A0A087XWG4_POEFO Loading...

Leucine rich repeat containing 45

AlphaFold DB , UniProt , Accession A0A087XWG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 676 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
1M72.3Confident86Confident41 Ų4168.3 Ų68.320%0.20232%0.316CS..  0-460-111.7168.1-79.100112.1D3 F4 R5 A32 A33 S35 F63M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.81Å; M1-F4 PolarHBondContact O-N 2.83Å; M1-R5 PolarHBondContact O-N 2.91Å; M1-A32 WeakPolarHBondContact CE-O 3.41Å; M1-A33 WeakPolarHBondContact CE-O 3.32Å; M1-S35 WeakPolarHBondContact CE-O 3.41Å; M1-F63 HydrophobicContact CG-CE1 3.84Å; M1-F63 HydrophobicContact CG-CZ 3.55Å; M1-F63 HydrophobicContact SD-CE1 4.09Å; M1-F63 HydrophobicContact SD-CZ 4.3Å
2E76.6Confident86.5Confident155 Ų15562.8 Ų62.872%0.72429%0.291SS*.Hα-helixtrans-59.2-39.2176.1-65.7-166.2151.700113.1F4 R5 W6E2-F4 PolarHBondContact O-N 3.04Å; E2-R5 WeakPolarHBondContact O-CB 3.45Å; E2-R5 PolarHBondContact O-N 2.75Å; E2-W6 WeakPolarHBondContact O-CB 3.42Å; E2-W6 PolarHBondContact O-N 3.25Å
3D82.6Confident86.8Confident126 Ų12671.5 Ų71.567%0.67433%0.328SS*.Hα-helixtrans-61.6-40.9175.4-61-26.7000112.8M1 W6 T7M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.81Å; D3-W6 PolarHBondContact O-N 2.94Å; D3-T7 WeakPolarHBondContact O-CB 3.45Å; D3-T7 PolarHBondContact O-N 3.42Å; D3-T7 PolarHBondContact O-OG1 2.81Å
4F86.7Confident87.1Confident7 Ų774.1 Ų74.13%0.03134%0.341CS..Hα-helixtrans-67.9-41.7176.1-174.1-86.9000110.9M1 E2 W6 T7 Y8 L27 L38 L53 A56 F57 D60 F63M1-F4 PolarHBondContact O-N 2.83Å; E2-F4 PolarHBondContact O-N 3.04Å; F4-W6 PolarHBondContact O-N 3.31Å; F4-T7 PolarHBondContact O-N 3.44Å; F4-Y8 WeakPolarHBondContact O-CB 2.92Å; F4-Y8 PolarHBondContact O-N 3.42Å; F4-L27 HydrophobicContact CD1-CD1 4.06Å; F4-L27 HydrophobicContact CD1-CD2 3.89Å; F4-L27 HydrophobicContact CE1-CD1 4.28Å; F4-L27 HydrophobicContact CE1-CD2 4.37Å; F4-L38 HydrophobicContact CE1-CD2 4.41Å; F4-L53 HydrophobicContact CE1-CD2 4.45Å; F4-L53 HydrophobicContact CZ-CD2 4.44Å; F4-A56 HydrophobicContact CD2-CB 4.45Å; F4-A56 HydrophobicContact CE1-CB 4.35Å; F4-A56 HydrophobicContact CE2-CB 3.66Å; F4-A56 HydrophobicContact CZ-CB 3.61Å; F4-F57 AromaticContact CE2-CD1 3.97Å; F4-F57 HydrophobicContact CE2-CD1 3.97Å; F4-F57 HydrophobicContact CE2-CE1 4.26Å; F4-F57 HydrophobicContact CZ-CD1 4.01Å; F4-F57 AromaticContact CZ-CE1 3.93Å; F4-F57 HydrophobicContact CZ-CE1 3.93Å; F4-D60 HydrophobicContact CD2-CB 3.86Å; F4-D60 WeakPolarHBondContact CD2-OD1 3.47Å; F4-D60 HydrophobicContact CE2-CB 3.81Å; F4-F63 HydrophobicContact CB-CE2 3.99Å; F4-F63 HydrophobicContact CD1-CD2 4.49Å; F4-F63 AromaticContact CD1-CE2 3.62Å; F4-F63 HydrophobicContact CD1-CE2 3.62Å; F4-F63 HydrophobicContact CD1-CZ 4.46Å; F4-F63 HydrophobicContact CD2-CD2 4.11Å; F4-F63 AromaticContact CD2-CE2 3.92Å; F4-F63 HydrophobicContact CD2-CE2 3.92Å; F4-F63 AromaticContact CE1-CE2 4Å; F4-F63 HydrophobicContact CE1-CE2 4Å; F4-F63 HydrophobicContact CE2-CD2 4.25Å; F4-F63 HydrophobicContact CE2-CE2 4.27Å; F4-F63 HydrophobicContact CG-CD2 4.23Å; F4-F63 AromaticContact CG-CE2 3.57Å; F4-F63 HydrophobicContact CG-CE2 3.57Å; F4-F63 HydrophobicContact CZ-CD2 4.49Å; F4-F63 HydrophobicContact CZ-CE2 4.3Å
5R87.2Confident86.9Confident72 Ų7272.1 Ų72.127%0.27235%0.348SS..Hα-helixtrans-60.6-44.9174.5-179.5-177.6163.9-159.2-2.5111.7M1 E2 Y8 L9 L27M1-R5 PolarHBondContact O-N 2.91Å; E2-R5 WeakPolarHBondContact O-CB 3.45Å; E2-R5 PolarHBondContact O-N 2.75Å; R5-Y8 PolarHBondContact O-N 2.83Å; R5-L9 HydrophobicContact CG-CD1 4.11Å; R5-L9 WeakPolarHBondContact O-CB 3.41Å; R5-L9 VanDerWaalsContact O-CG 3.31Å; R5-L9 WeakPolarHBondContact O-CG 3.29Å; R5-L9 PolarHBondContact O-N 3.17Å; R5-L27 HydrophobicContact CB-CB 4.11Å; R5-L27 HydrophobicContact CB-CD1 4.24Å; R5-L27 HydrophobicContact CG-CB 4.12Å; R5-L27 HydrophobicContact CG-CD1 4.46Å
6W87.3Confident86.9Confident172 Ų17272.1 Ų72.165%0.65237%0.373SS*.Hα-helixtrans-62.9-44.7177.3-174.487000110.9E2 D3 F4 Y8 L9 Q10E2-W6 WeakPolarHBondContact O-CB 3.42Å; E2-W6 PolarHBondContact O-N 3.25Å; D3-W6 PolarHBondContact O-N 2.94Å; F4-W6 PolarHBondContact O-N 3.31Å; W6-Y8 PolarHBondContact O-N 3.11Å; W6-L9 PolarHBondContact O-N 3.21Å; W6-Q10 WeakPolarHBondContact O-CB 3.43Å; W6-Q10 PolarHBondContact O-N 3.03Å
7T89.3Confident87.1Confident40 Ų4069.8 Ų69.825%0.24536%0.362CS..Hα-helixtrans-59.9-46.3175.3-56.80000111.3D3 F4 Q10 L11D3-T7 WeakPolarHBondContact O-CB 3.45Å; D3-T7 PolarHBondContact O-N 3.42Å; D3-T7 PolarHBondContact O-OG1 2.81Å; F4-T7 PolarHBondContact O-N 3.44Å; T7-Q10 PolarHBondContact O-N 3.28Å; T7-L11 HydrophobicContact CG2-CD1 3.91Å; T7-L11 HydrophobicContact CG2-CG 4.4Å; T7-L11 WeakPolarHBondContact O-CB 3.41Å; T7-L11 WeakPolarHBondContact O-CG 3.29Å; T7-L11 PolarHBondContact O-N 3.36Å
8Y90.1Very high87.1Confident1 Ų175.7 Ų75.70%0.00439%0.388CS..Hα-helixtrans-60.8-48.9177.6175.6-101.4000111.6F4 R5 W6 Q10 L11 C12 P19 Q20 V23 V24 L27 I52 L53F4-Y8 WeakPolarHBondContact O-CB 2.92Å; F4-Y8 PolarHBondContact O-N 3.42Å; R5-Y8 PolarHBondContact O-N 2.83Å; W6-Y8 PolarHBondContact O-N 3.11Å; Y8-Q10 VanDerWaalsContact C-N 3.34Å; Y8-Q10 PolarHBondContact O-N 3.15Å; Y8-L11 PolarHBondContact O-N 3.32Å; Y8-C12 VanDerWaalsContact CZ-SG 3.58Å; Y8-C12 PolarHBondContact O-N 3.43Å; Y8-C12 PolarHBondContact O-SG 2.9Å; Y8-P19 HydrophobicContact CE1-CB 4.07Å; Y8-Q20 PolarHBondContact OH-N 2.9Å; Y8-V23 HydrophobicContact CD1-CG1 4.18Å; Y8-V23 HydrophobicContact CD2-CG1 4.4Å; Y8-V23 HydrophobicContact CE1-CB 4.14Å; Y8-V23 HydrophobicContact CE1-CG1 3.74Å; Y8-V23 HydrophobicContact CE2-CG1 4.01Å; Y8-V23 HydrophobicContact CG-CG1 4.49Å; Y8-V24 HydrophobicContact CE1-CG2 4.06Å; Y8-L27 HydrophobicContact CD1-CD1 4.4Å; Y8-I52 HydrophobicContact CD2-CG2 3.6Å; Y8-I52 HydrophobicContact CE2-CB 4.33Å; Y8-I52 HydrophobicContact CE2-CG2 3.63Å; Y8-L53 HydrophobicContact CD2-CD2 3.84Å; Y8-L53 HydrophobicContact CD2-CG 4.42Å; Y8-L53 HydrophobicContact CE2-CD2 3.8Å; Y8-L53 HydrophobicContact CE2-CG 4.01Å
9L90.4Very high87.2Confident49 Ų4974.7 Ų74.726%0.25739%0.387SS..Hα-helixtrans-64.7-36.9178.4-70.7174.7000112.4R5 W6 C12 K13 P19 V24R5-L9 HydrophobicContact CG-CD1 4.11Å; R5-L9 WeakPolarHBondContact O-CB 3.41Å; R5-L9 VanDerWaalsContact O-CG 3.31Å; R5-L9 WeakPolarHBondContact O-CG 3.29Å; R5-L9 PolarHBondContact O-N 3.17Å; W6-L9 PolarHBondContact O-N 3.21Å; L9-C12 PolarHBondContact O-N 3.5Å; L9-K13 WeakPolarHBondContact O-CG 3.47Å; L9-K13 PolarHBondContact O-N 2.8Å; L9-K13 VanDerWaalsContact O-N 3.11Å; L9-P19 HydrophobicContact CD2-CB 3.74Å; L9-P19 HydrophobicContact CD2-CG 3.96Å; L9-V24 HydrophobicContact CD2-CG2 4.06Å
10Q92.1Very high87.3Confident72 Ų7273.4 Ų73.434%0.33638%0.379SS..Hα-helixtrans-64.7-46.6174.3-175.6-173.6-15.400110.8W6 T7 Y8 C12 K13 E14W6-Q10 WeakPolarHBondContact O-CB 3.43Å; W6-Q10 PolarHBondContact O-N 3.03Å; T7-Q10 PolarHBondContact O-N 3.28Å; Y8-Q10 VanDerWaalsContact C-N 3.34Å; Y8-Q10 PolarHBondContact O-N 3.15Å; Q10-C12 VanDerWaalsContact C-N 3.3Å; Q10-C12 PolarHBondContact O-N 2.98Å; Q10-K13 WeakPolarHBondContact O-CB 3.45Å; Q10-K13 PolarHBondContact O-N 2.94Å; Q10-K13 VanDerWaalsContact O-N 3.15Å; Q10-E14 PolarHBondContact NE2-OE1 2.86Å; Q10-E14 WeakPolarHBondContact O-CG 3.36Å; Q10-E14 PolarHBondContact O-N 3.46Å
11L91.3Very high87.2Confident16 Ų1677.9 Ų77.98%0.08440%0.398CS..Hα-helixtrans-64.7-34178.3-70.6171.1000112.4T7 Y8 E14 G15 I52 R55 A56T7-L11 HydrophobicContact CG2-CD1 3.91Å; T7-L11 HydrophobicContact CG2-CG 4.4Å; T7-L11 WeakPolarHBondContact O-CB 3.41Å; T7-L11 WeakPolarHBondContact O-CG 3.29Å; T7-L11 PolarHBondContact O-N 3.36Å; Y8-L11 PolarHBondContact O-N 3.32Å; L11-E14 PolarHBondContact O-N 3.38Å; L11-G15 PolarHBondContact O-N 2.95Å; L11-I52 HydrophobicContact CB-CG2 3.7Å; L11-R55 HydrophobicContact CD1-CB 3.89Å; L11-R55 HydrophobicContact CD2-CB 4.46Å; L11-R55 VanDerWaalsContact CD2-CZ 3.45Å; L11-R55 VanDerWaalsContact CD2-NH2 3.32Å; L11-A56 HydrophobicContact CD1-CB 4.08Å
12C91.9Very high87.8Confident2 Ų276.9 Ų76.91%0.01440%0.395CS..Hα-helixtrans-61.1-46.5171.1-670000111.3Y8 L9 Q10 G15 G16 V17 P19 I52Y8-C12 VanDerWaalsContact CZ-SG 3.58Å; Y8-C12 PolarHBondContact O-N 3.43Å; Y8-C12 PolarHBondContact O-SG 2.9Å; L9-C12 PolarHBondContact O-N 3.5Å; Q10-C12 VanDerWaalsContact C-N 3.3Å; Q10-C12 PolarHBondContact O-N 2.98Å; C12-G15 PolarHBondContact O-N 3.49Å; C12-G16 PolarHBondContact O-N 3.36Å; C12-V17 CarbonylContact C-O 3.56Å; C12-V17 WeakPolarHBondContact CB-O 3.36Å; C12-V17 PolarHBondContact O-N 3.02Å; C12-P19 HydrophobicContact CB-CB 4.14Å; C12-I52 HydrophobicContact CB-CD1 4.36Å
13K90.8Very high88.3Confident177 Ų17769.5 Ų69.577%0.7736%0.361SS*.Hα-helixtrans-63.3-43.5176.5-72.5179.1-179.9-177.40112.5L9 Q10 G15 G16L9-K13 WeakPolarHBondContact O-CG 3.47Å; L9-K13 PolarHBondContact O-N 2.8Å; L9-K13 VanDerWaalsContact O-N 3.11Å; Q10-K13 WeakPolarHBondContact O-CB 3.45Å; Q10-K13 PolarHBondContact O-N 2.94Å; Q10-K13 VanDerWaalsContact O-N 3.15Å; K13-G15 VanDerWaalsContact C-N 3.32Å; K13-G16 PolarHBondContact O-N 3.45Å
14E90.6Very high88.5Confident108 Ų10864.5 Ų64.551%0.50534%0.335SS..Hα-helixtrans-64.8-36.6176.9-73.3176.1-168.800112.3Q10 L11 G16 R55Q10-E14 PolarHBondContact NE2-OE1 2.86Å; Q10-E14 WeakPolarHBondContact O-CG 3.36Å; Q10-E14 PolarHBondContact O-N 3.46Å; L11-E14 PolarHBondContact O-N 3.38Å; E14-G16 VanDerWaalsContact C-N 3.34Å; E14-R55 IonicContact OE2-NH2 3.71Å
15G85.1Confident88.4Confident44 Ų4466.7 Ų66.745%0.45435%0.354SS..Hα-helixtrans-81.1-9178.900000114.7L11 C12 K13 V17L11-G15 PolarHBondContact O-N 2.95Å; C12-G15 PolarHBondContact O-N 3.49Å; K13-G15 VanDerWaalsContact C-N 3.32Å; G15-V17 PolarHBondContact O-N 2.79Å
16G86.2Confident88.3Confident72 Ų7265.7 Ų65.774%0.74235%0.353SS*.THydrogen-bonded Turntrans66.425-17400000113.8C12 K13 E14C12-G16 PolarHBondContact O-N 3.36Å; K13-G16 PolarHBondContact O-N 3.45Å; E14-G16 VanDerWaalsContact C-N 3.34Å
17V89.8Confident88Confident32 Ų3258.1 Ų58.119%0.19433%0.325CS..  trans-107.6133.9-176.5-177.10000108.8C12 G15 D48 I52C12-V17 CarbonylContact C-O 3.56Å; C12-V17 WeakPolarHBondContact CB-O 3.36Å; C12-V17 PolarHBondContact O-N 3.02Å; G15-V17 PolarHBondContact O-N 2.79Å; V17-D48 HydrophobicContact CB-CB 4.45Å; V17-D48 HydrophobicContact CG1-CB 3.68Å; V17-D48 HydrophobicContact CG2-CB 3.85Å; V17-I52 HydrophobicContact CB-CD1 3.54Å; V17-I52 HydrophobicContact CG1-CD1 3.88Å; V17-I52 HydrophobicContact CG2-CD1 3.74Å
18E87.7Confident87.5Confident176 Ų17661.2 Ų61.282%0.82234%0.337SS*.PPolyproline II helixtrans-67.7127.6173.6-70.5-168.4161.100110.4Q20E18-Q20 PolarHBondContact O-N 3.03Å
19P88.9Confident86.9Confident58 Ų5864.1 Ų64.138%0.37735%0.352SS..PPolyproline II helixtrans-65.7125.3-178.127.1-33.6000109.7Y8 L9 C12 E21 V24Y8-P19 HydrophobicContact CE1-CB 4.07Å; L9-P19 HydrophobicContact CD2-CB 3.74Å; L9-P19 HydrophobicContact CD2-CG 3.96Å; C12-P19 HydrophobicContact CB-CB 4.14Å; P19-E21 PolarHBondContact O-N 2.94Å; P19-V24 HydrophobicContact CB-CG2 3.91Å
20Q88.5Confident85.2Confident48 Ų4866.2 Ų66.222%0.22437%0.371CS..PPolyproline II helixtrans-68.5128.7-174-161.1173.1-10.300110.8Y8 E18 S22 V23 V24 S44 T49Y8-Q20 PolarHBondContact OH-N 2.9Å; E18-Q20 PolarHBondContact O-N 3.03Å; Q20-S22 VanDerWaalsContact C-N 3.26Å; Q20-S22 PolarHBondContact O-N 3.5Å; Q20-V23 HydrophobicContact CB-CG2 4.33Å; Q20-V23 PolarHBondContact O-N 3.49Å; Q20-V23 VanDerWaalsContact O-N 3.11Å; Q20-V24 PolarHBondContact O-N 2.91Å; Q20-V24 VanDerWaalsContact O-N 3.11Å; Q20-S44 PolarHBondContact NE2-O 3.32Å; Q20-T49 HydrophobicContact CB-CG2 4.27Å; Q20-T49 PolarHBondContact OE1-OG1 2.99Å; Q20-T49 VanDerWaalsContact OE1-OG1 3.09Å
21E86.4Confident83.5Confident167 Ų16773.3 Ų73.378%0.7840%0.395SS*.Hα-helixtrans-59.4-36.3-172.3-169.4174.9-170.200112.5P19 V23 V24 A25P19-E21 PolarHBondContact O-N 2.94Å; E21-V23 PolarHBondContact O-N 3.43Å; E21-V24 PolarHBondContact O-N 3.44Å; E21-A25 WeakPolarHBondContact O-CB 3.02Å; E21-A25 PolarHBondContact O-N 2.88Å
22S85.6Confident81.9Confident20 Ų2073 Ų7314%0.1440%0.395CS..Hα-helixtrans-58.9-45.1176.2520000113Q20 Q26 H43Q20-S22 VanDerWaalsContact C-N 3.26Å; Q20-S22 PolarHBondContact O-N 3.5Å; S22-Q26 PolarHBondContact O-N 2.82Å; S22-Q26 VanDerWaalsContact O-N 3.14Å; S22-H43 VanDerWaalsContact CB-CD2 3.46Å; S22-H43 WeakPolarHBondContact CB-CD2 3.21Å
23V85.8Confident80.1Confident0 Ų075.5 Ų75.50%042%0.415CS..Hα-helixtrans-68.8-43.2179.3-178.90000110.3Y8 Q20 E21 Q26 L27 L40 L45 T49 L53Y8-V23 HydrophobicContact CD1-CG1 4.18Å; Y8-V23 HydrophobicContact CD2-CG1 4.4Å; Y8-V23 HydrophobicContact CE1-CB 4.14Å; Y8-V23 HydrophobicContact CE1-CG1 3.74Å; Y8-V23 HydrophobicContact CE2-CG1 4.01Å; Y8-V23 HydrophobicContact CG-CG1 4.49Å; Q20-V23 HydrophobicContact CB-CG2 4.33Å; Q20-V23 PolarHBondContact O-N 3.49Å; Q20-V23 VanDerWaalsContact O-N 3.11Å; E21-V23 PolarHBondContact O-N 3.43Å; V23-Q26 PolarHBondContact O-N 3.18Å; V23-L27 HydrophobicContact CG1-CD1 3.91Å; V23-L27 WeakPolarHBondContact O-CB 3.25Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.1Å; V23-L27 PolarHBondContact O-N 3.24Å; V23-L27 VanDerWaalsContact O-N 3.09Å; V23-L40 HydrophobicContact CB-CD2 4.41Å; V23-L40 HydrophobicContact CG2-CD1 4.16Å; V23-L40 HydrophobicContact CG2-CD2 4.12Å; V23-L45 HydrophobicContact CG2-CD2 3.99Å; V23-T49 HydrophobicContact CG2-CG2 3.94Å; V23-L53 HydrophobicContact CG1-CD2 4.12Å; V23-L53 HydrophobicContact CG2-CD1 4.48Å
24V87.4Confident78.5Confident21 Ų2175.7 Ų75.713%0.12742%0.418CS..Hα-helixtrans-67.2-40.5179.9176.10000111.4Y8 L9 P19 Q20 E21 L27 Q28Y8-V24 HydrophobicContact CE1-CG2 4.06Å; L9-V24 HydrophobicContact CD2-CG2 4.06Å; P19-V24 HydrophobicContact CB-CG2 3.91Å; Q20-V24 PolarHBondContact O-N 2.91Å; Q20-V24 VanDerWaalsContact O-N 3.11Å; E21-V24 PolarHBondContact O-N 3.44Å; V24-L27 PolarHBondContact O-N 2.91Å; V24-Q28 HydrophobicContact CG1-CG 4.3Å; V24-Q28 WeakPolarHBondContact O-CB 3.34Å; V24-Q28 VanDerWaalsContact O-CG 3.22Å; V24-Q28 WeakPolarHBondContact O-CG 3.31Å; V24-Q28 PolarHBondContact O-N 3.07Å
25A85.3Confident77.5Confident54 Ų5472.8 Ų72.845%0.44641%0.41SS..Hα-helixtrans-61.7-45.1177.100000111.2E21 L27 Q28 D29E21-A25 WeakPolarHBondContact O-CB 3.02Å; E21-A25 PolarHBondContact O-N 2.88Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.4Å; A25-Q28 PolarHBondContact O-N 3.48Å; A25-Q28 VanDerWaalsContact O-N 3.12Å; A25-D29 PolarHBondContact O-N 2.87Å
26Q83.9Confident77.4Confident50 Ų5073.3 Ų73.323%0.23441%0.407CS..Hα-helixtrans-63.5-39.1177-172.565.49.300112.5S22 V23 Q28 L38 D39 L40S22-Q26 PolarHBondContact O-N 2.82Å; S22-Q26 VanDerWaalsContact O-N 3.14Å; V23-Q26 PolarHBondContact O-N 3.18Å; Q26-Q28 VanDerWaalsContact C-N 3.25Å; Q26-Q28 PolarHBondContact O-N 2.84Å; Q26-L38 HydrophobicContact CG-CD1 3.96Å; Q26-D39 VanDerWaalsContact CG-O 3.24Å; Q26-D39 WeakPolarHBondContact CG-O 3.29Å; Q26-D39 PolarHBondContact NE2-O 2.87Å; Q26-L40 HydrophobicContact CB-CD2 4.03Å; Q26-L40 HydrophobicContact CG-CD2 4.28Å
27L81.9Confident77.6Confident13 Ų1374.6 Ų74.67%0.06839%0.389CS..Hα-helixtrans-76-12.5177.4-66.9172.6000113.4F4 R5 Y8 V23 V24 A25 L38 F63F4-L27 HydrophobicContact CD1-CD1 4.06Å; F4-L27 HydrophobicContact CD1-CD2 3.89Å; F4-L27 HydrophobicContact CE1-CD1 4.28Å; F4-L27 HydrophobicContact CE1-CD2 4.37Å; R5-L27 HydrophobicContact CB-CB 4.11Å; R5-L27 HydrophobicContact CB-CD1 4.24Å; R5-L27 HydrophobicContact CG-CB 4.12Å; R5-L27 HydrophobicContact CG-CD1 4.46Å; Y8-L27 HydrophobicContact CD1-CD1 4.4Å; V23-L27 HydrophobicContact CG1-CD1 3.91Å; V23-L27 WeakPolarHBondContact O-CB 3.25Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.1Å; V23-L27 PolarHBondContact O-N 3.24Å; V23-L27 VanDerWaalsContact O-N 3.09Å; V24-L27 PolarHBondContact O-N 2.91Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.4Å; L27-L38 HydrophobicContact CD2-CD1 4.03Å; L27-F63 HydrophobicContact CD2-CE2 4.3Å; L27-F63 HydrophobicContact CD2-CZ 3.83Å
28Q78.9Confident77.6Confident106 Ų10673.2 Ų73.250%0.49538%0.381SS..Hα-helixtrans-96.5-19175.5-79.2-177.924.500113.3V24 A25 Q26 S30V24-Q28 HydrophobicContact CG1-CG 4.3Å; V24-Q28 WeakPolarHBondContact O-CB 3.34Å; V24-Q28 VanDerWaalsContact O-CG 3.22Å; V24-Q28 WeakPolarHBondContact O-CG 3.31Å; V24-Q28 PolarHBondContact O-N 3.07Å; A25-Q28 PolarHBondContact O-N 3.48Å; A25-Q28 VanDerWaalsContact O-N 3.12Å; Q26-Q28 VanDerWaalsContact C-N 3.25Å; Q26-Q28 PolarHBondContact O-N 2.84Å; Q28-S30 PolarHBondContact O-N 3.07Å; Q28-S30 VanDerWaalsContact O-N 3.11Å
29D76.5Confident77.7Confident62 Ų6266.6 Ų66.633%0.33235%0.351SS..  trans-63.7115.2-178.1-168.7-7000110.7A25 R31 A32 A33A25-D29 PolarHBondContact O-N 2.87Å; D29-R31 PolarHBondContact O-N 2.97Å; D29-R31 PolarHBondContact OD1-N 2.8Å; D29-A32 HydrophobicContact CB-CB 4.14Å; D29-A32 WeakPolarHBondContact O-CA 3.36Å; D29-A32 WeakPolarHBondContact O-CB 3.38Å; D29-A32 PolarHBondContact O-N 3.48Å; D29-A33 PolarHBondContact O-N 3.23Å
30S54.2Low77.8Confident93 Ų9363.9 Ų63.965%0.6533%0.333SS*.THydrogen-bonded Turntrans-65.7-21-179.458.60000112.9Q28 A33Q28-S30 PolarHBondContact O-N 3.07Å; Q28-S30 VanDerWaalsContact O-N 3.11Å; S30-A33 WeakPolarHBondContact O-CB 3.38Å
31R58Low77.9Confident220 Ų22063.7 Ų63.783%0.8334%0.338SS*.THydrogen-bonded Turntrans-73.9-30170.8-74.5-177.1-95.7-168.7-8.8112.3D29D29-R31 PolarHBondContact O-N 2.97Å; D29-R31 PolarHBondContact OD1-N 2.8Å
32A56.8Low78Confident10 Ų1058.6 Ų58.68%0.08333%0.33CS..G310 helixtrans-78.6-20.1174.900000112.4M1 D29 H34 S35M1-A32 WeakPolarHBondContact CE-O 3.41Å; D29-A32 HydrophobicContact CB-CB 4.14Å; D29-A32 WeakPolarHBondContact O-CA 3.36Å; D29-A32 WeakPolarHBondContact O-CB 3.38Å; D29-A32 PolarHBondContact O-N 3.48Å; A32-H34 PolarHBondContact O-N 3.2Å; A32-S35 WeakPolarHBondContact O-CB 3.36Å; A32-S35 PolarHBondContact O-N 3.01Å
33A53.7Low78.2Confident54 Ų5461.9 Ų61.945%0.44634%0.343SS..G310 helixtrans-57.5-17.9-173.200000116.7M1 D29 S30M1-A33 WeakPolarHBondContact CE-O 3.32Å; D29-A33 PolarHBondContact O-N 3.23Å; S30-A33 WeakPolarHBondContact O-CB 3.38Å
34H56.5Low78.4Confident181 Ų18165.4 Ų65.484%0.83837%0.368SS*.G310 helixtrans-105.1-4175.2-64.282.9000113.6A32A32-H34 PolarHBondContact O-N 3.2Å
35S69.6Low78.6Confident48 Ų4864.6 Ų64.634%0.33636%0.362SS..  trans-94.1124.5-176.8-170.60000110.4M1 A32 R37M1-S35 WeakPolarHBondContact CE-O 3.41Å; A32-S35 WeakPolarHBondContact O-CB 3.36Å; A32-S35 PolarHBondContact O-N 3.01Å; S35-R37 PolarHBondContact O-N 3.33Å; S35-R37 WeakPolarHBondContact OG-CB 3.36Å; S35-R37 PolarHBondContact OG-N 2.95Å
36S84.6Confident78.8Confident54 Ų5464.3 Ų64.338%0.37836%0.357SS..SBendtrans-73.920.4169.758.70000112.7F63 T64 E65S36-F63 CarbonylContact O-C 3.52Å; S36-F63 WeakPolarHBondContact O-CA 3.44Å; S36-T64 VanDerWaalsContact CB-OG1 3.29Å; S36-T64 WeakPolarHBondContact CB-OG1 3.5Å; S36-T64 PolarHBondContact O-N 3.46Å; S36-T64 PolarHBondContact O-OG1 3.43Å; S36-T64 PolarHBondContact OG-OG1 3.47Å; S36-E65 PolarHBondContact O-N 3.01Å
37R89.3Confident79.2Confident99 Ų9964.7 Ų64.737%0.37436%0.363SS..EExtended strand (participates in β ladder)trans-112.2125-180179.1175.8166154.3-4.1111.1S35 D39 E65S35-R37 PolarHBondContact O-N 3.33Å; S35-R37 WeakPolarHBondContact OG-CB 3.36Å; S35-R37 PolarHBondContact OG-N 2.95Å; R37-D39 IonicContact CZ-OD2 3.65Å; R37-D39 IonicContact NE-OD2 3.76Å; R37-D39 PolarHBondContact NE-OD2 3.22Å; R37-D39 IonicContact NH2-OD2 2.72Å; R37-D39 PolarHBondContact NH2-OD2 3.45Å; R37-E65 CarbonylContact C-O 3.43Å; R37-E65 VanDerWaalsContact CA-O 3.24Å; R37-E65 WeakPolarHBondContact CA-O 3.46Å; R37-E65 HydrophobicContact CB-CB 3.89Å; R37-E65 HydrophobicContact CG-CB 3.86Å
