Z4YLZ9_MOUSE Loading...

Exonuclease 5

AlphaFold DB , UniProt , Accession Z4YLZ9, Species MOUSE (Mus musculus, Mouse), Gene Exo5, Length 159 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
1Y87.7Confident93.5Very high147 Ų14769.3 Ų69.358%0.57631%0.306SS*.  07.90-48.1-70.2000115.7Q3 V4 S5 L78 E92 V94Y1-Q3 VanDerWaalsContact C-N 3.35Å; Y1-Q3 PolarHBondContact O-N 3.06Å; Y1-V4 VanDerWaalsContact O-CG1 3.27Å; Y1-V4 WeakPolarHBondContact O-CG1 3.27Å; Y1-V4 PolarHBondContact O-N 3.01Å; Y1-S5 PolarHBondContact O-N 3.12Å; Y1-S5 PolarHBondContact O-OG 3.47Å; Y1-L78 HydrophobicContact CD1-CD1 3.77Å; Y1-L78 HydrophobicContact CE1-CD1 4.24Å; Y1-E92 HydrophobicContact CE1-CB 4.08Å; Y1-E92 HydrophobicContact CE1-CG 4.33Å; Y1-E92 PolarHBondContact OH-OE2 3.09Å; Y1-V94 HydrophobicContact CD1-CG2 3.32Å; Y1-V94 HydrophobicContact CD2-CG2 4.41Å; Y1-V94 HydrophobicContact CE1-CG2 3.84Å; Y1-V94 HydrophobicContact CG-CG1 4.08Å; Y1-V94 HydrophobicContact CG-CG2 3.62Å
2F92.6Very high93.5Very high50 Ų5066.3 Ų66.322%0.21930%0.296CS..Hα-helixtrans-55.8-43.3-175.8172.8-115.5000114.4V4 S5 L6 V101 K104 V105 Y108F2-V4 PolarHBondContact O-N 2.6Å; F2-S5 PolarHBondContact O-N 3.48Å; F2-L6 HydrophobicContact CE1-CD2 4.31Å; F2-L6 HydrophobicContact CZ-CD2 4.26Å; F2-L6 WeakPolarHBondContact O-CB 3.35Å; F2-L6 PolarHBondContact O-N 3.22Å; F2-V101 HydrophobicContact CE2-CG1 4.26Å; F2-K104 HydrophobicContact CB-CD 4.38Å; F2-K104 HydrophobicContact CD2-CB 3.58Å; F2-K104 HydrophobicContact CD2-CD 3.8Å; F2-K104 HydrophobicContact CD2-CG 4.31Å; F2-K104 HydrophobicContact CE2-CB 3.43Å; F2-K104 VanDerWaalsContact CE2-CB 3.43Å; F2-K104 HydrophobicContact CG-CB 4.49Å; F2-K104 HydrophobicContact CG-CD 4.36Å; F2-K104 HydrophobicContact CZ-CB 4.24Å; F2-V105 HydrophobicContact CE2-CG2 3.81Å; F2-V105 HydrophobicContact CZ-CB 4.48Å; F2-V105 HydrophobicContact CZ-CG2 3.59Å; F2-Y108 HydrophobicContact CD1-CD2 4.44Å; F2-Y108 HydrophobicContact CD1-CE2 4.05Å; F2-Y108 AromaticContact CE1-CD2 3.91Å; F2-Y108 HydrophobicContact CE1-CD2 3.91Å; F2-Y108 AromaticContact CE1-CE2 3.99Å; F2-Y108 HydrophobicContact CE1-CE2 3.99Å; F2-Y108 HydrophobicContact CG-CE2 4.45Å; F2-Y108 HydrophobicContact CZ-CD2 4.09Å; F2-Y108 HydrophobicContact CZ-CE2 4.34Å
3Q93.7Very high93.3Very high121 Ų12162.2 Ų62.257%0.56528%0.281SS*.Hα-helixtrans-59.7-47.7-177-177.4-178.5-2.800113.1Y1 S5 L6 Y7Y1-Q3 VanDerWaalsContact C-N 3.35Å; Y1-Q3 PolarHBondContact O-N 3.06Å; Q3-S5 VanDerWaalsContact C-N 3.34Å; Q3-S5 PolarHBondContact O-N 3.45Å; Q3-L6 WeakPolarHBondContact O-CB 3.28Å; Q3-L6 PolarHBondContact O-N 3.05Å; Q3-Y7 HydrophobicContact CG-CD2 4.31Å; Q3-Y7 HydrophobicContact CG-CE1 4.19Å; Q3-Y7 HydrophobicContact CG-CE2 3.68Å; Q3-Y7 PolarHBondContact NE2-OH 3.42Å; Q3-Y7 PolarHBondContact O-N 3.23Å
4V94.9Very high93.1Very high26 Ų2660.9 Ų60.916%0.15828%0.277CS..Hα-helixtrans-66.9-38.6-17966.90000111.4Y1 F2 L6 Y7 K8 L76 L78 V94Y1-V4 VanDerWaalsContact O-CG1 3.27Å; Y1-V4 WeakPolarHBondContact O-CG1 3.27Å; Y1-V4 PolarHBondContact O-N 3.01Å; F2-V4 PolarHBondContact O-N 2.6Å; V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 3.08Å; V4-Y7 PolarHBondContact O-N 3.42Å; V4-K8 PolarHBondContact O-N 3.24Å; V4-L76 HydrophobicContact CG1-CD1 4.36Å; V4-L76 HydrophobicContact CG2-CB 4.28Å; V4-L76 HydrophobicContact CG2-CD1 4.07Å; V4-L78 HydrophobicContact CB-CD2 3.9Å; V4-L78 HydrophobicContact CB-CG 4.43Å; V4-L78 HydrophobicContact CG1-CD1 4.01Å; V4-L78 HydrophobicContact CG1-CD2 4.23Å; V4-L78 HydrophobicContact CG1-CG 4.21Å; V4-L78 HydrophobicContact CG2-CD2 3.78Å; V4-L78 HydrophobicContact CG2-CG 4.36Å; V4-V94 HydrophobicContact CG1-CB 4.47Å; V4-V94 HydrophobicContact CG1-CG1 4.22Å; V4-V94 HydrophobicContact CG1-CG2 4.31Å
5S95.4Very high93Very high10 Ų1059.3 Ų59.37%0.0727%0.273CS..Hα-helixtrans-67.7-34175.1-48.80000111.8Y1 F2 Q3 K8 Y9 F96Y1-S5 PolarHBondContact O-N 3.12Å; Y1-S5 PolarHBondContact O-OG 3.47Å; F2-S5 PolarHBondContact O-N 3.48Å; Q3-S5 VanDerWaalsContact C-N 3.34Å; Q3-S5 PolarHBondContact O-N 3.45Å; S5-K8 WeakPolarHBondContact O-CB 3.33Å; S5-K8 PolarHBondContact O-N 2.89Å; S5-Y9 PolarHBondContact O-N 2.64Å; S5-F96 VanDerWaalsContact O-CE2 3.31Å; S5-F96 WeakPolarHBondContact O-CE2 3.29Å
6L95.7Very high92.8Very high44 Ų4462.4 Ų62.423%0.2329%0.288CS..Hα-helixtrans-65.3-43.7172.1178.661.9000111.8F2 Q3 V4 K8 Y9 I10 V101 V105F2-L6 HydrophobicContact CE1-CD2 4.31Å; F2-L6 HydrophobicContact CZ-CD2 4.26Å; F2-L6 WeakPolarHBondContact O-CB 3.35Å; F2-L6 PolarHBondContact O-N 3.22Å; Q3-L6 WeakPolarHBondContact O-CB 3.28Å; Q3-L6 PolarHBondContact O-N 3.05Å; V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 3.08Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 2.62Å; L6-Y9 WeakPolarHBondContact O-CB 3.14Å; L6-Y9 PolarHBondContact O-N 3.33Å; L6-Y9 VanDerWaalsContact O-N 3.16Å; L6-I10 HydrophobicContact CD1-CD1 4.21Å; L6-I10 HydrophobicContact CD1-CG1 4.43Å; L6-I10 HydrophobicContact CG-CD1 4.11Å; L6-I10 WeakPolarHBondContact O-CG1 3.15Å; L6-I10 PolarHBondContact O-N 3.43Å; L6-V101 HydrophobicContact CB-CG1 4.4Å; L6-V101 HydrophobicContact CD1-CG1 4.33Å; L6-V105 HydrophobicContact CD1-CG2 3.84Å
7Y94.5Very high92.5Very high137 Ų13760.8 Ų60.854%0.53729%0.292SS..Hα-helixtrans-60.8-41.7175.8-66.5-18.3000111.9Q3 V4 I10 F11Q3-Y7 HydrophobicContact CG-CD2 4.31Å; Q3-Y7 HydrophobicContact CG-CE1 4.19Å; Q3-Y7 HydrophobicContact CG-CE2 3.68Å; Q3-Y7 PolarHBondContact NE2-OH 3.42Å; Q3-Y7 PolarHBondContact O-N 3.23Å; V4-Y7 PolarHBondContact O-N 3.42Å; Y7-I10 PolarHBondContact O-N 2.92Å; Y7-F11 WeakPolarHBondContact O-CB 3.44Å; Y7-F11 PolarHBondContact O-N 3.01Å
8K95.1Very high92.4Very high17 Ų1765.9 Ų65.97%0.07431%0.313CS..Hα-helixtrans-56.2-54170.6-162.6-43.6-172.4109.90110.7V4 S5 L6 I10 F11 D12 I73 L76 F96V4-K8 PolarHBondContact O-N 3.24Å; S5-K8 WeakPolarHBondContact O-CB 3.33Å; S5-K8 PolarHBondContact O-N 2.89Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 2.62Å; K8-I10 PolarHBondContact O-N 3.46Å; K8-F11 WeakPolarHBondContact O-CA 3.27Å; K8-F11 WeakPolarHBondContact O-CB 3.13Å; K8-F11 PolarHBondContact O-N 2.87Å; K8-D12 HydrophobicContact CD-CB 4.38Å; K8-D12 VanDerWaalsContact CD-CG 3.45Å; K8-D12 WeakPolarHBondContact CD-OD1 3.39Å; K8-D12 WeakPolarHBondContact CE-OD1 3.37Å; K8-D12 WeakPolarHBondContact CE-OD2 2.9Å; K8-D12 VanDerWaalsContact NZ-CG 3.33Å; K8-D12 IonicContact NZ-OD1 2.63Å; K8-D12 PolarHBondContact NZ-OD1 3.05Å; K8-D12 IonicContact NZ-OD2 3.97Å; K8-D12 PolarHBondContact NZ-OD2 3.35Å; K8-D12 PolarHBondContact O-N 3.4Å; K8-I73 WeakPolarHBondContact CE-O 3.02Å; K8-I73 PolarHBondContact NZ-O 3.38Å; K8-L76 HydrophobicContact CB-CD1 3.82Å; K8-L76 HydrophobicContact CB-CD2 4.11Å; K8-L76 HydrophobicContact CG-CD1 4.11Å; K8-L76 HydrophobicContact CG-CD2 3.69Å; K8-L76 HydrophobicContact CG-CG 4.42Å; K8-F96 HydrophobicContact CB-CD2 3.8Å; K8-F96 HydrophobicContact CB-CE2 3.88Å; K8-F96 HydrophobicContact CD-CD2 4.32Å; K8-F96 HydrophobicContact CD-CE1 4.4Å; K8-F96 HydrophobicContact CD-CE2 4.19Å; K8-F96 HydrophobicContact CD-CG 4.49Å; K8-F96 HydrophobicContact CD-CZ 4.22Å; K8-F96 HydrophobicContact CG-CD2 3.79Å; K8-F96 HydrophobicContact CG-CE2 4.04Å; K8-F96 HydrophobicContact CG-CG 4.11Å; K8-F96 VanDerWaalsContact NZ-CD1 3.31Å; K8-F96 VanDerWaalsContact NZ-CE1 3.28Å
9Y94.8Very high92.2Very high76 Ų7663.8 Ų63.830%0.29831%0.305SS..Hα-helixtrans-54.7-42.1-177.9179.6-95.2000112.7S5 L6 A13 F96 E98 K102S5-Y9 PolarHBondContact O-N 2.64Å; L6-Y9 WeakPolarHBondContact O-CB 3.14Å; L6-Y9 PolarHBondContact O-N 3.33Å; L6-Y9 VanDerWaalsContact O-N 3.16Å; Y9-A13 PolarHBondContact O-N 2.9Å; Y9-A13 VanDerWaalsContact O-N 3.15Å; Y9-F96 HydrophobicContact CD2-CZ 4.44Å; Y9-E98 HydrophobicContact CD2-CG 3.84Å; Y9-E98 HydrophobicContact CE2-CG 3.77Å; Y9-K102 HydrophobicContact CE2-CD 4.47Å; Y9-K102 VanDerWaalsContact CE2-CE 3.45Å; Y9-K102 HydrophobicContact CE2-CG 4.41Å; Y9-K102 VanDerWaalsContact CZ-CE 3.48Å; Y9-K102 WeakPolarHBondContact OH-CE 3.47Å; Y9-K102 PolarHBondContact OH-NZ 3.42Å
10I92.3Very high91.8Very high72 Ų7263.8 Ų63.837%0.36931%0.309SS..Hα-helixtrans-68.3-41.7176.4-62.6167.2000110.8L6 Y7 K8 A13 M14L6-I10 HydrophobicContact CD1-CD1 4.21Å; L6-I10 HydrophobicContact CD1-CG1 4.43Å; L6-I10 HydrophobicContact CG-CD1 4.11Å; L6-I10 WeakPolarHBondContact O-CG1 3.15Å; L6-I10 PolarHBondContact O-N 3.43Å; Y7-I10 PolarHBondContact O-N 2.92Å; K8-I10 PolarHBondContact O-N 3.46Å; I10-A13 WeakPolarHBondContact O-CB 2.94Å; I10-A13 PolarHBondContact O-N 2.74Å; I10-M14 HydrophobicContact CG2-CE 4.22Å; I10-M14 WeakPolarHBondContact O-CG 3.31Å; I10-M14 PolarHBondContact O-N 2.79Å
11F92.1Very high91.4Very high62 Ų6262.6 Ų62.627%0.27231%0.306SS..Hα-helixtrans-57.1-49.6176.1176.8-96.7000112.2Y7 K8 A13 M14 V15 L65 L70 I73Y7-F11 WeakPolarHBondContact O-CB 3.44Å; Y7-F11 PolarHBondContact O-N 3.01Å; K8-F11 WeakPolarHBondContact O-CA 3.27Å; K8-F11 WeakPolarHBondContact O-CB 3.13Å; K8-F11 PolarHBondContact O-N 2.87Å; F11-A13 VanDerWaalsContact C-N 3.27Å; F11-A13 PolarHBondContact O-N 3.14Å; F11-M14 HydrophobicContact CB-CE 4.3Å; F11-M14 HydrophobicContact CD2-CE 4.31Å; F11-M14 WeakPolarHBondContact O-CA 3.22Å; F11-M14 WeakPolarHBondContact O-CB 3.5Å; F11-M14 PolarHBondContact O-N 3.46Å; F11-V15 HydrophobicContact CD1-CG2 4.11Å; F11-V15 HydrophobicContact CE1-CG2 3.66Å; F11-V15 HydrophobicContact CE2-CG2 4.16Å; F11-V15 HydrophobicContact CZ-CG2 3.69Å; F11-V15 WeakPolarHBondContact O-CG2 3.44Å; F11-V15 PolarHBondContact O-N 3.36Å; F11-L65 HydrophobicContact CE2-CD2 3.7Å; F11-L65 HydrophobicContact CZ-CD2 4.15Å; F11-L70 HydrophobicContact CE1-CD1 4.3Å; F11-L70 HydrophobicContact CZ-CD1 3.82Å; F11-I73 HydrophobicContact CE1-CD1 4.12Å
