A0A087YAL0_POEFO Loading...

Actin-like 6A

AlphaFold DB , UniProt , Accession A0A087YAL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 343 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
1I82.4Confident91.8Very high95 Ų9575.5 Ų75.549%0.48741%0.408SS..  01430-69.9168000106.6E3 A34 W36 K41I1-E3 PolarHBondContact O-N 3.03Å; I1-A34 HydrophobicContact CG1-CB 4.17Å; I1-W36 VanDerWaalsContact CD1-CD1 3.4Å; I1-W36 HydrophobicContact CD1-CG 4.5Å; I1-K41 HydrophobicContact CG2-CD 3.35Å
2V87.9Confident91.8Very high38 Ų3871 Ų7123%0.2338%0.383CS..  trans-71.3121.7178-176.30000108.9W5 F8 K41V2-W5 HydrophobicContact CB-CH2 4.18Å; V2-W5 HydrophobicContact CB-CZ2 4.13Å; V2-W5 HydrophobicContact CB-CZ3 4.45Å; V2-W5 HydrophobicContact CG1-CD2 3.8Å; V2-W5 HydrophobicContact CG1-CE3 3.91Å; V2-W5 HydrophobicContact CG1-CG 4.3Å; V2-W5 HydrophobicContact CG1-CH2 4.25Å; V2-W5 HydrophobicContact CG1-CZ2 4.14Å; V2-W5 HydrophobicContact CG1-CZ3 4.13Å; V2-F8 HydrophobicContact CG1-CB 3.88Å; V2-F8 HydrophobicContact CG1-CD1 4.43Å; V2-F8 HydrophobicContact CG1-CD2 4.47Å; V2-F8 HydrophobicContact CG1-CG 4.02Å; V2-F8 HydrophobicContact CG2-CD2 4.08Å; V2-F8 HydrophobicContact CG2-CE2 4.2Å; V2-F8 HydrophobicContact CG2-CG 4.33Å; V2-K41 WeakPolarHBondContact O-CE 3.25Å; V2-K41 PolarHBondContact O-NZ 2.94Å
3E90.6Very high91.9Very high134 Ų13470.5 Ų70.563%0.62638%0.38SS*.  trans-106.1-48.2174.4-59.6-53.5142.500110.5I1 K41I1-E3 PolarHBondContact O-N 3.03Å; E3-K41 IonicContact OE1-NZ 2.68Å; E3-K41 PolarHBondContact OE1-NZ 3.41Å; E3-K41 IonicContact OE2-NZ 3.67Å; E3-K41 PolarHBondContact OE2-NZ 3.21Å
4D93.5Very high92.1Very high81 Ų8172.8 Ų72.843%0.43339%0.387SS..  trans-99.9111.5176.9-177.1-12.1000110.3D6 S7 F8D4-D6 PolarHBondContact OD1-N 2.98Å; D4-S7 VanDerWaalsContact CG-CB 3.5Å; D4-S7 VanDerWaalsContact CG-OG 3.29Å; D4-S7 PolarHBondContact OD1-N 3.03Å; D4-S7 WeakPolarHBondContact OD2-CB 3.43Å; D4-S7 PolarHBondContact OD2-OG 2.87Å; D4-F8 WeakPolarHBondContact O-CB 3.19Å; D4-F8 PolarHBondContact O-N 2.92Å
5W92.9Very high92.1Very high29 Ų2970.4 Ų70.411%0.1138%0.376CS..Hα-helixtrans-82.5-29-177.2-67.386.4000112.8V2 F8 Q9 K41 K44 L45 L48V2-W5 HydrophobicContact CB-CH2 4.18Å; V2-W5 HydrophobicContact CB-CZ2 4.13Å; V2-W5 HydrophobicContact CB-CZ3 4.45Å; V2-W5 HydrophobicContact CG1-CD2 3.8Å; V2-W5 HydrophobicContact CG1-CE3 3.91Å; V2-W5 HydrophobicContact CG1-CG 4.3Å; V2-W5 HydrophobicContact CG1-CH2 4.25Å; V2-W5 HydrophobicContact CG1-CZ2 4.14Å; V2-W5 HydrophobicContact CG1-CZ3 4.13Å; W5-F8 HydrophobicContact CE3-CD1 4.23Å; W5-F8 HydrophobicContact CZ3-CD1 4.4Å; W5-F8 PolarHBondContact O-N 3.34Å; W5-Q9 WeakPolarHBondContact O-CB 3.42Å; W5-Q9 PolarHBondContact O-N 3.09Å; W5-K41 WeakPolarHBondContact CH2-O 3.38Å; W5-K41 HydrophobicContact CZ2-CB 4.14Å; W5-K41 HydrophobicContact CZ2-CG 4.23Å; W5-K44 HydrophobicContact CD2-CD 3.81Å; W5-K44 HydrophobicContact CD2-CG 4.09Å; W5-K44 HydrophobicContact CE3-CD 4.47Å; W5-K44 HydrophobicContact CE3-CG 4.26Å; W5-K44 HydrophobicContact CG-CD 4.08Å; W5-K44 VanDerWaalsContact CG-CE 3.43Å; W5-K44 VanDerWaalsContact CG-NZ 3.3Å; W5-K44 HydrophobicContact CH2-CB 4.15Å; W5-K44 HydrophobicContact CH2-CG 4.18Å; W5-K44 HydrophobicContact CZ2-CB 4.05Å; W5-K44 HydrophobicContact CZ2-CD 3.98Å; W5-K44 HydrophobicContact CZ2-CG 4.02Å; W5-K44 HydrophobicContact CZ3-CG 4.3Å; W5-L45 HydrophobicContact CH2-CB 3.91Å; W5-L45 HydrophobicContact CZ3-CB 4.03Å; W5-L45 HydrophobicContact CZ3-CD1 3.99Å; W5-L48 HydrophobicContact CE3-CD2 4.22Å
6D93.7Very high92.1Very high130 Ų13067.5 Ų67.570%0.69536%0.358SS*.Hα-helixtrans-71.5-45.5-179.8-59.5-31.8000109.3D4 F8 Q9 A10D4-D6 PolarHBondContact OD1-N 2.98Å; D6-F8 VanDerWaalsContact C-N 3.31Å; D6-F8 PolarHBondContact O-N 2.8Å; D6-Q9 PolarHBondContact O-N 3.14Å; D6-A10 PolarHBondContact O-N 3.15Å
7S92.8Very high92Very high61 Ų6173.4 Ų73.443%0.42738%0.38SS..Hα-helixtrans-62.3-39.3172.2-68.20000111.9D4 A10 I11D4-S7 VanDerWaalsContact CG-CB 3.5Å; D4-S7 VanDerWaalsContact CG-OG 3.29Å; D4-S7 PolarHBondContact OD1-N 3.03Å; D4-S7 WeakPolarHBondContact OD2-CB 3.43Å; D4-S7 PolarHBondContact OD2-OG 2.87Å; S7-A10 PolarHBondContact O-N 2.8Å; S7-I11 WeakPolarHBondContact O-CD1 3.42Å; S7-I11 VanDerWaalsContact O-CG1 3.27Å; S7-I11 WeakPolarHBondContact O-CG1 3.47Å; S7-I11 PolarHBondContact O-N 2.77Å
8F94.1Very high92Very high43 Ų4375 Ų7519%0.18939%0.387CS..Hα-helixtrans-63.6-44.4176.9179.2-108.4000112V2 D4 W5 D6 I11 L12 M31 L45 L48V2-F8 HydrophobicContact CG1-CB 3.88Å; V2-F8 HydrophobicContact CG1-CD1 4.43Å; V2-F8 HydrophobicContact CG1-CD2 4.47Å; V2-F8 HydrophobicContact CG1-CG 4.02Å; V2-F8 HydrophobicContact CG2-CD2 4.08Å; V2-F8 HydrophobicContact CG2-CE2 4.2Å; V2-F8 HydrophobicContact CG2-CG 4.33Å; D4-F8 WeakPolarHBondContact O-CB 3.19Å; D4-F8 PolarHBondContact O-N 2.92Å; W5-F8 HydrophobicContact CE3-CD1 4.23Å; W5-F8 HydrophobicContact CZ3-CD1 4.4Å; W5-F8 PolarHBondContact O-N 3.34Å; D6-F8 VanDerWaalsContact C-N 3.31Å; D6-F8 PolarHBondContact O-N 2.8Å; F8-I11 PolarHBondContact O-N 3.13Å; F8-L12 HydrophobicContact CD1-CD1 3.95Å; F8-L12 HydrophobicContact CE1-CD1 3.39Å; F8-L12 HydrophobicContact CE1-CG 4.14Å; F8-L12 HydrophobicContact CE2-CD1 4.46Å; F8-L12 HydrophobicContact CE2-CG 4.4Å; F8-L12 HydrophobicContact CZ-CD1 3.68Å; F8-L12 HydrophobicContact CZ-CD2 4.31Å; F8-L12 HydrophobicContact CZ-CG 4.08Å; F8-L12 PolarHBondContact O-N 3.1Å; F8-M31 HydrophobicContact CZ-CE 4.26Å; F8-M31 HydrophobicContact CZ-SD 4.4Å; F8-L45 HydrophobicContact CE1-CD1 3.59Å; F8-L45 HydrophobicContact CZ-CD1 3.95Å; F8-L48 HydrophobicContact CD1-CD2 3.93Å; F8-L48 HydrophobicContact CE1-CD2 4.04Å
9Q93.5Very high92Very high54 Ų5477.8 Ų77.825%0.25240%0.398SS..Hα-helixtrans-62.1-44.6175.9-166.4-176.3-53.300111.1W5 D6 I11 L12 D13 L48 H52 Y53W5-Q9 WeakPolarHBondContact O-CB 3.42Å; W5-Q9 PolarHBondContact O-N 3.09Å; D6-Q9 PolarHBondContact O-N 3.14Å; Q9-I11 VanDerWaalsContact C-N 3.27Å; Q9-I11 PolarHBondContact O-N 3.44Å; Q9-L12 PolarHBondContact O-N 2.84Å; Q9-L12 VanDerWaalsContact O-N 3.1Å; Q9-D13 WeakPolarHBondContact O-CB 3.32Å; Q9-D13 PolarHBondContact O-N 3.29Å; Q9-L48 HydrophobicContact CG-CD1 4.4Å; Q9-H52 PolarHBondContact NE2-CE1 3.12Å; Q9-H52 PolarHBondContact NE2-NE2 2.83Å; Q9-H52 VanDerWaalsContact NE2-NE2 3.13Å; Q9-Y53 HydrophobicContact CG-CE2 4.47Å; Q9-Y53 WeakPolarHBondContact CG-OH 3.44Å; Q9-Y53 PolarHBondContact O-OH 2.66Å
10A94.1Very high91.8Very high59 Ų5980.5 Ų80.549%0.48841%0.407SS..Hα-helixtrans-59.6-36.9176.500000112.8D6 S7 H14D6-A10 PolarHBondContact O-N 3.15Å; S7-A10 PolarHBondContact O-N 2.8Å; A10-H14 WeakPolarHBondContact O-CB 3.29Å; A10-H14 PolarHBondContact O-N 2.99Å
11I93.9Very high91.7Very high107 Ų10784.7 Ų84.755%0.54942%0.423SS..Hα-helixtrans-67-44.4174.6-68.9163.9000110.8S7 F8 Q9 H14 T15S7-I11 WeakPolarHBondContact O-CD1 3.42Å; S7-I11 VanDerWaalsContact O-CG1 3.27Å; S7-I11 WeakPolarHBondContact O-CG1 3.47Å; S7-I11 PolarHBondContact O-N 2.77Å; F8-I11 PolarHBondContact O-N 3.13Å; Q9-I11 VanDerWaalsContact C-N 3.27Å; Q9-I11 PolarHBondContact O-N 3.44Å; I11-H14 PolarHBondContact O-N 3.32Å; I11-T15 WeakPolarHBondContact O-CB 3.41Å; I11-T15 PolarHBondContact O-N 3.48Å; I11-T15 PolarHBondContact O-OG1 2.69Å
12L92.7Very high92.1Very high21 Ų2182.1 Ų82.111%0.1141%0.413CS..Hα-helixtrans-63.8-45.9177.8-73.8-179.1000111.6F8 Q9 H14 T15 Y16 M31 M49 Y53F8-L12 HydrophobicContact CD1-CD1 3.95Å; F8-L12 HydrophobicContact CE1-CD1 3.39Å; F8-L12 HydrophobicContact CE1-CG 4.14Å; F8-L12 HydrophobicContact CE2-CD1 4.46Å; F8-L12 HydrophobicContact CE2-CG 4.4Å; F8-L12 HydrophobicContact CZ-CD1 3.68Å; F8-L12 HydrophobicContact CZ-CD2 4.31Å; F8-L12 HydrophobicContact CZ-CG 4.08Å; F8-L12 PolarHBondContact O-N 3.1Å; Q9-L12 PolarHBondContact O-N 2.84Å; Q9-L12 VanDerWaalsContact O-N 3.1Å; L12-H14 VanDerWaalsContact C-N 3.3Å; L12-H14 PolarHBondContact O-N 3.33Å; L12-T15 CarbonylContact O-C 3.54Å; L12-T15 WeakPolarHBondContact O-CA 3.24Å; L12-T15 WeakPolarHBondContact O-CB 3.12Å; L12-T15 PolarHBondContact O-N 2.9Å; L12-Y16 VanDerWaalsContact O-CD2 3.28Å; L12-Y16 WeakPolarHBondContact O-CD2 3.47Å; L12-Y16 PolarHBondContact O-N 3.17Å; L12-M31 HydrophobicContact CD1-CE 4.15Å; L12-M31 HydrophobicContact CD2-CE 3.9Å; L12-M49 HydrophobicContact CD1-SD 4.13Å; L12-Y53 HydrophobicContact CB-CE2 4.38Å; L12-Y53 VanDerWaalsContact CB-OH 3.29Å; L12-Y53 WeakPolarHBondContact CB-OH 3.34Å; L12-Y53 HydrophobicContact CD1-CE2 3.77Å
13D93.1Very high92.1Very high64 Ų6486.2 Ų86.234%0.34243%0.43SS..Hα-helixtrans-58.3-44.8177.2-67.7-11000111Q9 T15 K17 Y53Q9-D13 WeakPolarHBondContact O-CB 3.32Å; Q9-D13 PolarHBondContact O-N 3.29Å; D13-T15 VanDerWaalsContact C-N 3.31Å; D13-T15 PolarHBondContact O-N 3.33Å; D13-K17 WeakPolarHBondContact O-CB 3.46Å; D13-K17 PolarHBondContact O-N 3Å; D13-Y53 WeakPolarHBondContact OD1-CE1 3.19Å; D13-Y53 VanDerWaalsContact OD1-CZ 3.29Å; D13-Y53 PolarHBondContact OD1-OH 3.45Å
14H93.8Very high92.1Very high103 Ų10381 Ų8148%0.47741%0.408SS..Hα-helixtrans-60.8-42173.6-174.586.2000111.6A10 I11 L12 K17 M18A10-H14 WeakPolarHBondContact O-CB 3.29Å; A10-H14 PolarHBondContact O-N 2.99Å; I11-H14 PolarHBondContact O-N 3.32Å; L12-H14 VanDerWaalsContact C-N 3.3Å; L12-H14 PolarHBondContact O-N 3.33Å; H14-K17 PolarHBondContact O-N 3.13Å; H14-M18 VanDerWaalsContact O-CB 3.25Å; H14-M18 WeakPolarHBondContact O-CB 3.38Å; H14-M18 WeakPolarHBondContact O-CG 3.37Å; H14-M18 PolarHBondContact O-N 3.32Å
15T92.8Very high92Very high37 Ų3779.1 Ų79.123%0.22740%0.4CS..Iπ-helixtrans-65.6-47.7-179-55.50000111.8I11 L12 D13 H19 F20I11-T15 WeakPolarHBondContact O-CB 3.41Å; I11-T15 PolarHBondContact O-N 3.48Å; I11-T15 PolarHBondContact O-OG1 2.69Å; L12-T15 CarbonylContact O-C 3.54Å; L12-T15 WeakPolarHBondContact O-CA 3.24Å; L12-T15 WeakPolarHBondContact O-CB 3.12Å; L12-T15 PolarHBondContact O-N 2.9Å; D13-T15 VanDerWaalsContact C-N 3.31Å; D13-T15 PolarHBondContact O-N 3.33Å; T15-H19 HydrophobicContact CG2-CB 4.4Å; T15-H19 WeakPolarHBondContact O-CA 3.43Å; T15-H19 WeakPolarHBondContact O-CB 3.38Å; T15-H19 PolarHBondContact O-N 3.49Å; T15-F20 HydrophobicContact CG2-CD2 4.03Å; T15-F20 HydrophobicContact CG2-CE2 3.64Å; T15-F20 HydrophobicContact CG2-CZ 3.94Å; T15-F20 PolarHBondContact O-N 3.31Å
16Y91.3Very high92Very high24 Ų2483.1 Ų83.19%0.09442%0.424CS..Iπ-helixtrans-62-44.4175.8-79.9-71000111.8L12 F20 K21 P24 V29 Y53L12-Y16 VanDerWaalsContact O-CD2 3.28Å; L12-Y16 WeakPolarHBondContact O-CD2 3.47Å; L12-Y16 PolarHBondContact O-N 3.17Å; Y16-F20 HydrophobicContact CD1-CB 4.45Å; Y16-F20 AromaticContact CD1-CD2 3.67Å; Y16-F20 HydrophobicContact CD1-CD2 3.67Å; Y16-F20 HydrophobicContact CD1-CE2 4.49Å; Y16-F20 AromaticContact CE1-CD2 3.85Å; Y16-F20 HydrophobicContact CE1-CD2 3.85Å; Y16-F20 HydrophobicContact CE1-CE2 4.34Å; Y16-F20 HydrophobicContact CG-CD2 4.24Å; Y16-K21 WeakPolarHBondContact O-CA 3.4Å; Y16-K21 PolarHBondContact O-N 3.23Å; Y16-P24 HydrophobicContact CD1-CB 4.21Å; Y16-P24 HydrophobicContact CD1-CG 3.69Å; Y16-P24 HydrophobicContact CD2-CG 3.92Å; Y16-P24 HydrophobicContact CE1-CB 3.78Å; Y16-P24 HydrophobicContact CE1-CG 3.79Å; Y16-P24 HydrophobicContact CE2-CB 4.23Å; Y16-P24 HydrophobicContact CE2-CG 4.01Å; Y16-P24 HydrophobicContact CG-CG 3.78Å; Y16-V29 WeakPolarHBondContact OH-CG2 3.43Å; Y16-Y53 HydrophobicContact CD2-CD1 4.49Å; Y16-Y53 HydrophobicContact CD2-CE1 4.29Å; Y16-Y53 HydrophobicContact CE2-CD1 4.34Å; Y16-Y53 HydrophobicContact CE2-CE1 4.41Å
17K90.9Very high91.8Very high167 Ų16781.1 Ų81.173%0.72641%0.41SS*.Iπ-helixtrans-71.6-44.5-176.7-172.9174.9-178.2175.70113.5D13 H14D13-K17 WeakPolarHBondContact O-CB 3.46Å; D13-K17 PolarHBondContact O-N 3Å; H14-K17 PolarHBondContact O-N 3.13Å
18M92.6Very high91.8Very high103 Ų10381.6 Ų81.651%0.50741%0.411SS..Iπ-helixtrans-96.3-36.4-170-62.5-60.9-67.400113.4H14 K21H14-M18 VanDerWaalsContact O-CB 3.25Å; H14-M18 WeakPolarHBondContact O-CB 3.38Å; H14-M18 WeakPolarHBondContact O-CG 3.37Å; H14-M18 PolarHBondContact O-N 3.32Å; M18-K21 WeakPolarHBondContact O-CE 3.43Å
19H91.6Very high91.8Very high129 Ų12980.4 Ų80.460%0.59741%0.407SS*.Iπ-helixtrans-102.5-54.3-172.2-66.2-69.7000112.7T15T15-H19 HydrophobicContact CG2-CB 4.4Å; T15-H19 WeakPolarHBondContact O-CA 3.43Å; T15-H19 WeakPolarHBondContact O-CB 3.38Å; T15-H19 PolarHBondContact O-N 3.49Å
20F88.6Confident91.8Very high130 Ų13079.7 Ų79.757%0.5741%0.405SS*.Iπ-helixtrans-76.1-36.8-179.5-61.6-37.8000112.8T15 Y16 S22T15-F20 HydrophobicContact CG2-CD2 4.03Å; T15-F20 HydrophobicContact CG2-CE2 3.64Å; T15-F20 HydrophobicContact CG2-CZ 3.94Å; T15-F20 PolarHBondContact O-N 3.31Å; Y16-F20 HydrophobicContact CD1-CB 4.45Å; Y16-F20 AromaticContact CD1-CD2 3.67Å; Y16-F20 HydrophobicContact CD1-CD2 3.67Å; Y16-F20 HydrophobicContact CD1-CE2 4.49Å; Y16-F20 AromaticContact CE1-CD2 3.85Å; Y16-F20 HydrophobicContact CE1-CD2 3.85Å; Y16-F20 HydrophobicContact CE1-CE2 4.34Å; Y16-F20 HydrophobicContact CG-CD2 4.24Å; F20-S22 PolarHBondContact O-N 2.98Å
21K89.8Confident91.8Very high170 Ų17078.1 Ų78.174%0.73939%0.388SS*.  trans54.133.9-178-57177.3179.6176.90112.6Y16 M18Y16-K21 WeakPolarHBondContact O-CA 3.4Å; Y16-K21 PolarHBondContact O-N 3.23Å; M18-K21 WeakPolarHBondContact O-CE 3.43Å
22S89.6Confident91.8Very high41 Ų4176.1 Ų76.129%0.28738%0.384SS..SBendtrans-134.6157.3174.778.50000111F20 H27F20-S22 PolarHBondContact O-N 2.98Å; S22-H27 PolarHBondContact OG-CD2 3.01Å; S22-H27 PolarHBondContact OG-NE2 3.46Å
23E89.2Confident91.7Very high124 Ų12475.6 Ų75.658%0.57938%0.381SS*.  trans-73132.3176-67.8-175.5176.800110.3S25 L26E23-S25 PolarHBondContact O-N 3.04Å; E23-L26 HydrophobicContact CB-CD1 4.11Å; E23-L26 HydrophobicContact CB-CG 4.15Å; E23-L26 PolarHBondContact O-N 2.99Å
24P90.1Very high91.6Very high25 Ų2573.7 Ų73.716%0.16237%0.374CS..G310 helixtrans-57.4-32.2178.9-2128.2000113.4Y16 L26 H27 Y53 I55Y16-P24 HydrophobicContact CD1-CB 4.21Å; Y16-P24 HydrophobicContact CD1-CG 3.69Å; Y16-P24 HydrophobicContact CD2-CG 3.92Å; Y16-P24 HydrophobicContact CE1-CB 3.78Å; Y16-P24 HydrophobicContact CE1-CG 3.79Å; Y16-P24 HydrophobicContact CE2-CB 4.23Å; Y16-P24 HydrophobicContact CE2-CG 4.01Å; Y16-P24 HydrophobicContact CG-CG 3.78Å; P24-L26 PolarHBondContact O-N 3.23Å; P24-L26 VanDerWaalsContact O-N 3.14Å; P24-H27 PolarHBondContact O-N 3.49Å; P24-Y53 HydrophobicContact CB-CD1 4.27Å; P24-Y53 HydrophobicContact CG-CD1 3.89Å; P24-I55 HydrophobicContact CB-CG2 4.18Å
25S91.9Very high91.3Very high40 Ų4069.1 Ų69.128%0.2835%0.354SS..G310 helixtrans-63.9-15.4-179.554.50000114.9E23 N54 P56E23-S25 PolarHBondContact O-N 3.04Å; S25-N54 VanDerWaalsContact CA-O 3.29Å; S25-N54 WeakPolarHBondContact CA-O 3.43Å; S25-N54 WeakPolarHBondContact CB-O 3.28Å; S25-P56 WeakPolarHBondContact O-CD 3.41Å
26L91.4Very high91Very high114 Ų11471.5 Ų71.560%0.59736%0.359SS*.G310 helixtrans-90.8-11.6-177.9-60.6177.3000113E23 P24E23-L26 HydrophobicContact CB-CD1 4.11Å; E23-L26 HydrophobicContact CB-CG 4.15Å; E23-L26 PolarHBondContact O-N 2.99Å; P24-L26 PolarHBondContact O-N 3.23Å; P24-L26 VanDerWaalsContact O-N 3.14Å
27H91.3Very high90.9Very high87 Ų8771.8 Ų71.840%0.40336%0.362SS..SBendtrans-134.7134.1-167.5-58.1-70.1000113.1S22 P24 P56S22-H27 PolarHBondContact OG-CD2 3.01Å; S22-H27 PolarHBondContact OG-NE2 3.46Å; P24-H27 PolarHBondContact O-N 3.49Å; H27-P56 VanDerWaalsContact O-CD 3.27Å; H27-P56 WeakPolarHBondContact O-CD 3.36Å
28P92.6Very high90.9Very high71 Ų7167.2 Ų67.246%0.46135%0.348SS..  trans-66.2145169.930.1-34.4000110.5A57 W324P28-A57 CarbonylContact C-O 3.54Å; P28-A57 VanDerWaalsContact CA-O 3.26Å; P28-A57 WeakPolarHBondContact CA-O 3.49Å; P28-A57 HydrophobicContact CB-CB 3.98Å; P28-W324 HydrophobicContact CB-CD2 4.49Å; P28-W324 HydrophobicContact CB-CE3 3.94Å; P28-W324 HydrophobicContact CB-CH2 4.05Å; P28-W324 HydrophobicContact CB-CZ3 3.7Å
29V93.5Very high90.8Very high18 Ų1868.3 Ų68.311%0.10935%0.346CS..EExtended strand (participates in β ladder)trans-120.2118.3-175.2-177.90000112Y16 M31 M49 I55 A57 F58 F59 W324Y16-V29 WeakPolarHBondContact OH-CG2 3.43Å; V29-M31 HydrophobicContact CG1-CE 4.18Å; V29-M31 HydrophobicContact CG1-CG 3.97Å; V29-M49 HydrophobicContact CB-CE 4.06Å; V29-M49 HydrophobicContact CG1-CE 3.83Å; V29-M49 HydrophobicContact CG2-CE 3.99Å; V29-I55 HydrophobicContact CB-CD1 3.96Å; V29-I55 HydrophobicContact CG2-CB 4.4Å; V29-I55 HydrophobicContact CG2-CD1 4.19Å; V29-I55 HydrophobicContact CG2-CG2 3.87Å; V29-A57 PolarHBondContact N-O 2.88Å; V29-F58 HydrophobicContact CB-CD2 4.38Å; V29-F58 VanDerWaalsContact O-CD2 3.22Å; V29-F58 WeakPolarHBondContact O-CD2 3.18Å; V29-F59 PolarHBondContact O-N 3.3Å; V29-F59 VanDerWaalsContact O-N 3.09Å; V29-W324 WeakPolarHBondContact O-CZ3 3.28Å
30L93.3Very high90.8Very high39 Ų3965.5 Ų65.520%0.20435%0.345CS..EExtended strand (participates in β ladder)trans-95.2124.8169.1-172.3153.9000109F59 L66 L314 A315 F320 W324L30-F59 WeakPolarHBondContact CA-O 3.41Å; L30-F59 HydrophobicContact CD1-CD1 4.48Å; L30-L66 HydrophobicContact CD2-CD1 4.13Å; L30-L314 HydrophobicContact CD1-CD2 4.09Å; L30-L314 HydrophobicContact CD1-CG 4.35Å; L30-A315 HydrophobicContact CD1-CB 4.24Å; L30-F320 HydrophobicContact CD1-CE1 4.02Å; L30-W324 HydrophobicContact CB-CH2 3.69Å; L30-W324 HydrophobicContact CB-CZ2 4.46Å; L30-W324 HydrophobicContact CB-CZ3 4.28Å
31M94Very high91Very high26 Ų2661.4 Ų61.413%0.12833%0.328CS..EExtended strand (participates in β ladder)trans-115.3146.2172.4-73.5-167.6166.700111.6F8 L12 V29 L45 M49 F58 F59 L60 C61F8-M31 HydrophobicContact CZ-CE 4.26Å; F8-M31 HydrophobicContact CZ-SD 4.4Å; L12-M31 HydrophobicContact CD1-CE 4.15Å; L12-M31 HydrophobicContact CD2-CE 3.9Å; V29-M31 HydrophobicContact CG1-CE 4.18Å; V29-M31 HydrophobicContact CG1-CG 3.97Å; M31-L45 HydrophobicContact SD-CD1 3.86Å; M31-L45 HydrophobicContact SD-CD2 4.03Å; M31-L45 HydrophobicContact SD-CG 4.25Å; M31-M49 HydrophobicContact CE-CE 3.95Å; M31-M49 HydrophobicContact CE-SD 3.65Å; M31-M49 HydrophobicContact SD-CG 4.45Å; M31-M49 HydrophobicContact SD-SD 4.26Å; M31-F58 HydrophobicContact CB-CE2 4.12Å; M31-F58 HydrophobicContact CB-CZ 4.27Å; M31-F58 HydrophobicContact CG-CE2 3.98Å; M31-F58 HydrophobicContact SD-CE2 4.15Å; M31-F58 HydrophobicContact SD-CZ 4.47Å; M31-F59 PolarHBondContact N-O 3.3Å; M31-L60 HydrophobicContact CB-CD1 3.88Å; M31-L60 WeakPolarHBondContact O-CA 3.23Å; M31-C61 PolarHBondContact O-N 2.66Å
32S93.1Very high91.1Very high65 Ų6554 Ų5446%0.45530%0.295SS..EExtended strand (participates in β ladder)trans-93.7146.7171.976.90000110.9C61S32-C61 CarbonylContact C-O 3.54Å; S32-C61 VanDerWaalsContact CA-O 3.23Å; S32-C61 WeakPolarHBondContact CA-O 3.15Å
33E92.6Very high91.3Very high10 Ų1053.2 Ų53.25%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-135.6158.2174.865.9171.516700113.3N37 R42 L60 C61 K62 S63E33-N37 VanDerWaalsContact OE2-CB 3.3Å; E33-N37 WeakPolarHBondContact OE2-CB 3.18Å; E33-N37 PolarHBondContact OE2-ND2 3.01Å; E33-R42 IonicContact OE1-CZ 2.8Å; E33-R42 IonicContact OE1-NE 2.66Å; E33-R42 PolarHBondContact OE1-NE 3.02Å; E33-R42 IonicContact OE1-NH2 3.09Å; E33-R42 PolarHBondContact OE1-NH2 3.22Å; E33-R42 WeakPolarHBondContact OE2-CG 3.34Å; E33-R42 IonicContact OE2-NE 2.8Å; E33-R42 PolarHBondContact OE2-NE 2.75Å; E33-R42 VanDerWaalsContact OE2-NE 3.13Å; E33-L60 HydrophobicContact CB-CD1 3.96Å; E33-L60 HydrophobicContact CB-CG 4.24Å; E33-L60 VanDerWaalsContact CD-CD2 3.46Å; E33-L60 HydrophobicContact CG-CD1 4.12Å; E33-L60 HydrophobicContact CG-CD2 4.29Å; E33-L60 HydrophobicContact CG-CG 3.88Å; E33-L60 WeakPolarHBondContact OE2-CD2 3.48Å; E33-C61 PolarHBondContact N-O 3.44Å; E33-K62 VanDerWaalsContact CD-NZ 3.29Å; E33-K62 HydrophobicContact CG-CD 3.61Å; E33-K62 CarbonylContact O-C 3.49Å; E33-K62 WeakPolarHBondContact O-CA 3.47Å; E33-K62 VanDerWaalsContact OE1-CD 3.31Å; E33-K62 WeakPolarHBondContact OE1-CD 3.29Å; E33-K62 WeakPolarHBondContact OE1-CE 3.42Å; E33-K62 IonicContact OE1-NZ 3.61Å; E33-K62 PolarHBondContact OE1-NZ 3.21Å; E33-K62 IonicContact OE2-NZ 3.59Å; E33-S63 PolarHBondContact O-N 2.68Å; E33-S63 PolarHBondContact O-OG 3.18Å
34A89.8Confident91.5Very high25 Ų2552 Ų5221%0.20728%0.28CS..  trans-66.4144.817100000111.2I1 W36 N37I1-A34 HydrophobicContact CG1-CB 4.17Å; A34-W36 HydrophobicContact CB-CD2 4.01Å; A34-W36 HydrophobicContact CB-CE3 4.38Å; A34-W36 HydrophobicContact CB-CH2 4.39Å; A34-W36 HydrophobicContact CB-CZ2 4.03Å; A34-W36 PolarHBondContact O-N 2.98Å; A34-N37 WeakPolarHBondContact O-CB 3.4Å; A34-N37 PolarHBondContact O-N 3.21Å; A34-N37 VanDerWaalsContact O-N 3.08Å
35S86.9Confident91.7Very high7 Ų751.4 Ų51.45%0.04928%0.275CS..THydrogen-bonded Turntrans-62.2-17.6-179.8-57.70000114.3
36W87Confident91.8Very high87 Ų8749.5 Ų49.533%0.3326%0.262SS..THydrogen-bonded Turntrans-109.622.717958.293.9000113.3I1 A34 T91 I93 I106 K108I1-W36 VanDerWaalsContact CD1-CD1 3.4Å; I1-W36 HydrophobicContact CD1-CG 4.5Å; A34-W36 HydrophobicContact CB-CD2 4.01Å; A34-W36 HydrophobicContact CB-CE3 4.38Å; A34-W36 HydrophobicContact CB-CH2 4.39Å; A34-W36 HydrophobicContact CB-CZ2 4.03Å; A34-W36 PolarHBondContact O-N 2.98Å; W36-T91 HydrophobicContact CH2-CG2 3.64Å; W36-T91 HydrophobicContact CZ3-CG2 3.94Å; W36-I93 HydrophobicContact CZ3-CD1 4.07Å; W36-I106 HydrophobicContact CE3-CG2 4.28Å; W36-K108 VanDerWaalsContact CB-NZ 3.27Å; W36-K108 HydrophobicContact CD2-CD 4.17Å; W36-K108 HydrophobicContact CE3-CD 4.15Å; W36-K108 HydrophobicContact CH2-CD 4.33Å; W36-K108 HydrophobicContact CZ2-CD 4.33Å; W36-K108 HydrophobicContact CZ3-CD 4.21Å
37N88.8Confident91.9Very high29 Ų2947.1 Ų47.116%0.15525%0.248CC..  trans-65.3146174.3-162.515.7000111E33 A34 R42E33-N37 VanDerWaalsContact OE2-CB 3.3Å; E33-N37 WeakPolarHBondContact OE2-CB 3.18Å; E33-N37 PolarHBondContact OE2-ND2 3.01Å; A34-N37 WeakPolarHBondContact O-CB 3.4Å; A34-N37 PolarHBondContact O-N 3.21Å; A34-N37 VanDerWaalsContact O-N 3.08Å; N37-R42 HydrophobicContact CB-CG 4.46Å
38T90.4Very high92Very high72 Ų7244.2 Ų44.244%0.44224%0.235SC..  trans-86.9143.7-178.358.90000111.1A40 K41 R42T38-A40 VanDerWaalsContact C-N 3.3Å; T38-A40 PolarHBondContact O-N 3.49Å; T38-K41 PolarHBondContact O-N 3.21Å; T38-K41 WeakPolarHBondContact OG1-CB 3.38Å; T38-K41 VanDerWaalsContact OG1-CG 3.3Å; T38-K41 WeakPolarHBondContact OG1-CG 3.33Å; T38-R42 WeakPolarHBondContact O-CG 3.29Å; T38-R42 PolarHBondContact O-N 3.28Å; T38-R42 VanDerWaalsContact O-N 3.12Å
39R90.7Very high92.1Very high125 Ų12540.9 Ų40.947%0.47221%0.213SC..Hα-helixtrans-43.7-51.4173.6177.9164.4178.3-178.10.9113.8K41 R42 E43 D339R39-K41 VanDerWaalsContact C-N 3.27Å; R39-K41 PolarHBondContact O-N 3.13Å; R39-R42 WeakPolarHBondContact O-CB 3.45Å; R39-R42 PolarHBondContact O-N 2.91Å; R39-E43 HydrophobicContact CG-CG 4.31Å; R39-E43 IonicContact CZ-OE1 2.7Å; R39-E43 IonicContact NE-OE1 2.89Å; R39-E43 PolarHBondContact NE-OE1 3.45Å; R39-E43 IonicContact NH2-OE1 3.13Å; R39-E43 PolarHBondContact NH2-OE1 2.97Å; R39-E43 VanDerWaalsContact NH2-OE1 3.09Å; R39-E43 WeakPolarHBondContact O-CG 3.27Å; R39-E43 PolarHBondContact O-N 3.17Å; R39-D339 WeakPolarHBondContact CD-OD2 3.26Å; R39-D339 VanDerWaalsContact CG-OD2 3.23Å; R39-D339 WeakPolarHBondContact CG-OD2 3.35Å; R39-D339 IonicContact CZ-OD2 2.73Å; R39-D339 IonicContact NE-OD2 2.69Å; R39-D339 PolarHBondContact NE-OD2 3.5Å; R39-D339 VanDerWaalsContact NE-OD2 3.17Å
40A91.6Very high92.1Very high70 Ų7040.1 Ų40.158%0.57921%0.208SC*.Hα-helixtrans-56.7-38.3-179.600000113.6T38 K44T38-A40 VanDerWaalsContact C-N 3.3Å; T38-A40 PolarHBondContact O-N 3.49Å; A40-K44 WeakPolarHBondContact O-CB 3.27Å; A40-K44 PolarHBondContact O-N 3.36Å
41K92.9Very high92.2Very high45 Ų4544.4 Ų44.420%0.19623%0.227CC..Hα-helixtrans-73.8-33.1177.1-70.5-178174.6-179.90112.2I1 V2 E3 W5 T38 R39 L45I1-K41 HydrophobicContact CG2-CD 3.35Å; V2-K41 WeakPolarHBondContact O-CE 3.25Å; V2-K41 PolarHBondContact O-NZ 2.94Å; E3-K41 IonicContact OE1-NZ 2.68Å; E3-K41 PolarHBondContact OE1-NZ 3.41Å; E3-K41 IonicContact OE2-NZ 3.67Å; E3-K41 PolarHBondContact OE2-NZ 3.21Å; W5-K41 WeakPolarHBondContact CH2-O 3.38Å; W5-K41 HydrophobicContact CZ2-CB 4.14Å; W5-K41 HydrophobicContact CZ2-CG 4.23Å; T38-K41 PolarHBondContact O-N 3.21Å; T38-K41 WeakPolarHBondContact OG1-CB 3.38Å; T38-K41 VanDerWaalsContact OG1-CG 3.3Å; T38-K41 WeakPolarHBondContact OG1-CG 3.33Å; R39-K41 VanDerWaalsContact C-N 3.27Å; R39-K41 PolarHBondContact O-N 3.13Å; K41-L45 WeakPolarHBondContact O-CB 3.22Å; K41-L45 PolarHBondContact O-N 3.22Å
42R93.2Very high92.1Very high13 Ų1348 Ų485%0.04924%0.243CC..Hα-helixtrans-66.3-47.6174.1-58.1174.687.4-154.45110.5E33 N37 T38 R39 K44 L45 T46 L60 V338 D339 C342E33-R42 IonicContact OE1-CZ 2.8Å; E33-R42 IonicContact OE1-NE 2.66Å; E33-R42 PolarHBondContact OE1-NE 3.02Å; E33-R42 IonicContact OE1-NH2 3.09Å; E33-R42 PolarHBondContact OE1-NH2 3.22Å; E33-R42 WeakPolarHBondContact OE2-CG 3.34Å; E33-R42 IonicContact OE2-NE 2.8Å; E33-R42 PolarHBondContact OE2-NE 2.75Å; E33-R42 VanDerWaalsContact OE2-NE 3.13Å; N37-R42 HydrophobicContact CB-CG 4.46Å; T38-R42 WeakPolarHBondContact O-CG 3.29Å; T38-R42 PolarHBondContact O-N 3.28Å; T38-R42 VanDerWaalsContact O-N 3.12Å; R39-R42 WeakPolarHBondContact O-CB 3.45Å; R39-R42 PolarHBondContact O-N 2.91Å; R42-K44 VanDerWaalsContact C-N 3.35Å; R42-K44 PolarHBondContact O-N 3.42Å; R42-L45 WeakPolarHBondContact O-CB 3.46Å; R42-L45 PolarHBondContact O-N 3.26Å; R42-T46 PolarHBondContact O-N 2.66Å; R42-T46 PolarHBondContact O-OG1 3.26Å; R42-L60 HydrophobicContact CB-CD2 4.06Å; R42-L60 HydrophobicContact CG-CD2 4.01Å; R42-V338 HydrophobicContact CB-CG1 4.01Å; R42-D339 IonicContact CZ-OD1 3.4Å; R42-D339 IonicContact NE-OD1 2.68Å; R42-D339 IonicContact NH1-OD1 2.65Å; R42-D339 PolarHBondContact NH1-OD1 3.15Å; R42-C342 PolarHBondContact NH1-O 2.62Å; R42-C342 PolarHBondContact NH2-O 3.19Å
43E93.4Very high92.1Very high26 Ų2645.5 Ų45.512%0.12122%0.224CC..Hα-helixtrans-59.9-44.3176.3-71.2-178.1176.500111.5R39 L45 T46 E47 K335 V338R39-E43 HydrophobicContact CG-CG 4.31Å; R39-E43 IonicContact CZ-OE1 2.7Å; R39-E43 IonicContact NE-OE1 2.89Å; R39-E43 PolarHBondContact NE-OE1 3.45Å; R39-E43 IonicContact NH2-OE1 3.13Å; R39-E43 PolarHBondContact NH2-OE1 2.97Å; R39-E43 VanDerWaalsContact NH2-OE1 3.09Å; R39-E43 WeakPolarHBondContact O-CG 3.27Å; R39-E43 PolarHBondContact O-N 3.17Å; E43-L45 PolarHBondContact O-N 3.38Å; E43-T46 PolarHBondContact O-N 3.03Å; E43-E47 WeakPolarHBondContact O-CB 3.43Å; E43-E47 PolarHBondContact O-N 3.36Å; E43-K335 HydrophobicContact CB-CB 4.11Å; E43-K335 HydrophobicContact CB-CD 3.96Å; E43-K335 HydrophobicContact CB-CG 3.9Å; E43-K335 HydrophobicContact CG-CB 4.42Å; E43-K335 HydrophobicContact CG-CG 4.11Å; E43-V338 HydrophobicContact CG-CG1 4.44Å
