A0A060YDD1_ONCMY Loading...

Baculoviral IAP repeat-containing protein 5

AlphaFold DB (A0A674EWE0), UniProt , Accession A0A060YDD1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 142 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
1M53.2Low68.1Low184 Ų18492.7 Ų92.791%0.90647%0.465SS*.  0126.30-96.1173.7177.500107.6P3 H8M1-P3 WeakPolarHBondContact O-CD 3.43Å; M1-H8 VanDerWaalsContact SD-CE1 3.56Å
2D55.8Low70.1Confident93 Ų9385.3 Ų85.350%0.49743%0.427SS..  trans-75.9113.4172.8176.17.2000108.9F4 S5D2-F4 PolarHBondContact O-N 3.18Å; D2-F4 VanDerWaalsContact O-N 3.16Å; D2-F4 PolarHBondContact OD1-N 3.34Å; D2-S5 PolarHBondContact O-N 2.92Å; D2-S5 PolarHBondContact O-OG 3.08Å
3P53.8Low71.9Confident48 Ų4887 Ų8731%0.31243%0.431SS..THydrogen-bonded Turntrans-67.4-10.7-178.828.5-33.7000113.4M1M1-P3 WeakPolarHBondContact O-CD 3.43Å
4F55.4Low73.6Confident154 Ų15485.1 Ų85.168%0.67542%0.417SS*.THydrogen-bonded Turntrans-107.53.5179.1-58.7-73.3000113.9D2 E6D2-F4 PolarHBondContact O-N 3.18Å; D2-F4 VanDerWaalsContact O-N 3.16Å; D2-F4 PolarHBondContact OD1-N 3.34Å; F4-E6 PolarHBondContact O-N 3Å
5S66.9Low75.1Confident33 Ų3386.9 Ų86.923%0.23142%0.424CS..  trans-58.4132.3173.558.20000110D2 D7 H8D2-S5 PolarHBondContact O-N 2.92Å; D2-S5 PolarHBondContact O-OG 3.08Å; S5-D7 PolarHBondContact O-N 3.09Å; S5-H8 PolarHBondContact O-N 3.39Å; S5-H8 PolarHBondContact OG-CD2 3.32Å
6E62.2Low76.4Confident154 Ų15484.1 Ų84.172%0.7241%0.414SS*.Hα-helixtrans-54-27.5-179.4-72.2-175.816500112.4F4 H8 T9 K10F4-E6 PolarHBondContact O-N 3Å; E6-H8 VanDerWaalsContact C-N 3.33Å; E6-H8 PolarHBondContact O-N 2.97Å; E6-T9 PolarHBondContact O-OG1 2.93Å; E6-T9 VanDerWaalsContact O-OG1 3.14Å; E6-K10 VanDerWaalsContact O-CG 3.31Å; E6-K10 WeakPolarHBondContact O-CG 3.49Å; E6-K10 PolarHBondContact O-N 3.36Å
7D66.6Low77.6Confident110 Ų11079.7 Ų79.759%0.58839%0.391SS*.Hα-helixtrans-68.3-33.3179.6-146.841.2000112.7S5 K10S5-D7 PolarHBondContact O-N 3.09Å; D7-K10 IonicContact OD1-NZ 3.76Å
8H69.5Low78.7Confident57 Ų5777.2 Ų77.226%0.26438%0.38SS..Hα-helixtrans-79.7-26.4-179-82.9-109.5000113.4M1 S5 E6M1-H8 VanDerWaalsContact SD-CE1 3.56Å; S5-H8 PolarHBondContact O-N 3.39Å; S5-H8 PolarHBondContact OG-CD2 3.32Å; E6-H8 VanDerWaalsContact C-N 3.33Å; E6-H8 PolarHBondContact O-N 2.97Å
9T83.2Confident79.7Confident45 Ų4579.5 Ų79.528%0.27639%0.394SS..Hα-helixtrans-81.4-27.8177.753.80000112.2E6 M11 Y12 F100E6-T9 PolarHBondContact O-OG1 2.93Å; E6-T9 VanDerWaalsContact O-OG1 3.14Å; T9-M11 PolarHBondContact O-N 3.45Å; T9-Y12 WeakPolarHBondContact O-CB 3.31Å; T9-Y12 WeakPolarHBondContact O-CD2 3.46Å; T9-Y12 PolarHBondContact O-N 2.98Å; T9-Y12 VanDerWaalsContact O-N 3.09Å; T9-F100 HydrophobicContact CG2-CZ 4.45Å
10K89.4Confident80.6Confident92 Ų9277.2 Ų77.240%0.438%0.384SS..Hα-helixtrans-56.3-35.2176.7-75.4169.8-166.9171.20113.8E6 D7 Y12 F13 T16E6-K10 VanDerWaalsContact O-CG 3.31Å; E6-K10 WeakPolarHBondContact O-CG 3.49Å; E6-K10 PolarHBondContact O-N 3.36Å; D7-K10 IonicContact OD1-NZ 3.76Å; K10-Y12 PolarHBondContact O-N 2.9Å; K10-Y12 VanDerWaalsContact O-N 3.17Å; K10-F13 WeakPolarHBondContact O-CB 3.31Å; K10-F13 VanDerWaalsContact O-CD2 3.31Å; K10-F13 WeakPolarHBondContact O-CD2 3.39Å; K10-F13 PolarHBondContact O-N 3.34Å; K10-F13 VanDerWaalsContact O-N 3.07Å; K10-T16 HydrophobicContact CB-CG2 4.11Å; K10-T16 VanDerWaalsContact O-CB 3.27Å; K10-T16 WeakPolarHBondContact O-CB 3.49Å; K10-T16 PolarHBondContact O-OG1 3.01Å
11M92.7Very high81.4Confident50 Ų5074.7 Ų74.725%0.24637%0.371CS..THydrogen-bonded Turntrans-69.8-9.6-178.4-68.5-63.3174.100113.9T9 F13 T16 R17 T20 I43 F57T9-M11 PolarHBondContact O-N 3.45Å; M11-F13 VanDerWaalsContact C-N 3.27Å; M11-T16 HydrophobicContact CE-CG2 4.04Å; M11-T16 HydrophobicContact SD-CG2 3.7Å; M11-R17 WeakPolarHBondContact O-CD 3.43Å; M11-R17 WeakPolarHBondContact O-CG 3.34Å; M11-R17 PolarHBondContact O-NH1 3.17Å; M11-R17 HydrophobicContact SD-CG 4.35Å; M11-T20 HydrophobicContact CE-CG2 4.41Å; M11-I43 HydrophobicContact SD-CG2 3.87Å; M11-F57 HydrophobicContact CB-CB 3.83Å; M11-F57 HydrophobicContact CB-CD2 3.47Å; M11-F57 VanDerWaalsContact CB-CD2 3.47Å; M11-F57 HydrophobicContact CB-CE2 4.28Å; M11-F57 HydrophobicContact CB-CG 3.82Å; M11-F57 HydrophobicContact CG-CB 4.4Å
12Y93Very high83.3Confident3 Ų371.5 Ų71.51%0.01236%0.361CS..THydrogen-bonded Turntrans-71.1-25.6170.5-77.2-94.3000112.3T9 K10 R17 F57 F58 V92 F100 L103 Q104 K107T9-Y12 WeakPolarHBondContact O-CB 3.31Å; T9-Y12 WeakPolarHBondContact O-CD2 3.46Å; T9-Y12 PolarHBondContact O-N 2.98Å; T9-Y12 VanDerWaalsContact O-N 3.09Å; K10-Y12 PolarHBondContact O-N 2.9Å; K10-Y12 VanDerWaalsContact O-N 3.17Å; Y12-R17 VanDerWaalsContact C-NH1 3.29Å; Y12-R17 PolarHBondContact O-NH1 3.09Å; Y12-F57 AromaticContact CD1-CE2 3.86Å; Y12-F57 HydrophobicContact CD1-CE2 3.86Å; Y12-F57 AromaticContact CD1-CZ 3.93Å; Y12-F57 HydrophobicContact CD1-CZ 3.93Å; Y12-F57 AromaticContact CD2-CE2 3.68Å; Y12-F57 HydrophobicContact CD2-CE2 3.68Å; Y12-F57 AromaticContact CE1-CE2 3.89Å; Y12-F57 HydrophobicContact CE1-CE2 3.89Å; Y12-F57 HydrophobicContact CE1-CZ 4.09Å; Y12-F57 HydrophobicContact CE2-CD2 4.46Å; Y12-F57 AromaticContact CE2-CE2 3.69Å; Y12-F57 HydrophobicContact CE2-CE2 3.69Å; Y12-F57 AromaticContact CG-CE2 3.75Å; Y12-F57 HydrophobicContact CG-CE2 3.75Å; Y12-F57 HydrophobicContact CG-CZ 4.16Å; Y12-F57 AromaticContact CZ-CE2 3.79Å; Y12-F58 HydrophobicContact CE1-CD2 4.22Å; Y12-F58 HydrophobicContact CE1-CE2 4.34Å; Y12-F58 WeakPolarHBondContact OH-CE2 3.41Å; Y12-V92 HydrophobicContact CD1-CG1 4.29Å; Y12-V92 HydrophobicContact CD1-CG2 4.3Å; Y12-F100 HydrophobicContact CD1-CD2 4.46Å; Y12-F100 AromaticContact CD1-CE2 3.69Å; Y12-F100 HydrophobicContact CD1-CE2 3.69Å; Y12-F100 HydrophobicContact CD2-CE2 4.24Å; Y12-F100 HydrophobicContact CD2-CZ 4.37Å; Y12-F100 HydrophobicContact CE1-CE2 4.04Å; Y12-F100 AromaticContact CG-CE2 3.8Å; Y12-F100 HydrophobicContact CG-CE2 3.8Å; Y12-F100 HydrophobicContact CG-CZ 4.35Å; Y12-L103 HydrophobicContact CD1-CD2 4.33Å; Y12-L103 HydrophobicContact CE1-CD2 3.74Å; Y12-L103 HydrophobicContact CE1-CG 4.25Å; Y12-Q104 VanDerWaalsContact OH-CD 3.31Å; Y12-Q104 PolarHBondContact OH-NE2 3.34Å; Y12-Q104 PolarHBondContact OH-OE1 3.47Å; Y12-K107 VanDerWaalsContact OH-CD 3.26Å; Y12-K107 WeakPolarHBondContact OH-CD 3.44Å
13F93Very high85.1Confident108 Ų10870.5 Ų70.547%0.47437%0.373SS..SBendtrans-76.5131.5174.1-57-69.2000110.6K10 M11 E15 T16 R17K10-F13 WeakPolarHBondContact O-CB 3.31Å; K10-F13 VanDerWaalsContact O-CD2 3.31Å; K10-F13 WeakPolarHBondContact O-CD2 3.39Å; K10-F13 PolarHBondContact O-N 3.34Å; K10-F13 VanDerWaalsContact O-N 3.07Å; M11-F13 VanDerWaalsContact C-N 3.27Å; F13-E15 VanDerWaalsContact C-N 3.35Å; F13-E15 PolarHBondContact O-N 3.45Å; F13-T16 PolarHBondContact O-N 2.95Å; F13-R17 PolarHBondContact O-N 3.21Å; F13-R17 PolarHBondContact O-NH1 3.29Å
14Y95.6Very high87.1Confident61 Ų6168.7 Ų68.724%0.23936%0.36CS..Hα-helixtrans-56.9-47.2179.7165.1-100.7000112.1T16 R17 L18 E35 A38 K39Y14-T16 VanDerWaalsContact C-N 3.29Å; Y14-T16 PolarHBondContact O-N 3.49Å; Y14-R17 WeakPolarHBondContact O-CA 3.4Å; Y14-R17 WeakPolarHBondContact O-CB 3.5Å; Y14-R17 PolarHBondContact O-N 3.38Å; Y14-L18 HydrophobicContact CE1-CB 4.5Å; Y14-L18 HydrophobicContact CE1-CD2 3.96Å; Y14-L18 PolarHBondContact O-N 3.31Å; Y14-E35 WeakPolarHBondContact OH-CA 3.27Å; Y14-E35 VanDerWaalsContact OH-CB 3.31Å; Y14-E35 WeakPolarHBondContact OH-CB 3.47Å; Y14-E35 WeakPolarHBondContact OH-CG 3.31Å; Y14-A38 HydrophobicContact CD2-CB 3.97Å; Y14-A38 HydrophobicContact CE2-CB 3.64Å; Y14-K39 HydrophobicContact CD2-CG 4.16Å; Y14-K39 HydrophobicContact CE2-CG 3.71Å
15E96.1Very high88.9Confident112 Ų11265 Ų6552%0.52335%0.352SS..Hα-helixtrans-58.9-39.3-178.6-59.1-56.1151.400112.6F13 R17 L18 N19F13-E15 VanDerWaalsContact C-N 3.35Å; F13-E15 PolarHBondContact O-N 3.45Å; E15-R17 VanDerWaalsContact C-N 3.27Å; E15-R17 PolarHBondContact O-N 3.38Å; E15-L18 PolarHBondContact O-N 2.96Å; E15-N19 WeakPolarHBondContact O-CB 3.4Å; E15-N19 PolarHBondContact O-N 3.25Å; E15-N19 PolarHBondContact O-ND2 3.19Å
16T95.8Very high90.2Very high42 Ų4265 Ų6526%0.25835%0.348SS..Hα-helixtrans-59.4-41.4175.4-49.10000111.2K10 M11 F13 Y14 T20K10-T16 HydrophobicContact CB-CG2 4.11Å; K10-T16 VanDerWaalsContact O-CB 3.27Å; K10-T16 WeakPolarHBondContact O-CB 3.49Å; K10-T16 PolarHBondContact O-OG1 3.01Å; M11-T16 HydrophobicContact CE-CG2 4.04Å; M11-T16 HydrophobicContact SD-CG2 3.7Å; F13-T16 PolarHBondContact O-N 2.95Å; Y14-T16 VanDerWaalsContact C-N 3.29Å; Y14-T16 PolarHBondContact O-N 3.49Å; T16-T20 WeakPolarHBondContact O-CG2 3.39Å
17R96.8Very high91.6Very high9 Ų964.5 Ų64.53%0.03435%0.345CS..Hα-helixtrans-71.5-42.5179.2-61.4-168-60.7-80.9-0.3111.4M11 Y12 F13 Y14 E15 N19 T20 Y21 A38 I43M11-R17 WeakPolarHBondContact O-CD 3.43Å; M11-R17 WeakPolarHBondContact O-CG 3.34Å; M11-R17 PolarHBondContact O-NH1 3.17Å; M11-R17 HydrophobicContact SD-CG 4.35Å; Y12-R17 VanDerWaalsContact C-NH1 3.29Å; Y12-R17 PolarHBondContact O-NH1 3.09Å; F13-R17 PolarHBondContact O-N 3.21Å; F13-R17 PolarHBondContact O-NH1 3.29Å; Y14-R17 WeakPolarHBondContact O-CA 3.4Å; Y14-R17 WeakPolarHBondContact O-CB 3.5Å; Y14-R17 PolarHBondContact O-N 3.38Å; E15-R17 VanDerWaalsContact C-N 3.27Å; E15-R17 PolarHBondContact O-N 3.38Å; R17-N19 VanDerWaalsContact C-N 3.29Å; R17-N19 PolarHBondContact O-N 3.14Å; R17-T20 WeakPolarHBondContact O-CB 3.4Å; R17-T20 PolarHBondContact O-N 3.26Å; R17-T20 VanDerWaalsContact O-N 3.09Å; R17-T20 PolarHBondContact O-OG1 3.37Å; R17-Y21 WeakPolarHBondContact O-CD2 3.43Å; R17-A38 HydrophobicContact CB-CB 3.99Å; R17-A38 VanDerWaalsContact CZ-O 3.3Å; R17-A38 PolarHBondContact NE-O 3.07Å; R17-A38 PolarHBondContact NH2-O 3.34Å; R17-I43 HydrophobicContact CB-CG2 3.87Å; R17-I43 HydrophobicContact CG-CG2 3.7Å
18L97.9Very high92.7Very high35 Ų3568.8 Ų68.818%0.18336%0.362CS..Hα-helixtrans-57.9-43.8177.6-178.460.8000111.4Y14 E15 T20 Y21 P34 E35 A38Y14-L18 HydrophobicContact CE1-CB 4.5Å; Y14-L18 HydrophobicContact CE1-CD2 3.96Å; Y14-L18 PolarHBondContact O-N 3.31Å; E15-L18 PolarHBondContact O-N 2.96Å; L18-T20 PolarHBondContact O-N 3.41Å; L18-Y21 PolarHBondContact O-N 3.25Å; L18-Y21 VanDerWaalsContact O-N 3.08Å; L18-P34 HydrophobicContact CD1-CB 3.71Å; L18-E35 HydrophobicContact CD1-CG 4.22Å; L18-A38 HydrophobicContact CB-CB 4.12Å; L18-A38 HydrophobicContact CD1-CB 4.44Å