12D92.7Very high91.3Very high34 Ų3458.9 Ų58.918%0.18231%0.306CS..Hα-helixtrans-59-40.7175.7-83.813.2000112K8 M14 V15 Q16K8-D12 HydrophobicContact CD-CB 4.38Å; K8-D12 VanDerWaalsContact CD-CG 3.45Å; K8-D12 WeakPolarHBondContact CD-OD1 3.39Å; K8-D12 WeakPolarHBondContact CE-OD1 3.37Å; K8-D12 WeakPolarHBondContact CE-OD2 2.9Å; K8-D12 VanDerWaalsContact NZ-CG 3.33Å; K8-D12 IonicContact NZ-OD1 2.63Å; K8-D12 PolarHBondContact NZ-OD1 3.05Å; K8-D12 IonicContact NZ-OD2 3.97Å; K8-D12 PolarHBondContact NZ-OD2 3.35Å; K8-D12 PolarHBondContact O-N 3.4Å; D12-M14 VanDerWaalsContact C-N 3.28Å; D12-M14 PolarHBondContact O-N 3.26Å; D12-V15 PolarHBondContact O-N 2.86Å; D12-Q16 VanDerWaalsContact O-CB 3.27Å; D12-Q16 WeakPolarHBondContact O-CB 3.31Å; D12-Q16 WeakPolarHBondContact O-CG 3.5Å; D12-Q16 PolarHBondContact O-N 3.5Å
13A91.7Very high90.9Very high13 Ų1358.2 Ų58.211%0.10731%0.307CS..Hα-helixtrans-64.3-34.4176.400000111.9Y9 I10 F11 G17 K18 V19Y9-A13 PolarHBondContact O-N 2.9Å; Y9-A13 VanDerWaalsContact O-N 3.15Å; I10-A13 WeakPolarHBondContact O-CB 2.94Å; I10-A13 PolarHBondContact O-N 2.74Å; F11-A13 VanDerWaalsContact C-N 3.27Å; F11-A13 PolarHBondContact O-N 3.14Å; A13-G17 PolarHBondContact O-N 2.87Å; A13-K18 HydrophobicContact CB-CB 4.2Å; A13-K18 WeakPolarHBondContact O-CA 3.23Å; A13-K18 WeakPolarHBondContact O-CB 3.38Å; A13-K18 PolarHBondContact O-N 3.06Å; A13-V19 HydrophobicContact CB-CG2 3.79Å; A13-V19 PolarHBondContact O-N 2.85Å
14M90.5Very high90.4Very high44 Ų4455.2 Ų55.222%0.21730%0.295CS..Hα-helixtrans-68.4-46.5172.8-66.2-175.2-68.500111.8I10 F11 D12 Q16 G17 V19 F62 L65I10-M14 HydrophobicContact CG2-CE 4.22Å; I10-M14 WeakPolarHBondContact O-CG 3.31Å; I10-M14 PolarHBondContact O-N 2.79Å; F11-M14 HydrophobicContact CB-CE 4.3Å; F11-M14 HydrophobicContact CD2-CE 4.31Å; F11-M14 WeakPolarHBondContact O-CA 3.22Å; F11-M14 WeakPolarHBondContact O-CB 3.5Å; F11-M14 PolarHBondContact O-N 3.46Å; D12-M14 VanDerWaalsContact C-N 3.28Å; D12-M14 PolarHBondContact O-N 3.26Å; M14-Q16 VanDerWaalsContact C-N 3.3Å; M14-Q16 PolarHBondContact O-N 3.25Å; M14-G17 PolarHBondContact O-N 2.92Å; M14-V19 HydrophobicContact CG-CB 3.8Å; M14-V19 HydrophobicContact CG-CG1 4.09Å; M14-V19 HydrophobicContact CG-CG2 4.04Å; M14-F62 HydrophobicContact CB-CD1 4.4Å; M14-F62 HydrophobicContact CB-CE1 4.13Å; M14-F62 HydrophobicContact CG-CE1 3.81Å; M14-F62 HydrophobicContact SD-CE1 3.8Å; M14-L65 HydrophobicContact CB-CD1 3.92Å
15V91Very high90Very high37 Ų3757.6 Ų57.622%0.22431%0.306CS..Hα-helixtrans-60.9-40.1177.4174.10000111.4F11 D12 G17 L65 L70F11-V15 HydrophobicContact CD1-CG2 4.11Å; F11-V15 HydrophobicContact CE1-CG2 3.66Å; F11-V15 HydrophobicContact CE2-CG2 4.16Å; F11-V15 HydrophobicContact CZ-CG2 3.69Å; F11-V15 WeakPolarHBondContact O-CG2 3.44Å; F11-V15 PolarHBondContact O-N 3.36Å; D12-V15 PolarHBondContact O-N 2.86Å; V15-G17 PolarHBondContact O-N 3.41Å; V15-L65 HydrophobicContact CG2-CB 4.38Å; V15-L65 HydrophobicContact CG2-CD2 4.19Å; V15-L70 HydrophobicContact CG1-CD1 4.19Å; V15-L70 HydrophobicContact CG2-CD1 3.69Å
16Q89.9Confident89.7Confident109 Ų10963.9 Ų63.951%0.50933%0.334SS..THydrogen-bonded Turntrans-771.3177.5-66.1167.32000113.6D12 M14 K18D12-Q16 VanDerWaalsContact O-CB 3.27Å; D12-Q16 WeakPolarHBondContact O-CB 3.31Å; D12-Q16 WeakPolarHBondContact O-CG 3.5Å; D12-Q16 PolarHBondContact O-N 3.5Å; M14-Q16 VanDerWaalsContact C-N 3.3Å; M14-Q16 PolarHBondContact O-N 3.25Å; Q16-K18 HydrophobicContact CB-CD 4.3Å; Q16-K18 HydrophobicContact CB-CG 4.21Å; Q16-K18 PolarHBondContact O-N 2.87Å
17G88.7Confident89.3Confident35 Ų3568.6 Ų68.636%0.36136%0.355SS..THydrogen-bonded Turntrans68.414.3-178.600000114.9A13 M14 V15 V19A13-G17 PolarHBondContact O-N 2.87Å; M14-G17 PolarHBondContact O-N 2.92Å; V15-G17 PolarHBondContact O-N 3.41Å; G17-V19 VanDerWaalsContact C-N 3.32Å
18K90.1Very high89Confident152 Ų15265.2 Ų65.266%0.66135%0.348SS*.  trans-76.2-22.3176.5-65.9174.9176.9166.40112.3A13 Q16A13-K18 HydrophobicContact CB-CB 4.2Å; A13-K18 WeakPolarHBondContact O-CA 3.23Å; A13-K18 WeakPolarHBondContact O-CB 3.38Å; A13-K18 PolarHBondContact O-N 3.06Å; Q16-K18 HydrophobicContact CB-CD 4.3Å; Q16-K18 HydrophobicContact CB-CG 4.21Å; Q16-K18 PolarHBondContact O-N 2.87Å
19V88.6Confident88.7Confident27 Ų2773.4 Ų73.416%0.16438%0.384CS..SBendtrans-101.8124170.9-179.60000108.4A13 M14 G17 L24 F62A13-V19 HydrophobicContact CB-CG2 3.79Å; A13-V19 PolarHBondContact O-N 2.85Å; M14-V19 HydrophobicContact CG-CB 3.8Å; M14-V19 HydrophobicContact CG-CG1 4.09Å; M14-V19 HydrophobicContact CG-CG2 4.04Å; G17-V19 VanDerWaalsContact C-N 3.32Å; V19-L24 HydrophobicContact CG1-CD1 4.11Å; V19-L24 HydrophobicContact CG1-CD2 4.49Å; V19-L24 HydrophobicContact CG1-CG 4.05Å; V19-F62 HydrophobicContact CG1-CE1 4.39Å; V19-F62 HydrophobicContact CG1-CZ 4.14Å
20T84.9Confident88.4Confident62 Ų6274.4 Ų74.438%0.3839%0.394SS..  trans-118.2159.7179.563.70000110.7A22 S23 L24T20-A22 PolarHBondContact O-N 2.85Å; T20-S23 PolarHBondContact N-OG 3.43Å; T20-S23 PolarHBondContact O-N 3.49Å; T20-S23 PolarHBondContact O-OG 3.13Å; T20-S23 PolarHBondContact OG1-N 3.47Å; T20-L24 PolarHBondContact O-N 3.41Å
21P83.3Confident88.3Confident40 Ų4074.6 Ų74.626%0.2640%0.401SS..Hα-helixtrans-50.6-42.6170.5-27.734.5000112.5S23 L24 I25 M58 F62P21-S23 PolarHBondContact O-N 2.82Å; P21-L24 PolarHBondContact O-N 2.83Å; P21-I25 VanDerWaalsContact O-CG1 3.27Å; P21-I25 WeakPolarHBondContact O-CG1 3.46Å; P21-I25 PolarHBondContact O-N 2.93Å; P21-M58 HydrophobicContact CB-CE 4.41Å; P21-F62 HydrophobicContact CG-CD2 3.68Å; P21-F62 HydrophobicContact CG-CE2 3.83Å
22A84.9Confident88.1Confident68 Ų6872.2 Ų72.256%0.56239%0.391SS*.Hα-helixtrans-58.6-43.5177.900000112.7T20 L24 I25 H26T20-A22 PolarHBondContact O-N 2.85Å; A22-L24 VanDerWaalsContact C-N 3.33Å; A22-L24 PolarHBondContact O-N 3.05Å; A22-I25 PolarHBondContact O-N 2.9Å; A22-H26 WeakPolarHBondContact O-CB 3.48Å; A22-H26 PolarHBondContact O-N 3.37Å
23S84.9Confident88.1Confident36 Ų3676.8 Ų76.825%0.25242%0.415SS..Hα-helixtrans-63-39.5177.669.90000112.2T20 P21 H26 H27T20-S23 PolarHBondContact N-OG 3.43Å; T20-S23 PolarHBondContact O-N 3.49Å; T20-S23 PolarHBondContact O-OG 3.13Å; T20-S23 PolarHBondContact OG1-N 3.47Å; P21-S23 PolarHBondContact O-N 2.82Å; S23-H26 PolarHBondContact O-N 3.4Å; S23-H27 PolarHBondContact O-CD2 2.74Å; S23-H27 PolarHBondContact O-N 2.9Å
24L83.2Confident88.2Confident59 Ų5983 Ų8331%0.30944%0.44SS..Hα-helixtrans-71.3-40.3178.1-75.3171.9000112.5V19 T20 P21 A22 H26 H27 T28 M58 F62V19-L24 HydrophobicContact CG1-CD1 4.11Å; V19-L24 HydrophobicContact CG1-CD2 4.49Å; V19-L24 HydrophobicContact CG1-CG 4.05Å; T20-L24 PolarHBondContact O-N 3.41Å; P21-L24 PolarHBondContact O-N 2.83Å; A22-L24 VanDerWaalsContact C-N 3.33Å; A22-L24 PolarHBondContact O-N 3.05Å; L24-H26 VanDerWaalsContact C-N 3.27Å; L24-H26 PolarHBondContact O-N 3.07Å; L24-H27 PolarHBondContact O-N 3.42Å; L24-T28 WeakPolarHBondContact O-CB 3.21Å; L24-T28 VanDerWaalsContact O-CG2 3.31Å; L24-T28 WeakPolarHBondContact O-CG2 3.5Å; L24-T28 PolarHBondContact O-N 2.87Å; L24-T28 PolarHBondContact O-OG1 2.8Å; L24-M58 HydrophobicContact CB-CE 3.85Å; L24-M58 HydrophobicContact CD1-CE 3.33Å; L24-M58 HydrophobicContact CG-CE 4.24Å; L24-F62 HydrophobicContact CD1-CE2 4.12Å; L24-F62 HydrophobicContact CD1-CZ 3.6Å
25I86.5Confident88.4Confident76 Ų7686.4 Ų86.439%0.3947%0.465SS..Hα-helixtrans-58-46.2174.6-65.9164.5000109.7P21 A22 H27 K29 L32P21-I25 VanDerWaalsContact O-CG1 3.27Å; P21-I25 WeakPolarHBondContact O-CG1 3.46Å; P21-I25 PolarHBondContact O-N 2.93Å; A22-I25 PolarHBondContact O-N 2.9Å; I25-H27 VanDerWaalsContact C-N 3.32Å; I25-H27 PolarHBondContact O-N 3.37Å; I25-K29 WeakPolarHBondContact O-CA 3.44Å; I25-K29 PolarHBondContact O-N 3.07Å; I25-L32 HydrophobicContact CD1-CD1 3.62Å; I25-L32 HydrophobicContact CD1-CG 4.22Å; I25-L32 HydrophobicContact CG1-CD1 3.41Å; I25-L32 VanDerWaalsContact CG1-CD1 3.41Å; I25-L32 HydrophobicContact CG1-CG 3.81Å
26H89Confident88.6Confident141 Ų14186.1 Ų86.165%0.65346%0.462SS*.Hα-helixtrans-57.6-43.7-179.5-178.744.2000112.5A22 S23 L24A22-H26 WeakPolarHBondContact O-CB 3.48Å; A22-H26 PolarHBondContact O-N 3.37Å; S23-H26 PolarHBondContact O-N 3.4Å; L24-H26 VanDerWaalsContact C-N 3.27Å; L24-H26 PolarHBondContact O-N 3.07Å
27H86.9Confident88.9Confident144 Ų14482.5 Ų82.567%0.66745%0.454SS*.Hα-helixtrans-84.9-36.1-176.9-68.5-59000114.3S23 L24 I25S23-H27 PolarHBondContact O-CD2 2.74Å; S23-H27 PolarHBondContact O-N 2.9Å; L24-H27 PolarHBondContact O-N 3.42Å; I25-H27 VanDerWaalsContact C-N 3.32Å; I25-H27 PolarHBondContact O-N 3.37Å
28T87.8Confident89.3Confident66 Ų6686.1 Ų86.141%0.40547%0.472SS..Hα-helixtrans-88.7-21-174.563.80000113.5L24 L30L24-T28 WeakPolarHBondContact O-CB 3.21Å; L24-T28 VanDerWaalsContact O-CG2 3.31Å; L24-T28 WeakPolarHBondContact O-CG2 3.5Å; L24-T28 PolarHBondContact O-N 2.87Å; L24-T28 PolarHBondContact O-OG1 2.8Å; T28-L30 HydrophobicContact CG2-CD1 4.46Å; T28-L30 PolarHBondContact O-N 2.93Å; T28-L30 PolarHBondContact OG1-N 2.84Å