38L89.6Confident79.6Confident3 Ų368.3 Ų68.32%0.01638%0.383CS..EExtended strand (participates in β ladder)trans-98.5116.1167.2179.960.2000108.7F4 Q26 L27 L40 F57 F63 E65 V66 S67F4-L38 HydrophobicContact CE1-CD2 4.41Å; Q26-L38 HydrophobicContact CG-CD1 3.96Å; L27-L38 HydrophobicContact CD2-CD1 4.03Å; L38-L40 HydrophobicContact CD1-CD2 4.25Å; L38-L40 HydrophobicContact CD1-CG 4.25Å; L38-L40 HydrophobicContact CD2-CD1 4.34Å; L38-L40 HydrophobicContact CG-CD1 4.36Å; L38-L40 HydrophobicContact CG-CG 4.19Å; L38-F57 HydrophobicContact CD2-CE1 3.8Å; L38-F57 HydrophobicContact CD2-CZ 3.62Å; L38-F63 HydrophobicContact CB-CD1 3.71Å; L38-F63 HydrophobicContact CB-CD2 4.41Å; L38-F63 HydrophobicContact CB-CE1 3.8Å; L38-F63 HydrophobicContact CB-CE2 4.46Å; L38-F63 HydrophobicContact CB-CG 4.03Å; L38-F63 HydrophobicContact CB-CZ 4.17Å; L38-F63 HydrophobicContact CD1-CZ 4.36Å; L38-F63 HydrophobicContact CD2-CE2 4.38Å; L38-E65 PolarHBondContact N-O 3.43Å; L38-V66 WeakPolarHBondContact O-CA 3.37Å; L38-S67 PolarHBondContact O-N 2.98Å
39D90.4Very high80.2Confident38 Ų3863.4 Ų63.420%0.20336%0.36CS..EExtended strand (participates in β ladder)trans-114.9109.7-179.3-160.8-30.3000109.7Q26 R37 S41Q26-D39 VanDerWaalsContact CG-O 3.24Å; Q26-D39 WeakPolarHBondContact CG-O 3.29Å; Q26-D39 PolarHBondContact NE2-O 2.87Å; R37-D39 IonicContact CZ-OD2 3.65Å; R37-D39 IonicContact NE-OD2 3.76Å; R37-D39 PolarHBondContact NE-OD2 3.22Å; R37-D39 IonicContact NH2-OD2 2.72Å; R37-D39 PolarHBondContact NH2-OD2 3.45Å; D39-S41 VanDerWaalsContact OD1-CB 3.23Å; D39-S41 WeakPolarHBondContact OD1-CB 3.37Å; D39-S41 PolarHBondContact OD1-N 3.44Å; D39-S41 PolarHBondContact OD1-OG 3.41Å
40L90.7Very high81Confident0 Ų060.4 Ų60.40%034%0.344CS..  trans-113.515.9176.8-61.8175.9000111.2V23 Q26 L38 H43 L45 L53 S67 L68 C71V23-L40 HydrophobicContact CB-CD2 4.41Å; V23-L40 HydrophobicContact CG2-CD1 4.16Å; V23-L40 HydrophobicContact CG2-CD2 4.12Å; Q26-L40 HydrophobicContact CB-CD2 4.03Å; Q26-L40 HydrophobicContact CG-CD2 4.28Å; L38-L40 HydrophobicContact CD1-CD2 4.25Å; L38-L40 HydrophobicContact CD1-CG 4.25Å; L38-L40 HydrophobicContact CD2-CD1 4.34Å; L38-L40 HydrophobicContact CG-CD1 4.36Å; L38-L40 HydrophobicContact CG-CG 4.19Å; L40-H43 PolarHBondContact O-N 3.01Å; L40-H43 PolarHBondContact O-ND1 3.46Å; L40-L45 HydrophobicContact CD1-CD1 4.26Å; L40-L53 HydrophobicContact CD1-CD1 4.02Å; L40-S67 PolarHBondContact N-O 3.41Å; L40-L68 HydrophobicContact CB-CD2 4.17Å; L40-L68 HydrophobicContact CD1-CD2 3.99Å; L40-C71 PolarHBondContact O-SG 2.83Å
41S91.1Very high82.8Confident45 Ų4557.8 Ų57.832%0.31533%0.325SS..THydrogen-bonded Turntrans-57.4144.1-17458.20000113D39 H43 S69D39-S41 VanDerWaalsContact OD1-CB 3.23Å; D39-S41 WeakPolarHBondContact OD1-CB 3.37Å; D39-S41 PolarHBondContact OD1-N 3.44Å; D39-S41 PolarHBondContact OD1-OG 3.41Å; S41-H43 PolarHBondContact O-N 3.25Å; S41-H43 PolarHBondContact O-ND1 3.35Å; S41-S69 CarbonylContact C-O 3.29Å; S41-S69 WeakPolarHBondContact CA-O 3.39Å
42G88.6Confident84.4Confident60 Ų6047.6 Ų47.662%0.61929%0.287SS*.THydrogen-bonded Turntrans72.6-1179.200000115.6S69G42-S69 PolarHBondContact N-O 2.86Å
43H89.8Confident86.1Confident89 Ų8947.1 Ų47.141%0.41228%0.283SS..PPolyproline II helixtrans-101.5123.8177-59.287.2000110.3S22 L40 S41 L45 C71S22-H43 VanDerWaalsContact CB-CD2 3.46Å; S22-H43 WeakPolarHBondContact CB-CD2 3.21Å; L40-H43 PolarHBondContact O-N 3.01Å; L40-H43 PolarHBondContact O-ND1 3.46Å; S41-H43 PolarHBondContact O-N 3.25Å; S41-H43 PolarHBondContact O-ND1 3.35Å; H43-L45 PolarHBondContact O-N 2.76Å; H43-C71 VanDerWaalsContact O-CA 3.27Å; H43-C71 WeakPolarHBondContact O-CA 3.44Å; H43-C71 WeakPolarHBondContact O-CB 3.49Å; H43-C71 PolarHBondContact O-SG 3.36Å; H43-C71 VanDerWaalsContact O-SG 3.32Å
44S89.9Confident87.9Confident74 Ų7444.9 Ų44.952%0.51726%0.264SS..PPolyproline II helixtrans-65.6121.1175.4-179.80000110.5Q20 C71Q20-S44 PolarHBondContact NE2-O 3.32Å; S44-C71 WeakPolarHBondContact CA-O 3.49Å
45L90.8Very high89.6Confident3 Ų341.9 Ų41.92%0.01625%0.246CC..PPolyproline II helixtrans-98.4129.3179-62.9177.6000110.6V23 L40 H43 T49 L53 L68 C71 L73V23-L45 HydrophobicContact CG2-CD2 3.99Å; L40-L45 HydrophobicContact CD1-CD1 4.26Å; H43-L45 PolarHBondContact O-N 2.76Å; L45-T49 HydrophobicContact CD2-CG2 4.17Å; L45-L53 HydrophobicContact CD1-CD1 4.26Å; L45-L68 HydrophobicContact CD1-CD2 3.61Å; L45-C71 HydrophobicContact CD1-CB 4.17Å; L45-C71 HydrophobicContact CG-CB 4.18Å; L45-C71 PolarHBondContact N-O 2.87Å; L45-C71 VanDerWaalsContact N-O 3.08Å; L45-L73 HydrophobicContact CB-CD2 4.1Å; L45-L73 HydrophobicContact CD1-CD2 4.1Å
46S90.9Very high90.5Very high49 Ų4939.6 Ų39.634%0.34323%0.23SC..PPolyproline II helixtrans-71.3158.4174.369.50000111.3D48 T49 C50S46-D48 PolarHBondContact O-N 3.47Å; S46-T49 PolarHBondContact O-N 3.5Å; S46-T49 WeakPolarHBondContact OG-CB 3.32Å; S46-T49 PolarHBondContact OG-N 3.33Å; S46-T49 PolarHBondContact OG-OG1 3.26Å; S46-C50 PolarHBondContact O-N 2.84Å; S46-C50 PolarHBondContact O-SG 3.4Å
47T91.1Very high90.8Very high58 Ų5837 Ų3736%0.35621%0.212SC..Hα-helixtrans-55.5-40.9174.942.10000112.2C50 S51 T74T47-C50 WeakPolarHBondContact O-CB 3.48Å; T47-C50 PolarHBondContact O-N 3.48Å; T47-S51 PolarHBondContact O-N 2.89Å; T47-T74 HydrophobicContact CG2-CG2 4.31Å; T47-T74 WeakPolarHBondContact CG2-OG1 3.33Å
48D90.9Very high90.8Very high89 Ų8937.4 Ų37.448%0.47622%0.218SC..Hα-helixtrans-69.7-41.4-177.5-58-23.4000110.8V17 S46 C50 S51 I52V17-D48 HydrophobicContact CB-CB 4.45Å; V17-D48 HydrophobicContact CG1-CB 3.68Å; V17-D48 HydrophobicContact CG2-CB 3.85Å; S46-D48 PolarHBondContact O-N 3.47Å; D48-C50 VanDerWaalsContact C-N 3.33Å; D48-C50 PolarHBondContact O-N 2.93Å; D48-S51 WeakPolarHBondContact O-CB 3.42Å; D48-S51 PolarHBondContact O-N 3.48Å; D48-I52 WeakPolarHBondContact O-CG1 3.28Å; D48-I52 PolarHBondContact O-N 3.08Å
49T91.6Very high90.5Very high2 Ų245.7 Ų45.71%0.01225%0.254CS..Hα-helixtrans-61.8-41.8172.6-62.70000111.3Q20 V23 L45 S46 S51 I52 L53Q20-T49 HydrophobicContact CB-CG2 4.27Å; Q20-T49 PolarHBondContact OE1-OG1 2.99Å; Q20-T49 VanDerWaalsContact OE1-OG1 3.09Å; V23-T49 HydrophobicContact CG2-CG2 3.94Å; L45-T49 HydrophobicContact CD2-CG2 4.17Å; S46-T49 PolarHBondContact O-N 3.5Å; S46-T49 WeakPolarHBondContact OG-CB 3.32Å; S46-T49 PolarHBondContact OG-N 3.33Å; S46-T49 PolarHBondContact OG-OG1 3.26Å; T49-S51 VanDerWaalsContact C-N 3.34Å; T49-S51 PolarHBondContact O-N 3Å; T49-I52 PolarHBondContact O-N 3.41Å; T49-L53 HydrophobicContact CG2-CD1 3.89Å; T49-L53 HydrophobicContact CG2-CG 4.23Å; T49-L53 WeakPolarHBondContact O-CB 3.39Å; T49-L53 VanDerWaalsContact O-CG 3.3Å; T49-L53 WeakPolarHBondContact O-CG 3.33Å; T49-L53 PolarHBondContact O-N 2.85Å
50C92.9Very high90.2Very high0 Ų044.3 Ų44.30%025%0.246CC..Hα-helixtrans-61.6-41.1175.9-66.90000112.2S46 T47 D48 L53 A54 L73 G77 L81S46-C50 PolarHBondContact O-N 2.84Å; S46-C50 PolarHBondContact O-SG 3.4Å; T47-C50 WeakPolarHBondContact O-CB 3.48Å; T47-C50 PolarHBondContact O-N 3.48Å; D48-C50 VanDerWaalsContact C-N 3.33Å; D48-C50 PolarHBondContact O-N 2.93Å; C50-L53 PolarHBondContact O-N 3.3Å; C50-A54 WeakPolarHBondContact O-CB 3.46Å; C50-A54 PolarHBondContact O-N 3.3Å; C50-L73 VanDerWaalsContact SG-CD2 3.59Å; C50-G77 WeakPolarHBondContact CB-O 3.35Å; C50-L81 HydrophobicContact CB-CB 4.3Å
51S92.4Very high89.8Confident37 Ų3747.8 Ų47.826%0.25928%0.275SS..Hα-helixtrans-63.4-42.4176.3-177.70000112.1T47 D48 T49 A54 R55T47-S51 PolarHBondContact O-N 2.89Å; D48-S51 WeakPolarHBondContact O-CB 3.42Å; D48-S51 PolarHBondContact O-N 3.48Å; T49-S51 VanDerWaalsContact C-N 3.34Å; T49-S51 PolarHBondContact O-N 3Å; S51-A54 WeakPolarHBondContact O-CB 3.41Å; S51-A54 PolarHBondContact O-N 3.4Å; S51-R55 PolarHBondContact O-N 3.25Å
52I91.9Very high89.5Confident7 Ų748.4 Ų48.44%0.03628%0.277CS..Hα-helixtrans-68.6-44.2177.2-69.4161.7000111.1Y8 L11 C12 V17 D48 T49 A54 R55 A56Y8-I52 HydrophobicContact CD2-CG2 3.6Å; Y8-I52 HydrophobicContact CE2-CB 4.33Å; Y8-I52 HydrophobicContact CE2-CG2 3.63Å; L11-I52 HydrophobicContact CB-CG2 3.7Å; C12-I52 HydrophobicContact CB-CD1 4.36Å; V17-I52 HydrophobicContact CB-CD1 3.54Å; V17-I52 HydrophobicContact CG1-CD1 3.88Å; V17-I52 HydrophobicContact CG2-CD1 3.74Å; D48-I52 WeakPolarHBondContact O-CG1 3.28Å; D48-I52 PolarHBondContact O-N 3.08Å; T49-I52 PolarHBondContact O-N 3.41Å; I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 3.05Å; I52-R55 PolarHBondContact O-N 3.11Å; I52-A56 PolarHBondContact O-N 3.15Å
53L91.3Very high89.6Confident0 Ų045.6 Ų45.60%025%0.248CC..Hα-helixtrans-60.4-39.6175.6-76174.4000111.5F4 Y8 V23 L40 L45 T49 C50 R55 A56 F57 L81F4-L53 HydrophobicContact CE1-CD2 4.45Å; F4-L53 HydrophobicContact CZ-CD2 4.44Å; Y8-L53 HydrophobicContact CD2-CD2 3.84Å; Y8-L53 HydrophobicContact CD2-CG 4.42Å; Y8-L53 HydrophobicContact CE2-CD2 3.8Å; Y8-L53 HydrophobicContact CE2-CG 4.01Å; V23-L53 HydrophobicContact CG1-CD2 4.12Å; V23-L53 HydrophobicContact CG2-CD1 4.48Å; L40-L53 HydrophobicContact CD1-CD1 4.02Å; L45-L53 HydrophobicContact CD1-CD1 4.26Å; T49-L53 HydrophobicContact CG2-CD1 3.89Å; T49-L53 HydrophobicContact CG2-CG 4.23Å; T49-L53 WeakPolarHBondContact O-CB 3.39Å; T49-L53 VanDerWaalsContact O-CG 3.3Å; T49-L53 WeakPolarHBondContact O-CG 3.33Å; T49-L53 PolarHBondContact O-N 2.85Å; C50-L53 PolarHBondContact O-N 3.3Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.05Å; L53-A56 PolarHBondContact O-N 2.95Å; L53-F57 HydrophobicContact CB-CD2 4.3Å; L53-F57 HydrophobicContact CB-CE2 4.06Å; L53-F57 WeakPolarHBondContact O-CB 3.47Å; L53-F57 WeakPolarHBondContact O-CD2 3.42Å; L53-F57 WeakPolarHBondContact O-CG 3.49Å; L53-F57 PolarHBondContact O-N 3.35Å; L53-L81 HydrophobicContact CB-CD1 3.61Å; L53-L81 HydrophobicContact CD1-CD1 4.47Å
54A92.5Very high89.7Confident6 Ų643.1 Ų43.15%0.0524%0.239CC..Hα-helixtrans-56-48.2174.700000112.1C50 S51 I52 A56 F57 Q58 M80 G84C50-A54 WeakPolarHBondContact O-CB 3.46Å; C50-A54 PolarHBondContact O-N 3.3Å; S51-A54 WeakPolarHBondContact O-CB 3.41Å; S51-A54 PolarHBondContact O-N 3.4Å; I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 3.05Å; A54-A56 VanDerWaalsContact C-N 3.32Å; A54-A56 PolarHBondContact O-N 3.12Å; A54-F57 PolarHBondContact O-N 3.33Å; A54-Q58 PolarHBondContact O-N 3.09Å; A54-Q58 VanDerWaalsContact O-N 3.08Å; A54-M80 WeakPolarHBondContact CB-O 3.48Å; A54-G84 WeakPolarHBondContact O-CA 3.48Å
55R91Very high89.9Confident118 Ų11843.1 Ų43.145%0.44523%0.231SC..Hα-helixtrans-66-36178.1-70.2178.467.3-162.9-4.7111.8L11 E14 S51 I52 L53L11-R55 HydrophobicContact CD1-CB 3.89Å; L11-R55 HydrophobicContact CD2-CB 4.46Å; L11-R55 VanDerWaalsContact CD2-CZ 3.45Å; L11-R55 VanDerWaalsContact CD2-NH2 3.32Å; E14-R55 IonicContact OE2-NH2 3.71Å; S51-R55 PolarHBondContact O-N 3.25Å; I52-R55 PolarHBondContact O-N 3.11Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.05Å
56A89.9Confident90Very high1 Ų143.1 Ų43.11%0.00823%0.231CC..Hα-helixtrans-67.3-47.2175.900000111.3F4 L11 I52 L53 A54 Q58 K59 D60F4-A56 HydrophobicContact CD2-CB 4.45Å; F4-A56 HydrophobicContact CE1-CB 4.35Å; F4-A56 HydrophobicContact CE2-CB 3.66Å; F4-A56 HydrophobicContact CZ-CB 3.61Å; L11-A56 HydrophobicContact CD1-CB 4.08Å; I52-A56 PolarHBondContact O-N 3.15Å; L53-A56 PolarHBondContact O-N 2.95Å; A54-A56 VanDerWaalsContact C-N 3.32Å; A54-A56 PolarHBondContact O-N 3.12Å; A56-Q58 VanDerWaalsContact C-N 3.28Å; A56-Q58 PolarHBondContact O-N 3.27Å; A56-K59 PolarHBondContact O-N 3.27Å; A56-D60 PolarHBondContact O-N 3.28Å; A56-D60 VanDerWaalsContact O-N 3.16Å
57F90.3Very high90.2Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-63.5-30.8178.4-73.7-50.4000113.5F4 L38 L53 A54 K59 D60 V66 L81 L85 N88F4-F57 AromaticContact CE2-CD1 3.97Å; F4-F57 HydrophobicContact CE2-CD1 3.97Å; F4-F57 HydrophobicContact CE2-CE1 4.26Å; F4-F57 HydrophobicContact CZ-CD1 4.01Å; F4-F57 AromaticContact CZ-CE1 3.93Å; F4-F57 HydrophobicContact CZ-CE1 3.93Å; L38-F57 HydrophobicContact CD2-CE1 3.8Å; L38-F57 HydrophobicContact CD2-CZ 3.62Å; L53-F57 HydrophobicContact CB-CD2 4.3Å; L53-F57 HydrophobicContact CB-CE2 4.06Å; L53-F57 WeakPolarHBondContact O-CB 3.47Å; L53-F57 WeakPolarHBondContact O-CD2 3.42Å; L53-F57 WeakPolarHBondContact O-CG 3.49Å; L53-F57 PolarHBondContact O-N 3.35Å; A54-F57 PolarHBondContact O-N 3.33Å; F57-K59 PolarHBondContact O-N 3.46Å; F57-D60 PolarHBondContact O-N 3.33Å; F57-D60 VanDerWaalsContact O-N 3.15Å; F57-V66 HydrophobicContact CE1-CG1 4.43Å; F57-V66 HydrophobicContact CE1-CG2 3.85Å; F57-V66 HydrophobicContact CE2-CG1 4.49Å; F57-V66 HydrophobicContact CZ-CG1 3.83Å; F57-V66 HydrophobicContact CZ-CG2 4.1Å; F57-L81 HydrophobicContact CD2-CD1 4.1Å; F57-L81 HydrophobicContact CE2-CD1 3.93Å; F57-L85 HydrophobicContact CB-CD2 3.9Å; F57-L85 HydrophobicContact CD2-CD2 4.41Å; F57-L85 HydrophobicContact CG-CD2 4.09Å; F57-N88 PolarHBondContact O-ND2 3.07Å
58Q89.1Confident90.3Very high107 Ų10738.3 Ų38.350%0.520%0.2SC..Hα-helixtrans-59.4-33.4177.8-169.7177.534.300112.8A54 A56A54-Q58 PolarHBondContact O-N 3.09Å; A54-Q58 VanDerWaalsContact O-N 3.08Å; A56-Q58 VanDerWaalsContact C-N 3.28Å; A56-Q58 PolarHBondContact O-N 3.27Å
59K82.8Confident90.5Very high176 Ų17634.6 Ų34.677%0.76518%0.181SC*.Hα-helixtrans-100.5-3.7178.8-65-175.1179.1-178.60113.2A56 F57A56-K59 PolarHBondContact O-N 3.27Å; F57-K59 PolarHBondContact O-N 3.46Å
60D85Confident90.6Very high9 Ų938.3 Ų38.35%0.04820%0.201CC..  trans-72.7136.5-176.4-175.451.9000111.3F4 A56 F57 V62 F63 N88 S90F4-D60 HydrophobicContact CD2-CB 3.86Å; F4-D60 WeakPolarHBondContact CD2-OD1 3.47Å; F4-D60 HydrophobicContact CE2-CB 3.81Å; A56-D60 PolarHBondContact O-N 3.28Å; A56-D60 VanDerWaalsContact O-N 3.16Å; F57-D60 PolarHBondContact O-N 3.33Å; F57-D60 VanDerWaalsContact O-N 3.15Å; D60-V62 WeakPolarHBondContact OD1-CB 3.3Å; D60-V62 PolarHBondContact OD1-N 3.36Å; D60-V62 VanDerWaalsContact OD1-N 3.1Å; D60-V62 PolarHBondContact OD2-N 3.01Å; D60-F63 WeakPolarHBondContact OD2-CB 3.38Å; D60-F63 WeakPolarHBondContact OD2-CD2 3.37Å; D60-F63 PolarHBondContact OD2-N 2.98Å; D60-N88 PolarHBondContact O-ND2 2.95Å; D60-S90 PolarHBondContact O-OG 3.04Å; D60-S90 PolarHBondContact OD2-OG 3.05Å
61A83.1Confident90.7Very high73 Ų7338.3 Ų38.360%0.60320%0.201SC*.  trans-1232.1173.900000111.8
62V84.9Confident90.5Very high59 Ų5943 Ų4336%0.35822%0.22SC..SBendtrans-102-45.5-166.9-177.20000111.9D60 T64D60-V62 WeakPolarHBondContact OD1-CB 3.3Å; D60-V62 PolarHBondContact OD1-N 3.36Å; D60-V62 VanDerWaalsContact OD1-N 3.1Å; D60-V62 PolarHBondContact OD2-N 3.01Å; V62-T64 PolarHBondContact O-N 3.17Å
63F89.3Confident90.5Very high1 Ų143.1 Ų43.10%0.00422%0.221CC..  trans-82.6123.5-174.9-65.4-68.4000111M1 F4 L27 S36 L38 D60 V66 S90 V91M1-F63 HydrophobicContact CG-CE1 3.84Å; M1-F63 HydrophobicContact CG-CZ 3.55Å; M1-F63 HydrophobicContact SD-CE1 4.09Å; M1-F63 HydrophobicContact SD-CZ 4.3Å; F4-F63 HydrophobicContact CB-CE2 3.99Å; F4-F63 HydrophobicContact CD1-CD2 4.49Å; F4-F63 AromaticContact CD1-CE2 3.62Å; F4-F63 HydrophobicContact CD1-CE2 3.62Å; F4-F63 HydrophobicContact CD1-CZ 4.46Å; F4-F63 HydrophobicContact CD2-CD2 4.11Å; F4-F63 AromaticContact CD2-CE2 3.92Å; F4-F63 HydrophobicContact CD2-CE2 3.92Å; F4-F63 AromaticContact CE1-CE2 4Å; F4-F63 HydrophobicContact CE1-CE2 4Å; F4-F63 HydrophobicContact CE2-CD2 4.25Å; F4-F63 HydrophobicContact CE2-CE2 4.27Å; F4-F63 HydrophobicContact CG-CD2 4.23Å; F4-F63 AromaticContact CG-CE2 3.57Å; F4-F63 HydrophobicContact CG-CE2 3.57Å; F4-F63 HydrophobicContact CZ-CD2 4.49Å; F4-F63 HydrophobicContact CZ-CE2 4.3Å; L27-F63 HydrophobicContact CD2-CE2 4.3Å; L27-F63 HydrophobicContact CD2-CZ 3.83Å; S36-F63 CarbonylContact O-C 3.52Å; S36-F63 WeakPolarHBondContact O-CA 3.44Å; L38-F63 HydrophobicContact CB-CD1 3.71Å; L38-F63 HydrophobicContact CB-CD2 4.41Å; L38-F63 HydrophobicContact CB-CE1 3.8Å; L38-F63 HydrophobicContact CB-CE2 4.46Å; L38-F63 HydrophobicContact CB-CG 4.03Å; L38-F63 HydrophobicContact CB-CZ 4.17Å; L38-F63 HydrophobicContact CD1-CZ 4.36Å; L38-F63 HydrophobicContact CD2-CE2 4.38Å; D60-F63 WeakPolarHBondContact OD2-CB 3.38Å; D60-F63 WeakPolarHBondContact OD2-CD2 3.37Å; D60-F63 PolarHBondContact OD2-N 2.98Å; F63-V66 HydrophobicContact CB-CG2 4.33Å; F63-S90 CarbonylContact O-C 3.23Å; F63-S90 VanDerWaalsContact O-CB 3.25Å; F63-S90 WeakPolarHBondContact O-CB 3.31Å; F63-S90 PolarHBondContact O-OG 3.44Å; F63-V91 WeakPolarHBondContact O-CG2 3.48Å; F63-V91 PolarHBondContact O-N 3.16Å
64T91.9Very high90.5Very high37 Ų3746.2 Ų46.223%0.22724%0.24CC..SBendtrans-98.7-24.5173.660.10000111.9S36 V62 S90 K92 C93S36-T64 VanDerWaalsContact CB-OG1 3.29Å; S36-T64 WeakPolarHBondContact CB-OG1 3.5Å; S36-T64 PolarHBondContact O-N 3.46Å; S36-T64 PolarHBondContact O-OG1 3.43Å; S36-T64 PolarHBondContact OG-OG1 3.47Å; V62-T64 PolarHBondContact O-N 3.17Å; T64-S90 WeakPolarHBondContact CA-O 3.38Å; T64-K92 PolarHBondContact O-N 2.93Å; T64-C93 PolarHBondContact O-N 3.35Å
65E93.6Very high90.3Very high73 Ų7350 Ų5034%0.34126%0.256SS..EExtended strand (participates in β ladder)trans-126.5130178.9-51.3-168.1165.100109.7S36 R37 L38 C93S36-E65 PolarHBondContact O-N 3.01Å; R37-E65 CarbonylContact C-O 3.43Å; R37-E65 VanDerWaalsContact CA-O 3.24Å; R37-E65 WeakPolarHBondContact CA-O 3.46Å; R37-E65 HydrophobicContact CB-CB 3.89Å; R37-E65 HydrophobicContact CG-CB 3.86Å; L38-E65 PolarHBondContact N-O 3.43Å; E65-C93 CarbonylContact C-O 3.53Å; E65-C93 WeakPolarHBondContact CA-O 3.5Å; E65-C93 HydrophobicContact CB-CB 4.12Å; E65-C93 HydrophobicContact CG-CB 3.88Å
66V93.8Very high90.3Very high3 Ų349.1 Ų49.12%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-128.5116177.7178.50000107.5L38 F57 F63 L68 V91 C93 L94 D95L38-V66 WeakPolarHBondContact O-CA 3.37Å; F57-V66 HydrophobicContact CE1-CG1 4.43Å; F57-V66 HydrophobicContact CE1-CG2 3.85Å; F57-V66 HydrophobicContact CE2-CG1 4.49Å; F57-V66 HydrophobicContact CZ-CG1 3.83Å; F57-V66 HydrophobicContact CZ-CG2 4.1Å; F63-V66 HydrophobicContact CB-CG2 4.33Å; V66-L68 HydrophobicContact CG1-CD1 3.85Å; V66-L68 HydrophobicContact CG1-CG 3.91Å; V66-V91 HydrophobicContact CB-CG1 4.45Å; V66-V91 HydrophobicContact CG2-CG1 4.08Å; V66-V91 HydrophobicContact CG2-CG2 3.85Å; V66-C93 PolarHBondContact N-O 3.37Å; V66-L94 HydrophobicContact CB-CD1 4.17Å; V66-L94 HydrophobicContact CG1-CD1 4.23Å; V66-L94 WeakPolarHBondContact O-CA 3.48Å; V66-D95 PolarHBondContact O-N 2.96Å
67S94.6Very high90.3Very high5 Ų549 Ų494%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-108.5123.3172.6-176.20000110.2L38 L40 D95L38-S67 PolarHBondContact O-N 2.98Å; L40-S67 PolarHBondContact N-O 3.41Å; S67-D95 PolarHBondContact OG-OD2 2.98Å
68L94.4Very high90.4Very high1 Ų149.1 Ų49.11%0.00526%0.257CS..  trans-126.433.6179.2-63.3158.5000108.6L40 L45 V66 C71 L81 L94 D95 L96 N99L40-L68 HydrophobicContact CB-CD2 4.17Å; L40-L68 HydrophobicContact CD1-CD2 3.99Å; L45-L68 HydrophobicContact CD1-CD2 3.61Å; V66-L68 HydrophobicContact CG1-CD1 3.85Å; V66-L68 HydrophobicContact CG1-CG 3.91Å; L68-C71 VanDerWaalsContact CA-SG 3.59Å; L68-C71 PolarHBondContact O-SG 3.46Å; L68-C71 VanDerWaalsContact O-SG 3.41Å; L68-L81 HydrophobicContact CD1-CD2 3.51Å; L68-L81 HydrophobicContact CD1-CG 4.48Å; L68-L81 HydrophobicContact CD2-CD2 4.35Å; L68-L94 HydrophobicContact CD1-CD1 4.19Å; L68-D95 CarbonylContact C-O 3.6Å; L68-D95 WeakPolarHBondContact CA-O 3.4Å; L68-D95 PolarHBondContact N-O 3.5Å; L68-L96 HydrophobicContact CB-CD2 4.01Å; L68-L96 HydrophobicContact CD1-CD2 3.79Å; L68-N99 PolarHBondContact O-ND2 2.88Å; L68-N99 PolarHBondContact O-OD1 3.21Å