44K93.7Very high92.1Very high98 Ų9848.6 Ų48.643%0.42624%0.241SC..Hα-helixtrans-64.1-37.8176.2-174.1168178.9-1750113W5 A40 R42 L48W5-K44 HydrophobicContact CD2-CD 3.81Å; W5-K44 HydrophobicContact CD2-CG 4.09Å; W5-K44 HydrophobicContact CE3-CD 4.47Å; W5-K44 HydrophobicContact CE3-CG 4.26Å; W5-K44 HydrophobicContact CG-CD 4.08Å; W5-K44 VanDerWaalsContact CG-CE 3.43Å; W5-K44 VanDerWaalsContact CG-NZ 3.3Å; W5-K44 HydrophobicContact CH2-CB 4.15Å; W5-K44 HydrophobicContact CH2-CG 4.18Å; W5-K44 HydrophobicContact CZ2-CB 4.05Å; W5-K44 HydrophobicContact CZ2-CD 3.98Å; W5-K44 HydrophobicContact CZ2-CG 4.02Å; W5-K44 HydrophobicContact CZ3-CG 4.3Å; A40-K44 WeakPolarHBondContact O-CB 3.27Å; A40-K44 PolarHBondContact O-N 3.36Å; R42-K44 VanDerWaalsContact C-N 3.35Å; R42-K44 PolarHBondContact O-N 3.42Å; K44-L48 WeakPolarHBondContact O-CB 3.5Å; K44-L48 PolarHBondContact O-N 2.87Å
45L94.1Very high92.4Very high13 Ų1347.4 Ų47.47%0.06823%0.231CC..Hα-helixtrans-63.9-46.3174-177.262.9000111.1W5 F8 M31 K41 R42 E43 E47 L48 M49 F58 L60W5-L45 HydrophobicContact CH2-CB 3.91Å; W5-L45 HydrophobicContact CZ3-CB 4.03Å; W5-L45 HydrophobicContact CZ3-CD1 3.99Å; F8-L45 HydrophobicContact CE1-CD1 3.59Å; F8-L45 HydrophobicContact CZ-CD1 3.95Å; M31-L45 HydrophobicContact SD-CD1 3.86Å; M31-L45 HydrophobicContact SD-CD2 4.03Å; M31-L45 HydrophobicContact SD-CG 4.25Å; K41-L45 WeakPolarHBondContact O-CB 3.22Å; K41-L45 PolarHBondContact O-N 3.22Å; R42-L45 WeakPolarHBondContact O-CB 3.46Å; R42-L45 PolarHBondContact O-N 3.26Å; E43-L45 PolarHBondContact O-N 3.38Å; L45-E47 VanDerWaalsContact C-N 3.35Å; L45-E47 PolarHBondContact O-N 2.98Å; L45-L48 PolarHBondContact O-N 2.97Å; L45-M49 HydrophobicContact CD1-CG 4.34Å; L45-M49 VanDerWaalsContact O-CG 3.27Å; L45-M49 WeakPolarHBondContact O-CG 3.42Å; L45-M49 PolarHBondContact O-N 3.38Å; L45-F58 HydrophobicContact CD2-CZ 4.09Å; L45-F58 HydrophobicContact CG-CZ 4.12Å; L45-L60 HydrophobicContact CD2-CD1 3.81Å; L45-L60 HydrophobicContact CD2-CD2 4.46Å
46T93Very high92.7Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-60.8-44.2178.2-57.30000111.5R42 E43 M49 F50 F58 Y330 V338R42-T46 PolarHBondContact O-N 2.66Å; R42-T46 PolarHBondContact O-OG1 3.26Å; E43-T46 PolarHBondContact O-N 3.03Å; T46-M49 PolarHBondContact O-N 3.01Å; T46-F50 HydrophobicContact CG2-CD2 3.64Å; T46-F50 HydrophobicContact CG2-CE2 3.78Å; T46-F50 WeakPolarHBondContact O-CD2 3.47Å; T46-F50 PolarHBondContact O-N 2.95Å; T46-F58 HydrophobicContact CG2-CD1 4.28Å; T46-Y330 HydrophobicContact CG2-CD2 3.88Å; T46-Y330 HydrophobicContact CG2-CE2 3.87Å; T46-V338 HydrophobicContact CG2-CB 4.45Å; T46-V338 WeakPolarHBondContact OG1-CB 3.13Å
47E93.7Very high93Very high64 Ų6446.1 Ų46.130%0.29924%0.235SC..Hα-helixtrans-58.4-50175-168.9179.1134.600111.3E43 L45 M49 F50 E51 K335E43-E47 WeakPolarHBondContact O-CB 3.43Å; E43-E47 PolarHBondContact O-N 3.36Å; L45-E47 VanDerWaalsContact C-N 3.35Å; L45-E47 PolarHBondContact O-N 2.98Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 2.88Å; E47-F50 PolarHBondContact O-N 2.9Å; E47-E51 HydrophobicContact CG-CG 4.23Å; E47-E51 VanDerWaalsContact O-CB 3.25Å; E47-E51 WeakPolarHBondContact O-CB 3.3Å; E47-E51 WeakPolarHBondContact O-CG 3.46Å; E47-E51 PolarHBondContact O-N 2.73Å; E47-K335 VanDerWaalsContact OE2-CD 3.29Å; E47-K335 WeakPolarHBondContact OE2-CD 3.44Å; E47-K335 IonicContact OE2-NZ 3.73Å; E47-K335 PolarHBondContact OE2-NZ 2.85Å
48L94.1Very high93.2Very high26 Ų2644.8 Ų44.814%0.13623%0.228CC..Iπ-helixtrans-57-45.1176.6-178.968.2000111.8W5 F8 Q9 K44 L45 H52 Y53W5-L48 HydrophobicContact CE3-CD2 4.22Å; F8-L48 HydrophobicContact CD1-CD2 3.93Å; F8-L48 HydrophobicContact CE1-CD2 4.04Å; Q9-L48 HydrophobicContact CG-CD1 4.4Å; K44-L48 WeakPolarHBondContact O-CB 3.5Å; K44-L48 PolarHBondContact O-N 2.87Å; L45-L48 PolarHBondContact O-N 2.97Å; L48-H52 HydrophobicContact CD1-CB 3.91Å; L48-H52 WeakPolarHBondContact O-CB 3.47Å; L48-H52 PolarHBondContact O-N 2.66Å; L48-H52 VanDerWaalsContact O-N 3.1Å; L48-Y53 HydrophobicContact CD1-CE2 4.3Å; L48-Y53 HydrophobicContact CD2-CE2 4.32Å; L48-Y53 HydrophobicContact CG-CD2 4.27Å; L48-Y53 HydrophobicContact CG-CE2 3.99Å; L48-Y53 PolarHBondContact O-N 3.38Å
49M94.4Very high93.3Very high0 Ų042 Ų420%021%0.21CC..Iπ-helixtrans-70.8-41.3-175.9-66.8-55.9-5800113.1L12 V29 M31 L45 T46 E47 Y53 N54 I55 F58L12-M49 HydrophobicContact CD1-SD 4.13Å; V29-M49 HydrophobicContact CB-CE 4.06Å; V29-M49 HydrophobicContact CG1-CE 3.83Å; V29-M49 HydrophobicContact CG2-CE 3.99Å; M31-M49 HydrophobicContact CE-CE 3.95Å; M31-M49 HydrophobicContact CE-SD 3.65Å; M31-M49 HydrophobicContact SD-CG 4.45Å; M31-M49 HydrophobicContact SD-SD 4.26Å; L45-M49 HydrophobicContact CD1-CG 4.34Å; L45-M49 VanDerWaalsContact O-CG 3.27Å; L45-M49 WeakPolarHBondContact O-CG 3.42Å; L45-M49 PolarHBondContact O-N 3.38Å; T46-M49 PolarHBondContact O-N 3.01Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 2.88Å; M49-Y53 HydrophobicContact CE-CD2 4.33Å; M49-Y53 CarbonylContact O-C 3.6Å; M49-Y53 WeakPolarHBondContact O-CB 3.41Å; M49-Y53 HydrophobicContact SD-CD2 3.79Å; M49-Y53 HydrophobicContact SD-CE2 4.28Å; M49-N54 PolarHBondContact O-N 3.13Å; M49-I55 HydrophobicContact CB-CD1 3.64Å; M49-I55 HydrophobicContact CB-CG1 4.3Å; M49-I55 HydrophobicContact CE-CD1 4.04Å; M49-I55 HydrophobicContact CE-CG2 3.99Å; M49-I55 WeakPolarHBondContact O-CG1 3.34Å; M49-I55 PolarHBondContact O-N 2.97Å; M49-F58 HydrophobicContact CB-CD2 4.25Å; M49-F58 HydrophobicContact CB-CE2 4.31Å; M49-F58 HydrophobicContact CG-CD2 4.29Å; M49-F58 HydrophobicContact CG-CE2 3.87Å; M49-F58 HydrophobicContact CG-CZ 4.32Å
50F94.3Very high93.4Very high3 Ų336.1 Ų36.11%0.01319%0.188CC..Iπ-helixtrans-81.6-40.8179.2-78.1-66000113.6T46 E47 N54 I55 F58 I325 K327 Y330T46-F50 HydrophobicContact CG2-CD2 3.64Å; T46-F50 HydrophobicContact CG2-CE2 3.78Å; T46-F50 WeakPolarHBondContact O-CD2 3.47Å; T46-F50 PolarHBondContact O-N 2.95Å; E47-F50 PolarHBondContact O-N 2.9Å; F50-N54 VanDerWaalsContact O-CA 3.24Å; F50-N54 WeakPolarHBondContact O-CA 3.47Å; F50-N54 PolarHBondContact O-N 2.83Å; F50-I55 HydrophobicContact CD1-CG1 3.9Å; F50-I55 WeakPolarHBondContact CD1-O 3.22Å; F50-I55 HydrophobicContact CE1-CG1 4.02Å; F50-I55 HydrophobicContact CG-CG1 4.45Å; F50-F58 HydrophobicContact CD2-CB 4.47Å; F50-F58 HydrophobicContact CE1-CB 4.29Å; F50-F58 HydrophobicContact CE2-CB 3.53Å; F50-F58 HydrophobicContact CE2-CD1 4.42Å; F50-F58 HydrophobicContact CE2-CG 4.32Å; F50-F58 HydrophobicContact CZ-CB 3.43Å; F50-F58 VanDerWaalsContact CZ-CB 3.43Å; F50-I325 HydrophobicContact CE2-CG2 3.97Å; F50-I325 HydrophobicContact CZ-CB 4.25Å; F50-I325 HydrophobicContact CZ-CG2 3.88Å; F50-I325 WeakPolarHBondContact CZ-O 3.43Å; F50-K327 HydrophobicContact CD1-CB 4.28Å; F50-K327 HydrophobicContact CD1-CG 4.25Å; F50-K327 HydrophobicContact CE1-CB 4.18Å; F50-Y330 HydrophobicContact CB-CD1 3.62Å; F50-Y330 HydrophobicContact CB-CD2 4.4Å; F50-Y330 HydrophobicContact CB-CE1 3.57Å; F50-Y330 HydrophobicContact CB-CE2 4.35Å; F50-Y330 HydrophobicContact CB-CG 4.04Å; F50-Y330 HydrophobicContact CD1-CD1 4.44Å; F50-Y330 HydrophobicContact CD1-CG 4.42Å; F50-Y330 HydrophobicContact CD2-CD1 4.02Å; F50-Y330 AromaticContact CD2-CD2 3.49Å; F50-Y330 HydrophobicContact CD2-CD2 3.49Å; F50-Y330 VanDerWaalsContact CD2-CD2 3.49Å; F50-Y330 HydrophobicContact CD2-CE1 4.45Å; F50-Y330 AromaticContact CD2-CE2 3.97Å; F50-Y330 HydrophobicContact CD2-CE2 3.97Å; F50-Y330 AromaticContact CD2-CG 3.51Å; F50-Y330 HydrophobicContact CD2-CG 3.51Å; F50-Y330 AromaticContact CE2-CD2 3.98Å; F50-Y330 HydrophobicContact CE2-CD2 3.98Å; F50-Y330 AromaticContact CE2-CG 3.98Å; F50-Y330 HydrophobicContact CE2-CG 3.98Å; F50-Y330 AromaticContact CG-CD1 3.8Å; F50-Y330 HydrophobicContact CG-CD1 3.8Å; F50-Y330 HydrophobicContact CG-CD2 4.15Å; F50-Y330 HydrophobicContact CG-CE1 4.22Å; F50-Y330 AromaticContact CG-CG 3.75Å; F50-Y330 HydrophobicContact CG-CG 3.75Å
51E93.8Very high93.4Very high129 Ų12933.3 Ų33.360%0.60316%0.164SC*.Iπ-helixtrans-84.7-44-174.3-59.7-171.7-175.500112.2E47 Y330E47-E51 HydrophobicContact CG-CG 4.23Å; E47-E51 VanDerWaalsContact O-CB 3.25Å; E47-E51 WeakPolarHBondContact O-CB 3.3Å; E47-E51 WeakPolarHBondContact O-CG 3.46Å; E47-E51 PolarHBondContact O-N 2.73Å; E51-Y330 HydrophobicContact CG-CE1 4.15Å; E51-Y330 WeakPolarHBondContact CG-OH 3.47Å; E51-Y330 PolarHBondContact OE1-OH 3.21Å
52H92.8Very high93.3Very high100 Ų10031.5 Ų31.546%0.46316%0.156SC..Iπ-helixtrans-84.6-49-178.3-170.774.3000112.1Q9 L48Q9-H52 PolarHBondContact NE2-CE1 3.12Å; Q9-H52 PolarHBondContact NE2-NE2 2.83Å; Q9-H52 VanDerWaalsContact NE2-NE2 3.13Å; L48-H52 HydrophobicContact CD1-CB 3.91Å; L48-H52 WeakPolarHBondContact O-CB 3.47Å; L48-H52 PolarHBondContact O-N 2.66Å; L48-H52 VanDerWaalsContact O-N 3.1Å
53Y92.6Very high93.2Very high14 Ų1432.3 Ų32.36%0.05516%0.163CC..SBendtrans-89.3-9.5-176.9-67-69.4000114Q9 L12 D13 Y16 P24 L48 M49 I55Q9-Y53 HydrophobicContact CG-CE2 4.47Å; Q9-Y53 WeakPolarHBondContact CG-OH 3.44Å; Q9-Y53 PolarHBondContact O-OH 2.66Å; L12-Y53 HydrophobicContact CB-CE2 4.38Å; L12-Y53 VanDerWaalsContact CB-OH 3.29Å; L12-Y53 WeakPolarHBondContact CB-OH 3.34Å; L12-Y53 HydrophobicContact CD1-CE2 3.77Å; D13-Y53 WeakPolarHBondContact OD1-CE1 3.19Å; D13-Y53 VanDerWaalsContact OD1-CZ 3.29Å; D13-Y53 PolarHBondContact OD1-OH 3.45Å; Y16-Y53 HydrophobicContact CD2-CD1 4.49Å; Y16-Y53 HydrophobicContact CD2-CE1 4.29Å; Y16-Y53 HydrophobicContact CE2-CD1 4.34Å; Y16-Y53 HydrophobicContact CE2-CE1 4.41Å; P24-Y53 HydrophobicContact CB-CD1 4.27Å; P24-Y53 HydrophobicContact CG-CD1 3.89Å; L48-Y53 HydrophobicContact CD1-CE2 4.3Å; L48-Y53 HydrophobicContact CD2-CE2 4.32Å; L48-Y53 HydrophobicContact CG-CD2 4.27Å; L48-Y53 HydrophobicContact CG-CE2 3.99Å; L48-Y53 PolarHBondContact O-N 3.38Å; M49-Y53 HydrophobicContact CE-CD2 4.33Å; M49-Y53 CarbonylContact O-C 3.6Å; M49-Y53 WeakPolarHBondContact O-CB 3.41Å; M49-Y53 HydrophobicContact SD-CD2 3.79Å; M49-Y53 HydrophobicContact SD-CE2 4.28Å; Y53-I55 VanDerWaalsContact C-N 3.25Å; Y53-I55 PolarHBondContact O-N 2.7Å
54N93.8Very high92.9Very high75 Ų7531.2 Ų31.240%0.40116%0.159SC..  trans53.738.7175.4-168.936.7000113.8S25 M49 F50 K327S25-N54 VanDerWaalsContact CA-O 3.29Å; S25-N54 WeakPolarHBondContact CA-O 3.43Å; S25-N54 WeakPolarHBondContact CB-O 3.28Å; M49-N54 PolarHBondContact O-N 3.13Å; F50-N54 VanDerWaalsContact O-CA 3.24Å; F50-N54 WeakPolarHBondContact O-CA 3.47Å; F50-N54 PolarHBondContact O-N 2.83Å; N54-K327 VanDerWaalsContact OD1-CE 3.32Å; N54-K327 WeakPolarHBondContact OD1-CE 3.18Å; N54-K327 PolarHBondContact OD1-NZ 2.89Å
55I94.6Very high92.6Very high0 Ų027.3 Ų27.30%014%0.143CC..  trans-69.2147.1-177.668.2174.8000111.6P24 V29 M49 F50 Y53 F58P24-I55 HydrophobicContact CB-CG2 4.18Å; V29-I55 HydrophobicContact CB-CD1 3.96Å; V29-I55 HydrophobicContact CG2-CB 4.4Å; V29-I55 HydrophobicContact CG2-CD1 4.19Å; V29-I55 HydrophobicContact CG2-CG2 3.87Å; M49-I55 HydrophobicContact CB-CD1 3.64Å; M49-I55 HydrophobicContact CB-CG1 4.3Å; M49-I55 HydrophobicContact CE-CD1 4.04Å; M49-I55 HydrophobicContact CE-CG2 3.99Å; M49-I55 WeakPolarHBondContact O-CG1 3.34Å; M49-I55 PolarHBondContact O-N 2.97Å; F50-I55 HydrophobicContact CD1-CG1 3.9Å; F50-I55 WeakPolarHBondContact CD1-O 3.22Å; F50-I55 HydrophobicContact CE1-CG1 4.02Å; F50-I55 HydrophobicContact CG-CG1 4.45Å; Y53-I55 VanDerWaalsContact C-N 3.25Å; Y53-I55 PolarHBondContact O-N 2.7Å; I55-F58 HydrophobicContact CD1-CB 3.65Å; I55-F58 HydrophobicContact CD1-CD2 3.58Å; I55-F58 HydrophobicContact CD1-CG 3.96Å
56P93.8Very high92.3Very high51 Ų5126.8 Ų26.833%0.33114%0.141SC..SBendtrans-73.9-31.6-177.628.4-34.1000112.7S25 H27 K327S25-P56 WeakPolarHBondContact O-CD 3.41Å; H27-P56 VanDerWaalsContact O-CD 3.27Å; H27-P56 WeakPolarHBondContact O-CD 3.36Å; P56-K327 PolarHBondContact O-N 3.25Å
57A93.4Very high92Very high16 Ų1627.2 Ų27.213%0.13214%0.144CC..EExtended strand (participates in β ladder)trans-156.2148179.500000112P28 V29 W324 I325P28-A57 CarbonylContact C-O 3.54Å; P28-A57 VanDerWaalsContact CA-O 3.26Å; P28-A57 WeakPolarHBondContact CA-O 3.49Å; P28-A57 HydrophobicContact CB-CB 3.98Å; V29-A57 PolarHBondContact N-O 2.88Å; A57-W324 HydrophobicContact CB-CB 4.07Å; A57-W324 HydrophobicContact CB-CE3 4.18Å; A57-I325 CarbonylContact C-O 3.59Å; A57-I325 WeakPolarHBondContact CA-O 3.45Å; A57-I325 WeakPolarHBondContact CB-O 3.21Å
58F93.9Very high91.5Very high0 Ų024.3 Ų24.30%013%0.13CC..EExtended strand (participates in β ladder)trans-131.7143.7-176-171.5-121.1000111.7V29 M31 L45 T46 M49 F50 I55 L60 I325V29-F58 HydrophobicContact CB-CD2 4.38Å; V29-F58 VanDerWaalsContact O-CD2 3.22Å; V29-F58 WeakPolarHBondContact O-CD2 3.18Å; M31-F58 HydrophobicContact CB-CE2 4.12Å; M31-F58 HydrophobicContact CB-CZ 4.27Å; M31-F58 HydrophobicContact CG-CE2 3.98Å; M31-F58 HydrophobicContact SD-CE2 4.15Å; M31-F58 HydrophobicContact SD-CZ 4.47Å; L45-F58 HydrophobicContact CD2-CZ 4.09Å; L45-F58 HydrophobicContact CG-CZ 4.12Å; T46-F58 HydrophobicContact CG2-CD1 4.28Å; M49-F58 HydrophobicContact CB-CD2 4.25Å; M49-F58 HydrophobicContact CB-CE2 4.31Å; M49-F58 HydrophobicContact CG-CD2 4.29Å; M49-F58 HydrophobicContact CG-CE2 3.87Å; M49-F58 HydrophobicContact CG-CZ 4.32Å; F50-F58 HydrophobicContact CD2-CB 4.47Å; F50-F58 HydrophobicContact CE1-CB 4.29Å; F50-F58 HydrophobicContact CE2-CB 3.53Å; F50-F58 HydrophobicContact CE2-CD1 4.42Å; F50-F58 HydrophobicContact CE2-CG 4.32Å; F50-F58 HydrophobicContact CZ-CB 3.43Å; F50-F58 VanDerWaalsContact CZ-CB 3.43Å; I55-F58 HydrophobicContact CD1-CB 3.65Å; I55-F58 HydrophobicContact CD1-CD2 3.58Å; I55-F58 HydrophobicContact CD1-CG 3.96Å; F58-L60 HydrophobicContact CE1-CB 4.06Å; F58-L60 HydrophobicContact CZ-CB 4.33Å; F58-L60 HydrophobicContact CZ-CD1 4.25Å; F58-I325 PolarHBondContact N-O 3.4Å; F58-I325 WeakPolarHBondContact O-CB 3.29Å; F58-I325 PolarHBondContact O-N 3.21Å
59F92.7Very high90.6Very high13 Ų1325.3 Ų25.36%0.05713%0.133CC..EExtended strand (participates in β ladder)trans-141.9136.4167.1-167-89.4000110.9V29 L30 M31 C61 F320 M323 W324 C342V29-F59 PolarHBondContact O-N 3.3Å; V29-F59 VanDerWaalsContact O-N 3.09Å; L30-F59 WeakPolarHBondContact CA-O 3.41Å; L30-F59 HydrophobicContact CD1-CD1 4.48Å; M31-F59 PolarHBondContact N-O 3.3Å; F59-C61 HydrophobicContact CD1-CB 4.06Å; F59-C61 HydrophobicContact CE1-CB 3.77Å; F59-F320 HydrophobicContact CB-CE1 4.46Å; F59-F320 HydrophobicContact CB-CZ 4.46Å; F59-F320 HydrophobicContact CD1-CE1 4.17Å; F59-F320 AromaticContact CD1-CZ 3.49Å; F59-F320 HydrophobicContact CD1-CZ 3.49Å; F59-F320 VanDerWaalsContact CD1-CZ 3.49Å; F59-F320 AromaticContact CD2-CZ 3.86Å; F59-F320 HydrophobicContact CD2-CZ 3.86Å; F59-F320 HydrophobicContact CE1-CE2 4.15Å; F59-F320 AromaticContact CE1-CZ 3.52Å; F59-F320 HydrophobicContact CE1-CZ 3.52Å; F59-F320 HydrophobicContact CE2-CE2 4.22Å; F59-F320 AromaticContact CE2-CZ 3.88Å; F59-F320 HydrophobicContact CE2-CZ 3.88Å; F59-F320 HydrophobicContact CG-CE1 4.11Å; F59-F320 AromaticContact CG-CZ 3.65Å; F59-F320 HydrophobicContact CG-CZ 3.65Å; F59-F320 AromaticContact CZ-CE2 3.98Å; F59-F320 HydrophobicContact CZ-CE2 3.98Å; F59-F320 AromaticContact CZ-CZ 3.71Å; F59-F320 HydrophobicContact CZ-CZ 3.71Å; F59-M323 HydrophobicContact CD2-CB 4.3Å; F59-M323 VanDerWaalsContact CD2-O 3.3Å; F59-M323 WeakPolarHBondContact CD2-O 3.13Å; F59-M323 HydrophobicContact CE2-CB 3.92Å; F59-M323 WeakPolarHBondContact CE2-O 3.46Å; F59-W324 HydrophobicContact CB-CD2 4.06Å; F59-W324 HydrophobicContact CB-CE3 3.74Å; F59-W324 HydrophobicContact CB-CZ3 4Å; F59-C342 VanDerWaalsContact CD2-SG 3.51Å; F59-C342 WeakPolarHBondContact CE2-SG 3.4Å
60L92.4Very high89.4Confident2 Ų226.7 Ų26.71%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-113.6122.2178.2-168.660.8000109.2M31 E33 R42 L45 F58 V338 C342M31-L60 HydrophobicContact CB-CD1 3.88Å; M31-L60 WeakPolarHBondContact O-CA 3.23Å; E33-L60 HydrophobicContact CB-CD1 3.96Å; E33-L60 HydrophobicContact CB-CG 4.24Å; E33-L60 VanDerWaalsContact CD-CD2 3.46Å; E33-L60 HydrophobicContact CG-CD1 4.12Å; E33-L60 HydrophobicContact CG-CD2 4.29Å; E33-L60 HydrophobicContact CG-CG 3.88Å; E33-L60 WeakPolarHBondContact OE2-CD2 3.48Å; R42-L60 HydrophobicContact CB-CD2 4.06Å; R42-L60 HydrophobicContact CG-CD2 4.01Å; L45-L60 HydrophobicContact CD2-CD1 3.81Å; L45-L60 HydrophobicContact CD2-CD2 4.46Å; F58-L60 HydrophobicContact CE1-CB 4.06Å; F58-L60 HydrophobicContact CZ-CB 4.33Å; F58-L60 HydrophobicContact CZ-CD1 4.25Å; L60-V338 HydrophobicContact CB-CG2 4.02Å; L60-V338 HydrophobicContact CD2-CG2 3.95Å; L60-C342 HydrophobicContact CB-CB 4.31Å; L60-C342 PolarHBondContact N-SG 3.05Å; L60-C342 WeakPolarHBondContact O-CB 3.12Å
61C91.2Very high87.8Confident12 Ų1227.4 Ų27.48%0.08115%0.146CC..EExtended strand (participates in β ladder)trans-123.7143.4-178.3-164.10000111.5M31 S32 E33 F59 S63 L66M31-C61 PolarHBondContact O-N 2.66Å; S32-C61 CarbonylContact C-O 3.54Å; S32-C61 VanDerWaalsContact CA-O 3.23Å; S32-C61 WeakPolarHBondContact CA-O 3.15Å; E33-C61 PolarHBondContact N-O 3.44Å; F59-C61 HydrophobicContact CD1-CB 4.06Å; F59-C61 HydrophobicContact CE1-CB 3.77Å; C61-S63 PolarHBondContact O-N 2.82Å; C61-L66 HydrophobicContact CB-CD1 4.02Å; C61-L66 HydrophobicContact CB-CD2 3.77Å; C61-L66 HydrophobicContact CB-CG 3.88Å; C61-L66 WeakPolarHBondContact SG-CD2 3.27Å
62K91.1Very high86.5Confident7 Ų722.6 Ų22.63%0.0312%0.123CC..EExtended strand (participates in β ladder)trans-66.8132.5175.4-53.7-50-166.6-177.40109.9E33 A64 V65 L66 V100E33-K62 VanDerWaalsContact CD-NZ 3.29Å; E33-K62 HydrophobicContact CG-CD 3.61Å; E33-K62 CarbonylContact O-C 3.49Å; E33-K62 WeakPolarHBondContact O-CA 3.47Å; E33-K62 VanDerWaalsContact OE1-CD 3.31Å; E33-K62 WeakPolarHBondContact OE1-CD 3.29Å; E33-K62 WeakPolarHBondContact OE1-CE 3.42Å; E33-K62 IonicContact OE1-NZ 3.61Å; E33-K62 PolarHBondContact OE1-NZ 3.21Å; E33-K62 IonicContact OE2-NZ 3.59Å; K62-A64 PolarHBondContact O-N 3.38Å; K62-A64 VanDerWaalsContact O-N 3.13Å; K62-V65 HydrophobicContact CB-CG2 4.16Å; K62-V65 PolarHBondContact O-N 2.98Å; K62-L66 PolarHBondContact O-N 3.46Å; K62-L66 VanDerWaalsContact O-N 3.14Å; K62-V100 HydrophobicContact CB-CG2 3.98Å; K62-V100 HydrophobicContact CG-CG2 4.01Å
63S90.6Very high84.9Confident29 Ų2924 Ų2420%0.20313%0.128CC..Hα-helixtrans-54.6-36179.7-56.50000112.2E33 C61 L66 S67E33-S63 PolarHBondContact O-N 2.68Å; E33-S63 PolarHBondContact O-OG 3.18Å; C61-S63 PolarHBondContact O-N 2.82Å; S63-L66 PolarHBondContact O-N 3.14Å; S63-S67 WeakPolarHBondContact O-CB 3.35Å; S63-S67 PolarHBondContact O-N 2.72Å; S63-S67 PolarHBondContact O-OG 3.25Å; S63-S67 VanDerWaalsContact O-OG 3.07Å
64A87.6Confident83.2Confident4 Ų427 Ų273%0.03316%0.156CC..Hα-helixtrans-61.5-44.8176.400000113K62 L66 S67 A68 V82 I93 V100K62-A64 PolarHBondContact O-N 3.38Å; K62-A64 VanDerWaalsContact O-N 3.13Å; A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 PolarHBondContact O-N 3.06Å; A64-S67 PolarHBondContact O-N 3.28Å; A64-A68 PolarHBondContact O-N 2.96Å; A64-V82 HydrophobicContact CB-CB 4.36Å; A64-V82 WeakPolarHBondContact O-CG2 3.31Å; A64-I93 HydrophobicContact CB-CB 3.87Å; A64-I93 HydrophobicContact CB-CD1 3.82Å; A64-I93 HydrophobicContact CB-CG1 4.45Å; A64-I93 HydrophobicContact CB-CG2 3.54Å; A64-V100 HydrophobicContact CB-CG2 4.47Å
65V87.4Confident81.8Confident16 Ų1626.9 Ų26.910%0.09716%0.155CC..Hα-helixtrans-63.6-43.8177.8178.70000109.6K62 A68 Y69 G98 V100K62-V65 HydrophobicContact CB-CG2 4.16Å; K62-V65 PolarHBondContact O-N 2.98Å; V65-A68 CarbonylContact O-C 3.58Å; V65-A68 PolarHBondContact O-N 3.09Å; V65-Y69 WeakPolarHBondContact O-CB 3.43Å; V65-Y69 PolarHBondContact O-N 2.93Å; V65-G98 WeakPolarHBondContact CG1-O 3.23Å; V65-V100 HydrophobicContact CG2-CG2 3.49Å; V65-V100 VanDerWaalsContact CG2-CG2 3.49Å
66L88.2Confident80.3Confident1 Ų130.2 Ų30.21%0.00519%0.19CC..Hα-helixtrans-62.2-43.5176-61.7-179.1000112L30 C61 K62 S63 A64 A68 Y69 P70 A307 G310 L314L30-L66 HydrophobicContact CD2-CD1 4.13Å; C61-L66 HydrophobicContact CB-CD1 4.02Å; C61-L66 HydrophobicContact CB-CD2 3.77Å; C61-L66 HydrophobicContact CB-CG 3.88Å; C61-L66 WeakPolarHBondContact SG-CD2 3.27Å; K62-L66 PolarHBondContact O-N 3.46Å; K62-L66 VanDerWaalsContact O-N 3.14Å; S63-L66 PolarHBondContact O-N 3.14Å; A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 PolarHBondContact O-N 3.06Å; L66-A68 VanDerWaalsContact C-N 3.29Å; L66-A68 PolarHBondContact O-N 3.1Å; L66-Y69 WeakPolarHBondContact O-CB 3.41Å; L66-Y69 PolarHBondContact O-N 3Å; L66-P70 WeakPolarHBondContact O-CD 3.48Å; L66-A307 HydrophobicContact CB-CB 4.13Å; L66-A307 WeakPolarHBondContact CB-O 3.33Å; L66-A307 WeakPolarHBondContact CD1-O 3.37Å; L66-G310 WeakPolarHBondContact O-CA 3.5Å; L66-L314 HydrophobicContact CD2-CD2 3.7Å
67S85.9Confident79.2Confident10 Ų1032.4 Ų32.47%0.0719%0.191CC..Hα-helixtrans-64.6-32.3177.3-67.10000113S63 A64 Y69 S306 A307S63-S67 WeakPolarHBondContact O-CB 3.35Å; S63-S67 PolarHBondContact O-N 2.72Å; S63-S67 PolarHBondContact O-OG 3.25Å; S63-S67 VanDerWaalsContact O-OG 3.07Å; A64-S67 PolarHBondContact O-N 3.28Å; S67-Y69 VanDerWaalsContact C-N 3.34Å; S67-S306 WeakPolarHBondContact CB-OG 3.15Å; S67-S306 PolarHBondContact OG-OG 3.26Å; S67-A307 PolarHBondContact OG-N 3.13Å
68A82.4Confident78.3Confident2 Ų234.1 Ų34.12%0.01720%0.202CC..Hα-helixtrans-78.3-19.2172.400000112.8A64 V65 L66 L71 H72 V82A64-A68 PolarHBondContact O-N 2.96Å; V65-A68 CarbonylContact O-C 3.58Å; V65-A68 PolarHBondContact O-N 3.09Å; L66-A68 VanDerWaalsContact C-N 3.29Å; L66-A68 PolarHBondContact O-N 3.1Å; A68-L71 CarbonylContact O-C 3.56Å; A68-L71 WeakPolarHBondContact O-CA 3.26Å; A68-L71 VanDerWaalsContact O-CB 3.23Å; A68-L71 WeakPolarHBondContact O-CB 3.33Å; A68-L71 PolarHBondContact O-N 3.09Å; A68-H72 WeakPolarHBondContact CB-NE2 3.47Å; A68-H72 PolarHBondContact O-N 2.92Å; A68-V82 HydrophobicContact CB-CG2 3.76Å
69Y76.7Confident78Confident47 Ų4735.1 Ų35.118%0.18421%0.208CC..Hα-helixtrans-62.1-46.6-169.7-157.3-96.5000115.3V65 L66 S67 L71 H72 F73 I313 L314 L317V65-Y69 WeakPolarHBondContact O-CB 3.43Å; V65-Y69 PolarHBondContact O-N 2.93Å; L66-Y69 WeakPolarHBondContact O-CB 3.41Å; L66-Y69 PolarHBondContact O-N 3Å; S67-Y69 VanDerWaalsContact C-N 3.34Å; Y69-L71 PolarHBondContact O-N 3.46Å; Y69-L71 VanDerWaalsContact O-N 3.09Å; Y69-H72 PolarHBondContact O-N 3.4Å; Y69-H72 VanDerWaalsContact O-N 3.13Å; Y69-F73 WeakPolarHBondContact O-CB 3.4Å; Y69-F73 PolarHBondContact O-N 3.48Å; Y69-I313 HydrophobicContact CD1-CB 4.23Å; Y69-I313 HydrophobicContact CD1-CG2 4.03Å; Y69-I313 HydrophobicContact CE1-CB 4.43Å; Y69-I313 HydrophobicContact CE1-CG2 3.89Å; Y69-L314 HydrophobicContact CD1-CB 4.18Å; Y69-L314 HydrophobicContact CD2-CD1 4.44Å; Y69-L314 HydrophobicContact CE1-CB 3.95Å; Y69-L314 HydrophobicContact CE1-CD1 4.05Å; Y69-L314 HydrophobicContact CE2-CD1 3.67Å; Y69-L314 VanDerWaalsContact CZ-CD1 3.44Å; Y69-L314 WeakPolarHBondContact OH-CD1 3.48Å; Y69-L317 HydrophobicContact CE1-CD1 3.93Å; Y69-L317 WeakPolarHBondContact OH-CD1 3.28Å
70P68.3Low77.9Confident30 Ų3034.6 Ų34.620%0.19521%0.207CC..Hα-helixtrans-55-32174.7-22.730.9000111.8L66 A74 I309 I313L66-P70 WeakPolarHBondContact O-CD 3.48Å; P70-A74 VanDerWaalsContact O-CB 3.24Å; P70-A74 WeakPolarHBondContact O-CB 3.37Å; P70-A74 PolarHBondContact O-N 2.96Å; P70-I309 HydrophobicContact CG-CG2 4.3Å; P70-I313 HydrophobicContact CB-CD1 3.96Å; P70-I313 HydrophobicContact CG-CD1 4.01Å
71L61.5Low77.9Confident17 Ų1734.5 Ų34.59%0.08921%0.206CC..Hα-helixtrans-79.7-41.3178.9-156.8106.7000113A68 Y69 F73 A74 N75 S261 V263 I295A68-L71 CarbonylContact O-C 3.56Å; A68-L71 WeakPolarHBondContact O-CA 3.26Å; A68-L71 VanDerWaalsContact O-CB 3.23Å; A68-L71 WeakPolarHBondContact O-CB 3.33Å; A68-L71 PolarHBondContact O-N 3.09Å; Y69-L71 PolarHBondContact O-N 3.46Å; Y69-L71 VanDerWaalsContact O-N 3.09Å; L71-F73 PolarHBondContact O-N 3.3Å; L71-A74 PolarHBondContact O-N 2.73Å; L71-N75 HydrophobicContact CG-CB 4.43Å; L71-N75 WeakPolarHBondContact CG-ND2 3.35Å; L71-N75 WeakPolarHBondContact O-CB 3.39Å; L71-N75 PolarHBondContact O-N 3.08Å; L71-S261 WeakPolarHBondContact CD2-OG 3.41Å; L71-V263 HydrophobicContact CD2-CG2 4.12Å; L71-I295 HydrophobicContact CD1-CB 4.12Å; L71-I295 HydrophobicContact CD1-CD1 3.62Å; L71-I295 HydrophobicContact CD1-CG1 4.41Å; L71-I295 HydrophobicContact CD1-CG2 3.39Å; L71-I295 HydrophobicContact CD2-CD1 3.47Å; L71-I295 VanDerWaalsContact CD2-CD1 3.47Å; L71-I295 HydrophobicContact CG-CD1 4.13Å
72H65.1Low78Confident28 Ų2834 Ų3413%0.1320%0.203CC..Hα-helixtrans-54.5-42.9171.9-64.1-30.5000110.3A68 Y69 G76 R77 S78A68-H72 WeakPolarHBondContact CB-NE2 3.47Å; A68-H72 PolarHBondContact O-N 2.92Å; Y69-H72 PolarHBondContact O-N 3.4Å; Y69-H72 VanDerWaalsContact O-N 3.13Å; H72-G76 WeakPolarHBondContact O-CA 3.3Å; H72-G76 PolarHBondContact O-N 3.41Å; H72-G76 VanDerWaalsContact O-N 3.09Å; H72-R77 WeakPolarHBondContact CA-O 3.48Å; H72-R77 PolarHBondContact CE1-O 2.9Å; H72-R77 PolarHBondContact ND1-O 3.05Å; H72-S78 PolarHBondContact CE1-O 2.92Å
73F58.9Low78.2Confident131 Ų13133.6 Ų33.658%0.57520%0.201SC*.Hα-helixtrans-70.2-46178-166.7-94.8000113.1Y69 L71 I313 L317Y69-F73 WeakPolarHBondContact O-CB 3.4Å; Y69-F73 PolarHBondContact O-N 3.48Å; L71-F73 PolarHBondContact O-N 3.3Å; F73-I313 HydrophobicContact CG-CG2 4.49Å; F73-L317 HydrophobicContact CE2-CD2 4Å
74A58.9Low78.3Confident76 Ų7634.7 Ų34.763%0.62820%0.204SC*.Hα-helixtrans-77.6-34.2-176.100000114.3P70 L71P70-A74 VanDerWaalsContact O-CB 3.24Å; P70-A74 WeakPolarHBondContact O-CB 3.37Å; P70-A74 PolarHBondContact O-N 2.96Å; L71-A74 PolarHBondContact O-N 2.73Å
75N62.3Low78.6Confident72 Ų7234.5 Ų34.539%0.38520%0.203SC..Hα-helixtrans-110.3-3.5-172.3-67.3-19.8000113.8L71 R77L71-N75 HydrophobicContact CG-CB 4.43Å; L71-N75 WeakPolarHBondContact CG-ND2 3.35Å; L71-N75 WeakPolarHBondContact O-CB 3.39Å; L71-N75 PolarHBondContact O-N 3.08Å; N75-R77 HydrophobicContact CB-CG 4.43Å; N75-R77 PolarHBondContact O-N 2.84Å
76G65.1Low78.7Confident71 Ų7134.6 Ų34.673%0.73221%0.207SC*.  trans63.220.5-179.200000114.3H72H72-G76 WeakPolarHBondContact O-CA 3.3Å; H72-G76 PolarHBondContact O-N 3.41Å; H72-G76 VanDerWaalsContact O-N 3.09Å