29K88.3Confident89.6Confident189 Ų18982.5 Ų82.582%0.82247%0.465SS*.  trans55.626.5-174.3-53-178.7-179.1179.40113.2I25I25-K29 WeakPolarHBondContact O-CA 3.44Å; I25-K29 PolarHBondContact O-N 3.07Å
30L88.9Confident89.9Confident97 Ų9784.3 Ų84.351%0.50848%0.476SS..  trans-80147.7176.3-66.1173.5000111.2T28 L32 L54T28-L30 HydrophobicContact CG2-CD1 4.46Å; T28-L30 PolarHBondContact O-N 2.93Å; T28-L30 PolarHBondContact OG1-N 2.84Å; L30-L32 HydrophobicContact CB-CD2 4.1Å; L30-L54 HydrophobicContact CD1-CD2 4.45Å
31C89.8Confident90.4Very high76 Ų7683.3 Ų83.351%0.51447%0.468SS..  trans-93104.5169.5-179.30000108.7K34C31-K34 HydrophobicContact CB-CD 4.41Å; C31-K34 HydrophobicContact CB-CG 4.27Å
32L89.5Confident91Very high11 Ų1189.2 Ų89.26%0.05849%0.485CS..THydrogen-bonded Turntrans-76.6-24.7-171.4-60.8-168000113.8I25 L30 K34 S53 L54 G55 M58I25-L32 HydrophobicContact CD1-CD1 3.62Å; I25-L32 HydrophobicContact CD1-CG 4.22Å; I25-L32 HydrophobicContact CG1-CD1 3.41Å; I25-L32 VanDerWaalsContact CG1-CD1 3.41Å; I25-L32 HydrophobicContact CG1-CG 3.81Å; L30-L32 HydrophobicContact CB-CD2 4.1Å; L32-K34 PolarHBondContact O-N 2.63Å; L32-S53 VanDerWaalsContact O-CB 3.23Å; L32-S53 WeakPolarHBondContact O-CB 3.34Å; L32-S53 PolarHBondContact O-OG 2.82Å; L32-L54 HydrophobicContact CD2-CB 4.37Å; L32-L54 HydrophobicContact CD2-CD2 3.66Å; L32-L54 HydrophobicContact CD2-CG 3.95Å; L32-L54 PolarHBondContact O-N 3.49Å; L32-L54 VanDerWaalsContact O-N 3.09Å; L32-G55 PolarHBondContact O-N 3.35Å; L32-G55 VanDerWaalsContact O-N 3.13Å; L32-M58 HydrophobicContact CD1-CE 4.11Å; L32-M58 HydrophobicContact CD1-SD 3.65Å; L32-M58 HydrophobicContact CD2-SD 3.79Å; L32-M58 HydrophobicContact CG-SD 4.39Å
33D91.4Very high91.5Very high131 Ų13192.4 Ų92.470%0.70149%0.488SS*.THydrogen-bonded Turntrans-80.5-2.8-174.9-51.8-52.5000113.5
34K94.3Very high91.9Very high143 Ų14391.4 Ų91.462%0.62248%0.482SS*.SBendtrans-62.7133.4176.7-76.4-170.4177.7-177.50110C31 L32 L36C31-K34 HydrophobicContact CB-CD 4.41Å; C31-K34 HydrophobicContact CB-CG 4.27Å; L32-K34 PolarHBondContact O-N 2.63Å; K34-L36 PolarHBondContact O-N 3.2Å
35P95.6Very high92.4Very high116 Ų11697.4 Ų97.475%0.75350%0.501SS*.BIsolated β-bridgetrans-57.4133.9176.2-25.534.1000111.8K52P35-K52 CarbonylContact C-O 3.14Å; P35-K52 WeakPolarHBondContact CA-O 3.47Å
36L95.3Very high92.9Very high30 Ų30100.6 Ų100.616%0.15751%0.514CS..PPolyproline II helixtrans-66.4151.2172-64170.1000110.5K34 V40 L41 V51 K52 L57K34-L36 PolarHBondContact O-N 3.2Å; L36-V40 HydrophobicContact CB-CB 4.29Å; L36-V40 HydrophobicContact CB-CG1 4.27Å; L36-V40 HydrophobicContact CD1-CG1 4.06Å; L36-V40 HydrophobicContact CD2-CG1 4.41Å; L36-V40 HydrophobicContact CG-CG1 4.49Å; L36-L41 HydrophobicContact CB-CD2 3.89Å; L36-L41 HydrophobicContact CB-CG 4.05Å; L36-L41 HydrophobicContact CD1-CD2 4.3Å; L36-L41 WeakPolarHBondContact O-CD1 3.35Å; L36-V51 HydrophobicContact CD1-CB 4.49Å; L36-V51 HydrophobicContact CD1-CG2 3.93Å; L36-K52 PolarHBondContact N-O 3.3Å; L36-L57 HydrophobicContact CD1-CD1 3.56Å; L36-L57 HydrophobicContact CD1-CG 4.22Å; L36-L57 HydrophobicContact CD2-CD1 4.28Å
37G96Very high92.9Very high33 Ų3396.7 Ų96.734%0.3451%0.512SS..PPolyproline II helixtrans-61.9151176.800000112.5S39 V40 L41G37-S39 PolarHBondContact O-N 3.31Å; G37-S39 VanDerWaalsContact O-N 3.13Å; G37-V40 WeakPolarHBondContact O-CB 3.42Å; G37-V40 PolarHBondContact O-N 3.18Å; G37-L41 PolarHBondContact O-N 3.02Å
38P96.2Very high93.3Very high112 Ų11293.3 Ų93.373%0.72752%0.516SS*.Hα-helixtrans-55.8-33.5-177.9-26.834.4000114.5R42P38-R42 WeakPolarHBondContact O-CB 3.38Å; P38-R42 PolarHBondContact O-N 2.94Å
39S96.4Very high93.5Very high75 Ų7592.3 Ų92.352%0.52451%0.509SS..Hα-helixtrans-63.2-44.4175.950.80000112.2G37 R42 H43G37-S39 PolarHBondContact O-N 3.31Å; G37-S39 VanDerWaalsContact O-N 3.13Å; S39-R42 PolarHBondContact O-N 3.22Å; S39-H43 PolarHBondContact O-N 3.34Å
40V95.1Very high93.7Very high66 Ų6688.7 Ų88.740%0.451%0.508SS..Hα-helixtrans-67.3-45.7178.4-177.20000110.3L36 G37 R42 H43 A44L36-V40 HydrophobicContact CB-CB 4.29Å; L36-V40 HydrophobicContact CB-CG1 4.27Å; L36-V40 HydrophobicContact CD1-CG1 4.06Å; L36-V40 HydrophobicContact CD2-CG1 4.41Å; L36-V40 HydrophobicContact CG-CG1 4.49Å; G37-V40 WeakPolarHBondContact O-CB 3.42Å; G37-V40 PolarHBondContact O-N 3.18Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.22Å; V40-H43 PolarHBondContact O-N 3.15Å; V40-A44 WeakPolarHBondContact O-CB 3.21Å; V40-A44 PolarHBondContact O-N 3.26Å
41L95.4Very high94Very high40 Ų4084.7 Ų84.721%0.20949%0.487CS..Hα-helixtrans-59.3-42.4176.8-66.6175.1000112.1L36 G37 R45 V51L36-L41 HydrophobicContact CB-CD2 3.89Å; L36-L41 HydrophobicContact CB-CG 4.05Å; L36-L41 HydrophobicContact CD1-CD2 4.3Å; L36-L41 WeakPolarHBondContact O-CD1 3.35Å; G37-L41 PolarHBondContact O-N 3.02Å; L41-R45 WeakPolarHBondContact O-CG 3.41Å; L41-R45 PolarHBondContact O-N 2.97Å; L41-R45 VanDerWaalsContact O-N 3.07Å; L41-V51 WeakPolarHBondContact CD2-O 3.46Å
42R96Very high94.3Very high165 Ų16588.7 Ų88.762%0.62350%0.496SS*.Hα-helixtrans-63.9-43.2176.5-178.6174.759.9-172.4-1.8111.4P38 S39 V40 R45 Q46P38-R42 WeakPolarHBondContact O-CB 3.38Å; P38-R42 PolarHBondContact O-N 2.94Å; S39-R42 PolarHBondContact O-N 3.22Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.22Å; R42-R45 PolarHBondContact O-N 3.45Å; R42-Q46 WeakPolarHBondContact O-CG 3.45Å; R42-Q46 PolarHBondContact O-N 3.21Å
43H95.4Very high94.5Very high135 Ų13588.4 Ų88.463%0.62550%0.495SS*.Hα-helixtrans-65.1-44.3178-172.472.5000111.9S39 V40 R45 Q46 G47S39-H43 PolarHBondContact O-N 3.34Å; V40-H43 PolarHBondContact O-N 3.15Å; H43-R45 VanDerWaalsContact C-N 3.32Å; H43-R45 PolarHBondContact O-N 3.19Å; H43-Q46 WeakPolarHBondContact O-CB 3.27Å; H43-Q46 PolarHBondContact O-N 3.4Å; H43-Q46 VanDerWaalsContact O-N 3.13Å; H43-G47 PolarHBondContact O-N 3.16Å
44A93.5Very high94.6Very high14 Ų1485.4 Ų85.412%0.11648%0.479CS..Hα-helixtrans-57.3-45.2175.700000111.7V40 Q46 G47 G48 V49 V51V40-A44 WeakPolarHBondContact O-CB 3.21Å; V40-A44 PolarHBondContact O-N 3.26Å; A44-Q46 VanDerWaalsContact C-N 3.35Å; A44-Q46 PolarHBondContact O-N 3.01Å; A44-G47 CarbonylContact O-C 3.6Å; A44-G47 WeakPolarHBondContact O-CA 3.47Å; A44-G47 PolarHBondContact O-N 2.9Å; A44-G47 VanDerWaalsContact O-N 3.08Å; A44-G48 PolarHBondContact O-N 3.45Å; A44-V49 CarbonylContact C-O 3.42Å; A44-V49 HydrophobicContact CB-CB 4.47Å; A44-V49 PolarHBondContact O-N 3.34Å; A44-V49 VanDerWaalsContact O-O 3.11Å; A44-V51 HydrophobicContact CB-CG2 3.68Å
45R94.1Very high94.5Very high186 Ų18679 Ų7970%0.70245%0.454SS*.Hα-helixtrans-61.6-39.8175.7-72.4175.8-172.6174.72.9113L41 R42 H43 G47 G48 V49L41-R45 WeakPolarHBondContact O-CG 3.41Å; L41-R45 PolarHBondContact O-N 2.97Å; L41-R45 VanDerWaalsContact O-N 3.07Å; R42-R45 PolarHBondContact O-N 3.45Å; H43-R45 VanDerWaalsContact C-N 3.32Å; H43-R45 PolarHBondContact O-N 3.19Å; R45-G47 PolarHBondContact O-N 2.99Å; R45-G48 PolarHBondContact O-N 2.98Å; R45-V49 PolarHBondContact N-O 3.07Å
46Q95.4Very high94.4Very high142 Ų14276 Ų7666%0.66443%0.431SS*.Hα-helixtrans-63.2-32.7174.9-72.8171-23.200112R42 H43 A44 G48R42-Q46 WeakPolarHBondContact O-CG 3.45Å; R42-Q46 PolarHBondContact O-N 3.21Å; H43-Q46 WeakPolarHBondContact O-CB 3.27Å; H43-Q46 PolarHBondContact O-N 3.4Å; H43-Q46 VanDerWaalsContact O-N 3.13Å; A44-Q46 VanDerWaalsContact C-N 3.35Å; A44-Q46 PolarHBondContact O-N 3.01Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 2.88Å
47G90.9Very high94.2Very high60 Ų6077 Ų7762%0.61944%0.437SS*.THydrogen-bonded Turntrans-81.46.4172.200000115H43 A44 R45 V49H43-G47 PolarHBondContact O-N 3.16Å; A44-G47 CarbonylContact O-C 3.6Å; A44-G47 WeakPolarHBondContact O-CA 3.47Å; A44-G47 PolarHBondContact O-N 2.9Å; A44-G47 VanDerWaalsContact O-N 3.08Å; R45-G47 PolarHBondContact O-N 2.99Å; G47-V49 VanDerWaalsContact C-N 3.31Å; G47-V49 PolarHBondContact O-N 2.91Å
48G93.5Very high93.9Very high72 Ų7276.8 Ų76.874%0.74243%0.427SS*.THydrogen-bonded Turntrans76.113.5-179.700000114.9A44 R45 Q46A44-G48 PolarHBondContact O-N 3.45Å; R45-G48 PolarHBondContact O-N 2.98Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 2.88Å
49V92.9Very high93.6Very high45 Ų4577.5 Ų77.527%0.27342%0.421SS..  trans-107.1128-177.2174.80000110.5A44 R45 G47 V51 L60A44-V49 CarbonylContact C-O 3.42Å; A44-V49 HydrophobicContact CB-CB 4.47Å; A44-V49 PolarHBondContact O-N 3.34Å; A44-V49 VanDerWaalsContact O-O 3.11Å; R45-V49 PolarHBondContact N-O 3.07Å; G47-V49 VanDerWaalsContact C-N 3.31Å; G47-V49 PolarHBondContact O-N 2.91Å; V49-V51 HydrophobicContact CG1-CG1 3.63Å; V49-V51 HydrophobicContact CG1-CG2 4.29Å; V49-L60 HydrophobicContact CB-CD2 4.38Å; V49-L60 HydrophobicContact CG1-CD2 3.38Å; V49-L60 HydrophobicContact CG2-CD2 4.06Å
50S92.8Very high93.3Very high114 Ų11477.7 Ų77.780%0.79742%0.415SS*.  trans-102103.5174.5-172.50000110.1
51V94.8Very high93.1Very high12 Ų1278.1 Ų78.17%0.07342%0.418CS..  trans-133.5152.4177.6-70.20000109.8L36 L41 A44 V49 D56 L57L36-V51 HydrophobicContact CD1-CB 4.49Å; L36-V51 HydrophobicContact CD1-CG2 3.93Å; L41-V51 WeakPolarHBondContact CD2-O 3.46Å; A44-V51 HydrophobicContact CB-CG2 3.68Å; V49-V51 HydrophobicContact CG1-CG1 3.63Å; V49-V51 HydrophobicContact CG1-CG2 4.29Å; V51-D56 HydrophobicContact CB-CB 3.93Å; V51-D56 HydrophobicContact CG1-CB 3.8Å; V51-L57 HydrophobicContact CB-CD2 4.3Å; V51-L57 HydrophobicContact CB-CG 4.11Å; V51-L57 HydrophobicContact CG1-CD2 3.9Å; V51-L57 HydrophobicContact CG1-CG 4Å; V51-L57 HydrophobicContact CG2-CD2 3.85Å; V51-L57 HydrophobicContact CG2-CG 3.93Å