69S95.1Very high90.6Very high12 Ų1248.5 Ų48.58%0.08425%0.253CS..THydrogen-bonded Turntrans-63.9135.2-179.2-174.20000110.8S41 G42 C71 K97S41-S69 CarbonylContact C-O 3.29Å; S41-S69 WeakPolarHBondContact CA-O 3.39Å; G42-S69 PolarHBondContact N-O 2.86Å; S69-C71 PolarHBondContact O-N 3.34Å; S69-K97 CarbonylContact C-O 3.46Å; S69-K97 VanDerWaalsContact CA-O 3.3Å; S69-K97 WeakPolarHBondContact CA-O 3.24Å; S69-K97 WeakPolarHBondContact OG-CB 3.48Å
70D93.8Very high91.1Very high80 Ų8043.7 Ų43.743%0.42823%0.234SC..THydrogen-bonded Turntrans54.236.7174.6-52.8-64.4000113.2M72 K97 G98D70-M72 VanDerWaalsContact C-N 3.32Å; D70-K97 PolarHBondContact N-O 3.47Å; D70-G98 WeakPolarHBondContact OD1-CA 3.44Å
71C93.4Very high91.4Very high0 Ų043.3 Ų43.30%023%0.232CC..  trans-87.13.7179.5-73.60000113.9L40 H43 S44 L45 L68 S69 L73 N99L40-C71 PolarHBondContact O-SG 2.83Å; H43-C71 VanDerWaalsContact O-CA 3.27Å; H43-C71 WeakPolarHBondContact O-CA 3.44Å; H43-C71 WeakPolarHBondContact O-CB 3.49Å; H43-C71 PolarHBondContact O-SG 3.36Å; H43-C71 VanDerWaalsContact O-SG 3.32Å; S44-C71 WeakPolarHBondContact CA-O 3.49Å; L45-C71 HydrophobicContact CD1-CB 4.17Å; L45-C71 HydrophobicContact CG-CB 4.18Å; L45-C71 PolarHBondContact N-O 2.87Å; L45-C71 VanDerWaalsContact N-O 3.08Å; L68-C71 VanDerWaalsContact CA-SG 3.59Å; L68-C71 PolarHBondContact O-SG 3.46Å; L68-C71 VanDerWaalsContact O-SG 3.41Å; S69-C71 PolarHBondContact O-N 3.34Å; C71-L73 HydrophobicContact CB-CD2 4.17Å; C71-L73 HydrophobicContact CB-CG 4.09Å; C71-L73 PolarHBondContact O-N 3.48Å; C71-N99 WeakPolarHBondContact CA-OD1 3.49Å; C71-N99 PolarHBondContact N-OD1 3.42Å
72M89.8Confident91.9Very high135 Ų13540 Ų4067%0.66520%0.204SC*.  trans49.242.5-178.4-64.7-66.5-6900112.5D70 T74 N99D70-M72 VanDerWaalsContact C-N 3.32Å; M72-T74 PolarHBondContact O-N 2.99Å; M72-N99 PolarHBondContact N-OD1 3.34Å
73L91.3Very high92.2Very high10 Ų1039.2 Ų39.25%0.05220%0.204CC..  trans-59.9124.5-178.2-63.4173.4000110.4L45 C50 C71 T78 L81 L96 N99L45-L73 HydrophobicContact CB-CD2 4.1Å; L45-L73 HydrophobicContact CD1-CD2 4.1Å; C50-L73 VanDerWaalsContact SG-CD2 3.59Å; C71-L73 HydrophobicContact CB-CD2 4.17Å; C71-L73 HydrophobicContact CB-CG 4.09Å; C71-L73 PolarHBondContact O-N 3.48Å; L73-T78 WeakPolarHBondContact CB-OG1 3.49Å; L73-L81 HydrophobicContact CD1-CD2 4.18Å; L73-L81 HydrophobicContact CD2-CD2 4.21Å; L73-L96 HydrophobicContact CD1-CD2 3.84Å; L73-N99 HydrophobicContact CB-CB 4.22Å; L73-N99 HydrophobicContact CD1-CB 4.21Å; L73-N99 HydrophobicContact CG-CB 4.34Å; L73-N99 WeakPolarHBondContact CG-OD1 3.36Å; L73-N99 PolarHBondContact N-OD1 3.4Å
74T90.4Very high92.2Very high65 Ų6539.5 Ų39.540%0.39921%0.207SC..  trans-69.2162.717262.90000110.5T47 M72 E76 G77 T78T47-T74 HydrophobicContact CG2-CG2 4.31Å; T47-T74 WeakPolarHBondContact CG2-OG1 3.33Å; M72-T74 PolarHBondContact O-N 2.99Å; T74-E76 VanDerWaalsContact C-N 3.34Å; T74-E76 PolarHBondContact O-N 2.93Å; T74-G77 PolarHBondContact O-N 3.46Å; T74-G77 PolarHBondContact OG1-N 3.32Å; T74-G77 VanDerWaalsContact OG1-N 3.11Å; T74-T78 WeakPolarHBondContact O-CB 3.47Å; T74-T78 PolarHBondContact O-N 2.91Å; T74-T78 PolarHBondContact O-OG1 3Å
75E89.3Confident92.2Very high84 Ų8437.9 Ų37.939%0.39320%0.197SC..Hα-helixtrans-59.3-44.3179.4-63.9-174.5-172.300111.9K79 R102 T104E75-K79 WeakPolarHBondContact O-CB 3.42Å; E75-K79 PolarHBondContact O-N 3.29Å; E75-K79 VanDerWaalsContact O-N 3.08Å; E75-R102 IonicContact OE1-NH1 3.34Å; E75-T104 HydrophobicContact CB-CG2 4.49Å; E75-T104 WeakPolarHBondContact CB-OG1 3.45Å; E75-T104 WeakPolarHBondContact CG-OG1 3.4Å; E75-T104 WeakPolarHBondContact OE2-CG2 3.49Å
76E90.3Very high92Very high100 Ų10036.5 Ų36.547%0.46719%0.19SC..Hα-helixtrans-71-38.6177-154.363.1-154.200111.5T74 T78 K79 M80T74-E76 VanDerWaalsContact C-N 3.34Å; T74-E76 PolarHBondContact O-N 2.93Å; E76-T78 PolarHBondContact O-N 3.03Å; E76-K79 PolarHBondContact O-N 3.41Å; E76-K79 IonicContact OE1-NZ 2.66Å; E76-K79 PolarHBondContact OE1-NZ 3.46Å; E76-K79 IonicContact OE2-NZ 3.51Å; E76-M80 VanDerWaalsContact O-CG 3.23Å; E76-M80 WeakPolarHBondContact O-CG 3.41Å; E76-M80 PolarHBondContact O-N 3.24Å
77G91Very high91.6Very high0 Ų042.7 Ų42.70%022%0.218CC..Hα-helixtrans-60-45.2175.100000112.2C50 T74 M80 L81C50-G77 WeakPolarHBondContact CB-O 3.35Å; T74-G77 PolarHBondContact O-N 3.46Å; T74-G77 PolarHBondContact OG1-N 3.32Å; T74-G77 VanDerWaalsContact OG1-N 3.11Å; G77-M80 PolarHBondContact O-N 3.24Å; G77-L81 VanDerWaalsContact O-CB 3.23Å; G77-L81 WeakPolarHBondContact O-CB 3.38Å; G77-L81 PolarHBondContact O-N 3.44Å
78T92.1Very high91.4Very high2 Ų242.6 Ų42.61%0.01222%0.217CC..Hα-helixtrans-57-51.6174.8-64.90000111.2L73 T74 E76 M80 L81 L82 L101L73-T78 WeakPolarHBondContact CB-OG1 3.49Å; T74-T78 WeakPolarHBondContact O-CB 3.47Å; T74-T78 PolarHBondContact O-N 2.91Å; T74-T78 PolarHBondContact O-OG1 3Å; E76-T78 PolarHBondContact O-N 3.03Å; T78-M80 VanDerWaalsContact C-N 3.34Å; T78-M80 PolarHBondContact O-N 3.28Å; T78-L81 PolarHBondContact O-N 2.97Å; T78-L82 HydrophobicContact CG2-CD1 3.72Å; T78-L82 HydrophobicContact CG2-CG 4.26Å; T78-L82 WeakPolarHBondContact O-CB 3.31Å; T78-L82 VanDerWaalsContact O-CG 3.31Å; T78-L82 WeakPolarHBondContact O-CG 3.47Å; T78-L82 PolarHBondContact O-N 3.3Å; T78-L101 HydrophobicContact CG2-CD2 3.61Å; T78-L101 WeakPolarHBondContact OG1-CD2 3.29Å
79K93.1Very high91.2Very high94 Ų9448.8 Ų48.841%0.40925%0.249SC..Hα-helixtrans-58.8-46.2-178.8175.1179.3161.1-149.50111.7E75 E76 A83 V108E75-K79 WeakPolarHBondContact O-CB 3.42Å; E75-K79 PolarHBondContact O-N 3.29Å; E75-K79 VanDerWaalsContact O-N 3.08Å; E76-K79 PolarHBondContact O-N 3.41Å; E76-K79 IonicContact OE1-NZ 2.66Å; E76-K79 PolarHBondContact OE1-NZ 3.46Å; E76-K79 IonicContact OE2-NZ 3.51Å; K79-A83 WeakPolarHBondContact O-CB 3.25Å; K79-A83 PolarHBondContact O-N 3.38Å; K79-V108 HydrophobicContact CB-CG2 4.12Å; K79-V108 HydrophobicContact CG-CG2 3.99Å
80M92.4Very high91Very high75 Ų7548.8 Ų48.837%0.36925%0.249SC..Hα-helixtrans-64.6-48.8178.5-65.2-59.9-74.200111.2A54 E76 G77 T78 L82 A83 G84A54-M80 WeakPolarHBondContact CB-O 3.48Å; E76-M80 VanDerWaalsContact O-CG 3.23Å; E76-M80 WeakPolarHBondContact O-CG 3.41Å; E76-M80 PolarHBondContact O-N 3.24Å; G77-M80 PolarHBondContact O-N 3.24Å; T78-M80 VanDerWaalsContact C-N 3.34Å; T78-M80 PolarHBondContact O-N 3.28Å; M80-L82 PolarHBondContact O-N 3.06Å; M80-A83 PolarHBondContact O-N 2.98Å; M80-G84 PolarHBondContact O-N 3.38Å
81L92.4Very high91Very high1 Ų145 Ų451%0.00523%0.229CC..Hα-helixtrans-59.4-49.7-178.4-168.565.6000112.2C50 L53 F57 L68 L73 G77 T78 G84C50-L81 HydrophobicContact CB-CB 4.3Å; L53-L81 HydrophobicContact CB-CD1 3.61Å; L53-L81 HydrophobicContact CD1-CD1 4.47Å; F57-L81 HydrophobicContact CD2-CD1 4.1Å; F57-L81 HydrophobicContact CE2-CD1 3.93Å; L68-L81 HydrophobicContact CD1-CD2 3.51Å; L68-L81 HydrophobicContact CD1-CG 4.48Å; L68-L81 HydrophobicContact CD2-CD2 4.35Å; L73-L81 HydrophobicContact CD1-CD2 4.18Å; L73-L81 HydrophobicContact CD2-CD2 4.21Å; G77-L81 VanDerWaalsContact O-CB 3.23Å; G77-L81 WeakPolarHBondContact O-CB 3.38Å; G77-L81 PolarHBondContact O-N 3.44Å; T78-L81 PolarHBondContact O-N 2.97Å; L81-G84 PolarHBondContact O-N 2.98Å
82L92.6Very high91.1Very high3 Ų350.2 Ų50.22%0.01625%0.251CS..Hα-helixtrans-68.4-33.9179.9-68-178.6000112.5T78 M80 G84 L85 F86 L94 L96 V108 L109 L112T78-L82 HydrophobicContact CG2-CD1 3.72Å; T78-L82 HydrophobicContact CG2-CG 4.26Å; T78-L82 WeakPolarHBondContact O-CB 3.31Å; T78-L82 VanDerWaalsContact O-CG 3.31Å; T78-L82 WeakPolarHBondContact O-CG 3.47Å; T78-L82 PolarHBondContact O-N 3.3Å; M80-L82 PolarHBondContact O-N 3.06Å; L82-G84 PolarHBondContact O-N 3Å; L82-L85 HydrophobicContact CD2-CD1 4.27Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 PolarHBondContact O-N 3.49Å; L82-F86 WeakPolarHBondContact O-CD1 3.5Å; L82-F86 PolarHBondContact O-N 3.26Å; L82-L94 HydrophobicContact CD2-CD2 4.05Å; L82-L96 HydrophobicContact CD2-CD1 3.88Å; L82-V108 HydrophobicContact CB-CG1 3.53Å; L82-V108 HydrophobicContact CD1-CB 4.19Å; L82-V108 HydrophobicContact CD1-CG1 3.88Å; L82-V108 HydrophobicContact CG-CG1 4.36Å; L82-L109 HydrophobicContact CD1-CD2 3.69Å; L82-L109 HydrophobicContact CD1-CG 3.75Å; L82-L109 HydrophobicContact CD2-CD2 4.15Å; L82-L112 HydrophobicContact CD2-CD2 3.97Å
83A91.4Very high91.4Very high42 Ų4245 Ų4535%0.34723%0.228SC..Hα-helixtrans-60.8-34174.700000112.1K79 M80 L85 F86K79-A83 WeakPolarHBondContact O-CB 3.25Å; K79-A83 PolarHBondContact O-N 3.38Å; M80-A83 PolarHBondContact O-N 2.98Å; A83-L85 PolarHBondContact O-N 3.39Å; A83-F86 PolarHBondContact O-N 2.97Å
84G89.1Confident91.7Very high7 Ų744.7 Ų44.77%0.07223%0.226CC..Hα-helixtrans-61.7-28172.400000113.8A54 M80 L81 L82A54-G84 WeakPolarHBondContact O-CA 3.48Å; M80-G84 PolarHBondContact O-N 3.38Å; L81-G84 PolarHBondContact O-N 2.98Å; L82-G84 PolarHBondContact O-N 3Å
85L91.8Very high92Very high3 Ų343.3 Ų43.32%0.01622%0.217CC..Hα-helixtrans-87.2-7.6-178.5-66.3172000114.2F57 L82 A83 H87 N88 V91 L94 L112 N116F57-L85 HydrophobicContact CB-CD2 3.9Å; F57-L85 HydrophobicContact CD2-CD2 4.41Å; F57-L85 HydrophobicContact CG-CD2 4.09Å; L82-L85 HydrophobicContact CD2-CD1 4.27Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 PolarHBondContact O-N 3.49Å; A83-L85 PolarHBondContact O-N 3.39Å; L85-H87 PolarHBondContact O-N 2.97Å; L85-N88 HydrophobicContact CD2-CB 4.02Å; L85-N88 PolarHBondContact O-N 3.16Å; L85-V91 HydrophobicContact CD2-CB 4.48Å; L85-V91 HydrophobicContact CD2-CG2 4.04Å; L85-L94 HydrophobicContact CD1-CD1 4.22Å; L85-L94 HydrophobicContact CD1-CD2 3.92Å; L85-L112 HydrophobicContact CB-CD1 3.72Å; L85-N116 PolarHBondContact O-ND2 3.44Å
86F90.6Very high92.3Very high44 Ų4439.3 Ų39.319%0.19320%0.198CC..THydrogen-bonded Turntrans-56.6-38.9-178.5-77.611.7000112.9L82 A83 V108 K111 L112L82-F86 WeakPolarHBondContact O-CD1 3.5Å; L82-F86 PolarHBondContact O-N 3.26Å; A83-F86 PolarHBondContact O-N 2.97Å; F86-V108 HydrophobicContact CE1-CG1 4.15Å; F86-V108 HydrophobicContact CZ-CG1 4.19Å; F86-K111 HydrophobicContact CE1-CB 4.33Å; F86-K111 HydrophobicContact CE2-CB 4.2Å; F86-K111 HydrophobicContact CZ-CB 3.64Å; F86-L112 HydrophobicContact CD1-CB 4.02Å; F86-L112 HydrophobicContact CD1-CD1 3.65Å; F86-L112 HydrophobicContact CD1-CG 4.46Å; F86-L112 HydrophobicContact CE1-CB 3.78Å; F86-L112 HydrophobicContact CE1-CD1 4.25Å
87H85.3Confident92.6Very high133 Ų13337.8 Ų37.862%0.61619%0.19SC*.THydrogen-bonded Turntrans-111.48-177.7-5791.2000112.7L85L85-H87 PolarHBondContact O-N 2.97Å
88N90.4Very high92.8Very high3 Ų338.5 Ų38.52%0.01620%0.197CC..  trans-69.3136.9179.2176.2-83.7000110.4F57 D60 L85 S90 V91 N116 T118F57-N88 PolarHBondContact O-ND2 3.07Å; D60-N88 PolarHBondContact O-ND2 2.95Å; L85-N88 HydrophobicContact CD2-CB 4.02Å; L85-N88 PolarHBondContact O-N 3.16Å; N88-S90 PolarHBondContact ND2-OG 3.36Å; N88-S90 VanDerWaalsContact ND2-OG 3.17Å; N88-S90 PolarHBondContact OD1-N 2.72Å; N88-S90 PolarHBondContact OD1-OG 2.83Å; N88-V91 WeakPolarHBondContact OD1-CB 3.34Å; N88-V91 WeakPolarHBondContact OD1-CG2 3.43Å; N88-V91 PolarHBondContact OD1-N 2.92Å; N88-N116 PolarHBondContact O-ND2 3.19Å; N88-T118 PolarHBondContact O-OG1 3.07Å
89I89.1Confident92.9Very high132 Ų13238.6 Ų38.668%0.67720%0.198SC*.SBendtrans-106.8-5.6-174.861.6168.7000114
90S91.1Very high92.7Very high11 Ų1137.6 Ų37.68%0.07720%0.197CC..SBendtrans-105.6-40.2-171.757.40000113.8D60 F63 T64 N88 K92D60-S90 PolarHBondContact O-OG 3.04Å; D60-S90 PolarHBondContact OD2-OG 3.05Å; F63-S90 CarbonylContact O-C 3.23Å; F63-S90 VanDerWaalsContact O-CB 3.25Å; F63-S90 WeakPolarHBondContact O-CB 3.31Å; F63-S90 PolarHBondContact O-OG 3.44Å; T64-S90 WeakPolarHBondContact CA-O 3.38Å; N88-S90 PolarHBondContact ND2-OG 3.36Å; N88-S90 VanDerWaalsContact ND2-OG 3.17Å; N88-S90 PolarHBondContact OD1-N 2.72Å; N88-S90 PolarHBondContact OD1-OG 2.83Å; S90-K92 PolarHBondContact O-N 2.82Å
91V94.3Very high92.7Very high1 Ų134.1 Ų34.11%0.00618%0.18CC..  trans-71119.5-171.6-178.10000110.2F63 V66 L85 N88 T118 L119F63-V91 WeakPolarHBondContact O-CG2 3.48Å; F63-V91 PolarHBondContact O-N 3.16Å; V66-V91 HydrophobicContact CB-CG1 4.45Å; V66-V91 HydrophobicContact CG2-CG1 4.08Å; V66-V91 HydrophobicContact CG2-CG2 3.85Å; L85-V91 HydrophobicContact CD2-CB 4.48Å; L85-V91 HydrophobicContact CD2-CG2 4.04Å; N88-V91 WeakPolarHBondContact OD1-CB 3.34Å; N88-V91 WeakPolarHBondContact OD1-CG2 3.43Å; N88-V91 PolarHBondContact OD1-N 2.92Å; V91-T118 CarbonylContact O-C 3.6Å; V91-T118 PolarHBondContact O-OG1 3.44Å; V91-L119 HydrophobicContact CG1-CD2 3.84Å
92K95.4Very high92.7Very high109 Ų10938.9 Ų38.947%0.47420%0.198SC..  trans-107.6-32.9178.5-62.9-179.7-176.7177.70112.4T64 S90 H120 R121T64-K92 PolarHBondContact O-N 2.93Å; S90-K92 PolarHBondContact O-N 2.82Å; K92-H120 PolarHBondContact O-N 2.97Å; K92-R121 PolarHBondContact O-N 3.12Å
93C96.6Very high92.7Very high27 Ų2740 Ų4018%0.18221%0.205CC..EExtended strand (participates in β ladder)trans-120.3121.8179.5-59.10000109.3T64 E65 V66 R121T64-C93 PolarHBondContact O-N 3.35Å; E65-C93 CarbonylContact C-O 3.53Å; E65-C93 WeakPolarHBondContact CA-O 3.5Å; E65-C93 HydrophobicContact CB-CB 4.12Å; E65-C93 HydrophobicContact CG-CB 3.88Å; V66-C93 PolarHBondContact N-O 3.37Å; C93-R121 WeakPolarHBondContact CA-O 3.23Å; C93-R121 HydrophobicContact CB-CB 4.28Å
94L96.6Very high92.8Very high2 Ų239.9 Ų39.91%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-121.7122175.417961.3000109.3V66 L68 L82 L85 L96 L112 L119 R121 L122 V123V66-L94 HydrophobicContact CB-CD1 4.17Å; V66-L94 HydrophobicContact CG1-CD1 4.23Å; V66-L94 WeakPolarHBondContact O-CA 3.48Å; L68-L94 HydrophobicContact CD1-CD1 4.19Å; L82-L94 HydrophobicContact CD2-CD2 4.05Å; L85-L94 HydrophobicContact CD1-CD1 4.22Å; L85-L94 HydrophobicContact CD1-CD2 3.92Å; L94-L96 HydrophobicContact CD1-CD1 4.46Å; L94-L96 HydrophobicContact CD1-CD2 4.44Å; L94-L96 HydrophobicContact CD1-CG 4.14Å; L94-L96 HydrophobicContact CD2-CD1 3.75Å; L94-L96 HydrophobicContact CD2-CG 4.31Å; L94-L96 HydrophobicContact CG-CD1 3.94Å; L94-L96 HydrophobicContact CG-CG 3.96Å; L94-L112 HydrophobicContact CD2-CD2 4.19Å; L94-L119 HydrophobicContact CB-CD2 3.75Å; L94-L119 HydrophobicContact CD2-CD1 4.5Å; L94-R121 PolarHBondContact N-O 3.5Å; L94-L122 HydrophobicContact CB-CD1 4.06Å; L94-L122 HydrophobicContact CD2-CD1 4.03Å; L94-L122 HydrophobicContact CG-CD1 4.1Å; L94-L122 WeakPolarHBondContact O-CA 3.39Å; L94-V123 PolarHBondContact O-N 3.28Å
95D96.9Very high92.9Very high37 Ų3739.6 Ų39.620%0.19820%0.197CC..EExtended strand (participates in β ladder)trans-114116.7176.4173.120.2000110.1V66 S67 L68 K97 V123V66-D95 PolarHBondContact O-N 2.96Å; S67-D95 PolarHBondContact OG-OD2 2.98Å; L68-D95 CarbonylContact C-O 3.6Å; L68-D95 WeakPolarHBondContact CA-O 3.4Å; L68-D95 PolarHBondContact N-O 3.5Å; D95-K97 VanDerWaalsContact OD1-CB 3.3Å; D95-K97 WeakPolarHBondContact OD1-CB 3.16Å; D95-K97 PolarHBondContact OD1-N 3.43Å; D95-V123 HydrophobicContact CB-CB 4.14Å; D95-V123 WeakPolarHBondContact OD1-CG1 3.37Å
96L96.3Very high93.1Very high0 Ų039.4 Ų39.40%020%0.197CC..  trans-124.125.4-177.8-70.5166000110.7L68 L73 L82 L94 N99 L101 L109 L122 V123 L124 N127L68-L96 HydrophobicContact CB-CD2 4.01Å; L68-L96 HydrophobicContact CD1-CD2 3.79Å; L73-L96 HydrophobicContact CD1-CD2 3.84Å; L82-L96 HydrophobicContact CD2-CD1 3.88Å; L94-L96 HydrophobicContact CD1-CD1 4.46Å; L94-L96 HydrophobicContact CD1-CD2 4.44Å; L94-L96 HydrophobicContact CD1-CG 4.14Å; L94-L96 HydrophobicContact CD2-CD1 3.75Å; L94-L96 HydrophobicContact CD2-CG 4.31Å; L94-L96 HydrophobicContact CG-CD1 3.94Å; L94-L96 HydrophobicContact CG-CG 3.96Å; L96-N99 PolarHBondContact O-ND2 2.97Å; L96-L101 HydrophobicContact CB-CD1 4.24Å; L96-L101 HydrophobicContact CD1-CD1 4.31Å; L96-L109 HydrophobicContact CD1-CD2 4.01Å; L96-L122 HydrophobicContact CD1-CD1 4.49Å; L96-V123 PolarHBondContact N-O 3.22Å; L96-L124 HydrophobicContact CB-CD2 4.04Å; L96-L124 HydrophobicContact CD1-CD2 4.09Å; L96-N127 PolarHBondContact O-ND2 3.5Å; L96-N127 PolarHBondContact O-OD1 3.16Å
97K96.3Very high93.3Very high67 Ų6740.5 Ų40.529%0.29120%0.202SC..THydrogen-bonded Turntrans-52.8141.5179.3170174.7176.81590112.4S69 D70 D95 N99 V123 E125S69-K97 CarbonylContact C-O 3.46Å; S69-K97 VanDerWaalsContact CA-O 3.3Å; S69-K97 WeakPolarHBondContact CA-O 3.24Å; S69-K97 WeakPolarHBondContact OG-CB 3.48Å; D70-K97 PolarHBondContact N-O 3.47Å; D95-K97 VanDerWaalsContact OD1-CB 3.3Å; D95-K97 WeakPolarHBondContact OD1-CB 3.16Å; D95-K97 PolarHBondContact OD1-N 3.43Å; K97-N99 VanDerWaalsContact C-N 3.29Å; K97-N99 PolarHBondContact O-N 2.89Å; K97-N99 PolarHBondContact O-ND2 2.86Å; K97-V123 HydrophobicContact CB-CG1 4.33Å; K97-E125 CarbonylContact C-O 3.33Å; K97-E125 VanDerWaalsContact CA-O 3.24Å; K97-E125 WeakPolarHBondContact CA-O 3.38Å; K97-E125 HydrophobicContact CB-CB 4.42Å; K97-E125 HydrophobicContact CD-CB 4.24Å; K97-E125 HydrophobicContact CD-CG 4.33Å; K97-E125 WeakPolarHBondContact CE-OE2 3.35Å; K97-E125 HydrophobicContact CG-CB 4.08Å; K97-E125 HydrophobicContact CG-CG 4.36Å; K97-E125 IonicContact NZ-OE2 3.74Å; K97-E125 PolarHBondContact NZ-OE2 2.92Å
98G94.1Very high93.7Very high15 Ų1534.9 Ų34.916%0.15518%0.177CC..THydrogen-bonded Turntrans66.921.6167.500000115.9D70 E125D70-G98 WeakPolarHBondContact OD1-CA 3.44Å; G98-E125 PolarHBondContact N-O 2.92Å
99N94.5Very high94Very high4 Ų434.8 Ų34.82%0.02118%0.177CC..SBendtrans-94.1-3.1179.4-73.7-64.3000114.1L68 C71 M72 L73 L96 K97 L101 N127L68-N99 PolarHBondContact O-ND2 2.88Å; L68-N99 PolarHBondContact O-OD1 3.21Å; C71-N99 WeakPolarHBondContact CA-OD1 3.49Å; C71-N99 PolarHBondContact N-OD1 3.42Å; M72-N99 PolarHBondContact N-OD1 3.34Å; L73-N99 HydrophobicContact CB-CB 4.22Å; L73-N99 HydrophobicContact CD1-CB 4.21Å; L73-N99 HydrophobicContact CG-CB 4.34Å; L73-N99 WeakPolarHBondContact CG-OD1 3.36Å; L73-N99 PolarHBondContact N-OD1 3.4Å; L96-N99 PolarHBondContact O-ND2 2.97Å; K97-N99 VanDerWaalsContact C-N 3.29Å; K97-N99 PolarHBondContact O-N 2.89Å; K97-N99 PolarHBondContact O-ND2 2.86Å; N99-L101 VanDerWaalsContact C-N 3.3Å; N99-L101 HydrophobicContact CB-CD2 3.63Å; N99-L101 HydrophobicContact CB-CG 4.05Å; N99-L101 PolarHBondContact O-N 2.93Å; N99-N127 WeakPolarHBondContact CA-OD1 3.5Å; N99-N127 PolarHBondContact N-OD1 2.88Å
100N90.6Very high94.3Very high74 Ų7428.7 Ų28.740%0.39615%0.146SC..  trans50.851.8179172.859.7000111.5R102 N127N100-R102 VanDerWaalsContact C-N 3.29Å; N100-R102 VanDerWaalsContact ND2-CZ 3.27Å; N100-R102 PolarHBondContact ND2-NE 3.31Å; N100-R102 PolarHBondContact ND2-NH2 2.95Å; N100-R102 VanDerWaalsContact ND2-NH2 3.16Å; N100-R102 WeakPolarHBondContact O-CG 3.48Å; N100-R102 PolarHBondContact O-N 3.44Å; N100-R102 WeakPolarHBondContact OD1-CG 3.34Å; N100-R102 PolarHBondContact OD1-NE 3.26Å; N100-N127 PolarHBondContact N-OD1 3.29Å
101L92.1Very high94.5Very high2 Ų234 Ų341%0.0117%0.168CC..  trans-65.1-25.6-173.8-60.5177.8000114.5T78 L96 N99 G105 L109 L124 N127 L129T78-L101 HydrophobicContact CG2-CD2 3.61Å; T78-L101 WeakPolarHBondContact OG1-CD2 3.29Å; L96-L101 HydrophobicContact CB-CD1 4.24Å; L96-L101 HydrophobicContact CD1-CD1 4.31Å; N99-L101 VanDerWaalsContact C-N 3.3Å; N99-L101 HydrophobicContact CB-CD2 3.63Å; N99-L101 HydrophobicContact CB-CG 4.05Å; N99-L101 PolarHBondContact O-N 2.93Å; L101-G105 PolarHBondContact O-N 2.88Å; L101-L109 HydrophobicContact CD1-CD1 3.85Å; L101-L124 HydrophobicContact CD1-CD2 3.93Å; L101-N127 HydrophobicContact CB-CB 4.13Å; L101-N127 HydrophobicContact CD1-CB 4.21Å; L101-N127 HydrophobicContact CG-CB 4.12Å; L101-N127 WeakPolarHBondContact CG-OD1 3.07Å; L101-N127 PolarHBondContact N-O 3.02Å; L101-L129 HydrophobicContact CB-CD2 4.03Å