19N97.3Very high93.8Very high121 Ų12170.1 Ų70.165%0.64739%0.391SS*.THydrogen-bonded Turntrans-64-9.2179-70.9-25000114.6E15 R17E15-N19 WeakPolarHBondContact O-CB 3.4Å; E15-N19 PolarHBondContact O-N 3.25Å; E15-N19 PolarHBondContact O-ND2 3.19Å; R17-N19 VanDerWaalsContact C-N 3.29Å; R17-N19 PolarHBondContact O-N 3.14Å
20T97.3Very high94.5Very high33 Ų3369.5 Ų69.520%0.20239%0.388CS..THydrogen-bonded Turntrans-76.8-23.3174.267.40000112.9M11 T16 R17 L18 V22 I43 H44M11-T20 HydrophobicContact CE-CG2 4.41Å; T16-T20 WeakPolarHBondContact O-CG2 3.39Å; R17-T20 WeakPolarHBondContact O-CB 3.4Å; R17-T20 PolarHBondContact O-N 3.26Å; R17-T20 VanDerWaalsContact O-N 3.09Å; R17-T20 PolarHBondContact O-OG1 3.37Å; L18-T20 PolarHBondContact O-N 3.41Å; T20-V22 VanDerWaalsContact C-N 3.33Å; T20-V22 PolarHBondContact O-N 3.08Å; T20-I43 HydrophobicContact CG2-CB 4.02Å; T20-I43 HydrophobicContact CG2-CG2 4.03Å; T20-I43 WeakPolarHBondContact OG1-CA 3.28Å; T20-H44 WeakPolarHBondContact O-CB 3.27Å; T20-H44 PolarHBondContact OG1-N 3.43Å
21Y97.2Very high94.9Very high24 Ų2466.7 Ų66.79%0.09438%0.382CS..  trans-79.476.8-174.5-71.4-92.5000111.7R17 L18 W24 P34 M37 A38 F42 H44R17-Y21 WeakPolarHBondContact O-CD2 3.43Å; L18-Y21 PolarHBondContact O-N 3.25Å; L18-Y21 VanDerWaalsContact O-N 3.08Å; Y21-W24 HydrophobicContact CD1-CB 3.96Å; Y21-W24 AromaticContact CD1-CD2 3.6Å; Y21-W24 HydrophobicContact CD1-CD2 3.6Å; Y21-W24 AromaticContact CD1-CE3 3.77Å; Y21-W24 HydrophobicContact CD1-CE3 3.77Å; Y21-W24 AromaticContact CD1-CG 3.68Å; Y21-W24 HydrophobicContact CD1-CG 3.68Å; Y21-W24 AromaticContact CE1-CD2 3.88Å; Y21-W24 HydrophobicContact CE1-CD2 3.88Å; Y21-W24 AromaticContact CE1-CE3 3.89Å; Y21-W24 HydrophobicContact CE1-CE3 3.89Å; Y21-W24 HydrophobicContact CE1-CG 4.39Å; Y21-W24 HydrophobicContact CE1-CH2 4.48Å; Y21-W24 HydrophobicContact CE1-CZ2 4.47Å; Y21-W24 HydrophobicContact CE1-CZ3 4.18Å; Y21-P34 HydrophobicContact CD1-CB 4.2Å; Y21-P34 HydrophobicContact CD1-CG 4.45Å; Y21-P34 HydrophobicContact CD2-CB 4.26Å; Y21-P34 HydrophobicContact CG-CB 3.78Å; Y21-P34 HydrophobicContact CG-CG 4.35Å; Y21-M37 HydrophobicContact CE1-CB 3.68Å; Y21-M37 HydrophobicContact CE1-CE 4.24Å; Y21-M37 HydrophobicContact CE1-CG 4.06Å; Y21-M37 HydrophobicContact CE2-CB 4.16Å; Y21-M37 VanDerWaalsContact CZ-CB 3.42Å; Y21-M37 VanDerWaalsContact OH-CB 3.26Å; Y21-M37 WeakPolarHBondContact OH-CB 3.19Å; Y21-A38 HydrophobicContact CE2-CB 4.31Å; Y21-F42 WeakPolarHBondContact OH-CB 3.38Å; Y21-F42 PolarHBondContact OH-O 2.93Å; Y21-H44 HydrophobicContact CD1-CB 3.7Å; Y21-H44 HydrophobicContact CD2-CB 4.3Å; Y21-H44 HydrophobicContact CE1-CB 3.8Å; Y21-H44 HydrophobicContact CE2-CB 4.39Å; Y21-H44 HydrophobicContact CG-CB 3.92Å
22V94.6Very high95.1Very high117 Ų11764.3 Ų64.371%0.70937%0.371SS*.SBendtrans-102.9116.7174.5-178.70000108.8T20 H44T20-V22 VanDerWaalsContact C-N 3.33Å; T20-V22 PolarHBondContact O-N 3.08Å; V22-H44 PolarHBondContact O-CE1 3.42Å
23G93.4Very high95.3Very high73 Ų7365 Ų6575%0.75338%0.375SS*.SBendtrans75.626.3-177.700000113.9
24W96.2Very high95.6Very high9 Ų960.9 Ų60.93%0.03436%0.359CS..  trans-67132.2173.7-171.8-109.8000110.6Y21 F26 C32 P34 M37 H44 D52 A54 W66Y21-W24 HydrophobicContact CD1-CB 3.96Å; Y21-W24 AromaticContact CD1-CD2 3.6Å; Y21-W24 HydrophobicContact CD1-CD2 3.6Å; Y21-W24 AromaticContact CD1-CE3 3.77Å; Y21-W24 HydrophobicContact CD1-CE3 3.77Å; Y21-W24 AromaticContact CD1-CG 3.68Å; Y21-W24 HydrophobicContact CD1-CG 3.68Å; Y21-W24 AromaticContact CE1-CD2 3.88Å; Y21-W24 HydrophobicContact CE1-CD2 3.88Å; Y21-W24 AromaticContact CE1-CE3 3.89Å; Y21-W24 HydrophobicContact CE1-CE3 3.89Å; Y21-W24 HydrophobicContact CE1-CG 4.39Å; Y21-W24 HydrophobicContact CE1-CH2 4.48Å; Y21-W24 HydrophobicContact CE1-CZ2 4.47Å; Y21-W24 HydrophobicContact CE1-CZ3 4.18Å; W24-F26 VanDerWaalsContact CD1-O 3.24Å; W24-F26 AromaticContact CE2-CD2 3.96Å; W24-F26 AromaticContact CZ2-CD2 4Å; W24-F26 HydrophobicContact CZ2-CD2 4Å; W24-F26 AromaticContact NE1-CD2 3.82Å; W24-F26 PolarHBondContact O-N 3.14Å; W24-C32 PolarHBondContact NE1-O 3.45Å; W24-P34 HydrophobicContact CB-CG 4.22Å; W24-P34 HydrophobicContact CG-CG 4.25Å; W24-M37 HydrophobicContact CH2-CE 3.68Å; W24-M37 HydrophobicContact CZ2-CE 3.63Å; W24-M37 HydrophobicContact CZ2-CG 4.26Å; W24-M37 HydrophobicContact CZ2-SD 4.33Å; W24-H44 AromaticContact CE3-CD2 3.45Å; W24-H44 VanDerWaalsContact CE3-CD2 3.45Å; W24-H44 AromaticContact CE3-CG 3.9Å; W24-H44 AromaticContact CE3-NE2 3.54Å; W24-H44 AromaticContact CZ3-CD2 3.53Å; W24-H44 AromaticContact CZ3-NE2 3.86Å; W24-D52 HydrophobicContact CH2-CB 4.1Å; W24-D52 VanDerWaalsContact CH2-O 3.25Å; W24-D52 WeakPolarHBondContact CH2-O 3.49Å; W24-D52 HydrophobicContact CZ3-CB 4.02Å; W24-D52 VanDerWaalsContact CZ3-O 3.28Å; W24-D52 WeakPolarHBondContact CZ3-O 3.12Å; W24-A54 HydrophobicContact CH2-CB 4.27Å; W24-W66 HydrophobicContact CH2-CB 4.4Å; W24-W66 AromaticContact CH2-CD1 3.6Å; W24-W66 AromaticContact CH2-CG 3.94Å; W24-W66 HydrophobicContact CH2-CG 3.94Å; W24-W66 HydrophobicContact CZ2-CB 4.24Å; W24-W66 HydrophobicContact CZ2-CG 4.03Å
25P92.6Very high95.7Very high77 Ų7761.9 Ų61.950%0.537%0.366SS..SBendtrans-78-15.1-170.428.4-34.6000114.8D52P25-D52 HydrophobicContact CG-CB 4.44Å
26F94.9Very high95.8Very high34 Ų3459.3 Ų59.315%0.14936%0.356CS..  trans-111.3104.2-172.7-53.6-63000111.8W24 C30 C32 P34 W66 P68W24-F26 VanDerWaalsContact CD1-O 3.24Å; W24-F26 AromaticContact CE2-CD2 3.96Å; W24-F26 AromaticContact CZ2-CD2 4Å; W24-F26 HydrophobicContact CZ2-CD2 4Å; W24-F26 AromaticContact NE1-CD2 3.82Å; W24-F26 PolarHBondContact O-N 3.14Å; F26-C30 HydrophobicContact CB-CB 3.92Å; F26-C32 WeakPolarHBondContact CB-SG 3.34Å; F26-C32 WeakPolarHBondContact CD2-SG 3.35Å; F26-C32 WeakPolarHBondContact CG-SG 3.17Å; F26-P34 WeakPolarHBondContact O-CD 3.19Å; F26-W66 HydrophobicContact CD2-CB 4.21Å; F26-W66 HydrophobicContact CE2-CB 3.68Å; F26-W66 WeakPolarHBondContact CE2-O 3.35Å; F26-W66 WeakPolarHBondContact CZ-O 3.44Å; F26-P68 HydrophobicContact CD1-CB 4.36Å; F26-P68 HydrophobicContact CD1-CG 3.88Å; F26-P68 HydrophobicContact CE1-CG 3.74Å
27E90.5Very high95.9Very high142 Ų14257.3 Ų57.366%0.66434%0.344SS*.  trans-110.4-141.5-178.1-59.8-173171.500111.5G29 C30E27-G29 PolarHBondContact O-N 3.37Å; E27-C30 WeakPolarHBondContact O-CB 3.34Å; E27-C30 PolarHBondContact O-N 3.36Å; E27-C30 VanDerWaalsContact O-N 3.14Å
28E90.9Very high95.9Very high200 Ų20056.9 Ų56.994%0.93534%0.342SS*.THydrogen-bonded Turntrans-53.7130.3-175.4-166.9173.1-167.900112
29G91.8Very high95.9Very high85 Ų8561.1 Ų61.188%0.87636%0.359SS*.THydrogen-bonded Turntrans94.5-7.4-177.300000115.3E27E27-G29 PolarHBondContact O-N 3.37Å
30C97.1Very high95.9Very high32 Ų3255.5 Ų55.522%0.21633%0.329CS..  trans-94.1157.7172.9-53.40000111.5F26 E27 T33 P68F26-C30 HydrophobicContact CB-CB 3.92Å; E27-C30 WeakPolarHBondContact O-CB 3.34Å; E27-C30 PolarHBondContact O-N 3.36Å; E27-C30 VanDerWaalsContact O-N 3.14Å; C30-T33 HydrophobicContact CB-CG2 4.48Å; C30-T33 WeakPolarHBondContact O-CG2 3.44Å; C30-P68 CarbonylContact C-O 3.43Å; C30-P68 WeakPolarHBondContact CA-O 3.26Å; C30-P68 HydrophobicContact CB-CB 4.29Å; C30-P68 WeakPolarHBondContact CB-O 3.44Å
31A97.6Very high95.9Very high34 Ų3453.9 Ų53.928%0.28132%0.319SS..SBendtrans-79.8-36.1168.200000111.6T33 N36 P68 D70A31-T33 VanDerWaalsContact C-N 3.26Å; A31-T33 PolarHBondContact O-N 2.91Å; A31-T33 VanDerWaalsContact O-N 3.15Å; A31-N36 VanDerWaalsContact O-CB 3.32Å; A31-N36 WeakPolarHBondContact O-CB 3.36Å; A31-N36 PolarHBondContact O-ND2 2.72Å; A31-P68 PolarHBondContact N-O 2.95Å; A31-D70 CarbonylContact C-O 3.6Å; A31-D70 VanDerWaalsContact CB-O 3.23Å; A31-D70 WeakPolarHBondContact CB-O 3.29Å
32C97.2Very high95.9Very high0 Ų052.8 Ų52.80%032%0.315CS..SBendtrans-8741.7-179.662.30000113.9W24 F26 M37 W66 E67 D70 P72W24-C32 PolarHBondContact NE1-O 3.45Å; F26-C32 WeakPolarHBondContact CB-SG 3.34Å; F26-C32 WeakPolarHBondContact CD2-SG 3.35Å; F26-C32 WeakPolarHBondContact CG-SG 3.17Å; C32-M37 HydrophobicContact CB-SD 4.3Å; C32-M37 WeakPolarHBondContact O-CG 3.37Å; C32-W66 HydrophobicContact CB-CE3 3.95Å; C32-W66 HydrophobicContact CB-CZ3 4.49Å; C32-E67 PolarHBondContact SG-O 3.21Å; C32-D70 HydrophobicContact CB-CB 4.4Å; C32-D70 WeakPolarHBondContact CB-O 3.43Å; C32-D70 PolarHBondContact N-O 3.37Å; C32-P72 HydrophobicContact CB-CG 4.24Å
33T98.3Very high96.1Very high18 Ų1848.3 Ų48.311%0.1129%0.287CS..  trans-64.9158.1176.281.90000111.8C30 A31 E35 N36 M37C30-T33 HydrophobicContact CB-CG2 4.48Å; C30-T33 WeakPolarHBondContact O-CG2 3.44Å; A31-T33 VanDerWaalsContact C-N 3.26Å; A31-T33 PolarHBondContact O-N 2.91Å; A31-T33 VanDerWaalsContact O-N 3.15Å; T33-E35 VanDerWaalsContact CB-OE2 3.27Å; T33-E35 WeakPolarHBondContact CB-OE2 3.17Å; T33-E35 PolarHBondContact O-N 2.63Å; T33-E35 VanDerWaalsContact O-N 3.12Å; T33-E35 PolarHBondContact OG1-N 2.82Å; T33-E35 PolarHBondContact OG1-OE2 3.01Å; T33-N36 PolarHBondContact O-N 2.86Å; T33-N36 PolarHBondContact OG1-N 2.9Å; T33-M37 WeakPolarHBondContact O-CB 3.44Å; T33-M37 WeakPolarHBondContact O-CG 3.26Å; T33-M37 PolarHBondContact O-N 2.88Å
34P98.3Very high96.3Very high20 Ų2045.4 Ų45.413%0.1325%0.254CS..Hα-helixtrans-49.7-39175.1-31.439.4000113.8L18 Y21 W24 F26 A38L18-P34 HydrophobicContact CD1-CB 3.71Å; Y21-P34 HydrophobicContact CD1-CB 4.2Å; Y21-P34 HydrophobicContact CD1-CG 4.45Å; Y21-P34 HydrophobicContact CD2-CB 4.26Å; Y21-P34 HydrophobicContact CG-CB 3.78Å; Y21-P34 HydrophobicContact CG-CG 4.35Å; W24-P34 HydrophobicContact CB-CG 4.22Å; W24-P34 HydrophobicContact CG-CG 4.25Å; F26-P34 WeakPolarHBondContact O-CD 3.19Å; P34-A38 WeakPolarHBondContact O-CB 3.44Å; P34-A38 PolarHBondContact O-N 2.58Å
35E98Very high96.2Very high82 Ų8247 Ų4738%0.38327%0.265SS..Hα-helixtrans-66-45.9178.6-60.278-172.600111.9Y14 L18 T33 K39Y14-E35 WeakPolarHBondContact OH-CA 3.27Å; Y14-E35 VanDerWaalsContact OH-CB 3.31Å; Y14-E35 WeakPolarHBondContact OH-CB 3.47Å; Y14-E35 WeakPolarHBondContact OH-CG 3.31Å; L18-E35 HydrophobicContact CD1-CG 4.22Å; T33-E35 VanDerWaalsContact CB-OE2 3.27Å; T33-E35 WeakPolarHBondContact CB-OE2 3.17Å; T33-E35 PolarHBondContact O-N 2.63Å; T33-E35 VanDerWaalsContact O-N 3.12Å; T33-E35 PolarHBondContact OG1-N 2.82Å; T33-E35 PolarHBondContact OG1-OE2 3.01Å; E35-K39 WeakPolarHBondContact O-CB 3.42Å; E35-K39 WeakPolarHBondContact O-CG 3.42Å; E35-K39 PolarHBondContact O-N 3.14Å