52K95.6Very high92.9Very high160 Ų16077.2 Ų77.270%0.69641%0.412SS*.SBendtrans-116.9-31.9176.4-58.8174.8-175.2170.70111.7P35 L36 D56P35-K52 CarbonylContact C-O 3.14Å; P35-K52 WeakPolarHBondContact CA-O 3.47Å; L36-K52 PolarHBondContact N-O 3.3Å; K52-D56 WeakPolarHBondContact CA-OD2 3.31Å; K52-D56 WeakPolarHBondContact CB-OD2 3.45Å; K52-D56 PolarHBondContact N-OD2 3.07Å
53S95.2Very high92.5Very high6 Ų674 Ų744%0.04241%0.407CS..BIsolated β-bridgetrans-131.3168.4-169.484.70000112.1L32 G55 D56 L57L32-S53 VanDerWaalsContact O-CB 3.23Å; L32-S53 WeakPolarHBondContact O-CB 3.34Å; L32-S53 PolarHBondContact O-OG 2.82Å; S53-G55 PolarHBondContact OG-N 3.39Å; S53-G55 VanDerWaalsContact OG-N 3.14Å; S53-D56 PolarHBondContact N-OD2 3.22Å; S53-D56 PolarHBondContact O-N 3.33Å; S53-D56 VanDerWaalsContact OG-CG 3.26Å; S53-D56 PolarHBondContact OG-N 3.39Å; S53-D56 PolarHBondContact OG-OD1 3.48Å; S53-L57 PolarHBondContact O-N 2.73Å
54L92.3Very high92.3Very high67 Ų6770.9 Ų70.935%0.35140%0.4SS..Hα-helixtrans-66.3-31.4170.3178.760.3000110.7L30 L32 L57 M58L30-L54 HydrophobicContact CD1-CD2 4.45Å; L32-L54 HydrophobicContact CD2-CB 4.37Å; L32-L54 HydrophobicContact CD2-CD2 3.66Å; L32-L54 HydrophobicContact CD2-CG 3.95Å; L32-L54 PolarHBondContact O-N 3.49Å; L32-L54 VanDerWaalsContact O-N 3.09Å; L54-L57 PolarHBondContact O-N 2.74Å; L54-M58 HydrophobicContact CD1-CG 4.3Å; L54-M58 HydrophobicContact CD1-SD 4.49Å; L54-M58 HydrophobicContact CG-CG 4.35Å; L54-M58 HydrophobicContact CG-SD 4.04Å; L54-M58 VanDerWaalsContact O-CG 3.29Å; L54-M58 WeakPolarHBondContact O-CG 3.5Å; L54-M58 PolarHBondContact O-N 2.84Å
55G92.1Very high92.2Very high9 Ų971.4 Ų71.49%0.09340%0.401CS..Hα-helixtrans-57.4-50.417400000111.8L32 S53 L57 M58 E59L32-G55 PolarHBondContact O-N 3.35Å; L32-G55 VanDerWaalsContact O-N 3.13Å; S53-G55 PolarHBondContact OG-N 3.39Å; S53-G55 VanDerWaalsContact OG-N 3.14Å; G55-L57 VanDerWaalsContact C-N 3.27Å; G55-L57 PolarHBondContact O-N 3.29Å; G55-M58 PolarHBondContact O-N 2.96Å; G55-M58 VanDerWaalsContact O-N 3.07Å; G55-E59 PolarHBondContact O-N 3.39Å
56D92.8Very high91.8Very high54 Ų5465.9 Ų65.929%0.28939%0.388SS..Hα-helixtrans-59.1-40.7179.6-51.50.5000111.4V51 K52 S53 L60V51-D56 HydrophobicContact CB-CB 3.93Å; V51-D56 HydrophobicContact CG1-CB 3.8Å; K52-D56 WeakPolarHBondContact CA-OD2 3.31Å; K52-D56 WeakPolarHBondContact CB-OD2 3.45Å; K52-D56 PolarHBondContact N-OD2 3.07Å; S53-D56 PolarHBondContact N-OD2 3.22Å; S53-D56 PolarHBondContact O-N 3.33Å; S53-D56 VanDerWaalsContact OG-CG 3.26Å; S53-D56 PolarHBondContact OG-N 3.39Å; S53-D56 PolarHBondContact OG-OD1 3.48Å; D56-L60 WeakPolarHBondContact O-CB 3.36Å; D56-L60 PolarHBondContact O-N 2.97Å
57L91.3Very high91.4Very high51 Ų5165.6 Ų65.627%0.26739%0.39SS..Hα-helixtrans-64.5-44176.1-79.9169.2000111.6L36 V51 S53 L54 G55 L60 V61L36-L57 HydrophobicContact CD1-CD1 3.56Å; L36-L57 HydrophobicContact CD1-CG 4.22Å; L36-L57 HydrophobicContact CD2-CD1 4.28Å; V51-L57 HydrophobicContact CB-CD2 4.3Å; V51-L57 HydrophobicContact CB-CG 4.11Å; V51-L57 HydrophobicContact CG1-CD2 3.9Å; V51-L57 HydrophobicContact CG1-CG 4Å; V51-L57 HydrophobicContact CG2-CD2 3.85Å; V51-L57 HydrophobicContact CG2-CG 3.93Å; S53-L57 PolarHBondContact O-N 2.73Å; L54-L57 PolarHBondContact O-N 2.74Å; G55-L57 VanDerWaalsContact C-N 3.27Å; G55-L57 PolarHBondContact O-N 3.29Å; L57-L60 PolarHBondContact O-N 3.47Å; L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 VanDerWaalsContact O-CG2 3.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.33Å; L57-V61 PolarHBondContact O-N 3.4Å
58M90.3Very high91.3Very high27 Ų2765.1 Ų65.113%0.13338%0.378CS..Hα-helixtrans-65.5-43.7179.8-72.617759.500111.8P21 L24 L32 L54 G55 L60 V61 F62P21-M58 HydrophobicContact CB-CE 4.41Å; L24-M58 HydrophobicContact CB-CE 3.85Å; L24-M58 HydrophobicContact CD1-CE 3.33Å; L24-M58 HydrophobicContact CG-CE 4.24Å; L32-M58 HydrophobicContact CD1-CE 4.11Å; L32-M58 HydrophobicContact CD1-SD 3.65Å; L32-M58 HydrophobicContact CD2-SD 3.79Å; L32-M58 HydrophobicContact CG-SD 4.39Å; L54-M58 HydrophobicContact CD1-CG 4.3Å; L54-M58 HydrophobicContact CD1-SD 4.49Å; L54-M58 HydrophobicContact CG-CG 4.35Å; L54-M58 HydrophobicContact CG-SD 4.04Å; L54-M58 VanDerWaalsContact O-CG 3.29Å; L54-M58 WeakPolarHBondContact O-CG 3.5Å; L54-M58 PolarHBondContact O-N 2.84Å; G55-M58 PolarHBondContact O-N 2.96Å; G55-M58 VanDerWaalsContact O-N 3.07Å; M58-L60 VanDerWaalsContact C-N 3.34Å; M58-L60 PolarHBondContact O-N 3.04Å; M58-V61 PolarHBondContact O-N 3.19Å; M58-F62 HydrophobicContact CB-CE2 4.29Å; M58-F62 HydrophobicContact CE-CE2 4Å; M58-F62 HydrophobicContact CE-CZ 4.48Å; M58-F62 WeakPolarHBondContact O-CD2 3.38Å; M58-F62 WeakPolarHBondContact O-CG 3.39Å; M58-F62 PolarHBondContact O-N 3.06Å
59E89.5Confident91Very high128 Ų12869.7 Ų69.760%0.59839%0.385SS*.Hα-helixtrans-59-46.7174.9-73.1-176.1178.200111.3G55 V61 F62 L63G55-E59 PolarHBondContact O-N 3.39Å; E59-V61 PolarHBondContact O-N 3Å; E59-F62 PolarHBondContact O-N 2.8Å; E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.14Å; E59-L63 PolarHBondContact O-N 3.38Å
60L91.4Very high90.6Very high78 Ų7871 Ų7141%0.40839%0.39SS..Hα-helixtrans-62-43.4178.1-175.866000112.1V49 D56 L57 M58 S64V49-L60 HydrophobicContact CB-CD2 4.38Å; V49-L60 HydrophobicContact CG1-CD2 3.38Å; V49-L60 HydrophobicContact CG2-CD2 4.06Å; D56-L60 WeakPolarHBondContact O-CB 3.36Å; D56-L60 PolarHBondContact O-N 2.97Å; L57-L60 PolarHBondContact O-N 3.47Å; M58-L60 VanDerWaalsContact C-N 3.34Å; M58-L60 PolarHBondContact O-N 3.04Å; L60-S64 VanDerWaalsContact O-CB 3.28Å; L60-S64 WeakPolarHBondContact O-CB 3.41Å; L60-S64 PolarHBondContact O-N 3.48Å
61V90.9Very high90.3Very high75 Ų7570.4 Ų70.446%0.45538%0.384SS..Hα-helixtrans-64-47.5178.3167.60000110.8L57 M58 E59 S64 L65L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 VanDerWaalsContact O-CG2 3.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.33Å; L57-V61 PolarHBondContact O-N 3.4Å; M58-V61 PolarHBondContact O-N 3.19Å; E59-V61 PolarHBondContact O-N 3Å; V61-S64 PolarHBondContact O-N 3.32Å; V61-L65 HydrophobicContact CG1-CD1 3.9Å; V61-L65 HydrophobicContact CG1-CG 4.35Å; V61-L65 WeakPolarHBondContact O-CB 3.27Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.27Å; V61-L65 PolarHBondContact O-N 3.38Å
62F89.4Confident89.9Confident21 Ų2174.7 Ų74.79%0.09242%0.42CS..Hα-helixtrans-66.9-39.3179.4-68.2-43.6000112.6M14 V19 P21 L24 M58 E59 S64 L65 T66M14-F62 HydrophobicContact CB-CD1 4.4Å; M14-F62 HydrophobicContact CB-CE1 4.13Å; M14-F62 HydrophobicContact CG-CE1 3.81Å; M14-F62 HydrophobicContact SD-CE1 3.8Å; V19-F62 HydrophobicContact CG1-CE1 4.39Å; V19-F62 HydrophobicContact CG1-CZ 4.14Å; P21-F62 HydrophobicContact CG-CD2 3.68Å; P21-F62 HydrophobicContact CG-CE2 3.83Å; L24-F62 HydrophobicContact CD1-CE2 4.12Å; L24-F62 HydrophobicContact CD1-CZ 3.6Å; M58-F62 HydrophobicContact CB-CE2 4.29Å; M58-F62 HydrophobicContact CE-CE2 4Å; M58-F62 HydrophobicContact CE-CZ 4.48Å; M58-F62 WeakPolarHBondContact O-CD2 3.38Å; M58-F62 WeakPolarHBondContact O-CG 3.39Å; M58-F62 PolarHBondContact O-N 3.06Å; E59-F62 PolarHBondContact O-N 2.8Å; F62-S64 VanDerWaalsContact C-N 3.32Å; F62-S64 PolarHBondContact O-N 2.97Å; F62-L65 HydrophobicContact CD1-CD1 4.44Å; F62-L65 PolarHBondContact O-N 3.42Å; F62-T66 WeakPolarHBondContact O-CB 3.47Å; F62-T66 VanDerWaalsContact O-CG2 3.31Å; F62-T66 WeakPolarHBondContact O-CG2 3.34Å; F62-T66 PolarHBondContact O-N 2.95Å; F62-T66 PolarHBondContact O-OG1 2.94Å
63L89.1Confident89.4Confident97 Ų9770.1 Ų70.151%0.50840%0.403SS..Hα-helixtrans-60.4-45.3172.6-175.564.2000110.7E59 L65 T66 L67E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.14Å; E59-L63 PolarHBondContact O-N 3.38Å; L63-L65 PolarHBondContact O-N 3.31Å; L63-T66 WeakPolarHBondContact CA-OG1 3.42Å; L63-T66 PolarHBondContact O-N 3.5Å; L63-T66 PolarHBondContact O-OG1 2.9Å; L63-T66 VanDerWaalsContact O-OG1 3.14Å; L63-L67 HydrophobicContact CD1-CD1 3.61Å; L63-L67 HydrophobicContact CD1-CG 3.99Å; L63-L67 HydrophobicContact CG-CD1 3.83Å; L63-L67 HydrophobicContact CG-CG 4.42Å; L63-L67 WeakPolarHBondContact O-CB 3.02Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.34Å; L63-L67 PolarHBondContact O-N 3.29Å
64S91.2Very high89Confident70 Ų7075 Ų7549%0.4943%0.428SS..Hα-helixtrans-62-44.3177.4-177.20000111.9L60 V61 F62 S68L60-S64 VanDerWaalsContact O-CB 3.28Å; L60-S64 WeakPolarHBondContact O-CB 3.41Å; L60-S64 PolarHBondContact O-N 3.48Å; V61-S64 PolarHBondContact O-N 3.32Å; F62-S64 VanDerWaalsContact C-N 3.32Å; F62-S64 PolarHBondContact O-N 2.97Å; S64-S68 WeakPolarHBondContact O-CB 3.41Å; S64-S68 PolarHBondContact O-N 3.47Å; S64-S68 VanDerWaalsContact O-N 3.12Å; S64-S68 PolarHBondContact O-OG 3.22Å