102R91.1Very high94.5Very high101 Ų10134 Ų3438%0.38117%0.168SC..Hα-helixtrans54.1-152174.6-63.1173.3179.6177.11.2113.2E75 N100 A106 N127 W132E75-R102 IonicContact OE1-NH1 3.34Å; N100-R102 VanDerWaalsContact C-N 3.29Å; N100-R102 VanDerWaalsContact ND2-CZ 3.27Å; N100-R102 PolarHBondContact ND2-NE 3.31Å; N100-R102 PolarHBondContact ND2-NH2 2.95Å; N100-R102 VanDerWaalsContact ND2-NH2 3.16Å; N100-R102 WeakPolarHBondContact O-CG 3.48Å; N100-R102 PolarHBondContact O-N 3.44Å; N100-R102 WeakPolarHBondContact OD1-CG 3.34Å; N100-R102 PolarHBondContact OD1-NE 3.26Å; R102-A106 PolarHBondContact O-N 2.97Å; R102-A106 VanDerWaalsContact O-N 3.17Å; R102-N127 PolarHBondContact N-O 2.86Å; R102-W132 HydrophobicContact CB-CE3 4.23Å; R102-W132 HydrophobicContact CB-CH2 3.71Å; R102-W132 HydrophobicContact CB-CZ3 3.46Å; R102-W132 VanDerWaalsContact CB-CZ3 3.46Å; R102-W132 HydrophobicContact CG-CH2 3.66Å; R102-W132 HydrophobicContact CG-CZ3 3.73Å
103S93.4Very high94.5Very high25 Ų2528.8 Ų28.818%0.17515%0.146CC..Hα-helixtrans-61.9-49.9-178.4490000113G105 A106 E107 S135S103-G105 VanDerWaalsContact C-N 3.31Å; S103-G105 PolarHBondContact O-N 3.14Å; S103-A106 WeakPolarHBondContact O-CB 3.45Å; S103-A106 PolarHBondContact O-N 3.42Å; S103-A106 VanDerWaalsContact O-N 3.1Å; S103-E107 WeakPolarHBondContact O-CG 3.37Å; S103-E107 PolarHBondContact O-N 2.99Å; S103-E107 VanDerWaalsContact O-N 3.1Å; S103-S135 VanDerWaalsContact CB-OG 3.31Å; S103-S135 WeakPolarHBondContact CB-OG 3.21Å; S103-S135 WeakPolarHBondContact O-CB 3.44Å
104T92.2Very high94.3Very high41 Ų4128.7 Ų28.725%0.25215%0.149SC..Hα-helixtrans-60.8-41-176.9510000111.9E75 V108E75-T104 HydrophobicContact CB-CG2 4.49Å; E75-T104 WeakPolarHBondContact CB-OG1 3.45Å; E75-T104 WeakPolarHBondContact CG-OG1 3.4Å; E75-T104 WeakPolarHBondContact OE2-CG2 3.49Å; T104-V108 WeakPolarHBondContact O-CG2 3.4Å; T104-V108 PolarHBondContact O-N 3.04Å
105G92.3Very high94.1Very high0 Ų032 Ų320%017%0.172CC..Hα-helixtrans-68.4-37.6174.700000113.6L101 S103 E107 V108 L109L101-G105 PolarHBondContact O-N 2.88Å; S103-G105 VanDerWaalsContact C-N 3.31Å; S103-G105 PolarHBondContact O-N 3.14Å; G105-E107 VanDerWaalsContact C-N 3.33Å; G105-E107 PolarHBondContact O-N 3.42Å; G105-V108 PolarHBondContact O-N 3.41Å; G105-L109 VanDerWaalsContact O-CB 3.24Å; G105-L109 WeakPolarHBondContact O-CB 3.49Å; G105-L109 WeakPolarHBondContact O-CD1 3.34Å; G105-L109 WeakPolarHBondContact O-CG 3.44Å; G105-L109 PolarHBondContact O-N 3.03Å
106A94.8Very high93.8Very high0 Ų030.5 Ų30.50%016%0.163CC..Hα-helixtrans-58.5-44.6174.900000111.9R102 S103 L109 G110 L129 F139R102-A106 PolarHBondContact O-N 2.97Å; R102-A106 VanDerWaalsContact O-N 3.17Å; S103-A106 WeakPolarHBondContact O-CB 3.45Å; S103-A106 PolarHBondContact O-N 3.42Å; S103-A106 VanDerWaalsContact O-N 3.1Å; A106-L109 PolarHBondContact O-N 3.4Å; A106-G110 PolarHBondContact O-N 2.84Å; A106-L129 HydrophobicContact CB-CB 4.43Å; A106-L129 HydrophobicContact CB-CD2 3.85Å; A106-F139 HydrophobicContact CB-CB 4.45Å
107E95.1Very high93.5Very high67 Ų6734.9 Ų34.931%0.31318%0.182SC..Hα-helixtrans-64-44.8178.7-65.8179.1-167.200112.8S103 G105 G110 K111 S135 L138S103-E107 WeakPolarHBondContact O-CG 3.37Å; S103-E107 PolarHBondContact O-N 2.99Å; S103-E107 VanDerWaalsContact O-N 3.1Å; G105-E107 VanDerWaalsContact C-N 3.33Å; G105-E107 PolarHBondContact O-N 3.42Å; E107-G110 PolarHBondContact O-N 3.26Å; E107-K111 PolarHBondContact O-N 3.23Å; E107-K111 VanDerWaalsContact O-N 3.1Å; E107-S135 PolarHBondContact OE1-OG 2.96Å; E107-L138 HydrophobicContact CB-CD1 4.47Å; E107-L138 HydrophobicContact CG-CD1 3.8Å
108V95.3Very high93.4Very high15 Ų1533 Ų339%0.09118%0.177CC..Hα-helixtrans-70.9-36.7-179.3-178.60000110.7K79 L82 F86 T104 G105 K111 L112K79-V108 HydrophobicContact CB-CG2 4.12Å; K79-V108 HydrophobicContact CG-CG2 3.99Å; L82-V108 HydrophobicContact CB-CG1 3.53Å; L82-V108 HydrophobicContact CD1-CB 4.19Å; L82-V108 HydrophobicContact CD1-CG1 3.88Å; L82-V108 HydrophobicContact CG-CG1 4.36Å; F86-V108 HydrophobicContact CE1-CG1 4.15Å; F86-V108 HydrophobicContact CZ-CG1 4.19Å; T104-V108 WeakPolarHBondContact O-CG2 3.4Å; T104-V108 PolarHBondContact O-N 3.04Å; G105-V108 PolarHBondContact O-N 3.41Å; V108-K111 PolarHBondContact O-N 2.86Å; V108-L112 WeakPolarHBondContact O-CB 3.48Å; V108-L112 PolarHBondContact O-N 2.81Å
109L95.8Very high93.4Very high0 Ų032.4 Ų32.40%017%0.17CC..Hα-helixtrans-64.2-39.5172.4-75.1168.8000111.9L82 L96 L101 G105 A106 K111 L112 L113 L122 L124 L129 F139L82-L109 HydrophobicContact CD1-CD2 3.69Å; L82-L109 HydrophobicContact CD1-CG 3.75Å; L82-L109 HydrophobicContact CD2-CD2 4.15Å; L96-L109 HydrophobicContact CD1-CD2 4.01Å; L101-L109 HydrophobicContact CD1-CD1 3.85Å; G105-L109 VanDerWaalsContact O-CB 3.24Å; G105-L109 WeakPolarHBondContact O-CB 3.49Å; G105-L109 WeakPolarHBondContact O-CD1 3.34Å; G105-L109 WeakPolarHBondContact O-CG 3.44Å; G105-L109 PolarHBondContact O-N 3.03Å; A106-L109 PolarHBondContact O-N 3.4Å; L109-K111 VanDerWaalsContact C-N 3.35Å; L109-K111 PolarHBondContact O-N 3.45Å; L109-L112 HydrophobicContact CD2-CD2 4.14Å; L109-L112 WeakPolarHBondContact O-CB 3.47Å; L109-L112 PolarHBondContact O-N 2.93Å; L109-L113 WeakPolarHBondContact O-CB 3.28Å; L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.41Å; L109-L122 HydrophobicContact CD2-CD2 4.49Å; L109-L124 HydrophobicContact CD1-CD1 3.98Å; L109-L124 HydrophobicContact CD1-CD2 3.48Å; L109-L124 VanDerWaalsContact CD1-CD2 3.48Å; L109-L124 HydrophobicContact CD1-CG 4.39Å; L109-L124 HydrophobicContact CD2-CD2 4.31Å; L109-L129 HydrophobicContact CD1-CD1 4.36Å; L109-L129 HydrophobicContact CD1-CD2 4.26Å; L109-F139 HydrophobicContact CB-CD2 3.71Å; L109-F139 HydrophobicContact CB-CE2 3.96Å; L109-F139 HydrophobicContact CD1-CE2 4.5Å
110G95.3Very high93.5Very high4 Ų435.7 Ų35.74%0.04119%0.185CC..Hα-helixtrans-58.3-4717300000112A106 E107 L112 L113 G114 L138 G142A106-G110 PolarHBondContact O-N 2.84Å; E107-G110 PolarHBondContact O-N 3.26Å; G110-L112 PolarHBondContact O-N 2.64Å; G110-L113 PolarHBondContact O-N 2.9Å; G110-G114 PolarHBondContact O-N 3.2Å; G110-L138 WeakPolarHBondContact CA-O 3.36Å; G110-G142 WeakPolarHBondContact O-CA 3.26Å
111K95Very high93.9Very high124 Ų12437.1 Ų37.154%0.53919%0.185SC..Hα-helixtrans-62.4-43174.3-69.6172.8-177.3168.60112.2F86 E107 V108 L109 L113 G114 C115F86-K111 HydrophobicContact CE1-CB 4.33Å; F86-K111 HydrophobicContact CE2-CB 4.2Å; F86-K111 HydrophobicContact CZ-CB 3.64Å; E107-K111 PolarHBondContact O-N 3.23Å; E107-K111 VanDerWaalsContact O-N 3.1Å; V108-K111 PolarHBondContact O-N 2.86Å; L109-K111 VanDerWaalsContact C-N 3.35Å; L109-K111 PolarHBondContact O-N 3.45Å; K111-L113 PolarHBondContact O-N 3.48Å; K111-G114 PolarHBondContact O-N 2.86Å; K111-C115 PolarHBondContact O-N 3.46Å
112L94.9Very high94.1Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-57.7-49.7175.7177.668000110.7L82 L85 F86 L94 V108 L109 G110 G114 C115 N116 L119L82-L112 HydrophobicContact CD2-CD2 3.97Å; L85-L112 HydrophobicContact CB-CD1 3.72Å; F86-L112 HydrophobicContact CD1-CB 4.02Å; F86-L112 HydrophobicContact CD1-CD1 3.65Å; F86-L112 HydrophobicContact CD1-CG 4.46Å; F86-L112 HydrophobicContact CE1-CB 3.78Å; F86-L112 HydrophobicContact CE1-CD1 4.25Å; L94-L112 HydrophobicContact CD2-CD2 4.19Å; V108-L112 WeakPolarHBondContact O-CB 3.48Å; V108-L112 PolarHBondContact O-N 2.81Å; L109-L112 HydrophobicContact CD2-CD2 4.14Å; L109-L112 WeakPolarHBondContact O-CB 3.47Å; L109-L112 PolarHBondContact O-N 2.93Å; G110-L112 PolarHBondContact O-N 2.64Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 2.92Å; L112-C115 PolarHBondContact O-N 2.91Å; L112-N116 HydrophobicContact CD1-CB 3.93Å; L112-N116 HydrophobicContact CG-CB 4.35Å; L112-N116 WeakPolarHBondContact O-CA 3.44Å; L112-N116 WeakPolarHBondContact O-CB 3.41Å; L112-N116 PolarHBondContact O-N 3.29Å; L112-L119 HydrophobicContact CD1-CD1 4.48Å; L112-L119 HydrophobicContact CD2-CD1 3.87Å; L112-L119 HydrophobicContact CG-CD1 4.12Å
113L94.9Very high94.5Very high0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-64.4-35.5179.4-70.4177.8000112.4L109 G110 K111 L122 F139 L143 N146 L149L109-L113 WeakPolarHBondContact O-CB 3.28Å; L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.41Å; G110-L113 PolarHBondContact O-N 2.9Å; K111-L113 PolarHBondContact O-N 3.48Å; L113-L122 HydrophobicContact CD1-CD2 4.37Å; L113-L122 HydrophobicContact CD2-CD2 4.01Å; L113-L122 HydrophobicContact CG-CD2 4.45Å; L113-F139 HydrophobicContact CD1-CD2 4.12Å; L113-F139 HydrophobicContact CD1-CE2 3.54Å; L113-F139 HydrophobicContact CD1-CZ 3.87Å; L113-L143 HydrophobicContact CD1-CB 4.26Å; L113-L143 HydrophobicContact CD1-CD1 4.43Å; L113-N146 HydrophobicContact CB-CB 4.39Å; L113-N146 WeakPolarHBondContact O-CB 3.42Å; L113-N146 PolarHBondContact O-ND2 2.89Å; L113-L149 HydrophobicContact CD2-CD2 4.04Å
114G93.1Very high94.6Very high24 Ų2432.4 Ų32.425%0.24717%0.166CC..Hα-helixtrans-64.8-42.4175.600000113G110 K111 L112 K117G110-G114 PolarHBondContact O-N 3.2Å; K111-G114 PolarHBondContact O-N 2.86Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 2.92Å; G114-K117 WeakPolarHBondContact O-CE 3.48Å; G114-K117 PolarHBondContact O-NZ 2.87Å
115C92.3Very high94.9Very high73 Ų7331.4 Ų31.449%0.49316%0.159SC..Hα-helixtrans-88.1-45.9-175.6-66.60000113.8K111 L112K111-C115 PolarHBondContact O-N 3.46Å; L112-C115 PolarHBondContact O-N 2.91Å
116N90.9Very high95Very high4 Ų439.1 Ų39.12%0.02119%0.188CC..  trans-72.1135.7-174-175.6-79.2000110.9L85 N88 L112 T118 L119 N146L85-N116 PolarHBondContact O-ND2 3.44Å; N88-N116 PolarHBondContact O-ND2 3.19Å; L112-N116 HydrophobicContact CD1-CB 3.93Å; L112-N116 HydrophobicContact CG-CB 4.35Å; L112-N116 WeakPolarHBondContact O-CA 3.44Å; L112-N116 WeakPolarHBondContact O-CB 3.41Å; L112-N116 PolarHBondContact O-N 3.29Å; N116-T118 PolarHBondContact ND2-OG1 2.96Å; N116-T118 PolarHBondContact OD1-N 2.83Å; N116-T118 PolarHBondContact OD1-OG1 3.33Å; N116-T118 VanDerWaalsContact OD1-OG1 3.12Å; N116-L119 WeakPolarHBondContact OD1-CB 3.39Å; N116-L119 WeakPolarHBondContact OD1-CG 3.46Å; N116-L119 PolarHBondContact OD1-N 3.38Å; N116-N146 PolarHBondContact O-ND2 2.98Å
117K89.4Confident95Very high92 Ų9239.1 Ų39.140%0.419%0.188SC..SBendtrans-124.224.4-178.7-53.3-63.9166.4-157.40112.1G114 N147 T148G114-K117 WeakPolarHBondContact O-CE 3.48Å; G114-K117 PolarHBondContact O-NZ 2.87Å; K117-N147 VanDerWaalsContact CD-OD1 3.26Å; K117-N147 WeakPolarHBondContact CD-OD1 3.43Å; K117-T148 VanDerWaalsContact C-CG2 3.5Å; K117-T148 HydrophobicContact CB-CG2 4.14Å; K117-T148 WeakPolarHBondContact O-CG2 3.24Å
118T93.3Very high95Very high28 Ų2836.3 Ų36.317%0.17218%0.176CC..SBendtrans-127-24.5-174.654.40000113N88 V91 N116 H120N88-T118 PolarHBondContact O-OG1 3.07Å; V91-T118 CarbonylContact O-C 3.6Å; V91-T118 PolarHBondContact O-OG1 3.44Å; N116-T118 PolarHBondContact ND2-OG1 2.96Å; N116-T118 PolarHBondContact OD1-N 2.83Å; N116-T118 PolarHBondContact OD1-OG1 3.33Å; N116-T118 VanDerWaalsContact OD1-OG1 3.12Å; T118-H120 PolarHBondContact O-CE1 2.87Å; T118-H120 VanDerWaalsContact O-CE1 3.24Å; T118-H120 PolarHBondContact O-N 3.34Å; T118-H120 PolarHBondContact O-ND1 3.37Å
119L95.6Very high95Very high2 Ų235.6 Ų35.61%0.0117%0.172CC..  trans-67.6128.1173.7-73.1170.4000111.5V91 L94 L112 N116 T148 L149V91-L119 HydrophobicContact CG1-CD2 3.84Å; L94-L119 HydrophobicContact CB-CD2 3.75Å; L94-L119 HydrophobicContact CD2-CD1 4.5Å; L112-L119 HydrophobicContact CD1-CD1 4.48Å; L112-L119 HydrophobicContact CD2-CD1 3.87Å; L112-L119 HydrophobicContact CG-CD1 4.12Å; N116-L119 WeakPolarHBondContact OD1-CB 3.39Å; N116-L119 WeakPolarHBondContact OD1-CG 3.46Å; N116-L119 PolarHBondContact OD1-N 3.38Å; L119-T148 CarbonylContact O-C 3.4Å; L119-T148 VanDerWaalsContact O-C 3.23Å; L119-T148 WeakPolarHBondContact O-CB 3.36Å; L119-T148 PolarHBondContact O-OG1 3.24Å; L119-L149 HydrophobicContact CB-CD1 4.42Å; L119-L149 WeakPolarHBondContact O-CA 3.29Å; L119-L149 PolarHBondContact O-N 2.96Å
120H96.6Very high94.7Very high74 Ų7435.7 Ų35.734%0.34317%0.173SC..  trans-113.7-33.8176.5-66.474.3000111.7K92 T118 T150 H151K92-H120 PolarHBondContact O-N 2.97Å; T118-H120 PolarHBondContact O-CE1 2.87Å; T118-H120 VanDerWaalsContact O-CE1 3.24Å; T118-H120 PolarHBondContact O-N 3.34Å; T118-H120 PolarHBondContact O-ND1 3.37Å; H120-T150 PolarHBondContact O-N 2.98Å; H120-T150 PolarHBondContact O-OG1 3.46Å; H120-T150 VanDerWaalsContact O-OG1 3.13Å; H120-H151 PolarHBondContact O-N 3.27Å
121R97.9Very high94.5Very high103 Ų10338.4 Ų38.439%0.38919%0.188SC..EExtended strand (participates in β ladder)trans-127.1128.7179.2-178-178.9-62.2-82-3.6110.7K92 C93 L94 V123 H151K92-R121 PolarHBondContact O-N 3.12Å; C93-R121 WeakPolarHBondContact CA-O 3.23Å; C93-R121 HydrophobicContact CB-CB 4.28Å; L94-R121 PolarHBondContact N-O 3.5Å; R121-V123 HydrophobicContact CG-CG2 4.39Å; R121-H151 WeakPolarHBondContact CA-O 3.49Å; R121-H151 HydrophobicContact CB-CB 4.11Å; R121-H151 HydrophobicContact CG-CB 3.96Å; R121-H151 VanDerWaalsContact CZ-CD2 3.44Å; R121-H151 PolarHBondContact NH1-CD2 2.96Å; R121-H151 VanDerWaalsContact NH1-CD2 3.32Å; R121-H151 PolarHBondContact NH2-CD2 3.06Å; R121-H151 PolarHBondContact NH2-NE2 3.35Å; R121-H151 VanDerWaalsContact NH2-NE2 3.12Å
122L97.8Very high94.4Very high0 Ų037.4 Ų37.40%018%0.181CC..EExtended strand (participates in β ladder)trans-130.3119.3177.3-179.956.2000109.9L94 L96 L109 L113 L124 L149 H151 L152 D153L94-L122 HydrophobicContact CB-CD1 4.06Å; L94-L122 HydrophobicContact CD2-CD1 4.03Å; L94-L122 HydrophobicContact CG-CD1 4.1Å; L94-L122 WeakPolarHBondContact O-CA 3.39Å; L96-L122 HydrophobicContact CD1-CD1 4.49Å; L109-L122 HydrophobicContact CD2-CD2 4.49Å; L113-L122 HydrophobicContact CD1-CD2 4.37Å; L113-L122 HydrophobicContact CD2-CD2 4.01Å; L113-L122 HydrophobicContact CG-CD2 4.45Å; L122-L124 HydrophobicContact CD1-CD1 4.41Å; L122-L124 HydrophobicContact CD1-CD2 4.12Å; L122-L124 HydrophobicContact CD1-CG 4.08Å; L122-L124 HydrophobicContact CD2-CD1 3.74Å; L122-L124 HydrophobicContact CD2-CG 4.31Å; L122-L124 HydrophobicContact CG-CD1 3.79Å; L122-L124 HydrophobicContact CG-CD2 4.38Å; L122-L124 HydrophobicContact CG-CG 3.83Å; L122-L149 HydrophobicContact CB-CD1 3.75Å; L122-L149 HydrophobicContact CB-CD2 4.42Å; L122-H151 PolarHBondContact N-O 3.47Å; L122-L152 HydrophobicContact CB-CD1 4.14Å; L122-L152 HydrophobicContact CD2-CD1 4.2Å; L122-L152 HydrophobicContact CG-CD1 4.17Å; L122-D153 PolarHBondContact O-N 2.91Å
123V98Very high94.3Very high29 Ų2941.8 Ų41.818%0.17620%0.202CC..EExtended strand (participates in β ladder)trans-107.4117.1178.3-179.70000109.6L94 D95 L96 K97 R121 E125 D153L94-V123 PolarHBondContact O-N 3.28Å; D95-V123 HydrophobicContact CB-CB 4.14Å; D95-V123 WeakPolarHBondContact OD1-CG1 3.37Å; L96-V123 PolarHBondContact N-O 3.22Å; K97-V123 HydrophobicContact CB-CG1 4.33Å; R121-V123 HydrophobicContact CG-CG2 4.39Å; V123-E125 HydrophobicContact CG1-CB 4.49Å; V123-D153 HydrophobicContact CG1-CB 4.29Å; V123-D153 HydrophobicContact CG2-CB 4.42Å
124L97.1Very high94.2Very high0 Ų049.9 Ų49.90%024%0.24CC..  trans-126.621.3-175.6-65.4167.1000112L96 L101 L109 L122 W126 N127 L129 F139 L152 D153 L154 N157L96-L124 HydrophobicContact CB-CD2 4.04Å; L96-L124 HydrophobicContact CD1-CD2 4.09Å; L101-L124 HydrophobicContact CD1-CD2 3.93Å; L109-L124 HydrophobicContact CD1-CD1 3.98Å; L109-L124 HydrophobicContact CD1-CD2 3.48Å; L109-L124 VanDerWaalsContact CD1-CD2 3.48Å; L109-L124 HydrophobicContact CD1-CG 4.39Å; L109-L124 HydrophobicContact CD2-CD2 4.31Å; L122-L124 HydrophobicContact CD1-CD1 4.41Å; L122-L124 HydrophobicContact CD1-CD2 4.12Å; L122-L124 HydrophobicContact CD1-CG 4.08Å; L122-L124 HydrophobicContact CD2-CD1 3.74Å; L122-L124 HydrophobicContact CD2-CG 4.31Å; L122-L124 HydrophobicContact CG-CD1 3.79Å; L122-L124 HydrophobicContact CG-CD2 4.38Å; L122-L124 HydrophobicContact CG-CG 3.83Å; L124-W126 PolarHBondContact O-N 3.4Å; L124-N127 WeakPolarHBondContact CA-ND2 3.35Å; L124-N127 PolarHBondContact O-ND2 2.99Å; L124-L129 HydrophobicContact CB-CD1 4.04Å; L124-L129 HydrophobicContact CD1-CD1 3.8Å; L124-L129 HydrophobicContact CD2-CD1 4.45Å; L124-L129 HydrophobicContact CG-CD1 4.32Å; L124-F139 HydrophobicContact CD1-CE2 3.85Å; L124-F139 HydrophobicContact CD1-CZ 3.89Å; L124-L152 HydrophobicContact CD1-CD1 4.11Å; L124-D153 CarbonylContact C-O 3.58Å; L124-D153 WeakPolarHBondContact CA-O 2.93Å; L124-D153 WeakPolarHBondContact CB-O 3.17Å; L124-D153 PolarHBondContact N-O 3.38Å; L124-L154 HydrophobicContact CB-CD2 4.15Å; L124-L154 HydrophobicContact CD1-CD2 3.93Å; L124-N157 PolarHBondContact O-ND2 2.96Å; L124-N157 PolarHBondContact O-OD1 3.37Å
125E96.7Very high94.2Very high20 Ų2049.1 Ų49.19%0.09323%0.231CC..THydrogen-bonded Turntrans-52135.7178.5176.1171.6-15400111.7K97 G98 V123 N127 R155K97-E125 CarbonylContact C-O 3.33Å; K97-E125 VanDerWaalsContact CA-O 3.24Å; K97-E125 WeakPolarHBondContact CA-O 3.38Å; K97-E125 HydrophobicContact CB-CB 4.42Å; K97-E125 HydrophobicContact CD-CB 4.24Å; K97-E125 HydrophobicContact CD-CG 4.33Å; K97-E125 WeakPolarHBondContact CE-OE2 3.35Å; K97-E125 HydrophobicContact CG-CB 4.08Å; K97-E125 HydrophobicContact CG-CG 4.36Å; K97-E125 IonicContact NZ-OE2 3.74Å; K97-E125 PolarHBondContact NZ-OE2 2.92Å; G98-E125 PolarHBondContact N-O 2.92Å; V123-E125 HydrophobicContact CG1-CB 4.49Å; E125-N127 PolarHBondContact O-ND2 3.21Å; E125-R155 VanDerWaalsContact CA-O 3.27Å; E125-R155 WeakPolarHBondContact CA-O 3.31Å; E125-R155 HydrophobicContact CB-CB 4.28Å; E125-R155 HydrophobicContact CG-CB 3.97Å; E125-R155 IonicContact OE1-CZ 2.87Å; E125-R155 IonicContact OE1-NH1 3.87Å; E125-R155 IonicContact OE2-CZ 2.97Å; E125-R155 IonicContact OE2-NE 3.2Å; E125-R155 IonicContact OE2-NH1 3.95Å; E125-R155 IonicContact OE2-NH2 3.81Å; E125-R155 PolarHBondContact OE2-NH2 3.09Å
126W95.4Very high94.4Very high162 Ų16245.7 Ų45.761%0.61421%0.207SC*.THydrogen-bonded Turntrans61.248.5177.4-77.756.4000115.4L124 R155 N156L124-W126 PolarHBondContact O-N 3.4Å; W126-R155 PolarHBondContact N-O 3.12Å; W126-N156 WeakPolarHBondContact CA-O 3.41Å; W126-N156 HydrophobicContact CG-CB 3.97Å; W126-N156 VanDerWaalsContact NE1-CG 3.28Å; W126-N156 PolarHBondContact NE1-ND2 3.31Å
127N95.6Very high94.6Very high0 Ų047 Ų470%022%0.217CC..  trans-118.61.1178.8-75.9-54.6000116.3L96 N99 N100 L101 R102 L124 E125 L129 N157L96-N127 PolarHBondContact O-ND2 3.5Å; L96-N127 PolarHBondContact O-OD1 3.16Å; N99-N127 WeakPolarHBondContact CA-OD1 3.5Å; N99-N127 PolarHBondContact N-OD1 2.88Å; N100-N127 PolarHBondContact N-OD1 3.29Å; L101-N127 HydrophobicContact CB-CB 4.13Å; L101-N127 HydrophobicContact CD1-CB 4.21Å; L101-N127 HydrophobicContact CG-CB 4.12Å; L101-N127 WeakPolarHBondContact CG-OD1 3.07Å; L101-N127 PolarHBondContact N-O 3.02Å; R102-N127 PolarHBondContact N-O 2.86Å; L124-N127 WeakPolarHBondContact CA-ND2 3.35Å; L124-N127 PolarHBondContact O-ND2 2.99Å; E125-N127 PolarHBondContact O-ND2 3.21Å; N127-L129 HydrophobicContact CB-CD1 4.41Å; N127-L129 HydrophobicContact CB-CD2 4.25Å; N127-L129 HydrophobicContact CB-CG 3.95Å; N127-L129 PolarHBondContact O-N 3.17Å; N127-L129 VanDerWaalsContact O-N 3.17Å; N127-N157 WeakPolarHBondContact CA-OD1 3.36Å; N127-N157 WeakPolarHBondContact CB-OD1 3.31Å; N127-N157 PolarHBondContact N-OD1 3.07Å