36N97.9Very high96.3Very high59 Ų5946.6 Ų46.632%0.31626%0.262SS..Hα-helixtrans-70-38.7180-71.8-15.2000111.1A31 T33 K39 A40 P72A31-N36 VanDerWaalsContact O-CB 3.32Å; A31-N36 WeakPolarHBondContact O-CB 3.36Å; A31-N36 PolarHBondContact O-ND2 2.72Å; T33-N36 PolarHBondContact O-N 2.86Å; T33-N36 PolarHBondContact OG1-N 2.9Å; N36-K39 PolarHBondContact O-N 2.93Å; N36-A40 WeakPolarHBondContact O-CB 3.46Å; N36-A40 PolarHBondContact O-N 2.82Å; N36-P72 HydrophobicContact CB-CG 4.13Å
37M98.4Very high96.2Very high0 Ų048.6 Ų48.60%028%0.277CS..Hα-helixtrans-60.9-49.1173.5-67.6-69.2-78.100111.7Y21 W24 C32 T33 K39 A40 G41 F42 A54 W66 P72Y21-M37 HydrophobicContact CE1-CB 3.68Å; Y21-M37 HydrophobicContact CE1-CE 4.24Å; Y21-M37 HydrophobicContact CE1-CG 4.06Å; Y21-M37 HydrophobicContact CE2-CB 4.16Å; Y21-M37 VanDerWaalsContact CZ-CB 3.42Å; Y21-M37 VanDerWaalsContact OH-CB 3.26Å; Y21-M37 WeakPolarHBondContact OH-CB 3.19Å; W24-M37 HydrophobicContact CH2-CE 3.68Å; W24-M37 HydrophobicContact CZ2-CE 3.63Å; W24-M37 HydrophobicContact CZ2-CG 4.26Å; W24-M37 HydrophobicContact CZ2-SD 4.33Å; C32-M37 HydrophobicContact CB-SD 4.3Å; C32-M37 WeakPolarHBondContact O-CG 3.37Å; T33-M37 WeakPolarHBondContact O-CB 3.44Å; T33-M37 WeakPolarHBondContact O-CG 3.26Å; T33-M37 PolarHBondContact O-N 2.88Å; M37-K39 PolarHBondContact O-N 2.92Å; M37-A40 PolarHBondContact O-N 3.16Å; M37-G41 PolarHBondContact O-N 3.15Å; M37-F42 HydrophobicContact CB-CB 4.47Å; M37-F42 HydrophobicContact CE-CB 4.15Å; M37-F42 HydrophobicContact CE-CD2 4.37Å; M37-F42 HydrophobicContact CE-CG 4.31Å; M37-F42 WeakPolarHBondContact O-CB 3.33Å; M37-F42 PolarHBondContact O-N 3.05Å; M37-F42 HydrophobicContact SD-CD2 4.39Å; M37-A54 HydrophobicContact CE-CB 3.26Å; M37-W66 HydrophobicContact CE-CD2 3.81Å; M37-W66 HydrophobicContact CE-CE3 4.23Å; M37-W66 HydrophobicContact CE-CG 4.46Å; M37-W66 HydrophobicContact CE-CH2 3.84Å; M37-W66 HydrophobicContact CE-CZ2 3.36Å; M37-W66 HydrophobicContact CE-CZ3 4.25Å; M37-W66 HydrophobicContact SD-CD2 4.1Å; M37-W66 HydrophobicContact SD-CE3 3.9Å; M37-W66 HydrophobicContact SD-CH2 3.6Å; M37-W66 HydrophobicContact SD-CZ2 3.81Å; M37-W66 HydrophobicContact SD-CZ3 3.65Å; M37-P72 HydrophobicContact CG-CB 4.48Å; M37-P72 HydrophobicContact CG-CG 3.97Å; M37-P72 HydrophobicContact SD-CB 3.6Å; M37-P72 HydrophobicContact SD-CG 3.38Å; M37-P72 WeakPolarHBondContact SD-CG 3.29Å
38A97.6Very high96.2Very high0 Ų051 Ų510%029%0.288CS..Hα-helixtrans-65.8-35.8177.200000112.8Y14 R17 L18 Y21 P34 G41Y14-A38 HydrophobicContact CD2-CB 3.97Å; Y14-A38 HydrophobicContact CE2-CB 3.64Å; R17-A38 HydrophobicContact CB-CB 3.99Å; R17-A38 VanDerWaalsContact CZ-O 3.3Å; R17-A38 PolarHBondContact NE-O 3.07Å; R17-A38 PolarHBondContact NH2-O 3.34Å; L18-A38 HydrophobicContact CB-CB 4.12Å; L18-A38 HydrophobicContact CD1-CB 4.44Å; Y21-A38 HydrophobicContact CE2-CB 4.31Å; P34-A38 WeakPolarHBondContact O-CB 3.44Å; P34-A38 PolarHBondContact O-N 2.58Å; A38-G41 PolarHBondContact O-N 2.91Å; A38-G41 VanDerWaalsContact O-N 3.14Å
39K96.7Very high96.2Very high123 Ų12348.7 Ų48.754%0.53528%0.282SS..Hα-helixtrans-62.2-43.9172.2-78.8167.7-166.1164.10111.5Y14 E35 N36 M37 G41Y14-K39 HydrophobicContact CD2-CG 4.16Å; Y14-K39 HydrophobicContact CE2-CG 3.71Å; E35-K39 WeakPolarHBondContact O-CB 3.42Å; E35-K39 WeakPolarHBondContact O-CG 3.42Å; E35-K39 PolarHBondContact O-N 3.14Å; N36-K39 PolarHBondContact O-N 2.93Å; M37-K39 PolarHBondContact O-N 2.92Å; K39-G41 PolarHBondContact O-N 3.37Å; K39-G41 VanDerWaalsContact O-N 3.13Å
40A97.6Very high96.1Very high3 Ų345.9 Ų45.93%0.02525%0.249CC..THydrogen-bonded Turntrans-69.6-4175.500000113.6N36 M37 F42 P72 E73 H76 I86N36-A40 WeakPolarHBondContact O-CB 3.46Å; N36-A40 PolarHBondContact O-N 2.82Å; M37-A40 PolarHBondContact O-N 3.16Å; A40-F42 HydrophobicContact CB-CD2 3.98Å; A40-F42 HydrophobicContact CB-CE2 4.24Å; A40-P72 HydrophobicContact CB-CB 3.62Å; A40-E73 HydrophobicContact CB-CB 4.49Å; A40-H76 PolarHBondContact O-CE1 3.1Å; A40-H76 PolarHBondContact O-ND1 2.93Å; A40-I86 HydrophobicContact CB-CD1 4.31Å
41G97.1Very high96Very high0 Ų048.2 Ų48.20%026%0.264CS..THydrogen-bonded Turntrans89.813.3175.300000114M37 A38 K39 C56 F57M37-G41 PolarHBondContact O-N 3.15Å; A38-G41 PolarHBondContact O-N 2.91Å; A38-G41 VanDerWaalsContact O-N 3.14Å; K39-G41 PolarHBondContact O-N 3.37Å; K39-G41 VanDerWaalsContact O-N 3.13Å; G41-C56 VanDerWaalsContact O-CA 3.29Å; G41-C56 WeakPolarHBondContact O-CA 3.4Å; G41-F57 WeakPolarHBondContact O-CD1 3.47Å; G41-F57 PolarHBondContact O-N 2.88Å; G41-F57 VanDerWaalsContact O-N 3.1Å
42F98.2Very high95.8Very high1 Ų147.7 Ų47.70%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-83.2144.8173-69.1-73.9000111.7Y21 M37 A40 A54 K55 C56 L63 W66 P72 H76Y21-F42 WeakPolarHBondContact OH-CB 3.38Å; Y21-F42 PolarHBondContact OH-O 2.93Å; M37-F42 HydrophobicContact CB-CB 4.47Å; M37-F42 HydrophobicContact CE-CB 4.15Å; M37-F42 HydrophobicContact CE-CD2 4.37Å; M37-F42 HydrophobicContact CE-CG 4.31Å; M37-F42 WeakPolarHBondContact O-CB 3.33Å; M37-F42 PolarHBondContact O-N 3.05Å; M37-F42 HydrophobicContact SD-CD2 4.39Å; A40-F42 HydrophobicContact CB-CD2 3.98Å; A40-F42 HydrophobicContact CB-CE2 4.24Å; F42-A54 HydrophobicContact CB-CB 4.08Å; F42-A54 HydrophobicContact CD1-CB 4.08Å; F42-A54 HydrophobicContact CG-CB 4.24Å; F42-K55 CarbonylContact C-O 3.36Å; F42-K55 WeakPolarHBondContact CA-O 3.41Å; F42-C56 HydrophobicContact CD1-CB 4.28Å; F42-C56 HydrophobicContact CE1-CB 4.2Å; F42-L63 HydrophobicContact CE1-CD1 3.99Å; F42-L63 HydrophobicContact CE1-CG 4.3Å; F42-L63 HydrophobicContact CZ-CD1 3.6Å; F42-L63 HydrophobicContact CZ-CG 4.39Å; F42-W66 HydrophobicContact CD2-CH2 4.26Å; F42-W66 HydrophobicContact CD2-CZ2 4.32Å; F42-W66 HydrophobicContact CE1-CZ2 4.48Å; F42-W66 AromaticContact CE2-CH2 3.85Å; F42-W66 HydrophobicContact CE2-CH2 3.85Å; F42-W66 HydrophobicContact CE2-CZ2 4.07Å; F42-W66 HydrophobicContact CZ-CH2 4.27Å; F42-W66 HydrophobicContact CZ-CZ2 4.18Å; F42-P72 HydrophobicContact CD2-CB 4.31Å; F42-P72 HydrophobicContact CE2-CB 4.41Å; F42-P72 WeakPolarHBondContact CE2-O 3.45Å; F42-H76 HydrophobicContact CE2-CB 3.77Å; F42-H76 HydrophobicContact CZ-CB 3.8Å; F42-H76 AromaticContact CZ-CG 3.97Å
43I97.8Very high95.8Very high22 Ų2248.6 Ų48.611%0.11326%0.261CS..EExtended strand (participates in β ladder)trans-114.6146.1164.256.3165.9000108.8M11 R17 T20 T45 A54 K55 F57M11-I43 HydrophobicContact SD-CG2 3.87Å; R17-I43 HydrophobicContact CB-CG2 3.87Å; R17-I43 HydrophobicContact CG-CG2 3.7Å; T20-I43 HydrophobicContact CG2-CB 4.02Å; T20-I43 HydrophobicContact CG2-CG2 4.03Å; T20-I43 WeakPolarHBondContact OG1-CA 3.28Å; I43-T45 HydrophobicContact CD1-CG2 3.93Å; I43-T45 HydrophobicContact CG1-CG2 4.08Å; I43-A54 CarbonylContact O-C 3.46Å; I43-A54 WeakPolarHBondContact O-CA 3.32Å; I43-K55 HydrophobicContact CG1-CB 4.23Å; I43-K55 WeakPolarHBondContact CG1-O 3.25Å; I43-K55 PolarHBondContact N-O 2.9Å; I43-K55 PolarHBondContact O-N 3.28Å; I43-F57 HydrophobicContact CG2-CB 4.42Å
44H97.7Very high95.8Very high13 Ų1347.7 Ų47.76%0.0626%0.256CS..EExtended strand (participates in β ladder)trans-80125.4176.2-174.9-150.3000109.7T20 Y21 V22 W24 P51 I53T20-H44 WeakPolarHBondContact O-CB 3.27Å; T20-H44 PolarHBondContact OG1-N 3.43Å; Y21-H44 HydrophobicContact CD1-CB 3.7Å; Y21-H44 HydrophobicContact CD2-CB 4.3Å; Y21-H44 HydrophobicContact CE1-CB 3.8Å; Y21-H44 HydrophobicContact CE2-CB 4.39Å; Y21-H44 HydrophobicContact CG-CB 3.92Å; V22-H44 PolarHBondContact O-CE1 3.42Å; W24-H44 AromaticContact CE3-CD2 3.45Å; W24-H44 VanDerWaalsContact CE3-CD2 3.45Å; W24-H44 AromaticContact CE3-CG 3.9Å; W24-H44 AromaticContact CE3-NE2 3.54Å; W24-H44 AromaticContact CZ3-CD2 3.53Å; W24-H44 AromaticContact CZ3-NE2 3.86Å; H44-P51 PolarHBondContact NE2-O 3.47Å; H44-I53 PolarHBondContact CD2-O 3.43Å
45T95Very high95.8Very high43 Ų4349.3 Ų49.326%0.26426%0.26SS..  trans-134.966.7179.3590000109.7I43 I53 K55I43-T45 HydrophobicContact CD1-CG2 3.93Å; I43-T45 HydrophobicContact CG1-CG2 4.08Å; T45-I53 PolarHBondContact N-O 3.23Å; T45-I53 WeakPolarHBondContact O-CB 3.2Å; T45-I53 WeakPolarHBondContact OG1-CG2 3.42Å; T45-K55 HydrophobicContact CG2-CB 4.38Å
46P94.7Very high95.7Very high68 Ų6845.4 Ų45.444%0.44224%0.242SC..  trans-66.8151.9-173.728.6-34.1000111.6
47T92.3Very high95.6Very high75 Ų7543 Ų4346%0.4623%0.229SC..  trans-122.3168.4164.7700000109.9N49 S50 I53T47-N49 PolarHBondContact O-N 2.95Å; T47-N49 VanDerWaalsContact O-N 3.16Å; T47-S50 PolarHBondContact N-O 2.92Å; T47-S50 CarbonylContact O-C 3.55Å; T47-S50 PolarHBondContact O-N 3.33Å; T47-S50 PolarHBondContact OG1-N 2.74Å; T47-I53 HydrophobicContact CG2-CD1 4.2Å
48E89.9Confident95.4Very high194 Ų19443 Ų4391%0.90723%0.229SC*.SBendtrans-55.9-32.8179.1-66.5-177.9174.500113.1
49N91.1Very high95.2Very high150 Ų15043 Ų4380%0.80223%0.229SC*.SBendtrans-97.3-14.4-176.9-62.4-41.9000113.8T47T47-N49 PolarHBondContact O-N 2.95Å; T47-N49 VanDerWaalsContact O-N 3.16Å
50S91.1Very high95.1Very high26 Ų2640.3 Ų40.318%0.18222%0.22CC..  trans-140.686.3-177.9-570000109.2T47 D52 I53 E64T47-S50 PolarHBondContact N-O 2.92Å; T47-S50 CarbonylContact O-C 3.55Å; T47-S50 PolarHBondContact O-N 3.33Å; T47-S50 PolarHBondContact OG1-N 2.74Å; S50-D52 VanDerWaalsContact C-N 3.26Å; S50-D52 PolarHBondContact O-N 3.16Å; S50-I53 VanDerWaalsContact CB-CG1 3.42Å; S50-E64 WeakPolarHBondContact CB-OE2 3.49Å; S50-E64 PolarHBondContact OG-OE2 3.13Å
51P93.2Very high95Very high82 Ų8243.5 Ų43.553%0.53223%0.234SC..THydrogen-bonded Turntrans-74.2-14.2-172.830.1-35.7000113.5H44H44-P51 PolarHBondContact NE2-O 3.47Å
52D94.8Very high95Very high23 Ų2348.3 Ų48.312%0.12326%0.256CS..THydrogen-bonded Turntrans-111.717.6-175.671.4-38.9000113.1W24 P25 S50 A54 G65 W66W24-D52 HydrophobicContact CH2-CB 4.1Å; W24-D52 VanDerWaalsContact CH2-O 3.25Å; W24-D52 WeakPolarHBondContact CH2-O 3.49Å; W24-D52 HydrophobicContact CZ3-CB 4.02Å; W24-D52 VanDerWaalsContact CZ3-O 3.28Å; W24-D52 WeakPolarHBondContact CZ3-O 3.12Å; P25-D52 HydrophobicContact CG-CB 4.44Å; S50-D52 VanDerWaalsContact C-N 3.26Å; S50-D52 PolarHBondContact O-N 3.16Å; D52-A54 PolarHBondContact O-N 3.24Å; D52-G65 VanDerWaalsContact OD2-CA 3.23Å; D52-G65 WeakPolarHBondContact OD2-CA 3.38Å; D52-G65 PolarHBondContact OD2-N 3Å; D52-W66 VanDerWaalsContact O-CD1 3.25Å; D52-W66 PolarHBondContact OD2-N 3.38Å
53I97Very high95Very high18 Ų1849.2 Ų49.29%0.09226%0.261CS..  trans-62.4124.9174.4-68.7173.8000110H44 T45 T47 S50 E64H44-I53 PolarHBondContact CD2-O 3.43Å; T45-I53 PolarHBondContact N-O 3.23Å; T45-I53 WeakPolarHBondContact O-CB 3.2Å; T45-I53 WeakPolarHBondContact OG1-CG2 3.42Å; T47-I53 HydrophobicContact CG2-CD1 4.2Å; S50-I53 VanDerWaalsContact CB-CG1 3.42Å; I53-E64 HydrophobicContact CG1-CB 3.87Å