65L90.4Very high89Confident26 Ų2675.6 Ų75.614%0.13644%0.435CS..Hα-helixtrans-65.8-43.5179.4-71.7173.1000112.2F11 M14 V15 V61 F62 L63 S68 L70F11-L65 HydrophobicContact CE2-CD2 3.7Å; F11-L65 HydrophobicContact CZ-CD2 4.15Å; M14-L65 HydrophobicContact CB-CD1 3.92Å; V15-L65 HydrophobicContact CG2-CB 4.38Å; V15-L65 HydrophobicContact CG2-CD2 4.19Å; V61-L65 HydrophobicContact CG1-CD1 3.9Å; V61-L65 HydrophobicContact CG1-CG 4.35Å; V61-L65 WeakPolarHBondContact O-CB 3.27Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.27Å; V61-L65 PolarHBondContact O-N 3.38Å; F62-L65 HydrophobicContact CD1-CD1 4.44Å; F62-L65 PolarHBondContact O-N 3.42Å; L63-L65 PolarHBondContact O-N 3.31Å; L65-S68 PolarHBondContact O-N 3.03Å; L65-L70 HydrophobicContact CD2-CD1 4.45Å
66T85.3Confident89.2Confident69 Ų6976.1 Ų76.142%0.42344%0.436SS..Hα-helixtrans-73-27.9-177.950.60000113.3F62 L63F62-T66 WeakPolarHBondContact O-CB 3.47Å; F62-T66 VanDerWaalsContact O-CG2 3.31Å; F62-T66 WeakPolarHBondContact O-CG2 3.34Å; F62-T66 PolarHBondContact O-N 2.95Å; F62-T66 PolarHBondContact O-OG1 2.94Å; L63-T66 WeakPolarHBondContact CA-OG1 3.42Å; L63-T66 PolarHBondContact O-N 3.5Å; L63-T66 PolarHBondContact O-OG1 2.9Å; L63-T66 VanDerWaalsContact O-OG1 3.14Å
67L88.3Confident89.3Confident136 Ų13679.3 Ų79.371%0.71245%0.447SS*.Hα-helixtrans-90-8.2176-64.5-178.6000113.7L63L63-L67 HydrophobicContact CD1-CD1 3.61Å; L63-L67 HydrophobicContact CD1-CG 3.99Å; L63-L67 HydrophobicContact CG-CD1 3.83Å; L63-L67 HydrophobicContact CG-CG 4.42Å; L63-L67 WeakPolarHBondContact O-CB 3.02Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.34Å; L63-L67 PolarHBondContact O-N 3.29Å
68S88.1Confident89.4Confident51 Ų5179 Ų7936%0.35745%0.445SS..SBendtrans-80.6132.6177.8-66.20000110.6S64 L65 L70S64-S68 WeakPolarHBondContact O-CB 3.41Å; S64-S68 PolarHBondContact O-N 3.47Å; S64-S68 VanDerWaalsContact O-N 3.12Å; S64-S68 PolarHBondContact O-OG 3.22Å; L65-S68 PolarHBondContact O-N 3.03Å; S68-L70 VanDerWaalsContact C-N 3.32Å; S68-L70 PolarHBondContact O-N 2.66Å
69D86.7Confident89.7Confident167 Ų16781.9 Ų81.989%0.89346%0.458SS*.  trans-80.881.4169.7-170.220.9000109.5
70L86Confident90Very high72 Ų7281.8 Ų81.838%0.37745%0.453SS..PPolyproline II helixtrans-92130.5-177.1-66173.3000110.8F11 V15 L65 S68F11-L70 HydrophobicContact CE1-CD1 4.3Å; F11-L70 HydrophobicContact CZ-CD1 3.82Å; V15-L70 HydrophobicContact CG1-CD1 4.19Å; V15-L70 HydrophobicContact CG2-CD1 3.69Å; L65-L70 HydrophobicContact CD2-CD1 4.45Å; S68-L70 VanDerWaalsContact C-N 3.32Å; S68-L70 PolarHBondContact O-N 2.66Å
71P86.3Confident90.3Very high103 Ų10382.2 Ų82.267%0.66946%0.455SS*.PPolyproline II helixtrans-66.6156.7174.429.6-34.9000110.9I73P71-I73 PolarHBondContact O-N 3.17Å
72A84.8Confident90.6Very high101 Ų10182 Ų8284%0.83545%0.449SS*.PPolyproline II helixtrans-62.6122170.900000110.1
73I86.4Confident90.9Very high65 Ų6590.4 Ų90.433%0.33349%0.489SS..  trans-96.7111.4177.1-54.6173.6000108.1K8 F11 P71 L76K8-I73 WeakPolarHBondContact CE-O 3.02Å; K8-I73 PolarHBondContact NZ-O 3.38Å; F11-I73 HydrophobicContact CE1-CD1 4.12Å; P71-I73 PolarHBondContact O-N 3.17Å; I73-L76 HydrophobicContact CG2-CD2 3.87Å
74D86.9Confident91.3Very high108 Ų10894.2 Ų94.258%0.57850%0.504SS*.  trans-111.7-14.6178605.5000113.1F96D74-F96 WeakPolarHBondContact O-CB 3.45Å; D74-F96 PolarHBondContact O-N 2.86Å
75T92.8Very high91.6Very high79 Ų7994.8 Ų94.849%0.48550%0.504SS..EExtended strand (participates in β ladder)trans-123.3122.2-177.1-53.90000109.6I93T75-I93 HydrophobicContact CG2-CG2 3.53Å
76L94.8Very high91.9Very high21 Ų2197.1 Ų97.111%0.1153%0.528CS..EExtended strand (participates in β ladder)trans-105.9148.9-180-50.7172.4000109.4V4 K8 I73 V94 F96V4-L76 HydrophobicContact CG1-CD1 4.36Å; V4-L76 HydrophobicContact CG2-CB 4.28Å; V4-L76 HydrophobicContact CG2-CD1 4.07Å; K8-L76 HydrophobicContact CB-CD1 3.82Å; K8-L76 HydrophobicContact CB-CD2 4.11Å; K8-L76 HydrophobicContact CG-CD1 4.11Å; K8-L76 HydrophobicContact CG-CD2 3.69Å; K8-L76 HydrophobicContact CG-CG 4.42Å; I73-L76 HydrophobicContact CG2-CD2 3.87Å; L76-V94 HydrophobicContact CB-CB 4.22Å; L76-V94 PolarHBondContact N-O 3.39Å; L76-V94 PolarHBondContact O-N 3.33Å; L76-F96 HydrophobicContact CD1-CB 4.33Å; L76-F96 HydrophobicContact CD1-CD2 4.41Å; L76-F96 HydrophobicContact CG-CB 4.49Å
77K94.6Very high92.5Very high121 Ų12197.3 Ų97.353%0.52653%0.529SS..EExtended strand (participates in β ladder)trans-123.5126.7176.2-172.3178.174.8161.40109.6E79 T91 E92 I93K77-E79 HydrophobicContact CD-CG 4.42Å; K77-E79 WeakPolarHBondContact CE-OE1 3.49Å; K77-E79 HydrophobicContact CG-CG 4.39Å; K77-E79 IonicContact NZ-OE1 2.63Å; K77-E79 PolarHBondContact NZ-OE1 2.93Å; K77-T91 HydrophobicContact CD-CG2 3.68Å; K77-T91 HydrophobicContact CG-CG2 3.5Å; K77-E92 WeakPolarHBondContact CA-O 3.42Å; K77-I93 HydrophobicContact CB-CD1 4.15Å; K77-I93 HydrophobicContact CD-CD1 4.26Å; K77-I93 HydrophobicContact CG-CD1 3.88Å
78L94.9Very high92.9Very high44 Ų4495.7 Ų95.723%0.2352%0.52CS..EExtended strand (participates in β ladder)trans-101.8130.8170.4-70.8172.4000108.9Y1 V4 T91 E92 V94Y1-L78 HydrophobicContact CD1-CD1 3.77Å; Y1-L78 HydrophobicContact CE1-CD1 4.24Å; V4-L78 HydrophobicContact CB-CD2 3.9Å; V4-L78 HydrophobicContact CB-CG 4.43Å; V4-L78 HydrophobicContact CG1-CD1 4.01Å; V4-L78 HydrophobicContact CG1-CD2 4.23Å; V4-L78 HydrophobicContact CG1-CG 4.21Å; V4-L78 HydrophobicContact CG2-CD2 3.78Å; V4-L78 HydrophobicContact CG2-CG 4.36Å; L78-T91 CarbonylContact O-C 3.51Å; L78-T91 WeakPolarHBondContact O-CA 3.46Å; L78-T91 WeakPolarHBondContact O-CG2 3.42Å; L78-E92 HydrophobicContact CB-CB 4.23Å; L78-E92 PolarHBondContact N-O 3.14Å; L78-E92 PolarHBondContact O-N 3.13Å; L78-V94 HydrophobicContact CD1-CG2 4.11Å
79E95.9Very high93.4Very high87 Ų8798.9 Ų98.941%0.40753%0.532SS..EExtended strand (participates in β ladder)trans-118.5125173.4-69.8177.1148.900109K77 I81 T91K77-E79 HydrophobicContact CD-CG 4.42Å; K77-E79 WeakPolarHBondContact CE-OE1 3.49Å; K77-E79 HydrophobicContact CG-CG 4.39Å; K77-E79 IonicContact NZ-OE1 2.63Å; K77-E79 PolarHBondContact NZ-OE1 2.93Å; E79-I81 HydrophobicContact CB-CD1 4.48Å; E79-I81 HydrophobicContact CB-CG1 4.3Å; E79-T91 HydrophobicContact CG-CG2 4.22Å
80Y95.6Very high93.9Very high126 Ų12692.2 Ų92.249%0.49450%0.503SS..EExtended strand (participates in β ladder)trans-91.7116.1173.2-62.5-87.5000107.5L89 G90 E92Y80-L89 WeakPolarHBondContact O-CB 3.32Å; Y80-L89 PolarHBondContact O-N 3.25Å; Y80-G90 PolarHBondContact N-O 2.96Å; Y80-E92 HydrophobicContact CE2-CG 3.93Å
81I97.1Very high94.4Very high88 Ų8891.9 Ų91.945%0.45150%0.504SS..EExtended strand (participates in β ladder)trans-117.1131.3-174.1-57.8177.1000109.1E79 Q83 A86E79-I81 HydrophobicContact CB-CD1 4.48Å; E79-I81 HydrophobicContact CB-CG1 4.3Å; I81-Q83 PolarHBondContact O-N 3.21Å; I81-A86 HydrophobicContact CG2-CB 4.49Å
82H97.3Very high94.8Very high69 Ų6990.8 Ų90.832%0.31949%0.49SS..  trans-66.8125.2174.2-171.5-105.2000110.1E84 T85 A86 T87 L89H82-E84 VanDerWaalsContact C-N 3.34Å; H82-E84 IonicContact CE1-OE2 2.91Å; H82-E84 PolarHBondContact O-N 2.63Å; H82-T85 WeakPolarHBondContact CB-OG1 3.35Å; H82-T85 PolarHBondContact ND1-N 3.21Å; H82-T85 PolarHBondContact ND1-OG1 3.07Å; H82-A86 VanDerWaalsContact O-CA 3.27Å; H82-A86 WeakPolarHBondContact O-CA 3.27Å; H82-A86 PolarHBondContact O-N 3.23Å; H82-T87 WeakPolarHBondContact CB-OG1 3.4Å; H82-T87 PolarHBondContact N-O 3.48Å; H82-L89 HydrophobicContact CB-CD1 4.14Å; H82-L89 HydrophobicContact CB-CD2 4.04Å; H82-L89 HydrophobicContact CB-CG 4.09Å
83Q96.4Very high95.4Very high199 Ų19991.2 Ų91.293%0.9348%0.477SS*.THydrogen-bonded Turntrans-64.1-34.7-168.4-67.8-177.1-31.300113.8I81I81-Q83 PolarHBondContact O-N 3.21Å
84E97.3Very high95.8Very high176 Ų17688.5 Ų88.582%0.82246%0.464SS*.THydrogen-bonded Turntrans-86.2-40.4-175.7-61.2179.1171.100112.9H82H82-E84 VanDerWaalsContact C-N 3.34Å; H82-E84 IonicContact CE1-OE2 2.91Å; H82-E84 PolarHBondContact O-N 2.63Å
85T97.6Very high96.2Very high82 Ų8287.1 Ų87.150%0.50347%0.467SS..THydrogen-bonded Turntrans-100.3-7.5-171.357.30000112.8H82 T87H82-T85 WeakPolarHBondContact CB-OG1 3.35Å; H82-T85 PolarHBondContact ND1-N 3.21Å; H82-T85 PolarHBondContact ND1-OG1 3.07Å; T85-T87 PolarHBondContact O-N 2.86Å; T85-T87 VanDerWaalsContact O-N 3.07Å; T85-T87 PolarHBondContact OG1-OG1 3.41Å
86A96.4Very high96.3Very high76 Ų7684.8 Ų84.863%0.62845%0.45SS*.  trans54.620.3-171.600000114.1I81 H82I81-A86 HydrophobicContact CG2-CB 4.49Å; H82-A86 VanDerWaalsContact O-CA 3.27Å; H82-A86 WeakPolarHBondContact O-CA 3.27Å; H82-A86 PolarHBondContact O-N 3.23Å
87T97.8Very high96.3Very high72 Ų7288.4 Ų88.444%0.44247%0.467SS..  trans-80.5138.2179.453.60000111H82 T85 L89H82-T87 WeakPolarHBondContact CB-OG1 3.4Å; H82-T87 PolarHBondContact N-O 3.48Å; T85-T87 PolarHBondContact O-N 2.86Å; T85-T87 VanDerWaalsContact O-N 3.07Å; T85-T87 PolarHBondContact OG1-OG1 3.41Å; T87-L89 PolarHBondContact O-N 3.47Å
88I97.8Very high96.3Very high103 Ų10386.5 Ų86.553%0.52846%0.46SS..EExtended strand (participates in β ladder)trans-71.4122.4175.1-58172.6000109.1
89L97.6Very high96.3Very high118 Ų11892.4 Ų92.462%0.61848%0.484SS*.EExtended strand (participates in β ladder)trans-90-30.4176.6-60.3176.2000111.9Y80 H82 T87Y80-L89 WeakPolarHBondContact O-CB 3.32Å; Y80-L89 PolarHBondContact O-N 3.25Å; H82-L89 HydrophobicContact CB-CD1 4.14Å; H82-L89 HydrophobicContact CB-CD2 4.04Å; H82-L89 HydrophobicContact CB-CG 4.09Å; T87-L89 PolarHBondContact O-N 3.47Å
90G97.2Very high96.3Very high27 Ų2793.1 Ų93.128%0.27849%0.487SS..EExtended strand (participates in β ladder)trans-178.2164.8-178.900000112.6Y80Y80-G90 PolarHBondContact N-O 2.96Å