77R69.1Low78.7Confident96 Ų9637.3 Ų37.336%0.36223%0.23SC..  trans-103.7113.3-178.9-69.8-179.1177-170.4-11.5108.7H72 N75 T79 G260H72-R77 WeakPolarHBondContact CA-O 3.48Å; H72-R77 PolarHBondContact CE1-O 2.9Å; H72-R77 PolarHBondContact ND1-O 3.05Å; N75-R77 HydrophobicContact CB-CG 4.43Å; N75-R77 PolarHBondContact O-N 2.84Å; R77-T79 VanDerWaalsContact C-N 3.33Å; R77-G260 PolarHBondContact NH1-O 3.22Å
78S76Confident78.9Confident52 Ų5240.6 Ų40.636%0.36425%0.25SC..  trans-83.2-8.2179.259.70000114.1H72 D97 G98H72-S78 PolarHBondContact CE1-O 2.92Å; S78-D97 PolarHBondContact O-N 2.97Å; S78-D97 VanDerWaalsContact O-N 3.13Å; S78-D97 PolarHBondContact OG-OD1 3.23Å; S78-G98 PolarHBondContact O-N 3.41Å; S78-G98 VanDerWaalsContact O-N 3.1Å
79T87.5Confident79.2Confident21 Ų2144.1 Ų44.113%0.12927%0.266CS..  trans-122.4135.8-175.4-62.30000111R77 V95 H96 D97 L258R77-T79 VanDerWaalsContact C-N 3.33Å; T79-V95 CarbonylContact C-O 3.53Å; T79-V95 VanDerWaalsContact CA-O 3.29Å; T79-V95 WeakPolarHBondContact CA-O 3.47Å; T79-H96 HydrophobicContact CG2-CB 4.44Å; T79-H96 WeakPolarHBondContact CG2-ND1 3.3Å; T79-H96 PolarHBondContact OG1-ND1 3.07Å; T79-D97 PolarHBondContact OG1-N 2.99Å; T79-L258 HydrophobicContact CG2-CD2 4.12Å
80G90.1Very high80Confident2 Ų241.9 Ų41.92%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-179.1172178.800000112.7V95 L258 S261G80-V95 PolarHBondContact N-O 3.23Å; G80-V95 PolarHBondContact O-N 3.33Å; G80-L258 VanDerWaalsContact O-CD2 3.28Å; G80-L258 WeakPolarHBondContact O-CD2 3.36Å; G80-S261 CarbonylContact C-O 3.59Å; G80-S261 VanDerWaalsContact CA-O 3.25Å; G80-S261 WeakPolarHBondContact CA-O 3.32Å
81L92.4Very high81.2Confident0 Ų040.6 Ų40.60%025%0.249CC..EExtended strand (participates in β ladder)trans-107.5130.8174.9-175.579.3000109.6A92 P94 V243 S246 V247 L258 S261 V262 V263L81-A92 HydrophobicContact CD1-CB 4.27Å; L81-A92 HydrophobicContact CD2-CB 4.31Å; L81-A92 HydrophobicContact CG-CB 4.5Å; L81-P94 HydrophobicContact CD1-CB 3.86Å; L81-P94 HydrophobicContact CD1-CG 4.32Å; L81-V243 HydrophobicContact CD2-CB 4.08Å; L81-V243 HydrophobicContact CD2-CG1 3.51Å; L81-V243 HydrophobicContact CD2-CG2 4.05Å; L81-S246 WeakPolarHBondContact CD1-OG 3.25Å; L81-V247 HydrophobicContact CD1-CG2 4.37Å; L81-V247 HydrophobicContact CD2-CG2 3.97Å; L81-L258 HydrophobicContact CB-CB 4.46Å; L81-S261 PolarHBondContact N-O 3.31Å; L81-V262 HydrophobicContact CB-CG2 4.44Å; L81-V262 HydrophobicContact CD2-CG1 4.38Å; L81-V262 CarbonylContact O-C 3.56Å; L81-V262 WeakPolarHBondContact O-CA 2.86Å; L81-V263 PolarHBondContact O-N 3.32Å
82V93.1Very high82.8Confident1 Ų139.8 Ų39.81%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-101.6115.7172.9-176.80000109.4A64 A68 A92 I93 V95 V263 T265A64-V82 HydrophobicContact CB-CB 4.36Å; A64-V82 WeakPolarHBondContact O-CG2 3.31Å; A68-V82 HydrophobicContact CB-CG2 3.76Å; V82-A92 CarbonylContact O-C 3.55Å; V82-A92 WeakPolarHBondContact O-CA 3.37Å; V82-I93 PolarHBondContact N-O 3.04Å; V82-I93 PolarHBondContact O-N 3.17Å; V82-V95 HydrophobicContact CG2-CG2 4.22Å; V82-V263 HydrophobicContact CG2-CB 4.43Å; V82-T265 HydrophobicContact CG1-CG2 3.91Å
83L94.6Very high84.1Confident0 Ų038.8 Ų38.80%024%0.24CC..EExtended strand (participates in β ladder)trans-96.4111.4168178.470.3000109T90 T91 A92 V239 V243 V263 V264 T265 L278L83-T90 HydrophobicContact CD1-CG2 3.75Å; L83-T91 CarbonylContact C-O 3.51Å; L83-T91 WeakPolarHBondContact CA-O 3.49Å; L83-A92 HydrophobicContact CD1-CB 4.4Å; L83-V239 HydrophobicContact CD1-CG1 4.04Å; L83-V239 HydrophobicContact CD2-CG1 3.51Å; L83-V239 HydrophobicContact CG-CG1 4.32Å; L83-V243 HydrophobicContact CB-CG2 4.36Å; L83-V243 HydrophobicContact CD1-CG2 3.85Å; L83-V243 HydrophobicContact CD2-CG2 4.08Å; L83-V243 HydrophobicContact CG-CG2 4.32Å; L83-V263 PolarHBondContact N-O 3.21Å; L83-V264 HydrophobicContact CD2-CG1 4.45Å; L83-V264 HydrophobicContact CD2-CG2 4.37Å; L83-V264 WeakPolarHBondContact O-CA 3.49Å; L83-T265 PolarHBondContact O-N 2.97Å; L83-L278 HydrophobicContact CD2-CD1 4.34Å; L83-L278 HydrophobicContact CD2-CD2 3.26Å; L83-L278 HydrophobicContact CD2-CG 4.44Å
84D92.9Very high85.7Confident51 Ų5132.6 Ų32.627%0.27321%0.213SC..EExtended strand (participates in β ladder)trans-109.9114.5174.9-178.514000110.4T90 T91 T265 G266D84-T90 CarbonylContact O-C 3.6Å; D84-T90 VanDerWaalsContact O-CA 3.27Å; D84-T90 WeakPolarHBondContact O-CA 3.25Å; D84-T91 PolarHBondContact N-O 3.22Å; D84-T91 PolarHBondContact O-N 2.98Å; D84-T265 CarbonylContact C-O 3.2Å; D84-T265 VanDerWaalsContact CA-O 3.31Å; D84-T265 WeakPolarHBondContact CA-O 3.48Å; D84-T265 HydrophobicContact CB-CG2 3.78Å; D84-G266 VanDerWaalsContact OD1-CA 3.27Å; D84-G266 WeakPolarHBondContact OD1-CA 3.25Å
85S93.6Very high87.2Confident0 Ų029 Ų290%018%0.183CC..EExtended strand (participates in β ladder)trans-105.592.5171.2-1670000110.7T90 T265 G266 G267 N268S85-T90 WeakPolarHBondContact CB-OG1 3.4Å; S85-T90 PolarHBondContact OG-OG1 3.46Å; S85-T265 PolarHBondContact N-O 3Å; S85-G266 CarbonylContact O-C 3.34Å; S85-G266 VanDerWaalsContact O-C 3.23Å; S85-G266 WeakPolarHBondContact O-CA 3.5Å; S85-G267 PolarHBondContact O-N 2.65Å; S85-G267 VanDerWaalsContact O-N 3.14Å; S85-N268 PolarHBondContact O-N 3.3Å; S85-N268 PolarHBondContact O-ND2 3.41Å; S85-N268 PolarHBondContact OG-ND2 3.2Å
86G90.6Very high88.5Confident18 Ų1828.5 Ų28.519%0.18618%0.178CC..  trans-95.9-156.4-176.700000113.9H89 A112 G113 N268G86-H89 PolarHBondContact N-O 2.91Å; G86-H89 VanDerWaalsContact N-O 3.11Å; G86-A112 WeakPolarHBondContact O-CB 3.27Å; G86-G113 PolarHBondContact O-N 2.85Å; G86-N268 PolarHBondContact O-ND2 3Å
87A88.6Confident89.4Confident59 Ų5929.4 Ų29.449%0.48817%0.166SC..SBendtrans-71.9-54.1179.200000112.4A112 G113 D114A87-A112 WeakPolarHBondContact O-CB 3.38Å; A87-G113 CarbonylContact O-C 3.53Å; A87-G113 WeakPolarHBondContact O-CA 3.45Å; A87-G113 PolarHBondContact O-N 2.99Å; A87-D114 PolarHBondContact O-N 3.46Å
88T88.6Confident89.9Confident79 Ų7926.1 Ų26.149%0.48516%0.162SC..SBendtrans-91.5-30.7-170.552.30000113.8D114T88-D114 VanDerWaalsContact CG2-OD2 3.25Å; T88-D114 WeakPolarHBondContact CG2-OD2 3.45Å
89H90.5Very high90.3Very high75 Ų7530.4 Ų30.435%0.34717%0.171SC..  trans-144.9150-173.9-57.580.5000111.2G86 T91 S109 A112G86-H89 PolarHBondContact N-O 2.91Å; G86-H89 VanDerWaalsContact N-O 3.11Å; H89-T91 HydrophobicContact CB-CG2 4.02Å; H89-S109 CarbonylContact C-O 3.6Å; H89-S109 VanDerWaalsContact CA-O 3.28Å; H89-S109 WeakPolarHBondContact CA-O 3.41Å; H89-A112 VanDerWaalsContact C-CB 3.46Å
90T93.1Very high90.2Very high1 Ų130.3 Ų30.31%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-101.7127.8160.4-61.70000108.6L83 D84 S85 K108 S109 L111 V239L83-T90 HydrophobicContact CD1-CG2 3.75Å; D84-T90 CarbonylContact O-C 3.6Å; D84-T90 VanDerWaalsContact O-CA 3.27Å; D84-T90 WeakPolarHBondContact O-CA 3.25Å; S85-T90 WeakPolarHBondContact CB-OG1 3.4Å; S85-T90 PolarHBondContact OG-OG1 3.46Å; T90-K108 CarbonylContact O-C 3.23Å; T90-K108 WeakPolarHBondContact O-CA 3.37Å; T90-S109 PolarHBondContact N-O 2.83Å; T90-S109 PolarHBondContact O-N 3.01Å; T90-L111 WeakPolarHBondContact CB-O 3.46Å; T90-L111 PolarHBondContact OG1-O 3.06Å; T90-V239 HydrophobicContact CG2-CG1 4.35Å; T90-V239 HydrophobicContact CG2-CG2 4.23Å
91T93.6Very high90Very high3 Ų332.3 Ų32.32%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-130.3139-174.4670000111.8W36 L83 D84 H89 V107 K108W36-T91 HydrophobicContact CH2-CG2 3.64Å; W36-T91 HydrophobicContact CZ3-CG2 3.94Å; L83-T91 CarbonylContact C-O 3.51Å; L83-T91 WeakPolarHBondContact CA-O 3.49Å; D84-T91 PolarHBondContact N-O 3.22Å; D84-T91 PolarHBondContact O-N 2.98Å; H89-T91 HydrophobicContact CB-CG2 4.02Å; T91-V107 CarbonylContact C-O 3.58Å; T91-V107 VanDerWaalsContact CA-O 3.28Å; T91-V107 WeakPolarHBondContact CA-O 3.46Å; T91-K108 HydrophobicContact CG2-CB 3.98Å; T91-K108 HydrophobicContact CG2-CD 4.23Å; T91-K108 HydrophobicContact CG2-CG 3.69Å
92A94.5Very high89.1Confident0 Ų036.7 Ų36.70%020%0.201CC..EExtended strand (participates in β ladder)trans-110.9123.5168.500000108.8L81 V82 L83 V107 V242 V243L81-A92 HydrophobicContact CD1-CB 4.27Å; L81-A92 HydrophobicContact CD2-CB 4.31Å; L81-A92 HydrophobicContact CG-CB 4.5Å; V82-A92 CarbonylContact O-C 3.55Å; V82-A92 WeakPolarHBondContact O-CA 3.37Å; L83-A92 HydrophobicContact CD1-CB 4.4Å; A92-V107 PolarHBondContact N-O 3.14Å; A92-V107 PolarHBondContact O-N 3.18Å; A92-V107 VanDerWaalsContact O-N 3.08Å; A92-V242 HydrophobicContact CB-CG1 3.61Å; A92-V243 HydrophobicContact CB-CG2 4.42Å
93I93.1Very high87.9Confident7 Ų746 Ų464%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-129.9110.1-171.1-56.6174.6000108.5W36 A64 V82 V100 I106W36-I93 HydrophobicContact CZ3-CD1 4.07Å; A64-I93 HydrophobicContact CB-CB 3.87Å; A64-I93 HydrophobicContact CB-CD1 3.82Å; A64-I93 HydrophobicContact CB-CG1 4.45Å; A64-I93 HydrophobicContact CB-CG2 3.54Å; V82-I93 PolarHBondContact N-O 3.04Å; V82-I93 PolarHBondContact O-N 3.17Å; I93-V100 HydrophobicContact CG2-CB 4.46Å; I93-V100 HydrophobicContact CG2-CG1 3.44Å; I93-V100 VanDerWaalsContact CG2-CG1 3.44Å; I93-V100 HydrophobicContact CG2-CG2 4.24Å; I93-I106 HydrophobicContact CG1-CG2 4.41Å; I93-I106 HydrophobicContact CG2-CG1 4.38Å
94P92.6Very high86.5Confident0 Ų048.1 Ų48.10%026%0.262CS..EExtended strand (participates in β ladder)trans-79.9131.1178.722.8-19.6000110.2L81 L101 G105 S246 C250 L258L81-P94 HydrophobicContact CD1-CB 3.86Å; L81-P94 HydrophobicContact CD1-CG 4.32Å; P94-L101 HydrophobicContact CB-CD1 4.14Å; P94-L101 HydrophobicContact CG-CB 4.2Å; P94-L101 HydrophobicContact CG-CD1 4.34Å; P94-L101 PolarHBondContact O-N 3.33Å; P94-G105 WeakPolarHBondContact CD-O 3.25Å; P94-S246 WeakPolarHBondContact CD-OG 3.24Å; P94-C250 VanDerWaalsContact CG-SG 3.56Å; P94-L258 HydrophobicContact CB-CD1 3.87Å; P94-L258 HydrophobicContact CB-CD2 3.7Å; P94-L258 HydrophobicContact CB-CG 4.45Å
95V90.2Very high85.6Confident0 Ų045.7 Ų45.70%025%0.249CC..EExtended strand (participates in β ladder)trans-114.3124.1177.1-178.10000107.4T79 G80 V82 Y99T79-V95 CarbonylContact C-O 3.53Å; T79-V95 VanDerWaalsContact CA-O 3.29Å; T79-V95 WeakPolarHBondContact CA-O 3.47Å; G80-V95 PolarHBondContact N-O 3.23Å; G80-V95 PolarHBondContact O-N 3.33Å; V82-V95 HydrophobicContact CG2-CG2 4.22Å; V95-Y99 CarbonylContact C-O 3.6Å; V95-Y99 VanDerWaalsContact CA-O 3.27Å; V95-Y99 WeakPolarHBondContact CA-O 3.4Å
96H88.4Confident85.4Confident63 Ų6347.4 Ų47.429%0.29226%0.258SS..EExtended strand (participates in β ladder)trans-127.6125.4177.1-174.351.1000108.8T79 G98 Y99 L101T79-H96 HydrophobicContact CG2-CB 4.44Å; T79-H96 WeakPolarHBondContact CG2-ND1 3.3Å; T79-H96 PolarHBondContact OG1-ND1 3.07Å; H96-G98 PolarHBondContact O-N 3.31Å; H96-G98 VanDerWaalsContact O-N 3.14Å; H96-Y99 PolarHBondContact N-O 3.27Å; H96-Y99 PolarHBondContact O-N 3.26Å; H96-L101 HydrophobicContact CB-CD1 4.25Å; H96-L101 HydrophobicContact CB-CD2 4.1Å; H96-L101 HydrophobicContact CB-CG 4.27Å
97D84.2Confident85.5Confident90 Ų9047.1 Ų47.148%0.48125%0.252SS..THydrogen-bonded Turntrans49.137.9-175.8-67.2-24.7000115.1S78 T79 Y99S78-D97 PolarHBondContact O-N 2.97Å; S78-D97 VanDerWaalsContact O-N 3.13Å; S78-D97 PolarHBondContact OG-OD1 3.23Å; T79-D97 PolarHBondContact OG1-N 2.99Å; D97-Y99 VanDerWaalsContact C-N 3.29Å; D97-Y99 WeakPolarHBondContact O-CD2 3.45Å; D97-Y99 WeakPolarHBondContact O-CE2 3.3Å; D97-Y99 PolarHBondContact O-N 3.48Å
98G79.6Confident85.6Confident27 Ų2748.2 Ų48.228%0.27825%0.246SC..THydrogen-bonded Turntrans80.41.2-179.200000115.2V65 S78 H96V65-G98 WeakPolarHBondContact CG1-O 3.23Å; S78-G98 PolarHBondContact O-N 3.41Å; S78-G98 VanDerWaalsContact O-N 3.1Å; H96-G98 PolarHBondContact O-N 3.31Å; H96-G98 VanDerWaalsContact O-N 3.14Å
99Y83.9Confident85.7Confident141 Ų14144.5 Ų44.555%0.55322%0.224SC*.EExtended strand (participates in β ladder)trans-109145177.5-62.1-83.4000111.8V95 H96 D97 P343V95-Y99 CarbonylContact C-O 3.6Å; V95-Y99 VanDerWaalsContact CA-O 3.27Å; V95-Y99 WeakPolarHBondContact CA-O 3.4Å; H96-Y99 PolarHBondContact N-O 3.27Å; H96-Y99 PolarHBondContact O-N 3.26Å; D97-Y99 VanDerWaalsContact C-N 3.29Å; D97-Y99 WeakPolarHBondContact O-CD2 3.45Å; D97-Y99 WeakPolarHBondContact O-CE2 3.3Å; D97-Y99 PolarHBondContact O-N 3.48Å; Y99-P343 HydrophobicContact CD1-CG 4.04Å; Y99-P343 HydrophobicContact CE1-CG 3.68Å
100V86.3Confident85.7Confident19 Ų1943.9 Ų43.912%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-80.2132.2173.4-179.70000109.8K62 A64 V65 I93 Q102 I106K62-V100 HydrophobicContact CB-CG2 3.98Å; K62-V100 HydrophobicContact CG-CG2 4.01Å; A64-V100 HydrophobicContact CB-CG2 4.47Å; V65-V100 HydrophobicContact CG2-CG2 3.49Å; V65-V100 VanDerWaalsContact CG2-CG2 3.49Å; I93-V100 HydrophobicContact CG2-CB 4.46Å; I93-V100 HydrophobicContact CG2-CG1 3.44Å; I93-V100 VanDerWaalsContact CG2-CG1 3.44Å; I93-V100 HydrophobicContact CG2-CG2 4.24Å; V100-Q102 VanDerWaalsContact C-N 3.28Å; V100-Q102 HydrophobicContact CB-CG 4.36Å; V100-Q102 HydrophobicContact CG1-CG 4.23Å; V100-Q102 PolarHBondContact O-N 3.26Å; V100-I106 HydrophobicContact CG1-CD1 4.05Å; V100-I106 HydrophobicContact CG1-CG1 4.3Å
101L85.4Confident85.5Confident44 Ų4444 Ų4423%0.2323%0.227CC..  trans-78.977.3172.8-55.6177.3000110.6P94 H96 Q103 G105 I254P94-L101 HydrophobicContact CB-CD1 4.14Å; P94-L101 HydrophobicContact CG-CB 4.2Å; P94-L101 HydrophobicContact CG-CD1 4.34Å; P94-L101 PolarHBondContact O-N 3.33Å; H96-L101 HydrophobicContact CB-CD1 4.25Å; H96-L101 HydrophobicContact CB-CD2 4.1Å; H96-L101 HydrophobicContact CB-CG 4.27Å; L101-Q103 VanDerWaalsContact C-N 3.34Å; L101-Q103 PolarHBondContact O-N 3.15Å; L101-G105 PolarHBondContact O-N 2.98Å; L101-I254 HydrophobicContact CD1-CD1 3.25Å
102Q73.3Confident85.4Confident92 Ų9243.8 Ų43.843%0.4323%0.226SC..THydrogen-bonded Turntrans-59.9-36.3-169.4-69.1179.7-2.400114.4V100 P343V100-Q102 VanDerWaalsContact C-N 3.28Å; V100-Q102 HydrophobicContact CB-CG 4.36Å; V100-Q102 HydrophobicContact CG1-CG 4.23Å; V100-Q102 PolarHBondContact O-N 3.26Å; Q102-P343 PolarHBondContact NE2-OXT 2.94Å
103Q69.4Low85.1Confident198 Ų19844.1 Ų44.193%0.92523%0.229SC*.THydrogen-bonded Turntrans-91.9-23-172.6-67.6176.2-1700114.1L101L101-Q103 VanDerWaalsContact C-N 3.34Å; L101-Q103 PolarHBondContact O-N 3.15Å
104A64.3Low85Confident44 Ų4447.7 Ų47.736%0.36425%0.248SC..THydrogen-bonded Turntrans-121.20.7-164.200000114.8M249A104-M249 CarbonylContact O-C 3.46Å; A104-M249 WeakPolarHBondContact O-CB 3.19Å
105G74.7Confident84.9Confident0 Ų048.6 Ų48.60%025%0.252CS..  trans-155.4-0.5-172.800000118.4P94 L101 V107 S246P94-G105 WeakPolarHBondContact CD-O 3.25Å; L101-G105 PolarHBondContact O-N 2.98Å; G105-V107 PolarHBondContact O-N 3.43Å; G105-S246 WeakPolarHBondContact O-CB 3.35Å; G105-S246 PolarHBondContact O-OG 2.8Å
106I89.1Confident84.9Confident35 Ų3548.7 Ų48.718%0.17925%0.252CS..  trans-77.3109.2177.6-59176.1000109.4W36 I93 V100 K108W36-I106 HydrophobicContact CE3-CG2 4.28Å; I93-I106 HydrophobicContact CG1-CG2 4.41Å; I93-I106 HydrophobicContact CG2-CG1 4.38Å; V100-I106 HydrophobicContact CG1-CD1 4.05Å; V100-I106 HydrophobicContact CG1-CG1 4.3Å; I106-K108 HydrophobicContact CG2-CG 4.18Å
107V91.7Very high85.1Confident12 Ų1246 Ų467%0.07324%0.241CC..EExtended strand (participates in β ladder)trans-110.9136.8174.6-176.60000109.1T91 A92 G105 L237 V242 T245 M249T91-V107 CarbonylContact C-O 3.58Å; T91-V107 VanDerWaalsContact CA-O 3.28Å; T91-V107 WeakPolarHBondContact CA-O 3.46Å; A92-V107 PolarHBondContact N-O 3.14Å; A92-V107 PolarHBondContact O-N 3.18Å; A92-V107 VanDerWaalsContact O-N 3.08Å; G105-V107 PolarHBondContact O-N 3.43Å; V107-L237 HydrophobicContact CG1-CD1 3.91Å; V107-V242 HydrophobicContact CB-CG1 4.16Å; V107-V242 HydrophobicContact CG1-CB 4.34Å; V107-V242 HydrophobicContact CG1-CG1 3.98Å; V107-V242 HydrophobicContact CG1-CG2 4.39Å; V107-T245 HydrophobicContact CG1-CG2 4.47Å; V107-T245 HydrophobicContact CG2-CG2 3.97Å; V107-M249 HydrophobicContact CG2-SD 3.91Å
108K91Very high85.4Confident82 Ų8247 Ų4736%0.35724%0.244SC..EExtended strand (participates in β ladder)trans-131140.3-179.3-48.2-178.4-159.61620109.8W36 T90 T91 I106W36-K108 VanDerWaalsContact CB-NZ 3.27Å; W36-K108 HydrophobicContact CD2-CD 4.17Å; W36-K108 HydrophobicContact CE3-CD 4.15Å; W36-K108 HydrophobicContact CH2-CD 4.33Å; W36-K108 HydrophobicContact CZ2-CD 4.33Å; W36-K108 HydrophobicContact CZ3-CD 4.21Å; T90-K108 CarbonylContact O-C 3.23Å; T90-K108 WeakPolarHBondContact O-CA 3.37Å; T91-K108 HydrophobicContact CG2-CB 3.98Å; T91-K108 HydrophobicContact CG2-CD 4.23Å; T91-K108 HydrophobicContact CG2-CG 3.69Å; I106-K108 HydrophobicContact CG2-CG 4.18Å
109S91.1Very high85.9Confident2 Ų246.3 Ų46.31%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-123.7136.7169.8-177.10000108.8H89 T90 L111 L237H89-S109 CarbonylContact C-O 3.6Å; H89-S109 VanDerWaalsContact CA-O 3.28Å; H89-S109 WeakPolarHBondContact CA-O 3.41Å; T90-S109 PolarHBondContact N-O 2.83Å; T90-S109 PolarHBondContact O-N 3.01Å; S109-L111 PolarHBondContact O-N 2.84Å; S109-L111 WeakPolarHBondContact OG-CG 3.28Å; S109-L111 PolarHBondContact OG-N 2.92Å; S109-L237 VanDerWaalsContact CB-O 3.23Å; S109-L237 WeakPolarHBondContact CB-O 3.46Å; S109-L237 PolarHBondContact OG-O 3.13Å
110P89.6Confident86.3Confident62 Ų6239.6 Ų39.640%0.40321%0.207SC..SBendtrans-73.70.8173.633.4-36.1000112.6A112 M236P110-A112 PolarHBondContact O-N 2.85Å; P110-M236 HydrophobicContact CB-CE 4.4Å; P110-M236 HydrophobicContact CG-CE 3.31Å; P110-M236 HydrophobicContact CG-SD 3.62Å
111L89.1Confident86.5Confident2 Ų242.3 Ų42.31%0.0122%0.215CC..  trans-77.6102.7174.4-59.5177.4000110T90 S109 F115 L222 P225 L231 M236T90-L111 WeakPolarHBondContact CB-O 3.46Å; T90-L111 PolarHBondContact OG1-O 3.06Å; S109-L111 PolarHBondContact O-N 2.84Å; S109-L111 WeakPolarHBondContact OG-CG 3.28Å; S109-L111 PolarHBondContact OG-N 2.92Å; L111-F115 HydrophobicContact CD2-CD1 4.08Å; L111-F115 HydrophobicContact CD2-CD2 3.91Å; L111-F115 HydrophobicContact CD2-CE1 4.3Å; L111-F115 HydrophobicContact CD2-CE2 4.14Å; L111-F115 HydrophobicContact CD2-CG 3.89Å; L111-F115 HydrophobicContact CD2-CZ 4.34Å; L111-L222 HydrophobicContact CB-CD2 4.16Å; L111-P225 HydrophobicContact CD1-CB 3.9Å; L111-P225 HydrophobicContact CD1-CG 3.53Å; L111-L231 HydrophobicContact CD2-CD1 3.66Å; L111-M236 HydrophobicContact CD1-CB 3.92Å; L111-M236 HydrophobicContact CD2-SD 3.59Å; L111-M236 VanDerWaalsContact CD2-SD 3.59Å; L111-M236 HydrophobicContact CG-CB 4.27Å; L111-M236 HydrophobicContact CG-SD 3.92Å
112A91Very high86.8Confident0 Ų042.7 Ų42.70%022%0.216CC..SBendtrans-158.9-155.3-17300000110.8G86 A87 H89 P110 D114 F115 M116G86-A112 WeakPolarHBondContact O-CB 3.27Å; A87-A112 WeakPolarHBondContact O-CB 3.38Å; H89-A112 VanDerWaalsContact C-CB 3.46Å; P110-A112 PolarHBondContact O-N 2.85Å; A112-D114 PolarHBondContact O-N 3.14Å; A112-F115 WeakPolarHBondContact O-CB 3.33Å; A112-F115 PolarHBondContact O-N 3.1Å; A112-M116 WeakPolarHBondContact O-CG 3.16Å; A112-M116 PolarHBondContact O-N 3.13Å
113G89.9Confident87.5Confident6 Ų639.2 Ų39.26%0.06220%0.2CC..Hα-helixtrans-67-33.8-173.800000114.5G86 A87 M116 S117 N268G86-G113 PolarHBondContact O-N 2.85Å; A87-G113 CarbonylContact O-C 3.53Å; A87-G113 WeakPolarHBondContact O-CA 3.45Å; A87-G113 PolarHBondContact O-N 2.99Å; G113-M116 PolarHBondContact O-N 2.92Å; G113-S117 WeakPolarHBondContact O-CB 3.47Å; G113-S117 PolarHBondContact O-N 3.19Å; G113-S117 PolarHBondContact O-OG 3.49Å; G113-N268 WeakPolarHBondContact CA-OD1 3.22Å; G113-N268 PolarHBondContact N-ND2 2.75Å
114D90.6Very high88.5Confident83 Ų8329.9 Ų29.944%0.44416%0.157SC..Hα-helixtrans-67.7-39.7176.8-70-18.2000111A87 T88 A112 S117 M118A87-D114 PolarHBondContact O-N 3.46Å; T88-D114 VanDerWaalsContact CG2-OD2 3.25Å; T88-D114 WeakPolarHBondContact CG2-OD2 3.45Å; A112-D114 PolarHBondContact O-N 3.14Å; D114-S117 PolarHBondContact O-N 2.6Å; D114-M118 PolarHBondContact O-N 3.21Å
115F90.5Very high89.7Confident18 Ų1834.7 Ų34.78%0.07917%0.171CC..Hα-helixtrans-60.7-48.7172.1164.7-98.7000110.9L111 A112 S117 M118 Q119 L222 A228 L231L111-F115 HydrophobicContact CD2-CD1 4.08Å; L111-F115 HydrophobicContact CD2-CD2 3.91Å; L111-F115 HydrophobicContact CD2-CE1 4.3Å; L111-F115 HydrophobicContact CD2-CE2 4.14Å; L111-F115 HydrophobicContact CD2-CG 3.89Å; L111-F115 HydrophobicContact CD2-CZ 4.34Å; A112-F115 WeakPolarHBondContact O-CB 3.33Å; A112-F115 PolarHBondContact O-N 3.1Å; F115-S117 VanDerWaalsContact C-N 3.27Å; F115-S117 PolarHBondContact O-N 2.96Å; F115-M118 WeakPolarHBondContact O-CB 3.28Å; F115-M118 PolarHBondContact O-N 3.23Å; F115-M118 VanDerWaalsContact O-N 3.17Å; F115-Q119 HydrophobicContact CD2-CG 4.33Å; F115-Q119 HydrophobicContact CE1-CG 4.02Å; F115-Q119 HydrophobicContact CE2-CG 3.73Å; F115-Q119 HydrophobicContact CZ-CG 3.54Å; F115-Q119 WeakPolarHBondContact O-CG 2.93Å; F115-Q119 PolarHBondContact O-N 2.89Å; F115-L222 HydrophobicContact CD1-CD2 4.03Å; F115-A228 HydrophobicContact CE2-CB 3.74Å; F115-A228 HydrophobicContact CZ-CB 3.41Å; F115-A228 VanDerWaalsContact CZ-CB 3.41Å; F115-L231 HydrophobicContact CD2-CD1 4.25Å; F115-L231 HydrophobicContact CE2-CD1 3.67Å; F115-L231 HydrophobicContact CE2-CG 4.24Å; F115-L231 HydrophobicContact CZ-CD1 4.31Å
116M90.6Very high90.4Very high2 Ų240.1 Ų40.11%0.0120%0.197CC..Hα-helixtrans-59.6-39.6175.5-67.6173.95800112.2A112 G113 M118 Q119 C120 Q177 L181 L222 N268 I271A112-M116 WeakPolarHBondContact O-CG 3.16Å; A112-M116 PolarHBondContact O-N 3.13Å; G113-M116 PolarHBondContact O-N 2.92Å; M116-M118 VanDerWaalsContact C-N 3.29Å; M116-M118 PolarHBondContact O-N 2.94Å; M116-Q119 PolarHBondContact O-N 2.76Å; M116-C120 PolarHBondContact O-N 3.38Å; M116-C120 PolarHBondContact O-SG 3Å; M116-Q177 VanDerWaalsContact C-NE2 3.26Å; M116-Q177 HydrophobicContact CE-CB 4.48Å; M116-Q177 HydrophobicContact CE-CG 4.29Å; M116-Q177 PolarHBondContact O-NE2 3.06Å; M116-L181 HydrophobicContact CE-CD1 3.36Å; M116-L222 HydrophobicContact CG-CD1 4.33Å; M116-L222 HydrophobicContact CG-CD2 4.24Å; M116-L222 HydrophobicContact CG-CG 4.37Å; M116-L222 HydrophobicContact SD-CD1 3.79Å; M116-L222 HydrophobicContact SD-CG 4.46Å; M116-N268 HydrophobicContact SD-CB 4.4Å; M116-I271 HydrophobicContact CE-CD1 3.36Å; M116-I271 HydrophobicContact CE-CG1 4.28Å; M116-I271 HydrophobicContact SD-CD1 3.62Å
117S92.2Very high90.3Very high7 Ų741.7 Ų41.75%0.04921%0.205CC..Hα-helixtrans-65.4-36179.2-58.60000111.7G113 D114 F115 R121 Q177G113-S117 WeakPolarHBondContact O-CB 3.47Å; G113-S117 PolarHBondContact O-N 3.19Å; G113-S117 PolarHBondContact O-OG 3.49Å; D114-S117 PolarHBondContact O-N 2.6Å; F115-S117 VanDerWaalsContact C-N 3.27Å; F115-S117 PolarHBondContact O-N 2.96Å; S117-R121 VanDerWaalsContact O-CG 3.25Å; S117-R121 WeakPolarHBondContact O-CG 3.35Å; S117-R121 PolarHBondContact O-N 3.27Å; S117-R121 VanDerWaalsContact O-N 3.11Å; S117-Q177 PolarHBondContact OG-NE2 3.45Å
118M90.8Very high90Very high110 Ų11046.5 Ų46.554%0.54224%0.24SC..Hα-helixtrans-64.4-48172-172.7-176.3-60.800111.5D114 F115 M116 C120 R121 E122D114-M118 PolarHBondContact O-N 3.21Å; F115-M118 WeakPolarHBondContact O-CB 3.28Å; F115-M118 PolarHBondContact O-N 3.23Å; F115-M118 VanDerWaalsContact O-N 3.17Å; M116-M118 VanDerWaalsContact C-N 3.29Å; M116-M118 PolarHBondContact O-N 2.94Å; M118-C120 VanDerWaalsContact C-N 3.34Å; M118-C120 PolarHBondContact O-N 2.89Å; M118-R121 WeakPolarHBondContact O-CB 3.37Å; M118-R121 PolarHBondContact O-N 3.47Å; M118-R121 VanDerWaalsContact O-N 3.08Å; M118-E122 PolarHBondContact O-N 3.1Å
119Q90.1Very high89.8Confident13 Ų1343.4 Ų43.46%0.06123%0.227CC..Hα-helixtrans-62.3-39178.2-64.7-61-82.400112.5F115 M116 R121 E122 L123 I218 K229F115-Q119 HydrophobicContact CD2-CG 4.33Å; F115-Q119 HydrophobicContact CE1-CG 4.02Å; F115-Q119 HydrophobicContact CE2-CG 3.73Å; F115-Q119 HydrophobicContact CZ-CG 3.54Å; F115-Q119 WeakPolarHBondContact O-CG 2.93Å; F115-Q119 PolarHBondContact O-N 2.89Å; M116-Q119 PolarHBondContact O-N 2.76Å; Q119-R121 VanDerWaalsContact C-N 3.33Å; Q119-R121 PolarHBondContact O-N 3.18Å; Q119-E122 PolarHBondContact NE2-OE2 3.37Å; Q119-E122 VanDerWaalsContact NE2-OE2 3.12Å; Q119-E122 PolarHBondContact O-N 3.38Å; Q119-L123 PolarHBondContact O-N 3.35Å; Q119-I218 HydrophobicContact CB-CG1 4.29Å; Q119-I218 HydrophobicContact CB-CG2 3.97Å; Q119-K229 PolarHBondContact NE2-O 2.97Å
120C91.3Very high89.5Confident0 Ų049.9 Ų49.90%026%0.257CS..Hα-helixtrans-62.8-39.1172.9-65.70000112M116 M118 L123 F124 I173 F176M116-C120 PolarHBondContact O-N 3.38Å; M116-C120 PolarHBondContact O-SG 3Å; M118-C120 VanDerWaalsContact C-N 3.34Å; M118-C120 PolarHBondContact O-N 2.89Å; C120-L123 PolarHBondContact O-N 3.4Å; C120-F124 HydrophobicContact CB-CE2 4.39Å; C120-F124 WeakPolarHBondContact O-CD2 3.43Å; C120-F124 WeakPolarHBondContact O-CG 3.37Å; C120-F124 PolarHBondContact O-N 2.99Å; C120-I173 HydrophobicContact CB-CG2 3.68Å; C120-F176 HydrophobicContact CB-CD1 4.38Å; C120-F176 HydrophobicContact CB-CE1 4.48Å
121R91.6Very high89.4Confident77 Ų7748.2 Ų48.229%0.29125%0.245SC..Hα-helixtrans-64.5-41.5176.7-73.1169.8178.9-721.5111.8S117 M118 Q119 F124 Q125 I131 N170 I173S117-R121 VanDerWaalsContact O-CG 3.25Å; S117-R121 WeakPolarHBondContact O-CG 3.35Å; S117-R121 PolarHBondContact O-N 3.27Å; S117-R121 VanDerWaalsContact O-N 3.11Å; M118-R121 WeakPolarHBondContact O-CB 3.37Å; M118-R121 PolarHBondContact O-N 3.47Å; M118-R121 VanDerWaalsContact O-N 3.08Å; Q119-R121 VanDerWaalsContact C-N 3.33Å; Q119-R121 PolarHBondContact O-N 3.18Å; R121-F124 PolarHBondContact O-N 2.97Å; R121-Q125 WeakPolarHBondContact O-CG 3.42Å; R121-Q125 PolarHBondContact O-N 3.38Å; R121-I131 HydrophobicContact CG-CD1 4.04Å; R121-N170 PolarHBondContact NH2-OD1 2.84Å; R121-I173 HydrophobicContact CG-CD1 3.51Å; R121-I173 VanDerWaalsContact NE-CD1 3.29Å; R121-I173 VanDerWaalsContact NH2-CD1 3.35Å
122E90.2Very high89.4Confident52 Ų5248.5 Ų48.524%0.24325%0.246CC..Hα-helixtrans-62.5-43.8175.1-70.8179.3176.100111.3M118 Q119 F124 Q125 E126 K229M118-E122 PolarHBondContact O-N 3.1Å; Q119-E122 PolarHBondContact NE2-OE2 3.37Å; Q119-E122 VanDerWaalsContact NE2-OE2 3.12Å; Q119-E122 PolarHBondContact O-N 3.38Å; E122-F124 PolarHBondContact O-N 3.32Å; E122-Q125 WeakPolarHBondContact O-CB 3.48Å; E122-Q125 PolarHBondContact O-N 2.74Å; E122-Q125 VanDerWaalsContact O-N 3.16Å; E122-E126 WeakPolarHBondContact O-CG 3.48Å; E122-E126 PolarHBondContact O-N 3.29Å; E122-K229 VanDerWaalsContact OE2-CB 3.28Å; E122-K229 WeakPolarHBondContact OE2-CB 3.43Å