54A97.7Very high94.9Very high0 Ų053.8 Ų53.80%028%0.282CS..EExtended strand (participates in β ladder)trans-120.3136.7171.500000110.7W24 M37 F42 I43 D52 E62 L63 W66W24-A54 HydrophobicContact CH2-CB 4.27Å; M37-A54 HydrophobicContact CE-CB 3.26Å; F42-A54 HydrophobicContact CB-CB 4.08Å; F42-A54 HydrophobicContact CD1-CB 4.08Å; F42-A54 HydrophobicContact CG-CB 4.24Å; I43-A54 CarbonylContact O-C 3.46Å; I43-A54 WeakPolarHBondContact O-CA 3.32Å; D52-A54 PolarHBondContact O-N 3.24Å; A54-E62 WeakPolarHBondContact O-CA 3.47Å; A54-L63 PolarHBondContact N-O 2.82Å; A54-L63 PolarHBondContact O-N 2.6Å; A54-W66 HydrophobicContact CB-CZ2 4.28Å
55K97.3Very high94.9Very high53 Ų5355.6 Ų55.623%0.2330%0.304CS..EExtended strand (participates in β ladder)trans-123.8130.2-176.4-177-179.4-50.2-160.50111F42 I43 T45 F57 K61 E62F42-K55 CarbonylContact C-O 3.36Å; F42-K55 WeakPolarHBondContact CA-O 3.41Å; I43-K55 HydrophobicContact CG1-CB 4.23Å; I43-K55 WeakPolarHBondContact CG1-O 3.25Å; I43-K55 PolarHBondContact N-O 2.9Å; I43-K55 PolarHBondContact O-N 3.28Å; T45-K55 HydrophobicContact CG2-CB 4.38Å; K55-F57 PolarHBondContact O-N 3.12Å; K55-K61 CarbonylContact C-O 3.49Å; K55-K61 WeakPolarHBondContact CA-O 2.84Å; K55-E62 HydrophobicContact CB-CG 4.05Å; K55-E62 HydrophobicContact CD-CG 4.21Å; K55-E62 WeakPolarHBondContact CE-OE1 3.26Å; K55-E62 HydrophobicContact CG-CG 3.9Å; K55-E62 IonicContact NZ-OE1 2.75Å; K55-E62 PolarHBondContact NZ-OE1 2.84Å
56C97.2Very high95Very high0 Ų054.2 Ų54.20%029%0.294CS..EExtended strand (participates in β ladder)trans-68.4123.5171.2176.80000110.5G41 F42 F58 C59 L60 K61 H76G41-C56 VanDerWaalsContact O-CA 3.29Å; G41-C56 WeakPolarHBondContact O-CA 3.4Å; F42-C56 HydrophobicContact CD1-CB 4.28Å; F42-C56 HydrophobicContact CE1-CB 4.2Å; C56-F58 PolarHBondContact O-N 2.79Å; C56-F58 VanDerWaalsContact O-N 3.1Å; C56-F58 PolarHBondContact SG-N 3.04Å; C56-C59 WeakPolarHBondContact CB-SG 3.34Å; C56-C59 PolarHBondContact SG-N 3.2Å; C56-C59 VanDerWaalsContact SG-SG 3.64Å; C56-L60 WeakPolarHBondContact O-CA 3.16Å; C56-L60 PolarHBondContact O-N 2.93Å; C56-K61 PolarHBondContact N-O 3.16Å; C56-H76 PolarHBondContact SG-CE1 3.05Å
57F94.8Very high95.1Very high9 Ų956.5 Ų56.54%0.03930%0.299CS..THydrogen-bonded Turntrans-63.2-19.4178.985.9-79.9000113.7M11 Y12 G41 I43 K55 F85 K107M11-F57 HydrophobicContact CB-CB 3.83Å; M11-F57 HydrophobicContact CB-CD2 3.47Å; M11-F57 VanDerWaalsContact CB-CD2 3.47Å; M11-F57 HydrophobicContact CB-CE2 4.28Å; M11-F57 HydrophobicContact CB-CG 3.82Å; M11-F57 HydrophobicContact CG-CB 4.4Å; Y12-F57 AromaticContact CD1-CE2 3.86Å; Y12-F57 HydrophobicContact CD1-CE2 3.86Å; Y12-F57 AromaticContact CD1-CZ 3.93Å; Y12-F57 HydrophobicContact CD1-CZ 3.93Å; Y12-F57 AromaticContact CD2-CE2 3.68Å; Y12-F57 HydrophobicContact CD2-CE2 3.68Å; Y12-F57 AromaticContact CE1-CE2 3.89Å; Y12-F57 HydrophobicContact CE1-CE2 3.89Å; Y12-F57 HydrophobicContact CE1-CZ 4.09Å; Y12-F57 HydrophobicContact CE2-CD2 4.46Å; Y12-F57 AromaticContact CE2-CE2 3.69Å; Y12-F57 HydrophobicContact CE2-CE2 3.69Å; Y12-F57 AromaticContact CG-CE2 3.75Å; Y12-F57 HydrophobicContact CG-CE2 3.75Å; Y12-F57 HydrophobicContact CG-CZ 4.16Å; Y12-F57 AromaticContact CZ-CE2 3.79Å; G41-F57 WeakPolarHBondContact O-CD1 3.47Å; G41-F57 PolarHBondContact O-N 2.88Å; G41-F57 VanDerWaalsContact O-N 3.1Å; I43-F57 HydrophobicContact CG2-CB 4.42Å; K55-F57 PolarHBondContact O-N 3.12Å; F57-F85 AromaticContact CE1-CD1 3.99Å; F57-F85 HydrophobicContact CE1-CD1 3.99Å; F57-F85 AromaticContact CE1-CD2 3.59Å; F57-F85 HydrophobicContact CE1-CD2 3.59Å; F57-F85 AromaticContact CE1-CE1 3.96Å; F57-F85 HydrophobicContact CE1-CE1 3.96Å; F57-F85 AromaticContact CE1-CE2 3.53Å; F57-F85 HydrophobicContact CE1-CE2 3.53Å; F57-F85 AromaticContact CE1-CG 3.82Å; F57-F85 HydrophobicContact CE1-CG 3.82Å; F57-F85 AromaticContact CE1-CZ 3.72Å; F57-F85 HydrophobicContact CE1-CZ 3.72Å; F57-F85 AromaticContact CZ-CD2 3.49Å; F57-F85 HydrophobicContact CZ-CD2 3.49Å; F57-F85 VanDerWaalsContact CZ-CD2 3.49Å; F57-F85 AromaticContact CZ-CE2 3.56Å; F57-F85 HydrophobicContact CZ-CE2 3.56Å; F57-F85 HydrophobicContact CZ-CG 4.1Å; F57-F85 HydrophobicContact CZ-CZ 4.22Å; F57-K107 PolarHBondContact O-NZ 3.28Å
58F94.5Very high95.4Very high0 Ų056 Ų560%030%0.297CS..THydrogen-bonded Turntrans-94-63.8-176.1-167.7-84.3000111.8Y12 C56 N84 F85 L103 K107 H111Y12-F58 HydrophobicContact CE1-CD2 4.22Å; Y12-F58 HydrophobicContact CE1-CE2 4.34Å; Y12-F58 WeakPolarHBondContact OH-CE2 3.41Å; C56-F58 PolarHBondContact O-N 2.79Å; C56-F58 VanDerWaalsContact O-N 3.1Å; C56-F58 PolarHBondContact SG-N 3.04Å; F58-N84 HydrophobicContact CE1-CB 3.79Å; F58-N84 HydrophobicContact CZ-CB 3.85Å; F58-F85 HydrophobicContact CB-CB 3.67Å; F58-F85 HydrophobicContact CB-CG 4.31Å; F58-F85 HydrophobicContact CD1-CB 4.08Å; F58-F85 HydrophobicContact CD2-CB 3.88Å; F58-F85 HydrophobicContact CG-CB 3.6Å; F58-L103 HydrophobicContact CE2-CD1 3.53Å; F58-L103 HydrophobicContact CE2-CG 3.76Å; F58-L103 HydrophobicContact CZ-CD1 3.63Å; F58-L103 HydrophobicContact CZ-CG 4.27Å; F58-K107 HydrophobicContact CD1-CG 4.4Å; F58-K107 HydrophobicContact CD2-CB 4.27Å; F58-K107 HydrophobicContact CD2-CD 3.83Å; F58-K107 HydrophobicContact CD2-CG 4.12Å; F58-K107 HydrophobicContact CE1-CB 3.99Å; F58-K107 HydrophobicContact CE1-CG 4.21Å; F58-K107 HydrophobicContact CE2-CB 3.56Å; F58-K107 HydrophobicContact CE2-CD 3.92Å; F58-K107 HydrophobicContact CE2-CG 3.93Å; F58-K107 HydrophobicContact CG-CD 4.33Å; F58-K107 HydrophobicContact CG-CG 4.36Å; F58-K107 HydrophobicContact CZ-CB 3.4Å; F58-K107 HydrophobicContact CZ-CD 4.48Å; F58-K107 HydrophobicContact CZ-CG 3.98Å; F58-H111 PolarHBondContact O-NE2 2.85Å
59C94.5Very high95.8Very high0 Ų052.5 Ų52.50%029%0.285CS..THydrogen-bonded Turntrans-89.5-6.6-176.569.50000113.9C56 K61 S80 C83 F110 K114C56-C59 WeakPolarHBondContact CB-SG 3.34Å; C56-C59 PolarHBondContact SG-N 3.2Å; C56-C59 VanDerWaalsContact SG-SG 3.64Å; C59-K61 PolarHBondContact O-N 3.25Å; C59-K61 VanDerWaalsContact SG-CB 3.57Å; C59-S80 PolarHBondContact SG-OG 3.15Å; C59-S80 VanDerWaalsContact SG-OG 3.39Å; C59-C83 HydrophobicContact CB-CB 3.93Å; C59-F110 HydrophobicContact CB-CD1 4.24Å; C59-F110 HydrophobicContact CB-CE1 3.59Å; C59-F110 HydrophobicContact CB-CZ 3.83Å; C59-F110 WeakPolarHBondContact O-CE1 3.48Å; C59-K114 PolarHBondContact O-NZ 2.95Å
60L93.9Very high96.1Very high66 Ų6647.1 Ų47.135%0.34626%0.256SS..  trans58.427.7-178.8-47.1177.1000113C56 K114C56-L60 WeakPolarHBondContact O-CA 3.16Å; C56-L60 PolarHBondContact O-N 2.93Å; L60-K114 PolarHBondContact O-NZ 2.88Å; L60-K114 VanDerWaalsContact O-NZ 3.12Å
61K95.6Very high96.4Very high71 Ų7148.4 Ų48.431%0.30926%0.261SS..  trans-76.8122.2169.5-178.356.6172.9156.50108K55 C56 C59 L63 H79K55-K61 CarbonylContact C-O 3.49Å; K55-K61 WeakPolarHBondContact CA-O 2.84Å; C56-K61 PolarHBondContact N-O 3.16Å; C59-K61 PolarHBondContact O-N 3.25Å; C59-K61 VanDerWaalsContact SG-CB 3.57Å; K61-L63 HydrophobicContact CG-CD2 4.33Å; K61-L63 HydrophobicContact CG-CG 4.48Å; K61-H79 HydrophobicContact CG-CB 4.28Å
62E96.7Very high96.7Very high100 Ų10044.8 Ų44.847%0.46724%0.237SC..EExtended strand (participates in β ladder)trans-93.2139.5171.4-70.8170.7-176.700109.3A54 K55A54-E62 WeakPolarHBondContact O-CA 3.47Å; K55-E62 HydrophobicContact CB-CG 4.05Å; K55-E62 HydrophobicContact CD-CG 4.21Å; K55-E62 WeakPolarHBondContact CE-OE1 3.26Å; K55-E62 HydrophobicContact CG-CG 3.9Å; K55-E62 IonicContact NZ-OE1 2.75Å; K55-E62 PolarHBondContact NZ-OE1 2.84Å
63L97.8Very high96.8Very high21 Ų2148 Ų4811%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-135.7142.6172.6-60179000108.4F42 A54 K61 W66 E75 H79F42-L63 HydrophobicContact CE1-CD1 3.99Å; F42-L63 HydrophobicContact CE1-CG 4.3Å; F42-L63 HydrophobicContact CZ-CD1 3.6Å; F42-L63 HydrophobicContact CZ-CG 4.39Å; A54-L63 PolarHBondContact N-O 2.82Å; A54-L63 PolarHBondContact O-N 2.6Å; K61-L63 HydrophobicContact CG-CD2 4.33Å; K61-L63 HydrophobicContact CG-CG 4.48Å; L63-W66 HydrophobicContact CB-CZ2 3.9Å; L63-W66 HydrophobicContact CD1-CH2 4.18Å; L63-W66 HydrophobicContact CD1-CZ2 3.87Å; L63-W66 PolarHBondContact O-NE1 2.8Å; L63-E75 HydrophobicContact CD1-CB 4.16Å; L63-H79 HydrophobicContact CD1-CB 4.43Å; L63-H79 HydrophobicContact CD2-CB 3.89Å
64E96.6Very high96.9Very high117 Ų11753.7 Ų53.755%0.54728%0.275SS..  trans-143168176.770.9-178.4170.500108.5S50 I53S50-E64 WeakPolarHBondContact CB-OE2 3.49Å; S50-E64 PolarHBondContact OG-OE2 3.13Å; I53-E64 HydrophobicContact CG1-CB 3.87Å
65G96.4Very high96.9Very high52 Ų5256.1 Ų56.154%0.53629%0.287SS..  trans76.639-175.100000112.5D52D52-G65 VanDerWaalsContact OD2-CA 3.23Å; D52-G65 WeakPolarHBondContact OD2-CA 3.38Å; D52-G65 PolarHBondContact OD2-N 3Å
66W97.9Very high97Very high14 Ų1453.7 Ų53.75%0.05328%0.276CS..  trans-67.1139.6179.2-71.286.1000110.8W24 F26 C32 M37 F42 D52 A54 L63 D70 P72 E75W24-W66 HydrophobicContact CH2-CB 4.4Å; W24-W66 AromaticContact CH2-CD1 3.6Å; W24-W66 AromaticContact CH2-CG 3.94Å; W24-W66 HydrophobicContact CH2-CG 3.94Å; W24-W66 HydrophobicContact CZ2-CB 4.24Å; W24-W66 HydrophobicContact CZ2-CG 4.03Å; F26-W66 HydrophobicContact CD2-CB 4.21Å; F26-W66 HydrophobicContact CE2-CB 3.68Å; F26-W66 WeakPolarHBondContact CE2-O 3.35Å; F26-W66 WeakPolarHBondContact CZ-O 3.44Å; C32-W66 HydrophobicContact CB-CE3 3.95Å; C32-W66 HydrophobicContact CB-CZ3 4.49Å; M37-W66 HydrophobicContact CE-CD2 3.81Å; M37-W66 HydrophobicContact CE-CE3 4.23Å; M37-W66 HydrophobicContact CE-CG 4.46Å; M37-W66 HydrophobicContact CE-CH2 3.84Å; M37-W66 HydrophobicContact CE-CZ2 3.36Å; M37-W66 HydrophobicContact CE-CZ3 4.25Å; M37-W66 HydrophobicContact SD-CD2 4.1Å; M37-W66 HydrophobicContact SD-CE3 3.9Å; M37-W66 HydrophobicContact SD-CH2 3.6Å; M37-W66 HydrophobicContact SD-CZ2 3.81Å; M37-W66 HydrophobicContact SD-CZ3 3.65Å; F42-W66 HydrophobicContact CD2-CH2 4.26Å; F42-W66 HydrophobicContact CD2-CZ2 4.32Å; F42-W66 HydrophobicContact CE1-CZ2 4.48Å; F42-W66 AromaticContact CE2-CH2 3.85Å; F42-W66 HydrophobicContact CE2-CH2 3.85Å; F42-W66 HydrophobicContact CE2-CZ2 4.07Å; F42-W66 HydrophobicContact CZ-CH2 4.27Å; F42-W66 HydrophobicContact CZ-CZ2 4.18Å; D52-W66 VanDerWaalsContact O-CD1 3.25Å; D52-W66 PolarHBondContact OD2-N 3.38Å; A54-W66 HydrophobicContact CB-CZ2 4.28Å; L63-W66 HydrophobicContact CB-CZ2 3.9Å; L63-W66 HydrophobicContact CD1-CH2 4.18Å; L63-W66 HydrophobicContact CD1-CZ2 3.87Å; L63-W66 PolarHBondContact O-NE1 2.8Å; W66-D70 HydrophobicContact CE3-CB 3.71Å; W66-D70 HydrophobicContact CZ3-CB 4.01Å; W66-P72 HydrophobicContact CH2-CB 4.12Å; W66-P72 HydrophobicContact CZ3-CB 4.13Å; W66-P72 HydrophobicContact CZ3-CG 4.11Å; W66-E75 HydrophobicContact CH2-CB 3.89Å; W66-E75 HydrophobicContact CH2-CG 4.28Å; W66-E75 HydrophobicContact CZ3-CB 4.07Å; W66-E75 HydrophobicContact CZ3-CG 3.96Å