128A94.2Very high94.9Very high9 Ų946.6 Ų46.67%0.07422%0.219CC..  trans53.531.817800000114.3G130 V131 W132 N157A128-G130 VanDerWaalsContact C-N 3.27Å; A128-G130 PolarHBondContact O-N 2.85Å; A128-V131 HydrophobicContact CB-CG2 4.11Å; A128-W132 WeakPolarHBondContact O-CZ3 3.2Å; A128-N157 CarbonylContact C-O 3.51Å; A128-N157 PolarHBondContact N-OD1 2.95Å
129L94.3Very high95.1Very high0 Ų045.3 Ų45.30%021%0.21CC..G310 helixtrans-64.7-30.2-176.3-60.4172.4000113L101 A106 L109 L124 N127 F136 L154 N157L101-L129 HydrophobicContact CB-CD2 4.03Å; A106-L129 HydrophobicContact CB-CB 4.43Å; A106-L129 HydrophobicContact CB-CD2 3.85Å; L109-L129 HydrophobicContact CD1-CD1 4.36Å; L109-L129 HydrophobicContact CD1-CD2 4.26Å; L124-L129 HydrophobicContact CB-CD1 4.04Å; L124-L129 HydrophobicContact CD1-CD1 3.8Å; L124-L129 HydrophobicContact CD2-CD1 4.45Å; L124-L129 HydrophobicContact CG-CD1 4.32Å; N127-L129 HydrophobicContact CB-CD1 4.41Å; N127-L129 HydrophobicContact CB-CD2 4.25Å; N127-L129 HydrophobicContact CB-CG 3.95Å; N127-L129 PolarHBondContact O-N 3.17Å; N127-L129 VanDerWaalsContact O-N 3.17Å; L129-F136 HydrophobicContact CB-CD2 4.03Å; L129-F136 HydrophobicContact CB-CE2 4.25Å; L129-L154 HydrophobicContact CD1-CD2 3.97Å; L129-N157 HydrophobicContact CB-CB 4.48Å; L129-N157 WeakPolarHBondContact CG-OD1 3.42Å; L129-N157 PolarHBondContact N-O 3.27Å; L129-N157 PolarHBondContact N-OD1 3.34Å
130G89.9Confident95.2Very high1 Ų145.2 Ų45.21%0.0121%0.21CC..G310 helixtrans-86.31.4-17300000115.7A128 N157 Q158A128-G130 VanDerWaalsContact C-N 3.27Å; A128-G130 PolarHBondContact O-N 2.85Å; G130-N157 WeakPolarHBondContact CA-O 3.42Å; G130-N157 PolarHBondContact N-O 3.45Å; G130-Q158 CarbonylContact C-O 3.51Å
131V92.3Very high95.2Very high62 Ų6245.9 Ų45.938%0.37622%0.216SC..G310 helixtrans-72.7-32.4179.5177.90000111.8A128 Q158A128-V131 HydrophobicContact CB-CG2 4.11Å; V131-Q158 HydrophobicContact CG2-CB 3.67Å; V131-Q158 HydrophobicContact CG2-CG 4.22Å
132W92.8Very high95.1Very high102 Ų10241.2 Ų41.239%0.38620%0.2SC..SBendtrans-110.4109.9-179-61.5-92.2000110.2R102 A128 E134 F136R102-W132 HydrophobicContact CB-CE3 4.23Å; R102-W132 HydrophobicContact CB-CH2 3.71Å; R102-W132 HydrophobicContact CB-CZ3 3.46Å; R102-W132 VanDerWaalsContact CB-CZ3 3.46Å; R102-W132 HydrophobicContact CG-CH2 3.66Å; R102-W132 HydrophobicContact CG-CZ3 3.73Å; A128-W132 WeakPolarHBondContact O-CZ3 3.2Å; W132-E134 PolarHBondContact O-N 3.21Å; W132-F136 WeakPolarHBondContact O-CB 3.41Å; W132-F136 PolarHBondContact O-N 3.48Å
133E91.4Very high95.1Very high93 Ų9341.2 Ų41.244%0.43520%0.2SC..Hα-helixtrans-64-42.9-171-61.1-176.116800112.7F136 S137 N160 H162E133-F136 PolarHBondContact O-N 3.03Å; E133-S137 WeakPolarHBondContact O-CB 3.34Å; E133-S137 PolarHBondContact O-N 3.25Å; E133-N160 PolarHBondContact OE1-ND2 2.9Å; E133-H162 HydrophobicContact CG-CB 4.49Å; E133-H162 WeakPolarHBondContact OE1-CB 3.35Å; E133-H162 IonicContact OE1-CD2 3.45Å; E133-H162 PolarHBondContact OE1-CD2 3.11Å; E133-H162 VanDerWaalsContact OE1-CD2 3.3Å; E133-H162 IonicContact OE1-CG 3.64Å
134E93.1Very high95Very high169 Ų16940.3 Ų40.379%0.7920%0.196SC*.Hα-helixtrans-62.2-49.6-180-64.7179-177.400112W132 F136 S137 L138W132-E134 PolarHBondContact O-N 3.21Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 3.38Å; E134-S137 PolarHBondContact O-N 3.3Å; E134-L138 PolarHBondContact O-N 3.42Å
135S93.7Very high94.9Very high9 Ų943.2 Ų43.26%0.06322%0.216CC..Hα-helixtrans-66.7-34.2179.4-54.90000112S103 E107 L138 F139S103-S135 VanDerWaalsContact CB-OG 3.31Å; S103-S135 WeakPolarHBondContact CB-OG 3.21Å; S103-S135 WeakPolarHBondContact O-CB 3.44Å; E107-S135 PolarHBondContact OE1-OG 2.96Å; S135-L138 PolarHBondContact O-N 3.39Å; S135-F139 PolarHBondContact O-N 3.31Å
136F96.4Very high94.9Very high1 Ų142.4 Ų42.40%0.00421%0.213CC..Hα-helixtrans-72-33.3175.4-167.2-103.6000112.8L129 W132 E133 E134 L138 F139 C140 I159 G163 L167L129-F136 HydrophobicContact CB-CD2 4.03Å; L129-F136 HydrophobicContact CB-CE2 4.25Å; W132-F136 WeakPolarHBondContact O-CB 3.41Å; W132-F136 PolarHBondContact O-N 3.48Å; E133-F136 PolarHBondContact O-N 3.03Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 3.38Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 3.06Å; F136-F139 HydrophobicContact CD2-CD1 4.38Å; F136-F139 AromaticContact CE2-CD1 3.95Å; F136-F139 HydrophobicContact CE2-CD1 3.95Å; F136-F139 HydrophobicContact CE2-CE1 4.45Å; F136-F139 HydrophobicContact CZ-CD1 4.36Å; F136-F139 WeakPolarHBondContact O-CB 3.39Å; F136-F139 PolarHBondContact O-N 3.5Å; F136-C140 WeakPolarHBondContact CE1-SG 3.25Å; F136-C140 PolarHBondContact O-N 3.48Å; F136-C140 PolarHBondContact O-SG 3.46Å; F136-I159 HydrophobicContact CE1-CG2 4.29Å; F136-I159 HydrophobicContact CE2-CD1 4.08Å; F136-I159 HydrophobicContact CE2-CG1 4.12Å; F136-I159 HydrophobicContact CZ-CD1 3.74Å; F136-I159 HydrophobicContact CZ-CG1 3.95Å; F136-I159 HydrophobicContact CZ-CG2 4.37Å; F136-G163 WeakPolarHBondContact CE1-O 3.1Å; F136-L167 HydrophobicContact CE1-CB 4.47Å
137S95.7Very high94.8Very high31 Ų3139.1 Ų39.122%0.21721%0.207CC..Hα-helixtrans-61.9-41.2172.8-176.70000111E133 E134 F139 C140 D141 E166E133-S137 WeakPolarHBondContact O-CB 3.34Å; E133-S137 PolarHBondContact O-N 3.25Å; E134-S137 PolarHBondContact O-N 3.3Å; S137-F139 VanDerWaalsContact C-N 3.31Å; S137-F139 PolarHBondContact O-N 2.99Å; S137-C140 CarbonylContact O-C 3.6Å; S137-C140 WeakPolarHBondContact O-CA 3.38Å; S137-C140 WeakPolarHBondContact O-CB 3.37Å; S137-C140 PolarHBondContact O-N 3.38Å; S137-D141 PolarHBondContact O-N 2.89Å; S137-E166 PolarHBondContact OG-OE2 3.33Å
138L96.1Very high94.9Very high84 Ų8440.2 Ų40.244%0.4421%0.214SC..Hα-helixtrans-61.6-37.1173.3-69.2171.3000113.1E107 G110 E134 S135 F136 G142E107-L138 HydrophobicContact CB-CD1 4.47Å; E107-L138 HydrophobicContact CG-CD1 3.8Å; G110-L138 WeakPolarHBondContact CA-O 3.36Å; E134-L138 PolarHBondContact O-N 3.42Å; S135-L138 PolarHBondContact O-N 3.39Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 3.06Å; L138-G142 PolarHBondContact O-N 2.92Å; L138-G142 VanDerWaalsContact O-N 3.13Å
139F97.1Very high95Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-61.9-44.7171175.2-94.4000111.6A106 L109 L113 L124 S135 F136 S137 G142 L143 L152 L154A106-F139 HydrophobicContact CB-CB 4.45Å; L109-F139 HydrophobicContact CB-CD2 3.71Å; L109-F139 HydrophobicContact CB-CE2 3.96Å; L109-F139 HydrophobicContact CD1-CE2 4.5Å; L113-F139 HydrophobicContact CD1-CD2 4.12Å; L113-F139 HydrophobicContact CD1-CE2 3.54Å; L113-F139 HydrophobicContact CD1-CZ 3.87Å; L124-F139 HydrophobicContact CD1-CE2 3.85Å; L124-F139 HydrophobicContact CD1-CZ 3.89Å; S135-F139 PolarHBondContact O-N 3.31Å; F136-F139 HydrophobicContact CD2-CD1 4.38Å; F136-F139 AromaticContact CE2-CD1 3.95Å; F136-F139 HydrophobicContact CE2-CD1 3.95Å; F136-F139 HydrophobicContact CE2-CE1 4.45Å; F136-F139 HydrophobicContact CZ-CD1 4.36Å; F136-F139 WeakPolarHBondContact O-CB 3.39Å; F136-F139 PolarHBondContact O-N 3.5Å; S137-F139 VanDerWaalsContact C-N 3.31Å; S137-F139 PolarHBondContact O-N 2.99Å; F139-G142 PolarHBondContact O-N 2.86Å; F139-L143 PolarHBondContact O-N 2.87Å; F139-L152 HydrophobicContact CE1-CD2 4.34Å; F139-L152 HydrophobicContact CZ-CD1 4.22Å; F139-L152 HydrophobicContact CZ-CD2 4.22Å; F139-L154 HydrophobicContact CE1-CD1 4.21Å; F139-L154 HydrophobicContact CE1-CD2 4.24Å; F139-L154 HydrophobicContact CZ-CD2 4.25Å
140C97.4Very high95.2Very high1 Ų141.1 Ų41.11%0.00722%0.218CC..Hα-helixtrans-63.6-39.6178-67.40000112.3F136 S137 L143 A144 E166 A170F136-C140 WeakPolarHBondContact CE1-SG 3.25Å; F136-C140 PolarHBondContact O-N 3.48Å; F136-C140 PolarHBondContact O-SG 3.46Å; S137-C140 CarbonylContact O-C 3.6Å; S137-C140 WeakPolarHBondContact O-CA 3.38Å; S137-C140 WeakPolarHBondContact O-CB 3.37Å; S137-C140 PolarHBondContact O-N 3.38Å; C140-L143 WeakPolarHBondContact O-CB 3.47Å; C140-L143 PolarHBondContact O-N 2.87Å; C140-A144 WeakPolarHBondContact O-CB 3.44Å; C140-A144 PolarHBondContact O-N 2.88Å; C140-E166 HydrophobicContact CB-CB 4.29Å; C140-A170 HydrophobicContact CB-CB 3.94Å; C140-A170 WeakPolarHBondContact O-CB 3.23Å
141D96.5Very high95.6Very high87 Ų8742.6 Ų42.647%0.46523%0.225SC..Hα-helixtrans-62.9-41.5174.3-84.4-20.1000112.6S137 A144 S145S137-D141 PolarHBondContact O-N 2.89Å; D141-A144 PolarHBondContact O-N 3.36Å; D141-S145 PolarHBondContact O-N 3.38Å; D141-S145 PolarHBondContact O-OG 3.31Å
142G96Very high95.9Very high5 Ų539.9 Ų39.95%0.05221%0.208CC..Hα-helixtrans-58-47.6171.300000111.9G110 L138 F139 A144 S145 N146G110-G142 WeakPolarHBondContact O-CA 3.26Å; L138-G142 PolarHBondContact O-N 2.92Å; L138-G142 VanDerWaalsContact O-N 3.13Å; F139-G142 PolarHBondContact O-N 2.86Å; G142-A144 PolarHBondContact O-N 3.48Å; G142-S145 PolarHBondContact O-N 3.01Å; G142-S145 PolarHBondContact O-OG 3.19Å; G142-S145 VanDerWaalsContact O-OG 3.07Å; G142-N146 WeakPolarHBondContact O-CB 3.49Å; G142-N146 PolarHBondContact O-N 3.45Å
143L96.8Very high96.1Very high0 Ų035.8 Ų35.80%019%0.194CC..Hα-helixtrans-62.6-40.6176.5-176.864.8000112.1L113 F139 C140 S145 N146 L149 L152 L167 N174L113-L143 HydrophobicContact CD1-CB 4.26Å; L113-L143 HydrophobicContact CD1-CD1 4.43Å; F139-L143 PolarHBondContact O-N 2.87Å; C140-L143 WeakPolarHBondContact O-CB 3.47Å; C140-L143 PolarHBondContact O-N 2.87Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 3.45Å; L143-N146 PolarHBondContact O-N 3.39Å; L143-L149 HydrophobicContact CD1-CD2 3.78Å; L143-L152 HydrophobicContact CD1-CD2 4.08Å; L143-L152 HydrophobicContact CD2-CD2 3.83Å; L143-L167 HydrophobicContact CD2-CD1 3.63Å; L143-N174 PolarHBondContact O-ND2 3.36Å
144A96.6Very high96.4Very high10 Ų1031.3 Ų31.38%0.08317%0.173CC..Hα-helixtrans-62.1-32.3-179.900000113.1C140 D141 G142 A170 R173C140-A144 WeakPolarHBondContact O-CB 3.44Å; C140-A144 PolarHBondContact O-N 2.88Å; D141-A144 PolarHBondContact O-N 3.36Å; G142-A144 PolarHBondContact O-N 3.48Å; A144-A170 HydrophobicContact CB-CB 3.96Å; A144-R173 HydrophobicContact CB-CB 4.2Å
145S95.2Very high96.6Very high61 Ų6125.9 Ų25.943%0.42715%0.145SC..Hα-helixtrans-94.2-10.4179.262.20000114D141 G142 L143D141-S145 PolarHBondContact O-N 3.38Å; D141-S145 PolarHBondContact O-OG 3.31Å; G142-S145 PolarHBondContact O-N 3.01Å; G142-S145 PolarHBondContact O-OG 3.19Å; G142-S145 VanDerWaalsContact O-OG 3.07Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 3.45Å
146N95.8Very high96.7Very high4 Ų427.9 Ų27.92%0.02116%0.155CC..  trans-74.5141.4176-168.9-81.1000111.1L113 N116 G142 L143 T148 L149 N174L113-N146 HydrophobicContact CB-CB 4.39Å; L113-N146 WeakPolarHBondContact O-CB 3.42Å; L113-N146 PolarHBondContact O-ND2 2.89Å; N116-N146 PolarHBondContact O-ND2 2.98Å; G142-N146 WeakPolarHBondContact O-CB 3.49Å; G142-N146 PolarHBondContact O-N 3.45Å; L143-N146 PolarHBondContact O-N 3.39Å; N146-T148 PolarHBondContact OD1-N 2.83Å; N146-T148 PolarHBondContact OD1-OG1 2.99Å; N146-L149 VanDerWaalsContact OD1-CB 3.27Å; N146-L149 WeakPolarHBondContact OD1-CB 3.24Å; N146-L149 PolarHBondContact OD1-N 3.02Å; N146-N174 PolarHBondContact O-ND2 2.88Å
147N95.1Very high96.8Very high93 Ų9327.8 Ų27.850%0.49716%0.155SC..SBendtrans-132.419.8-176.765-6.3000112.9K117 T176K117-N147 VanDerWaalsContact CD-OD1 3.26Å; K117-N147 WeakPolarHBondContact CD-OD1 3.43Å; N147-T176 HydrophobicContact CB-CG2 4.2Å; N147-T176 WeakPolarHBondContact O-CG2 3.37Å
148T96.1Very high96.7Very high23 Ų2331.9 Ų31.914%0.14117%0.17CC..SBendtrans-129.9-27.9-179.8610000113.2K117 L119 N146 T150K117-T148 VanDerWaalsContact C-CG2 3.5Å; K117-T148 HydrophobicContact CB-CG2 4.14Å; K117-T148 WeakPolarHBondContact O-CG2 3.24Å; L119-T148 CarbonylContact O-C 3.4Å; L119-T148 VanDerWaalsContact O-C 3.23Å; L119-T148 WeakPolarHBondContact O-CB 3.36Å; L119-T148 PolarHBondContact O-OG1 3.24Å; N146-T148 PolarHBondContact OD1-N 2.83Å; N146-T148 PolarHBondContact OD1-OG1 2.99Å; T148-T150 PolarHBondContact O-N 2.98Å
149L97.4Very high96.8Very high0 Ų027.9 Ų27.90%015%0.149CC..  trans-67.3123.8178.5-162.976.1000109.5L113 L119 L122 L143 N146 L152 T176 L177L113-L149 HydrophobicContact CD2-CD2 4.04Å; L119-L149 HydrophobicContact CB-CD1 4.42Å; L119-L149 WeakPolarHBondContact O-CA 3.29Å; L119-L149 PolarHBondContact O-N 2.96Å; L122-L149 HydrophobicContact CB-CD1 3.75Å; L122-L149 HydrophobicContact CB-CD2 4.42Å; L143-L149 HydrophobicContact CD1-CD2 3.78Å; N146-L149 VanDerWaalsContact OD1-CB 3.27Å; N146-L149 WeakPolarHBondContact OD1-CB 3.24Å; N146-L149 PolarHBondContact OD1-N 3.02Å; L149-L152 HydrophobicContact CD2-CB 4.08Å; L149-L152 HydrophobicContact CD2-CD1 4.33Å; L149-L152 HydrophobicContact CD2-CD2 4.39Å; L149-T176 CarbonylContact O-C 3.44Å; L149-T176 VanDerWaalsContact O-C 3.29Å; L149-T176 PolarHBondContact O-OG1 3.12Å; L149-T176 VanDerWaalsContact O-OG1 3.1Å; L149-L177 HydrophobicContact CD2-CD1 4.15Å; L149-L177 HydrophobicContact CG-CD1 4.22Å; L149-L177 WeakPolarHBondContact O-CA 3.41Å; L149-L177 PolarHBondContact O-N 2.7Å
150T97.5Very high96.6Very high28 Ų2829.3 Ų29.317%0.17216%0.157CC..  trans-113.2-26.717952.90000111.8H120 T148 Q178 E179H120-T150 PolarHBondContact O-N 2.98Å; H120-T150 PolarHBondContact O-OG1 3.46Å; H120-T150 VanDerWaalsContact O-OG1 3.13Å; T148-T150 PolarHBondContact O-N 2.98Å; T150-Q178 HydrophobicContact CG2-CG 4.49Å; T150-Q178 WeakPolarHBondContact O-CA 3.48Å; T150-Q178 PolarHBondContact O-N 3.42Å; T150-E179 PolarHBondContact O-N 3Å
151H98.3Very high96.5Very high31 Ų3132.6 Ų32.614%0.14417%0.172CC..EExtended strand (participates in β ladder)trans-128.6124.9-177.8-60.269.2000110.9H120 R121 L122 E179H120-H151 PolarHBondContact O-N 3.27Å; R121-H151 WeakPolarHBondContact CA-O 3.49Å; R121-H151 HydrophobicContact CB-CB 4.11Å; R121-H151 HydrophobicContact CG-CB 3.96Å; R121-H151 VanDerWaalsContact CZ-CD2 3.44Å; R121-H151 PolarHBondContact NH1-CD2 2.96Å; R121-H151 VanDerWaalsContact NH1-CD2 3.32Å; R121-H151 PolarHBondContact NH2-CD2 3.06Å; R121-H151 PolarHBondContact NH2-NE2 3.35Å; R121-H151 VanDerWaalsContact NH2-NE2 3.12Å; L122-H151 PolarHBondContact N-O 3.47Å; H151-E179 WeakPolarHBondContact CA-O 3.49Å; H151-E179 IonicContact CD2-OE1 3.94Å; H151-E179 IonicContact CD2-OE2 2.7Å; H151-E179 PolarHBondContact CD2-OE2 2.9Å; H151-E179 VanDerWaalsContact NE2-CD 3.27Å; H151-E179 IonicContact NE2-OE1 2.69Å; H151-E179 PolarHBondContact NE2-OE1 3.49Å; H151-E179 IonicContact NE2-OE2 3.64Å; H151-E179 PolarHBondContact NE2-OE2 2.96Å
152L98.3Very high96.5Very high5 Ų533 Ų333%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-133.5121.7178.7177.957.3000110.5L122 L124 F139 L143 L149 L154 L177 E179 L180 D181L122-L152 HydrophobicContact CB-CD1 4.14Å; L122-L152 HydrophobicContact CD2-CD1 4.2Å; L122-L152 HydrophobicContact CG-CD1 4.17Å; L124-L152 HydrophobicContact CD1-CD1 4.11Å; F139-L152 HydrophobicContact CE1-CD2 4.34Å; F139-L152 HydrophobicContact CZ-CD1 4.22Å; F139-L152 HydrophobicContact CZ-CD2 4.22Å; L143-L152 HydrophobicContact CD1-CD2 4.08Å; L143-L152 HydrophobicContact CD2-CD2 3.83Å; L149-L152 HydrophobicContact CD2-CB 4.08Å; L149-L152 HydrophobicContact CD2-CD1 4.33Å; L149-L152 HydrophobicContact CD2-CD2 4.39Å; L152-L154 HydrophobicContact CD1-CD2 4.36Å; L152-L154 HydrophobicContact CD1-CG 4.07Å; L152-L154 HydrophobicContact CD2-CD1 3.81Å; L152-L154 HydrophobicContact CD2-CG 4.2Å; L152-L154 HydrophobicContact CG-CD1 4.06Å; L152-L154 HydrophobicContact CG-CG 3.91Å; L152-L177 HydrophobicContact CB-CD1 3.69Å; L152-L177 HydrophobicContact CB-CD2 4.4Å; L152-E179 PolarHBondContact N-O 2.66Å; L152-L180 HydrophobicContact CB-CD1 4.16Å; L152-L180 HydrophobicContact CD2-CD1 4.06Å; L152-L180 HydrophobicContact CG-CD1 4.04Å; L152-L180 WeakPolarHBondContact O-CA 3.43Å; L152-D181 PolarHBondContact O-N 3.42Å
153D98.2Very high96.5Very high16 Ų1632.8 Ų32.89%0.08617%0.169CC..EExtended strand (participates in β ladder)trans-108.1113.9174.3175.77.2000110.4L122 V123 L124 R155 D181L122-D153 PolarHBondContact O-N 2.91Å; V123-D153 HydrophobicContact CG1-CB 4.29Å; V123-D153 HydrophobicContact CG2-CB 4.42Å; L124-D153 CarbonylContact C-O 3.58Å; L124-D153 WeakPolarHBondContact CA-O 2.93Å; L124-D153 WeakPolarHBondContact CB-O 3.17Å; L124-D153 PolarHBondContact N-O 3.38Å; D153-R155 VanDerWaalsContact CG-NE 3.27Å; D153-R155 VanDerWaalsContact OD1-CB 3.31Å; D153-R155 WeakPolarHBondContact OD1-CB 3.22Å; D153-R155 WeakPolarHBondContact OD1-CG 3.49Å; D153-R155 IonicContact OD1-CZ 3.19Å; D153-R155 PolarHBondContact OD1-N 3.42Å; D153-R155 IonicContact OD1-NE 3.43Å; D153-R155 PolarHBondContact OD1-NE 3.32Å; D153-R155 IonicContact OD2-CZ 2.65Å; D153-R155 IonicContact OD2-NE 3.87Å; D153-R155 PolarHBondContact OD2-NE 2.91Å; D153-R155 IonicContact OD2-NH2 3Å; D153-R155 PolarHBondContact OD2-NH2 3.3Å; D153-D181 HydrophobicContact CB-CB 4.46Å
154L97.7Very high96.4Very high0 Ų032.8 Ų32.80%017%0.169CC..  trans-118.425.8179.3-73.7172.5000111.8L124 L129 F139 L152 N157 I159 L167 L180 D181 L182 N185L124-L154 HydrophobicContact CB-CD2 4.15Å; L124-L154 HydrophobicContact CD1-CD2 3.93Å; L129-L154 HydrophobicContact CD1-CD2 3.97Å; F139-L154 HydrophobicContact CE1-CD1 4.21Å; F139-L154 HydrophobicContact CE1-CD2 4.24Å; F139-L154 HydrophobicContact CZ-CD2 4.25Å; L152-L154 HydrophobicContact CD1-CD2 4.36Å; L152-L154 HydrophobicContact CD1-CG 4.07Å; L152-L154 HydrophobicContact CD2-CD1 3.81Å; L152-L154 HydrophobicContact CD2-CG 4.2Å; L152-L154 HydrophobicContact CG-CD1 4.06Å; L152-L154 HydrophobicContact CG-CG 3.91Å; L154-N157 WeakPolarHBondContact CA-ND2 3.25Å; L154-N157 WeakPolarHBondContact O-CB 3.48Å; L154-N157 PolarHBondContact O-ND2 2.99Å; L154-I159 HydrophobicContact CB-CD1 3.96Å; L154-I159 HydrophobicContact CD1-CD1 4.1Å; L154-I159 HydrophobicContact CG-CD1 4.48Å; L154-L167 HydrophobicContact CD1-CD2 4.41Å; L154-L180 HydrophobicContact CD1-CD1 4.2Å; L154-D181 CarbonylContact C-O 3.38Å; L154-D181 WeakPolarHBondContact CA-O 3.25Å; L154-D181 PolarHBondContact N-O 3.49Å; L154-L182 HydrophobicContact CB-CD2 3.84Å; L154-L182 HydrophobicContact CD1-CD2 4.02Å; L154-N185 PolarHBondContact O-ND2 3.49Å
155R97.4Very high96.5Very high55 Ų5534 Ų3421%0.20818%0.177CC..THydrogen-bonded Turntrans-57.8142.2177.4-71.6177.9-71.716113.7112.8E125 W126 D153 N157 D181 R183E125-R155 VanDerWaalsContact CA-O 3.27Å; E125-R155 WeakPolarHBondContact CA-O 3.31Å; E125-R155 HydrophobicContact CB-CB 4.28Å; E125-R155 HydrophobicContact CG-CB 3.97Å; E125-R155 IonicContact OE1-CZ 2.87Å; E125-R155 IonicContact OE1-NH1 3.87Å; E125-R155 IonicContact OE2-CZ 2.97Å; E125-R155 IonicContact OE2-NE 3.2Å; E125-R155 IonicContact OE2-NH1 3.95Å; E125-R155 IonicContact OE2-NH2 3.81Å; E125-R155 PolarHBondContact OE2-NH2 3.09Å; W126-R155 PolarHBondContact N-O 3.12Å; D153-R155 VanDerWaalsContact CG-NE 3.27Å; D153-R155 VanDerWaalsContact OD1-CB 3.31Å; D153-R155 WeakPolarHBondContact OD1-CB 3.22Å; D153-R155 WeakPolarHBondContact OD1-CG 3.49Å; D153-R155 IonicContact OD1-CZ 3.19Å; D153-R155 PolarHBondContact OD1-N 3.42Å; D153-R155 IonicContact OD1-NE 3.43Å; D153-R155 PolarHBondContact OD1-NE 3.32Å; D153-R155 IonicContact OD2-CZ 2.65Å; D153-R155 IonicContact OD2-NE 3.87Å; D153-R155 PolarHBondContact OD2-NE 2.91Å; D153-R155 IonicContact OD2-NH2 3Å; D153-R155 PolarHBondContact OD2-NH2 3.3Å; R155-N157 VanDerWaalsContact C-N 3.29Å; R155-N157 PolarHBondContact O-N 3Å; R155-N157 PolarHBondContact O-ND2 2.91Å; R155-D181 VanDerWaalsContact CD-CG 3.45Å; R155-D181 WeakPolarHBondContact CD-OD1 3.44Å; R155-D181 WeakPolarHBondContact CD-OD2 3.34Å; R155-D181 HydrophobicContact CG-CB 4.17Å; R155-D181 WeakPolarHBondContact CG-OD1 3.38Å; R155-D181 IonicContact NE-OD2 3.3Å; R155-D181 PolarHBondContact NE-OD2 2.89Å; R155-R183 VanDerWaalsContact CA-O 3.22Å; R155-R183 WeakPolarHBondContact CA-O 3.4Å; R155-R183 HydrophobicContact CG-CB 4Å