123L89.7Confident89.3Confident19 Ų1948.5 Ų48.510%0.09925%0.246CC..Hα-helixtrans-57.4-47.3174.5176.764.8000111.7Q119 C120 Q125 E126 L127 F176 F211 E214 I218Q119-L123 PolarHBondContact O-N 3.35Å; C120-L123 PolarHBondContact O-N 3.4Å; L123-Q125 VanDerWaalsContact C-N 3.29Å; L123-Q125 PolarHBondContact O-N 3.29Å; L123-E126 PolarHBondContact O-N 2.93Å; L123-L127 HydrophobicContact CD1-CD1 4.1Å; L123-L127 HydrophobicContact CD1-CG 4.32Å; L123-L127 HydrophobicContact CG-CD1 4.08Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 2.88Å; L123-F176 HydrophobicContact CD2-CZ 4.31Å; L123-F211 HydrophobicContact CD2-CD1 4.42Å; L123-F211 HydrophobicContact CD2-CE1 4.27Å; L123-E214 HydrophobicContact CD1-CB 4.21Å; L123-E214 HydrophobicContact CD1-CG 4.25Å; L123-E214 HydrophobicContact CD2-CB 4.34Å; L123-E214 HydrophobicContact CD2-CG 4.01Å; L123-I218 HydrophobicContact CB-CD1 4.49Å; L123-I218 HydrophobicContact CD2-CD1 3.83Å
124F90.1Very high89.2Confident2 Ų251.2 Ų51.21%0.00926%0.263CS..Hα-helixtrans-65.2-32.9178.3-68.9-51.5000112.8C120 R121 E122 L127 S128 V129 I131 F176 L203 F211C120-F124 HydrophobicContact CB-CE2 4.39Å; C120-F124 WeakPolarHBondContact O-CD2 3.43Å; C120-F124 WeakPolarHBondContact O-CG 3.37Å; C120-F124 PolarHBondContact O-N 2.99Å; R121-F124 PolarHBondContact O-N 2.97Å; E122-F124 PolarHBondContact O-N 3.32Å; F124-L127 PolarHBondContact O-N 3.26Å; F124-S128 PolarHBondContact O-N 2.98Å; F124-V129 HydrophobicContact CB-CB 4.45Å; F124-V129 HydrophobicContact CD1-CB 4.3Å; F124-V129 HydrophobicContact CD1-CG1 4.38Å; F124-V129 PolarHBondContact O-N 3.36Å; F124-I131 HydrophobicContact CB-CD1 4.34Å; F124-I131 HydrophobicContact CB-CG1 4.27Å; F124-I131 HydrophobicContact CD2-CD1 3.67Å; F124-I131 HydrophobicContact CD2-CG1 3.95Å; F124-I131 HydrophobicContact CE2-CD1 4.44Å; F124-I131 HydrophobicContact CG-CD1 4.36Å; F124-I131 HydrophobicContact CG-CG1 4.29Å; F124-F176 HydrophobicContact CE1-CE2 4.4Å; F124-F176 HydrophobicContact CE2-CD1 4.21Å; F124-F176 HydrophobicContact CE2-CG 4.33Å; F124-F176 HydrophobicContact CZ-CB 4.34Å; F124-F176 AromaticContact CZ-CD1 3.9Å; F124-F176 HydrophobicContact CZ-CD1 3.9Å; F124-F176 AromaticContact CZ-CD2 3.82Å; F124-F176 HydrophobicContact CZ-CD2 3.82Å; F124-F176 HydrophobicContact CZ-CE1 4.11Å; F124-F176 HydrophobicContact CZ-CE2 4.03Å; F124-F176 AromaticContact CZ-CG 3.74Å; F124-F176 HydrophobicContact CZ-CG 3.74Å; F124-F176 HydrophobicContact CZ-CZ 4.17Å; F124-L203 HydrophobicContact CD1-CD1 4.47Å; F124-L203 HydrophobicContact CE1-CD1 4.08Å; F124-L203 HydrophobicContact CZ-CD2 4.26Å; F124-F211 HydrophobicContact CE1-CZ 4.27Å
125Q89.9Confident89Confident145 Ų14548.8 Ų48.868%0.67825%0.248SC*.Hα-helixtrans-65.8-42.2173.1-73.7173.6000112R121 E122 L123 L127 S128R121-Q125 WeakPolarHBondContact O-CG 3.42Å; R121-Q125 PolarHBondContact O-N 3.38Å; E122-Q125 WeakPolarHBondContact O-CB 3.48Å; E122-Q125 PolarHBondContact O-N 2.74Å; E122-Q125 VanDerWaalsContact O-N 3.16Å; L123-Q125 VanDerWaalsContact C-N 3.29Å; L123-Q125 PolarHBondContact O-N 3.29Å; Q125-L127 VanDerWaalsContact C-N 3.33Å; Q125-L127 PolarHBondContact O-N 3.07Å; Q125-S128 PolarHBondContact O-N 3.43Å
126E88.4Confident88.9Confident114 Ų11449.4 Ų49.453%0.53325%0.251SS..Hα-helixtrans-63.3-40176.3-71.8176174.300112E122 L123 S128 K229E122-E126 WeakPolarHBondContact O-CG 3.48Å; E122-E126 PolarHBondContact O-N 3.29Å; L123-E126 PolarHBondContact O-N 2.93Å; E126-S128 PolarHBondContact O-N 2.94Å; E126-K229 IonicContact OE1-NZ 3.94Å; E126-K229 PolarHBondContact OE1-NZ 3.25Å; E126-K229 IonicContact OE2-NZ 2.73Å; E126-K229 PolarHBondContact OE2-NZ 2.65Å
127L86.6Confident88.7Confident67 Ų6750.3 Ų50.335%0.35126%0.256SS..THydrogen-bonded Turntrans-74.7-1.2174.7-63174.2000113.1L123 F124 Q125 V129 F211L123-L127 HydrophobicContact CD1-CD1 4.1Å; L123-L127 HydrophobicContact CD1-CG 4.32Å; L123-L127 HydrophobicContact CG-CD1 4.08Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 2.88Å; F124-L127 PolarHBondContact O-N 3.26Å; Q125-L127 VanDerWaalsContact C-N 3.33Å; Q125-L127 PolarHBondContact O-N 3.07Å; L127-V129 HydrophobicContact CB-CG2 3.76Å; L127-V129 PolarHBondContact O-N 2.96Å; L127-F211 HydrophobicContact CD1-CE1 3.96Å
128S86.2Confident88.4Confident114 Ų11452.9 Ų52.980%0.79728%0.278SS*.THydrogen-bonded Turntrans55.735.4-175.1-57.50000113.5F124 Q125 E126F124-S128 PolarHBondContact O-N 2.98Å; Q125-S128 PolarHBondContact O-N 3.43Å; E126-S128 PolarHBondContact O-N 2.94Å
129V85.9Confident88.1Confident17 Ų1750 Ų5010%0.10327%0.268CS..  trans-102.2123.6-179.3-178.30000110.4F124 L127 L203 Y207F124-V129 HydrophobicContact CB-CB 4.45Å; F124-V129 HydrophobicContact CD1-CB 4.3Å; F124-V129 HydrophobicContact CD1-CG1 4.38Å; F124-V129 PolarHBondContact O-N 3.36Å; L127-V129 HydrophobicContact CB-CG2 3.76Å; L127-V129 PolarHBondContact O-N 2.96Å; V129-L203 HydrophobicContact CG1-CD1 3.46Å; V129-L203 VanDerWaalsContact CG1-CD1 3.46Å; V129-Y207 HydrophobicContact CG1-CD1 3.95Å; V129-Y207 HydrophobicContact CG1-CD2 4.43Å; V129-Y207 HydrophobicContact CG1-CE1 4.34Å; V129-Y207 HydrophobicContact CG1-CG 3.98Å; V129-Y207 HydrophobicContact CG2-CD1 4Å; V129-Y207 HydrophobicContact CG2-CD2 3.97Å; V129-Y207 HydrophobicContact CG2-CE1 3.6Å; V129-Y207 HydrophobicContact CG2-CE2 3.57Å; V129-Y207 HydrophobicContact CG2-CG 4.16Å
130E85.6Confident88Confident138 Ų13853.8 Ų53.865%0.64528%0.284SS*.  trans-82.8130175.4-164.9-177.2-17700111.4I132 N205E130-I132 HydrophobicContact CB-CD1 4.1Å; E130-I132 HydrophobicContact CB-CG1 4.36Å; E130-I132 HydrophobicContact CG-CD1 4.28Å; E130-I132 HydrophobicContact CG-CG1 4.05Å; E130-I132 PolarHBondContact O-N 3.17Å; E130-N205 PolarHBondContact O-ND2 2.62Å; E130-N205 VanDerWaalsContact O-ND2 3.11Å
131I87.8Confident87.7Confident27 Ų2757 Ų5714%0.13830%0.301CS..  trans-82.7100.2177-53.5174.4000108.7R121 F124 C169 V172 I173R121-I131 HydrophobicContact CG-CD1 4.04Å; F124-I131 HydrophobicContact CB-CD1 4.34Å; F124-I131 HydrophobicContact CB-CG1 4.27Å; F124-I131 HydrophobicContact CD2-CD1 3.67Å; F124-I131 HydrophobicContact CD2-CG1 3.95Å; F124-I131 HydrophobicContact CE2-CD1 4.44Å; F124-I131 HydrophobicContact CG-CD1 4.36Å; F124-I131 HydrophobicContact CG-CG1 4.29Å; I131-C169 HydrophobicContact CG2-CB 4.25Å; I131-V172 HydrophobicContact CG2-CB 4.23Å; I131-V172 HydrophobicContact CG2-CG1 4.24Å; I131-I173 HydrophobicContact CD1-CD1 3.76Å; I131-I173 HydrophobicContact CD1-CG1 3.86Å; I131-I173 HydrophobicContact CG2-CG1 4.41Å
132I88.3Confident87.1Confident7 Ų759.4 Ų59.44%0.03633%0.327CS..  trans-106.6124.5-178.7-64.1140.9000110E130 M136 I137 W151 N205E130-I132 HydrophobicContact CB-CD1 4.1Å; E130-I132 HydrophobicContact CB-CG1 4.36Å; E130-I132 HydrophobicContact CG-CD1 4.28Å; E130-I132 HydrophobicContact CG-CG1 4.05Å; E130-I132 PolarHBondContact O-N 3.17Å; I132-M136 HydrophobicContact CG2-CB 4.07Å; I132-I137 HydrophobicContact CG2-CD1 3.96Å; I132-I137 HydrophobicContact CG2-CG1 3.75Å; I132-W151 HydrophobicContact CB-CZ2 4.38Å; I132-W151 HydrophobicContact CD1-CD2 4.35Å; I132-W151 HydrophobicContact CD1-CH2 4.32Å; I132-W151 HydrophobicContact CD1-CZ2 3.32Å; I132-W151 HydrophobicContact CG1-CH2 4.36Å; I132-W151 HydrophobicContact CG1-CZ2 3.77Å; I132-W151 HydrophobicContact CG2-CE3 4.43Å; I132-W151 HydrophobicContact CG2-CH2 3.68Å; I132-W151 HydrophobicContact CG2-CZ2 3.85Å; I132-W151 HydrophobicContact CG2-CZ3 3.99Å; I132-N205 HydrophobicContact CB-CB 4.26Å; I132-N205 HydrophobicContact CD1-CB 3.95Å
133P88.9Confident86.8Confident1 Ų158.3 Ų58.31%0.00632%0.324CS..  trans-74.4148.4-179.129-33.7000111.9Y135 M136 M168P133-Y135 HydrophobicContact CB-CD1 3.64Å; P133-Y135 HydrophobicContact CB-CE1 3.58Å; P133-Y135 HydrophobicContact CG-CD1 3.67Å; P133-Y135 HydrophobicContact CG-CE1 3.14Å; P133-Y135 PolarHBondContact O-N 2.88Å; P133-M136 HydrophobicContact CG-CG 4.11Å; P133-M136 HydrophobicContact CG-SD 3.85Å; P133-M136 PolarHBondContact O-N 3.43Å; P133-M168 HydrophobicContact CB-CB 3.59Å; P133-M168 HydrophobicContact CG-CB 4.42Å
134P87.3Confident86.5Confident62 Ų6267.7 Ų67.740%0.40336%0.358SS..G310 helixtrans-56.2-30.8-173.7-26.832.8000115.1M136 I137 V172 P204P134-M136 PolarHBondContact O-N 2.91Å; P134-I137 PolarHBondContact O-N 3.4Å; P134-I137 VanDerWaalsContact O-N 3.16Å; P134-V172 HydrophobicContact CG-CG2 4.49Å; P134-P204 HydrophobicContact CG-CB 4.03Å; P134-P204 HydrophobicContact CG-CG 4.1Å
135Y87.6Confident86.1Confident33 Ų3372.5 Ų72.513%0.12938%0.381CS..G310 helixtrans-64.4-22.9-177.979.3-95.1000113.1P133 K154 L157 V160 W164 H165 M168P133-Y135 HydrophobicContact CB-CD1 3.64Å; P133-Y135 HydrophobicContact CB-CE1 3.58Å; P133-Y135 HydrophobicContact CG-CD1 3.67Å; P133-Y135 HydrophobicContact CG-CE1 3.14Å; P133-Y135 PolarHBondContact O-N 2.88Å; Y135-K154 WeakPolarHBondContact O-CD 3.39Å; Y135-K154 WeakPolarHBondContact O-CE 3.33Å; Y135-K154 PolarHBondContact O-NZ 3.42Å; Y135-L157 HydrophobicContact CD2-CD2 4.32Å; Y135-L157 HydrophobicContact CE2-CD2 4.47Å; Y135-V160 HydrophobicContact CE2-CG2 4.11Å; Y135-W164 HydrophobicContact CD1-CE3 4.36Å; Y135-W164 AromaticContact CD1-CH2 3.29Å; Y135-W164 HydrophobicContact CD1-CH2 3.29Å; Y135-W164 HydrophobicContact CD1-CZ2 4.44Å; Y135-W164 AromaticContact CD1-CZ3 3.25Å; Y135-W164 HydrophobicContact CD1-CZ3 3.25Å; Y135-W164 AromaticContact CD2-CH2 3.88Å; Y135-W164 HydrophobicContact CD2-CH2 3.88Å; Y135-W164 AromaticContact CD2-CZ3 3.72Å; Y135-W164 HydrophobicContact CD2-CZ3 3.72Å; Y135-W164 AromaticContact CE1-CE3 3.96Å; Y135-W164 HydrophobicContact CE1-CE3 3.96Å; Y135-W164 AromaticContact CE1-CH2 3.74Å; Y135-W164 HydrophobicContact CE1-CH2 3.74Å; Y135-W164 AromaticContact CE1-CZ3 3.13Å; Y135-W164 HydrophobicContact CE1-CZ3 3.13Å; Y135-W164 HydrophobicContact CE2-CH2 4.29Å; Y135-W164 AromaticContact CE2-CZ3 3.64Å; Y135-W164 HydrophobicContact CE2-CZ3 3.64Å; Y135-W164 AromaticContact CG-CH2 3.38Å; Y135-W164 HydrophobicContact CG-CH2 3.38Å; Y135-W164 AromaticContact CG-CZ3 3.54Å; Y135-W164 HydrophobicContact CG-CZ3 3.54Å; Y135-W164 AromaticContact CZ-CZ3 3.36Å; Y135-H165 AromaticContact CE1-ND1 3.98Å; Y135-H165 AromaticContact CZ-ND1 3.74Å; Y135-H165 PolarHBondContact OH-ND1 2.81Å; Y135-M168 HydrophobicContact CD1-CB 4.13Å; Y135-M168 HydrophobicContact CD1-CG 3.99Å; Y135-M168 HydrophobicContact CE1-CB 4.08Å; Y135-M168 HydrophobicContact CE1-CG 4.16Å
136M86.9Confident85.5Confident31 Ų3167.8 Ų67.815%0.15337%0.371CS..G310 helixtrans-81.9-17.3179.6-67.2-178.363.200113.3I132 P133 P134 W151 K153 K154 L157I132-M136 HydrophobicContact CG2-CB 4.07Å; P133-M136 HydrophobicContact CG-CG 4.11Å; P133-M136 HydrophobicContact CG-SD 3.85Å; P133-M136 PolarHBondContact O-N 3.43Å; P134-M136 PolarHBondContact O-N 2.91Å; M136-W151 HydrophobicContact CB-CZ3 4.27Å; M136-K153 WeakPolarHBondContact O-CA 3.19Å; M136-K154 PolarHBondContact O-N 3.23Å; M136-L157 HydrophobicContact CG-CD2 4.41Å
137I87.6Confident85.2Confident21 Ų2164.3 Ų64.311%0.10836%0.359CS..EExtended strand (participates in β ladder)trans-96.6118.4-165.4-55.1172000109.7I132 P134 W151 K154 P204 N205I132-I137 HydrophobicContact CG2-CD1 3.96Å; I132-I137 HydrophobicContact CG2-CG1 3.75Å; P134-I137 PolarHBondContact O-N 3.4Å; P134-I137 VanDerWaalsContact O-N 3.16Å; I137-W151 HydrophobicContact CB-CE3 4.29Å; I137-W151 HydrophobicContact CG1-CD2 4.46Å; I137-W151 HydrophobicContact CG1-CE3 3.84Å; I137-W151 HydrophobicContact CG1-CZ3 4.17Å; I137-W151 HydrophobicContact CG2-CB 4.35Å; I137-W151 HydrophobicContact CG2-CE3 4.34Å; I137-K154 WeakPolarHBondContact O-CE 3.13Å; I137-P204 HydrophobicContact CD1-CB 3.8Å; I137-P204 VanDerWaalsContact CD1-O 3.27Å; I137-P204 WeakPolarHBondContact CD1-O 3.43Å; I137-N205 HydrophobicContact CD1-CB 4.19Å
138A85.9Confident85Confident61 Ų6166.6 Ų66.650%0.50438%0.378SS..EExtended strand (participates in β ladder)trans-83.7-49.1176.200000111.6K152 K154A138-K152 HydrophobicContact CB-CB 4.43Å; A138-K152 WeakPolarHBondContact CB-O 3.31Å; A138-K152 PolarHBondContact N-O 3.33Å; A138-K154 HydrophobicContact CB-CB 4.4Å; A138-K154 HydrophobicContact CB-CG 3.73Å
139S84.8Confident84.8Confident49 Ų4962.7 Ų62.734%0.34335%0.353SS..EExtended strand (participates in β ladder)trans-151.6156.7177.965.80000109W151 K152S139-W151 WeakPolarHBondContact O-CA 3.32Å; S139-K152 PolarHBondContact O-N 3.38Å; S139-K152 WeakPolarHBondContact OG-CD 3.34Å
140K87.1Confident84.7Confident93 Ų9364.4 Ų64.440%0.40437%0.365SS..EExtended strand (participates in β ladder)trans-125.1147.3172.460.2175.5-178.7169.50109.3E202K140-E202 IonicContact NZ-OE1 2.73Å; K140-E202 PolarHBondContact NZ-OE1 3.46Å; K140-E202 IonicContact NZ-OE2 2.75Å; K140-E202 PolarHBondContact NZ-OE2 2.82Å
141D84.4Confident84.8Confident66 Ų6660.8 Ų60.835%0.35335%0.346SS..  trans-105.1144.3172.7-59.8-64.2000108.8V143 S150D141-V143 PolarHBondContact O-N 2.9Å; D141-S150 PolarHBondContact N-O 3.04Å; D141-S150 PolarHBondContact OD2-OG 3.43Å
142P79.1Confident84.7Confident129 Ų12965.4 Ų65.484%0.83837%0.365SS*.  trans-64.8124176.926.9-32.8000109.6
143V85.8Confident84.6Confident29 Ų2971 Ų7118%0.17639%0.389CS..  trans-111153.5174.8-63.70000110.1D141 G206 N208D141-V143 PolarHBondContact O-N 2.9Å; V143-G206 WeakPolarHBondContact CG2-O 3.07Å; V143-N208 PolarHBondContact O-ND2 2.95Å
144R83Confident84.5Confident216 Ų21675 Ų7582%0.81541%0.406SS*.  trans-65.1153.1172.2-65.2-179-176.8-174.70.2109.5G146 S147R144-G146 PolarHBondContact O-N 3.07Å; R144-S147 WeakPolarHBondContact O-CB 3.44Å; R144-S147 PolarHBondContact O-N 2.75Å; R144-S147 PolarHBondContact O-OG 3.29Å
145E81.3Confident84.1Confident103 Ų10381.4 Ų81.448%0.48143%0.431SS..THydrogen-bonded Turntrans-52.7135.7177-162-170.1156.100112S147 N208 D210E145-S147 PolarHBondContact O-N 2.82Å; E145-N208 VanDerWaalsContact CA-OD1 3.26Å; E145-N208 WeakPolarHBondContact CA-OD1 3.24Å; E145-D210 WeakPolarHBondContact OE1-CB 3.45Å; E145-D210 PolarHBondContact OE1-N 3.12Å
146G77.9Confident83.9Confident46 Ų4688.8 Ų88.847%0.47446%0.464SS..THydrogen-bonded Turntrans67.80.6-178.600000115R144 N208R144-G146 PolarHBondContact O-N 3.07Å; G146-N208 PolarHBondContact N-O 2.97Å
147S81.6Confident83.6Confident41 Ų4190.3 Ų90.329%0.28747%0.472SS..SBendtrans-81.9151175.2-57.80000111R144 E145 A149 Y207R144-S147 WeakPolarHBondContact O-CB 3.44Å; R144-S147 PolarHBondContact O-N 2.75Å; R144-S147 PolarHBondContact O-OG 3.29Å; E145-S147 PolarHBondContact O-N 2.82Å; S147-A149 PolarHBondContact O-N 3.32Å; S147-Y207 WeakPolarHBondContact O-CD2 3.49Å
148P81.3Confident83.4Confident115 Ų11593 Ų9375%0.74749%0.491SS*.PPolyproline II helixtrans-54.4140.2176.5-25.834.3000112.3S150P148-S150 PolarHBondContact O-N 3.48Å
149A83.3Confident83.2Confident32 Ų3299.9 Ų99.926%0.26451%0.513SS..PPolyproline II helixtrans-58.1132178.700000112.1S147 N205S147-A149 PolarHBondContact O-N 3.32Å; A149-N205 HydrophobicContact CB-CB 4.13Å
150S84.1Confident83.4Confident52 Ų52100.2 Ų100.236%0.36451%0.512SS..  trans-105.2104.5168.2-175.60000109.7D141 P148D141-S150 PolarHBondContact N-O 3.04Å; D141-S150 PolarHBondContact OD2-OG 3.43Å; P148-S150 PolarHBondContact O-N 3.48Å
151W86.7Confident83.6Confident63 Ų6399.8 Ų99.824%0.23952%0.518CS..EExtended strand (participates in β ladder)trans-140150.4178.466.7-76.9000111.7I132 M136 I137 S139 K153 N205I132-W151 HydrophobicContact CB-CZ2 4.38Å; I132-W151 HydrophobicContact CD1-CD2 4.35Å; I132-W151 HydrophobicContact CD1-CH2 4.32Å; I132-W151 HydrophobicContact CD1-CZ2 3.32Å; I132-W151 HydrophobicContact CG1-CH2 4.36Å; I132-W151 HydrophobicContact CG1-CZ2 3.77Å; I132-W151 HydrophobicContact CG2-CE3 4.43Å; I132-W151 HydrophobicContact CG2-CH2 3.68Å; I132-W151 HydrophobicContact CG2-CZ2 3.85Å; I132-W151 HydrophobicContact CG2-CZ3 3.99Å; M136-W151 HydrophobicContact CB-CZ3 4.27Å; I137-W151 HydrophobicContact CB-CE3 4.29Å; I137-W151 HydrophobicContact CG1-CD2 4.46Å; I137-W151 HydrophobicContact CG1-CE3 3.84Å; I137-W151 HydrophobicContact CG1-CZ3 4.17Å; I137-W151 HydrophobicContact CG2-CB 4.35Å; I137-W151 HydrophobicContact CG2-CE3 4.34Å; S139-W151 WeakPolarHBondContact O-CA 3.32Å; W151-K153 HydrophobicContact CH2-CB 4.26Å; W151-K153 HydrophobicContact CH2-CG 4.43Å; W151-K153 HydrophobicContact CZ3-CB 3.8Å; W151-K153 HydrophobicContact CZ3-CG 4.16Å; W151-N205 HydrophobicContact CG-CB 4.22Å
152K85.6Confident83.8Confident123 Ų123106.5 Ų106.554%0.53554%0.538SS..EExtended strand (participates in β ladder)trans-101.3131.6176-62.7-175.8-174.11690109.6A138 S139A138-K152 HydrophobicContact CB-CB 4.43Å; A138-K152 WeakPolarHBondContact CB-O 3.31Å; A138-K152 PolarHBondContact N-O 3.33Å; S139-K152 PolarHBondContact O-N 3.38Å; S139-K152 WeakPolarHBondContact OG-CD 3.34Å
153K86.3Confident84.4Confident125 Ų125104.5 Ų104.554%0.54353%0.527SS..EExtended strand (participates in β ladder)trans-74.6140.3175.3-172175.3178177.30110.6M136 W151 E155 L157M136-K153 WeakPolarHBondContact O-CA 3.19Å; W151-K153 HydrophobicContact CH2-CB 4.26Å; W151-K153 HydrophobicContact CH2-CG 4.43Å; W151-K153 HydrophobicContact CZ3-CB 3.8Å; W151-K153 HydrophobicContact CZ3-CG 4.16Å; K153-E155 PolarHBondContact O-N 2.84Å; K153-L157 HydrophobicContact CD-CD1 4.37Å; K153-L157 HydrophobicContact CG-CD1 4.25Å
154K87.3Confident84.6Confident86 Ų86107.6 Ų107.637%0.37454%0.536SS..PPolyproline II helixtrans-61.8132.9172.7-66.7-172.2-167.9175.50110.6Y135 M136 I137 A138 L157Y135-K154 WeakPolarHBondContact O-CD 3.39Å; Y135-K154 WeakPolarHBondContact O-CE 3.33Å; Y135-K154 PolarHBondContact O-NZ 3.42Å; M136-K154 PolarHBondContact O-N 3.23Å; I137-K154 WeakPolarHBondContact O-CE 3.13Å; A138-K154 HydrophobicContact CB-CB 4.4Å; A138-K154 HydrophobicContact CB-CG 3.73Å; K154-L157 HydrophobicContact CB-CD2 3.85Å; K154-L157 HydrophobicContact CB-CG 4.4Å
155E79.1Confident85Confident195 Ų195100 Ų10091%0.91151%0.51SS*.SBendtrans-68-38.1178.9-63-179.517400112K153K153-E155 PolarHBondContact O-N 2.84Å
156K82.5Confident85.4Confident189 Ų18998.6 Ų98.682%0.82251%0.505SS*.SBendtrans-10890.2178.4-64.7-178-176.5177.90109.5
157L82Confident86.1Confident62 Ų62103.1 Ų103.133%0.32551%0.509SS..PPolyproline II helixtrans-88.7137.9172.4-68.9172000110.5Y135 M136 K153 K154Y135-L157 HydrophobicContact CD2-CD2 4.32Å; Y135-L157 HydrophobicContact CE2-CD2 4.47Å; M136-L157 HydrophobicContact CG-CD2 4.41Å; K153-L157 HydrophobicContact CD-CD1 4.37Å; K153-L157 HydrophobicContact CG-CD1 4.25Å; K154-L157 HydrophobicContact CB-CD2 3.85Å; K154-L157 HydrophobicContact CB-CG 4.4Å
158P81.7Confident86.6Confident79 Ų79103 Ų10351%0.51350%0.504SS..PPolyproline II helixtrans-62.4144.5165.827.1-31.4000109.4V160P158-V160 HydrophobicContact CB-CG1 4.15Å; P158-V160 HydrophobicContact CG-CG1 3.92Å; P158-V160 PolarHBondContact O-N 3.11Å
159Q82.7Confident87.1Confident205 Ų20597.8 Ų97.896%0.95847%0.471SS*.PPolyproline II helixtrans-68.1117.6166-72.6-161.82.100108.1
160V88Confident87.5Confident55 Ų5599 Ų9933%0.33347%0.473SS..  trans-122.6146.5-176.8-65.10000109.7Y135 P158 W164Y135-V160 HydrophobicContact CE2-CG2 4.11Å; P158-V160 HydrophobicContact CB-CG1 4.15Å; P158-V160 HydrophobicContact CG-CG1 3.92Å; P158-V160 PolarHBondContact O-N 3.11Å; V160-W164 HydrophobicContact CB-CD2 4.28Å; V160-W164 HydrophobicContact CB-CE3 3.49Å; V160-W164 VanDerWaalsContact CB-CE3 3.49Å; V160-W164 HydrophobicContact CB-CZ3 3.87Å; V160-W164 HydrophobicContact CG1-CD2 4.21Å; V160-W164 HydrophobicContact CG1-CE3 3.51Å; V160-W164 HydrophobicContact CG1-CH2 4.21Å; V160-W164 HydrophobicContact CG1-CZ3 3.46Å; V160-W164 VanDerWaalsContact CG1-CZ3 3.46Å; V160-W164 HydrophobicContact CG2-CE3 3.85Å; V160-W164 HydrophobicContact CG2-CZ3 4.01Å
161T91.4Very high87.9Confident85 Ų8598.4 Ų98.452%0.52147%0.468SS..  trans-72156175.859.50000110.5S163 W164 H165T161-S163 PolarHBondContact O-N 2.71Å; T161-S163 PolarHBondContact OG1-OG 3.2Å; T161-S163 VanDerWaalsContact OG1-OG 3.07Å; T161-W164 PolarHBondContact O-N 3.22Å; T161-W164 WeakPolarHBondContact OG1-CB 3.37Å; T161-W164 PolarHBondContact OG1-N 3.38Å; T161-H165 PolarHBondContact O-N 2.78Å
162R90.1Very high88.2Confident207 Ų20795.8 Ų95.878%0.78146%0.459SS*.Hα-helixtrans-57.9-38.2174-176.7179.5177.8-171.3-1.3112.1H165 N166R162-H165 PolarHBondContact O-N 2.82Å; R162-N166 WeakPolarHBondContact O-CB 2.96Å; R162-N166 VanDerWaalsContact O-CG 3.26Å; R162-N166 PolarHBondContact O-N 2.97Å
163S90.3Very high88.5Confident87 Ų8790 Ų9061%0.60843%0.434SS*.Hα-helixtrans-63.1-43178.251.30000112T161 N166 Y167T161-S163 PolarHBondContact O-N 2.71Å; T161-S163 PolarHBondContact OG1-OG 3.2Å; T161-S163 VanDerWaalsContact OG1-OG 3.07Å; S163-N166 PolarHBondContact O-N 3.27Å; S163-Y167 PolarHBondContact O-N 2.91Å
164W91.4Very high88.7Confident93 Ų9388.8 Ų88.835%0.35243%0.43SS..Hα-helixtrans-67.6-40.7176.9-175.590.4000112.1Y135 V160 T161 N166 Y167 M168Y135-W164 HydrophobicContact CD1-CE3 4.36Å; Y135-W164 AromaticContact CD1-CH2 3.29Å; Y135-W164 HydrophobicContact CD1-CH2 3.29Å; Y135-W164 HydrophobicContact CD1-CZ2 4.44Å; Y135-W164 AromaticContact CD1-CZ3 3.25Å; Y135-W164 HydrophobicContact CD1-CZ3 3.25Å; Y135-W164 AromaticContact CD2-CH2 3.88Å; Y135-W164 HydrophobicContact CD2-CH2 3.88Å; Y135-W164 AromaticContact CD2-CZ3 3.72Å; Y135-W164 HydrophobicContact CD2-CZ3 3.72Å; Y135-W164 AromaticContact CE1-CE3 3.96Å; Y135-W164 HydrophobicContact CE1-CE3 3.96Å; Y135-W164 AromaticContact CE1-CH2 3.74Å; Y135-W164 HydrophobicContact CE1-CH2 3.74Å; Y135-W164 AromaticContact CE1-CZ3 3.13Å; Y135-W164 HydrophobicContact CE1-CZ3 3.13Å; Y135-W164 HydrophobicContact CE2-CH2 4.29Å; Y135-W164 AromaticContact CE2-CZ3 3.64Å; Y135-W164 HydrophobicContact CE2-CZ3 3.64Å; Y135-W164 AromaticContact CG-CH2 3.38Å; Y135-W164 HydrophobicContact CG-CH2 3.38Å; Y135-W164 AromaticContact CG-CZ3 3.54Å; Y135-W164 HydrophobicContact CG-CZ3 3.54Å; Y135-W164 AromaticContact CZ-CZ3 3.36Å; V160-W164 HydrophobicContact CB-CD2 4.28Å; V160-W164 HydrophobicContact CB-CE3 3.49Å; V160-W164 VanDerWaalsContact CB-CE3 3.49Å; V160-W164 HydrophobicContact CB-CZ3 3.87Å; V160-W164 HydrophobicContact CG1-CD2 4.21Å; V160-W164 HydrophobicContact CG1-CE3 3.51Å; V160-W164 HydrophobicContact CG1-CH2 4.21Å; V160-W164 HydrophobicContact CG1-CZ3 3.46Å; V160-W164 VanDerWaalsContact CG1-CZ3 3.46Å; V160-W164 HydrophobicContact CG2-CE3 3.85Å; V160-W164 HydrophobicContact CG2-CZ3 4.01Å; T161-W164 PolarHBondContact O-N 3.22Å; T161-W164 WeakPolarHBondContact OG1-CB 3.37Å; T161-W164 PolarHBondContact OG1-N 3.38Å; W164-N166 PolarHBondContact O-N 3.24Å; W164-Y167 WeakPolarHBondContact O-CB 3.45Å; W164-Y167 PolarHBondContact O-N 2.66Å; W164-M168 HydrophobicContact CD2-CG 3.95Å; W164-M168 HydrophobicContact CE3-CG 3.97Å; W164-M168 HydrophobicContact CH2-CG 3.74Å; W164-M168 HydrophobicContact CH2-SD 4.36Å; W164-M168 HydrophobicContact CZ2-CG 3.64Å; W164-M168 HydrophobicContact CZ2-SD 3.83Å; W164-M168 HydrophobicContact CZ3-CG 3.91Å; W164-M168 WeakPolarHBondContact O-CG 3.4Å; W164-M168 PolarHBondContact O-N 2.72Å
165H90.3Very high89Confident58 Ų5888.8 Ų88.827%0.26943%0.434SS..Hα-helixtrans-58.1-48.4173.4176.376.5000111.6Y135 T161 R162 Y167 M168 C169Y135-H165 AromaticContact CE1-ND1 3.98Å; Y135-H165 AromaticContact CZ-ND1 3.74Å; Y135-H165 PolarHBondContact OH-ND1 2.81Å; T161-H165 PolarHBondContact O-N 2.78Å; R162-H165 PolarHBondContact O-N 2.82Å; H165-Y167 VanDerWaalsContact C-N 3.31Å; H165-Y167 PolarHBondContact O-N 3.46Å; H165-M168 PolarHBondContact O-N 3.3Å; H165-C169 PolarHBondContact O-N 2.83Å; H165-C169 PolarHBondContact O-SG 3.08Å; H165-C169 VanDerWaalsContact O-SG 3.32Å
166N90.9Very high89.6Confident73 Ų7379.6 Ų79.639%0.3939%0.391SS..Hα-helixtrans-60-40.4177.7-72.3-9.7000112.4R162 S163 W164 C169 N170R162-N166 WeakPolarHBondContact O-CB 2.96Å; R162-N166 VanDerWaalsContact O-CG 3.26Å; R162-N166 PolarHBondContact O-N 2.97Å; S163-N166 PolarHBondContact O-N 3.27Å; W164-N166 PolarHBondContact O-N 3.24Å; N166-C169 PolarHBondContact O-N 2.86Å; N166-N170 PolarHBondContact O-N 2.86Å
167Y91.4Very high90.1Very high140 Ų14071.4 Ų71.455%0.54936%0.356SS..Hα-helixtrans-59.4-48.1174.7170.8-99.7000111.5S163 W164 H165 C169 N170 C171S163-Y167 PolarHBondContact O-N 2.91Å; W164-Y167 WeakPolarHBondContact O-CB 3.45Å; W164-Y167 PolarHBondContact O-N 2.66Å; H165-Y167 VanDerWaalsContact C-N 3.31Å; H165-Y167 PolarHBondContact O-N 3.46Å; Y167-C169 VanDerWaalsContact C-N 3.31Å; Y167-C169 PolarHBondContact O-N 3.36Å; Y167-N170 WeakPolarHBondContact O-CB 3.28Å; Y167-N170 PolarHBondContact O-N 2.68Å; Y167-N170 VanDerWaalsContact O-N 3.1Å; Y167-C171 PolarHBondContact O-N 3.34Å; Y167-C171 PolarHBondContact O-SG 3.11Å; Y167-C171 VanDerWaalsContact O-SG 3.38Å
168M92.1Very high90.4Very high38 Ų3872.5 Ų72.519%0.18737%0.374CS..Hα-helixtrans-62.6-38.1178.1-67.1-59.4-60.900112.3P133 Y135 W164 H165 C171 V172P133-M168 HydrophobicContact CB-CB 3.59Å; P133-M168 HydrophobicContact CG-CB 4.42Å; Y135-M168 HydrophobicContact CD1-CB 4.13Å; Y135-M168 HydrophobicContact CD1-CG 3.99Å; Y135-M168 HydrophobicContact CE1-CB 4.08Å; Y135-M168 HydrophobicContact CE1-CG 4.16Å; W164-M168 HydrophobicContact CD2-CG 3.95Å; W164-M168 HydrophobicContact CE3-CG 3.97Å; W164-M168 HydrophobicContact CH2-CG 3.74Å; W164-M168 HydrophobicContact CH2-SD 4.36Å; W164-M168 HydrophobicContact CZ2-CG 3.64Å; W164-M168 HydrophobicContact CZ2-SD 3.83Å; W164-M168 HydrophobicContact CZ3-CG 3.91Å; W164-M168 WeakPolarHBondContact O-CG 3.4Å; W164-M168 PolarHBondContact O-N 2.72Å; H165-M168 PolarHBondContact O-N 3.3Å; M168-C171 WeakPolarHBondContact O-CB 3.27Å; M168-C171 PolarHBondContact O-N 2.89Å; M168-V172 PolarHBondContact O-N 2.92Å
169C91.4Very high90.9Very high7 Ų772 Ų725%0.04737%0.372CS..Hα-helixtrans-65.2-38.5173.7-63.80000112.1I131 H165 N166 Y167 C171 V172 I173I131-C169 HydrophobicContact CG2-CB 4.25Å; H165-C169 PolarHBondContact O-N 2.83Å; H165-C169 PolarHBondContact O-SG 3.08Å; H165-C169 VanDerWaalsContact O-SG 3.32Å; N166-C169 PolarHBondContact O-N 2.86Å; Y167-C169 VanDerWaalsContact C-N 3.31Å; Y167-C169 PolarHBondContact O-N 3.36Å; C169-C171 VanDerWaalsContact C-N 3.32Å; C169-C171 PolarHBondContact O-N 2.97Å; C169-V172 PolarHBondContact O-N 3.28Å; C169-I173 PolarHBondContact O-N 3.03Å