67E97.6Very high97Very high115 Ų11558.2 Ų58.254%0.53730%0.296SS..  trans-109.6152.3174-63.2-172.5179.600110.5C32 D69 D70C32-E67 PolarHBondContact SG-O 3.21Å; E67-D69 PolarHBondContact O-N 3.26Å; E67-D70 PolarHBondContact N-OD2 3.02Å; E67-D70 WeakPolarHBondContact O-CB 3.19Å; E67-D70 PolarHBondContact O-N 3.47Å
68P97.5Very high97.1Very high66 Ų6661.7 Ų61.743%0.42932%0.321SS..THydrogen-bonded Turntrans-53.5-29.7-176.3-29.535.7000115.3F26 C30 A31F26-P68 HydrophobicContact CD1-CB 4.36Å; F26-P68 HydrophobicContact CD1-CG 3.88Å; F26-P68 HydrophobicContact CE1-CG 3.74Å; C30-P68 CarbonylContact C-O 3.43Å; C30-P68 WeakPolarHBondContact CA-O 3.26Å; C30-P68 HydrophobicContact CB-CB 4.29Å; C30-P68 WeakPolarHBondContact CB-O 3.44Å; A31-P68 PolarHBondContact N-O 2.95Å
69D97.9Very high97.2Very high120 Ų12066 Ų6664%0.64234%0.342SS*.THydrogen-bonded Turntrans-95.6-0.9-177.158.5-44.2000114.3E67 D71E67-D69 PolarHBondContact O-N 3.26Å; D69-D71 PolarHBondContact O-N 2.95Å
70D98.3Very high97.3Very high36 Ų3666.5 Ų66.519%0.19335%0.345CS..  trans-63.2131176.1-75.5-24.4000111.6A31 C32 W66 E67 P72 E75A31-D70 CarbonylContact C-O 3.6Å; A31-D70 VanDerWaalsContact CB-O 3.23Å; A31-D70 WeakPolarHBondContact CB-O 3.29Å; C32-D70 HydrophobicContact CB-CB 4.4Å; C32-D70 WeakPolarHBondContact CB-O 3.43Å; C32-D70 PolarHBondContact N-O 3.37Å; W66-D70 HydrophobicContact CE3-CB 3.71Å; W66-D70 HydrophobicContact CZ3-CB 4.01Å; E67-D70 PolarHBondContact N-OD2 3.02Å; E67-D70 WeakPolarHBondContact O-CB 3.19Å; E67-D70 PolarHBondContact O-N 3.47Å; D70-P72 VanDerWaalsContact O-CD 3.32Å; D70-P72 WeakPolarHBondContact O-CD 3.4Å; D70-E75 HydrophobicContact CB-CG 4.35Å
71D98.3Very high97.4Very high54 Ų5467.9 Ų67.929%0.28936%0.357SS..  trans-92.3110174.4178-47.5000109D69 E73 K74 E75D69-D71 PolarHBondContact O-N 2.95Å; D71-E73 PolarHBondContact O-N 3.37Å; D71-E73 VanDerWaalsContact O-N 3.15Å; D71-E73 WeakPolarHBondContact OD1-CB 3.35Å; D71-E73 PolarHBondContact OD1-N 2.93Å; D71-K74 HydrophobicContact CB-CB 3.99Å; D71-K74 HydrophobicContact CB-CD 3.83Å; D71-K74 HydrophobicContact CB-CG 3.98Å; D71-K74 PolarHBondContact O-N 3.28Å; D71-K74 VanDerWaalsContact O-N 3.09Å; D71-K74 PolarHBondContact OD1-N 3.1Å; D71-K74 VanDerWaalsContact OD2-CE 3.25Å; D71-K74 WeakPolarHBondContact OD2-CE 3.34Å; D71-K74 IonicContact OD2-NZ 3.43Å; D71-K74 PolarHBondContact OD2-NZ 2.89Å; D71-E75 WeakPolarHBondContact O-CG 3.48Å; D71-E75 PolarHBondContact O-N 3.1Å
72P98.3Very high97.3Very high5 Ų568.1 Ų68.13%0.03237%0.368CS..Hα-helixtrans-61.4-30.6-173.1-27.238.3000113.8C32 N36 M37 A40 F42 W66 D70 H76C32-P72 HydrophobicContact CB-CG 4.24Å; N36-P72 HydrophobicContact CB-CG 4.13Å; M37-P72 HydrophobicContact CG-CB 4.48Å; M37-P72 HydrophobicContact CG-CG 3.97Å; M37-P72 HydrophobicContact SD-CB 3.6Å; M37-P72 HydrophobicContact SD-CG 3.38Å; M37-P72 WeakPolarHBondContact SD-CG 3.29Å; A40-P72 HydrophobicContact CB-CB 3.62Å; F42-P72 HydrophobicContact CD2-CB 4.31Å; F42-P72 HydrophobicContact CE2-CB 4.41Å; F42-P72 WeakPolarHBondContact CE2-O 3.45Å; W66-P72 HydrophobicContact CH2-CB 4.12Å; W66-P72 HydrophobicContact CZ3-CB 4.13Å; W66-P72 HydrophobicContact CZ3-CG 4.11Å; D70-P72 VanDerWaalsContact O-CD 3.32Å; D70-P72 WeakPolarHBondContact O-CD 3.4Å; P72-H76 VanDerWaalsContact O-CB 3.24Å; P72-H76 WeakPolarHBondContact O-CB 3.42Å; P72-H76 PolarHBondContact O-N 2.79Å
73E97.8Very high97.2Very high92 Ų9263.3 Ų63.343%0.4335%0.346SS..Hα-helixtrans-72.4-41.4178.1176.2173179.800111.2A40 D71 K77 I86A40-E73 HydrophobicContact CB-CB 4.49Å; D71-E73 PolarHBondContact O-N 3.37Å; D71-E73 VanDerWaalsContact O-N 3.15Å; D71-E73 WeakPolarHBondContact OD1-CB 3.35Å; D71-E73 PolarHBondContact OD1-N 2.93Å; E73-K77 HydrophobicContact CG-CD 4.27Å; E73-K77 WeakPolarHBondContact O-CB 3.47Å; E73-K77 VanDerWaalsContact O-CG 3.32Å; E73-K77 WeakPolarHBondContact O-CG 3.31Å; E73-K77 PolarHBondContact O-N 3.13Å; E73-K77 VanDerWaalsContact OE1-CE 3.27Å; E73-K77 WeakPolarHBondContact OE1-CE 3.17Å; E73-K77 IonicContact OE1-NZ 2.74Å; E73-K77 PolarHBondContact OE1-NZ 3.38Å; E73-I86 HydrophobicContact CB-CD1 4.36Å; E73-I86 HydrophobicContact CG-CD1 3.89Å; E73-I86 HydrophobicContact CG-CG1 4.23Å
74K98.1Very high97.1Very high136 Ų13665 Ų6559%0.59136%0.355SS*.Hα-helixtrans-65.3-45.8174.7-68.6179.8-163.7153.10111.4D71 H76 K77 S78D71-K74 HydrophobicContact CB-CB 3.99Å; D71-K74 HydrophobicContact CB-CD 3.83Å; D71-K74 HydrophobicContact CB-CG 3.98Å; D71-K74 PolarHBondContact O-N 3.28Å; D71-K74 VanDerWaalsContact O-N 3.09Å; D71-K74 PolarHBondContact OD1-N 3.1Å; D71-K74 VanDerWaalsContact OD2-CE 3.25Å; D71-K74 WeakPolarHBondContact OD2-CE 3.34Å; D71-K74 IonicContact OD2-NZ 3.43Å; D71-K74 PolarHBondContact OD2-NZ 2.89Å; K74-H76 VanDerWaalsContact C-N 3.32Å; K74-H76 PolarHBondContact O-N 3.33Å; K74-K77 PolarHBondContact O-N 3.17Å; K74-S78 WeakPolarHBondContact O-CB 3.48Å; K74-S78 PolarHBondContact O-N 2.97Å
75E98.5Very high97Very high52 Ų5260.3 Ų60.324%0.24333%0.333CS..Hα-helixtrans-59.3-45.3177.7-72.4-47.9118.400111.2L63 W66 D70 D71 K77 S78 H79L63-E75 HydrophobicContact CD1-CB 4.16Å; W66-E75 HydrophobicContact CH2-CB 3.89Å; W66-E75 HydrophobicContact CH2-CG 4.28Å; W66-E75 HydrophobicContact CZ3-CB 4.07Å; W66-E75 HydrophobicContact CZ3-CG 3.96Å; D70-E75 HydrophobicContact CB-CG 4.35Å; D71-E75 WeakPolarHBondContact O-CG 3.48Å; D71-E75 PolarHBondContact O-N 3.1Å; E75-K77 PolarHBondContact O-N 3.34Å; E75-S78 PolarHBondContact O-N 2.77Å; E75-H79 WeakPolarHBondContact O-CB 2.97Å; E75-H79 PolarHBondContact O-CD2 2.96Å; E75-H79 PolarHBondContact O-N 3.47Å; E75-H79 IonicContact OE2-CD2 2.6Å; E75-H79 PolarHBondContact OE2-CD2 3.43Å; E75-H79 IonicContact OE2-NE2 3.46Å; E75-H79 PolarHBondContact OE2-NE2 3.31Å
76H98.2Very high97Very high1 Ų158.6 Ų58.61%0.00531%0.311CS..Hα-helixtrans-60.6-46.7175.5-166.4165.5000112A40 F42 C56 P72 K74 S78 H79 S80 C83 I86A40-H76 PolarHBondContact O-CE1 3.1Å; A40-H76 PolarHBondContact O-ND1 2.93Å; F42-H76 HydrophobicContact CE2-CB 3.77Å; F42-H76 HydrophobicContact CZ-CB 3.8Å; F42-H76 AromaticContact CZ-CG 3.97Å; C56-H76 PolarHBondContact SG-CE1 3.05Å; P72-H76 VanDerWaalsContact O-CB 3.24Å; P72-H76 WeakPolarHBondContact O-CB 3.42Å; P72-H76 PolarHBondContact O-N 2.79Å; K74-H76 VanDerWaalsContact C-N 3.32Å; K74-H76 PolarHBondContact O-N 3.33Å; H76-S78 VanDerWaalsContact C-N 3.32Å; H76-S78 PolarHBondContact O-N 3.49Å; H76-H79 PolarHBondContact O-N 3.2Å; H76-S80 CarbonylContact O-C 3.55Å; H76-S80 WeakPolarHBondContact O-CA 3.48Å; H76-S80 PolarHBondContact O-N 2.99Å; H76-C83 WeakPolarHBondContact NE2-CB 3.23Å; H76-C83 PolarHBondContact NE2-SG 2.96Å; H76-I86 HydrophobicContact CB-CD1 4.42Å; H76-I86 HydrophobicContact CB-CG1 4.15Å
77K97.5Very high96.7Very high95 Ų9561.3 Ų61.341%0.41333%0.332SS..Hα-helixtrans-64.3-36.8178.8-74.1174.1-173.2170.30112.3E73 K74 E75 P81 I86E73-K77 HydrophobicContact CG-CD 4.27Å; E73-K77 WeakPolarHBondContact O-CB 3.47Å; E73-K77 VanDerWaalsContact O-CG 3.32Å; E73-K77 WeakPolarHBondContact O-CG 3.31Å; E73-K77 PolarHBondContact O-N 3.13Å; E73-K77 VanDerWaalsContact OE1-CE 3.27Å; E73-K77 WeakPolarHBondContact OE1-CE 3.17Å; E73-K77 IonicContact OE1-NZ 2.74Å; E73-K77 PolarHBondContact OE1-NZ 3.38Å; K74-K77 PolarHBondContact O-N 3.17Å; E75-K77 PolarHBondContact O-N 3.34Å; K77-P81 WeakPolarHBondContact O-CA 3.46Å; K77-P81 VanDerWaalsContact O-CB 3.29Å; K77-P81 WeakPolarHBondContact O-CB 3.44Å; K77-P81 WeakPolarHBondContact O-CD 3.49Å; K77-I86 HydrophobicContact CG-CG1 3.97Å; K77-I86 HydrophobicContact CG-CG2 4.14Å
78S97.8Very high96.5Very high83 Ų8358.6 Ų58.658%0.5832%0.321SS*.Hα-helixtrans-65.8-49.8177.1-176.40000111.2K74 E75 H76K74-S78 WeakPolarHBondContact O-CB 3.48Å; K74-S78 PolarHBondContact O-N 2.97Å; E75-S78 PolarHBondContact O-N 2.77Å; H76-S78 VanDerWaalsContact C-N 3.32Å; H76-S78 PolarHBondContact O-N 3.49Å
79H97.1Very high96.1Very high91 Ų9165.6 Ų65.642%0.42135%0.345SS..Hα-helixtrans-87.1-18-172-76.6-73.8000115.1K61 L63 E75 H76K61-H79 HydrophobicContact CG-CB 4.28Å; L63-H79 HydrophobicContact CD1-CB 4.43Å; L63-H79 HydrophobicContact CD2-CB 3.89Å; E75-H79 WeakPolarHBondContact O-CB 2.97Å; E75-H79 PolarHBondContact O-CD2 2.96Å; E75-H79 PolarHBondContact O-N 3.47Å; E75-H79 IonicContact OE2-CD2 2.6Å; E75-H79 PolarHBondContact OE2-CD2 3.43Å; E75-H79 IonicContact OE2-NE2 3.46Å; E75-H79 PolarHBondContact OE2-NE2 3.31Å; H76-H79 PolarHBondContact O-N 3.2Å
80S95.9Very high95.7Very high9 Ų964.7 Ų64.76%0.06334%0.335CS..  trans-148.364.8176.7-179.20000111.5C59 H76 S82 C83C59-S80 PolarHBondContact SG-OG 3.15Å; C59-S80 VanDerWaalsContact SG-OG 3.39Å; H76-S80 CarbonylContact O-C 3.55Å; H76-S80 WeakPolarHBondContact O-CA 3.48Å; H76-S80 PolarHBondContact O-N 2.99Å; S80-S82 PolarHBondContact O-N 3.06Å; S80-C83 VanDerWaalsContact O-CB 3.29Å; S80-C83 WeakPolarHBondContact O-CB 3.38Å; S80-C83 PolarHBondContact O-N 2.98Å
81P95Very high95.3Very high95 Ų9565.6 Ų65.662%0.61734%0.344SS*.THydrogen-bonded Turntrans-61.9-18.1-174.423.6-34.9000114.4K77K77-P81 WeakPolarHBondContact O-CA 3.46Å; K77-P81 VanDerWaalsContact O-CB 3.29Å; K77-P81 WeakPolarHBondContact O-CB 3.44Å; K77-P81 WeakPolarHBondContact O-CD 3.49Å
82S93.4Very high94.9Very high76 Ų7664.3 Ų64.353%0.53134%0.338SS..THydrogen-bonded Turntrans-93.17.217848.70000113.8S80 N84S80-S82 PolarHBondContact O-N 3.06Å; S82-N84 PolarHBondContact O-N 3.4Å
83C95.8Very high94.5Very high0 Ų069.9 Ų69.90%037%0.368CS..  trans-69.3118.7175.8-179.70000110.7C59 H76 S80 F85 I86 S87C59-C83 HydrophobicContact CB-CB 3.93Å; H76-C83 WeakPolarHBondContact NE2-CB 3.23Å; H76-C83 PolarHBondContact NE2-SG 2.96Å; S80-C83 VanDerWaalsContact O-CB 3.29Å; S80-C83 WeakPolarHBondContact O-CB 3.38Å; S80-C83 PolarHBondContact O-N 2.98Å; C83-F85 VanDerWaalsContact C-N 3.27Å; C83-F85 PolarHBondContact O-N 2.73Å; C83-I86 HydrophobicContact CB-CG2 3.93Å; C83-S87 PolarHBondContact O-N 3.27Å; C83-S87 PolarHBondContact O-OG 3.4Å