91T96.8Very high96.3Very high65 Ų6587.3 Ų87.340%0.39947%0.465SS..EExtended strand (participates in β ladder)trans-139.7137.4-179.7-55.40000109.9K77 L78 E79K77-T91 HydrophobicContact CD-CG2 3.68Å; K77-T91 HydrophobicContact CG-CG2 3.5Å; L78-T91 CarbonylContact O-C 3.51Å; L78-T91 WeakPolarHBondContact O-CA 3.46Å; L78-T91 WeakPolarHBondContact O-CG2 3.42Å; E79-T91 HydrophobicContact CG-CG2 4.22Å
92E95.8Very high96.3Very high79 Ų7987 Ų8737%0.36946%0.46SS..EExtended strand (participates in β ladder)trans-126.7135.1177.4-67.7-71142.300109.5Y1 K77 L78 Y80Y1-E92 HydrophobicContact CE1-CB 4.08Å; Y1-E92 HydrophobicContact CE1-CG 4.33Å; Y1-E92 PolarHBondContact OH-OE2 3.09Å; K77-E92 WeakPolarHBondContact CA-O 3.42Å; L78-E92 HydrophobicContact CB-CB 4.23Å; L78-E92 PolarHBondContact N-O 3.14Å; L78-E92 PolarHBondContact O-N 3.13Å; Y80-E92 HydrophobicContact CE2-CG 3.93Å
93I96.3Very high96.3Very high110 Ų11087 Ų8756%0.56447%0.468SS*.EExtended strand (participates in β ladder)trans-98.7130.9173.9-57.2-62.5000108.5T75 K77T75-I93 HydrophobicContact CG2-CG2 3.53Å; K77-I93 HydrophobicContact CB-CD1 4.15Å; K77-I93 HydrophobicContact CD-CD1 4.26Å; K77-I93 HydrophobicContact CG-CD1 3.88Å
94V95.2Very high96.2Very high9 Ų980.9 Ų80.96%0.05544%0.438CS..EExtended strand (participates in β ladder)trans-126.2117.9-175.9-179.20000108.8Y1 V4 L76 L78Y1-V94 HydrophobicContact CD1-CG2 3.32Å; Y1-V94 HydrophobicContact CD2-CG2 4.41Å; Y1-V94 HydrophobicContact CE1-CG2 3.84Å; Y1-V94 HydrophobicContact CG-CG1 4.08Å; Y1-V94 HydrophobicContact CG-CG2 3.62Å; V4-V94 HydrophobicContact CG1-CB 4.47Å; V4-V94 HydrophobicContact CG1-CG1 4.22Å; V4-V94 HydrophobicContact CG1-CG2 4.31Å; L76-V94 HydrophobicContact CB-CB 4.22Å; L76-V94 PolarHBondContact N-O 3.39Å; L76-V94 PolarHBondContact O-N 3.33Å; L78-V94 HydrophobicContact CD1-CG2 4.11Å
95A95.1Very high96.2Very high79 Ų7974.8 Ų74.865%0.65341%0.413SS*.EExtended strand (participates in β ladder)trans-70.7135.7169.200000110.1
96F95.3Very high96.2Very high30 Ų3077.4 Ų77.413%0.13242%0.419CS..  trans-90.6119.1175.5175.6-99.9000110.7S5 K8 Y9 D74 L76 E98 V101S5-F96 VanDerWaalsContact O-CE2 3.31Å; S5-F96 WeakPolarHBondContact O-CE2 3.29Å; K8-F96 HydrophobicContact CB-CD2 3.8Å; K8-F96 HydrophobicContact CB-CE2 3.88Å; K8-F96 HydrophobicContact CD-CD2 4.32Å; K8-F96 HydrophobicContact CD-CE1 4.4Å; K8-F96 HydrophobicContact CD-CE2 4.19Å; K8-F96 HydrophobicContact CD-CG 4.49Å; K8-F96 HydrophobicContact CD-CZ 4.22Å; K8-F96 HydrophobicContact CG-CD2 3.79Å; K8-F96 HydrophobicContact CG-CE2 4.04Å; K8-F96 HydrophobicContact CG-CG 4.11Å; K8-F96 VanDerWaalsContact NZ-CD1 3.31Å; K8-F96 VanDerWaalsContact NZ-CE1 3.28Å; Y9-F96 HydrophobicContact CD2-CZ 4.44Å; D74-F96 WeakPolarHBondContact O-CB 3.45Å; D74-F96 PolarHBondContact O-N 2.86Å; L76-F96 HydrophobicContact CD1-CB 4.33Å; L76-F96 HydrophobicContact CD1-CD2 4.41Å; L76-F96 HydrophobicContact CG-CB 4.49Å; F96-E98 HydrophobicContact CE1-CB 4.01Å; F96-E98 HydrophobicContact CZ-CB 4.06Å; F96-V101 HydrophobicContact CE2-CG2 4.14Å
97E94.8Very high96.2Very high97 Ų9777 Ų7745%0.45340%0.404SS..  trans-123.9108.4172.4178.151.4-111.700110.1K99 E100 V101E97-K99 VanDerWaalsContact C-N 3.29Å; E97-K99 PolarHBondContact O-N 3.25Å; E97-K99 PolarHBondContact OE1-N 3.42Å; E97-E100 HydrophobicContact CB-CB 4.14Å; E97-E100 HydrophobicContact CG-CB 3.99Å; E97-E100 PolarHBondContact O-N 2.86Å; E97-V101 WeakPolarHBondContact O-CG2 3.23Å; E97-V101 PolarHBondContact O-N 3.38Å
98E94.4Very high96Very high81 Ų8179 Ų7938%0.37941%0.405SS..Hα-helixtrans-60.1-39.6-174-177.5179.915300112.2Y9 F96 E100 V101 K102Y9-E98 HydrophobicContact CD2-CG 3.84Å; Y9-E98 HydrophobicContact CE2-CG 3.77Å; F96-E98 HydrophobicContact CE1-CB 4.01Å; F96-E98 HydrophobicContact CZ-CB 4.06Å; E98-E100 VanDerWaalsContact C-N 3.31Å; E98-E100 PolarHBondContact O-N 3.38Å; E98-V101 PolarHBondContact O-N 3.34Å; E98-K102 HydrophobicContact CG-CD 4.17Å; E98-K102 HydrophobicContact CG-CG 4.47Å; E98-K102 PolarHBondContact O-N 3.04Å; E98-K102 WeakPolarHBondContact OE1-CE 3.39Å; E98-K102 IonicContact OE1-NZ 2.63Å; E98-K102 PolarHBondContact OE1-NZ 3.13Å
99K95.9Very high95.9Very high168 Ų16877.6 Ų77.673%0.7340%0.4SS*.Hα-helixtrans-63.3-40.3-178.9-68.8-179.8-178.2173.60111.5E97 K102 S103E97-K99 VanDerWaalsContact C-N 3.29Å; E97-K99 PolarHBondContact O-N 3.25Å; E97-K99 PolarHBondContact OE1-N 3.42Å; K99-K102 PolarHBondContact O-N 3.47Å; K99-S103 WeakPolarHBondContact O-CB 3.5Å; K99-S103 PolarHBondContact O-N 2.92Å
100E95.1Very high95.9Very high101 Ų10173.1 Ų73.147%0.47238%0.381SS..Hα-helixtrans-65.6-44.8178.4-167.1-167147.800110.9E97 E98 S103 K104E97-E100 HydrophobicContact CB-CB 4.14Å; E97-E100 HydrophobicContact CG-CB 3.99Å; E97-E100 PolarHBondContact O-N 2.86Å; E98-E100 VanDerWaalsContact C-N 3.31Å; E98-E100 PolarHBondContact O-N 3.38Å; E100-S103 PolarHBondContact O-N 2.93Å; E100-K104 HydrophobicContact CG-CD 4.41Å; E100-K104 WeakPolarHBondContact O-CB 3.42Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 3.49Å; E100-K104 WeakPolarHBondContact OE1-CE 3.34Å; E100-K104 IonicContact OE1-NZ 2.64Å; E100-K104 PolarHBondContact OE1-NZ 3.46Å
101V95.9Very high95.9Very high5 Ų576.6 Ų76.63%0.0339%0.386CS..Hα-helixtrans-60.8-48.3177.3179.50000110.7F2 L6 F96 E97 E98 S103 K104 V105F2-V101 HydrophobicContact CE2-CG1 4.26Å; L6-V101 HydrophobicContact CB-CG1 4.4Å; L6-V101 HydrophobicContact CD1-CG1 4.33Å; F96-V101 HydrophobicContact CE2-CG2 4.14Å; E97-V101 WeakPolarHBondContact O-CG2 3.23Å; E97-V101 PolarHBondContact O-N 3.38Å; E98-V101 PolarHBondContact O-N 3.34Å; V101-S103 PolarHBondContact O-N 3.07Å; V101-K104 PolarHBondContact O-N 3.25Å; V101-V105 HydrophobicContact CG1-CG2 4.41Å; V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.46Å
102K96.6Very high95.9Very high80 Ų8083.3 Ų83.335%0.34840%0.404SS..Hα-helixtrans-60.6-45178.5-79.4-179.2167.4169.70112.3Y9 E98 K99 K104 V105 Q106Y9-K102 HydrophobicContact CE2-CD 4.47Å; Y9-K102 VanDerWaalsContact CE2-CE 3.45Å; Y9-K102 HydrophobicContact CE2-CG 4.41Å; Y9-K102 VanDerWaalsContact CZ-CE 3.48Å; Y9-K102 WeakPolarHBondContact OH-CE 3.47Å; Y9-K102 PolarHBondContact OH-NZ 3.42Å; E98-K102 HydrophobicContact CG-CD 4.17Å; E98-K102 HydrophobicContact CG-CG 4.47Å; E98-K102 PolarHBondContact O-N 3.04Å; E98-K102 WeakPolarHBondContact OE1-CE 3.39Å; E98-K102 IonicContact OE1-NZ 2.63Å; E98-K102 PolarHBondContact OE1-NZ 3.13Å; K99-K102 PolarHBondContact O-N 3.47Å; K102-K104 VanDerWaalsContact C-N 3.34Å; K102-K104 PolarHBondContact O-N 3.01Å; K102-V105 PolarHBondContact O-N 2.85Å; K102-Q106 WeakPolarHBondContact O-CB 3.33Å; K102-Q106 VanDerWaalsContact O-CG 3.31Å; K102-Q106 WeakPolarHBondContact O-CG 3.26Å; K102-Q106 PolarHBondContact O-N 2.94Å
103S96.9Very high95.9Very high70 Ų7085.3 Ų85.349%0.4942%0.415SS..Hα-helixtrans-59.4-45.3177.1-179.60000111.5K99 E100 V101 Q106 H107K99-S103 WeakPolarHBondContact O-CB 3.5Å; K99-S103 PolarHBondContact O-N 2.92Å; E100-S103 PolarHBondContact O-N 2.93Å; V101-S103 PolarHBondContact O-N 3.07Å; S103-Q106 PolarHBondContact O-N 3.45Å; S103-H107 WeakPolarHBondContact O-CB 3.08Å; S103-H107 PolarHBondContact O-N 3.42Å
104K95.6Very high96Very high70 Ų7083.1 Ų83.130%0.30442%0.42SS..Hα-helixtrans-64.4-44.1176.7-76.2177.7173.3171.60112.7F2 E100 V101 K102 Q106 H107 Y108F2-K104 HydrophobicContact CB-CD 4.38Å; F2-K104 HydrophobicContact CD2-CB 3.58Å; F2-K104 HydrophobicContact CD2-CD 3.8Å; F2-K104 HydrophobicContact CD2-CG 4.31Å; F2-K104 HydrophobicContact CE2-CB 3.43Å; F2-K104 VanDerWaalsContact CE2-CB 3.43Å; F2-K104 HydrophobicContact CG-CB 4.49Å; F2-K104 HydrophobicContact CG-CD 4.36Å; F2-K104 HydrophobicContact CZ-CB 4.24Å; E100-K104 HydrophobicContact CG-CD 4.41Å; E100-K104 WeakPolarHBondContact O-CB 3.42Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 3.49Å; E100-K104 WeakPolarHBondContact OE1-CE 3.34Å; E100-K104 IonicContact OE1-NZ 2.64Å; E100-K104 PolarHBondContact OE1-NZ 3.46Å; V101-K104 PolarHBondContact O-N 3.25Å; K102-K104 VanDerWaalsContact C-N 3.34Å; K102-K104 PolarHBondContact O-N 3.01Å; K104-Q106 PolarHBondContact O-N 3.24Å; K104-H107 PolarHBondContact O-N 3.39Å; K104-Y108 HydrophobicContact CB-CE2 4.25Å; K104-Y108 WeakPolarHBondContact O-CD2 3.31Å; K104-Y108 PolarHBondContact O-N 2.69Å
105V96.7Very high96.1Very high48 Ų4889.8 Ų89.829%0.29145%0.45SS..Hα-helixtrans-57.6-50.6174.7171.40000110.2F2 L6 V101 K102 H107 Y108 V109F2-V105 HydrophobicContact CE2-CG2 3.81Å; F2-V105 HydrophobicContact CZ-CB 4.48Å; F2-V105 HydrophobicContact CZ-CG2 3.59Å; L6-V105 HydrophobicContact CD1-CG2 3.84Å; V101-V105 HydrophobicContact CG1-CG2 4.41Å; V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.46Å; K102-V105 PolarHBondContact O-N 2.85Å; V105-H107 VanDerWaalsContact C-N 3.31Å; V105-H107 PolarHBondContact O-N 3.5Å; V105-Y108 PolarHBondContact O-N 3.07Å; V105-V109 HydrophobicContact CG1-CG2 4.04Å; V105-V109 WeakPolarHBondContact O-CB 3.5Å; V105-V109 VanDerWaalsContact O-CG2 3.26Å; V105-V109 WeakPolarHBondContact O-CG2 3.32Å; V105-V109 PolarHBondContact O-N 3.35Å
106Q96.9Very high96.1Very high138 Ų13888.7 Ų88.765%0.64543%0.429SS*.Hα-helixtrans-59-43.9179.5-73.8172.6-1600111.7K102 S103 K104 A110K102-Q106 WeakPolarHBondContact O-CB 3.33Å; K102-Q106 VanDerWaalsContact O-CG 3.31Å; K102-Q106 WeakPolarHBondContact O-CG 3.26Å; K102-Q106 PolarHBondContact O-N 2.94Å; S103-Q106 PolarHBondContact O-N 3.45Å; K104-Q106 PolarHBondContact O-N 3.24Å; Q106-A110 VanDerWaalsContact O-CB 3.23Å; Q106-A110 WeakPolarHBondContact O-CB 3.23Å; Q106-A110 PolarHBondContact O-N 3.49Å