170N91.6Very high91.3Very high57 Ų5762.4 Ų62.431%0.30533%0.328SS..Hα-helixtrans-62.2-38.7173.3-78.3-25000111.8R121 N166 Y167 V172 I173 Q174R121-N170 PolarHBondContact NH2-OD1 2.84Å; N166-N170 PolarHBondContact O-N 2.86Å; Y167-N170 WeakPolarHBondContact O-CB 3.28Å; Y167-N170 PolarHBondContact O-N 2.68Å; Y167-N170 VanDerWaalsContact O-N 3.1Å; N170-V172 VanDerWaalsContact C-N 3.31Å; N170-V172 PolarHBondContact O-N 3.16Å; N170-I173 PolarHBondContact O-N 3.22Å; N170-Q174 WeakPolarHBondContact O-CG 3.31Å; N170-Q174 PolarHBondContact O-N 3.45Å
171C92.4Very high91.6Very high40 Ų4060.1 Ų60.127%0.2731%0.314SS..Hα-helixtrans-61.1-39.4176.6-66.10000112.4Y167 M168 C169 I173 Q174 D175Y167-C171 PolarHBondContact O-N 3.34Å; Y167-C171 PolarHBondContact O-SG 3.11Å; Y167-C171 VanDerWaalsContact O-SG 3.38Å; M168-C171 WeakPolarHBondContact O-CB 3.27Å; M168-C171 PolarHBondContact O-N 2.89Å; C169-C171 VanDerWaalsContact C-N 3.32Å; C169-C171 PolarHBondContact O-N 2.97Å; C171-I173 VanDerWaalsContact C-N 3.34Å; C171-Q174 PolarHBondContact O-N 2.85Å; C171-D175 PolarHBondContact O-N 3.27Å
172V92.8Very high91.6Very high8 Ų857.5 Ų57.55%0.04830%0.296CS..Hα-helixtrans-63.3-41.6175.6179.40000111.2I131 P134 M168 C169 N170 D175 F176 L203 P204I131-V172 HydrophobicContact CG2-CB 4.23Å; I131-V172 HydrophobicContact CG2-CG1 4.24Å; P134-V172 HydrophobicContact CG-CG2 4.49Å; M168-V172 PolarHBondContact O-N 2.92Å; C169-V172 PolarHBondContact O-N 3.28Å; N170-V172 VanDerWaalsContact C-N 3.31Å; N170-V172 PolarHBondContact O-N 3.16Å; V172-D175 PolarHBondContact O-N 2.83Å; V172-F176 PolarHBondContact O-N 3.15Å; V172-F176 VanDerWaalsContact O-N 3.08Å; V172-L203 HydrophobicContact CG1-CD2 3.8Å; V172-P204 HydrophobicContact CG1-CG 3.91Å; V172-P204 HydrophobicContact CG2-CG 4.03Å
173I92.7Very high91.6Very high1 Ų147.7 Ų47.71%0.00526%0.259CS..Hα-helixtrans-66.9-41.2177.5-65.9157.5000111.2C120 R121 I131 C169 N170 C171 D175 F176 Q177C120-I173 HydrophobicContact CB-CG2 3.68Å; R121-I173 HydrophobicContact CG-CD1 3.51Å; R121-I173 VanDerWaalsContact NE-CD1 3.29Å; R121-I173 VanDerWaalsContact NH2-CD1 3.35Å; I131-I173 HydrophobicContact CD1-CD1 3.76Å; I131-I173 HydrophobicContact CD1-CG1 3.86Å; I131-I173 HydrophobicContact CG2-CG1 4.41Å; C169-I173 PolarHBondContact O-N 3.03Å; N170-I173 PolarHBondContact O-N 3.22Å; C171-I173 VanDerWaalsContact C-N 3.34Å; I173-D175 VanDerWaalsContact C-N 3.29Å; I173-D175 PolarHBondContact O-N 3.43Å; I173-F176 WeakPolarHBondContact O-CB 3.34Å; I173-F176 PolarHBondContact O-N 3.43Å; I173-Q177 HydrophobicContact CG2-CG 4.34Å; I173-Q177 VanDerWaalsContact O-CG 3.25Å; I173-Q177 WeakPolarHBondContact O-CG 3.45Å; I173-Q177 PolarHBondContact O-N 3.32Å
174Q91.7Very high91.5Very high100 Ų10044.6 Ų44.647%0.46724%0.237SC..Hα-helixtrans-64.7-35.4177.9-74174.4-4.900112.2N170 C171 Q177 A178N170-Q174 WeakPolarHBondContact O-CG 3.31Å; N170-Q174 PolarHBondContact O-N 3.45Å; C171-Q174 PolarHBondContact O-N 2.85Å; Q174-Q177 WeakPolarHBondContact O-CB 3.4Å; Q174-Q177 PolarHBondContact O-N 3.46Å; Q174-A178 WeakPolarHBondContact O-CB 3.47Å; Q174-A178 PolarHBondContact O-N 3.47Å
175D92.3Very high91Very high86 Ų8644.2 Ų44.246%0.4624%0.242SC..Hα-helixtrans-63.2-49.7172.5-172.873.9000111C171 V172 I173 Q177 A178 S179 Y201C171-D175 PolarHBondContact O-N 3.27Å; V172-D175 PolarHBondContact O-N 2.83Å; I173-D175 VanDerWaalsContact C-N 3.29Å; I173-D175 PolarHBondContact O-N 3.43Å; D175-Q177 VanDerWaalsContact C-N 3.29Å; D175-Q177 PolarHBondContact O-N 2.99Å; D175-A178 PolarHBondContact O-N 3.18Å; D175-A178 VanDerWaalsContact O-N 3.15Å; D175-S179 PolarHBondContact O-N 3.29Å; D175-S179 PolarHBondContact O-OG 3.3Å; D175-Y201 PolarHBondContact OD2-OH 3.44Å
176F92.6Very high90.7Very high1 Ų143.3 Ų43.30%0.00424%0.242CC..Hα-helixtrans-54.5-44.7172.4172.4-99.1000112.3C120 L123 F124 V172 I173 A178 S179 V180 L181 Y201 F211C120-F176 HydrophobicContact CB-CD1 4.38Å; C120-F176 HydrophobicContact CB-CE1 4.48Å; L123-F176 HydrophobicContact CD2-CZ 4.31Å; F124-F176 HydrophobicContact CE1-CE2 4.4Å; F124-F176 HydrophobicContact CE2-CD1 4.21Å; F124-F176 HydrophobicContact CE2-CG 4.33Å; F124-F176 HydrophobicContact CZ-CB 4.34Å; F124-F176 AromaticContact CZ-CD1 3.9Å; F124-F176 HydrophobicContact CZ-CD1 3.9Å; F124-F176 AromaticContact CZ-CD2 3.82Å; F124-F176 HydrophobicContact CZ-CD2 3.82Å; F124-F176 HydrophobicContact CZ-CE1 4.11Å; F124-F176 HydrophobicContact CZ-CE2 4.03Å; F124-F176 AromaticContact CZ-CG 3.74Å; F124-F176 HydrophobicContact CZ-CG 3.74Å; F124-F176 HydrophobicContact CZ-CZ 4.17Å; V172-F176 PolarHBondContact O-N 3.15Å; V172-F176 VanDerWaalsContact O-N 3.08Å; I173-F176 WeakPolarHBondContact O-CB 3.34Å; I173-F176 PolarHBondContact O-N 3.43Å; F176-A178 VanDerWaalsContact C-N 3.34Å; F176-A178 PolarHBondContact O-N 3.04Å; F176-S179 PolarHBondContact O-N 3.49Å; F176-V180 HydrophobicContact CD2-CB 4Å; F176-V180 HydrophobicContact CD2-CG2 3.57Å; F176-V180 HydrophobicContact CE2-CB 3.74Å; F176-V180 HydrophobicContact CE2-CG1 3.76Å; F176-V180 HydrophobicContact CE2-CG2 3.6Å; F176-V180 HydrophobicContact CG-CG2 4.4Å; F176-V180 HydrophobicContact CZ-CB 4.07Å; F176-V180 HydrophobicContact CZ-CG1 3.91Å; F176-V180 HydrophobicContact CZ-CG2 4.43Å; F176-V180 WeakPolarHBondContact O-CB 3.39Å; F176-V180 PolarHBondContact O-N 3.2Å; F176-L181 HydrophobicContact CE1-CD2 4.21Å; F176-Y201 HydrophobicContact CB-CE1 3.98Å; F176-Y201 AromaticContact CD2-CD1 3.6Å; F176-Y201 HydrophobicContact CD2-CD1 3.6Å; F176-Y201 AromaticContact CD2-CE1 3.71Å; F176-Y201 HydrophobicContact CD2-CE1 3.71Å; F176-Y201 HydrophobicContact CD2-CG 4.11Å; F176-Y201 HydrophobicContact CE2-CD1 4.28Å; F176-Y201 HydrophobicContact CG-CE1 4.35Å; F176-Y201 PolarHBondContact N-OH 3.17Å; F176-F211 HydrophobicContact CE2-CD1 4.13Å; F176-F211 AromaticContact CE2-CD2 3.95Å; F176-F211 HydrophobicContact CE2-CD2 3.95Å; F176-F211 AromaticContact CE2-CE1 3.87Å; F176-F211 HydrophobicContact CE2-CE1 3.87Å; F176-F211 AromaticContact CE2-CE2 3.7Å; F176-F211 HydrophobicContact CE2-CE2 3.7Å; F176-F211 HydrophobicContact CE2-CG 4.16Å; F176-F211 AromaticContact CE2-CZ 3.65Å; F176-F211 HydrophobicContact CE2-CZ 3.65Å; F176-F211 HydrophobicContact CZ-CD1 4.08Å; F176-F211 AromaticContact CZ-CE1 3.97Å; F176-F211 HydrophobicContact CZ-CE1 3.97Å; F176-F211 HydrophobicContact CZ-CG 4.4Å; F176-F211 HydrophobicContact CZ-CZ 4.22Å
177Q92.1Very high90.3Very high17 Ų1743.7 Ų43.78%0.07925%0.248CC..Hα-helixtrans-59.3-45178.3-74.1170.4-6.300112.4M116 S117 I173 Q174 D175 L181M116-Q177 VanDerWaalsContact C-NE2 3.26Å; M116-Q177 HydrophobicContact CE-CB 4.48Å; M116-Q177 HydrophobicContact CE-CG 4.29Å; M116-Q177 PolarHBondContact O-NE2 3.06Å; S117-Q177 PolarHBondContact OG-NE2 3.45Å; I173-Q177 HydrophobicContact CG2-CG 4.34Å; I173-Q177 VanDerWaalsContact O-CG 3.25Å; I173-Q177 WeakPolarHBondContact O-CG 3.45Å; I173-Q177 PolarHBondContact O-N 3.32Å; Q174-Q177 WeakPolarHBondContact O-CB 3.4Å; Q174-Q177 PolarHBondContact O-N 3.46Å; D175-Q177 VanDerWaalsContact C-N 3.29Å; D175-Q177 PolarHBondContact O-N 2.99Å; Q177-L181 HydrophobicContact CB-CD1 3.95Å; Q177-L181 HydrophobicContact CG-CD1 3.7Å; Q177-L181 WeakPolarHBondContact O-CB 3.23Å; Q177-L181 PolarHBondContact O-N 2.88Å
178A89.3Confident89.8Confident85 Ų8538.9 Ų38.970%0.70223%0.23SC*.Hα-helixtrans-71.8-30.6-178.600000112.8Q174 D175 F176Q174-A178 WeakPolarHBondContact O-CB 3.47Å; Q174-A178 PolarHBondContact O-N 3.47Å; D175-A178 PolarHBondContact O-N 3.18Å; D175-A178 VanDerWaalsContact O-N 3.15Å; F176-A178 VanDerWaalsContact C-N 3.34Å; F176-A178 PolarHBondContact O-N 3.04Å
179S90.9Very high89.4Confident68 Ų6840.6 Ų40.648%0.47624%0.24SC..Hα-helixtrans-90.1-31.7-176.8-61.60000114.5D175 F176D175-S179 PolarHBondContact O-N 3.29Å; D175-S179 PolarHBondContact O-OG 3.3Å; F176-S179 PolarHBondContact O-N 3.49Å
180V92.2Very high89Confident4 Ų446.8 Ų46.82%0.02427%0.268CS..Hα-helixtrans-112.4-37.9-166.8-1770000113F176 Y201 F211 R215F176-V180 HydrophobicContact CD2-CB 4Å; F176-V180 HydrophobicContact CD2-CG2 3.57Å; F176-V180 HydrophobicContact CE2-CB 3.74Å; F176-V180 HydrophobicContact CE2-CG1 3.76Å; F176-V180 HydrophobicContact CE2-CG2 3.6Å; F176-V180 HydrophobicContact CG-CG2 4.4Å; F176-V180 HydrophobicContact CZ-CB 4.07Å; F176-V180 HydrophobicContact CZ-CG1 3.91Å; F176-V180 HydrophobicContact CZ-CG2 4.43Å; F176-V180 WeakPolarHBondContact O-CB 3.39Å; F176-V180 PolarHBondContact O-N 3.2Å; V180-Y201 VanDerWaalsContact CG2-CB 3.48Å; V180-Y201 HydrophobicContact CG2-CD1 4.32Å; V180-Y201 HydrophobicContact CG2-CD2 3.63Å; V180-Y201 HydrophobicContact CG2-CE2 4.45Å; V180-Y201 HydrophobicContact CG2-CG 3.55Å; V180-F211 HydrophobicContact CG1-CB 3.67Å; V180-F211 HydrophobicContact CG1-CD2 4.11Å; V180-F211 HydrophobicContact CG1-CG 3.93Å; V180-R215 HydrophobicContact CG1-CB 3.86Å; V180-R215 WeakPolarHBondContact O-CB 3.32Å
181L93.1Very high88.5Confident7 Ų751 Ų514%0.03729%0.286CS..  trans-73.8142.3-171.8-59.6-176.3000112.2M116 F176 Q177 R215 I218 P219 I271M116-L181 HydrophobicContact CE-CD1 3.36Å; F176-L181 HydrophobicContact CE1-CD2 4.21Å; Q177-L181 HydrophobicContact CB-CD1 3.95Å; Q177-L181 HydrophobicContact CG-CD1 3.7Å; Q177-L181 WeakPolarHBondContact O-CB 3.23Å; Q177-L181 PolarHBondContact O-N 2.88Å; L181-R215 HydrophobicContact CD2-CB 4.42Å; L181-R215 WeakPolarHBondContact CD2-O 3.28Å; L181-I218 HydrophobicContact CD1-CB 4.44Å; L181-I218 HydrophobicContact CD1-CG2 3.83Å; L181-I218 HydrophobicContact CD2-CB 4Å; L181-I218 HydrophobicContact CD2-CD1 3.95Å; L181-I218 HydrophobicContact CD2-CG2 4.26Å; L181-P219 HydrophobicContact CB-CG 4.38Å; L181-I271 HydrophobicContact CB-CG2 4.48Å
182Q92.2Very high88.1Confident31 Ų3152.5 Ų52.515%0.14529%0.293CS..BIsolated β-bridgetrans-142.9139.2179.3-179.3176.5-2.500109.1R215 L216 P219 Q272Q182-R215 PolarHBondContact N-O 2.76Å; Q182-L216 HydrophobicContact CB-CD2 4.13Å; Q182-L216 HydrophobicContact CG-CD2 4.14Å; Q182-L216 WeakPolarHBondContact O-CA 3.29Å; Q182-P219 WeakPolarHBondContact O-CG 3.27Å; Q182-Q272 HydrophobicContact CG-CB 4.25Å; Q182-Q272 HydrophobicContact CG-CG 4.29Å
183V90.9Very high87.6Confident1 Ų152.4 Ų52.41%0.00629%0.293CS..  trans-85.5131.9172.1174.40000108.7P219 F223 I271 Q272 F274 R277V183-P219 HydrophobicContact CG2-CB 3.85Å; V183-P219 HydrophobicContact CG2-CG 4.35Å; V183-F223 HydrophobicContact CB-CE2 4.43Å; V183-F223 HydrophobicContact CG1-CD2 4.13Å; V183-F223 HydrophobicContact CG1-CE2 3.57Å; V183-F223 HydrophobicContact CG1-CZ 4.12Å; V183-F223 HydrophobicContact CG2-CE2 3.9Å; V183-I271 HydrophobicContact CG2-CB 4.45Å; V183-I271 HydrophobicContact CG2-CG2 3.87Å; V183-Q272 PolarHBondContact N-O 3.37Å; V183-F274 HydrophobicContact CG2-CB 4.16Å; V183-F274 HydrophobicContact CG2-CD2 4.26Å; V183-R277 HydrophobicContact CG1-CB 3.5Å; V183-R277 HydrophobicContact CG1-CG 3.67Å
184S87.6Confident87.2Confident21 Ų2156 Ų5615%0.14732%0.323CS..  trans-71.5134.7169.8173.70000110.1S186 R277S184-S186 VanDerWaalsContact CB-O 3.25Å; S184-S186 WeakPolarHBondContact CB-O 3.48Å; S184-S186 PolarHBondContact O-N 3.24Å; S184-S186 PolarHBondContact OG-N 2.89Å; S184-S186 PolarHBondContact OG-O 3.26Å; S184-R277 WeakPolarHBondContact O-CD 3.48Å; S184-R277 PolarHBondContact O-NH1 2.68Å; S184-R277 VanDerWaalsContact O-NH1 3.11Å
185D81Confident86.8Confident85 Ų8559 Ų5946%0.45534%0.337SS..SBendtrans-57.6-36.8173.5-73.2-23.6000110.6R277 R280D185-R277 WeakPolarHBondContact O-CD 3.46Å; D185-R280 PolarHBondContact O-NE 2.91Å; D185-R280 PolarHBondContact O-NH1 3.42Å; D185-R280 PolarHBondContact O-NH2 3.33Å
186S83.6Confident86.4Confident39 Ų3958.4 Ų58.427%0.27333%0.332SS..SBendtrans-103.1158.2177.555.60000115.6S184 Y188 R277S184-S186 VanDerWaalsContact CB-O 3.25Å; S184-S186 WeakPolarHBondContact CB-O 3.48Å; S184-S186 PolarHBondContact O-N 3.24Å; S184-S186 PolarHBondContact OG-N 2.89Å; S184-S186 PolarHBondContact OG-O 3.26Å; S186-Y188 PolarHBondContact O-N 3.37Å; S186-R277 PolarHBondContact O-NH1 2.84Å; S186-R277 VanDerWaalsContact O-NH1 3.12Å
187P82.3Confident86.2Confident81 Ų8162.8 Ų62.853%0.52636%0.361SS..SBendtrans-43.5132.9166.5-27.935.4000109.2D189P187-D189 PolarHBondContact O-N 3Å
188Y81.6Confident86.1Confident40 Ų4065.6 Ų65.616%0.15738%0.379CS..  trans-56.6125.4-172.2175.2-88.2000110.5S186 E190 A193 L216 K217 E220S186-Y188 PolarHBondContact O-N 3.37Å; Y188-E190 HydrophobicContact CE1-CB 4.12Å; Y188-A193 HydrophobicContact CD2-CB 4.43Å; Y188-A193 HydrophobicContact CE2-CB 3.75Å; Y188-L216 HydrophobicContact CD2-CB 4.18Å; Y188-L216 HydrophobicContact CE2-CB 4.13Å; Y188-K217 HydrophobicContact CD2-CB 4.43Å; Y188-K217 HydrophobicContact CE2-CB 3.87Å; Y188-E220 HydrophobicContact CG-CG 4.46Å; Y188-E220 PolarHBondContact N-OE1 3.09Å
189D83.4Confident86.2Confident74 Ų7463.6 Ų63.640%0.39636%0.358SS..  trans-123.9122.1171.7-174.2-41.6000107.1P187 Q191 V192 A193P187-D189 PolarHBondContact O-N 3Å; D189-Q191 PolarHBondContact O-N 3.08Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.44Å; D189-Q191 PolarHBondContact OD1-N 3.11Å; D189-V192 HydrophobicContact CB-CB 4.16Å; D189-V192 HydrophobicContact CB-CG2 3.96Å; D189-V192 PolarHBondContact O-N 3.47Å; D189-A193 VanDerWaalsContact O-CB 3.31Å; D189-A193 WeakPolarHBondContact O-CB 3.47Å; D189-A193 PolarHBondContact O-N 3.44Å
190E82.4Confident86.2Confident136 Ų13665.4 Ų65.464%0.63636%0.359SS*.Hα-helixtrans-61.4-32.9-177.1-170.8166.3-151.800112.2Y188 A194Y188-E190 HydrophobicContact CE1-CB 4.12Å; E190-A194 VanDerWaalsContact O-CB 3.26Å; E190-A194 WeakPolarHBondContact O-CB 3.26Å; E190-A194 PolarHBondContact O-N 3.17Å
191Q82.5Confident86.2Confident147 Ų14766.1 Ų66.169%0.68736%0.362SS*.Hα-helixtrans-71.4-39.8179-58.5-175.4-1.100111.7D189 Q195D189-Q191 PolarHBondContact O-N 3.08Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.44Å; D189-Q191 PolarHBondContact OD1-N 3.11Å; Q191-Q195 WeakPolarHBondContact O-CG 3.32Å; Q191-Q195 PolarHBondContact O-N 3.33Å
192V83.5Confident86.1Confident71 Ų7169.9 Ų69.943%0.4338%0.379SS..Hα-helixtrans-71.1-42.2176.5179.90000110.1D189 A194 Q195 M196D189-V192 HydrophobicContact CB-CB 4.16Å; D189-V192 HydrophobicContact CB-CG2 3.96Å; D189-V192 PolarHBondContact O-N 3.47Å; V192-A194 VanDerWaalsContact C-N 3.31Å; V192-A194 PolarHBondContact O-N 2.94Å; V192-Q195 PolarHBondContact O-N 3.27Å; V192-Q195 VanDerWaalsContact O-N 3.15Å; V192-M196 PolarHBondContact O-N 3.04Å
193A82.7Confident85.9Confident6 Ų668.6 Ų68.65%0.0537%0.373CS..Hα-helixtrans-63-36.6177.400000112.3Y188 D189 Q195 M196 A213 L216Y188-A193 HydrophobicContact CD2-CB 4.43Å; Y188-A193 HydrophobicContact CE2-CB 3.75Å; D189-A193 VanDerWaalsContact O-CB 3.31Å; D189-A193 WeakPolarHBondContact O-CB 3.47Å; D189-A193 PolarHBondContact O-N 3.44Å; A193-Q195 PolarHBondContact O-N 2.86Å; A193-M196 WeakPolarHBondContact O-CB 3.46Å; A193-M196 PolarHBondContact O-N 3.47Å; A193-A213 HydrophobicContact CB-CB 3.75Å; A193-L216 HydrophobicContact CB-CD1 3.76Å
194A83.6Confident85.7Confident76 Ų7670.2 Ų70.263%0.62838%0.383SS*.Hα-helixtrans-68.5-20.2176.400000113.9E190 V192E190-A194 VanDerWaalsContact O-CB 3.26Å; E190-A194 WeakPolarHBondContact O-CB 3.26Å; E190-A194 PolarHBondContact O-N 3.17Å; V192-A194 VanDerWaalsContact C-N 3.31Å; V192-A194 PolarHBondContact O-N 2.94Å
195Q84.1Confident85.5Confident164 Ų16469.4 Ų69.477%0.76638%0.377SS*.Hα-helixtrans-89.1-10.4176.4-67.4174.922.100112.9Q191 V192 A193Q191-Q195 WeakPolarHBondContact O-CG 3.32Å; Q191-Q195 PolarHBondContact O-N 3.33Å; V192-Q195 PolarHBondContact O-N 3.27Å; V192-Q195 VanDerWaalsContact O-N 3.15Å; A193-Q195 PolarHBondContact O-N 2.86Å
196M83.9Confident85.6Confident72 Ų7265.3 Ų65.336%0.35536%0.356SS..SBendtrans-74.7147.2178.7-72-80.3-78.500110.8V192 A193 L216V192-M196 PolarHBondContact O-N 3.04Å; A193-M196 WeakPolarHBondContact O-CB 3.46Å; A193-M196 PolarHBondContact O-N 3.47Å; M196-L216 HydrophobicContact CB-CD1 4.38Å; M196-L216 HydrophobicContact CG-CD1 4.27Å
197P87.2Confident85.8Confident94 Ų9464.2 Ų64.261%0.6135%0.346SS*.PPolyproline II helixtrans-57.5143.9174.9-20.730.8000111.3R215P197-R215 PolarHBondContact O-NH2 2.76Å
198T90Very high86.1Confident75 Ų7561.3 Ų61.346%0.4633%0.326SS..PPolyproline II helixtrans-73.2157.6170.754.60000110.8D210 F211T198-D210 HydrophobicContact CG2-CB 4.24Å; T198-D210 PolarHBondContact OG1-OD2 3.01Å; T198-F211 CarbonylContact C-O 3.55Å; T198-F211 VanDerWaalsContact CA-O 3.27Å; T198-F211 WeakPolarHBondContact CA-O 3.44Å
199V91.2Very high86.4Confident43 Ų4360.3 Ų60.326%0.26132%0.324SS..EExtended strand (participates in β ladder)trans-117.2119.6172173.50000108.7F211 R215V199-F211 PolarHBondContact N-O 3.36Å; V199-F211 PolarHBondContact O-N 3.36Å; V199-R215 VanDerWaalsContact CG2-NH1 3.3Å
200H91.3Very high86.7Confident107 Ų10759.2 Ų59.250%0.49532%0.319SS..EExtended strand (participates in β ladder)trans-72.8132.3174.6-170.775000110.7D210H200-D210 WeakPolarHBondContact CA-OD1 3.48Å; H200-D210 WeakPolarHBondContact CB-OD1 3.47Å; H200-D210 IonicContact CG-OD1 3.17Å; H200-D210 IonicContact ND1-OD1 2.66Å; H200-D210 PolarHBondContact ND1-OD1 3.18Å
201Y92.3Very high87.1Confident19 Ų1952.8 Ų52.88%0.07529%0.289CS..EExtended strand (participates in β ladder)trans-141.4137.9172.9-178.4-95.2000111.6D175 F176 V180 L203 N208 C209 F211D175-Y201 PolarHBondContact OD2-OH 3.44Å; F176-Y201 HydrophobicContact CB-CE1 3.98Å; F176-Y201 AromaticContact CD2-CD1 3.6Å; F176-Y201 HydrophobicContact CD2-CD1 3.6Å; F176-Y201 AromaticContact CD2-CE1 3.71Å; F176-Y201 HydrophobicContact CD2-CE1 3.71Å; F176-Y201 HydrophobicContact CD2-CG 4.11Å; F176-Y201 HydrophobicContact CE2-CD1 4.28Å; F176-Y201 HydrophobicContact CG-CE1 4.35Å; F176-Y201 PolarHBondContact N-OH 3.17Å; V180-Y201 VanDerWaalsContact CG2-CB 3.48Å; V180-Y201 HydrophobicContact CG2-CD1 4.32Å; V180-Y201 HydrophobicContact CG2-CD2 3.63Å; V180-Y201 HydrophobicContact CG2-CE2 4.45Å; V180-Y201 HydrophobicContact CG2-CG 3.55Å; Y201-L203 HydrophobicContact CD1-CG 4.44Å; Y201-L203 HydrophobicContact CE1-CD2 3.77Å; Y201-L203 HydrophobicContact CE1-CG 4.04Å; Y201-N208 WeakPolarHBondContact O-CA 3.33Å; Y201-C209 PolarHBondContact N-O 3.39Å; Y201-C209 VanDerWaalsContact N-O 3.15Å; Y201-C209 PolarHBondContact O-N 3.09Å; Y201-F211 HydrophobicContact CD1-CE2 4.45Å
202E89.9Confident87.4Confident86 Ų8646.5 Ų46.540%0.40226%0.263SS..EExtended strand (participates in β ladder)trans-112.2121.4177.4-173.6-172.2-173.200110K140 Y207 N208K140-E202 IonicContact NZ-OE1 2.73Å; K140-E202 PolarHBondContact NZ-OE1 3.46Å; K140-E202 IonicContact NZ-OE2 2.75Å; K140-E202 PolarHBondContact NZ-OE2 2.82Å; E202-Y207 CarbonylContact C-O 3.56Å; E202-Y207 WeakPolarHBondContact CA-O 3.39Å; E202-N208 HydrophobicContact CB-CB 4.1Å; E202-N208 HydrophobicContact CG-CB 4.11Å
203L88.7Confident87.5Confident3 Ų344.1 Ų44.12%0.01625%0.25CS..  trans-72.1158.5173.2-76.7167.5000111.4F124 V129 V172 Y201 N205 G206 Y207F124-L203 HydrophobicContact CD1-CD1 4.47Å; F124-L203 HydrophobicContact CE1-CD1 4.08Å; F124-L203 HydrophobicContact CZ-CD2 4.26Å; V129-L203 HydrophobicContact CG1-CD1 3.46Å; V129-L203 VanDerWaalsContact CG1-CD1 3.46Å; V172-L203 HydrophobicContact CG1-CD2 3.8Å; Y201-L203 HydrophobicContact CD1-CG 4.44Å; Y201-L203 HydrophobicContact CE1-CD2 3.77Å; Y201-L203 HydrophobicContact CE1-CG 4.04Å; L203-N205 WeakPolarHBondContact CB-OD1 3.25Å; L203-N205 PolarHBondContact O-N 3.26Å; L203-G206 PolarHBondContact O-N 3.04Å; L203-Y207 HydrophobicContact CD1-CD1 3.77Å; L203-Y207 HydrophobicContact CD1-CG 4.33Å; L203-Y207 PolarHBondContact N-O 3.14Å
204P86.3Confident87.7Confident35 Ų3546.5 Ų46.523%0.22726%0.261CS..THydrogen-bonded Turntrans-55.3-29.5178.5-28.435.7000114.9P134 I137 V172 G206P134-P204 HydrophobicContact CG-CB 4.03Å; P134-P204 HydrophobicContact CG-CG 4.1Å; I137-P204 HydrophobicContact CD1-CB 3.8Å; I137-P204 VanDerWaalsContact CD1-O 3.27Å; I137-P204 WeakPolarHBondContact CD1-O 3.43Å; V172-P204 HydrophobicContact CG1-CG 3.91Å; V172-P204 HydrophobicContact CG2-CG 4.03Å; P204-G206 PolarHBondContact O-N 2.69Å
205N84.4Confident88Confident4 Ų443.5 Ų43.52%0.02123%0.233CC..THydrogen-bonded Turntrans-76.3-2.8177.665.9-3.8000114.1E130 I132 I137 A149 W151 L203 Y207E130-N205 PolarHBondContact O-ND2 2.62Å; E130-N205 VanDerWaalsContact O-ND2 3.11Å; I132-N205 HydrophobicContact CB-CB 4.26Å; I132-N205 HydrophobicContact CD1-CB 3.95Å; I137-N205 HydrophobicContact CD1-CB 4.19Å; A149-N205 HydrophobicContact CB-CB 4.13Å; W151-N205 HydrophobicContact CG-CB 4.22Å; L203-N205 WeakPolarHBondContact CB-OD1 3.25Å; L203-N205 PolarHBondContact O-N 3.26Å; N205-Y207 WeakPolarHBondContact OD1-CB 3.32Å; N205-Y207 PolarHBondContact OD1-N 2.72Å
206G83.3Confident88.3Confident0 Ų035.9 Ų35.90%020%0.198CC..SBendtrans89.3-4.4-178.200000114.6V143 L203 P204 N208V143-G206 WeakPolarHBondContact CG2-O 3.07Å; L203-G206 PolarHBondContact O-N 3.04Å; P204-G206 PolarHBondContact O-N 2.69Å; G206-N208 PolarHBondContact O-N 3.07Å; G206-N208 PolarHBondContact O-ND2 3.13Å
207Y86.3Confident88.5Confident15 Ų1536 Ų366%0.05920%0.196CC..  trans-62.2128.6169179.1-93.9000109.3V129 S147 E202 L203 N205 C209V129-Y207 HydrophobicContact CG1-CD1 3.95Å; V129-Y207 HydrophobicContact CG1-CD2 4.43Å; V129-Y207 HydrophobicContact CG1-CE1 4.34Å; V129-Y207 HydrophobicContact CG1-CG 3.98Å; V129-Y207 HydrophobicContact CG2-CD1 4Å; V129-Y207 HydrophobicContact CG2-CD2 3.97Å; V129-Y207 HydrophobicContact CG2-CE1 3.6Å; V129-Y207 HydrophobicContact CG2-CE2 3.57Å; V129-Y207 HydrophobicContact CG2-CG 4.16Å; S147-Y207 WeakPolarHBondContact O-CD2 3.49Å; E202-Y207 CarbonylContact C-O 3.56Å; E202-Y207 WeakPolarHBondContact CA-O 3.39Å; L203-Y207 HydrophobicContact CD1-CD1 3.77Å; L203-Y207 HydrophobicContact CD1-CG 4.33Å; L203-Y207 PolarHBondContact N-O 3.14Å; N205-Y207 WeakPolarHBondContact OD1-CB 3.32Å; N205-Y207 PolarHBondContact OD1-N 2.72Å; Y207-C209 HydrophobicContact CE1-CB 3.64Å
208N88.6Confident88.6Confident20 Ų2032.2 Ų32.211%0.10717%0.171CC..EExtended strand (participates in β ladder)trans-131.7142.3175.961.981.9000110.3V143 E145 G146 Y201 E202 G206V143-N208 PolarHBondContact O-ND2 2.95Å; E145-N208 VanDerWaalsContact CA-OD1 3.26Å; E145-N208 WeakPolarHBondContact CA-OD1 3.24Å; G146-N208 PolarHBondContact N-O 2.97Å; Y201-N208 WeakPolarHBondContact O-CA 3.33Å; E202-N208 HydrophobicContact CB-CB 4.1Å; E202-N208 HydrophobicContact CG-CB 4.11Å; G206-N208 PolarHBondContact O-N 3.07Å; G206-N208 PolarHBondContact O-ND2 3.13Å
209C87.9Confident88.6Confident19 Ų1928.6 Ų28.613%0.12815%0.149CC..EExtended strand (participates in β ladder)trans-153.9147.5-179.3-167.50000109.5Y201 Y207 F211Y201-C209 PolarHBondContact N-O 3.39Å; Y201-C209 VanDerWaalsContact N-O 3.15Å; Y201-C209 PolarHBondContact O-N 3.09Å; Y207-C209 HydrophobicContact CE1-CB 3.64Å; C209-F211 HydrophobicContact CB-CE2 4.01Å; C209-F211 HydrophobicContact CB-CZ 4.12Å; C209-F211 WeakPolarHBondContact O-CD2 3.37Å; C209-F211 WeakPolarHBondContact O-CE2 3.32Å
210D90.4Very high88.5Confident52 Ų5226.6 Ų26.628%0.27814%0.136SC..EExtended strand (participates in β ladder)trans-81.2122.9165.3-77.10.7000110.1E145 T198 H200E145-D210 WeakPolarHBondContact OE1-CB 3.45Å; E145-D210 PolarHBondContact OE1-N 3.12Å; T198-D210 HydrophobicContact CG2-CB 4.24Å; T198-D210 PolarHBondContact OG1-OD2 3.01Å; H200-D210 WeakPolarHBondContact CA-OD1 3.48Å; H200-D210 WeakPolarHBondContact CB-OD1 3.47Å; H200-D210 IonicContact CG-OD1 3.17Å; H200-D210 IonicContact ND1-OD1 2.66Å; H200-D210 PolarHBondContact ND1-OD1 3.18Å
211F90.1Very high88.4Confident1 Ų121.6 Ų21.60%0.00411%0.113CC..EExtended strand (participates in β ladder)trans-97.6125.1178.4-66.8-86.9000110.8L123 F124 L127 F176 V180 T198 V199 Y201 C209 E214 R215L123-F211 HydrophobicContact CD2-CD1 4.42Å; L123-F211 HydrophobicContact CD2-CE1 4.27Å; F124-F211 HydrophobicContact CE1-CZ 4.27Å; L127-F211 HydrophobicContact CD1-CE1 3.96Å; F176-F211 HydrophobicContact CE2-CD1 4.13Å; F176-F211 AromaticContact CE2-CD2 3.95Å; F176-F211 HydrophobicContact CE2-CD2 3.95Å; F176-F211 AromaticContact CE2-CE1 3.87Å; F176-F211 HydrophobicContact CE2-CE1 3.87Å; F176-F211 AromaticContact CE2-CE2 3.7Å; F176-F211 HydrophobicContact CE2-CE2 3.7Å; F176-F211 HydrophobicContact CE2-CG 4.16Å; F176-F211 AromaticContact CE2-CZ 3.65Å; F176-F211 HydrophobicContact CE2-CZ 3.65Å; F176-F211 HydrophobicContact CZ-CD1 4.08Å; F176-F211 AromaticContact CZ-CE1 3.97Å; F176-F211 HydrophobicContact CZ-CE1 3.97Å; F176-F211 HydrophobicContact CZ-CG 4.4Å; F176-F211 HydrophobicContact CZ-CZ 4.22Å; V180-F211 HydrophobicContact CG1-CB 3.67Å; V180-F211 HydrophobicContact CG1-CD2 4.11Å; V180-F211 HydrophobicContact CG1-CG 3.93Å; T198-F211 CarbonylContact C-O 3.55Å; T198-F211 VanDerWaalsContact CA-O 3.27Å; T198-F211 WeakPolarHBondContact CA-O 3.44Å; V199-F211 PolarHBondContact N-O 3.36Å; V199-F211 PolarHBondContact O-N 3.36Å; Y201-F211 HydrophobicContact CD1-CE2 4.45Å; C209-F211 HydrophobicContact CB-CE2 4.01Å; C209-F211 HydrophobicContact CB-CZ 4.12Å; C209-F211 WeakPolarHBondContact O-CD2 3.37Å; C209-F211 WeakPolarHBondContact O-CE2 3.32Å; F211-E214 WeakPolarHBondContact CA-OE1 3.37Å; F211-E214 HydrophobicContact CD1-CG 4.02Å; F211-E214 WeakPolarHBondContact CD1-OE1 3.43Å; F211-R215 WeakPolarHBondContact O-CD 3.38Å
212G89.1Confident88.3Confident14 Ų1420.7 Ų20.714%0.14411%0.11CC..  trans-103.7-118.6-176.200000112.9E214 R215G212-E214 VanDerWaalsContact C-N 3.28Å; G212-E214 VanDerWaalsContact C-OE2 3.26Å; G212-E214 WeakPolarHBondContact CA-OE2 3.25Å; G212-E214 PolarHBondContact N-OE1 3.07Å; G212-E214 PolarHBondContact N-OE2 3.08Å; G212-E214 PolarHBondContact O-N 3.41Å; G212-R215 WeakPolarHBondContact O-CD 3.46Å; G212-R215 WeakPolarHBondContact O-CG 3.39Å; G212-R215 PolarHBondContact O-N 3.02Å
213A87.1Confident88.3Confident21 Ų2116.8 Ų16.817%0.1749%0.091CC..THydrogen-bonded Turntrans-64.4-28.9-174.800000113.6A193 R215 L216 K217A193-A213 HydrophobicContact CB-CB 3.75Å; A213-R215 PolarHBondContact O-N 3.45Å; A213-L216 WeakPolarHBondContact O-CB 3.45Å; A213-L216 PolarHBondContact O-N 2.95Å; A213-K217 PolarHBondContact O-N 2.85Å; A213-K217 VanDerWaalsContact O-N 3.11Å