84N95.2Very high94.3Very high57 Ų5770.7 Ų70.731%0.30538%0.375SS..THydrogen-bonded Turntrans-68.5-25.4179.9-63.390.1000113.2F58 S82 L88 L103F58-N84 HydrophobicContact CE1-CB 3.79Å; F58-N84 HydrophobicContact CZ-CB 3.85Å; S82-N84 PolarHBondContact O-N 3.4Å; N84-L88 WeakPolarHBondContact O-CG 3.39Å; N84-L88 PolarHBondContact O-N 3.06Å; N84-L103 HydrophobicContact CB-CD1 3.96Å
85F95.7Very high94.1Very high17 Ų1765.6 Ų65.68%0.07535%0.354CS..THydrogen-bonded Turntrans-68-51.5179.1178.5-94.6000112.1F57 F58 C83 S87 L88 V92F57-F85 AromaticContact CE1-CD1 3.99Å; F57-F85 HydrophobicContact CE1-CD1 3.99Å; F57-F85 AromaticContact CE1-CD2 3.59Å; F57-F85 HydrophobicContact CE1-CD2 3.59Å; F57-F85 AromaticContact CE1-CE1 3.96Å; F57-F85 HydrophobicContact CE1-CE1 3.96Å; F57-F85 AromaticContact CE1-CE2 3.53Å; F57-F85 HydrophobicContact CE1-CE2 3.53Å; F57-F85 AromaticContact CE1-CG 3.82Å; F57-F85 HydrophobicContact CE1-CG 3.82Å; F57-F85 AromaticContact CE1-CZ 3.72Å; F57-F85 HydrophobicContact CE1-CZ 3.72Å; F57-F85 AromaticContact CZ-CD2 3.49Å; F57-F85 HydrophobicContact CZ-CD2 3.49Å; F57-F85 VanDerWaalsContact CZ-CD2 3.49Å; F57-F85 AromaticContact CZ-CE2 3.56Å; F57-F85 HydrophobicContact CZ-CE2 3.56Å; F57-F85 HydrophobicContact CZ-CG 4.1Å; F57-F85 HydrophobicContact CZ-CZ 4.22Å; F58-F85 HydrophobicContact CB-CB 3.67Å; F58-F85 HydrophobicContact CB-CG 4.31Å; F58-F85 HydrophobicContact CD1-CB 4.08Å; F58-F85 HydrophobicContact CD2-CB 3.88Å; F58-F85 HydrophobicContact CG-CB 3.6Å; C83-F85 VanDerWaalsContact C-N 3.27Å; C83-F85 PolarHBondContact O-N 2.73Å; F85-S87 PolarHBondContact O-N 2.86Å; F85-S87 VanDerWaalsContact O-N 3.17Å; F85-L88 HydrophobicContact CD2-CD1 3.94Å; F85-L88 HydrophobicContact CE2-CD1 4.38Å; F85-L88 VanDerWaalsContact O-CB 3.29Å; F85-L88 WeakPolarHBondContact O-CB 3.23Å; F85-L88 WeakPolarHBondContact O-CG 3.32Å; F85-L88 PolarHBondContact O-N 2.75Å; F85-V92 HydrophobicContact CE2-CG2 3.88Å
86I94.8Very high94Very high17 Ų1766.7 Ų66.79%0.08736%0.364CS..THydrogen-bonded Turntrans-68.5-16-179.6-15859.5000112.9A40 E73 H76 K77 C83A40-I86 HydrophobicContact CB-CD1 4.31Å; E73-I86 HydrophobicContact CB-CD1 4.36Å; E73-I86 HydrophobicContact CG-CD1 3.89Å; E73-I86 HydrophobicContact CG-CG1 4.23Å; H76-I86 HydrophobicContact CB-CD1 4.42Å; H76-I86 HydrophobicContact CB-CG1 4.15Å; K77-I86 HydrophobicContact CG-CG1 3.97Å; K77-I86 HydrophobicContact CG-CG2 4.14Å; C83-I86 HydrophobicContact CB-CG2 3.93Å
87S92.6Very high93.8Very high71 Ų7172 Ų7250%0.49740%0.397SS..THydrogen-bonded Turntrans-90.5-1.3175.9-56.70000113.4C83 F85C83-S87 PolarHBondContact O-N 3.27Å; C83-S87 PolarHBondContact O-OG 3.4Å; F85-S87 PolarHBondContact O-N 2.86Å; F85-S87 VanDerWaalsContact O-N 3.17Å
88L92.4Very high93.7Very high58 Ų5875 Ų7530%0.30441%0.412SS..  trans-64.7135.7178.9-74.2172.3000110.8N84 F85 V92 L103N84-L88 WeakPolarHBondContact O-CG 3.39Å; N84-L88 PolarHBondContact O-N 3.06Å; F85-L88 HydrophobicContact CD2-CD1 3.94Å; F85-L88 HydrophobicContact CE2-CD1 4.38Å; F85-L88 VanDerWaalsContact O-CB 3.29Å; F85-L88 WeakPolarHBondContact O-CB 3.23Å; F85-L88 WeakPolarHBondContact O-CG 3.32Å; F85-L88 PolarHBondContact O-N 2.75Å; L88-V92 HydrophobicContact CD1-CG2 4.46Å; L88-L103 HydrophobicContact CD1-CD1 4.48Å; L88-L103 HydrophobicContact CD1-CD2 3.78Å; L88-L103 HydrophobicContact CD2-CD1 4.24Å; L88-L103 HydrophobicContact CD2-CD2 4.32Å
89K89.1Confident93.6Very high213 Ų21374.1 Ų74.193%0.92640%0.399SS*.SBendtrans-92.1-10175.5-60.4-174.6-180-176.40113.5
90K90.7Very high93.4Very high101 Ų10172.3 Ų72.344%0.43939%0.39SS..SBendtrans-125.7149.5-178.1-65.3179.4-179.6175.70108.5D94 L95 E99K90-D94 HydrophobicContact CB-CB 4.47Å; K90-L95 HydrophobicContact CB-CD2 4.02Å; K90-L95 HydrophobicContact CD-CD2 4.29Å; K90-E99 IonicContact NZ-OE1 3.33Å; K90-E99 PolarHBondContact NZ-OE1 3.04Å; K90-E99 IonicContact NZ-OE2 3.42Å; K90-E99 PolarHBondContact NZ-OE2 3.22Å
91S88.9Confident93.3Very high55 Ų5576.2 Ų76.239%0.38541%0.41SS..  trans-63.9154.216989.10000109.4N93 D94S91-N93 PolarHBondContact O-N 2.7Å; S91-N93 PolarHBondContact OG-N 2.87Å; S91-D94 WeakPolarHBondContact CB-OD2 3.49Å; S91-D94 PolarHBondContact O-N 3.42Å; S91-D94 VanDerWaalsContact O-N 3.08Å; S91-D94 PolarHBondContact OG-N 3.41Å; S91-D94 PolarHBondContact OG-OD2 2.91Å
92V90.1Very high93.2Very high26 Ų2678.5 Ų78.516%0.15841%0.41CS..G310 helixtrans-57.1-36176.3174.10000111.4Y12 F85 L88 D94 L95Y12-V92 HydrophobicContact CD1-CG1 4.29Å; Y12-V92 HydrophobicContact CD1-CG2 4.3Å; F85-V92 HydrophobicContact CE2-CG2 3.88Å; L88-V92 HydrophobicContact CD1-CG2 4.46Å; V92-D94 PolarHBondContact O-N 3.05Å; V92-L95 WeakPolarHBondContact O-CB 3.47Å; V92-L95 PolarHBondContact O-N 2.79Å
93N89.7Confident93.2Very high123 Ų12375.4 Ų75.466%0.65839%0.387SS*.G310 helixtrans-66.8-21.7-178.6-63.7-21.2000112.6S91S91-N93 PolarHBondContact O-N 2.7Å; S91-N93 PolarHBondContact OG-N 2.87Å
94D93.8Very high93Very high109 Ų10976.6 Ų76.658%0.58339%0.393SS*.G310 helixtrans-96.92.8-180-53-48.8000112.9K90 S91 V92K90-D94 HydrophobicContact CB-CB 4.47Å; S91-D94 WeakPolarHBondContact CB-OD2 3.49Å; S91-D94 PolarHBondContact O-N 3.42Å; S91-D94 VanDerWaalsContact O-N 3.08Å; S91-D94 PolarHBondContact OG-N 3.41Å; S91-D94 PolarHBondContact OG-OD2 2.91Å; V92-D94 PolarHBondContact O-N 3.05Å
95L93.8Very high92.8Very high29 Ų2979.8 Ų79.815%0.15240%0.404CS..  trans-78137.7177.7-61.4180000110.5K90 V92 E99 L103K90-L95 HydrophobicContact CB-CD2 4.02Å; K90-L95 HydrophobicContact CD-CD2 4.29Å; V92-L95 WeakPolarHBondContact O-CB 3.47Å; V92-L95 PolarHBondContact O-N 2.79Å; L95-E99 WeakPolarHBondContact CA-OE2 3.25Å; L95-E99 HydrophobicContact CB-CB 4.1Å; L95-E99 HydrophobicContact CD2-CB 4.09Å; L95-L103 HydrophobicContact CD1-CD2 3.97Å
96T96.4Very high92.7Very high74 Ų7481.5 Ų81.545%0.45441%0.412SS..  trans-67.8162.2164.574.60000110.4E98 E99 F100T96-E98 PolarHBondContact O-N 3.09Å; T96-E98 PolarHBondContact OG1-N 3.15Å; T96-E99 PolarHBondContact N-OE2 2.92Å; T96-E99 PolarHBondContact O-N 2.91Å; T96-E99 VanDerWaalsContact O-N 3.13Å; T96-E99 WeakPolarHBondContact OG1-CG 3.24Å; T96-E99 PolarHBondContact OG1-N 3.02Å; T96-E99 VanDerWaalsContact OG1-N 3.16Å; T96-F100 PolarHBondContact O-N 3.26Å
97V94.3Very high92.6Very high114 Ų11481.3 Ų81.369%0.69141%0.411SS*.Hα-helixtrans-55.3-39.9174.5177.50000111.2F100 L101V97-F100 PolarHBondContact O-N 3Å; V97-L101 HydrophobicContact CG1-CD1 3.99Å; V97-L101 HydrophobicContact CG1-CG 4.33Å; V97-L101 WeakPolarHBondContact O-CB 3.32Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 2.98Å; V97-L101 PolarHBondContact O-N 3.26Å
98E95.8Very high92.5Very high157 Ų15781.3 Ų81.373%0.73440%0.403SS*.Hα-helixtrans-64.4-46.4177.1-174.6-176.6179.200112.1T96 F100 L101 K102T96-E98 PolarHBondContact O-N 3.09Å; T96-E98 PolarHBondContact OG1-N 3.15Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 PolarHBondContact O-N 3.42Å; E98-L101 PolarHBondContact O-N 2.6Å; E98-K102 WeakPolarHBondContact O-CB 3.46Å; E98-K102 PolarHBondContact O-N 3.46Å
99E95.1Very high92.5Very high64 Ų6483.2 Ų83.230%0.29941%0.409SS..Hα-helixtrans-60.9-41.9177.4-71.3176.1139.300111K90 L95 T96 K102 L103K90-E99 IonicContact NZ-OE1 3.33Å; K90-E99 PolarHBondContact NZ-OE1 3.04Å; K90-E99 IonicContact NZ-OE2 3.42Å; K90-E99 PolarHBondContact NZ-OE2 3.22Å; L95-E99 WeakPolarHBondContact CA-OE2 3.25Å; L95-E99 HydrophobicContact CB-CB 4.1Å; L95-E99 HydrophobicContact CD2-CB 4.09Å; T96-E99 PolarHBondContact N-OE2 2.92Å; T96-E99 PolarHBondContact O-N 2.91Å; T96-E99 VanDerWaalsContact O-N 3.13Å; T96-E99 WeakPolarHBondContact OG1-CG 3.24Å; T96-E99 PolarHBondContact OG1-N 3.02Å; T96-E99 VanDerWaalsContact OG1-N 3.16Å; E99-K102 PolarHBondContact O-N 3.12Å; E99-L103 WeakPolarHBondContact O-CB 3.29Å; E99-L103 PolarHBondContact O-N 3.41Å
100F93.4Very high92.6Very high53 Ų5375 Ų7523%0.23237%0.373CS..Hα-helixtrans-64.1-47176.2-178.3-102.6000112.2T9 Y12 T96 V97 E98 K102 L103 Q104T9-F100 HydrophobicContact CG2-CZ 4.45Å; Y12-F100 HydrophobicContact CD1-CD2 4.46Å; Y12-F100 AromaticContact CD1-CE2 3.69Å; Y12-F100 HydrophobicContact CD1-CE2 3.69Å; Y12-F100 HydrophobicContact CD2-CE2 4.24Å; Y12-F100 HydrophobicContact CD2-CZ 4.37Å; Y12-F100 HydrophobicContact CE1-CE2 4.04Å; Y12-F100 AromaticContact CG-CE2 3.8Å; Y12-F100 HydrophobicContact CG-CE2 3.8Å; Y12-F100 HydrophobicContact CG-CZ 4.35Å; T96-F100 PolarHBondContact O-N 3.26Å; V97-F100 PolarHBondContact O-N 3Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 PolarHBondContact O-N 3.42Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 3.01Å; F100-L103 WeakPolarHBondContact O-CB 3.49Å; F100-L103 PolarHBondContact O-N 3.48Å; F100-L103 VanDerWaalsContact O-N 3.1Å; F100-Q104 HydrophobicContact CD1-CG 4.24Å; F100-Q104 HydrophobicContact CE1-CG 3.94Å; F100-Q104 HydrophobicContact CZ-CG 4.25Å; F100-Q104 WeakPolarHBondContact O-CG 3.27Å; F100-Q104 PolarHBondContact O-N 3.39Å
101L92.9Very high92.6Very high92 Ų9271.7 Ų71.748%0.48236%0.359SS..Hα-helixtrans-61.9-37.4177-72.5174.2000111.9V97 E98 Q104 K105V97-L101 HydrophobicContact CG1-CD1 3.99Å; V97-L101 HydrophobicContact CG1-CG 4.33Å; V97-L101 WeakPolarHBondContact O-CB 3.32Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 2.98Å; V97-L101 PolarHBondContact O-N 3.26Å; E98-L101 PolarHBondContact O-N 2.6Å; L101-Q104 PolarHBondContact O-N 2.96Å; L101-K105 WeakPolarHBondContact O-CB 3.37Å; L101-K105 PolarHBondContact O-N 2.9Å
102K93.6Very high92.8Very high142 Ų14273.4 Ų73.462%0.61736%0.363SS*.Hα-helixtrans-63.8-42.3173.1-172.8176.1179.71790111.3E98 E99 F100 K105 E106E98-K102 WeakPolarHBondContact O-CB 3.46Å; E98-K102 PolarHBondContact O-N 3.46Å; E99-K102 PolarHBondContact O-N 3.12Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 3.01Å; K102-K105 WeakPolarHBondContact O-CB 3.42Å; K102-K105 PolarHBondContact O-N 3.34Å; K102-E106 WeakPolarHBondContact O-CG 3.45Å; K102-E106 PolarHBondContact O-N 2.9Å
103L92.7Very high93Very high11 Ų1179 Ų796%0.05839%0.386CS..Hα-helixtrans-61.9-42.7175.7179.962.5000112.1Y12 F58 N84 L88 L95 E99 F100 E106 K107Y12-L103 HydrophobicContact CD1-CD2 4.33Å; Y12-L103 HydrophobicContact CE1-CD2 3.74Å; Y12-L103 HydrophobicContact CE1-CG 4.25Å; F58-L103 HydrophobicContact CE2-CD1 3.53Å; F58-L103 HydrophobicContact CE2-CG 3.76Å; F58-L103 HydrophobicContact CZ-CD1 3.63Å; F58-L103 HydrophobicContact CZ-CG 4.27Å; N84-L103 HydrophobicContact CB-CD1 3.96Å; L88-L103 HydrophobicContact CD1-CD1 4.48Å; L88-L103 HydrophobicContact CD1-CD2 3.78Å; L88-L103 HydrophobicContact CD2-CD1 4.24Å; L88-L103 HydrophobicContact CD2-CD2 4.32Å; L95-L103 HydrophobicContact CD1-CD2 3.97Å; E99-L103 WeakPolarHBondContact O-CB 3.29Å; E99-L103 PolarHBondContact O-N 3.41Å; F100-L103 WeakPolarHBondContact O-CB 3.49Å; F100-L103 PolarHBondContact O-N 3.48Å; F100-L103 VanDerWaalsContact O-N 3.1Å; L103-E106 PolarHBondContact O-N 3.38Å; L103-K107 PolarHBondContact O-N 3.47Å