156N96.1Very high96.6Very high50 Ų5034.1 Ų34.127%0.26717%0.171SC..THydrogen-bonded Turntrans51.244.5175.8-75-62000113.7W126 R183 W184W126-N156 WeakPolarHBondContact CA-O 3.41Å; W126-N156 HydrophobicContact CG-CB 3.97Å; W126-N156 VanDerWaalsContact NE1-CG 3.28Å; W126-N156 PolarHBondContact NE1-ND2 3.31Å; N156-R183 PolarHBondContact N-O 3.43Å; N156-R183 VanDerWaalsContact N-O 3.1Å; N156-W184 VanDerWaalsContact CA-O 3.27Å; N156-W184 WeakPolarHBondContact CA-O 3.43Å; N156-W184 PolarHBondContact N-O 2.94Å; N156-W184 WeakPolarHBondContact OD1-CB 3.35Å; N156-W184 PolarHBondContact OD1-O 2.88Å
157N96.8Very high96.6Very high0 Ų034 Ų340%017%0.17CC..SBendtrans-102.48.5177.1-86.4-75000114L124 N127 A128 L129 G130 L154 R155 I159 N185L124-N157 PolarHBondContact O-ND2 2.96Å; L124-N157 PolarHBondContact O-OD1 3.37Å; N127-N157 WeakPolarHBondContact CA-OD1 3.36Å; N127-N157 WeakPolarHBondContact CB-OD1 3.31Å; N127-N157 PolarHBondContact N-OD1 3.07Å; A128-N157 CarbonylContact C-O 3.51Å; A128-N157 PolarHBondContact N-OD1 2.95Å; L129-N157 HydrophobicContact CB-CB 4.48Å; L129-N157 WeakPolarHBondContact CG-OD1 3.42Å; L129-N157 PolarHBondContact N-O 3.27Å; L129-N157 PolarHBondContact N-OD1 3.34Å; G130-N157 WeakPolarHBondContact CA-O 3.42Å; G130-N157 PolarHBondContact N-O 3.45Å; L154-N157 WeakPolarHBondContact CA-ND2 3.25Å; L154-N157 WeakPolarHBondContact O-CB 3.48Å; L154-N157 PolarHBondContact O-ND2 2.99Å; R155-N157 VanDerWaalsContact C-N 3.29Å; R155-N157 PolarHBondContact O-N 3Å; R155-N157 PolarHBondContact O-ND2 2.91Å; N157-I159 HydrophobicContact CB-CD1 4.06Å; N157-I159 HydrophobicContact CB-CG1 3.93Å; N157-I159 PolarHBondContact O-N 3.04Å; N157-N185 VanDerWaalsContact C-OD1 3.29Å; N157-N185 WeakPolarHBondContact CA-OD1 3.33Å; N157-N185 PolarHBondContact N-OD1 2.86Å
158Q95.3Very high96.7Very high116 Ų11629.7 Ų29.754%0.54215%0.148SC..  trans56.632.5-178-56175.751.700112.6G130 V131 N160 N185G130-Q158 CarbonylContact C-O 3.51Å; V131-Q158 HydrophobicContact CG2-CB 3.67Å; V131-Q158 HydrophobicContact CG2-CG 4.22Å; Q158-N160 PolarHBondContact O-N 3.25Å; Q158-N185 PolarHBondContact N-OD1 3.26Å
159I96.4Very high96.7Very high0 Ų032.7 Ų32.70%016%0.163CC..  trans-68.2118.6178.2-60.2168000108.9F136 L154 N157 A164 L182 N185 N186 I187F136-I159 HydrophobicContact CE1-CG2 4.29Å; F136-I159 HydrophobicContact CE2-CD1 4.08Å; F136-I159 HydrophobicContact CE2-CG1 4.12Å; F136-I159 HydrophobicContact CZ-CD1 3.74Å; F136-I159 HydrophobicContact CZ-CG1 3.95Å; F136-I159 HydrophobicContact CZ-CG2 4.37Å; L154-I159 HydrophobicContact CB-CD1 3.96Å; L154-I159 HydrophobicContact CD1-CD1 4.1Å; L154-I159 HydrophobicContact CG-CD1 4.48Å; N157-I159 HydrophobicContact CB-CD1 4.06Å; N157-I159 HydrophobicContact CB-CG1 3.93Å; N157-I159 PolarHBondContact O-N 3.04Å; I159-A164 HydrophobicContact CG2-CB 4.47Å; I159-L182 HydrophobicContact CD1-CD2 3.75Å; I159-N185 HydrophobicContact CB-CB 4.04Å; I159-N185 PolarHBondContact N-OD1 2.78Å; I159-N186 CarbonylContact O-C 3.57Å; I159-N186 WeakPolarHBondContact O-CA 3.3Å; I159-N186 PolarHBondContact O-N 2.92Å; I159-I187 HydrophobicContact CG2-CG1 4.45Å; I159-I187 PolarHBondContact O-N 3.44Å
160N94.6Very high96.7Very high31 Ų3132.9 Ų32.917%0.16616%0.164CC..BIsolated β-bridgetrans-88.1-179177.17411.4000111.5E133 Q158 H162 G163 A164 N186E133-N160 PolarHBondContact OE1-ND2 2.9Å; Q158-N160 PolarHBondContact O-N 3.25Å; N160-H162 VanDerWaalsContact C-N 3.31Å; N160-H162 PolarHBondContact O-N 3.42Å; N160-H162 WeakPolarHBondContact OD1-CA 3.49Å; N160-H162 WeakPolarHBondContact OD1-CB 3.37Å; N160-H162 PolarHBondContact OD1-N 2.87Å; N160-G163 PolarHBondContact O-N 3.38Å; N160-G163 PolarHBondContact OD1-N 3.38Å; N160-A164 PolarHBondContact O-N 2.97Å; N160-N186 WeakPolarHBondContact CA-O 3.45Å
161H95Very high96.7Very high69 Ų6931.6 Ų31.632%0.31916%0.156SC..Hα-helixtrans-62.6-30.6178.965.2-76000114.6S165 I187 L190H161-S165 PolarHBondContact O-N 3.27Å; H161-S165 PolarHBondContact O-OG 3Å; H161-I187 VanDerWaalsContact CA-O 3.29Å; H161-I187 WeakPolarHBondContact CA-O 3.48Å; H161-I187 WeakPolarHBondContact CB-O 3.32Å; H161-L190 HydrophobicContact CB-CB 4.24Å
162H95.3Very high96.6Very high95 Ų9535.7 Ų35.744%0.4417%0.17SC..Hα-helixtrans-69.5-50.2173.7-73.5-68.9000110.9E133 N160 A164 S165 E166E133-H162 HydrophobicContact CG-CB 4.49Å; E133-H162 WeakPolarHBondContact OE1-CB 3.35Å; E133-H162 IonicContact OE1-CD2 3.45Å; E133-H162 PolarHBondContact OE1-CD2 3.11Å; E133-H162 VanDerWaalsContact OE1-CD2 3.3Å; E133-H162 IonicContact OE1-CG 3.64Å; N160-H162 VanDerWaalsContact C-N 3.31Å; N160-H162 PolarHBondContact O-N 3.42Å; N160-H162 WeakPolarHBondContact OD1-CA 3.49Å; N160-H162 WeakPolarHBondContact OD1-CB 3.37Å; N160-H162 PolarHBondContact OD1-N 2.87Å; H162-A164 VanDerWaalsContact C-N 3.28Å; H162-A164 PolarHBondContact O-N 2.75Å; H162-S165 WeakPolarHBondContact O-CA 3.4Å; H162-S165 WeakPolarHBondContact O-CB 3.42Å; H162-S165 PolarHBondContact O-N 3.43Å; H162-E166 PolarHBondContact O-N 2.79Å
163G95.6Very high96.4Very high2 Ų243.9 Ų43.92%0.02120%0.201CC..Hα-helixtrans-58.1-38.717500000112.6F136 N160 S165 E166 L167F136-G163 WeakPolarHBondContact CE1-O 3.1Å; N160-G163 PolarHBondContact O-N 3.38Å; N160-G163 PolarHBondContact OD1-N 3.38Å; G163-S165 VanDerWaalsContact C-N 3.28Å; G163-S165 PolarHBondContact O-N 3.14Å; G163-E166 PolarHBondContact O-N 2.78Å; G163-L167 WeakPolarHBondContact O-CB 3.49Å; G163-L167 PolarHBondContact O-N 3.11Å
164A96.6Very high96.3Very high0 Ų043.3 Ų43.30%020%0.198CC..Hα-helixtrans-64.7-31.1173.300000113.3I159 N160 H162 A168 I187 L195I159-A164 HydrophobicContact CG2-CB 4.47Å; N160-A164 PolarHBondContact O-N 2.97Å; H162-A164 VanDerWaalsContact C-N 3.28Å; H162-A164 PolarHBondContact O-N 2.75Å; A164-A168 WeakPolarHBondContact O-CB 3.48Å; A164-A168 PolarHBondContact O-N 3.45Å; A164-I187 HydrophobicContact CB-CB 4.28Å; A164-I187 HydrophobicContact CB-CG1 4.01Å; A164-I187 HydrophobicContact CB-CG2 3.65Å; A164-L195 HydrophobicContact CB-CD1 4.23Å
165S96.8Very high96.1Very high34 Ų3447.8 Ų47.824%0.23823%0.229CC..Hα-helixtrans-72.3-40.2175.7-58.90000111.7H161 H162 G163 A168 L169 S194H161-S165 PolarHBondContact O-N 3.27Å; H161-S165 PolarHBondContact O-OG 3Å; H162-S165 WeakPolarHBondContact O-CA 3.4Å; H162-S165 WeakPolarHBondContact O-CB 3.42Å; H162-S165 PolarHBondContact O-N 3.43Å; G163-S165 VanDerWaalsContact C-N 3.28Å; G163-S165 PolarHBondContact O-N 3.14Å; S165-A168 WeakPolarHBondContact O-CB 3.3Å; S165-A168 PolarHBondContact O-N 3.09Å; S165-L169 WeakPolarHBondContact O-CG 3.5Å; S165-L169 PolarHBondContact O-N 3.47Å; S165-S194 PolarHBondContact OG-OG 3.07Å
166E97.3Very high96.1Very high65 Ų6546.6 Ų46.630%0.30423%0.228SC..Hα-helixtrans-61.5-44.6171.1-68.4-61.3119.200111.6S137 C140 H162 G163 A168 L169 A170S137-E166 PolarHBondContact OG-OE2 3.33Å; C140-E166 HydrophobicContact CB-CB 4.29Å; H162-E166 PolarHBondContact O-N 2.79Å; G163-E166 PolarHBondContact O-N 2.78Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 2.96Å; E166-L169 WeakPolarHBondContact O-CB 3.43Å; E166-L169 PolarHBondContact O-N 3.5Å; E166-L169 VanDerWaalsContact O-N 3.15Å; E166-A170 PolarHBondContact O-N 3.46Å
167L97.3Very high96.1Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-61.4-40.7175.7-17462.9000111.4F136 L143 L154 G163 L169 A170 L171 L180 L182 L195F136-L167 HydrophobicContact CE1-CB 4.47Å; L143-L167 HydrophobicContact CD2-CD1 3.63Å; L154-L167 HydrophobicContact CD1-CD2 4.41Å; G163-L167 WeakPolarHBondContact O-CB 3.49Å; G163-L167 PolarHBondContact O-N 3.11Å; L167-L169 VanDerWaalsContact C-N 3.35Å; L167-L169 PolarHBondContact O-N 3.45Å; L167-A170 WeakPolarHBondContact O-CB 3.42Å; L167-A170 PolarHBondContact O-N 3.33Å; L167-L171 HydrophobicContact CG-CD1 4.41Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.14Å; L167-L171 PolarHBondContact O-N 3.23Å; L167-L180 HydrophobicContact CD2-CD2 4.16Å; L167-L182 HydrophobicContact CD2-CD1 3.74Å; L167-L182 HydrophobicContact CD2-CD2 3.69Å; L167-L182 HydrophobicContact CD2-CG 4.29Å; L167-L195 HydrophobicContact CD2-CD2 4.48Å; L167-L195 HydrophobicContact CG-CD2 4.48Å
168A96.9Very high96.1Very high4 Ų446.9 Ų46.93%0.03323%0.228CC..Hα-helixtrans-60-42.9174.600000112A164 S165 E166 A170 L171 R172 S194 L195 A198A164-A168 WeakPolarHBondContact O-CB 3.48Å; A164-A168 PolarHBondContact O-N 3.45Å; S165-A168 WeakPolarHBondContact O-CB 3.3Å; S165-A168 PolarHBondContact O-N 3.09Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 2.96Å; A168-A170 VanDerWaalsContact C-N 3.35Å; A168-A170 PolarHBondContact O-N 3.18Å; A168-L171 PolarHBondContact O-N 3.38Å; A168-R172 WeakPolarHBondContact O-CG 3.31Å; A168-R172 PolarHBondContact O-N 2.81Å; A168-R172 VanDerWaalsContact O-N 3.1Å; A168-S194 WeakPolarHBondContact CB-O 3.45Å; A168-L195 HydrophobicContact CB-CD2 4.11Å; A168-L195 HydrophobicContact CB-CG 4.45Å; A168-A198 HydrophobicContact CB-CB 3.75Å; A168-A198 WeakPolarHBondContact O-CB 3.23Å
169L96.7Very high96.2Very high86 Ų8644.3 Ų44.345%0.4522%0.216SC..Hα-helixtrans-62.1-41.9174.5-69.3174.1000112S165 E166 L167 R172S165-L169 WeakPolarHBondContact O-CG 3.5Å; S165-L169 PolarHBondContact O-N 3.47Å; E166-L169 WeakPolarHBondContact O-CB 3.43Å; E166-L169 PolarHBondContact O-N 3.5Å; E166-L169 VanDerWaalsContact O-N 3.15Å; L167-L169 VanDerWaalsContact C-N 3.35Å; L167-L169 PolarHBondContact O-N 3.45Å; L169-R172 PolarHBondContact O-N 3.43Å
170A96.9Very high96.3Very high4 Ų444.4 Ų44.43%0.03322%0.216CC..Hα-helixtrans-63.3-45.4175.900000112.2C140 A144 E166 L167 A168 R172 R173 N174C140-A170 HydrophobicContact CB-CB 3.94Å; C140-A170 WeakPolarHBondContact O-CB 3.23Å; A144-A170 HydrophobicContact CB-CB 3.96Å; E166-A170 PolarHBondContact O-N 3.46Å; L167-A170 WeakPolarHBondContact O-CB 3.42Å; L167-A170 PolarHBondContact O-N 3.33Å; A168-A170 VanDerWaalsContact C-N 3.35Å; A168-A170 PolarHBondContact O-N 3.18Å; A170-R172 VanDerWaalsContact C-N 3.27Å; A170-R172 PolarHBondContact O-N 2.86Å; A170-R173 PolarHBondContact O-N 3.43Å; A170-N174 PolarHBondContact O-N 3.44Å
171L97.1Very high96.5Very high1 Ų144 Ų441%0.00521%0.214CC..Hα-helixtrans-61.5-33177.9-70.7176.9000112.5L167 A168 R173 N174 L177 L180 L195 A198 N202 V205L167-L171 HydrophobicContact CG-CD1 4.41Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.14Å; L167-L171 PolarHBondContact O-N 3.23Å; A168-L171 PolarHBondContact O-N 3.38Å; L171-R173 PolarHBondContact O-N 2.94Å; L171-N174 VanDerWaalsContact O-O 3.06Å; L171-L177 HydrophobicContact CD2-CD2 3.63Å; L171-L180 HydrophobicContact CD1-CD2 3.82Å; L171-L180 HydrophobicContact CD2-CD2 4.23Å; L171-L195 HydrophobicContact CD1-CD2 3.84Å; L171-A198 HydrophobicContact CB-CB 4.46Å; L171-N202 WeakPolarHBondContact O-CB 3.35Å; L171-N202 PolarHBondContact O-ND2 3.12Å; L171-V205 HydrophobicContact CD2-CG2 4.14Å
172R95.8Very high96.6Very high117 Ų11740.7 Ų40.744%0.44220%0.199SC..Hα-helixtrans-61-27.9175.3-73.4177.860.8-147.5-3.8113.4A168 L169 A170 A198 K201A168-R172 WeakPolarHBondContact O-CG 3.31Å; A168-R172 PolarHBondContact O-N 2.81Å; A168-R172 VanDerWaalsContact O-N 3.1Å; L169-R172 PolarHBondContact O-N 3.43Å; A170-R172 VanDerWaalsContact C-N 3.27Å; A170-R172 PolarHBondContact O-N 2.86Å; R172-A198 HydrophobicContact CG-CB 3.8Å; R172-K201 HydrophobicContact CG-CB 4.43Å; R172-K201 HydrophobicContact CG-CD 4.37Å; R172-K201 VanDerWaalsContact NE-CD 3.26Å
173R95.1Very high96.7Very high177 Ų17739.7 Ų39.767%0.66819%0.191SC*.Hα-helixtrans-97.7-36-178.5-63.8177.266.3-175.41112A144 A170 L171A144-R173 HydrophobicContact CB-CB 4.2Å; A170-R173 PolarHBondContact O-N 3.43Å; L171-R173 PolarHBondContact O-N 2.94Å
174N96.1Very high96.7Very high4 Ų446.9 Ų46.92%0.02122%0.218CC..  trans-66.4137.9175.9-170.3-68.6000109.9L143 N146 A170 L171 T176 L177 N202L143-N174 PolarHBondContact O-ND2 3.36Å; N146-N174 PolarHBondContact O-ND2 2.88Å; A170-N174 PolarHBondContact O-N 3.44Å; L171-N174 VanDerWaalsContact O-O 3.06Å; N174-T176 PolarHBondContact OD1-N 2.96Å; N174-T176 PolarHBondContact OD1-OG1 3.21Å; N174-L177 WeakPolarHBondContact OD1-CB 3.38Å; N174-L177 PolarHBondContact OD1-N 2.98Å; N174-N202 PolarHBondContact O-ND2 2.9Å
175S93.7Very high96.7Very high93 Ų9347.4 Ų47.465%0.6522%0.221SC*.  trans-127.99-179.154.90000113.4S204S175-S204 WeakPolarHBondContact O-CB 3.35Å
176T95.8Very high96.6Very high31 Ų3150.7 Ų50.719%0.1924%0.235CC..SBendtrans-119.3-24.7-173.763.70000113.1N147 L149 N174 Q178N147-T176 HydrophobicContact CB-CG2 4.2Å; N147-T176 WeakPolarHBondContact O-CG2 3.37Å; L149-T176 CarbonylContact O-C 3.44Å; L149-T176 VanDerWaalsContact O-C 3.29Å; L149-T176 PolarHBondContact O-OG1 3.12Å; L149-T176 VanDerWaalsContact O-OG1 3.1Å; N174-T176 PolarHBondContact OD1-N 2.96Å; N174-T176 PolarHBondContact OD1-OG1 3.21Å; T176-Q178 WeakPolarHBondContact O-CG 3.46Å; T176-Q178 PolarHBondContact O-N 2.98Å
177L97.4Very high96.5Very high0 Ų047.6 Ų47.60%022%0.221CC..  trans-66.2125.4176.8-165.372.9000109.7L149 L152 L171 N174 L180 S204 V205L149-L177 HydrophobicContact CD2-CD1 4.15Å; L149-L177 HydrophobicContact CG-CD1 4.22Å; L149-L177 WeakPolarHBondContact O-CA 3.41Å; L149-L177 PolarHBondContact O-N 2.7Å; L152-L177 HydrophobicContact CB-CD1 3.69Å; L152-L177 HydrophobicContact CB-CD2 4.4Å; L171-L177 HydrophobicContact CD2-CD2 3.63Å; N174-L177 WeakPolarHBondContact OD1-CB 3.38Å; N174-L177 PolarHBondContact OD1-N 2.98Å; L177-L180 HydrophobicContact CD2-CB 4.09Å; L177-L180 HydrophobicContact CD2-CD1 4.41Å; L177-L180 HydrophobicContact CD2-CD2 4.32Å; L177-S204 CarbonylContact O-C 3.13Å; L177-S204 VanDerWaalsContact O-CB 3.32Å; L177-S204 WeakPolarHBondContact O-CB 3.46Å; L177-S204 PolarHBondContact O-OG 3.29Å; L177-V205 WeakPolarHBondContact O-CA 3.19Å; L177-V205 WeakPolarHBondContact O-CG2 3.42Å; L177-V205 PolarHBondContact O-N 2.8Å
178Q96.7Very high96.4Very high55 Ų5548.3 Ų48.326%0.25723%0.228SC..  trans-110.7-45.2-176.3-62.8-166.1-4400111.2T150 T176 S204 V205 I206 Q207 E234T150-Q178 HydrophobicContact CG2-CG 4.49Å; T150-Q178 WeakPolarHBondContact O-CA 3.48Å; T150-Q178 PolarHBondContact O-N 3.42Å; T176-Q178 WeakPolarHBondContact O-CG 3.46Å; T176-Q178 PolarHBondContact O-N 2.98Å; Q178-S204 WeakPolarHBondContact CA-O 3.46Å; Q178-V205 WeakPolarHBondContact O-CA 3.42Å; Q178-I206 HydrophobicContact CB-CD1 4.15Å; Q178-I206 HydrophobicContact CB-CG1 4.08Å; Q178-I206 WeakPolarHBondContact O-CG1 3.46Å; Q178-I206 PolarHBondContact O-N 3.25Å; Q178-Q207 PolarHBondContact O-N 3.37Å; Q178-E234 PolarHBondContact NE2-OE1 2.89Å
179E97.8Very high96.3Very high62 Ų6251.5 Ų51.529%0.2924%0.244SC..EExtended strand (participates in β ladder)trans-118124.4-178.2-56.9-172.2-169.200110.2T150 H151 L152 Q207T150-E179 PolarHBondContact O-N 3Å; H151-E179 WeakPolarHBondContact CA-O 3.49Å; H151-E179 IonicContact CD2-OE1 3.94Å; H151-E179 IonicContact CD2-OE2 2.7Å; H151-E179 PolarHBondContact CD2-OE2 2.9Å; H151-E179 VanDerWaalsContact NE2-CD 3.27Å; H151-E179 IonicContact NE2-OE1 2.69Å; H151-E179 PolarHBondContact NE2-OE1 3.49Å; H151-E179 IonicContact NE2-OE2 3.64Å; H151-E179 PolarHBondContact NE2-OE2 2.96Å; L152-E179 PolarHBondContact N-O 2.66Å; E179-Q207 WeakPolarHBondContact CA-O 3.47Å; E179-Q207 HydrophobicContact CB-CB 4.43Å; E179-Q207 HydrophobicContact CG-CB 4.08Å
180L98.1Very high96.2Very high3 Ų352.5 Ų52.52%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-130.5120.5177.7175.157.8000110L152 L154 L167 L171 L177 L182 Q207 L208 E209L152-L180 HydrophobicContact CB-CD1 4.16Å; L152-L180 HydrophobicContact CD2-CD1 4.06Å; L152-L180 HydrophobicContact CG-CD1 4.04Å; L152-L180 WeakPolarHBondContact O-CA 3.43Å; L154-L180 HydrophobicContact CD1-CD1 4.2Å; L167-L180 HydrophobicContact CD2-CD2 4.16Å; L171-L180 HydrophobicContact CD1-CD2 3.82Å; L171-L180 HydrophobicContact CD2-CD2 4.23Å; L177-L180 HydrophobicContact CD2-CB 4.09Å; L177-L180 HydrophobicContact CD2-CD1 4.41Å; L177-L180 HydrophobicContact CD2-CD2 4.32Å; L180-L182 HydrophobicContact CD1-CD2 4.33Å; L180-L182 HydrophobicContact CD1-CG 4.13Å; L180-L182 HydrophobicContact CD2-CD1 3.96Å; L180-L182 HydrophobicContact CD2-CG 4.32Å; L180-L182 HydrophobicContact CG-CD1 4.15Å; L180-L182 HydrophobicContact CG-CG 3.99Å; L180-Q207 PolarHBondContact N-O 3.31Å; L180-L208 HydrophobicContact CB-CD1 3.93Å; L180-L208 HydrophobicContact CD2-CD1 3.8Å; L180-L208 HydrophobicContact CG-CD1 3.76Å; L180-L208 WeakPolarHBondContact O-CA 3.3Å; L180-E209 PolarHBondContact O-N 2.91Å
181D97.9Very high96.1Very high21 Ų2152.3 Ų52.311%0.11225%0.248CC..EExtended strand (participates in β ladder)trans-107.4116.4175.8-162.4-24.8000110.9L152 D153 L154 R155 R183 E209L152-D181 PolarHBondContact O-N 3.42Å; D153-D181 HydrophobicContact CB-CB 4.46Å; L154-D181 CarbonylContact C-O 3.38Å; L154-D181 WeakPolarHBondContact CA-O 3.25Å; L154-D181 PolarHBondContact N-O 3.49Å; R155-D181 VanDerWaalsContact CD-CG 3.45Å; R155-D181 WeakPolarHBondContact CD-OD1 3.44Å; R155-D181 WeakPolarHBondContact CD-OD2 3.34Å; R155-D181 HydrophobicContact CG-CB 4.17Å; R155-D181 WeakPolarHBondContact CG-OD1 3.38Å; R155-D181 IonicContact NE-OD2 3.3Å; R155-D181 PolarHBondContact NE-OD2 2.89Å; D181-R183 WeakPolarHBondContact OD1-CB 3.21Å; D181-R183 WeakPolarHBondContact OD1-CG 3.45Å; D181-R183 IonicContact OD1-CZ 2.66Å; D181-R183 PolarHBondContact OD1-N 3.41Å; D181-R183 IonicContact OD1-NE 3.64Å; D181-R183 PolarHBondContact OD1-NE 3.43Å; D181-R183 IonicContact OD2-CZ 3.5Å; D181-R183 IonicContact OD2-NE 3.93Å; D181-R183 PolarHBondContact OD2-NE 3.2Å; D181-R183 IonicContact OD2-NH2 2.7Å; D181-R183 PolarHBondContact OD2-NH2 3.43Å; D181-E209 HydrophobicContact CB-CB 4.39Å
182L97.4Very high96.1Very high0 Ų052.3 Ų52.30%025%0.248CC..  trans-11814.4-179.8-72.4171.8000112L154 I159 L167 L180 N185 I187 L195 L208 E209 M210 N213L154-L182 HydrophobicContact CB-CD2 3.84Å; L154-L182 HydrophobicContact CD1-CD2 4.02Å; I159-L182 HydrophobicContact CD1-CD2 3.75Å; L167-L182 HydrophobicContact CD2-CD1 3.74Å; L167-L182 HydrophobicContact CD2-CD2 3.69Å; L167-L182 HydrophobicContact CD2-CG 4.29Å; L180-L182 HydrophobicContact CD1-CD2 4.33Å; L180-L182 HydrophobicContact CD1-CG 4.13Å; L180-L182 HydrophobicContact CD2-CD1 3.96Å; L180-L182 HydrophobicContact CD2-CG 4.32Å; L180-L182 HydrophobicContact CG-CD1 4.15Å; L180-L182 HydrophobicContact CG-CG 3.99Å; L182-N185 PolarHBondContact O-ND2 3.25Å; L182-I187 HydrophobicContact CB-CD1 3.94Å; L182-I187 HydrophobicContact CD1-CD1 3.94Å; L182-I187 HydrophobicContact CG-CD1 4.38Å; L182-L195 HydrophobicContact CD1-CD1 3.94Å; L182-L208 HydrophobicContact CD1-CD1 4.03Å; L182-E209 CarbonylContact C-O 3.59Å; L182-E209 WeakPolarHBondContact CA-O 3.47Å; L182-E209 PolarHBondContact N-O 2.73Å; L182-M210 HydrophobicContact CB-SD 3.72Å; L182-M210 HydrophobicContact CD1-SD 3.57Å; L182-M210 VanDerWaalsContact CD1-SD 3.57Å; L182-M210 HydrophobicContact CG-SD 4.28Å; L182-N213 PolarHBondContact O-ND2 3.41Å
183R97.1Very high96.1Very high75 Ų7554 Ų5428%0.28325%0.254SS..  trans-57.9148.5-176.1-64174.6-71.3176.9-0.3112.4R155 N156 D181 N185 E209 A211R155-R183 VanDerWaalsContact CA-O 3.22Å; R155-R183 WeakPolarHBondContact CA-O 3.4Å; R155-R183 HydrophobicContact CG-CB 4Å; N156-R183 PolarHBondContact N-O 3.43Å; N156-R183 VanDerWaalsContact N-O 3.1Å; D181-R183 WeakPolarHBondContact OD1-CB 3.21Å; D181-R183 WeakPolarHBondContact OD1-CG 3.45Å; D181-R183 IonicContact OD1-CZ 2.66Å; D181-R183 PolarHBondContact OD1-N 3.41Å; D181-R183 IonicContact OD1-NE 3.64Å; D181-R183 PolarHBondContact OD1-NE 3.43Å; D181-R183 IonicContact OD2-CZ 3.5Å; D181-R183 IonicContact OD2-NE 3.93Å; D181-R183 PolarHBondContact OD2-NE 3.2Å; D181-R183 IonicContact OD2-NH2 2.7Å; D181-R183 PolarHBondContact OD2-NH2 3.43Å; R183-N185 PolarHBondContact O-ND2 2.93Å; R183-E209 HydrophobicContact CG-CB 3.85Å; R183-E209 PolarHBondContact N-O 3.11Å; R183-A211 CarbonylContact C-O 3.5Å; R183-A211 WeakPolarHBondContact CA-O 3.3Å; R183-A211 WeakPolarHBondContact CB-O 3.41Å; R183-A211 HydrophobicContact CG-CB 3.97Å