214E86.3Confident88.2Confident56 Ų5619.3 Ų19.326%0.26211%0.105SC..Hα-helixtrans-59.6-29.717964.3-82.3-166.500113.1L123 F211 G212 L216 K217 I218L123-E214 HydrophobicContact CD1-CB 4.21Å; L123-E214 HydrophobicContact CD1-CG 4.25Å; L123-E214 HydrophobicContact CD2-CB 4.34Å; L123-E214 HydrophobicContact CD2-CG 4.01Å; F211-E214 WeakPolarHBondContact CA-OE1 3.37Å; F211-E214 HydrophobicContact CD1-CG 4.02Å; F211-E214 WeakPolarHBondContact CD1-OE1 3.43Å; G212-E214 VanDerWaalsContact C-N 3.28Å; G212-E214 VanDerWaalsContact C-OE2 3.26Å; G212-E214 WeakPolarHBondContact CA-OE2 3.25Å; G212-E214 PolarHBondContact N-OE1 3.07Å; G212-E214 PolarHBondContact N-OE2 3.08Å; G212-E214 PolarHBondContact O-N 3.41Å; E214-L216 PolarHBondContact O-N 3.25Å; E214-K217 PolarHBondContact O-N 3Å; E214-I218 PolarHBondContact O-N 2.91Å
215R88.8Confident88Confident13 Ų1318.9 Ų18.95%0.04910%0.102CC..Hα-helixtrans-69.5-22.9177.784.5-160.2172.391.3-1.6113.5V180 L181 Q182 P197 V199 F211 G212 A213 P219V180-R215 HydrophobicContact CG1-CB 3.86Å; V180-R215 WeakPolarHBondContact O-CB 3.32Å; L181-R215 HydrophobicContact CD2-CB 4.42Å; L181-R215 WeakPolarHBondContact CD2-O 3.28Å; Q182-R215 PolarHBondContact N-O 2.76Å; P197-R215 PolarHBondContact O-NH2 2.76Å; V199-R215 VanDerWaalsContact CG2-NH1 3.3Å; F211-R215 WeakPolarHBondContact O-CD 3.38Å; G212-R215 WeakPolarHBondContact O-CD 3.46Å; G212-R215 WeakPolarHBondContact O-CG 3.39Å; G212-R215 PolarHBondContact O-N 3.02Å; A213-R215 PolarHBondContact O-N 3.45Å; R215-P219 VanDerWaalsContact O-CD 3.22Å; R215-P219 WeakPolarHBondContact O-CD 3.21Å; R215-P219 WeakPolarHBondContact O-CG 3.39Å
216L90.5Very high87.8Confident4 Ų423 Ų232%0.02113%0.132CC..Hα-helixtrans-90.4-34.9175.9-63.9155000111Q182 Y188 A193 M196 A213 E214 P219 E220Q182-L216 HydrophobicContact CB-CD2 4.13Å; Q182-L216 HydrophobicContact CG-CD2 4.14Å; Q182-L216 WeakPolarHBondContact O-CA 3.29Å; Y188-L216 HydrophobicContact CD2-CB 4.18Å; Y188-L216 HydrophobicContact CE2-CB 4.13Å; A193-L216 HydrophobicContact CB-CD1 3.76Å; M196-L216 HydrophobicContact CB-CD1 4.38Å; M196-L216 HydrophobicContact CG-CD1 4.27Å; A213-L216 WeakPolarHBondContact O-CB 3.45Å; A213-L216 PolarHBondContact O-N 2.95Å; E214-L216 PolarHBondContact O-N 3.25Å; L216-P219 WeakPolarHBondContact O-CD 3.18Å; L216-P219 WeakPolarHBondContact O-CG 3.31Å; L216-E220 WeakPolarHBondContact O-CB 3.24Å; L216-E220 PolarHBondContact O-N 2.58Å
217K87.9Confident87.2Confident75 Ų7525.3 Ų25.333%0.32614%0.144SC..Hα-helixtrans-66.4-40.8-177.6-170.6172.2-176.8168.70113.4Y188 A213 E214 E220Y188-K217 HydrophobicContact CD2-CB 4.43Å; Y188-K217 HydrophobicContact CE2-CB 3.87Å; A213-K217 PolarHBondContact O-N 2.85Å; A213-K217 VanDerWaalsContact O-N 3.11Å; E214-K217 PolarHBondContact O-N 3Å; K217-E220 WeakPolarHBondContact O-CB 3.32Å; K217-E220 PolarHBondContact O-N 2.85Å
218I89.4Confident86.5Confident14 Ų1425.3 Ų25.37%0.07215%0.147CC..Hα-helixtrans-59.2-56-179.9-68.4167.8000112.1Q119 L123 L181 E214 E220 G221Q119-I218 HydrophobicContact CB-CG1 4.29Å; Q119-I218 HydrophobicContact CB-CG2 3.97Å; L123-I218 HydrophobicContact CB-CD1 4.49Å; L123-I218 HydrophobicContact CD2-CD1 3.83Å; L181-I218 HydrophobicContact CD1-CB 4.44Å; L181-I218 HydrophobicContact CD1-CG2 3.83Å; L181-I218 HydrophobicContact CD2-CB 4Å; L181-I218 HydrophobicContact CD2-CD1 3.95Å; L181-I218 HydrophobicContact CD2-CG2 4.26Å; E214-I218 PolarHBondContact O-N 2.91Å; I218-E220 VanDerWaalsContact C-N 3.28Å; I218-E220 PolarHBondContact O-N 3.05Å; I218-G221 PolarHBondContact O-N 3.24Å
219P90.9Very high85.5Confident0 Ų028.1 Ų28.10%016%0.158CC..Hα-helixtrans-72.8-18.9-179.930.1-36.9000113L181 Q182 V183 R215 L216 G221 L222L181-P219 HydrophobicContact CB-CG 4.38Å; Q182-P219 WeakPolarHBondContact O-CG 3.27Å; V183-P219 HydrophobicContact CG2-CB 3.85Å; V183-P219 HydrophobicContact CG2-CG 4.35Å; R215-P219 VanDerWaalsContact O-CD 3.22Å; R215-P219 WeakPolarHBondContact O-CD 3.21Å; R215-P219 WeakPolarHBondContact O-CG 3.39Å; L216-P219 WeakPolarHBondContact O-CD 3.18Å; L216-P219 WeakPolarHBondContact O-CG 3.31Å; P219-G221 PolarHBondContact O-N 3.05Å; P219-L222 WeakPolarHBondContact O-CB 3.48Å; P219-L222 PolarHBondContact O-N 3.08Å; P219-L222 VanDerWaalsContact O-N 3.08Å
220E89.9Confident84.2Confident1 Ų130.6 Ų30.61%0.00519%0.186CC..Hα-helixtrans-58.2-34.3170.9-174.367.8-169.900111.7Y188 L216 K217 I218 L222 F223 D224 N227 R277Y188-E220 HydrophobicContact CG-CG 4.46Å; Y188-E220 PolarHBondContact N-OE1 3.09Å; L216-E220 WeakPolarHBondContact O-CB 3.24Å; L216-E220 PolarHBondContact O-N 2.58Å; K217-E220 WeakPolarHBondContact O-CB 3.32Å; K217-E220 PolarHBondContact O-N 2.85Å; I218-E220 VanDerWaalsContact C-N 3.28Å; I218-E220 PolarHBondContact O-N 3.05Å; E220-L222 PolarHBondContact O-N 3.01Å; E220-F223 PolarHBondContact O-N 2.89Å; E220-D224 HydrophobicContact CG-CB 4.43Å; E220-D224 PolarHBondContact O-N 2.78Å; E220-N227 HydrophobicContact CG-CB 4.33Å; E220-R277 IonicContact OE1-CZ 2.68Å; E220-R277 IonicContact OE1-NH1 3.48Å; E220-R277 PolarHBondContact OE1-NH1 3.35Å; E220-R277 IonicContact OE1-NH2 2.85Å; E220-R277 PolarHBondContact OE1-NH2 2.84Å; E220-R277 IonicContact OE2-CZ 2.76Å; E220-R277 IonicContact OE2-NH1 3.06Å; E220-R277 PolarHBondContact OE2-NH1 3.34Å; E220-R277 IonicContact OE2-NH2 3.25Å
221G87.9Confident82.8Confident1 Ų130.9 Ų30.91%0.0119%0.188CC..Hα-helixtrans-56.5-20.717600000114.2I218 P219I218-G221 PolarHBondContact O-N 3.24Å; P219-G221 PolarHBondContact O-N 3.05Å
222L89.9Confident80.7Confident0 Ų037 Ų370%023%0.23CC..Hα-helixtrans-72.8-33.3172.3-62178.9000112.5L111 F115 M116 P219 E220 G238 V239 I271 F274L111-L222 HydrophobicContact CB-CD2 4.16Å; F115-L222 HydrophobicContact CD1-CD2 4.03Å; M116-L222 HydrophobicContact CG-CD1 4.33Å; M116-L222 HydrophobicContact CG-CD2 4.24Å; M116-L222 HydrophobicContact CG-CG 4.37Å; M116-L222 HydrophobicContact SD-CD1 3.79Å; M116-L222 HydrophobicContact SD-CG 4.46Å; P219-L222 WeakPolarHBondContact O-CB 3.48Å; P219-L222 PolarHBondContact O-N 3.08Å; P219-L222 VanDerWaalsContact O-N 3.08Å; E220-L222 PolarHBondContact O-N 3.01Å; L222-G238 CarbonylContact O-C 3.59Å; L222-G238 WeakPolarHBondContact O-CA 3.04Å; L222-V239 HydrophobicContact CB-CG2 4.06Å; L222-V239 WeakPolarHBondContact O-CG2 3.43Å; L222-V239 PolarHBondContact O-N 3.2Å; L222-I271 HydrophobicContact CD1-CD1 4.42Å; L222-F274 HydrophobicContact CD1-CE2 4.17Å
223F90.3Very high78.8Confident4 Ų438.4 Ų38.42%0.01825%0.246CC..Hα-helixtrans-93.8-42.9-177.6-68.7-88.5000111.8V183 E220 G238 V239 F274 R277 L278 E281V183-F223 HydrophobicContact CB-CE2 4.43Å; V183-F223 HydrophobicContact CG1-CD2 4.13Å; V183-F223 HydrophobicContact CG1-CE2 3.57Å; V183-F223 HydrophobicContact CG1-CZ 4.12Å; V183-F223 HydrophobicContact CG2-CE2 3.9Å; E220-F223 PolarHBondContact O-N 2.89Å; F223-G238 WeakPolarHBondContact O-CA 3.48Å; F223-V239 HydrophobicContact CD1-CB 4.36Å; F223-V239 HydrophobicContact CE1-CB 4.27Å; F223-F274 AromaticContact CE2-CD2 3.86Å; F223-F274 HydrophobicContact CE2-CD2 3.86Å; F223-F274 HydrophobicContact CE2-CE2 4Å; F223-F274 AromaticContact CZ-CD2 3.78Å; F223-F274 HydrophobicContact CZ-CD2 3.78Å; F223-F274 AromaticContact CZ-CE2 3.84Å; F223-F274 HydrophobicContact CZ-CE2 3.84Å; F223-F274 HydrophobicContact CZ-CG 4.18Å; F223-F274 HydrophobicContact CZ-CZ 4.28Å; F223-R277 HydrophobicContact CD1-CG 3.73Å; F223-R277 HydrophobicContact CD2-CG 4.22Å; F223-R277 HydrophobicContact CE1-CB 4.31Å; F223-R277 HydrophobicContact CE1-CG 3.53Å; F223-R277 HydrophobicContact CE2-CG 4.05Å; F223-R277 HydrophobicContact CG-CG 4.07Å; F223-R277 HydrophobicContact CZ-CB 4.17Å; F223-R277 HydrophobicContact CZ-CG 3.7Å; F223-L278 HydrophobicContact CE1-CB 4.07Å; F223-L278 HydrophobicContact CE1-CD1 4.39Å; F223-L278 HydrophobicContact CZ-CB 4.49Å; F223-E281 WeakPolarHBondContact CD1-OE2 3.47Å
224D86.8Confident77.2Confident57 Ų5745.8 Ų45.831%0.30528%0.282SS..  trans-123.897.5177-170.8-7.8000110.4E220 S226 N227E220-D224 HydrophobicContact CG-CB 4.43Å; E220-D224 PolarHBondContact O-N 2.78Å; D224-S226 PolarHBondContact O-N 2.92Å; D224-S226 VanDerWaalsContact O-N 3.08Å; D224-S226 WeakPolarHBondContact OD1-CB 3.28Å; D224-S226 PolarHBondContact OD1-N 3.19Å; D224-S226 VanDerWaalsContact OD1-N 3.07Å; D224-S226 PolarHBondContact OD1-OG 3.34Å; D224-S226 PolarHBondContact OD2-OG 3.08Å; D224-N227 PolarHBondContact O-N 3.07Å; D224-N227 VanDerWaalsContact O-N 3.17Å; D224-N227 PolarHBondContact OD2-ND2 3.37Å
225P83.1Confident76.2Confident26 Ų2649.2 Ų49.217%0.16931%0.307CS..G310 helixtrans-61.5-17.6-179-2132.7000113.8L111 N227 A228 M236L111-P225 HydrophobicContact CD1-CB 3.9Å; L111-P225 HydrophobicContact CD1-CG 3.53Å; P225-N227 PolarHBondContact O-N 2.75Å; P225-A228 WeakPolarHBondContact O-CB 3.44Å; P225-A228 PolarHBondContact O-N 2.88Å; P225-M236 HydrophobicContact CB-CB 4.16Å; P225-M236 HydrophobicContact CG-CB 4.32Å; P225-M236 WeakPolarHBondContact CG-O 3.49Å
226S78.9Confident75.7Confident91 Ų9151.4 Ų51.464%0.63632%0.318SS*.G310 helixtrans-68.4-22.4178.570.70000113.2D224 A228D224-S226 PolarHBondContact O-N 2.92Å; D224-S226 VanDerWaalsContact O-N 3.08Å; D224-S226 WeakPolarHBondContact OD1-CB 3.28Å; D224-S226 PolarHBondContact OD1-N 3.19Å; D224-S226 VanDerWaalsContact OD1-N 3.07Å; D224-S226 PolarHBondContact OD1-OG 3.34Å; D224-S226 PolarHBondContact OD2-OG 3.08Å; S226-A228 VanDerWaalsContact C-N 3.33Å
227N71.4Confident75.5Confident48 Ų4854.1 Ų54.126%0.25733%0.333SS..G310 helixtrans-85-6.4179.4-70.8-47000113.8E220 D224 P225E220-N227 HydrophobicContact CG-CB 4.33Å; D224-N227 PolarHBondContact O-N 3.07Å; D224-N227 VanDerWaalsContact O-N 3.17Å; D224-N227 PolarHBondContact OD2-ND2 3.37Å; P225-N227 PolarHBondContact O-N 2.75Å
228A70.9Confident75.6Confident14 Ų1450.6 Ų50.612%0.11632%0.317CS..SBendtrans-82.3135.4-177.400000112.4F115 P225 S226 L231F115-A228 HydrophobicContact CE2-CB 3.74Å; F115-A228 HydrophobicContact CZ-CB 3.41Å; F115-A228 VanDerWaalsContact CZ-CB 3.41Å; P225-A228 WeakPolarHBondContact O-CB 3.44Å; P225-A228 PolarHBondContact O-N 2.88Å; S226-A228 VanDerWaalsContact C-N 3.33Å; A228-L231 HydrophobicContact CB-CB 4.38Å; A228-L231 HydrophobicContact CB-CD1 3.59Å; A228-L231 HydrophobicContact CB-CG 4.18Å
229K67.3Low75.8Confident80 Ų8050 Ų5035%0.34832%0.315SS..THydrogen-bonded Turntrans-75.4142.7174.2-65.8-178.8-178.8-179.20110.1Q119 E122 E126 L231Q119-K229 PolarHBondContact NE2-O 2.97Å; E122-K229 VanDerWaalsContact OE2-CB 3.28Å; E122-K229 WeakPolarHBondContact OE2-CB 3.43Å; E126-K229 IonicContact OE1-NZ 3.94Å; E126-K229 PolarHBondContact OE1-NZ 3.25Å; E126-K229 IonicContact OE2-NZ 2.73Å; E126-K229 PolarHBondContact OE2-NZ 2.65Å; K229-L231 VanDerWaalsContact C-N 3.28Å; K229-L231 PolarHBondContact O-N 3.21Å
230G60.7Low75.8Confident70 Ų7050 Ų5072%0.72232%0.315SS*.THydrogen-bonded Turntrans78.9-6.617500000116.4S232G230-S232 PolarHBondContact O-N 3.32Å
231L62.6Low75.9Confident58 Ų5853.9 Ų53.930%0.30433%0.333SS..  trans-8494.6174.7-74.5178.2000111.1L111 F115 A228 K229 G233 M236L111-L231 HydrophobicContact CD2-CD1 3.66Å; F115-L231 HydrophobicContact CD2-CD1 4.25Å; F115-L231 HydrophobicContact CE2-CD1 3.67Å; F115-L231 HydrophobicContact CE2-CG 4.24Å; F115-L231 HydrophobicContact CZ-CD1 4.31Å; A228-L231 HydrophobicContact CB-CB 4.38Å; A228-L231 HydrophobicContact CB-CD1 3.59Å; A228-L231 HydrophobicContact CB-CG 4.18Å; K229-L231 VanDerWaalsContact C-N 3.28Å; K229-L231 PolarHBondContact O-N 3.21Å; L231-G233 PolarHBondContact O-N 3.45Å; L231-M236 HydrophobicContact CD1-SD 3.96Å; L231-M236 HydrophobicContact CD2-CE 3.82Å; L231-M236 HydrophobicContact CD2-SD 3.66Å
232S44.8Very low76.1Confident129 Ų12953.9 Ų53.990%0.90233%0.332SS*.  trans-89.383.3172.8-530000109.9G230G230-S232 PolarHBondContact O-N 3.32Å
233G50Low76.3Confident45 Ų4553.9 Ų53.946%0.46433%0.332SS..  trans157.3127.2171.800000114.7L231 T235L231-G233 PolarHBondContact O-N 3.45Å; G233-T235 PolarHBondContact O-N 2.96Å
234N53.4Low76.4Confident175 Ų17554.9 Ų54.994%0.93634%0.339SS*.THydrogen-bonded Turntrans-67.118.3178.2-80.3-11.2000115.1
235T64.1Low76.7Confident128 Ų12854.7 Ų54.779%0.78534%0.34SS*.THydrogen-bonded Turntrans-101.6-5.6-169.457.40000114.5G233G233-T235 PolarHBondContact O-N 2.96Å
236M80.2Confident77.2Confident59 Ų5953.4 Ų53.429%0.29133%0.332SS..PPolyproline II helixtrans-86.3138.2179-61.5-149.8166.500111.2P110 L111 P225 L231P110-M236 HydrophobicContact CB-CE 4.4Å; P110-M236 HydrophobicContact CG-CE 3.31Å; P110-M236 HydrophobicContact CG-SD 3.62Å; L111-M236 HydrophobicContact CD1-CB 3.92Å; L111-M236 HydrophobicContact CD2-SD 3.59Å; L111-M236 VanDerWaalsContact CD2-SD 3.59Å; L111-M236 HydrophobicContact CG-CB 4.27Å; L111-M236 HydrophobicContact CG-SD 3.92Å; P225-M236 HydrophobicContact CB-CB 4.16Å; P225-M236 HydrophobicContact CG-CB 4.32Å; P225-M236 WeakPolarHBondContact CG-O 3.49Å; L231-M236 HydrophobicContact CD1-SD 3.96Å; L231-M236 HydrophobicContact CD2-CE 3.82Å; L231-M236 HydrophobicContact CD2-SD 3.66Å
237L85.3Confident77.8Confident61 Ų6149.1 Ų49.132%0.31930%0.302SS..PPolyproline II helixtrans-99.2125.6178.5-62.2176.6000109.3V107 S109 H241 V242V107-L237 HydrophobicContact CG1-CD1 3.91Å; S109-L237 VanDerWaalsContact CB-O 3.23Å; S109-L237 WeakPolarHBondContact CB-O 3.46Å; S109-L237 PolarHBondContact OG-O 3.13Å; L237-H241 HydrophobicContact CB-CB 4.23Å; L237-H241 HydrophobicContact CD2-CB 4.22Å; L237-V242 HydrophobicContact CB-CG2 3.69Å
238G90.4Very high78.7Confident1 Ų148.6 Ų48.61%0.0131%0.308CS..PPolyproline II helixtrans-67.3162.7169.100000112L222 F223 G240 H241 V242L222-G238 CarbonylContact O-C 3.59Å; L222-G238 WeakPolarHBondContact O-CA 3.04Å; F223-G238 WeakPolarHBondContact O-CA 3.48Å; G238-G240 VanDerWaalsContact C-N 3.31Å; G238-G240 PolarHBondContact O-N 3.18Å; G238-H241 WeakPolarHBondContact O-CA 3.48Å; G238-H241 WeakPolarHBondContact O-CB 3.23Å; G238-H241 PolarHBondContact O-N 3.41Å; G238-V242 WeakPolarHBondContact O-CG2 3.37Å; G238-V242 PolarHBondContact O-N 3.13Å
239V92.3Very high79.7Confident2 Ų252.8 Ų52.81%0.01233%0.326CS..Hα-helixtrans-51.9-45.8-173.5-177.10000112.9L83 T90 L222 F223 H241 V242 V243 F274 L278L83-V239 HydrophobicContact CD1-CG1 4.04Å; L83-V239 HydrophobicContact CD2-CG1 3.51Å; L83-V239 HydrophobicContact CG-CG1 4.32Å; T90-V239 HydrophobicContact CG2-CG1 4.35Å; T90-V239 HydrophobicContact CG2-CG2 4.23Å; L222-V239 HydrophobicContact CB-CG2 4.06Å; L222-V239 WeakPolarHBondContact O-CG2 3.43Å; L222-V239 PolarHBondContact O-N 3.2Å; F223-V239 HydrophobicContact CD1-CB 4.36Å; F223-V239 HydrophobicContact CE1-CB 4.27Å; V239-H241 VanDerWaalsContact C-N 3.34Å; V239-H241 PolarHBondContact O-N 3.32Å; V239-V242 PolarHBondContact O-N 3.37Å; V239-V243 PolarHBondContact O-N 2.78Å; V239-F274 HydrophobicContact CG1-CZ 3.91Å; V239-F274 HydrophobicContact CG2-CE2 4.24Å; V239-F274 HydrophobicContact CG2-CZ 4.08Å; V239-L278 HydrophobicContact CG1-CD1 3.81Å; V239-L278 HydrophobicContact CG1-CD2 4.39Å
240G91.8Very high80.9Confident0 Ų049.1 Ų49.10%031%0.31CS..Hα-helixtrans-66-35.7179.400000113.1G238 T244 E281G238-G240 VanDerWaalsContact C-N 3.31Å; G238-G240 PolarHBondContact O-N 3.18Å; G240-T244 WeakPolarHBondContact O-CG2 3.41Å; G240-T244 PolarHBondContact O-N 3.05Å; G240-T244 VanDerWaalsContact O-N 3.13Å; G240-T244 PolarHBondContact O-OG1 3.33Å; G240-E281 WeakPolarHBondContact CA-OE1 3.33Å
241H91.6Very high82.3Confident83 Ų8351.5 Ų51.538%0.38431%0.307SS..Hα-helixtrans-69.9-38.4174.2-72.698.9000112.3L237 G238 V239 V243 T244 T245 K285L237-H241 HydrophobicContact CB-CB 4.23Å; L237-H241 HydrophobicContact CD2-CB 4.22Å; G238-H241 WeakPolarHBondContact O-CA 3.48Å; G238-H241 WeakPolarHBondContact O-CB 3.23Å; G238-H241 PolarHBondContact O-N 3.41Å; V239-H241 VanDerWaalsContact C-N 3.34Å; V239-H241 PolarHBondContact O-N 3.32Å; H241-V243 VanDerWaalsContact C-N 3.25Å; H241-V243 PolarHBondContact O-N 3.16Å; H241-T244 PolarHBondContact O-N 3.41Å; H241-T244 PolarHBondContact O-OG1 3.24Å; H241-T245 VanDerWaalsContact O-CB 3.25Å; H241-T245 WeakPolarHBondContact O-CB 3.32Å; H241-T245 PolarHBondContact O-N 2.99Å; H241-T245 PolarHBondContact O-OG1 3.36Å; H241-K285 PolarHBondContact CE1-NZ 3.18Å; H241-K285 PolarHBondContact ND1-NZ 3.03Å; H241-K285 VanDerWaalsContact ND1-NZ 3.18Å; H241-K285 PolarHBondContact NE2-NZ 3.3Å
242V92.9Very high83.5Confident0 Ų054.1 Ų54.10%032%0.32CS..Hα-helixtrans-56.4-43.1176170.40000110.8A92 V107 L237 G238 V239 S246A92-V242 HydrophobicContact CB-CG1 3.61Å; V107-V242 HydrophobicContact CB-CG1 4.16Å; V107-V242 HydrophobicContact CG1-CB 4.34Å; V107-V242 HydrophobicContact CG1-CG1 3.98Å; V107-V242 HydrophobicContact CG1-CG2 4.39Å; L237-V242 HydrophobicContact CB-CG2 3.69Å; G238-V242 WeakPolarHBondContact O-CG2 3.37Å; G238-V242 PolarHBondContact O-N 3.13Å; V239-V242 PolarHBondContact O-N 3.37Å; V242-S246 VanDerWaalsContact O-CB 3.26Å; V242-S246 WeakPolarHBondContact O-CB 3.37Å; V242-S246 PolarHBondContact O-N 2.91Å; V242-S246 VanDerWaalsContact O-N 3.11Å
243V93.6Very high85.7Confident0 Ų054.7 Ų54.70%031%0.313CS..Hα-helixtrans-65.3-52.9175.6166.50000112L81 L83 A92 V239 H241 T245 S246 V247 L282L81-V243 HydrophobicContact CD2-CB 4.08Å; L81-V243 HydrophobicContact CD2-CG1 3.51Å; L81-V243 HydrophobicContact CD2-CG2 4.05Å; L83-V243 HydrophobicContact CB-CG2 4.36Å; L83-V243 HydrophobicContact CD1-CG2 3.85Å; L83-V243 HydrophobicContact CD2-CG2 4.08Å; L83-V243 HydrophobicContact CG-CG2 4.32Å; A92-V243 HydrophobicContact CB-CG2 4.42Å; V239-V243 PolarHBondContact O-N 2.78Å; H241-V243 VanDerWaalsContact C-N 3.25Å; H241-V243 PolarHBondContact O-N 3.16Å; V243-T245 PolarHBondContact O-N 3.11Å; V243-S246 WeakPolarHBondContact O-CB 3.4Å; V243-S246 PolarHBondContact O-N 3.23Å; V243-V247 WeakPolarHBondContact O-CG2 3.39Å; V243-V247 PolarHBondContact O-N 3.42Å; V243-L282 HydrophobicContact CB-CD2 3.77Å; V243-L282 HydrophobicContact CG1-CD1 3.95Å; V243-L282 HydrophobicContact CG1-CD2 3.43Å; V243-L282 VanDerWaalsContact CG1-CD2 3.43Å; V243-L282 HydrophobicContact CG1-CG 4.35Å; V243-L282 HydrophobicContact CG2-CD2 4.47Å
244T92.7Very high87.6Confident26 Ų2653.6 Ų53.616%0.1630%0.296CS..Hα-helixtrans-68.4-35.3-174.5570000112.4G240 H241 G248 L282 K285G240-T244 WeakPolarHBondContact O-CG2 3.41Å; G240-T244 PolarHBondContact O-N 3.05Å; G240-T244 VanDerWaalsContact O-N 3.13Å; G240-T244 PolarHBondContact O-OG1 3.33Å; H241-T244 PolarHBondContact O-N 3.41Å; H241-T244 PolarHBondContact O-OG1 3.24Å; T244-G248 PolarHBondContact O-N 3.29Å; T244-L282 HydrophobicContact CG2-CD2 4.07Å; T244-K285 HydrophobicContact CG2-CB 3.74Å; T244-K285 HydrophobicContact CG2-CD 3.97Å; T244-K285 HydrophobicContact CG2-CG 4.49Å
245T92.8Very high89.4Confident52 Ų5248.7 Ų48.732%0.31926%0.264SS..Hα-helixtrans-64.2-44.6172.3-60.40000110.8V107 H241 V243 V247 G248 M249V107-T245 HydrophobicContact CG1-CG2 4.47Å; V107-T245 HydrophobicContact CG2-CG2 3.97Å; H241-T245 VanDerWaalsContact O-CB 3.25Å; H241-T245 WeakPolarHBondContact O-CB 3.32Å; H241-T245 PolarHBondContact O-N 2.99Å; H241-T245 PolarHBondContact O-OG1 3.36Å; V243-T245 PolarHBondContact O-N 3.11Å; T245-V247 PolarHBondContact O-N 2.84Å; T245-G248 PolarHBondContact O-N 3.08Å; T245-G248 VanDerWaalsContact O-N 3.16Å; T245-M249 HydrophobicContact CG2-CG 4.39Å; T245-M249 HydrophobicContact CG2-SD 4.06Å; T245-M249 VanDerWaalsContact O-CG 3.28Å; T245-M249 WeakPolarHBondContact O-CG 3.47Å; T245-M249 PolarHBondContact O-N 2.85Å
246S93.1Very high90.7Very high0 Ų045.6 Ų45.60%025%0.246CC..Hα-helixtrans-58.7-46.5177.9175.20000112L81 P94 G105 V242 V243 C250L81-S246 WeakPolarHBondContact CD1-OG 3.25Å; P94-S246 WeakPolarHBondContact CD-OG 3.24Å; G105-S246 WeakPolarHBondContact O-CB 3.35Å; G105-S246 PolarHBondContact O-OG 2.8Å; V242-S246 VanDerWaalsContact O-CB 3.26Å; V242-S246 WeakPolarHBondContact O-CB 3.37Å; V242-S246 PolarHBondContact O-N 2.91Å; V242-S246 VanDerWaalsContact O-N 3.11Å; V243-S246 WeakPolarHBondContact O-CB 3.4Å; V243-S246 PolarHBondContact O-N 3.23Å; S246-C250 PolarHBondContact O-SG 3.26Å
247V92.1Very high91.1Very high1 Ų144.2 Ų44.21%0.00625%0.247CC..Hα-helixtrans-70.5-33.8176.5-178.40000111.9L81 V243 T245 M249 C250 R255 L258 Y259L81-V247 HydrophobicContact CD1-CG2 4.37Å; L81-V247 HydrophobicContact CD2-CG2 3.97Å; V243-V247 WeakPolarHBondContact O-CG2 3.39Å; V243-V247 PolarHBondContact O-N 3.42Å; T245-V247 PolarHBondContact O-N 2.84Å; V247-M249 VanDerWaalsContact C-N 3.33Å; V247-M249 PolarHBondContact O-N 3.45Å; V247-C250 WeakPolarHBondContact O-CB 3.49Å; V247-C250 PolarHBondContact O-N 3.41Å; V247-R255 HydrophobicContact CG1-CB 3.7Å; V247-R255 HydrophobicContact CG1-CG 3.73Å; V247-R255 PolarHBondContact O-NE 3.31Å; V247-L258 HydrophobicContact CG1-CB 4.32Å; V247-L258 HydrophobicContact CG1-CD1 4.24Å; V247-L258 HydrophobicContact CG2-CB 4.07Å; V247-L258 HydrophobicContact CG2-CD1 4.31Å; V247-Y259 HydrophobicContact CB-CE2 4.03Å; V247-Y259 HydrophobicContact CG1-CD2 3.75Å; V247-Y259 HydrophobicContact CG1-CE2 3.32Å; V247-Y259 HydrophobicContact CG2-CE1 4.33Å; V247-Y259 HydrophobicContact CG2-CE2 4.45Å
248G91.2Very high91.3Very high37 Ų3741.3 Ų41.338%0.38123%0.232SC..Hα-helixtrans-68.3-29.3178.400000114T244 T245 C250 R255T244-G248 PolarHBondContact O-N 3.29Å; T245-G248 PolarHBondContact O-N 3.08Å; T245-G248 VanDerWaalsContact O-N 3.16Å; G248-C250 VanDerWaalsContact C-N 3.3Å; G248-R255 PolarHBondContact O-NH2 3.4Å
249M91.3Very high91.4Very high102 Ų10241.8 Ų41.850%0.50223%0.234SC..Hα-helixtrans-78.1-16.3174.3-64.6172.665.500112.9A104 V107 T245 V247A104-M249 CarbonylContact O-C 3.46Å; A104-M249 WeakPolarHBondContact O-CB 3.19Å; V107-M249 HydrophobicContact CG2-SD 3.91Å; T245-M249 HydrophobicContact CG2-CG 4.39Å; T245-M249 HydrophobicContact CG2-SD 4.06Å; T245-M249 VanDerWaalsContact O-CG 3.28Å; T245-M249 WeakPolarHBondContact O-CG 3.47Å; T245-M249 PolarHBondContact O-N 2.85Å; V247-M249 VanDerWaalsContact C-N 3.33Å; V247-M249 PolarHBondContact O-N 3.45Å
250C91.3Very high91.3Very high3 Ų342.4 Ų42.42%0.0224%0.24CC..SBendtrans-81155.8176.5-68.40000112.4P94 S246 V247 G248 I254 R255 L258P94-C250 VanDerWaalsContact CG-SG 3.56Å; S246-C250 PolarHBondContact O-SG 3.26Å; V247-C250 WeakPolarHBondContact O-CB 3.49Å; V247-C250 PolarHBondContact O-N 3.41Å; G248-C250 VanDerWaalsContact C-N 3.3Å; C250-I254 HydrophobicContact CB-CD1 3.61Å; C250-I254 HydrophobicContact CB-CG1 3.96Å; C250-R255 PolarHBondContact O-NE 3.01Å; C250-R255 PolarHBondContact O-NH2 3.39Å; C250-L258 HydrophobicContact CB-CD1 3.82Å
251D89.9Confident91.2Very high120 Ų12042.5 Ų42.564%0.64224%0.241SC*.  trans-58.5144.7176.2-68.8-36.7000111.9D253 I254 R255D251-D253 PolarHBondContact O-N 3.28Å; D251-D253 VanDerWaalsContact O-N 3.15Å; D251-I254 HydrophobicContact CB-CG1 4.22Å; D251-I254 WeakPolarHBondContact O-CG1 3.49Å; D251-I254 PolarHBondContact O-N 3.48Å; D251-R255 VanDerWaalsContact O-CG 3.32Å; D251-R255 WeakPolarHBondContact O-CG 3.12Å; D251-R255 PolarHBondContact O-N 3.07Å
252I89.2Confident91.2Very high113 Ų11338.5 Ų38.558%0.57922%0.222SC*.THydrogen-bonded Turntrans-59-32.4-172.5-165.8165.9000113I254 R255 P256I252-I254 VanDerWaalsContact C-N 3.33Å; I252-I254 PolarHBondContact O-N 3.38Å; I252-R255 PolarHBondContact O-N 3.04Å; I252-P256 WeakPolarHBondContact O-CD 3.41Å
253D89.9Confident91.1Very high141 Ų14139.2 Ų39.275%0.75423%0.227SC*.THydrogen-bonded Turntrans-70.6-27.7-176.3-61.5-31.4000113D251D251-D253 PolarHBondContact O-N 3.28Å; D251-D253 VanDerWaalsContact O-N 3.15Å
254I89.8Confident91.1Very high21 Ų2139.4 Ų39.411%0.10823%0.228CC..THydrogen-bonded Turntrans-91.5-19.8-179.460.3166.1000113L101 C250 D251 I252 P256 G257 L258L101-I254 HydrophobicContact CD1-CD1 3.25Å; C250-I254 HydrophobicContact CB-CD1 3.61Å; C250-I254 HydrophobicContact CB-CG1 3.96Å; D251-I254 HydrophobicContact CB-CG1 4.22Å; D251-I254 WeakPolarHBondContact O-CG1 3.49Å; D251-I254 PolarHBondContact O-N 3.48Å; I252-I254 VanDerWaalsContact C-N 3.33Å; I252-I254 PolarHBondContact O-N 3.38Å; I254-P256 VanDerWaalsContact C-CD 3.47Å; I254-G257 WeakPolarHBondContact O-CA 3.47Å; I254-G257 PolarHBondContact O-N 3.32Å; I254-L258 HydrophobicContact CD1-CD1 4.27Å; I254-L258 HydrophobicContact CG1-CD1 4.38Å; I254-L258 WeakPolarHBondContact O-CG 3.33Å; I254-L258 PolarHBondContact O-N 3.49Å
255R91.7Very high91Very high72 Ų7238.4 Ų38.427%0.27222%0.222SC..Hα-helixtrans-55.3-41.4-177.9-55.5-175.9-172176.1-0.3114.1V247 G248 C250 D251 I252 G257 L258 Y259 M290V247-R255 HydrophobicContact CG1-CB 3.7Å; V247-R255 HydrophobicContact CG1-CG 3.73Å; V247-R255 PolarHBondContact O-NE 3.31Å; G248-R255 PolarHBondContact O-NH2 3.4Å; C250-R255 PolarHBondContact O-NE 3.01Å; C250-R255 PolarHBondContact O-NH2 3.39Å; D251-R255 VanDerWaalsContact O-CG 3.32Å; D251-R255 WeakPolarHBondContact O-CG 3.12Å; D251-R255 PolarHBondContact O-N 3.07Å; I252-R255 PolarHBondContact O-N 3.04Å; R255-G257 VanDerWaalsContact C-N 3.27Å; R255-G257 PolarHBondContact O-N 3.25Å; R255-L258 PolarHBondContact O-N 3.01Å; R255-Y259 WeakPolarHBondContact O-CD2 3.41Å; R255-Y259 PolarHBondContact O-N 3.23Å; R255-M290 HydrophobicContact CB-CE 3.68Å; R255-M290 HydrophobicContact CB-SD 3.94Å
256P90.9Very high90.8Very high63 Ų6336.2 Ų36.241%0.40921%0.209SC..Hα-helixtrans-60.5-37175.8-23.734.8000112.7I252 I254 G260 M290I252-P256 WeakPolarHBondContact O-CD 3.41Å; I254-P256 VanDerWaalsContact C-CD 3.47Å; P256-G260 WeakPolarHBondContact O-CA 3.38Å; P256-G260 PolarHBondContact O-N 3.42Å; P256-M290 HydrophobicContact CG-CE 4.35Å; P256-M290 HydrophobicContact CG-CG 4.41Å
257G88.7Confident90.5Very high30 Ų3038 Ų3831%0.30923%0.228SC..Hα-helixtrans-67.1-40.917500000112.5I254 R255 G260 S261I254-G257 WeakPolarHBondContact O-CA 3.47Å; I254-G257 PolarHBondContact O-N 3.32Å; R255-G257 VanDerWaalsContact C-N 3.27Å; R255-G257 PolarHBondContact O-N 3.25Å; G257-G260 PolarHBondContact O-N 3.18Å; G257-S261 PolarHBondContact O-N 3.49Å
258L90.6Very high90.4Very high0 Ų038.8 Ų38.80%023%0.232CC..Hα-helixtrans-65.8-51.6178.7-62.8177.9000112.3T79 G80 L81 P94 V247 C250 I254 R255 G260 S261T79-L258 HydrophobicContact CG2-CD2 4.12Å; G80-L258 VanDerWaalsContact O-CD2 3.28Å; G80-L258 WeakPolarHBondContact O-CD2 3.36Å; L81-L258 HydrophobicContact CB-CB 4.46Å; P94-L258 HydrophobicContact CB-CD1 3.87Å; P94-L258 HydrophobicContact CB-CD2 3.7Å; P94-L258 HydrophobicContact CB-CG 4.45Å; V247-L258 HydrophobicContact CG1-CB 4.32Å; V247-L258 HydrophobicContact CG1-CD1 4.24Å; V247-L258 HydrophobicContact CG2-CB 4.07Å; V247-L258 HydrophobicContact CG2-CD1 4.31Å; C250-L258 HydrophobicContact CB-CD1 3.82Å; I254-L258 HydrophobicContact CD1-CD1 4.27Å; I254-L258 HydrophobicContact CG1-CD1 4.38Å; I254-L258 WeakPolarHBondContact O-CG 3.33Å; I254-L258 PolarHBondContact O-N 3.49Å; R255-L258 PolarHBondContact O-N 3.01Å; L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.4Å; L258-S261 CarbonylContact O-C 3.46Å; L258-S261 PolarHBondContact O-N 3.16Å