104Q91.5Very high93Very high26 Ų2676.1 Ų76.112%0.12137%0.367CS..Hα-helixtrans-60.5-44.1173.5-65.1-60.8-24.900112Y12 F100 L101 E106 K107 Q108Y12-Q104 VanDerWaalsContact OH-CD 3.31Å; Y12-Q104 PolarHBondContact OH-NE2 3.34Å; Y12-Q104 PolarHBondContact OH-OE1 3.47Å; F100-Q104 HydrophobicContact CD1-CG 4.24Å; F100-Q104 HydrophobicContact CE1-CG 3.94Å; F100-Q104 HydrophobicContact CZ-CG 4.25Å; F100-Q104 WeakPolarHBondContact O-CG 3.27Å; F100-Q104 PolarHBondContact O-N 3.39Å; L101-Q104 PolarHBondContact O-N 2.96Å; Q104-E106 VanDerWaalsContact C-N 3.33Å; Q104-E106 PolarHBondContact O-N 3.18Å; Q104-K107 VanDerWaalsContact O-CB 3.31Å; Q104-K107 WeakPolarHBondContact O-CB 3.31Å; Q104-K107 PolarHBondContact O-N 3.45Å; Q104-Q108 PolarHBondContact O-N 3.02Å
105K92.8Very high92.9Very high124 Ų12478.8 Ų78.854%0.53937%0.37SS..Hα-helixtrans-58.8-44.3176.2174.7-177.9173.7177.80111.7L101 K102 Q108 K109L101-K105 WeakPolarHBondContact O-CB 3.37Å; L101-K105 PolarHBondContact O-N 2.9Å; K102-K105 WeakPolarHBondContact O-CB 3.42Å; K102-K105 PolarHBondContact O-N 3.34Å; K105-Q108 PolarHBondContact O-N 3.48Å; K105-K109 WeakPolarHBondContact O-CG 3.43Å; K105-K109 PolarHBondContact O-N 2.95Å
106E92.8Very high93Very high52 Ų5280.3 Ų80.324%0.24338%0.382CS..Hα-helixtrans-68.1-35.8177.4-63-48.8128.900112K102 L103 Q104 Q108 K109 F110K102-E106 WeakPolarHBondContact O-CG 3.45Å; K102-E106 PolarHBondContact O-N 2.9Å; L103-E106 PolarHBondContact O-N 3.38Å; Q104-E106 VanDerWaalsContact C-N 3.33Å; Q104-E106 PolarHBondContact O-N 3.18Å; E106-Q108 PolarHBondContact O-N 3.42Å; E106-K109 PolarHBondContact O-N 3.4Å; E106-K109 IonicContact OE1-NZ 2.6Å; E106-K109 PolarHBondContact OE1-NZ 3.42Å; E106-K109 WeakPolarHBondContact OE2-CD 3.36Å; E106-K109 IonicContact OE2-NZ 3.38Å; E106-K109 PolarHBondContact OE2-NZ 2.92Å; E106-F110 WeakPolarHBondContact O-CB 3.43Å; E106-F110 PolarHBondContact O-N 2.75Å
107K91.8Very high92.9Very high14 Ų1480.7 Ų80.76%0.06138%0.382CS..Hα-helixtrans-55.7-50.9170.4-170.8173.6176.1168.90111.5Y12 F57 F58 L103 Q104 K109 F110 H111Y12-K107 VanDerWaalsContact OH-CD 3.26Å; Y12-K107 WeakPolarHBondContact OH-CD 3.44Å; F57-K107 PolarHBondContact O-NZ 3.28Å; F58-K107 HydrophobicContact CD1-CG 4.4Å; F58-K107 HydrophobicContact CD2-CB 4.27Å; F58-K107 HydrophobicContact CD2-CD 3.83Å; F58-K107 HydrophobicContact CD2-CG 4.12Å; F58-K107 HydrophobicContact CE1-CB 3.99Å; F58-K107 HydrophobicContact CE1-CG 4.21Å; F58-K107 HydrophobicContact CE2-CB 3.56Å; F58-K107 HydrophobicContact CE2-CD 3.92Å; F58-K107 HydrophobicContact CE2-CG 3.93Å; F58-K107 HydrophobicContact CG-CD 4.33Å; F58-K107 HydrophobicContact CG-CG 4.36Å; F58-K107 HydrophobicContact CZ-CB 3.4Å; F58-K107 HydrophobicContact CZ-CD 4.48Å; F58-K107 HydrophobicContact CZ-CG 3.98Å; L103-K107 PolarHBondContact O-N 3.47Å; Q104-K107 VanDerWaalsContact O-CB 3.31Å; Q104-K107 WeakPolarHBondContact O-CB 3.31Å; Q104-K107 PolarHBondContact O-N 3.45Å; K107-K109 PolarHBondContact O-N 3.36Å; K107-F110 WeakPolarHBondContact O-CB 3.4Å; K107-F110 PolarHBondContact O-N 3.43Å; K107-H111 VanDerWaalsContact CE-CE1 3.47Å; K107-H111 WeakPolarHBondContact CE-CE1 3.29Å; K107-H111 PolarHBondContact O-N 3.45Å
108Q91.4Very high92.9Very high71 Ų7179.3 Ų79.333%0.33237%0.368SS..Hα-helixtrans-62.8-43.5-177.7-173.659.33700111.7Q104 K105 E106 F110 H111 I112Q104-Q108 PolarHBondContact O-N 3.02Å; K105-Q108 PolarHBondContact O-N 3.48Å; E106-Q108 PolarHBondContact O-N 3.42Å; Q108-F110 VanDerWaalsContact C-N 3.33Å; Q108-F110 PolarHBondContact O-N 3.33Å; Q108-H111 PolarHBondContact O-N 2.93Å; Q108-I112 HydrophobicContact CG-CD1 4Å; Q108-I112 VanDerWaalsContact O-CG1 3.31Å; Q108-I112 WeakPolarHBondContact O-CG1 3.42Å; Q108-I112 PolarHBondContact O-N 3.18Å
109K92.7Very high93Very high98 Ų9874 Ų7443%0.42635%0.351SS..Hα-helixtrans-59.5-44.4174.2-74.4172.8175176.30111.9K105 E106 K107 H111 I112 K113K105-K109 WeakPolarHBondContact O-CG 3.43Å; K105-K109 PolarHBondContact O-N 2.95Å; E106-K109 PolarHBondContact O-N 3.4Å; E106-K109 IonicContact OE1-NZ 2.6Å; E106-K109 PolarHBondContact OE1-NZ 3.42Å; E106-K109 WeakPolarHBondContact OE2-CD 3.36Å; E106-K109 IonicContact OE2-NZ 3.38Å; E106-K109 PolarHBondContact OE2-NZ 2.92Å; K107-K109 PolarHBondContact O-N 3.36Å; K109-H111 VanDerWaalsContact C-N 3.35Å; K109-I112 PolarHBondContact O-N 3.41Å; K109-K113 WeakPolarHBondContact O-CB 3.21Å; K109-K113 PolarHBondContact O-N 2.93Å
110F90.8Very high93.1Very high39 Ų3975.2 Ų75.217%0.17136%0.358CS..Hα-helixtrans-59.8-46.5178.5-177.1-86.1000110.8C59 E106 K107 Q108 K113 K114C59-F110 HydrophobicContact CB-CD1 4.24Å; C59-F110 HydrophobicContact CB-CE1 3.59Å; C59-F110 HydrophobicContact CB-CZ 3.83Å; C59-F110 WeakPolarHBondContact O-CE1 3.48Å; E106-F110 WeakPolarHBondContact O-CB 3.43Å; E106-F110 PolarHBondContact O-N 2.75Å; K107-F110 WeakPolarHBondContact O-CB 3.4Å; K107-F110 PolarHBondContact O-N 3.43Å; Q108-F110 VanDerWaalsContact C-N 3.33Å; Q108-F110 PolarHBondContact O-N 3.33Å; F110-K113 PolarHBondContact O-N 3.38Å; F110-K114 HydrophobicContact CE1-CD 4.2Å; F110-K114 WeakPolarHBondContact O-CB 3.3Å; F110-K114 PolarHBondContact O-N 2.85Å
111H90.7Very high93.3Very high33 Ų3375.8 Ų75.815%0.15337%0.366CS..Hα-helixtrans-62.6-45.6177.2-69.8179000112.9F58 K107 Q108 K109 K113 K114 Y115F58-H111 PolarHBondContact O-NE2 2.85Å; K107-H111 VanDerWaalsContact CE-CE1 3.47Å; K107-H111 WeakPolarHBondContact CE-CE1 3.29Å; K107-H111 PolarHBondContact O-N 3.45Å; Q108-H111 PolarHBondContact O-N 2.93Å; K109-H111 VanDerWaalsContact C-N 3.35Å; H111-K113 VanDerWaalsContact C-N 3.35Å; H111-K113 PolarHBondContact O-N 3.43Å; H111-K114 PolarHBondContact O-N 3.29Å; H111-Y115 WeakPolarHBondContact O-CB 3.35Å; H111-Y115 PolarHBondContact O-N 3.44Å
112I93.4Very high93.5Very high91 Ų9178.1 Ų78.147%0.46737%0.373SS..Hα-helixtrans-59.1-48.9177-69.4166.1000110Q108 K109 K114 Y115 C116Q108-I112 HydrophobicContact CG-CD1 4Å; Q108-I112 VanDerWaalsContact O-CG1 3.31Å; Q108-I112 WeakPolarHBondContact O-CG1 3.42Å; Q108-I112 PolarHBondContact O-N 3.18Å; K109-I112 PolarHBondContact O-N 3.41Å; I112-K114 PolarHBondContact O-N 3.35Å; I112-Y115 PolarHBondContact O-N 3Å; I112-C116 WeakPolarHBondContact O-CB 3.42Å; I112-C116 PolarHBondContact O-N 3.47Å; I112-C116 PolarHBondContact O-SG 2.97Å
113K93.1Very high93.8Very high144 Ų14478.6 Ų78.663%0.62638%0.375SS*.Hα-helixtrans-60.6-45.8179.4-175.1178.3179.3-178.30111.6K109 F110 H111 N117K109-K113 WeakPolarHBondContact O-CB 3.21Å; K109-K113 PolarHBondContact O-N 2.93Å; F110-K113 PolarHBondContact O-N 3.38Å; H111-K113 VanDerWaalsContact C-N 3.35Å; H111-K113 PolarHBondContact O-N 3.43Å; K113-N117 WeakPolarHBondContact O-CB 3.4Å; K113-N117 PolarHBondContact O-N 3Å; K113-N117 PolarHBondContact O-OD1 3.4Å
114K89.8Confident94Very high61 Ų6183.8 Ų83.827%0.26540%0.399SS..Hα-helixtrans-59.7-51.1178.1-179.1174.6176.3-178.80111C59 L60 F110 H111 I112 C116 N117 E118C59-K114 PolarHBondContact O-NZ 2.95Å; L60-K114 PolarHBondContact O-NZ 2.88Å; L60-K114 VanDerWaalsContact O-NZ 3.12Å; F110-K114 HydrophobicContact CE1-CD 4.2Å; F110-K114 WeakPolarHBondContact O-CB 3.3Å; F110-K114 PolarHBondContact O-N 2.85Å; H111-K114 PolarHBondContact O-N 3.29Å; I112-K114 PolarHBondContact O-N 3.35Å; K114-C116 PolarHBondContact O-N 3.25Å; K114-N117 PolarHBondContact O-N 3.47Å; K114-E118 WeakPolarHBondContact CE-OE1 3.38Å; K114-E118 VanDerWaalsContact CG-OE1 3.3Å; K114-E118 WeakPolarHBondContact CG-OE1 3.38Å; K114-E118 WeakPolarHBondContact O-CG 3.42Å; K114-E118 PolarHBondContact O-N 3.28Å
115Y91.9Very high94.4Very high166 Ų16688.5 Ų88.565%0.65142%0.421SS*.Hα-helixtrans-60.8-45.5179.5179.7-96.2000112.6H111 I112 N117 E118 A119H111-Y115 WeakPolarHBondContact O-CB 3.35Å; H111-Y115 PolarHBondContact O-N 3.44Å; I112-Y115 PolarHBondContact O-N 3Å; Y115-N117 VanDerWaalsContact C-N 3.34Å; Y115-N117 PolarHBondContact O-N 2.93Å; Y115-E118 PolarHBondContact O-N 3.46Å; Y115-A119 WeakPolarHBondContact O-CB 3.4Å; Y115-A119 PolarHBondContact O-N 3.49Å
116C96.4Very high94.6Very high60 Ų6085.3 Ų85.341%0.40542%0.418SS..Hα-helixtrans-61.2-43.7176.8-70.40000111.7I112 K114 A119 I120I112-C116 WeakPolarHBondContact O-CB 3.42Å; I112-C116 PolarHBondContact O-N 3.47Å; I112-C116 PolarHBondContact O-SG 2.97Å; K114-C116 PolarHBondContact O-N 3.25Å; C116-A119 PolarHBondContact O-N 2.95Å; C116-I120 VanDerWaalsContact O-CG1 3.28Å; C116-I120 WeakPolarHBondContact O-CG1 3.28Å; C116-I120 PolarHBondContact O-N 2.99Å
117N94.4Very high94.9Very high83 Ų8385.1 Ų85.144%0.44443%0.425SS..Hα-helixtrans-63.8-45.4178.1-73.2-6.6000111.8K113 K114 Y115 A119 I120 T121K113-N117 WeakPolarHBondContact O-CB 3.4Å; K113-N117 PolarHBondContact O-N 3Å; K113-N117 PolarHBondContact O-OD1 3.4Å; K114-N117 PolarHBondContact O-N 3.47Å; Y115-N117 VanDerWaalsContact C-N 3.34Å; Y115-N117 PolarHBondContact O-N 2.93Å; N117-A119 VanDerWaalsContact C-N 3.31Å; N117-A119 PolarHBondContact O-N 3.36Å; N117-I120 PolarHBondContact O-N 3.39Å; N117-T121 PolarHBondContact O-N 3.09Å; N117-T121 PolarHBondContact O-OG1 2.95Å
118E93.9Very high95.2Very high84 Ų8492.4 Ų92.439%0.39346%0.457SS..Hα-helixtrans-60.4-40.1176.3-73.2171.7-17100112K114 Y115 K122K114-E118 WeakPolarHBondContact CE-OE1 3.38Å; K114-E118 VanDerWaalsContact CG-OE1 3.3Å; K114-E118 WeakPolarHBondContact CG-OE1 3.38Å; K114-E118 WeakPolarHBondContact O-CG 3.42Å; K114-E118 PolarHBondContact O-N 3.28Å; Y115-E118 PolarHBondContact O-N 3.46Å; E118-K122 WeakPolarHBondContact O-CB 3.3Å; E118-K122 VanDerWaalsContact O-CG 3.3Å; E118-K122 WeakPolarHBondContact O-CG 3.44Å; E118-K122 PolarHBondContact O-N 3.22Å
119A97.1Very high95.5Very high47 Ų4792.5 Ų92.539%0.38847%0.465SS..Hα-helixtrans-64.8-41.1176.200000112.2Y115 C116 N117 F123Y115-A119 WeakPolarHBondContact O-CB 3.4Å; Y115-A119 PolarHBondContact O-N 3.49Å; C116-A119 PolarHBondContact O-N 2.95Å; N117-A119 VanDerWaalsContact C-N 3.31Å; N117-A119 PolarHBondContact O-N 3.36Å; A119-F123 WeakPolarHBondContact O-CB 3.47Å; A119-F123 PolarHBondContact O-N 2.92Å; A119-F123 VanDerWaalsContact O-N 3.09Å