184W96.4Very high96.2Very high153 Ų15347.1 Ų47.158%0.5823%0.233SC*.SBendtrans58.846.4176.8-46.5107.7000113.6N156 A211N156-W184 VanDerWaalsContact CA-O 3.27Å; N156-W184 WeakPolarHBondContact CA-O 3.43Å; N156-W184 PolarHBondContact N-O 2.94Å; N156-W184 WeakPolarHBondContact OD1-CB 3.35Å; N156-W184 PolarHBondContact OD1-O 2.88Å; W184-A211 PolarHBondContact N-O 2.7Å
185N96.7Very high96.2Very high11 Ų1147 Ų476%0.05923%0.232CC..SBendtrans-115-172.9168.4-74-77.1000110.1L154 N157 Q158 I159 L182 R183 I187 N213L154-N185 PolarHBondContact O-ND2 3.49Å; N157-N185 VanDerWaalsContact C-OD1 3.29Å; N157-N185 WeakPolarHBondContact CA-OD1 3.33Å; N157-N185 PolarHBondContact N-OD1 2.86Å; Q158-N185 PolarHBondContact N-OD1 3.26Å; I159-N185 HydrophobicContact CB-CB 4.04Å; I159-N185 PolarHBondContact N-OD1 2.78Å; L182-N185 PolarHBondContact O-ND2 3.25Å; R183-N185 PolarHBondContact O-ND2 2.93Å; N185-I187 HydrophobicContact CB-CG1 4.21Å; N185-N213 WeakPolarHBondContact CA-OD1 3.4Å; N185-N213 WeakPolarHBondContact CB-OD1 3.48Å; N185-N213 PolarHBondContact N-OD1 2.96Å; N185-N213 WeakPolarHBondContact O-CA 3.47Å; N185-N213 PolarHBondContact O-OD1 3.39Å
186N94.1Very high96.3Very high103 Ų10344 Ų4455%0.55121%0.209SC*.BIsolated β-bridgetrans-116.944.9-179.1-164.238.7000111.7I159 N160 G188I159-N186 CarbonylContact O-C 3.57Å; I159-N186 WeakPolarHBondContact O-CA 3.3Å; I159-N186 PolarHBondContact O-N 2.92Å; N160-N186 WeakPolarHBondContact CA-O 3.45Å; N186-G188 PolarHBondContact O-N 2.7Å
187I96.1Very high96.3Very high0 Ų047.3 Ų47.30%022%0.222CC..  trans-64.1-40.6-173.3-68174.3000112.2I159 H161 A164 L182 N185 G191 L195 M210 N213 I215I159-I187 HydrophobicContact CG2-CG1 4.45Å; I159-I187 PolarHBondContact O-N 3.44Å; H161-I187 VanDerWaalsContact CA-O 3.29Å; H161-I187 WeakPolarHBondContact CA-O 3.48Å; H161-I187 WeakPolarHBondContact CB-O 3.32Å; A164-I187 HydrophobicContact CB-CB 4.28Å; A164-I187 HydrophobicContact CB-CG1 4.01Å; A164-I187 HydrophobicContact CB-CG2 3.65Å; L182-I187 HydrophobicContact CB-CD1 3.94Å; L182-I187 HydrophobicContact CD1-CD1 3.94Å; L182-I187 HydrophobicContact CG-CD1 4.38Å; N185-I187 HydrophobicContact CB-CG1 4.21Å; I187-G191 VanDerWaalsContact CG2-C 3.47Å; I187-G191 PolarHBondContact O-N 3.32Å; I187-L195 HydrophobicContact CD1-CD1 4.2Å; I187-L195 HydrophobicContact CG2-CD1 4.28Å; I187-M210 HydrophobicContact CD1-CE 4.19Å; I187-M210 HydrophobicContact CD1-SD 3.72Å; I187-M210 HydrophobicContact CG2-CE 4.5Å; I187-N213 HydrophobicContact CB-CB 4.12Å; I187-N213 HydrophobicContact CD1-CB 4.49Å; I187-N213 WeakPolarHBondContact CD1-OD1 3.47Å; I187-N213 VanDerWaalsContact CG1-OD1 3.26Å; I187-N213 WeakPolarHBondContact CG1-OD1 3.27Å; I187-I215 HydrophobicContact CB-CD1 4.25Å; I187-I215 HydrophobicContact CG2-CD1 3.89Å; I187-I215 HydrophobicContact CG2-CG1 4.39Å
188G94.8Very high96.2Very high14 Ų1447.3 Ų47.314%0.14422%0.223CC..Hα-helixtrans63.3-175.8179.500000114.9N186 L190 G192 N213N186-G188 PolarHBondContact O-N 2.7Å; G188-L190 PolarHBondContact O-N 2.86Å; G188-G192 PolarHBondContact O-N 2.82Å; G188-N213 PolarHBondContact N-O 2.9Å
189L95.2Very high96.1Very high72 Ų7245 Ų4538%0.37721%0.212SC..Hα-helixtrans-57.7-48.8-177.916956.7000113.1G192 R193 P216 I219L189-G192 PolarHBondContact O-N 2.62Å; L189-R193 HydrophobicContact CD1-CG 4.24Å; L189-R193 PolarHBondContact O-N 2.9Å; L189-P216 HydrophobicContact CB-CG 4.47Å; L189-P216 HydrophobicContact CD1-CG 4Å; L189-I219 HydrophobicContact CD1-CD1 3.2Å
190L95Very high95.8Very high107 Ų10748.6 Ų48.656%0.5623%0.228SC*.Hα-helixtrans-63.8-48.4-175.7-67.6174.3000111.5H161 G188 G192 R193 S194H161-L190 HydrophobicContact CB-CB 4.24Å; G188-L190 PolarHBondContact O-N 2.86Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 2.89Å; L190-R193 PolarHBondContact O-N 3.1Å; L190-S194 PolarHBondContact O-N 2.89Å; L190-S194 PolarHBondContact O-OG 3.17Å
191G94.9Very high95.6Very high0 Ų053.3 Ų53.30%025%0.249CC..Hα-helixtrans-64.4-35.9177.700000112.8I187 R193 S194 L195I187-G191 VanDerWaalsContact CG2-C 3.47Å; I187-G191 PolarHBondContact O-N 3.32Å; G191-R193 VanDerWaalsContact C-N 3.34Å; G191-R193 PolarHBondContact O-N 3.43Å; G191-S194 PolarHBondContact O-N 2.84Å; G191-L195 WeakPolarHBondContact O-CG 3.46Å; G191-L195 PolarHBondContact O-N 3.31Å
192G95.7Very high95.4Very high0 Ų052.5 Ų52.50%025%0.245CC..Hα-helixtrans-61.5-39.3173.400000113G188 L189 L190 L196G188-G192 PolarHBondContact O-N 2.82Å; L189-G192 PolarHBondContact O-N 2.62Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 2.89Å; G192-L196 WeakPolarHBondContact O-CB 3.46Å; G192-L196 PolarHBondContact O-N 3.04Å
193R96.2Very high95.2Very high153 Ų15359.2 Ų59.258%0.57727%0.274SS*.Hα-helixtrans-66.6-43.4174.1-72.3-175.4174.6-176.3-1.5112.1L189 L190 G191 L195 L196 E197 I219L189-R193 HydrophobicContact CD1-CG 4.24Å; L189-R193 PolarHBondContact O-N 2.9Å; L190-R193 PolarHBondContact O-N 3.1Å; G191-R193 VanDerWaalsContact C-N 3.34Å; G191-R193 PolarHBondContact O-N 3.43Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.87Å; R193-L196 WeakPolarHBondContact O-CB 3.37Å; R193-L196 PolarHBondContact O-N 2.8Å; R193-E197 PolarHBondContact O-N 2.85Å; R193-I219 HydrophobicContact CG-CD1 3.67Å
194S96.8Very high95.1Very high33 Ų3356.4 Ų56.423%0.23127%0.266CS..Hα-helixtrans-58.4-46.4176.8-57.50000111.4S165 A168 L190 G191 L196 E197 A198S165-S194 PolarHBondContact OG-OG 3.07Å; A168-S194 WeakPolarHBondContact CB-O 3.45Å; L190-S194 PolarHBondContact O-N 2.89Å; L190-S194 PolarHBondContact O-OG 3.17Å; G191-S194 PolarHBondContact O-N 2.84Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 3.49Å; S194-E197 PolarHBondContact O-N 3.45Å; S194-A198 PolarHBondContact O-N 3.33Å
195L96.5Very high95.1Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-63.5-37.9177.1-72.8167.1000112.3A164 L167 A168 L171 L182 I187 G191 R193 A198 L199 M210 L223A164-L195 HydrophobicContact CB-CD1 4.23Å; L167-L195 HydrophobicContact CD2-CD2 4.48Å; L167-L195 HydrophobicContact CG-CD2 4.48Å; A168-L195 HydrophobicContact CB-CD2 4.11Å; A168-L195 HydrophobicContact CB-CG 4.45Å; L171-L195 HydrophobicContact CD1-CD2 3.84Å; L182-L195 HydrophobicContact CD1-CD1 3.94Å; I187-L195 HydrophobicContact CD1-CD1 4.2Å; I187-L195 HydrophobicContact CG2-CD1 4.28Å; G191-L195 WeakPolarHBondContact O-CG 3.46Å; G191-L195 PolarHBondContact O-N 3.31Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.87Å; L195-A198 PolarHBondContact O-N 2.76Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.1Å; L195-M210 HydrophobicContact CB-CE 4.45Å; L195-M210 HydrophobicContact CD1-CE 3.3Å; L195-M210 HydrophobicContact CD1-SD 3.89Å; L195-M210 HydrophobicContact CG-CE 4.5Å; L195-L223 HydrophobicContact CB-CD2 4.39Å
196L95.6Very high95.1Very high30 Ų3050.3 Ų50.316%0.15724%0.244CC..Hα-helixtrans-63.4-45.3175.9-178.563.5000111.7G192 R193 S194 A198 L199 Q200 A222 L223G192-L196 WeakPolarHBondContact O-CB 3.46Å; G192-L196 PolarHBondContact O-N 3.04Å; R193-L196 WeakPolarHBondContact O-CB 3.37Å; R193-L196 PolarHBondContact O-N 2.8Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 3.49Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 2.97Å; L196-L199 PolarHBondContact O-N 3.37Å; L196-Q200 PolarHBondContact O-N 2.83Å; L196-A222 HydrophobicContact CD1-CB 3.85Å; L196-A222 HydrophobicContact CD2-CB 3.83Å; L196-L223 VanDerWaalsContact CA-CD2 3.48Å; L196-L223 HydrophobicContact CB-CD2 3.77Å; L196-L223 HydrophobicContact CB-CG 4.32Å; L196-L223 HydrophobicContact CD1-CD2 3.89Å; L196-L223 HydrophobicContact CD1-CG 4.14Å; L196-L223 HydrophobicContact CG-CD2 4.45Å
197E95.4Very high95.1Very high101 Ų10149.3 Ų49.347%0.47224%0.236SC..Hα-helixtrans-63.5-37.4176.3-159.9-154.1138.700111.7R193 S194 Q200 K201R193-E197 PolarHBondContact O-N 2.85Å; S194-E197 PolarHBondContact O-N 3.45Å; E197-Q200 PolarHBondContact O-N 3.11Å; E197-K201 IonicContact OE1-NZ 2.8Å; E197-K201 PolarHBondContact OE1-NZ 3.37Å
198A95.9Very high95.2Very high1 Ų150.3 Ų50.31%0.00824%0.241CC..Hα-helixtrans-63.4-44175.300000112.3A168 L171 R172 S194 L195 L196 Q200 K201 N202A168-A198 HydrophobicContact CB-CB 3.75Å; A168-A198 WeakPolarHBondContact O-CB 3.23Å; L171-A198 HydrophobicContact CB-CB 4.46Å; R172-A198 HydrophobicContact CG-CB 3.8Å; S194-A198 PolarHBondContact O-N 3.33Å; L195-A198 PolarHBondContact O-N 2.76Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 2.97Å; A198-Q200 VanDerWaalsContact C-N 3.26Å; A198-Q200 PolarHBondContact O-N 3.23Å; A198-K201 PolarHBondContact O-N 3.4Å; A198-N202 WeakPolarHBondContact O-CB 3.3Å; A198-N202 PolarHBondContact O-N 2.91Å
199L94.6Very high95.2Very high5 Ų552.9 Ų52.93%0.02625%0.249CC..Hα-helixtrans-67.4-21.5178.3-73.9-174.3000114.1L195 L196 K201 V205 L208 L223 T227L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.1Å; L196-L199 PolarHBondContact O-N 3.37Å; L199-K201 PolarHBondContact O-N 3.27Å; L199-V205 HydrophobicContact CD2-CB 3.74Å; L199-V205 HydrophobicContact CD2-CG1 4.04Å; L199-V205 HydrophobicContact CD2-CG2 4.24Å; L199-L208 HydrophobicContact CD1-CD2 3.73Å; L199-L223 HydrophobicContact CD1-CD2 3.7Å; L199-T227 HydrophobicContact CD1-CG2 3.82Å
200Q91.9Very high95.1Very high138 Ų13849.9 Ų49.965%0.64523%0.234SC*.Hα-helixtrans-65.1-29170.1-68.7176.62.400112.1L196 E197 A198L196-Q200 PolarHBondContact O-N 2.83Å; E197-Q200 PolarHBondContact O-N 3.11Å; A198-Q200 VanDerWaalsContact C-N 3.26Å; A198-Q200 PolarHBondContact O-N 3.23Å
201K92.8Very high95.1Very high102 Ų10247.2 Ų47.244%0.44323%0.227SC..Hα-helixtrans-97.3-38.6179.8-67.3168-178.4155.30111.7R172 E197 A198 L199R172-K201 HydrophobicContact CG-CB 4.43Å; R172-K201 HydrophobicContact CG-CD 4.37Å; R172-K201 VanDerWaalsContact NE-CD 3.26Å; E197-K201 IonicContact OE1-NZ 2.8Å; E197-K201 PolarHBondContact OE1-NZ 3.37Å; A198-K201 PolarHBondContact O-N 3.4Å; L199-K201 PolarHBondContact O-N 3.27Å
202N94.5Very high94.9Very high4 Ų449.3 Ų49.32%0.02125%0.248CC..  trans-76130.3177.5179.5-67.8000110.7L171 N174 A198 S204 V205 N230L171-N202 WeakPolarHBondContact O-CB 3.35Å; L171-N202 PolarHBondContact O-ND2 3.12Å; N174-N202 PolarHBondContact O-ND2 2.9Å; A198-N202 WeakPolarHBondContact O-CB 3.3Å; A198-N202 PolarHBondContact O-N 2.91Å; N202-S204 PolarHBondContact ND2-OG 3.37Å; N202-S204 VanDerWaalsContact ND2-OG 3.09Å; N202-S204 PolarHBondContact OD1-N 3.27Å; N202-S204 PolarHBondContact OD1-OG 3.44Å; N202-S204 VanDerWaalsContact OD1-OG 3.1Å; N202-V205 PolarHBondContact OD1-N 3.48Å; N202-N230 PolarHBondContact O-ND2 3.08Å; N202-N230 VanDerWaalsContact O-ND2 3.1Å
203K92.6Very high94.9Very high142 Ų14249.4 Ų49.462%0.61725%0.249SC*.  trans-112.5-1-173.9-74.2-170.9176.31780113.9R233K203-R233 VanDerWaalsContact CD-NH1 3.25Å; K203-R233 PolarHBondContact O-NH2 3.24Å
204S95.1Very high94.8Very high16 Ų1648.6 Ų48.611%0.11226%0.256CS..SBendtrans-100.4-34.1-170.867.30000113S175 L177 Q178 N202 I206S175-S204 WeakPolarHBondContact O-CB 3.35Å; L177-S204 CarbonylContact O-C 3.13Å; L177-S204 VanDerWaalsContact O-CB 3.32Å; L177-S204 WeakPolarHBondContact O-CB 3.46Å; L177-S204 PolarHBondContact O-OG 3.29Å; Q178-S204 WeakPolarHBondContact CA-O 3.46Å; N202-S204 PolarHBondContact ND2-OG 3.37Å; N202-S204 VanDerWaalsContact ND2-OG 3.09Å; N202-S204 PolarHBondContact OD1-N 3.27Å; N202-S204 PolarHBondContact OD1-OG 3.44Å; N202-S204 VanDerWaalsContact OD1-OG 3.1Å; S204-I206 PolarHBondContact O-N 2.9Å
205V96.7Very high94.6Very high0 Ų047.9 Ų47.90%025%0.249CC..  trans-73.5116.6-178.6179.50000109.4L171 L177 Q178 L199 N202 L208 T227 N230L171-V205 HydrophobicContact CD2-CG2 4.14Å; L177-V205 WeakPolarHBondContact O-CA 3.19Å; L177-V205 WeakPolarHBondContact O-CG2 3.42Å; L177-V205 PolarHBondContact O-N 2.8Å; Q178-V205 WeakPolarHBondContact O-CA 3.42Å; L199-V205 HydrophobicContact CD2-CB 3.74Å; L199-V205 HydrophobicContact CD2-CG1 4.04Å; L199-V205 HydrophobicContact CD2-CG2 4.24Å; N202-V205 PolarHBondContact OD1-N 3.48Å; V205-L208 HydrophobicContact CG1-CB 4.29Å; V205-T227 HydrophobicContact CG1-CG2 4.43Å; V205-N230 VanDerWaalsContact O-CB 3.24Å; V205-N230 WeakPolarHBondContact O-CB 3.47Å; V205-N230 PolarHBondContact O-ND2 3.32Å
206I96Very high94.5Very high35 Ų3550.4 Ų50.418%0.17927%0.266CS..  trans-108.1-23-179.262.1179.1000112.4Q178 S204 N230 E234Q178-I206 HydrophobicContact CB-CD1 4.15Å; Q178-I206 HydrophobicContact CB-CG1 4.08Å; Q178-I206 WeakPolarHBondContact O-CG1 3.46Å; Q178-I206 PolarHBondContact O-N 3.25Å; S204-I206 PolarHBondContact O-N 2.9Å; I206-N230 HydrophobicContact CG2-CB 4.38Å; I206-E234 VanDerWaalsContact CD1-OE2 3.23Å; I206-E234 WeakPolarHBondContact CD1-OE2 3.38Å; I206-E234 HydrophobicContact CG2-CB 4.36Å; I206-E234 WeakPolarHBondContact CG2-OE2 3.44Å
207Q95.9Very high94.4Very high82 Ų8252.4 Ų52.438%0.38328%0.282SS..EExtended strand (participates in β ladder)trans-133123.1176.6-171172.1-8.300109.7Q178 E179 L180 E209Q178-Q207 PolarHBondContact O-N 3.37Å; E179-Q207 WeakPolarHBondContact CA-O 3.47Å; E179-Q207 HydrophobicContact CB-CB 4.43Å; E179-Q207 HydrophobicContact CG-CB 4.08Å; L180-Q207 PolarHBondContact N-O 3.31Å; Q207-E209 HydrophobicContact CG-CG 4.49Å; Q207-E209 PolarHBondContact NE2-OE1 3.49Å
208L96.6Very high94.3Very high21 Ų2153 Ų5311%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-132.6111.8177.2178.261.4000109.1L180 L182 L199 V205 M210 L223 T227L180-L208 HydrophobicContact CB-CD1 3.93Å; L180-L208 HydrophobicContact CD2-CD1 3.8Å; L180-L208 HydrophobicContact CG-CD1 3.76Å; L180-L208 WeakPolarHBondContact O-CA 3.3Å; L182-L208 HydrophobicContact CD1-CD1 4.03Å; L199-L208 HydrophobicContact CD1-CD2 3.73Å; V205-L208 HydrophobicContact CG1-CB 4.29Å; L208-M210 HydrophobicContact CD1-CG 4.04Å; L208-M210 HydrophobicContact CD1-SD 4.24Å; L208-M210 HydrophobicContact CD2-CG 4.03Å; L208-M210 HydrophobicContact CD2-SD 4.44Å; L208-M210 HydrophobicContact CG-CG 3.66Å; L208-M210 HydrophobicContact CG-SD 4.36Å; L208-L223 HydrophobicContact CD2-CD2 4.15Å; L208-T227 HydrophobicContact CB-CG2 3.77Å
209E95.9Very high94.2Very high68 Ų6853.8 Ų53.832%0.31829%0.293SS..EExtended strand (participates in β ladder)trans-100.3119.9-179.7-68.5-68.8167.600110.5L180 D181 L182 R183 Q207L180-E209 PolarHBondContact O-N 2.91Å; D181-E209 HydrophobicContact CB-CB 4.39Å; L182-E209 CarbonylContact C-O 3.59Å; L182-E209 WeakPolarHBondContact CA-O 3.47Å; L182-E209 PolarHBondContact N-O 2.73Å; R183-E209 HydrophobicContact CG-CB 3.85Å; R183-E209 PolarHBondContact N-O 3.11Å; Q207-E209 HydrophobicContact CG-CG 4.49Å; Q207-E209 PolarHBondContact NE2-OE1 3.49Å
210M93.4Very high94.2Very high10 Ų1055.8 Ų55.85%0.04930%0.303CS..  trans-130.810.5-169-69.2-89.2-8600113.5L182 I187 L195 L208 N213 I215 L220 L223L182-M210 HydrophobicContact CB-SD 3.72Å; L182-M210 HydrophobicContact CD1-SD 3.57Å; L182-M210 VanDerWaalsContact CD1-SD 3.57Å; L182-M210 HydrophobicContact CG-SD 4.28Å; I187-M210 HydrophobicContact CD1-CE 4.19Å; I187-M210 HydrophobicContact CD1-SD 3.72Å; I187-M210 HydrophobicContact CG2-CE 4.5Å; L195-M210 HydrophobicContact CB-CE 4.45Å; L195-M210 HydrophobicContact CD1-CE 3.3Å; L195-M210 HydrophobicContact CD1-SD 3.89Å; L195-M210 HydrophobicContact CG-CE 4.5Å; L208-M210 HydrophobicContact CD1-CG 4.04Å; L208-M210 HydrophobicContact CD1-SD 4.24Å; L208-M210 HydrophobicContact CD2-CG 4.03Å; L208-M210 HydrophobicContact CD2-SD 4.44Å; L208-M210 HydrophobicContact CG-CG 3.66Å; L208-M210 HydrophobicContact CG-SD 4.36Å; M210-N213 WeakPolarHBondContact O-CB 3.37Å; M210-N213 PolarHBondContact O-ND2 2.86Å; M210-I215 HydrophobicContact CB-CD1 4.43Å; M210-I215 HydrophobicContact CE-CD1 3.27Å; M210-I215 HydrophobicContact SD-CD1 4.29Å; M210-L220 HydrophobicContact CB-CD2 3.81Å; M210-L223 HydrophobicContact CE-CD1 3.76Å
211A93.3Very high94.3Very high51 Ų5155 Ų5542%0.42130%0.298SS..THydrogen-bonded Turntrans-56.9141.4178.200000112.6R183 W184 N213R183-A211 CarbonylContact C-O 3.5Å; R183-A211 WeakPolarHBondContact CA-O 3.3Å; R183-A211 WeakPolarHBondContact CB-O 3.41Å; R183-A211 HydrophobicContact CG-CB 3.97Å; W184-A211 PolarHBondContact N-O 2.7Å; A211-N213 PolarHBondContact O-ND2 3.38Å
212G92.4Very high94.4Very high43 Ų4351.4 Ų51.444%0.44329%0.287SS..THydrogen-bonded Turntrans77.924.2177.500000115.5
213N94.8Very high94.4Very high2 Ų251.5 Ų51.51%0.01129%0.287CS..SBendtrans-108.57-177.5-83.3-73.9000116.3L182 N185 I187 G188 M210 A211 I215L182-N213 PolarHBondContact O-ND2 3.41Å; N185-N213 WeakPolarHBondContact CA-OD1 3.4Å; N185-N213 WeakPolarHBondContact CB-OD1 3.48Å; N185-N213 PolarHBondContact N-OD1 2.96Å; N185-N213 WeakPolarHBondContact O-CA 3.47Å; N185-N213 PolarHBondContact O-OD1 3.39Å; I187-N213 HydrophobicContact CB-CB 4.12Å; I187-N213 HydrophobicContact CD1-CB 4.49Å; I187-N213 WeakPolarHBondContact CD1-OD1 3.47Å; I187-N213 VanDerWaalsContact CG1-OD1 3.26Å; I187-N213 WeakPolarHBondContact CG1-OD1 3.27Å; G188-N213 PolarHBondContact N-O 2.9Å; M210-N213 WeakPolarHBondContact O-CB 3.37Å; M210-N213 PolarHBondContact O-ND2 2.86Å; A211-N213 PolarHBondContact O-ND2 3.38Å; N213-I215 VanDerWaalsContact C-N 3.27Å; N213-I215 HydrophobicContact CB-CD1 3.68Å; N213-I215 HydrophobicContact CB-CG1 3.75Å; N213-I215 PolarHBondContact O-N 3.46Å
214N93.3Very high94.5Very high137 Ų13750.7 Ų50.773%0.73329%0.286SS*.  trans5440.3-174.2-163.632.7000113.6
215I94.2Very high94.4Very high17 Ų1756 Ų569%0.08731%0.309CS..  trans-97.7133.5177.6-56.9174.7000108.4I187 M210 N213 I219 L220I187-I215 HydrophobicContact CB-CD1 4.25Å; I187-I215 HydrophobicContact CG2-CD1 3.89Å; I187-I215 HydrophobicContact CG2-CG1 4.39Å; M210-I215 HydrophobicContact CB-CD1 4.43Å; M210-I215 HydrophobicContact CE-CD1 3.27Å; M210-I215 HydrophobicContact SD-CD1 4.29Å; N213-I215 VanDerWaalsContact C-N 3.27Å; N213-I215 HydrophobicContact CB-CD1 3.68Å; N213-I215 HydrophobicContact CB-CG1 3.75Å; N213-I215 PolarHBondContact O-N 3.46Å; I215-I219 HydrophobicContact CG2-CB 3.85Å; I215-I219 HydrophobicContact CG2-CG2 3.77Å; I215-L220 HydrophobicContact CB-CD2 4.09Å; I215-L220 HydrophobicContact CB-CG 4.17Å; I215-L220 HydrophobicContact CD1-CD2 4.33Å; I215-L220 HydrophobicContact CG2-CD2 4.11Å; I215-L220 HydrophobicContact CG2-CG 4.04Å
216P93.9Very high94.3Very high54 Ų5457.2 Ų57.235%0.35132%0.317SS..  trans-58.1145.1175.6-29.139000113.2L189 D218 I219 L220L189-P216 HydrophobicContact CB-CG 4.47Å; L189-P216 HydrophobicContact CD1-CG 4Å; P216-D218 PolarHBondContact O-N 2.85Å; P216-D218 VanDerWaalsContact O-N 3.12Å; P216-I219 PolarHBondContact O-N 2.92Å; P216-I219 VanDerWaalsContact O-N 3.11Å; P216-L220 PolarHBondContact O-N 2.87Å
217S92.8Very high94.3Very high71 Ų7156.2 Ų56.250%0.49731%0.313SS..Hα-helixtrans-55.8-32.8-176.3540000114I219 L220 K221S217-I219 VanDerWaalsContact C-N 3.33Å; S217-I219 PolarHBondContact O-N 3.19Å; S217-L220 PolarHBondContact O-N 2.97Å; S217-K221 WeakPolarHBondContact O-CG 3.42Å; S217-K221 PolarHBondContact O-N 2.65Å
218D93.8Very high94.2Very high115 Ų11554 Ų5462%0.61531%0.312SS*.Hα-helixtrans-69-36.1-176.5-56.8-22.1000111.3P216 A222P216-D218 PolarHBondContact O-N 2.85Å; P216-D218 VanDerWaalsContact O-N 3.12Å; D218-A222 PolarHBondContact O-N 3.33Å; D218-A222 VanDerWaalsContact O-N 3.1Å