259Y92.3Very high90.4Very high12 Ų1237 Ų375%0.04721%0.214CC..Hα-helixtrans-65.2-32.7174.7-78.4-62.2000112.3V247 R255 S261 T286 M290 R291 L292 K293V247-Y259 HydrophobicContact CB-CE2 4.03Å; V247-Y259 HydrophobicContact CG1-CD2 3.75Å; V247-Y259 HydrophobicContact CG1-CE2 3.32Å; V247-Y259 HydrophobicContact CG2-CE1 4.33Å; V247-Y259 HydrophobicContact CG2-CE2 4.45Å; R255-Y259 WeakPolarHBondContact O-CD2 3.41Å; R255-Y259 PolarHBondContact O-N 3.23Å; Y259-S261 PolarHBondContact O-N 3.02Å; Y259-S261 VanDerWaalsContact O-N 3.14Å; Y259-T286 HydrophobicContact CD1-CG2 3.93Å; Y259-T286 HydrophobicContact CD2-CG2 4.08Å; Y259-T286 HydrophobicContact CE1-CG2 4.21Å; Y259-T286 WeakPolarHBondContact CE1-OG1 3.47Å; Y259-T286 HydrophobicContact CE2-CG2 4.33Å; Y259-T286 HydrophobicContact CG-CG2 3.86Å; Y259-M290 HydrophobicContact CD2-CB 4.32Å; Y259-M290 HydrophobicContact CD2-SD 3.47Å; Y259-M290 WeakPolarHBondContact CD2-SD 3.47Å; Y259-M290 HydrophobicContact CE2-SD 3.77Å; Y259-R291 CarbonylContact C-O 3.53Å; Y259-L292 HydrophobicContact CD1-CD1 4Å; Y259-L292 CarbonylContact O-C 3.58Å; Y259-L292 WeakPolarHBondContact O-CA 3.44Å; Y259-K293 PolarHBondContact O-N 3.3Å
260G89.6Confident90.3Very high14 Ų1435 Ų3514%0.14421%0.205CC..THydrogen-bonded Turntrans-64.5-11.917600000113.9R77 P256 G257 L258 R291 K293R77-G260 PolarHBondContact NH1-O 3.22Å; P256-G260 WeakPolarHBondContact O-CA 3.38Å; P256-G260 PolarHBondContact O-N 3.42Å; G257-G260 PolarHBondContact O-N 3.18Å; L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.4Å; G260-R291 WeakPolarHBondContact CA-O 3.36Å; G260-R291 PolarHBondContact N-O 3.38Å; G260-K293 VanDerWaalsContact O-CB 3.31Å; G260-K293 WeakPolarHBondContact O-CB 3.24Å
261S90.1Very high90.3Very high2 Ų235.9 Ų35.91%0.01421%0.209CC..THydrogen-bonded Turntrans-154.573.2179.9-168.20000111.9L71 G80 L81 G257 L258 Y259L71-S261 WeakPolarHBondContact CD2-OG 3.41Å; G80-S261 CarbonylContact C-O 3.59Å; G80-S261 VanDerWaalsContact CA-O 3.25Å; G80-S261 WeakPolarHBondContact CA-O 3.32Å; L81-S261 PolarHBondContact N-O 3.31Å; G257-S261 PolarHBondContact O-N 3.49Å; L258-S261 CarbonylContact O-C 3.46Å; L258-S261 PolarHBondContact O-N 3.16Å; Y259-S261 PolarHBondContact O-N 3.02Å; Y259-S261 VanDerWaalsContact O-N 3.14Å
262V91.9Very high90.3Very high0 Ų036.4 Ų36.40%021%0.207CC..EExtended strand (participates in β ladder)trans-88.3105.6174.6-177.60000109.4L81 L282 L292 K293 L294 I295L81-V262 HydrophobicContact CB-CG2 4.44Å; L81-V262 HydrophobicContact CD2-CG1 4.38Å; L81-V262 CarbonylContact O-C 3.56Å; L81-V262 WeakPolarHBondContact O-CA 2.86Å; V262-L282 HydrophobicContact CG1-CD1 4.39Å; V262-L292 HydrophobicContact CG2-CD1 3.91Å; V262-K293 PolarHBondContact N-O 3.1Å; V262-L294 CarbonylContact O-C 3.57Å; V262-L294 WeakPolarHBondContact O-CA 3.35Å; V262-I295 PolarHBondContact O-N 2.7Å
263V91.1Very high90.4Very high15 Ų1531.6 Ų31.69%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-88.6127.5178.1-178.60000109.7L71 L81 V82 L83 I295L71-V263 HydrophobicContact CD2-CG2 4.12Å; L81-V263 PolarHBondContact O-N 3.32Å; V82-V263 HydrophobicContact CG2-CB 4.43Å; L83-V263 PolarHBondContact N-O 3.21Å; V263-I295 CarbonylContact C-O 3.48Å; V263-I295 WeakPolarHBondContact CA-O 3.47Å
264V92.4Very high90.5Very high4 Ų424.9 Ų24.92%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-109.5123.4-179.4-177.20000110L83 T269 F274 T275 L278 L294 I295 A296L83-V264 HydrophobicContact CD2-CG1 4.45Å; L83-V264 HydrophobicContact CD2-CG2 4.37Å; L83-V264 WeakPolarHBondContact O-CA 3.49Å; V264-T269 HydrophobicContact CG1-CG2 3.53Å; V264-F274 HydrophobicContact CG1-CE1 4.15Å; V264-T275 HydrophobicContact CG1-CG2 4.49Å; V264-L278 HydrophobicContact CG1-CD2 4.46Å; V264-L278 HydrophobicContact CG2-CD2 3.84Å; V264-L294 HydrophobicContact CG2-CD1 3.91Å; V264-L294 HydrophobicContact CG2-CD2 3.9Å; V264-L294 HydrophobicContact CG2-CG 3.78Å; V264-I295 PolarHBondContact N-O 2.69Å; V264-A296 HydrophobicContact CB-CB 4.14Å
265T91.6Very high90.6Very high5 Ų525 Ų253%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-143.4169.1-177.2-169.50000111.4V82 L83 D84 S85 T269 R303 S306V82-T265 HydrophobicContact CG1-CG2 3.91Å; L83-T265 PolarHBondContact O-N 2.97Å; D84-T265 CarbonylContact C-O 3.2Å; D84-T265 VanDerWaalsContact CA-O 3.31Å; D84-T265 WeakPolarHBondContact CA-O 3.48Å; D84-T265 HydrophobicContact CB-CG2 3.78Å; S85-T265 PolarHBondContact N-O 3Å; T265-T269 WeakPolarHBondContact O-CG2 3.27Å; T265-R303 PolarHBondContact OG1-O 3.35Å; T265-S306 VanDerWaalsContact OG1-CB 3.31Å; T265-S306 WeakPolarHBondContact OG1-CB 3.44Å; T265-S306 PolarHBondContact OG1-OG 3.42Å
266G88.7Confident90.7Very high6 Ų626.1 Ų26.16%0.06216%0.163CC..SBendtrans102.8156.7-179.100000113D84 S85 N268 T269 R303D84-G266 VanDerWaalsContact OD1-CA 3.27Å; D84-G266 WeakPolarHBondContact OD1-CA 3.25Å; S85-G266 CarbonylContact O-C 3.34Å; S85-G266 VanDerWaalsContact O-C 3.23Å; S85-G266 WeakPolarHBondContact O-CA 3.5Å; G266-N268 PolarHBondContact O-N 3.28Å; G266-T269 PolarHBondContact O-N 2.89Å; G266-T269 PolarHBondContact O-OG1 2.88Å; G266-R303 PolarHBondContact N-O 3.28Å
267G87.1Confident90.7Very high38 Ų3823.7 Ų23.739%0.39215%0.146SC..G310 helixtrans-61.6-38.7-170.900000114.3S85 T269 L270S85-G267 PolarHBondContact O-N 2.65Å; S85-G267 VanDerWaalsContact O-N 3.14Å; G267-T269 PolarHBondContact O-N 3.37Å; G267-L270 WeakPolarHBondContact O-CB 3.05Å; G267-L270 PolarHBondContact O-N 3.33Å
268N89.3Confident91Very high17 Ų1722.3 Ų22.39%0.09113%0.131CC..G310 helixtrans-74-18.9-176.8-49-35.4000112.2S85 G86 G113 M116 G266 L270 I271S85-N268 PolarHBondContact O-N 3.3Å; S85-N268 PolarHBondContact O-ND2 3.41Å; S85-N268 PolarHBondContact OG-ND2 3.2Å; G86-N268 PolarHBondContact O-ND2 3Å; G113-N268 WeakPolarHBondContact CA-OD1 3.22Å; G113-N268 PolarHBondContact N-ND2 2.75Å; M116-N268 HydrophobicContact SD-CB 4.4Å; G266-N268 PolarHBondContact O-N 3.28Å; N268-L270 PolarHBondContact O-N 3.17Å; N268-L270 VanDerWaalsContact O-N 3.1Å; N268-I271 HydrophobicContact CB-CD1 4.15Å; N268-I271 WeakPolarHBondContact O-CB 3.48Å; N268-I271 WeakPolarHBondContact O-CD1 3.03Å; N268-I271 WeakPolarHBondContact O-CG1 3.38Å; N268-I271 PolarHBondContact O-N 2.84Å; N268-I271 VanDerWaalsContact O-N 3.15Å
269T90.7Very high91.1Very high0 Ų025.4 Ų25.40%015%0.148CC..G310 helixtrans-70.6-4.4177.773.60000113.2V264 T265 G266 G267 F274 R303V264-T269 HydrophobicContact CG1-CG2 3.53Å; T265-T269 WeakPolarHBondContact O-CG2 3.27Å; G266-T269 PolarHBondContact O-N 2.89Å; G266-T269 PolarHBondContact O-OG1 2.88Å; G267-T269 PolarHBondContact O-N 3.37Å; T269-F274 HydrophobicContact CG2-CD1 4.19Å; T269-F274 HydrophobicContact CG2-CE1 3.7Å; T269-F274 HydrophobicContact CG2-CZ 4.11Å; T269-R303 PolarHBondContact O-NH1 2.94Å
270L90.3Very high91.1Very high60 Ų6029.2 Ų29.231%0.31416%0.162SC..G310 helixtrans-88-7.9175.3-63.4165000113G267 N268 Q272 T300 R303G267-L270 WeakPolarHBondContact O-CB 3.05Å; G267-L270 PolarHBondContact O-N 3.33Å; N268-L270 PolarHBondContact O-N 3.17Å; N268-L270 VanDerWaalsContact O-N 3.1Å; L270-Q272 PolarHBondContact O-N 2.82Å; L270-T300 HydrophobicContact CD1-CG2 3.47Å; L270-T300 VanDerWaalsContact CD1-CG2 3.47Å; L270-T300 HydrophobicContact CD2-CG2 4Å; L270-T300 HydrophobicContact CG-CG2 4.32Å; L270-R303 HydrophobicContact CD2-CB 4.07Å; L270-R303 HydrophobicContact CD2-CG 4.37Å
271I91.1Very high91.2Very high21 Ų2129.5 Ų29.511%0.10816%0.16CC..SBendtrans-61.3135.5172.9-58.9160.4000108.5M116 L181 V183 L222 N268 G273 F274M116-I271 HydrophobicContact CE-CD1 3.36Å; M116-I271 HydrophobicContact CE-CG1 4.28Å; M116-I271 HydrophobicContact SD-CD1 3.62Å; L181-I271 HydrophobicContact CB-CG2 4.48Å; V183-I271 HydrophobicContact CG2-CB 4.45Å; V183-I271 HydrophobicContact CG2-CG2 3.87Å; L222-I271 HydrophobicContact CD1-CD1 4.42Å; N268-I271 HydrophobicContact CB-CD1 4.15Å; N268-I271 WeakPolarHBondContact O-CB 3.48Å; N268-I271 WeakPolarHBondContact O-CD1 3.03Å; N268-I271 WeakPolarHBondContact O-CG1 3.38Å; N268-I271 PolarHBondContact O-N 2.84Å; N268-I271 VanDerWaalsContact O-N 3.15Å; I271-G273 PolarHBondContact O-N 2.89Å; I271-F274 HydrophobicContact CB-CB 4.45Å; I271-F274 VanDerWaalsContact O-CB 3.25Å; I271-F274 WeakPolarHBondContact O-CB 3.21Å; I271-F274 PolarHBondContact O-N 3.34Å; I271-F274 VanDerWaalsContact O-N 3.13Å
272Q90.2Very high91.3Very high130 Ų13029.4 Ų29.461%0.60716%0.159SC*.BIsolated β-bridgetrans-57.4131.4-179.5-175.2178.3-7.400110.9Q182 V183 L270 F274Q182-Q272 HydrophobicContact CG-CB 4.25Å; Q182-Q272 HydrophobicContact CG-CG 4.29Å; V183-Q272 PolarHBondContact N-O 3.37Å; L270-Q272 PolarHBondContact O-N 2.82Å; Q272-F274 VanDerWaalsContact C-N 3.3Å; Q272-F274 PolarHBondContact O-N 2.91Å
273G90Very high91.3Very high12 Ų1232.5 Ų32.512%0.12418%0.181CC..THydrogen-bonded Turntrans82.1-6.5-179.900000115.4I271 T275 D276 R277I271-G273 PolarHBondContact O-N 2.89Å; G273-T275 PolarHBondContact O-N 2.61Å; G273-D276 PolarHBondContact O-N 2.92Å; G273-R277 WeakPolarHBondContact O-CB 3.48Å; G273-R277 PolarHBondContact O-N 3.2Å
274F92.9Very high91.3Very high0 Ų038.9 Ų38.90%021%0.209CC..Hα-helixtrans-58.6-47-177.6-176-81.9000112.5V183 L222 F223 V239 V264 T269 I271 Q272 L278V183-F274 HydrophobicContact CG2-CB 4.16Å; V183-F274 HydrophobicContact CG2-CD2 4.26Å; L222-F274 HydrophobicContact CD1-CE2 4.17Å; F223-F274 AromaticContact CE2-CD2 3.86Å; F223-F274 HydrophobicContact CE2-CD2 3.86Å; F223-F274 HydrophobicContact CE2-CE2 4Å; F223-F274 AromaticContact CZ-CD2 3.78Å; F223-F274 HydrophobicContact CZ-CD2 3.78Å; F223-F274 AromaticContact CZ-CE2 3.84Å; F223-F274 HydrophobicContact CZ-CE2 3.84Å; F223-F274 HydrophobicContact CZ-CG 4.18Å; F223-F274 HydrophobicContact CZ-CZ 4.28Å; V239-F274 HydrophobicContact CG1-CZ 3.91Å; V239-F274 HydrophobicContact CG2-CE2 4.24Å; V239-F274 HydrophobicContact CG2-CZ 4.08Å; V264-F274 HydrophobicContact CG1-CE1 4.15Å; T269-F274 HydrophobicContact CG2-CD1 4.19Å; T269-F274 HydrophobicContact CG2-CE1 3.7Å; T269-F274 HydrophobicContact CG2-CZ 4.11Å; I271-F274 HydrophobicContact CB-CB 4.45Å; I271-F274 VanDerWaalsContact O-CB 3.25Å; I271-F274 WeakPolarHBondContact O-CB 3.21Å; I271-F274 PolarHBondContact O-N 3.34Å; I271-F274 VanDerWaalsContact O-N 3.13Å; Q272-F274 VanDerWaalsContact C-N 3.3Å; Q272-F274 PolarHBondContact O-N 2.91Å; F274-L278 HydrophobicContact CE1-CD2 4.07Å; F274-L278 VanDerWaalsContact O-CB 3.22Å; F274-L278 WeakPolarHBondContact O-CB 3.2Å; F274-L278 PolarHBondContact O-N 3.14Å
275T92.6Very high91.1Very high25 Ų2542 Ų4215%0.15322%0.223CC..Hα-helixtrans-69.1-37.5-178.142.50000112.8V264 G273 N279 L294 A296V264-T275 HydrophobicContact CG1-CG2 4.49Å; G273-T275 PolarHBondContact O-N 2.61Å; T275-N279 VanDerWaalsContact O-CB 3.26Å; T275-N279 WeakPolarHBondContact O-CB 3.35Å; T275-N279 PolarHBondContact O-N 3.43Å; T275-L294 HydrophobicContact CG2-CD2 4.37Å; T275-A296 HydrophobicContact CG2-CB 3.67Å
276D92.2Very high91Very high95 Ų9542.4 Ų42.451%0.50823%0.225SC..Hα-helixtrans-70.1-48-178.2-59.5-62.4000110.9G273 L278 N279 R280G273-D276 PolarHBondContact O-N 2.92Å; D276-L278 PolarHBondContact O-N 3.36Å; D276-N279 PolarHBondContact O-N 2.8Å; D276-R280 WeakPolarHBondContact O-CB 3.41Å; D276-R280 PolarHBondContact O-N 3.49Å
277R92.4Very high91Very high12 Ų1244.6 Ų44.65%0.04524%0.238CC..Hα-helixtrans-55.6-49.9171.6170.657178.5-84.5-1.5111.7V183 S184 D185 S186 E220 F223 G273 N279 R280 E281V183-R277 HydrophobicContact CG1-CB 3.5Å; V183-R277 HydrophobicContact CG1-CG 3.67Å; S184-R277 WeakPolarHBondContact O-CD 3.48Å; S184-R277 PolarHBondContact O-NH1 2.68Å; S184-R277 VanDerWaalsContact O-NH1 3.11Å; D185-R277 WeakPolarHBondContact O-CD 3.46Å; S186-R277 PolarHBondContact O-NH1 2.84Å; S186-R277 VanDerWaalsContact O-NH1 3.12Å; E220-R277 IonicContact OE1-CZ 2.68Å; E220-R277 IonicContact OE1-NH1 3.48Å; E220-R277 PolarHBondContact OE1-NH1 3.35Å; E220-R277 IonicContact OE1-NH2 2.85Å; E220-R277 PolarHBondContact OE1-NH2 2.84Å; E220-R277 IonicContact OE2-CZ 2.76Å; E220-R277 IonicContact OE2-NH1 3.06Å; E220-R277 PolarHBondContact OE2-NH1 3.34Å; E220-R277 IonicContact OE2-NH2 3.25Å; F223-R277 HydrophobicContact CD1-CG 3.73Å; F223-R277 HydrophobicContact CD2-CG 4.22Å; F223-R277 HydrophobicContact CE1-CB 4.31Å; F223-R277 HydrophobicContact CE1-CG 3.53Å; F223-R277 HydrophobicContact CE2-CG 4.05Å; F223-R277 HydrophobicContact CG-CG 4.07Å; F223-R277 HydrophobicContact CZ-CB 4.17Å; F223-R277 HydrophobicContact CZ-CG 3.7Å; G273-R277 WeakPolarHBondContact O-CB 3.48Å; G273-R277 PolarHBondContact O-N 3.2Å; R277-N279 PolarHBondContact O-N 3.2Å; R277-R280 PolarHBondContact O-N 2.84Å; R277-E281 IonicContact NE-OE2 3.47Å; R277-E281 PolarHBondContact O-N 2.63Å
278L93.8Very high90.8Very high0 Ų049.6 Ų49.60%026%0.264CS..Hα-helixtrans-60.8-46179.6179.362.7000111.4L83 F223 V239 V264 F274 D276 R280 E281 L282 L294L83-L278 HydrophobicContact CD2-CD1 4.34Å; L83-L278 HydrophobicContact CD2-CD2 3.26Å; L83-L278 HydrophobicContact CD2-CG 4.44Å; F223-L278 HydrophobicContact CE1-CB 4.07Å; F223-L278 HydrophobicContact CE1-CD1 4.39Å; F223-L278 HydrophobicContact CZ-CB 4.49Å; V239-L278 HydrophobicContact CG1-CD1 3.81Å; V239-L278 HydrophobicContact CG1-CD2 4.39Å; V264-L278 HydrophobicContact CG1-CD2 4.46Å; V264-L278 HydrophobicContact CG2-CD2 3.84Å; F274-L278 HydrophobicContact CE1-CD2 4.07Å; F274-L278 VanDerWaalsContact O-CB 3.22Å; F274-L278 WeakPolarHBondContact O-CB 3.2Å; F274-L278 PolarHBondContact O-N 3.14Å; D276-L278 PolarHBondContact O-N 3.36Å; L278-R280 VanDerWaalsContact C-N 3.26Å; L278-R280 PolarHBondContact O-N 3.13Å; L278-E281 PolarHBondContact O-N 2.62Å; L278-L282 HydrophobicContact CD1-CD1 3.83Å; L278-L282 HydrophobicContact CD1-CD2 4.43Å; L278-L282 HydrophobicContact CD1-CG 3.88Å; L278-L282 HydrophobicContact CG-CD1 3.88Å; L278-L282 HydrophobicContact CG-CG 4.28Å; L278-L282 WeakPolarHBondContact O-CB 3.16Å; L278-L282 VanDerWaalsContact O-CG 3.24Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.33Å; L278-L294 HydrophobicContact CB-CD1 4.26Å; L278-L294 HydrophobicContact CD2-CD1 3.77Å; L278-L294 HydrophobicContact CG-CD1 3.8Å
279N93.4Very high90.6Very high65 Ų6554 Ų5435%0.34830%0.296SS..Hα-helixtrans-59.2-41178.9-174.253.2000111.4T275 D276 R277 S283 L294T275-N279 VanDerWaalsContact O-CB 3.26Å; T275-N279 WeakPolarHBondContact O-CB 3.35Å; T275-N279 PolarHBondContact O-N 3.43Å; D276-N279 PolarHBondContact O-N 2.8Å; R277-N279 PolarHBondContact O-N 3.2Å; N279-S283 VanDerWaalsContact O-CB 3.28Å; N279-S283 WeakPolarHBondContact O-CB 3.37Å; N279-S283 PolarHBondContact O-N 3Å; N279-S283 PolarHBondContact O-OG 2.89Å; N279-L294 HydrophobicContact CB-CB 4.48Å; N279-L294 HydrophobicContact CB-CD1 4.1Å
280R91.7Very high90.5Very high93 Ų9355.4 Ų55.435%0.35130%0.303SS..Hα-helixtrans-69.2-45.7179.6-164.1174.774.7156.642.1112.7D185 D276 R277 L278 L282 S283 Q284D185-R280 PolarHBondContact O-NE 2.91Å; D185-R280 PolarHBondContact O-NH1 3.42Å; D185-R280 PolarHBondContact O-NH2 3.33Å; D276-R280 WeakPolarHBondContact O-CB 3.41Å; D276-R280 PolarHBondContact O-N 3.49Å; R277-R280 PolarHBondContact O-N 2.84Å; L278-R280 VanDerWaalsContact C-N 3.26Å; L278-R280 PolarHBondContact O-N 3.13Å; R280-L282 VanDerWaalsContact C-N 3.35Å; R280-S283 PolarHBondContact O-N 2.92Å; R280-Q284 WeakPolarHBondContact O-CG 3.42Å; R280-Q284 PolarHBondContact O-N 3.38Å; R280-Q284 VanDerWaalsContact O-N 3.14Å
281E91.4Very high90.4Very high20 Ų2062.6 Ų62.69%0.09333%0.326CS..Hα-helixtrans-62.9-43177.5-171.2178.6148.800111.4F223 G240 R277 L278 Q284 K285F223-E281 WeakPolarHBondContact CD1-OE2 3.47Å; G240-E281 WeakPolarHBondContact CA-OE1 3.33Å; R277-E281 IonicContact NE-OE2 3.47Å; R277-E281 PolarHBondContact O-N 2.63Å; L278-E281 PolarHBondContact O-N 2.62Å; E281-Q284 PolarHBondContact O-N 3.47Å; E281-K285 HydrophobicContact CG-CD 4.22Å; E281-K285 WeakPolarHBondContact O-CG 3.22Å; E281-K285 PolarHBondContact O-N 3.02Å; E281-K285 VanDerWaalsContact O-N 3.13Å; E281-K285 IonicContact OE1-NZ 3.17Å; E281-K285 PolarHBondContact OE1-NZ 2.65Å
282L92.4Very high90.5Very high0 Ų063 Ų630%033%0.328CS..Hα-helixtrans-66.2-38.2175.2-67.8-178.8000111.9V243 T244 V262 L278 R280 Q284 K285 T286 L292 L294V243-L282 HydrophobicContact CB-CD2 3.77Å; V243-L282 HydrophobicContact CG1-CD1 3.95Å; V243-L282 HydrophobicContact CG1-CD2 3.43Å; V243-L282 VanDerWaalsContact CG1-CD2 3.43Å; V243-L282 HydrophobicContact CG1-CG 4.35Å; V243-L282 HydrophobicContact CG2-CD2 4.47Å; T244-L282 HydrophobicContact CG2-CD2 4.07Å; V262-L282 HydrophobicContact CG1-CD1 4.39Å; L278-L282 HydrophobicContact CD1-CD1 3.83Å; L278-L282 HydrophobicContact CD1-CD2 4.43Å; L278-L282 HydrophobicContact CD1-CG 3.88Å; L278-L282 HydrophobicContact CG-CD1 3.88Å; L278-L282 HydrophobicContact CG-CG 4.28Å; L278-L282 WeakPolarHBondContact O-CB 3.16Å; L278-L282 VanDerWaalsContact O-CG 3.24Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.33Å; R280-L282 VanDerWaalsContact C-N 3.35Å; L282-Q284 PolarHBondContact O-N 2.9Å; L282-K285 PolarHBondContact O-N 3.05Å; L282-T286 VanDerWaalsContact O-CB 3.23Å; L282-T286 WeakPolarHBondContact O-CB 3.49Å; L282-T286 PolarHBondContact O-N 2.78Å; L282-T286 PolarHBondContact O-OG1 3.22Å; L282-L292 HydrophobicContact CB-CD1 4.14Å; L282-L292 HydrophobicContact CB-CD2 3.51Å; L282-L292 HydrophobicContact CD1-CD1 4.32Å; L282-L294 HydrophobicContact CD1-CD1 4.33Å
283S91.8Very high90.6Very high65 Ų6560.8 Ų60.846%0.45532%0.316SS..Hα-helixtrans-62-34177.7-64.10000112.3N279 R280 L292N279-S283 VanDerWaalsContact O-CB 3.28Å; N279-S283 WeakPolarHBondContact O-CB 3.37Å; N279-S283 PolarHBondContact O-N 3Å; N279-S283 PolarHBondContact O-OG 2.89Å; R280-S283 PolarHBondContact O-N 2.92Å; S283-L292 WeakPolarHBondContact OG-CD2 3.39Å
284Q90.5Very high90.6Very high148 Ų14861.9 Ų61.969%0.69232%0.319SS*.Hα-helixtrans-75-35.1175.7-69.1175.3-5.900112.8R280 E281 L282R280-Q284 WeakPolarHBondContact O-CG 3.42Å; R280-Q284 PolarHBondContact O-N 3.38Å; R280-Q284 VanDerWaalsContact O-N 3.14Å; E281-Q284 PolarHBondContact O-N 3.47Å; L282-Q284 PolarHBondContact O-N 2.9Å
285K88.9Confident90.4Very high71 Ų7162.9 Ų62.931%0.30933%0.325SS..Hα-helixtrans-87.2-20.5-177.9-66.8177.9178.1176.80113.8H241 T244 E281 L282H241-K285 PolarHBondContact CE1-NZ 3.18Å; H241-K285 PolarHBondContact ND1-NZ 3.03Å; H241-K285 VanDerWaalsContact ND1-NZ 3.18Å; H241-K285 PolarHBondContact NE2-NZ 3.3Å; T244-K285 HydrophobicContact CG2-CB 3.74Å; T244-K285 HydrophobicContact CG2-CD 3.97Å; T244-K285 HydrophobicContact CG2-CG 4.49Å; E281-K285 HydrophobicContact CG-CD 4.22Å; E281-K285 WeakPolarHBondContact O-CG 3.22Å; E281-K285 PolarHBondContact O-N 3.02Å; E281-K285 VanDerWaalsContact O-N 3.13Å; E281-K285 IonicContact OE1-NZ 3.17Å; E281-K285 PolarHBondContact OE1-NZ 2.65Å; L282-K285 PolarHBondContact O-N 3.05Å
286T89.3Confident90.1Very high13 Ų1362.7 Ų62.78%0.0833%0.325CS..SBendtrans-74.8131-179.9-58.60000109.6Y259 L282 M290 L292Y259-T286 HydrophobicContact CD1-CG2 3.93Å; Y259-T286 HydrophobicContact CD2-CG2 4.08Å; Y259-T286 HydrophobicContact CE1-CG2 4.21Å; Y259-T286 WeakPolarHBondContact CE1-OG1 3.47Å; Y259-T286 HydrophobicContact CE2-CG2 4.33Å; Y259-T286 HydrophobicContact CG-CG2 3.86Å; L282-T286 VanDerWaalsContact O-CB 3.23Å; L282-T286 WeakPolarHBondContact O-CB 3.49Å; L282-T286 PolarHBondContact O-N 2.78Å; L282-T286 PolarHBondContact O-OG1 3.22Å; T286-M290 HydrophobicContact CG2-CB 3.83Å; T286-L292 HydrophobicContact CG2-CB 4.45Å
287P88.1Confident89.6Confident52 Ų5261.2 Ų61.234%0.33832%0.317SS..  trans-55.3139.9175-2634.7000111.5S289 M290P287-S289 PolarHBondContact O-N 3.33Å; P287-M290 HydrophobicContact CG-SD 4.16Å; P287-M290 PolarHBondContact O-N 2.97Å
288P84.9Confident88.6Confident143 Ų14368 Ų6893%0.92935%0.354SS*.THydrogen-bonded Turntrans-58.8-20.5-179.4-24.432.8000114.5M290P288-M290 VanDerWaalsContact C-N 3.27Å; P288-M290 PolarHBondContact O-N 3.15Å
289S85.1Confident88Confident109 Ų10971.2 Ų71.276%0.76237%0.374SS*.THydrogen-bonded Turntrans-74-14175.354.80000113.9P287P287-S289 PolarHBondContact O-N 3.33Å
290M88.1Confident87.5Confident30 Ų3072.3 Ų72.315%0.14838%0.383CS..SBendtrans-111.6134.1-177.6-62.6177.8-176.200110.1R255 P256 Y259 T286 P287 P288R255-M290 HydrophobicContact CB-CE 3.68Å; R255-M290 HydrophobicContact CB-SD 3.94Å; P256-M290 HydrophobicContact CG-CE 4.35Å; P256-M290 HydrophobicContact CG-CG 4.41Å; Y259-M290 HydrophobicContact CD2-CB 4.32Å; Y259-M290 HydrophobicContact CD2-SD 3.47Å; Y259-M290 WeakPolarHBondContact CD2-SD 3.47Å; Y259-M290 HydrophobicContact CE2-SD 3.77Å; T286-M290 HydrophobicContact CG2-CB 3.83Å; P287-M290 HydrophobicContact CG-SD 4.16Å; P287-M290 PolarHBondContact O-N 2.97Å; P288-M290 VanDerWaalsContact C-N 3.27Å; P288-M290 PolarHBondContact O-N 3.15Å
291R88.3Confident87.1Confident210 Ų21072.2 Ų72.279%0.79239%0.393SS*.  trans-89.6110.1177.2-175.8179.2178-178.52110.1Y259 G260Y259-R291 CarbonylContact C-O 3.53Å; G260-R291 WeakPolarHBondContact CA-O 3.36Å; G260-R291 PolarHBondContact N-O 3.38Å
292L92.6Very high86.6Confident29 Ų2974.9 Ų74.915%0.15241%0.405CS..  trans-70.1132.7170.4-17969.9000110.6Y259 V262 L282 S283 T286Y259-L292 HydrophobicContact CD1-CD1 4Å; Y259-L292 CarbonylContact O-C 3.58Å; Y259-L292 WeakPolarHBondContact O-CA 3.44Å; V262-L292 HydrophobicContact CG2-CD1 3.91Å; L282-L292 HydrophobicContact CB-CD1 4.14Å; L282-L292 HydrophobicContact CB-CD2 3.51Å; L282-L292 HydrophobicContact CD1-CD1 4.32Å; S283-L292 WeakPolarHBondContact OG-CD2 3.39Å; T286-L292 HydrophobicContact CG2-CB 4.45Å
293K91.6Very high86.2Confident84 Ų8476 Ų7637%0.36541%0.41SS..  trans-134.9106.5164.3-174.3-173179.8-178.40108.8Y259 G260 V262 I295Y259-K293 PolarHBondContact O-N 3.3Å; G260-K293 VanDerWaalsContact O-CB 3.31Å; G260-K293 WeakPolarHBondContact O-CB 3.24Å; V262-K293 PolarHBondContact N-O 3.1Å; K293-I295 HydrophobicContact CD-CD1 4.22Å; K293-I295 HydrophobicContact CD-CG1 4.28Å; K293-I295 HydrophobicContact CG-CG1 4.1Å
294L90.7Very high85.9Confident35 Ų3581 Ų8118%0.18342%0.419CS..EExtended strand (participates in β ladder)trans-82134.5170.7-167.5140.9000109.6V262 V264 T275 L278 N279 L282 A296V262-L294 CarbonylContact O-C 3.57Å; V262-L294 WeakPolarHBondContact O-CA 3.35Å; V264-L294 HydrophobicContact CG2-CD1 3.91Å; V264-L294 HydrophobicContact CG2-CD2 3.9Å; V264-L294 HydrophobicContact CG2-CG 3.78Å; T275-L294 HydrophobicContact CG2-CD2 4.37Å; L278-L294 HydrophobicContact CB-CD1 4.26Å; L278-L294 HydrophobicContact CD2-CD1 3.77Å; L278-L294 HydrophobicContact CG-CD1 3.8Å; N279-L294 HydrophobicContact CB-CB 4.48Å; N279-L294 HydrophobicContact CB-CD1 4.1Å; L282-L294 HydrophobicContact CD1-CD1 4.33Å; L294-A296 HydrophobicContact CD2-CB 4.07Å
295I88.8Confident85.8Confident22 Ų2278.5 Ų78.511%0.11341%0.405CS..EExtended strand (participates in β ladder)trans-128.1115.8-178.1-48.8171.9000108.3L71 V262 V263 V264 K293L71-I295 HydrophobicContact CD1-CB 4.12Å; L71-I295 HydrophobicContact CD1-CD1 3.62Å; L71-I295 HydrophobicContact CD1-CG1 4.41Å; L71-I295 HydrophobicContact CD1-CG2 3.39Å; L71-I295 HydrophobicContact CD2-CD1 3.47Å; L71-I295 VanDerWaalsContact CD2-CD1 3.47Å; L71-I295 HydrophobicContact CG-CD1 4.13Å; V262-I295 PolarHBondContact O-N 2.7Å; V263-I295 CarbonylContact C-O 3.48Å; V263-I295 WeakPolarHBondContact CA-O 3.47Å; V264-I295 PolarHBondContact N-O 2.69Å; K293-I295 HydrophobicContact CD-CD1 4.22Å; K293-I295 HydrophobicContact CD-CG1 4.28Å; K293-I295 HydrophobicContact CG-CG1 4.1Å
296A86.3Confident85.7Confident20 Ų2075.6 Ų75.617%0.16539%0.394CS..  trans-137.3122.2178.300000107.9V264 T275 L294V264-A296 HydrophobicContact CB-CB 4.14Å; T275-A296 HydrophobicContact CG2-CB 3.67Å; L294-A296 HydrophobicContact CD2-CB 4.07Å
297N80.9Confident85.7Confident64 Ų6475.8 Ų75.834%0.34240%0.397SS..  trans-66.5144.8179.8-70.3-15.8000110.4T299 E302 R303N297-T299 VanDerWaalsContact C-N 3.32Å; N297-T299 PolarHBondContact O-N 3.43Å; N297-E302 HydrophobicContact CB-CB 3.8Å; N297-R303 HydrophobicContact CB-CG 4.44Å; N297-R303 WeakPolarHBondContact O-CG 3.33Å; N297-R303 PolarHBondContact O-NE 3.36Å; N297-R303 PolarHBondContact O-NH2 2.9Å
298N71.9Confident85.9Confident154 Ų15482.2 Ų82.282%0.82442%0.415SS*.SBendtrans-81.1-12.9-172.8-69.9-14.2000113.6
299T82.1Confident86.1Confident68 Ų6877.4 Ų77.442%0.41738%0.381SS..SBendtrans-95.4139-179.575.60000112.1N297 V301 E302 R303N297-T299 VanDerWaalsContact C-N 3.32Å; N297-T299 PolarHBondContact O-N 3.43Å; T299-V301 PolarHBondContact O-N 3.43Å; T299-E302 PolarHBondContact O-N 3.35Å; T299-E302 WeakPolarHBondContact OG1-CB 3.38Å; T299-E302 WeakPolarHBondContact OG1-CG 3.31Å; T299-E302 PolarHBondContact OG1-N 3.22Å; T299-E302 PolarHBondContact OG1-OE2 3.15Å; T299-R303 PolarHBondContact O-N 3.33Å
300T81.7Confident86.3Confident88 Ų8872.2 Ų72.254%0.5434%0.344SS..Hα-helixtrans-57.5-39.4178-46.80000112.2L270 R304L270-T300 HydrophobicContact CD1-CG2 3.47Å; L270-T300 VanDerWaalsContact CD1-CG2 3.47Å; L270-T300 HydrophobicContact CD2-CG2 4Å; L270-T300 HydrophobicContact CG-CG2 4.32Å; T300-R304 VanDerWaalsContact O-CB 3.24Å; T300-R304 WeakPolarHBondContact O-CB 3.43Å; T300-R304 PolarHBondContact O-N 3.45Å; T300-R304 VanDerWaalsContact O-N 3.07Å
301V83.1Confident86.4Confident92 Ų9271 Ų7156%0.55834%0.34SS*.Hα-helixtrans-66-45.4-179.4-179.90000110.3T299 R303 R304 F305T299-V301 PolarHBondContact O-N 3.43Å; V301-R303 PolarHBondContact O-N 2.99Å; V301-R304 PolarHBondContact O-N 2.65Å; V301-F305 HydrophobicContact CG1-CD2 3.84Å; V301-F305 HydrophobicContact CG1-CE2 4.48Å; V301-F305 WeakPolarHBondContact O-CB 3.42Å; V301-F305 WeakPolarHBondContact O-CD2 3.23Å; V301-F305 PolarHBondContact O-N 3.21Å
302E82.8Confident86.5Confident75 Ų7563.8 Ų63.835%0.3532%0.322SS..Hα-helixtrans-67.2-37.7-178.4-71.9168.6148.100112.9N297 T299 S306 I309N297-E302 HydrophobicContact CB-CB 3.8Å; T299-E302 PolarHBondContact O-N 3.35Å; T299-E302 WeakPolarHBondContact OG1-CB 3.38Å; T299-E302 WeakPolarHBondContact OG1-CG 3.31Å; T299-E302 PolarHBondContact OG1-N 3.22Å; T299-E302 PolarHBondContact OG1-OE2 3.15Å; E302-S306 WeakPolarHBondContact O-CA 3.49Å; E302-S306 WeakPolarHBondContact O-CB 3.41Å; E302-S306 PolarHBondContact O-N 2.81Å; E302-I309 HydrophobicContact CB-CD1 4.19Å; E302-I309 HydrophobicContact CG-CD1 3.86Å