107H95.8Very high96Very high68 Ų6893.7 Ų93.732%0.31546%0.457SS..Hα-helixtrans-59.9-47178.2177.287.4000112.8S103 K104 V105 Y111 R116 Q119S103-H107 WeakPolarHBondContact O-CB 3.08Å; S103-H107 PolarHBondContact O-N 3.42Å; K104-H107 PolarHBondContact O-N 3.39Å; V105-H107 VanDerWaalsContact C-N 3.31Å; V105-H107 PolarHBondContact O-N 3.5Å; H107-Y111 PolarHBondContact O-N 3.32Å; H107-R116 VanDerWaalsContact CE1-CZ 3.47Å; H107-R116 PolarHBondContact CE1-NE 3.39Å; H107-R116 PolarHBondContact CE1-NH2 2.87Å; H107-R116 PolarHBondContact NE2-NH2 3.32Å; H107-Q119 PolarHBondContact CE1-OE1 2.89Å; H107-Q119 VanDerWaalsContact CE1-OE1 3.24Å
108Y94.9Very high95.9Very high113 Ų11393.6 Ų93.644%0.44347%0.465SS..Hα-helixtrans-72.3-42.3179.5-66.5-51.4000112.4F2 K104 V105 A110 Y111 W112F2-Y108 HydrophobicContact CD1-CD2 4.44Å; F2-Y108 HydrophobicContact CD1-CE2 4.05Å; F2-Y108 AromaticContact CE1-CD2 3.91Å; F2-Y108 HydrophobicContact CE1-CD2 3.91Å; F2-Y108 AromaticContact CE1-CE2 3.99Å; F2-Y108 HydrophobicContact CE1-CE2 3.99Å; F2-Y108 HydrophobicContact CG-CE2 4.45Å; F2-Y108 HydrophobicContact CZ-CD2 4.09Å; F2-Y108 HydrophobicContact CZ-CE2 4.34Å; K104-Y108 HydrophobicContact CB-CE2 4.25Å; K104-Y108 WeakPolarHBondContact O-CD2 3.31Å; K104-Y108 PolarHBondContact O-N 2.69Å; V105-Y108 PolarHBondContact O-N 3.07Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 2.91Å; Y108-Y111 WeakPolarHBondContact O-CB 3.13Å; Y108-Y111 PolarHBondContact O-N 3.22Å; Y108-W112 PolarHBondContact O-N 3.15Å; Y108-W112 VanDerWaalsContact O-N 3.13Å
109V96Very high95.7Very high73 Ų7395.9 Ų95.944%0.44248%0.476SS..Hα-helixtrans-63.9-38177.91710000111V105 Y111 W112 M113V105-V109 HydrophobicContact CG1-CG2 4.04Å; V105-V109 WeakPolarHBondContact O-CB 3.5Å; V105-V109 VanDerWaalsContact O-CG2 3.26Å; V105-V109 WeakPolarHBondContact O-CG2 3.32Å; V105-V109 PolarHBondContact O-N 3.35Å; V109-Y111 VanDerWaalsContact C-N 3.26Å; V109-Y111 PolarHBondContact O-N 2.9Å; V109-W112 PolarHBondContact O-N 3.32Å; V109-M113 HydrophobicContact CG1-CG 3.76Å; V109-M113 WeakPolarHBondContact O-CB 3.48Å; V109-M113 VanDerWaalsContact O-CG 3.24Å; V109-M113 WeakPolarHBondContact O-CG 3.41Å; V109-M113 PolarHBondContact O-N 3.32Å
110A97.7Very high95.3Very high25 Ų2589.4 Ų89.421%0.20746%0.457CS..Hα-helixtrans-58.2-39.4175.800000112.1Q106 Y108 G114 H115 R116Q106-A110 VanDerWaalsContact O-CB 3.23Å; Q106-A110 WeakPolarHBondContact O-CB 3.23Å; Q106-A110 PolarHBondContact O-N 3.49Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 2.91Å; A110-G114 PolarHBondContact O-N 3.18Å; A110-H115 HydrophobicContact CB-CB 4.22Å; A110-H115 CarbonylContact O-C 3.59Å; A110-H115 WeakPolarHBondContact O-CA 3.37Å; A110-H115 PolarHBondContact O-N 3Å; A110-R116 HydrophobicContact CB-CB 4.02Å; A110-R116 PolarHBondContact O-N 3.22Å
111Y96.4Very high95.1Very high99 Ų9987.2 Ų87.239%0.38845%0.45SS..Hα-helixtrans-64.6-50.6173.5174.8-108.5000111.6H107 Y108 V109 M113 G114 P118H107-Y111 PolarHBondContact O-N 3.32Å; Y108-Y111 WeakPolarHBondContact O-CB 3.13Å; Y108-Y111 PolarHBondContact O-N 3.22Å; V109-Y111 VanDerWaalsContact C-N 3.26Å; V109-Y111 PolarHBondContact O-N 2.9Å; Y111-M113 VanDerWaalsContact C-N 3.26Å; Y111-M113 PolarHBondContact O-N 3.01Å; Y111-G114 PolarHBondContact O-N 3.03Å; Y111-P118 HydrophobicContact CD2-CB 4.49Å; Y111-P118 HydrophobicContact CE2-CB 3.66Å; Y111-P118 HydrophobicContact CE2-CG 4.41Å
112W95.8Very high94.7Very high206 Ų20692.6 Ų92.678%0.7848%0.478SS*.Hα-helixtrans-63.5-29.6-179.1-71.7116.3000114.2Y108 V109 G114Y108-W112 PolarHBondContact O-N 3.15Å; Y108-W112 VanDerWaalsContact O-N 3.13Å; V109-W112 PolarHBondContact O-N 3.32Å; W112-G114 VanDerWaalsContact C-N 3.31Å
113M97.1Very high94.2Very high121 Ų12193.4 Ų93.460%0.59649%0.49SS*.THydrogen-bonded Turntrans-85.9-0.8176.4-64.2-63.1-6500113.1V109 Y111 H115V109-M113 HydrophobicContact CG1-CG 3.76Å; V109-M113 WeakPolarHBondContact O-CB 3.48Å; V109-M113 VanDerWaalsContact O-CG 3.24Å; V109-M113 WeakPolarHBondContact O-CG 3.41Å; V109-M113 PolarHBondContact O-N 3.32Å; Y111-M113 VanDerWaalsContact C-N 3.26Å; Y111-M113 PolarHBondContact O-N 3.01Å; M113-H115 VanDerWaalsContact C-N 3.25Å; M113-H115 PolarHBondContact O-N 2.63Å
114G97.1Very high93.8Very high64 Ų6497.2 Ų97.266%0.6650%0.5SS*.THydrogen-bonded Turntrans72.514.9-177.700000114.4A110 Y111 W112 R116A110-G114 PolarHBondContact O-N 3.18Å; Y111-G114 PolarHBondContact O-N 3.03Å; W112-G114 VanDerWaalsContact C-N 3.31Å; G114-R116 VanDerWaalsContact C-N 3.29Å
115H97.8Very high93.6Very high150 Ų15097 Ų9769%0.69450%0.5SS*.SBendtrans-84.2-3.7175.2-56.6155.7000113A110 M113A110-H115 HydrophobicContact CB-CB 4.22Å; A110-H115 CarbonylContact O-C 3.59Å; A110-H115 WeakPolarHBondContact O-CA 3.37Å; A110-H115 PolarHBondContact O-N 3Å; M113-H115 VanDerWaalsContact C-N 3.25Å; M113-H115 PolarHBondContact O-N 2.63Å
116R95.9Very high93.3Very high56 Ų5695.6 Ų95.621%0.21149%0.493CS..SBendtrans-145.8137.9179-171-174.472.182.9-21.5110.2H107 A110 G114H107-R116 VanDerWaalsContact CE1-CZ 3.47Å; H107-R116 PolarHBondContact CE1-NE 3.39Å; H107-R116 PolarHBondContact CE1-NH2 2.87Å; H107-R116 PolarHBondContact NE2-NH2 3.32Å; A110-R116 HydrophobicContact CB-CB 4.02Å; A110-R116 PolarHBondContact O-N 3.22Å; G114-R116 VanDerWaalsContact C-N 3.29Å
117D93.8Very high93Very high134 Ų13495.8 Ų95.872%0.71749%0.488SS*.  trans-63.2154.2171.3-67.7-45.7000112.3
118P90.9Very high92.8Very high95 Ų9597.2 Ų97.262%0.61749%0.493SS*.  trans-56.8141.3171.523.2-32.2000111.4Y111Y111-P118 HydrophobicContact CD2-CB 4.49Å; Y111-P118 HydrophobicContact CE2-CB 3.66Å; Y111-P118 HydrophobicContact CE2-CG 4.41Å
119Q89.9Confident92.6Very high130 Ų13092.9 Ų92.961%0.60748%0.479SS*.  trans-114.1147.1168.7-83.11663.700108.7H107H107-Q119 PolarHBondContact CE1-OE1 2.89Å; H107-Q119 VanDerWaalsContact CE1-OE1 3.24Å
120G88.9Confident92.2Very high32 Ų3297 Ų9733%0.3349%0.487SS..PPolyproline II helixtrans-67173.9172.800000112.3
121V89.5Confident92Very high54 Ų54101.5 Ų101.533%0.32751%0.512SS..PPolyproline II helixtrans-66.5157.2175.8-63.80000110.8E125 W140V121-E125 HydrophobicContact CB-CB 4.09Å; V121-W140 HydrophobicContact CG2-CH2 3.68Å; V121-W140 HydrophobicContact CG2-CZ2 4.37Å; V121-W140 HydrophobicContact CG2-CZ3 3.86Å; V121-W140 WeakPolarHBondContact O-CH2 3.3Å; V121-W140 WeakPolarHBondContact O-CZ2 3.49Å
122D88.5Confident91.8Very high118 Ų11899.1 Ų99.163%0.63151%0.509SS*.PPolyproline II helixtrans-58.5151.9166.6-62.4-40.7000109.9E124 E125 A126D122-E124 PolarHBondContact O-N 3.27Å; D122-E125 CarbonylContact O-C 3.54Å; D122-E125 WeakPolarHBondContact O-CA 3.5Å; D122-E125 WeakPolarHBondContact O-CB 3.05Å; D122-E125 PolarHBondContact O-N 3.44Å; D122-A126 PolarHBondContact O-N 2.93Å
123V86.8Confident91.7Very high98 Ų9896.5 Ų96.559%0.59451%0.51SS*.G310 helixtrans-61.4-34.5-173.3176.20000111.2E125 A126V123-E125 PolarHBondContact O-N 2.88Å; V123-A126 WeakPolarHBondContact O-CB 3.24Å; V123-A126 PolarHBondContact O-N 2.85Å; V123-A126 VanDerWaalsContact O-N 3.15Å
124E88.5Confident91.5Very high149 Ų14998.4 Ų98.470%0.69651%0.512SS*.G310 helixtrans-63.3-28.1175.6-61.277-171.200112D122 W127D122-E124 PolarHBondContact O-N 3.27Å; E124-W127 VanDerWaalsContact O-CD1 3.29Å
125E90.3Very high91.2Very high67 Ų6797 Ų9731%0.31349%0.491SS..G310 helixtrans-95.61.9179.8-65.5-63.913500112.6V121 D122 V123 W127 K128V121-E125 HydrophobicContact CB-CB 4.09Å; D122-E125 CarbonylContact O-C 3.54Å; D122-E125 WeakPolarHBondContact O-CA 3.5Å; D122-E125 WeakPolarHBondContact O-CB 3.05Å; D122-E125 PolarHBondContact O-N 3.44Å; V123-E125 PolarHBondContact O-N 2.88Å; E125-W127 PolarHBondContact O-N 3.32Å; E125-W127 PolarHBondContact OE2-NE1 2.79Å; E125-K128 HydrophobicContact CB-CD 4.46Å; E125-K128 WeakPolarHBondContact O-CB 3.35Å; E125-K128 WeakPolarHBondContact O-CG 3.46Å; E125-K128 PolarHBondContact O-N 3.21Å; E125-K128 WeakPolarHBondContact OE2-CE 3.16Å; E125-K128 IonicContact OE2-NZ 2.62Å; E125-K128 PolarHBondContact OE2-NZ 3.44Å
126A91.4Very high90.8Very high17 Ų1797 Ų9714%0.1450%0.496CS..G310 helixtrans-62-14179.400000113.5D122 V123 K128 C129 W140D122-A126 PolarHBondContact O-N 2.93Å; V123-A126 WeakPolarHBondContact O-CB 3.24Å; V123-A126 PolarHBondContact O-N 2.85Å; V123-A126 VanDerWaalsContact O-N 3.15Å; A126-K128 PolarHBondContact O-N 3.28Å; A126-C129 VanDerWaalsContact O-CB 3.25Å; A126-C129 WeakPolarHBondContact O-CB 2.9Å; A126-C129 PolarHBondContact O-N 3.18Å; A126-W140 HydrophobicContact CB-CH2 4.21Å
127W90.8Very high90.6Very high143 Ų143100.2 Ų100.254%0.54252%0.516SS..G310 helixtrans-58.3-28.9170.568.2-94.5000112.2E124 E125 C129 R130E124-W127 VanDerWaalsContact O-CD1 3.29Å; E125-W127 PolarHBondContact O-N 3.32Å; E125-W127 PolarHBondContact OE2-NE1 2.79Å; W127-C129 PolarHBondContact O-N 3.17Å; W127-R130 VanDerWaalsContact O-CB 3.3Å; W127-R130 WeakPolarHBondContact O-CB 3.43Å; W127-R130 VanDerWaalsContact O-CG 3.31Å; W127-R130 WeakPolarHBondContact O-CG 3.25Å; W127-R130 PolarHBondContact O-N 3.03Å; W127-R130 VanDerWaalsContact O-N 3.11Å