120I98.1Very high95.7Very high88 Ų8894.8 Ų94.845%0.45147%0.471SS..Hα-helixtrans-62.7-51175.6-69.9164.4000110.3C116 N117 K122 F123 E124C116-I120 VanDerWaalsContact O-CG1 3.28Å; C116-I120 WeakPolarHBondContact O-CG1 3.28Å; C116-I120 PolarHBondContact O-N 2.99Å; N117-I120 PolarHBondContact O-N 3.39Å; I120-K122 PolarHBondContact O-N 2.93Å; I120-F123 WeakPolarHBondContact O-CB 3.47Å; I120-F123 PolarHBondContact O-N 3.16Å; I120-F123 VanDerWaalsContact O-N 3.1Å; I120-E124 HydrophobicContact CG2-CG 4.32Å; I120-E124 WeakPolarHBondContact O-CG 3.33Å; I120-E124 PolarHBondContact O-N 3.1Å
121T97.7Very high96.1Very high65 Ų65101.3 Ų101.340%0.39950%0.495SS..Hα-helixtrans-58.3-46-179.7-59.90000111.8N117 F123 E124 E125N117-T121 PolarHBondContact O-N 3.09Å; N117-T121 PolarHBondContact O-OG1 2.95Å; T121-F123 VanDerWaalsContact C-N 3.3Å; T121-F123 PolarHBondContact O-N 3.22Å; T121-E124 PolarHBondContact O-N 3.38Å; T121-E125 HydrophobicContact CG2-CG 4.46Å; T121-E125 WeakPolarHBondContact O-CG 3.41Å; T121-E125 PolarHBondContact O-N 3.04Å
122K97.6Very high96.4Very high141 Ų141101.6 Ų101.661%0.61351%0.507SS*.Hα-helixtrans-59.3-40.9176.3-75.1174.2-179.5175.40112.4E118 I120 A126E118-K122 WeakPolarHBondContact O-CB 3.3Å; E118-K122 VanDerWaalsContact O-CG 3.3Å; E118-K122 WeakPolarHBondContact O-CG 3.44Å; E118-K122 PolarHBondContact O-N 3.22Å; I120-K122 PolarHBondContact O-N 2.93Å; K122-A126 WeakPolarHBondContact O-CB 3.34Å; K122-A126 PolarHBondContact O-N 2.91Å
123F98.4Very high96.5Very high153 Ų153101.7 Ų101.767%0.67151%0.505SS*.Hα-helixtrans-64.9-44.8177177.5-94.7000111.7A119 I120 T121 A126 A127A119-F123 WeakPolarHBondContact O-CB 3.47Å; A119-F123 PolarHBondContact O-N 2.92Å; A119-F123 VanDerWaalsContact O-N 3.09Å; I120-F123 WeakPolarHBondContact O-CB 3.47Å; I120-F123 PolarHBondContact O-N 3.16Å; I120-F123 VanDerWaalsContact O-N 3.1Å; T121-F123 VanDerWaalsContact C-N 3.3Å; T121-F123 PolarHBondContact O-N 3.22Å; F123-A126 PolarHBondContact O-N 3.39Å; F123-A127 VanDerWaalsContact O-CB 3.3Å; F123-A127 WeakPolarHBondContact O-CB 3.38Å; F123-A127 PolarHBondContact O-N 3.5Å
124E98.4Very high96.7Very high119 Ų11999.5 Ų99.556%0.55650%0.499SS*.Hα-helixtrans-62.5-43178.7-71175.8160.200112.2I120 T121 A127 K128I120-E124 HydrophobicContact CG2-CG 4.32Å; I120-E124 WeakPolarHBondContact O-CG 3.33Å; I120-E124 PolarHBondContact O-N 3.1Å; T121-E124 PolarHBondContact O-N 3.38Å; E124-A127 PolarHBondContact O-N 3.38Å; E124-K128 WeakPolarHBondContact O-CB 3.48Å; E124-K128 PolarHBondContact O-N 3.04Å
125E98.2Very high97Very high125 Ų125100.3 Ų100.358%0.58451%0.506SS*.Hα-helixtrans-62.6-47.1175.6-72.7174.5169.100111.7T121 A127 K128 S129T121-E125 HydrophobicContact CG2-CG 4.46Å; T121-E125 WeakPolarHBondContact O-CG 3.41Å; T121-E125 PolarHBondContact O-N 3.04Å; E125-A127 VanDerWaalsContact C-N 3.35Å; E125-A127 PolarHBondContact O-N 2.82Å; E125-K128 PolarHBondContact O-N 3.48Å; E125-S129 WeakPolarHBondContact O-CB 3.37Å; E125-S129 PolarHBondContact O-N 3.28Å
126A98.3Very high97.1Very high58 Ų5898.8 Ų98.848%0.47950%0.503SS..Hα-helixtrans-62-42.4176.800000111.8K122 F123 K128 S129 R130K122-A126 WeakPolarHBondContact O-CB 3.34Å; K122-A126 PolarHBondContact O-N 2.91Å; F123-A126 PolarHBondContact O-N 3.39Å; A126-K128 PolarHBondContact O-N 2.92Å; A126-S129 PolarHBondContact O-N 3.47Å; A126-R130 WeakPolarHBondContact O-CB 3.3Å; A126-R130 PolarHBondContact O-N 2.86Å
127A98.4Very high97Very high47 Ų4799.8 Ų99.839%0.38851%0.507SS..Hα-helixtrans-63-41.9176.600000111.8F123 E124 E125 R130 R131F123-A127 VanDerWaalsContact O-CB 3.3Å; F123-A127 WeakPolarHBondContact O-CB 3.38Å; F123-A127 PolarHBondContact O-N 3.5Å; E124-A127 PolarHBondContact O-N 3.38Å; E125-A127 VanDerWaalsContact C-N 3.35Å; E125-A127 PolarHBondContact O-N 2.82Å; A127-R130 PolarHBondContact O-N 3.41Å; A127-R131 WeakPolarHBondContact O-CB 3.35Å; A127-R131 PolarHBondContact O-N 3.2Å
128K98.3Very high96.8Very high168 Ų16898.8 Ų98.873%0.7351%0.51SS*.Hα-helixtrans-64.3-44.4176.5-174.3-179.7178.7-176.50111.7E124 E125 A126 R131 G132E124-K128 WeakPolarHBondContact O-CB 3.48Å; E124-K128 PolarHBondContact O-N 3.04Å; E125-K128 PolarHBondContact O-N 3.48Å; A126-K128 PolarHBondContact O-N 2.92Å; K128-R131 PolarHBondContact O-N 2.96Å; K128-G132 PolarHBondContact O-N 3.3Å; K128-G132 VanDerWaalsContact O-N 3.1Å
129S98Very high96.3Very high73 Ų73100.9 Ų100.951%0.5152%0.522SS..Hα-helixtrans-59.7-51.1175.5174.40000111E125 A126 R131 G132 E133E125-S129 WeakPolarHBondContact O-CB 3.37Å; E125-S129 PolarHBondContact O-N 3.28Å; A126-S129 PolarHBondContact O-N 3.47Å; S129-R131 VanDerWaalsContact C-N 3.32Å; S129-R131 PolarHBondContact O-N 3.18Å; S129-G132 WeakPolarHBondContact O-CA 3.37Å; S129-G132 PolarHBondContact O-N 3.11Å; S129-E133 PolarHBondContact O-N 3.46Å; S129-E133 VanDerWaalsContact O-N 3.11Å
130R97.6Very high95.2Very high146 Ų146104.1 Ų104.155%0.55153%0.532SS*.Hα-helixtrans-60.2-39.8178.7-176.855.6175.9175.60.9112.8A126 A127 G132 E133 I134A126-R130 WeakPolarHBondContact O-CB 3.3Å; A126-R130 PolarHBondContact O-N 2.86Å; A127-R130 PolarHBondContact O-N 3.41Å; R130-G132 VanDerWaalsContact C-N 3.31Å; R130-G132 PolarHBondContact O-N 3.39Å; R130-E133 WeakPolarHBondContact CD-OE2 3.36Å; R130-E133 IonicContact CZ-OE2 3.81Å; R130-E133 IonicContact NH1-OE2 2.82Å; R130-E133 PolarHBondContact NH1-OE2 2.93Å; R130-E133 PolarHBondContact O-N 3.02Å; R130-I134 HydrophobicContact CG-CD1 4.13Å; R130-I134 WeakPolarHBondContact O-CG1 3.39Å; R130-I134 PolarHBondContact O-N 3.42Å
131R97.4Very high93.3Very high175 Ų175107.6 Ų107.666%0.6655%0.547SS*.Hα-helixtrans-61-41174.7-176.2177.5-176.5-114.8-0.2111.6A127 K128 S129 E133 I134 I135A127-R131 WeakPolarHBondContact O-CB 3.35Å; A127-R131 PolarHBondContact O-N 3.2Å; K128-R131 PolarHBondContact O-N 2.96Å; S129-R131 VanDerWaalsContact C-N 3.32Å; S129-R131 PolarHBondContact O-N 3.18Å; R131-E133 VanDerWaalsContact C-N 3.35Å; R131-I134 PolarHBondContact O-N 2.92Å; R131-I135 HydrophobicContact CG-CD1 4.11Å; R131-I135 WeakPolarHBondContact O-CG1 3.47Å; R131-I135 PolarHBondContact O-N 3.4Å; R131-I135 VanDerWaalsContact O-N 3.11Å
132G96.9Very high90.9Very high40 Ų40116 Ų11641%0.41258%0.581SS.*Hα-helixtrans-60.4-42.6175.600000112.7K128 S129 R130 I135 K136K128-G132 PolarHBondContact O-N 3.3Å; K128-G132 VanDerWaalsContact O-N 3.1Å; S129-G132 WeakPolarHBondContact O-CA 3.37Å; S129-G132 PolarHBondContact O-N 3.11Å; R130-G132 VanDerWaalsContact C-N 3.31Å; R130-G132 PolarHBondContact O-N 3.39Å; G132-I135 PolarHBondContact O-N 3.07Å; G132-K136 PolarHBondContact O-N 3.34Å; G132-K136 VanDerWaalsContact O-N 3.07Å
133E96.6Very high90.6Very high92 Ų92114.8 Ų114.843%0.4358%0.58SS.*Hα-helixtrans-61.9-46.8175.4-64.5173.3175.100112.2S129 R130 R131 I135 K136 T137S129-E133 PolarHBondContact O-N 3.46Å; S129-E133 VanDerWaalsContact O-N 3.11Å; R130-E133 WeakPolarHBondContact CD-OE2 3.36Å; R130-E133 IonicContact CZ-OE2 3.81Å; R130-E133 IonicContact NH1-OE2 2.82Å; R130-E133 PolarHBondContact NH1-OE2 2.93Å; R130-E133 PolarHBondContact O-N 3.02Å; R131-E133 VanDerWaalsContact C-N 3.35Å; E133-I135 VanDerWaalsContact C-N 3.32Å; E133-I135 PolarHBondContact O-N 3.1Å; E133-K136 PolarHBondContact O-N 3.11Å; E133-T137 PolarHBondContact O-N 3.33Å; E133-T137 PolarHBondContact O-OG1 3.1Å
134I96.4Very high90.2Very high98 Ų98112.7 Ų112.750%0.50358%0.575SS.*Hα-helixtrans-59.5-44.5-179.8-68.6165.7000110.9R130 R131 K136 T137 A138R130-I134 HydrophobicContact CG-CD1 4.13Å; R130-I134 WeakPolarHBondContact O-CG1 3.39Å; R130-I134 PolarHBondContact O-N 3.42Å; R131-I134 PolarHBondContact O-N 2.92Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-T137 PolarHBondContact O-N 3.12Å; I134-A138 PolarHBondContact O-N 3.07Å; I134-A138 VanDerWaalsContact O-N 3.12Å
135I96.1Very high89.7Confident79 Ų79112.4 Ų112.441%0.40558%0.576SS.*Hα-helixtrans-62.7-43.9178-68.7168.5000110.5R131 G132 E133 A138 M139R131-I135 HydrophobicContact CG-CD1 4.11Å; R131-I135 WeakPolarHBondContact O-CG1 3.47Å; R131-I135 PolarHBondContact O-N 3.4Å; R131-I135 VanDerWaalsContact O-N 3.11Å; G132-I135 PolarHBondContact O-N 3.07Å; E133-I135 VanDerWaalsContact C-N 3.32Å; E133-I135 PolarHBondContact O-N 3.1Å; I135-A138 PolarHBondContact O-N 3.16Å; I135-M139 HydrophobicContact CG2-SD 3.9Å; I135-M139 WeakPolarHBondContact O-CG 3.34Å; I135-M139 PolarHBondContact O-N 3.39Å; I135-M139 VanDerWaalsContact O-N 3.16Å
136K94.5Very high89.2Confident134 Ų134111.6 Ų111.658%0.58358%0.576SS**Hα-helixtrans-61.8-47.4179.8-173.5-178.3176.2-173.90111.8G132 E133 I134 A138 M139 D140G132-K136 PolarHBondContact O-N 3.34Å; G132-K136 VanDerWaalsContact O-N 3.07Å; E133-K136 PolarHBondContact O-N 3.11Å; I134-K136 VanDerWaalsContact C-N 3.34Å; K136-A138 VanDerWaalsContact C-N 3.3Å; K136-A138 PolarHBondContact O-N 3.48Å; K136-M139 PolarHBondContact O-N 3.37Å; K136-M139 VanDerWaalsContact O-N 3.1Å; K136-D140 PolarHBondContact O-N 3.32Å
137T93.8Very high88.6Confident81 Ų81115 Ų11550%0.49758%0.582SS.*Hα-helixtrans-58.7-41.9177.2-58.50000111.9E133 I134 M139 D140E133-T137 PolarHBondContact O-N 3.33Å; E133-T137 PolarHBondContact O-OG1 3.1Å; I134-T137 PolarHBondContact O-N 3.12Å; T137-M139 VanDerWaalsContact C-N 3.26Å; T137-M139 PolarHBondContact O-N 3.5Å; T137-D140 PolarHBondContact O-N 3.04Å
138A90.3Very high88Confident62 Ų62119.5 Ų119.551%0.51260%0.595SS.*Hα-helixtrans-66.7-25.1178.300000113.8I134 I135 K136I134-A138 PolarHBondContact O-N 3.07Å; I134-A138 VanDerWaalsContact O-N 3.12Å; I135-A138 PolarHBondContact O-N 3.16Å; K136-A138 VanDerWaalsContact C-N 3.3Å; K136-A138 PolarHBondContact O-N 3.48Å
139M83.8Confident87.2Confident128 Ų128116.1 Ų116.163%0.63159%0.585SS**Hα-helixtrans-87.8-25.6178.2-68.1177.566.400113.2I135 K136 T137 E141I135-M139 HydrophobicContact CG2-SD 3.9Å; I135-M139 WeakPolarHBondContact O-CG 3.34Å; I135-M139 PolarHBondContact O-N 3.39Å; I135-M139 VanDerWaalsContact O-N 3.16Å; K136-M139 PolarHBondContact O-N 3.37Å; K136-M139 VanDerWaalsContact O-N 3.1Å; T137-M139 VanDerWaalsContact C-N 3.26Å; T137-M139 PolarHBondContact O-N 3.5Å; M139-E141 PolarHBondContact O-N 3.48Å
140D73.6Confident86.4Confident114 Ų114119.4 Ų119.461%0.6159%0.591SS**THydrogen-bonded Turntrans-81-2.8177.9-67.5-23.6000112.4K136 T137K136-D140 PolarHBondContact O-N 3.32Å; T137-D140 PolarHBondContact O-N 3.04Å
141E58.3Low85.5Confident162 Ų162117.2 Ų117.276%0.75759%0.594SS**THydrogen-bonded Turntrans-95.32.4176.5-73.1179.8-178.700114M139M139-E141 PolarHBondContact O-N 3.48Å
142E48.2Very low84.4Confident241 Ų241111.9 Ų111.9100%1.12659%0.588SS**  trans-104.60169.7-75.8-174.9166.200112.3

Retrieved 142 of 142 residues in 1257.3 ms (Link to these results)

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