303R83.4Confident86.3Confident25 Ų2564.8 Ų64.89%0.09433%0.327CS..Hα-helixtrans-72-36.2176.1-69-164.7-166.4167.18.2112.8T265 G266 T269 L270 N297 T299 V301T265-R303 PolarHBondContact OG1-O 3.35Å; G266-R303 PolarHBondContact N-O 3.28Å; T269-R303 PolarHBondContact O-NH1 2.94Å; L270-R303 HydrophobicContact CD2-CB 4.07Å; L270-R303 HydrophobicContact CD2-CG 4.37Å; N297-R303 HydrophobicContact CB-CG 4.44Å; N297-R303 WeakPolarHBondContact O-CG 3.33Å; N297-R303 PolarHBondContact O-NE 3.36Å; N297-R303 PolarHBondContact O-NH2 2.9Å; T299-R303 PolarHBondContact O-N 3.33Å; V301-R303 PolarHBondContact O-N 2.99Å
304R85.4Confident86.1Confident169 Ų16961.2 Ų61.264%0.63831%0.312SS*.Hα-helixtrans-76.5-35.5-178.2-175.5173.4179.4165.31.2112.5T300 V301T300-R304 VanDerWaalsContact O-CB 3.24Å; T300-R304 WeakPolarHBondContact O-CB 3.43Å; T300-R304 PolarHBondContact O-N 3.45Å; T300-R304 VanDerWaalsContact O-N 3.07Å; V301-R304 PolarHBondContact O-N 2.65Å
305F87.4Confident86Confident95 Ų9561.5 Ų61.542%0.41732%0.319SS..SBendtrans-11725.5-174.6-54.8-68.3000112.6V301 A307 W308 I309V301-F305 HydrophobicContact CG1-CD2 3.84Å; V301-F305 HydrophobicContact CG1-CE2 4.48Å; V301-F305 WeakPolarHBondContact O-CB 3.42Å; V301-F305 WeakPolarHBondContact O-CD2 3.23Å; V301-F305 PolarHBondContact O-N 3.21Å; F305-A307 VanDerWaalsContact C-N 3.31Å; F305-A307 PolarHBondContact O-N 3.35Å; F305-W308 HydrophobicContact CB-CB 4.29Å; F305-W308 WeakPolarHBondContact O-CA 3.43Å; F305-W308 WeakPolarHBondContact O-CB 3.33Å; F305-W308 PolarHBondContact O-N 3.06Å; F305-I309 WeakPolarHBondContact O-CG1 3.36Å; F305-I309 PolarHBondContact O-N 3.38Å
306S87.4Confident85.9Confident11 Ų1165 Ų658%0.07735%0.346CS..Hα-helixtrans-52.9-45.8-176.764.60000112.9S67 T265 E302 W308 I309 G310S67-S306 WeakPolarHBondContact CB-OG 3.15Å; S67-S306 PolarHBondContact OG-OG 3.26Å; T265-S306 VanDerWaalsContact OG1-CB 3.31Å; T265-S306 WeakPolarHBondContact OG1-CB 3.44Å; T265-S306 PolarHBondContact OG1-OG 3.42Å; E302-S306 WeakPolarHBondContact O-CA 3.49Å; E302-S306 WeakPolarHBondContact O-CB 3.41Å; E302-S306 PolarHBondContact O-N 2.81Å; S306-W308 VanDerWaalsContact C-N 3.31Å; S306-W308 PolarHBondContact O-N 3.02Å; S306-I309 PolarHBondContact O-N 3.03Å; S306-G310 PolarHBondContact O-N 2.73Å
307A89.4Confident85.9Confident16 Ų1666 Ų6613%0.13235%0.348CS..Hα-helixtrans-64.8-35.9178.600000111.9L66 S67 F305 G311L66-A307 HydrophobicContact CB-CB 4.13Å; L66-A307 WeakPolarHBondContact CB-O 3.33Å; L66-A307 WeakPolarHBondContact CD1-O 3.37Å; S67-A307 PolarHBondContact OG-N 3.13Å; F305-A307 VanDerWaalsContact C-N 3.31Å; F305-A307 PolarHBondContact O-N 3.35Å; A307-G311 PolarHBondContact O-N 3.11Å
308W91.1Very high85.9Confident187 Ų18765.3 Ų65.371%0.70836%0.356SS*.Hα-helixtrans-69.9-43.9176.6-175.886.9000111.3F305 S306 G311 S312F305-W308 HydrophobicContact CB-CB 4.29Å; F305-W308 WeakPolarHBondContact O-CA 3.43Å; F305-W308 WeakPolarHBondContact O-CB 3.33Å; F305-W308 PolarHBondContact O-N 3.06Å; S306-W308 VanDerWaalsContact C-N 3.31Å; S306-W308 PolarHBondContact O-N 3.02Å; W308-G311 PolarHBondContact O-N 3.35Å; W308-S312 PolarHBondContact O-N 2.88Å
309I89.6Confident86.2Confident42 Ų4263.5 Ų63.522%0.21535%0.351CS..Hα-helixtrans-61.8-46.2175.7-65169.5000110.3P70 E302 F305 S306 G311 S312 I313P70-I309 HydrophobicContact CG-CG2 4.3Å; E302-I309 HydrophobicContact CB-CD1 4.19Å; E302-I309 HydrophobicContact CG-CD1 3.86Å; F305-I309 WeakPolarHBondContact O-CG1 3.36Å; F305-I309 PolarHBondContact O-N 3.38Å; S306-I309 PolarHBondContact O-N 3.03Å; I309-G311 VanDerWaalsContact C-N 3.33Å; I309-G311 PolarHBondContact O-N 2.76Å; I309-S312 WeakPolarHBondContact O-CB 3.36Å; I309-S312 PolarHBondContact O-N 2.69Å; I309-S312 VanDerWaalsContact O-N 3.17Å; I309-I313 HydrophobicContact CG2-CD1 4.11Å; I309-I313 WeakPolarHBondContact O-CG1 3.44Å; I309-I313 PolarHBondContact O-N 3.12Å
310G88.7Confident86.2Confident0 Ų061.2 Ų61.20%034%0.335CS..Hα-helixtrans-59.9-41.5175.400000113L66 S306 I313 L314L66-G310 WeakPolarHBondContact O-CA 3.5Å; S306-G310 PolarHBondContact O-N 2.73Å; G310-I313 PolarHBondContact O-N 3.11Å; G310-L314 VanDerWaalsContact O-CB 3.31Å; G310-L314 WeakPolarHBondContact O-CB 3.22Å; G310-L314 PolarHBondContact O-N 3.33Å
311G90.4Very high86.1Confident6 Ų663.8 Ų63.86%0.06234%0.341CS..Hα-helixtrans-61.7-41.817300000112.7A307 W308 I309 L314 A315A307-G311 PolarHBondContact O-N 3.11Å; W308-G311 PolarHBondContact O-N 3.35Å; I309-G311 VanDerWaalsContact C-N 3.33Å; I309-G311 PolarHBondContact O-N 2.76Å; G311-L314 PolarHBondContact O-N 3.25Å; G311-A315 VanDerWaalsContact O-CB 3.24Å; G311-A315 WeakPolarHBondContact O-CB 3.38Å; G311-A315 PolarHBondContact O-N 3.25Å
312S90.4Very high86Confident58 Ų5867.4 Ų67.441%0.40635%0.352SS..Hα-helixtrans-63.4-41.2176.1-173.30000112.4W308 I309 S316W308-S312 PolarHBondContact O-N 2.88Å; I309-S312 WeakPolarHBondContact O-CB 3.36Å; I309-S312 PolarHBondContact O-N 2.69Å; I309-S312 VanDerWaalsContact O-N 3.17Å; S312-S316 WeakPolarHBondContact O-CB 3.25Å; S312-S316 PolarHBondContact O-N 3Å; S312-S316 PolarHBondContact O-OG 3.46Å
313I88.5Confident86.2Confident50 Ų5067.8 Ų67.826%0.25636%0.355SS..Hα-helixtrans-65.7-50.5176.1-63.1167.8000109.4Y69 P70 F73 I309 G310 A315 S316Y69-I313 HydrophobicContact CD1-CB 4.23Å; Y69-I313 HydrophobicContact CD1-CG2 4.03Å; Y69-I313 HydrophobicContact CE1-CB 4.43Å; Y69-I313 HydrophobicContact CE1-CG2 3.89Å; P70-I313 HydrophobicContact CB-CD1 3.96Å; P70-I313 HydrophobicContact CG-CD1 4.01Å; F73-I313 HydrophobicContact CG-CG2 4.49Å; I309-I313 HydrophobicContact CG2-CD1 4.11Å; I309-I313 WeakPolarHBondContact O-CG1 3.44Å; I309-I313 PolarHBondContact O-N 3.12Å; G310-I313 PolarHBondContact O-N 3.11Å; I313-A315 PolarHBondContact O-N 3.26Å; I313-S316 PolarHBondContact O-N 3.48Å; I313-S316 VanDerWaalsContact O-N 3.07Å
314L87.3Confident86.5Confident9 Ų967.9 Ų67.95%0.04736%0.355CS..Hα-helixtrans-58-45.4-179.1-178.763.5000112.1L30 L66 Y69 G310 G311 S316 L317 F320L30-L314 HydrophobicContact CD1-CD2 4.09Å; L30-L314 HydrophobicContact CD1-CG 4.35Å; L66-L314 HydrophobicContact CD2-CD2 3.7Å; Y69-L314 HydrophobicContact CD1-CB 4.18Å; Y69-L314 HydrophobicContact CD2-CD1 4.44Å; Y69-L314 HydrophobicContact CE1-CB 3.95Å; Y69-L314 HydrophobicContact CE1-CD1 4.05Å; Y69-L314 HydrophobicContact CE2-CD1 3.67Å; Y69-L314 VanDerWaalsContact CZ-CD1 3.44Å; Y69-L314 WeakPolarHBondContact OH-CD1 3.48Å; G310-L314 VanDerWaalsContact O-CB 3.31Å; G310-L314 WeakPolarHBondContact O-CB 3.22Å; G310-L314 PolarHBondContact O-N 3.33Å; G311-L314 PolarHBondContact O-N 3.25Å; L314-S316 PolarHBondContact O-N 3.3Å; L314-L317 PolarHBondContact O-N 3.26Å; L314-F320 HydrophobicContact CD1-CB 4.39Å; L314-F320 HydrophobicContact CD1-CD1 4.18Å; L314-F320 HydrophobicContact CD1-CD2 3.41Å; L314-F320 VanDerWaalsContact CD1-CD2 3.41Å; L314-F320 HydrophobicContact CD1-CE1 4.34Å; L314-F320 HydrophobicContact CD1-CE2 3.59Å; L314-F320 HydrophobicContact CD1-CG 3.72Å; L314-F320 HydrophobicContact CD1-CZ 4.05Å; L314-F320 HydrophobicContact CD2-CD2 4.49Å; L314-F320 HydrophobicContact CD2-CE1 4.1Å; L314-F320 HydrophobicContact CD2-CE2 3.87Å; L314-F320 HydrophobicContact CD2-CZ 3.64Å; L314-F320 HydrophobicContact CG-CD1 3.87Å; L314-F320 HydrophobicContact CG-CD2 3.92Å; L314-F320 HydrophobicContact CG-CE1 3.76Å; L314-F320 HydrophobicContact CG-CE2 3.79Å; L314-F320 HydrophobicContact CG-CG 3.95Å; L314-F320 HydrophobicContact CG-CZ 3.7Å; L314-F320 WeakPolarHBondContact O-CB 3.06Å; L314-F320 WeakPolarHBondContact O-CD1 3.36Å
315A88.3Confident86.8Confident41 Ų4159.9 Ų59.934%0.33933%0.325SS..Hα-helixtrans-65.8-23.5178.700000113.4L30 G311 I313 L317 W324L30-A315 HydrophobicContact CD1-CB 4.24Å; G311-A315 VanDerWaalsContact O-CB 3.24Å; G311-A315 WeakPolarHBondContact O-CB 3.38Å; G311-A315 PolarHBondContact O-N 3.25Å; I313-A315 PolarHBondContact O-N 3.26Å; A315-L317 VanDerWaalsContact C-N 3.35Å; A315-W324 HydrophobicContact CB-CZ2 4.28Å
316S87.9Confident87.1Confident96 Ų9657.2 Ų57.267%0.67132%0.318SS*.THydrogen-bonded Turntrans-84.6-7.9-179.9-57.60000113.4S312 I313 L314S312-S316 WeakPolarHBondContact O-CB 3.25Å; S312-S316 PolarHBondContact O-N 3Å; S312-S316 PolarHBondContact O-OG 3.46Å; I313-S316 PolarHBondContact O-N 3.48Å; I313-S316 VanDerWaalsContact O-N 3.07Å; L314-S316 PolarHBondContact O-N 3.3Å
317L85.6Confident87.3Confident39 Ų3960 Ų6020%0.20433%0.329CS..  trans-84.2122.4-178.7-65.3172.5000111.1Y69 F73 L314 A315 T319 F320Y69-L317 HydrophobicContact CE1-CD1 3.93Å; Y69-L317 WeakPolarHBondContact OH-CD1 3.28Å; F73-L317 HydrophobicContact CE2-CD2 4Å; L314-L317 PolarHBondContact O-N 3.26Å; A315-L317 VanDerWaalsContact C-N 3.35Å; L317-T319 VanDerWaalsContact C-N 3.26Å; L317-T319 PolarHBondContact O-N 2.94Å; L317-F320 HydrophobicContact CB-CB 4.1Å; L317-F320 VanDerWaalsContact O-CB 3.3Å; L317-F320 WeakPolarHBondContact O-CB 3.49Å; L317-F320 PolarHBondContact O-N 2.68Å
318G80.4Confident87.4Confident51 Ų5165.1 Ų65.153%0.52635%0.35SS..G310 helixtrans-59.7-33.8178.700000113.7F320 Q321G318-F320 PolarHBondContact O-N 2.89Å; G318-Q321 WeakPolarHBondContact O-CB 3.25Å; G318-Q321 WeakPolarHBondContact O-CG 3.47Å; G318-Q321 PolarHBondContact O-N 3.14Å
319T79.2Confident87.4Confident116 Ų11658.9 Ų58.971%0.71233%0.329SS*.G310 helixtrans-66.1-25175.449.90000112.9L317 Q321L317-T319 VanDerWaalsContact C-N 3.26Å; L317-T319 PolarHBondContact O-N 2.94Å; T319-Q321 VanDerWaalsContact C-N 3.29Å; T319-Q321 PolarHBondContact O-N 3.25Å
320F81.3Confident87.5Confident20 Ų2057.9 Ų57.99%0.08832%0.323CS..G310 helixtrans-77.2-16.2179.8-170.1-110.7000112.7L30 F59 L314 L317 G318 Q322 M323 W324L30-F320 HydrophobicContact CD1-CE1 4.02Å; F59-F320 HydrophobicContact CB-CE1 4.46Å; F59-F320 HydrophobicContact CB-CZ 4.46Å; F59-F320 HydrophobicContact CD1-CE1 4.17Å; F59-F320 AromaticContact CD1-CZ 3.49Å; F59-F320 HydrophobicContact CD1-CZ 3.49Å; F59-F320 VanDerWaalsContact CD1-CZ 3.49Å; F59-F320 AromaticContact CD2-CZ 3.86Å; F59-F320 HydrophobicContact CD2-CZ 3.86Å; F59-F320 HydrophobicContact CE1-CE2 4.15Å; F59-F320 AromaticContact CE1-CZ 3.52Å; F59-F320 HydrophobicContact CE1-CZ 3.52Å; F59-F320 HydrophobicContact CE2-CE2 4.22Å; F59-F320 AromaticContact CE2-CZ 3.88Å; F59-F320 HydrophobicContact CE2-CZ 3.88Å; F59-F320 HydrophobicContact CG-CE1 4.11Å; F59-F320 AromaticContact CG-CZ 3.65Å; F59-F320 HydrophobicContact CG-CZ 3.65Å; F59-F320 AromaticContact CZ-CE2 3.98Å; F59-F320 HydrophobicContact CZ-CE2 3.98Å; F59-F320 AromaticContact CZ-CZ 3.71Å; F59-F320 HydrophobicContact CZ-CZ 3.71Å; L314-F320 HydrophobicContact CD1-CB 4.39Å; L314-F320 HydrophobicContact CD1-CD1 4.18Å; L314-F320 HydrophobicContact CD1-CD2 3.41Å; L314-F320 VanDerWaalsContact CD1-CD2 3.41Å; L314-F320 HydrophobicContact CD1-CE1 4.34Å; L314-F320 HydrophobicContact CD1-CE2 3.59Å; L314-F320 HydrophobicContact CD1-CG 3.72Å; L314-F320 HydrophobicContact CD1-CZ 4.05Å; L314-F320 HydrophobicContact CD2-CD2 4.49Å; L314-F320 HydrophobicContact CD2-CE1 4.1Å; L314-F320 HydrophobicContact CD2-CE2 3.87Å; L314-F320 HydrophobicContact CD2-CZ 3.64Å; L314-F320 HydrophobicContact CG-CD1 3.87Å; L314-F320 HydrophobicContact CG-CD2 3.92Å; L314-F320 HydrophobicContact CG-CE1 3.76Å; L314-F320 HydrophobicContact CG-CE2 3.79Å; L314-F320 HydrophobicContact CG-CG 3.95Å; L314-F320 HydrophobicContact CG-CZ 3.7Å; L314-F320 WeakPolarHBondContact O-CB 3.06Å; L314-F320 WeakPolarHBondContact O-CD1 3.36Å; L317-F320 HydrophobicContact CB-CB 4.1Å; L317-F320 VanDerWaalsContact O-CB 3.3Å; L317-F320 WeakPolarHBondContact O-CB 3.49Å; L317-F320 PolarHBondContact O-N 2.68Å; G318-F320 PolarHBondContact O-N 2.89Å; F320-Q322 PolarHBondContact O-N 3.26Å; F320-Q322 VanDerWaalsContact O-N 3.09Å; F320-M323 HydrophobicContact CD2-CB 3.89Å; F320-M323 HydrophobicContact CD2-CG 3.87Å; F320-M323 HydrophobicContact CE2-CB 3.7Å; F320-M323 HydrophobicContact CE2-CG 3.98Å; F320-M323 HydrophobicContact CZ-CB 4.21Å; F320-M323 WeakPolarHBondContact O-CB 3.26Å; F320-M323 PolarHBondContact O-N 3.25Å; F320-W324 AromaticContact CD1-CE2 3.98Å; F320-W324 HydrophobicContact CD1-CZ2 4.25Å; F320-W324 AromaticContact CD1-NE1 3.39Å; F320-W324 AromaticContact CE1-CE2 3.86Å; F320-W324 HydrophobicContact CE1-CZ2 4.06Å; F320-W324 AromaticContact CE1-NE1 3.65Å; F320-W324 PolarHBondContact O-NE1 3.35Å
321Q79.7Confident87.7Confident141 Ų14164.1 Ų64.166%0.65935%0.351SS*.G310 helixtrans-58.1-26.6179.7-67.4-176.40.200113.4G318 T319 M323 W324G318-Q321 WeakPolarHBondContact O-CB 3.25Å; G318-Q321 WeakPolarHBondContact O-CG 3.47Å; G318-Q321 PolarHBondContact O-N 3.14Å; T319-Q321 VanDerWaalsContact C-N 3.29Å; T319-Q321 PolarHBondContact O-N 3.25Å; Q321-M323 VanDerWaalsContact C-N 3.31Å; Q321-M323 PolarHBondContact O-N 3.06Å; Q321-W324 VanDerWaalsContact CA-CD1 3.43Å
322Q82Confident87.7Confident168 Ų16870.8 Ų70.879%0.78538%0.381SS*.G310 helixtrans-75.6-18.8178.1-61.2179.42.400113.4F320F320-Q322 PolarHBondContact O-N 3.26Å; F320-Q322 VanDerWaalsContact O-N 3.09Å
323M85.8Confident87.5Confident84 Ų8470 Ų7041%0.41438%0.382SS..G310 helixtrans-83.6-15.6-177-64.1-61.7-68.700113.1F59 F320 Q321F59-M323 HydrophobicContact CD2-CB 4.3Å; F59-M323 VanDerWaalsContact CD2-O 3.3Å; F59-M323 WeakPolarHBondContact CD2-O 3.13Å; F59-M323 HydrophobicContact CE2-CB 3.92Å; F59-M323 WeakPolarHBondContact CE2-O 3.46Å; F320-M323 HydrophobicContact CD2-CB 3.89Å; F320-M323 HydrophobicContact CD2-CG 3.87Å; F320-M323 HydrophobicContact CE2-CB 3.7Å; F320-M323 HydrophobicContact CE2-CG 3.98Å; F320-M323 HydrophobicContact CZ-CB 4.21Å; F320-M323 WeakPolarHBondContact O-CB 3.26Å; F320-M323 PolarHBondContact O-N 3.25Å; Q321-M323 VanDerWaalsContact C-N 3.31Å; Q321-M323 PolarHBondContact O-N 3.06Å
324W90.6Very high87.5Confident26 Ų2669 Ų6910%0.09838%0.384CS..SBendtrans-67146.2-179-6576.2000111.4P28 V29 L30 A57 F59 A315 F320 Q321 K341P28-W324 HydrophobicContact CB-CD2 4.49Å; P28-W324 HydrophobicContact CB-CE3 3.94Å; P28-W324 HydrophobicContact CB-CH2 4.05Å; P28-W324 HydrophobicContact CB-CZ3 3.7Å; V29-W324 WeakPolarHBondContact O-CZ3 3.28Å; L30-W324 HydrophobicContact CB-CH2 3.69Å; L30-W324 HydrophobicContact CB-CZ2 4.46Å; L30-W324 HydrophobicContact CB-CZ3 4.28Å; A57-W324 HydrophobicContact CB-CB 4.07Å; A57-W324 HydrophobicContact CB-CE3 4.18Å; F59-W324 HydrophobicContact CB-CD2 4.06Å; F59-W324 HydrophobicContact CB-CE3 3.74Å; F59-W324 HydrophobicContact CB-CZ3 4Å; A315-W324 HydrophobicContact CB-CZ2 4.28Å; F320-W324 AromaticContact CD1-CE2 3.98Å; F320-W324 HydrophobicContact CD1-CZ2 4.25Å; F320-W324 AromaticContact CD1-NE1 3.39Å; F320-W324 AromaticContact CE1-CE2 3.86Å; F320-W324 HydrophobicContact CE1-CZ2 4.06Å; F320-W324 AromaticContact CE1-NE1 3.65Å; F320-W324 PolarHBondContact O-NE1 3.35Å; Q321-W324 VanDerWaalsContact CA-CD1 3.43Å; W324-K341 PolarHBondContact O-NZ 2.68Å
325I92.6Very high87.5Confident1 Ų172.4 Ų72.41%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-82.6116.8167.6-59.3158.8000106F50 A57 F58 E329 C337 V338 K341F50-I325 HydrophobicContact CE2-CG2 3.97Å; F50-I325 HydrophobicContact CZ-CB 4.25Å; F50-I325 HydrophobicContact CZ-CG2 3.88Å; F50-I325 WeakPolarHBondContact CZ-O 3.43Å; A57-I325 CarbonylContact C-O 3.59Å; A57-I325 WeakPolarHBondContact CA-O 3.45Å; A57-I325 WeakPolarHBondContact CB-O 3.21Å; F58-I325 PolarHBondContact N-O 3.4Å; F58-I325 WeakPolarHBondContact O-CB 3.29Å; F58-I325 PolarHBondContact O-N 3.21Å; I325-E329 WeakPolarHBondContact CA-OE2 3.45Å; I325-E329 HydrophobicContact CG2-CB 4.46Å; I325-C337 HydrophobicContact CG2-CB 4.33Å; I325-C337 VanDerWaalsContact CG2-SG 3.54Å; I325-V338 HydrophobicContact CD1-CB 4.21Å; I325-V338 HydrophobicContact CD1-CG2 4.31Å; I325-K341 HydrophobicContact CD1-CB 4.31Å; I325-K341 HydrophobicContact CG1-CB 3.86Å; I325-K341 HydrophobicContact CG1-CD 3.81Å; I325-K341 HydrophobicContact CG1-CG 4.29Å
326S93.1Very high87.5Confident39 Ų3976.1 Ų76.127%0.27341%0.409SS..EExtended strand (participates in β ladder)trans-78.9158.9174.278.50000110.7Q328 E329 Y330S326-Q328 PolarHBondContact O-N 3.03Å; S326-Q328 PolarHBondContact OG-N 2.97Å; S326-E329 PolarHBondContact N-OE2 3.07Å; S326-E329 PolarHBondContact O-N 3.22Å; S326-E329 WeakPolarHBondContact OG-CG 3.42Å; S326-E329 PolarHBondContact OG-N 3.15Å; S326-E329 VanDerWaalsContact OG-N 3.13Å; S326-Y330 PolarHBondContact O-N 3.34Å
327K91.4Very high87.5Confident69 Ų6971.8 Ų71.830%0.338%0.379SS..Hα-helixtrans-56.7-39.3173.6-170.7179.7179.8-164.50112.5F50 N54 P56 Y330 E331F50-K327 HydrophobicContact CD1-CB 4.28Å; F50-K327 HydrophobicContact CD1-CG 4.25Å; F50-K327 HydrophobicContact CE1-CB 4.18Å; N54-K327 VanDerWaalsContact OD1-CE 3.32Å; N54-K327 WeakPolarHBondContact OD1-CE 3.18Å; N54-K327 PolarHBondContact OD1-NZ 2.89Å; P56-K327 PolarHBondContact O-N 3.25Å; K327-Y330 WeakPolarHBondContact O-CB 3.14Å; K327-Y330 PolarHBondContact O-N 3.04Å; K327-E331 WeakPolarHBondContact CE-OE1 3.33Å; K327-E331 IonicContact NZ-OE1 3.62Å; K327-E331 WeakPolarHBondContact O-CG 3.48Å; K327-E331 PolarHBondContact O-N 2.93Å
328Q91.5Very high87.6Confident124 Ų12470 Ų7058%0.57937%0.369SS*.Hα-helixtrans-62.1-44.8176.5-176.6-177.5-5.500111.8S326 Y330 E331 E332S326-Q328 PolarHBondContact O-N 3.03Å; S326-Q328 PolarHBondContact OG-N 2.97Å; Q328-Y330 PolarHBondContact O-N 3.45Å; Q328-E331 PolarHBondContact O-N 3.33Å; Q328-E332 WeakPolarHBondContact CG-OE1 3.41Å; Q328-E332 PolarHBondContact NE2-OE1 2.83Å; Q328-E332 WeakPolarHBondContact O-CG 3.16Å; Q328-E332 PolarHBondContact O-N 2.88Å
329E90.9Very high87.8Confident57 Ų5769.5 Ų69.527%0.26636%0.355SS..Hα-helixtrans-64.2-32.2177.3-71.7176.1142.100112.4I325 S326 G333 K341I325-E329 WeakPolarHBondContact CA-OE2 3.45Å; I325-E329 HydrophobicContact CG2-CB 4.46Å; S326-E329 PolarHBondContact N-OE2 3.07Å; S326-E329 PolarHBondContact O-N 3.22Å; S326-E329 WeakPolarHBondContact OG-CG 3.42Å; S326-E329 PolarHBondContact OG-N 3.15Å; S326-E329 VanDerWaalsContact OG-N 3.13Å; E329-G333 WeakPolarHBondContact O-CA 3.15Å; E329-G333 PolarHBondContact O-N 3.26Å; E329-K341 VanDerWaalsContact OE1-CE 3.28Å; E329-K341 WeakPolarHBondContact OE1-CE 3.37Å; E329-K341 IonicContact OE1-NZ 3.7Å; E329-K341 PolarHBondContact OE1-NZ 2.87Å; E329-K341 WeakPolarHBondContact OE2-CE 3.35Å; E329-K341 IonicContact OE2-NZ 3.92Å; E329-K341 PolarHBondContact OE2-NZ 2.97Å
330Y92.9Very high88Confident21 Ų2172.8 Ų72.88%0.08235%0.354CS..Hα-helixtrans-70.2-42173.7172.5-96.7000112T46 F50 E51 S326 K327 Q328 E332 G334 K335T46-Y330 HydrophobicContact CG2-CD2 3.88Å; T46-Y330 HydrophobicContact CG2-CE2 3.87Å; F50-Y330 HydrophobicContact CB-CD1 3.62Å; F50-Y330 HydrophobicContact CB-CD2 4.4Å; F50-Y330 HydrophobicContact CB-CE1 3.57Å; F50-Y330 HydrophobicContact CB-CE2 4.35Å; F50-Y330 HydrophobicContact CB-CG 4.04Å; F50-Y330 HydrophobicContact CD1-CD1 4.44Å; F50-Y330 HydrophobicContact CD1-CG 4.42Å; F50-Y330 HydrophobicContact CD2-CD1 4.02Å; F50-Y330 AromaticContact CD2-CD2 3.49Å; F50-Y330 HydrophobicContact CD2-CD2 3.49Å; F50-Y330 VanDerWaalsContact CD2-CD2 3.49Å; F50-Y330 HydrophobicContact CD2-CE1 4.45Å; F50-Y330 AromaticContact CD2-CE2 3.97Å; F50-Y330 HydrophobicContact CD2-CE2 3.97Å; F50-Y330 AromaticContact CD2-CG 3.51Å; F50-Y330 HydrophobicContact CD2-CG 3.51Å; F50-Y330 AromaticContact CE2-CD2 3.98Å; F50-Y330 HydrophobicContact CE2-CD2 3.98Å; F50-Y330 AromaticContact CE2-CG 3.98Å; F50-Y330 HydrophobicContact CE2-CG 3.98Å; F50-Y330 AromaticContact CG-CD1 3.8Å; F50-Y330 HydrophobicContact CG-CD1 3.8Å; F50-Y330 HydrophobicContact CG-CD2 4.15Å; F50-Y330 HydrophobicContact CG-CE1 4.22Å; F50-Y330 AromaticContact CG-CG 3.75Å; F50-Y330 HydrophobicContact CG-CG 3.75Å; E51-Y330 HydrophobicContact CG-CE1 4.15Å; E51-Y330 WeakPolarHBondContact CG-OH 3.47Å; E51-Y330 PolarHBondContact OE1-OH 3.21Å; S326-Y330 PolarHBondContact O-N 3.34Å; K327-Y330 WeakPolarHBondContact O-CB 3.14Å; K327-Y330 PolarHBondContact O-N 3.04Å; Q328-Y330 PolarHBondContact O-N 3.45Å; Y330-E332 VanDerWaalsContact C-N 3.29Å; Y330-E332 PolarHBondContact O-N 3.31Å; Y330-G334 WeakPolarHBondContact O-CA 3.27Å; Y330-G334 PolarHBondContact O-N 3.21Å; Y330-K335 HydrophobicContact CE2-CB 4.07Å
331E91.1Very high88.1Confident130 Ų13074.1 Ų74.161%0.60736%0.36SS*.Hα-helixtrans-63.7-35.1176.5-72.6173-179.200112K327 Q328K327-E331 WeakPolarHBondContact CE-OE1 3.33Å; K327-E331 IonicContact NZ-OE1 3.62Å; K327-E331 WeakPolarHBondContact O-CG 3.48Å; K327-E331 PolarHBondContact O-N 2.93Å; Q328-E331 PolarHBondContact O-N 3.33Å
332E91.4Very high88.1Confident146 Ų14667.4 Ų67.468%0.68233%0.329SS*.Hα-helixtrans-81-42.7177.8-68173.7-167.300113.2Q328 Y330Q328-E332 WeakPolarHBondContact CG-OE1 3.41Å; Q328-E332 PolarHBondContact NE2-OE1 2.83Å; Q328-E332 WeakPolarHBondContact O-CG 3.16Å; Q328-E332 PolarHBondContact O-N 2.88Å; Y330-E332 VanDerWaalsContact C-N 3.29Å; Y330-E332 PolarHBondContact O-N 3.31Å
333G85.1Confident87.3Confident42 Ų4263.4 Ų63.443%0.43332%0.317SS..Hα-helixtrans-98.1-9.6-172.500000115.1E329E329-G333 WeakPolarHBondContact O-CA 3.15Å; E329-G333 PolarHBondContact O-N 3.26Å
334G90.2Very high87.4Confident29 Ų2962.4 Ų62.430%0.29931%0.312SS..G310 helixtrans60.5-170.9-17200000113.4Y330 Q336 C337Y330-G334 WeakPolarHBondContact O-CA 3.27Å; Y330-G334 PolarHBondContact O-N 3.21Å; G334-Q336 PolarHBondContact O-N 3.22Å; G334-C337 WeakPolarHBondContact O-CB 3.31Å; G334-C337 PolarHBondContact O-N 3.05Å; G334-C337 VanDerWaalsContact O-N 3.15Å; G334-C337 PolarHBondContact O-SG 3.06Å
335K87.1Confident87.2Confident81 Ų8164.3 Ų64.335%0.35232%0.324SS..G310 helixtrans-60.2-17.9-176.563.4-166.7-178.8-177.30116.6E43 E47 Y330 C337 V338E43-K335 HydrophobicContact CB-CB 4.11Å; E43-K335 HydrophobicContact CB-CD 3.96Å; E43-K335 HydrophobicContact CB-CG 3.9Å; E43-K335 HydrophobicContact CG-CB 4.42Å; E43-K335 HydrophobicContact CG-CG 4.11Å; E47-K335 VanDerWaalsContact OE2-CD 3.29Å; E47-K335 WeakPolarHBondContact OE2-CD 3.44Å; E47-K335 IonicContact OE2-NZ 3.73Å; E47-K335 PolarHBondContact OE2-NZ 2.85Å; Y330-K335 HydrophobicContact CE2-CB 4.07Å; K335-C337 PolarHBondContact O-N 2.93Å; K335-V338 WeakPolarHBondContact O-CG1 3.26Å
336Q88.2Confident86.9Confident118 Ų11867.8 Ų67.855%0.55134%0.341SS*.G310 helixtrans-72.3-12.7179-51.4-169.411.700112.8G334 V338 D339G334-Q336 PolarHBondContact O-N 3.22Å; Q336-V338 PolarHBondContact O-N 2.73Å; Q336-V338 VanDerWaalsContact O-N 3.13Å; Q336-D339 PolarHBondContact O-N 3.44Å
337C87.9Confident86.6Confident6 Ų669.5 Ų69.54%0.04135%0.345CS..Hα-helixtrans-56.7-28.5177.465.80000112.7I325 G334 K335 D339 R340 K341I325-C337 HydrophobicContact CG2-CB 4.33Å; I325-C337 VanDerWaalsContact CG2-SG 3.54Å; G334-C337 WeakPolarHBondContact O-CB 3.31Å; G334-C337 PolarHBondContact O-N 3.05Å; G334-C337 VanDerWaalsContact O-N 3.15Å; G334-C337 PolarHBondContact O-SG 3.06Å; K335-C337 PolarHBondContact O-N 2.93Å; C337-D339 PolarHBondContact O-N 3.36Å; C337-R340 PolarHBondContact O-N 3.34Å; C337-K341 PolarHBondContact O-N 2.89Å
338V87.5Confident86.3Confident0 Ų069.6 Ų69.60%035%0.348CS..Hα-helixtrans-62.6-41.7179.773.30000112.2R42 E43 T46 L60 I325 K335 Q336 R340 C342R42-V338 HydrophobicContact CB-CG1 4.01Å; E43-V338 HydrophobicContact CG-CG1 4.44Å; T46-V338 HydrophobicContact CG2-CB 4.45Å; T46-V338 WeakPolarHBondContact OG1-CB 3.13Å; L60-V338 HydrophobicContact CB-CG2 4.02Å; L60-V338 HydrophobicContact CD2-CG2 3.95Å; I325-V338 HydrophobicContact CD1-CB 4.21Å; I325-V338 HydrophobicContact CD1-CG2 4.31Å; K335-V338 WeakPolarHBondContact O-CG1 3.26Å; Q336-V338 PolarHBondContact O-N 2.73Å; Q336-V338 VanDerWaalsContact O-N 3.13Å; V338-R340 VanDerWaalsContact C-N 3.28Å; V338-R340 PolarHBondContact O-N 3.24Å; V338-C342 HydrophobicContact CG2-CB 4.33Å; V338-C342 WeakPolarHBondContact O-CA 3.43Å; V338-C342 WeakPolarHBondContact O-CB 3.44Å; V338-C342 PolarHBondContact O-N 3.42Å
339D85Confident85.9Confident41 Ų4165.9 Ų65.922%0.21933%0.333CS..Hα-helixtrans-74.1-23.9-179-59.9-58.4000112.4R39 R42 Q336 C337R39-D339 WeakPolarHBondContact CD-OD2 3.26Å; R39-D339 VanDerWaalsContact CG-OD2 3.23Å; R39-D339 WeakPolarHBondContact CG-OD2 3.35Å; R39-D339 IonicContact CZ-OD2 2.73Å; R39-D339 IonicContact NE-OD2 2.69Å; R39-D339 PolarHBondContact NE-OD2 3.5Å; R39-D339 VanDerWaalsContact NE-OD2 3.17Å; R42-D339 IonicContact CZ-OD1 3.4Å; R42-D339 IonicContact NE-OD1 2.68Å; R42-D339 IonicContact NH1-OD1 2.65Å; R42-D339 PolarHBondContact NH1-OD1 3.15Å; Q336-D339 PolarHBondContact O-N 3.44Å; C337-D339 PolarHBondContact O-N 3.36Å
340R82.1Confident85.6Confident186 Ų18666.6 Ų66.670%0.70234%0.338SS*.Hα-helixtrans-80.1-43.5178.2-170.9-178.667.4-177-0.3112.2C337 V338C337-R340 PolarHBondContact O-N 3.34Å; V338-R340 VanDerWaalsContact C-N 3.28Å; V338-R340 PolarHBondContact O-N 3.24Å
341K83.2Confident85Confident47 Ų4770.1 Ų70.120%0.20436%0.357CS..Hα-helixtrans-89.3-26.8-177.7-85.3-154.9175.1-1760113.7W324 I325 E329 C337 P343W324-K341 PolarHBondContact O-NZ 2.68Å; I325-K341 HydrophobicContact CD1-CB 4.31Å; I325-K341 HydrophobicContact CG1-CB 3.86Å; I325-K341 HydrophobicContact CG1-CD 3.81Å; I325-K341 HydrophobicContact CG1-CG 4.29Å; E329-K341 VanDerWaalsContact OE1-CE 3.28Å; E329-K341 WeakPolarHBondContact OE1-CE 3.37Å; E329-K341 IonicContact OE1-NZ 3.7Å; E329-K341 PolarHBondContact OE1-NZ 2.87Å; E329-K341 WeakPolarHBondContact OE2-CE 3.35Å; E329-K341 IonicContact OE2-NZ 3.92Å; E329-K341 PolarHBondContact OE2-NZ 2.97Å; C337-K341 PolarHBondContact O-N 2.89Å; K341-P343 VanDerWaalsContact O-CD 3.29Å; K341-P343 WeakPolarHBondContact O-CD 3.34Å
342C81.6Confident84.5Confident1 Ų165.1 Ų65.11%0.00734%0.336CS..  trans-117.484.9-178.8-56.40000109.4R42 F59 L60 V338R42-C342 PolarHBondContact NH1-O 2.62Å; R42-C342 PolarHBondContact NH2-O 3.19Å; F59-C342 VanDerWaalsContact CD2-SG 3.51Å; F59-C342 WeakPolarHBondContact CE2-SG 3.4Å; L60-C342 HydrophobicContact CB-CB 4.31Å; L60-C342 PolarHBondContact N-SG 3.05Å; L60-C342 WeakPolarHBondContact O-CB 3.12Å; V338-C342 HydrophobicContact CG2-CB 4.33Å; V338-C342 WeakPolarHBondContact O-CA 3.43Å; V338-C342 WeakPolarHBondContact O-CB 3.44Å; V338-C342 PolarHBondContact O-N 3.42Å
343P64.9Low83.9Confident84 Ų8457.7 Ų57.755%0.54531%0.305SS..  trans-68.30177.625-31.5000114.1Y99 Q102 K341Y99-P343 HydrophobicContact CD1-CG 4.04Å; Y99-P343 HydrophobicContact CE1-CG 3.68Å; Q102-P343 PolarHBondContact NE2-OXT 2.94Å; K341-P343 VanDerWaalsContact O-CD 3.29Å; K341-P343 WeakPolarHBondContact O-CD 3.34Å

Retrieved 343 of 343 residues in 298.5 ms (Link to these results)

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