128K90.4Very high90.5Very high97 Ų9795.7 Ų95.742%0.42250%0.495SS..G310 helixtrans-63.4-25.2174.6-68.2171.5172.9159.30112.7E125 A126 R130 T131E125-K128 HydrophobicContact CB-CD 4.46Å; E125-K128 WeakPolarHBondContact O-CB 3.35Å; E125-K128 WeakPolarHBondContact O-CG 3.46Å; E125-K128 PolarHBondContact O-N 3.21Å; E125-K128 WeakPolarHBondContact OE2-CE 3.16Å; E125-K128 IonicContact OE2-NZ 2.62Å; E125-K128 PolarHBondContact OE2-NZ 3.44Å; A126-K128 PolarHBondContact O-N 3.28Å; K128-R130 PolarHBondContact O-N 2.63Å; K128-T131 PolarHBondContact O-N 3.41Å
129C91.2Very high90.5Very high22 Ų2297.6 Ų97.615%0.14950%0.495CS..G310 helixtrans-68.6-16.1176.5-59.10000112.8A126 W127 T131 C132A126-C129 VanDerWaalsContact O-CB 3.25Å; A126-C129 WeakPolarHBondContact O-CB 2.9Å; A126-C129 PolarHBondContact O-N 3.18Å; W127-C129 PolarHBondContact O-N 3.17Å; C129-T131 PolarHBondContact O-N 3.01Å; C129-C132 PolarHBondContact O-N 3.13Å
130R88.7Confident90.4Very high160 Ų16094.5 Ų94.560%0.60448%0.478SS*.G310 helixtrans-67.5-22.4179.4-63.8179-175.8-176.23.6113.4W127 K128W127-R130 VanDerWaalsContact O-CB 3.3Å; W127-R130 WeakPolarHBondContact O-CB 3.43Å; W127-R130 VanDerWaalsContact O-CG 3.31Å; W127-R130 WeakPolarHBondContact O-CG 3.25Å; W127-R130 PolarHBondContact O-N 3.03Å; W127-R130 VanDerWaalsContact O-N 3.11Å; K128-R130 PolarHBondContact O-N 2.63Å
131T92.1Very high90.3Very high119 Ų11997.5 Ų97.573%0.7348%0.48SS*.G310 helixtrans-12119.6-179.860.30000111.4K128 C129K128-T131 PolarHBondContact O-N 3.41Å; C129-T131 PolarHBondContact O-N 3.01Å
132C92.4Very high90.1Very high50 Ų50102.5 Ų102.534%0.33849%0.493SS..  trans-87.5122.2-178.5-177.80000110.1C129 Y134 V135C129-C132 PolarHBondContact O-N 3.13Å; C132-Y134 PolarHBondContact O-N 3.24Å; C132-Y134 VanDerWaalsContact O-N 3.09Å; C132-V135 VanDerWaalsContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CG1 3.31Å; C132-V135 PolarHBondContact O-N 3.48Å; C132-V135 VanDerWaalsContact O-N 3.16Å
133D94.9Very high89.5Confident150 Ų150100.1 Ų100.180%0.80250%0.495SS*.THydrogen-bonded Turntrans-63.5-17-179.8-61.1-34.1000113.7
134Y91.9Very high88.5Confident161 Ų16198 Ų9863%0.63149%0.485SS*.THydrogen-bonded Turntrans-102.212-177.8-53.3-78.8000113.1C132 D136 I137 C138C132-Y134 PolarHBondContact O-N 3.24Å; C132-Y134 VanDerWaalsContact O-N 3.09Å; Y134-D136 PolarHBondContact O-N 2.81Å; Y134-D136 VanDerWaalsContact O-N 3.17Å; Y134-I137 HydrophobicContact CD1-CD1 4.24Å; Y134-I137 WeakPolarHBondContact O-CG1 3.42Å; Y134-I137 PolarHBondContact O-N 3.33Å; Y134-I137 VanDerWaalsContact O-N 3.13Å; Y134-C138 PolarHBondContact O-N 3.11Å; Y134-C138 VanDerWaalsContact O-N 3.1Å
135V90.7Very high87Confident36 Ų3693.9 Ų93.922%0.21848%0.483CS..THydrogen-bonded Turntrans-58.7-32.6-171.171.60000113.2C132 I137C132-V135 VanDerWaalsContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CG1 3.31Å; C132-V135 PolarHBondContact O-N 3.48Å; C132-V135 VanDerWaalsContact O-N 3.16Å; V135-I137 VanDerWaalsContact C-N 3.34Å; V135-I137 PolarHBondContact O-N 3.46Å
136D90Very high85.3Confident149 Ų14992.9 Ų92.980%0.79748%0.481SS*.THydrogen-bonded Turntrans-74-24.2-177.6-63.7-32.6000113.3Y134Y134-D136 PolarHBondContact O-N 2.81Å; Y134-D136 VanDerWaalsContact O-N 3.17Å
137I92.1Very high83.2Confident123 Ų12398.2 Ų98.263%0.63151%0.507SS*.THydrogen-bonded Turntrans-109.92.9-179.565.4169.3000113Y134 V135 E139Y134-I137 HydrophobicContact CD1-CD1 4.24Å; Y134-I137 WeakPolarHBondContact O-CG1 3.42Å; Y134-I137 PolarHBondContact O-N 3.33Å; Y134-I137 VanDerWaalsContact O-N 3.13Å; V135-I137 VanDerWaalsContact C-N 3.34Å; V135-I137 PolarHBondContact O-N 3.46Å; I137-E139 PolarHBondContact O-N 3.26Å; I137-E139 VanDerWaalsContact O-N 3.17Å
138C90.9Very high81.2Confident40 Ų4095.9 Ų95.927%0.2751%0.512SS..  trans-74.1106.5-175.4-177.10000111.9Y134 W140 R141 R142Y134-C138 PolarHBondContact O-N 3.11Å; Y134-C138 VanDerWaalsContact O-N 3.1Å; C138-W140 VanDerWaalsContact C-N 3.34Å; C138-W140 PolarHBondContact O-N 3.28Å; C138-R141 HydrophobicContact CB-CB 4.1Å; C138-R141 PolarHBondContact O-N 2.96Å; C138-R142 PolarHBondContact O-N 3.01Å; C138-R142 VanDerWaalsContact O-N 3.16Å
139E89.8Confident78.9Confident134 Ų13495.1 Ų95.163%0.62652%0.519SS*.Hα-helixtrans-65.5-36.8-178.9-52.4-154.8127.500113I137 R141 R142 G143I137-E139 PolarHBondContact O-N 3.26Å; I137-E139 VanDerWaalsContact O-N 3.17Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.4Å; E139-R142 PolarHBondContact O-N 3.25Å; E139-R142 IonicContact OE1-NH2 3.46Å; E139-R142 PolarHBondContact OE1-NH2 2.91Å; E139-G143 PolarHBondContact O-N 3.42Å
140W89.2Confident76.5Confident66 Ų6699 Ų9925%0.2555%0.547CS..Hα-helixtrans-57.8-45.7175.5175.484.5000111.2V121 A126 C138 R142 G143 S144V121-W140 HydrophobicContact CG2-CH2 3.68Å; V121-W140 HydrophobicContact CG2-CZ2 4.37Å; V121-W140 HydrophobicContact CG2-CZ3 3.86Å; V121-W140 WeakPolarHBondContact O-CH2 3.3Å; V121-W140 WeakPolarHBondContact O-CZ2 3.49Å; A126-W140 HydrophobicContact CB-CH2 4.21Å; C138-W140 VanDerWaalsContact C-N 3.34Å; C138-W140 PolarHBondContact O-N 3.28Å; W140-R142 PolarHBondContact O-N 2.84Å; W140-G143 PolarHBondContact O-N 2.85Å; W140-S144 PolarHBondContact NE1-OG 3.28Å; W140-S144 WeakPolarHBondContact O-CB 3.42Å; W140-S144 PolarHBondContact O-N 3.22Å; W140-S144 PolarHBondContact O-OG 3.42Å
141R85.4Confident74.2Confident95 Ų95100.5 Ų100.536%0.35855%0.552SS.*Hα-helixtrans-64.5-42.1177.8-173.2-178.4-178.4-134.15.6111.7C138 E139C138-R141 HydrophobicContact CB-CB 4.1Å; C138-R141 PolarHBondContact O-N 2.96Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.4Å
142R85.3Confident71.4Confident159 Ų159102.4 Ų102.460%0.655%0.553SS**Hα-helixtrans-64.4-40.2179.2-172175.664.1-146.2-3.1112.1C138 E139 W140C138-R142 PolarHBondContact O-N 3.01Å; C138-R142 VanDerWaalsContact O-N 3.16Å; E139-R142 PolarHBondContact O-N 3.25Å; E139-R142 IonicContact OE1-NH2 3.46Å; E139-R142 PolarHBondContact OE1-NH2 2.91Å; W140-R142 PolarHBondContact O-N 2.84Å
143G77.5Confident68.8Low67 Ų67106 Ų10669%0.69158%0.576SS**Hα-helixtrans-83.6-26.5-178.300000114.9E139 W140 G145E139-G143 PolarHBondContact O-N 3.42Å; W140-G143 PolarHBondContact O-N 2.85Å; G143-G145 VanDerWaalsContact C-N 3.25Å; G143-G145 PolarHBondContact O-N 3.49Å
144S65.3Low66.1Low54 Ų54108.6 Ų108.638%0.37858%0.58SS.*THydrogen-bonded Turntrans-81.14.8-173.5-57.20000114.5W140 V146W140-S144 PolarHBondContact NE1-OG 3.28Å; W140-S144 WeakPolarHBondContact O-CB 3.42Å; W140-S144 PolarHBondContact O-N 3.22Å; W140-S144 PolarHBondContact O-OG 3.42Å; S144-V146 PolarHBondContact O-N 3.16Å
145G56.2Low63.7Low63 Ų63105.1 Ų105.165%0.64959%0.585SS**THydrogen-bonded Turntrans63.710.5-177.700000114.3G143 L147G143-G145 VanDerWaalsContact C-N 3.25Å; G143-G145 PolarHBondContact O-N 3.49Å; G145-L147 PolarHBondContact O-N 3.43Å
146V54.4Low61.3Low45 Ų45112.3 Ų112.327%0.27361%0.613SS.*  trans-76.645.7171.1-165.50000109.1S144S144-V146 PolarHBondContact O-N 3.16Å
147L48.4Very low58.8Low130 Ų130114.9 Ų114.968%0.68162%0.617SS**  trans-81.9118.8165-120.396.5000106.7G145G145-L147 PolarHBondContact O-N 3.43Å
148S48.4Very low56.3Low93 Ų93118.3 Ų118.365%0.6563%0.628SS**  trans5369.515966.70000117.3S150S148-S150 VanDerWaalsContact C-N 3.32Å; S148-S150 PolarHBondContact O-N 3.39Å
149S43.1Very low53.7Low82 Ų82129.9 Ų129.957%0.57367%0.673SS**  trans-8690.7135.367.30000106.6W151S149-W151 PolarHBondContact O-N 3.09Å
150S40.8Very low51.9Low104 Ų104129.7 Ų129.773%0.72768%0.676SS**  trans-55.190.5158.4270000107.5S148 E152S148-S150 VanDerWaalsContact C-N 3.32Å; S148-S150 PolarHBondContact O-N 3.39Å; S150-E152 PolarHBondContact O-N 3.17Å
151W38.8Very low50Low191 Ų191133 Ų13372%0.72370%0.698SS**  trans-75.884.6166.8-127.5-57.5000106.2S149S149-W151 PolarHBondContact O-N 3.09Å
152E34.9Very low48Very low159 Ų159135.1 Ų135.174%0.74372%0.717SS**  trans-59.3131161-69-169.412900107.4S150 K154S150-E152 PolarHBondContact O-N 3.17Å; E152-K154 PolarHBondContact O-N 3.1Å
153P36.5Very low45.8Very low126 Ų126133.7 Ų133.782%0.81872%0.724SS**  trans-63.1107.3171.9-5.417.2000107.3A155P153-A155 VanDerWaalsContact C-N 3.34Å; P153-A155 PolarHBondContact O-N 3.13Å
154K37.7Very low43.8Very low203 Ų203137.9 Ų137.988%0.88373%0.726SS**  trans-64.7101.9167-78-164.8178.3-178.10107.4E152 K156E152-K154 PolarHBondContact O-N 3.1Å; K154-K156 PolarHBondContact O-N 3.5Å; K154-K156 VanDerWaalsContact O-N 3.07Å
155A41.4Very low42.4Very low89 Ų89143.5 Ų143.574%0.73675%0.749SS**  trans-53.3115.1164.300000107.9P153 K157P153-A155 VanDerWaalsContact C-N 3.34Å; P153-A155 PolarHBondContact O-N 3.13Å; A155-K157 PolarHBondContact O-N 3.17Å
156K40.4Very low41.4Very low186 Ų186149.2 Ų149.281%0.80976%0.756SS**  trans-59.1102.7167.9-85.6177.3173.4176.10107.5K154 F158K154-K156 PolarHBondContact O-N 3.5Å; K154-K156 VanDerWaalsContact O-N 3.07Å; K156-F158 PolarHBondContact O-N 2.91Å
157K37.7Very low40.4Very low203 Ų203157.2 Ų157.288%0.88379%0.793SS**  trans-71.4110.1160.8-77.6-171177.9179.10106.9A155 K159A155-K157 PolarHBondContact O-N 3.17Å; K157-K159 PolarHBondContact O-N 3.16Å
158F39.6Very low39.8Very low196 Ų196159.5 Ų159.586%0.8680%0.803SS**  trans-65.3121.9161.8-84.1-91.8000108.7K156K156-F158 PolarHBondContact O-N 2.91Å
159K37.8Very low39Very low282 Ų282165.5 Ų165.5100%1.22682%0.816SS**  trans-141.40150-91.9-167.1175.3-173.90107.4K157K157-K159 PolarHBondContact O-N 3.16Å

Retrieved 159 of 159 residues in 164.7 ms (Link to these results)