219I94.4Very high94Very high17 Ų1758.8 Ų58.89%0.08733%0.333CS..Hα-helixtrans-72.8-41.3175.7-65.4175.4000110.3L189 R193 I215 P216 S217 K221 A222 L223L189-I219 HydrophobicContact CD1-CD1 3.2Å; R193-I219 HydrophobicContact CG-CD1 3.67Å; I215-I219 HydrophobicContact CG2-CB 3.85Å; I215-I219 HydrophobicContact CG2-CG2 3.77Å; P216-I219 PolarHBondContact O-N 2.92Å; P216-I219 VanDerWaalsContact O-N 3.11Å; S217-I219 VanDerWaalsContact C-N 3.33Å; S217-I219 PolarHBondContact O-N 3.19Å; I219-K221 VanDerWaalsContact C-N 3.33Å; I219-K221 PolarHBondContact O-N 3.41Å; I219-A222 PolarHBondContact O-N 3.42Å; I219-A222 VanDerWaalsContact O-N 3.16Å; I219-L223 HydrophobicContact CG2-CD1 3.95Å; I219-L223 HydrophobicContact CG2-CG 4.27Å; I219-L223 WeakPolarHBondContact O-CG 3.33Å; I219-L223 PolarHBondContact O-N 3.42Å
220L94.2Very high94Very high47 Ų4756 Ų5625%0.24632%0.321CS..Hα-helixtrans-58.1-46.1175.8-69.4174.5000111.2M210 I215 P216 S217 A222 L223 E224M210-L220 HydrophobicContact CB-CD2 3.81Å; I215-L220 HydrophobicContact CB-CD2 4.09Å; I215-L220 HydrophobicContact CB-CG 4.17Å; I215-L220 HydrophobicContact CD1-CD2 4.33Å; I215-L220 HydrophobicContact CG2-CD2 4.11Å; I215-L220 HydrophobicContact CG2-CG 4.04Å; P216-L220 PolarHBondContact O-N 2.87Å; S217-L220 PolarHBondContact O-N 2.97Å; L220-A222 VanDerWaalsContact C-N 3.34Å; L220-A222 PolarHBondContact O-N 2.92Å; L220-L223 WeakPolarHBondContact O-CB 3.1Å; L220-L223 PolarHBondContact O-N 2.95Å; L220-E224 WeakPolarHBondContact O-CG 3.39Å; L220-E224 PolarHBondContact O-N 3.23Å
221K94.1Very high94Very high121 Ų12158.1 Ų58.153%0.52634%0.336SS..Hα-helixtrans-60.1-41.5174.3-72.4174.1-178.3175.40112.7S217 I219 E224 Q225S217-K221 WeakPolarHBondContact O-CG 3.42Å; S217-K221 PolarHBondContact O-N 2.65Å; I219-K221 VanDerWaalsContact C-N 3.33Å; I219-K221 PolarHBondContact O-N 3.41Å; K221-E224 PolarHBondContact O-N 3.25Å; K221-Q225 VanDerWaalsContact O-CG 3.3Å; K221-Q225 WeakPolarHBondContact O-CG 3.3Å; K221-Q225 PolarHBondContact O-N 3.22Å
222A94.8Very high94Very high27 Ų2761.7 Ų61.722%0.22334%0.344CS..Hα-helixtrans-67.2-36.3178.200000112.6L196 D218 I219 L220 S226L196-A222 HydrophobicContact CD1-CB 3.85Å; L196-A222 HydrophobicContact CD2-CB 3.83Å; D218-A222 PolarHBondContact O-N 3.33Å; D218-A222 VanDerWaalsContact O-N 3.1Å; I219-A222 PolarHBondContact O-N 3.42Å; I219-A222 VanDerWaalsContact O-N 3.16Å; L220-A222 VanDerWaalsContact C-N 3.34Å; L220-A222 PolarHBondContact O-N 2.92Å; A222-S226 WeakPolarHBondContact O-CB 3.41Å; A222-S226 PolarHBondContact O-N 3Å; A222-S226 PolarHBondContact O-OG 2.83Å
223L94.6Very high94Very high5 Ų563.6 Ų63.63%0.02634%0.338CS..Hα-helixtrans-65.1-48173-72.4168000110.6L195 L196 L199 L208 M210 I219 L220 Q225 S226 T227L195-L223 HydrophobicContact CB-CD2 4.39Å; L196-L223 VanDerWaalsContact CA-CD2 3.48Å; L196-L223 HydrophobicContact CB-CD2 3.77Å; L196-L223 HydrophobicContact CB-CG 4.32Å; L196-L223 HydrophobicContact CD1-CD2 3.89Å; L196-L223 HydrophobicContact CD1-CG 4.14Å; L196-L223 HydrophobicContact CG-CD2 4.45Å; L199-L223 HydrophobicContact CD1-CD2 3.7Å; L208-L223 HydrophobicContact CD2-CD2 4.15Å; M210-L223 HydrophobicContact CE-CD1 3.76Å; I219-L223 HydrophobicContact CG2-CD1 3.95Å; I219-L223 HydrophobicContact CG2-CG 4.27Å; I219-L223 WeakPolarHBondContact O-CG 3.33Å; I219-L223 PolarHBondContact O-N 3.42Å; L220-L223 WeakPolarHBondContact O-CB 3.1Å; L220-L223 PolarHBondContact O-N 2.95Å; L223-Q225 VanDerWaalsContact C-N 3.33Å; L223-Q225 PolarHBondContact O-N 2.65Å; L223-S226 WeakPolarHBondContact O-CB 3.35Å; L223-S226 PolarHBondContact O-N 2.91Å; L223-S226 VanDerWaalsContact O-N 3.08Å; L223-T227 PolarHBondContact O-N 2.92Å; L223-T227 PolarHBondContact O-OG1 3.43Å
224E93.8Very high93.8Very high125 Ų12566 Ų6658%0.58435%0.349SS*.Hα-helixtrans-59-40.5176.2-74.9170.7-170.700112.5L220 K221 S226 T227 G228L220-E224 WeakPolarHBondContact O-CG 3.39Å; L220-E224 PolarHBondContact O-N 3.23Å; K221-E224 PolarHBondContact O-N 3.25Å; E224-S226 VanDerWaalsContact C-N 3.34Å; E224-T227 WeakPolarHBondContact CA-OG1 3.35Å; E224-T227 PolarHBondContact O-OG1 3.4Å; E224-T227 VanDerWaalsContact O-OG1 3.06Å; E224-G228 PolarHBondContact O-N 3.44Å
225Q94.3Very high93.7Very high128 Ų12866.1 Ų66.160%0.59834%0.344SS*.Hα-helixtrans-64.4-41173.9-75.4175.25.900111.6K221 L223 G228 H229K221-Q225 VanDerWaalsContact O-CG 3.3Å; K221-Q225 WeakPolarHBondContact O-CG 3.3Å; K221-Q225 PolarHBondContact O-N 3.22Å; L223-Q225 VanDerWaalsContact C-N 3.33Å; L223-Q225 PolarHBondContact O-N 2.65Å; Q225-G228 PolarHBondContact O-N 2.66Å; Q225-H229 VanDerWaalsContact O-CG 3.29Å; Q225-H229 PolarHBondContact O-N 3.41Å; Q225-H229 PolarHBondContact O-ND1 2.97Å
226S94.7Very high93.6Very high25 Ų2569 Ų6918%0.17536%0.362CS..Hα-helixtrans-67.3-43.4-179.5-60.70000111.9A222 L223 E224 H229 N230A222-S226 WeakPolarHBondContact O-CB 3.41Å; A222-S226 PolarHBondContact O-N 3Å; A222-S226 PolarHBondContact O-OG 2.83Å; L223-S226 WeakPolarHBondContact O-CB 3.35Å; L223-S226 PolarHBondContact O-N 2.91Å; L223-S226 VanDerWaalsContact O-N 3.08Å; E224-S226 VanDerWaalsContact C-N 3.34Å; S226-H229 PolarHBondContact O-N 2.96Å; S226-N230 PolarHBondContact O-N 3.26Å; S226-N230 VanDerWaalsContact O-N 3.11Å
227T94.6Very high93.4Very high14 Ų1470.7 Ų70.79%0.08637%0.368CS..Hα-helixtrans-68.2-36.8173.553.60000112.1L199 V205 L208 L223 E224 N230 S231L199-T227 HydrophobicContact CD1-CG2 3.82Å; V205-T227 HydrophobicContact CG1-CG2 4.43Å; L208-T227 HydrophobicContact CB-CG2 3.77Å; L223-T227 PolarHBondContact O-N 2.92Å; L223-T227 PolarHBondContact O-OG1 3.43Å; E224-T227 WeakPolarHBondContact CA-OG1 3.35Å; E224-T227 PolarHBondContact O-OG1 3.4Å; E224-T227 VanDerWaalsContact O-OG1 3.06Å; T227-N230 PolarHBondContact O-N 3.12Å; T227-S231 WeakPolarHBondContact O-CB 3.43Å; T227-S231 PolarHBondContact O-N 2.83Å
228G93.6Very high93.4Very high35 Ų3575 Ų7536%0.36137%0.373SS..Hα-helixtrans-57.6-48.1171.900000112.7E224 Q225 N230 S231 E232E224-G228 PolarHBondContact O-N 3.44Å; Q225-G228 PolarHBondContact O-N 2.66Å; G228-N230 VanDerWaalsContact C-N 3.32Å; G228-N230 PolarHBondContact O-N 2.8Å; G228-S231 PolarHBondContact O-N 2.9Å; G228-E232 PolarHBondContact O-N 3.01Å
229H93.8Very high93.3Very high122 Ų12273.3 Ų73.357%0.56536%0.362SS*.Hα-helixtrans-61.8-38.4174.3-68.1151.6000112.7Q225 S226 R233Q225-H229 VanDerWaalsContact O-CG 3.29Å; Q225-H229 PolarHBondContact O-N 3.41Å; Q225-H229 PolarHBondContact O-ND1 2.97Å; S226-H229 PolarHBondContact O-N 2.96Å; H229-R233 WeakPolarHBondContact O-CB 3.46Å; H229-R233 PolarHBondContact O-N 2.79Å
230N94.4Very high93.1Very high10 Ų1075.6 Ų75.65%0.05338%0.379CS..Hα-helixtrans-65.2-43.1175.5-78.1-13.6000111.5N202 V205 I206 S226 T227 G228 R233 E234N202-N230 PolarHBondContact O-ND2 3.08Å; N202-N230 VanDerWaalsContact O-ND2 3.1Å; V205-N230 VanDerWaalsContact O-CB 3.24Å; V205-N230 WeakPolarHBondContact O-CB 3.47Å; V205-N230 PolarHBondContact O-ND2 3.32Å; I206-N230 HydrophobicContact CG2-CB 4.38Å; S226-N230 PolarHBondContact O-N 3.26Å; S226-N230 VanDerWaalsContact O-N 3.11Å; T227-N230 PolarHBondContact O-N 3.12Å; G228-N230 VanDerWaalsContact C-N 3.32Å; G228-N230 PolarHBondContact O-N 2.8Å; N230-R233 PolarHBondContact O-N 3.21Å; N230-R233 PolarHBondContact OD1-NH2 3.07Å; N230-E234 PolarHBondContact O-N 2.9Å
231S94Very high93Very high54 Ų5481.7 Ų81.738%0.37840%0.399SS..Hα-helixtrans-62.1-47.4176.8-173.60000112T227 G228 R233 E234 F235T227-S231 WeakPolarHBondContact O-CB 3.43Å; T227-S231 PolarHBondContact O-N 2.83Å; G228-S231 PolarHBondContact O-N 2.9Å; S231-R233 VanDerWaalsContact C-N 3.33Å; S231-R233 PolarHBondContact O-N 2.91Å; S231-E234 PolarHBondContact O-N 2.87Å; S231-F235 WeakPolarHBondContact O-CB 3.45Å; S231-F235 PolarHBondContact O-N 2.89Å
232E93.3Very high92.9Very high126 Ų12680.5 Ų80.559%0.58940%0.398SS*.Hα-helixtrans-62.1-40.6176.9-175177.6-164.900111.8G228 F235 T236G228-E232 PolarHBondContact O-N 3.01Å; E232-F235 PolarHBondContact O-N 2.94Å; E232-T236 WeakPolarHBondContact O-CB 3.43Å; E232-T236 PolarHBondContact O-N 3.13Å; E232-T236 PolarHBondContact O-OG1 2.97Å
233R91.7Very high92.9Very high84 Ų8484.8 Ų84.832%0.31741%0.411SS..Hα-helixtrans-65.4-43.5175.4-171.7178.963.2-137.8-22.3111.7K203 H229 N230 S231 F235 T236 L237K203-R233 VanDerWaalsContact CD-NH1 3.25Å; K203-R233 PolarHBondContact O-NH2 3.24Å; H229-R233 WeakPolarHBondContact O-CB 3.46Å; H229-R233 PolarHBondContact O-N 2.79Å; N230-R233 PolarHBondContact O-N 3.21Å; N230-R233 PolarHBondContact OD1-NH2 3.07Å; S231-R233 VanDerWaalsContact C-N 3.33Å; S231-R233 PolarHBondContact O-N 2.91Å; R233-F235 VanDerWaalsContact C-N 3.34Å; R233-T236 PolarHBondContact O-N 2.79Å; R233-L237 HydrophobicContact CG-CD1 4.05Å; R233-L237 HydrophobicContact CG-CG 4.38Å; R233-L237 WeakPolarHBondContact O-CB 3.47Å; R233-L237 VanDerWaalsContact O-CG 3.26Å; R233-L237 WeakPolarHBondContact O-CG 3.24Å; R233-L237 PolarHBondContact O-N 3.24Å
234E91.1Very high92.7Very high51 Ų5188 Ų8824%0.23843%0.431CS..Hα-helixtrans-61.2-45.5176.2-169.3-168.7-173.600110.7Q178 I206 N230 S231 T236 L237 R238Q178-E234 PolarHBondContact NE2-OE1 2.89Å; I206-E234 VanDerWaalsContact CD1-OE2 3.23Å; I206-E234 WeakPolarHBondContact CD1-OE2 3.38Å; I206-E234 HydrophobicContact CG2-CB 4.36Å; I206-E234 WeakPolarHBondContact CG2-OE2 3.44Å; N230-E234 PolarHBondContact O-N 2.9Å; S231-E234 PolarHBondContact O-N 2.87Å; E234-T236 PolarHBondContact O-N 3.46Å; E234-L237 PolarHBondContact O-N 2.73Å; E234-R238 VanDerWaalsContact O-CB 3.3Å; E234-R238 WeakPolarHBondContact O-CB 3.34Å; E234-R238 PolarHBondContact O-N 3.19Å
235F91.3Very high92.7Very high141 Ų14187.8 Ų87.862%0.61843%0.43SS*.Hα-helixtrans-55.3-50.8175.9179.3-93.7000111.4S231 E232 R233 L237 R238 E239S231-F235 WeakPolarHBondContact O-CB 3.45Å; S231-F235 PolarHBondContact O-N 2.89Å; E232-F235 PolarHBondContact O-N 2.94Å; R233-F235 VanDerWaalsContact C-N 3.34Å; F235-L237 PolarHBondContact O-N 3.41Å; F235-R238 PolarHBondContact O-N 2.94Å; F235-E239 WeakPolarHBondContact O-CB 3.39Å; F235-E239 PolarHBondContact O-N 2.74Å
236T91.8Very high92.8Very high77 Ų7784.8 Ų84.847%0.47242%0.42SS..Hα-helixtrans-61.3-42.4179-55.20000112E232 R233 E234 E239 S240E232-T236 WeakPolarHBondContact O-CB 3.43Å; E232-T236 PolarHBondContact O-N 3.13Å; E232-T236 PolarHBondContact O-OG1 2.97Å; R233-T236 PolarHBondContact O-N 2.79Å; E234-T236 PolarHBondContact O-N 3.46Å; T236-E239 PolarHBondContact O-N 2.79Å; T236-S240 WeakPolarHBondContact O-CB 3.34Å; T236-S240 PolarHBondContact O-N 3.35Å
237L91Very high92.7Very high89 Ų8988.2 Ų88.247%0.46644%0.437SS..Hα-helixtrans-65.3-41.2176.8-74.9171.7000111.9R233 E234 F235 S240 R241R233-L237 HydrophobicContact CG-CD1 4.05Å; R233-L237 HydrophobicContact CG-CG 4.38Å; R233-L237 WeakPolarHBondContact O-CB 3.47Å; R233-L237 VanDerWaalsContact O-CG 3.26Å; R233-L237 WeakPolarHBondContact O-CG 3.24Å; R233-L237 PolarHBondContact O-N 3.24Å; E234-L237 PolarHBondContact O-N 2.73Å; F235-L237 PolarHBondContact O-N 3.41Å; L237-S240 PolarHBondContact O-N 3.08Å; L237-R241 WeakPolarHBondContact O-CB 3.35Å; L237-R241 WeakPolarHBondContact O-CG 3.45Å; L237-R241 PolarHBondContact O-N 3.32Å
238R91.3Very high92.6Very high162 Ų16290.6 Ų90.661%0.61145%0.453SS*.Hα-helixtrans-66-42.6178.8-156.4174.3-167.7166.12.4110.7E234 F235 R241 N242E234-R238 VanDerWaalsContact O-CB 3.3Å; E234-R238 WeakPolarHBondContact O-CB 3.34Å; E234-R238 PolarHBondContact O-N 3.19Å; F235-R238 PolarHBondContact O-N 2.94Å; R238-R241 PolarHBondContact O-N 3.04Å; R238-N242 WeakPolarHBondContact O-CB 3.26Å; R238-N242 PolarHBondContact O-N 3.48Å; R238-N242 PolarHBondContact O-ND2 3.19Å
239E92.6Very high92.7Very high80 Ų8097.3 Ų97.337%0.37447%0.468SS..Hα-helixtrans-62.5-45.8174.5-163.3-167.2170.500111.8F235 T236 R241 N242 K243F235-E239 WeakPolarHBondContact O-CB 3.39Å; F235-E239 PolarHBondContact O-N 2.74Å; T236-E239 PolarHBondContact O-N 2.79Å; E239-R241 PolarHBondContact O-N 3.32Å; E239-N242 PolarHBondContact O-N 3.4Å; E239-K243 VanDerWaalsContact CD-NZ 3.3Å; E239-K243 HydrophobicContact CG-CD 4.49Å; E239-K243 WeakPolarHBondContact O-CG 3.43Å; E239-K243 PolarHBondContact O-N 2.81Å; E239-K243 WeakPolarHBondContact OE1-CE 3.37Å; E239-K243 IonicContact OE1-NZ 3.5Å; E239-K243 PolarHBondContact OE1-NZ 3.09Å; E239-K243 IonicContact OE2-NZ 2.84Å
240S89.5Confident92.8Very high64 Ų6496.5 Ų96.545%0.44846%0.464SS..Hα-helixtrans-61.1-43176.4-179.70000112.7T236 L237 K243 T244T236-S240 WeakPolarHBondContact O-CB 3.34Å; T236-S240 PolarHBondContact O-N 3.35Å; L237-S240 PolarHBondContact O-N 3.08Å; S240-K243 PolarHBondContact O-N 2.94Å; S240-T244 WeakPolarHBondContact O-CB 3.14Å; S240-T244 PolarHBondContact O-N 3.26Å; S240-T244 PolarHBondContact O-OG1 2.72Å
241R92.9Very high92.7Very high176 Ų176101.3 Ų101.366%0.66449%0.489SS*.Hα-helixtrans-61.6-44.8173.6-76.8177.2-179.4173.31.3111.7L237 R238 E239 T244 H245L237-R241 WeakPolarHBondContact O-CB 3.35Å; L237-R241 WeakPolarHBondContact O-CG 3.45Å; L237-R241 PolarHBondContact O-N 3.32Å; R238-R241 PolarHBondContact O-N 3.04Å; E239-R241 PolarHBondContact O-N 3.32Å; R241-T244 WeakPolarHBondContact O-CB 3.12Å; R241-T244 PolarHBondContact O-N 3.26Å; R241-H245 WeakPolarHBondContact O-CB 3.41Å; R241-H245 PolarHBondContact O-N 3.17Å; R241-H245 PolarHBondContact O-ND1 3.28Å
242N92.1Very high92.6Very high96 Ų96103.2 Ų103.251%0.51349%0.492SS..Hα-helixtrans-61.3-47.1177.8-72.3-14.6000111.4R238 E239 T244 H245 V246R238-N242 WeakPolarHBondContact O-CB 3.26Å; R238-N242 PolarHBondContact O-N 3.48Å; R238-N242 PolarHBondContact O-ND2 3.19Å; E239-N242 PolarHBondContact O-N 3.4Å; N242-T244 VanDerWaalsContact C-N 3.33Å; N242-T244 PolarHBondContact O-N 2.94Å; N242-H245 PolarHBondContact O-N 2.8Å; N242-V246 WeakPolarHBondContact O-CG2 3.45Å; N242-V246 PolarHBondContact O-N 3.3Å
243K94Very high92.7Very high116 Ų116100.2 Ų100.250%0.50449%0.485SS..Hα-helixtrans-57.2-45.9174.3-73.2172.9-177.9166.50111.3E239 S240 H245 V246 L247E239-K243 VanDerWaalsContact CD-NZ 3.3Å; E239-K243 HydrophobicContact CG-CD 4.49Å; E239-K243 WeakPolarHBondContact O-CG 3.43Å; E239-K243 PolarHBondContact O-N 2.81Å; E239-K243 WeakPolarHBondContact OE1-CE 3.37Å; E239-K243 IonicContact OE1-NZ 3.5Å; E239-K243 PolarHBondContact OE1-NZ 3.09Å; E239-K243 IonicContact OE2-NZ 2.84Å; S240-K243 PolarHBondContact O-N 2.94Å; K243-H245 PolarHBondContact O-N 3.45Å; K243-V246 PolarHBondContact O-N 2.81Å; K243-L247 WeakPolarHBondContact O-CB 3.21Å; K243-L247 VanDerWaalsContact O-CG 3.31Å; K243-L247 WeakPolarHBondContact O-CG 3.44Å; K243-L247 PolarHBondContact O-N 3.15Å
244T91.6Very high92.8Very high72 Ų72100.8 Ų100.844%0.44249%0.494SS..Hα-helixtrans-61.1-42.4177.1-550000111.8S240 R241 N242 S248S240-T244 WeakPolarHBondContact O-CB 3.14Å; S240-T244 PolarHBondContact O-N 3.26Å; S240-T244 PolarHBondContact O-OG1 2.72Å; R241-T244 WeakPolarHBondContact O-CB 3.12Å; R241-T244 PolarHBondContact O-N 3.26Å; N242-T244 VanDerWaalsContact C-N 3.33Å; N242-T244 PolarHBondContact O-N 2.94Å; T244-S248 VanDerWaalsContact O-CB 3.3Å; T244-S248 WeakPolarHBondContact O-CB 3.07Å; T244-S248 PolarHBondContact O-N 3.22Å; T244-S248 PolarHBondContact O-OG 2.84Å
245H93.9Very high92.8Very high121 Ų121105.6 Ų105.656%0.5651%0.514SS*.Hα-helixtrans-66.1-39.4177.2-86.228.6000113R241 N242 K243 R249R241-H245 WeakPolarHBondContact O-CB 3.41Å; R241-H245 PolarHBondContact O-N 3.17Å; R241-H245 PolarHBondContact O-ND1 3.28Å; N242-H245 PolarHBondContact O-N 2.8Å; K243-H245 PolarHBondContact O-N 3.45Å; H245-R249 PolarHBondContact O-N 3.46Å
246V94.9Very high93Very high65 Ų65103.8 Ų103.839%0.39451%0.507SS..Hα-helixtrans-65.2-51.3175.4172.60000110N242 K243 S248 R249 E250N242-V246 WeakPolarHBondContact O-CG2 3.45Å; N242-V246 PolarHBondContact O-N 3.3Å; K243-V246 PolarHBondContact O-N 2.81Å; V246-S248 VanDerWaalsContact C-N 3.3Å; V246-S248 PolarHBondContact O-N 3.42Å; V246-R249 WeakPolarHBondContact O-CB 3.34Å; V246-R249 PolarHBondContact O-N 3.41Å; V246-R249 VanDerWaalsContact O-N 3.09Å; V246-E250 PolarHBondContact O-N 3.18Å
247L93.9Very high93.1Very high98 Ų98103.8 Ų103.851%0.51350%0.502SS..Hα-helixtrans-57.3-42.1176.4-71.9170000112.1K243 R249 E250 I251K243-L247 WeakPolarHBondContact O-CB 3.21Å; K243-L247 VanDerWaalsContact O-CG 3.31Å; K243-L247 WeakPolarHBondContact O-CG 3.44Å; K243-L247 PolarHBondContact O-N 3.15Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.16Å; L247-E250 PolarHBondContact O-N 3.23Å; L247-I251 WeakPolarHBondContact O-CB 3.5Å; L247-I251 VanDerWaalsContact O-CG1 3.26Å; L247-I251 WeakPolarHBondContact O-CG1 3.48Å; L247-I251 PolarHBondContact O-N 3.24Å
248S92.6Very high93.1Very high63 Ų63105.5 Ų105.544%0.44151%0.506SS..Hα-helixtrans-62.8-40.5177.6-58.90000111.9T244 V246 Q252T244-S248 VanDerWaalsContact O-CB 3.3Å; T244-S248 WeakPolarHBondContact O-CB 3.07Å; T244-S248 PolarHBondContact O-N 3.22Å; T244-S248 PolarHBondContact O-OG 2.84Å; V246-S248 VanDerWaalsContact C-N 3.3Å; V246-S248 PolarHBondContact O-N 3.42Å; S248-Q252 WeakPolarHBondContact O-CB 3.48Å; S248-Q252 PolarHBondContact O-N 3.33Å
249R95.4Very high93.1Very high176 Ų17699.3 Ų99.366%0.66449%0.492SS*.Hα-helixtrans-64.7-43.3174.1-90.4-174.4-83.6167.4-8.9112.1H245 V246 L247 Q252 S253H245-R249 PolarHBondContact O-N 3.46Å; V246-R249 WeakPolarHBondContact O-CB 3.34Å; V246-R249 PolarHBondContact O-N 3.41Å; V246-R249 VanDerWaalsContact O-N 3.09Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.16Å; R249-Q252 PolarHBondContact O-N 2.96Å; R249-S253 PolarHBondContact O-N 3.43Å
250E94.6Very high93.2Very high105 Ų105103.2 Ų103.249%0.49150%0.504SS..Hα-helixtrans-63.8-44.6177.5-73.8176.6-178.800112V246 L247 Q252 S253 L254V246-E250 PolarHBondContact O-N 3.18Å; L247-E250 PolarHBondContact O-N 3.23Å; E250-Q252 VanDerWaalsContact C-N 3.31Å; E250-Q252 PolarHBondContact O-N 3.03Å; E250-S253 PolarHBondContact O-N 3.33Å; E250-L254 WeakPolarHBondContact O-CB 3.36Å; E250-L254 WeakPolarHBondContact O-CG 3.15Å; E250-L254 PolarHBondContact O-N 3.48Å
251I93Very high93.4Very high111 Ų111104.2 Ų104.257%0.56950%0.501SS*.Hα-helixtrans-59.2-44.3175.2-70.2166.3000110.6L247 L254 K255L247-I251 WeakPolarHBondContact O-CB 3.5Å; L247-I251 VanDerWaalsContact O-CG1 3.26Å; L247-I251 WeakPolarHBondContact O-CG1 3.48Å; L247-I251 PolarHBondContact O-N 3.24Å; I251-L254 PolarHBondContact O-N 2.89Å; I251-K255 WeakPolarHBondContact O-CB 3.31Å; I251-K255 PolarHBondContact O-N 2.83Å
252Q92.4Very high93.3Very high94 Ų94102 Ų10244%0.43950%0.497SS..Hα-helixtrans-62.7-45.4178-177.460.624.600111.4S248 R249 E250 L254 K255 E256S248-Q252 WeakPolarHBondContact O-CB 3.48Å; S248-Q252 PolarHBondContact O-N 3.33Å; R249-Q252 PolarHBondContact O-N 2.96Å; E250-Q252 VanDerWaalsContact C-N 3.31Å; E250-Q252 PolarHBondContact O-N 3.03Å; Q252-L254 PolarHBondContact O-N 3.37Å; Q252-K255 WeakPolarHBondContact O-CB 3.4Å; Q252-K255 PolarHBondContact O-N 2.89Å; Q252-E256 PolarHBondContact NE2-OE1 3.38Å; Q252-E256 WeakPolarHBondContact O-CG 3.22Å; Q252-E256 PolarHBondContact O-N 3.15Å
253S94.6Very high93.4Very high64 Ų64102.5 Ų102.545%0.44850%0.499SS..Hα-helixtrans-59.8-45.4175.4-1780000112.1R249 E250 K255 E256 E257R249-S253 PolarHBondContact O-N 3.43Å; E250-S253 PolarHBondContact O-N 3.33Å; S253-K255 VanDerWaalsContact C-N 3.33Å; S253-K255 PolarHBondContact O-N 3.05Å; S253-E256 PolarHBondContact O-N 3.41Å; S253-E257 WeakPolarHBondContact O-CB 3.27Å; S253-E257 PolarHBondContact O-N 2.89Å
254L93.9Very high93.3Very high95 Ų95100.1 Ų100.150%0.49750%0.497SS..Hα-helixtrans-62.8-39.9177-76.6171.2000111.8E250 I251 Q252 E257 K258E250-L254 WeakPolarHBondContact O-CB 3.36Å; E250-L254 WeakPolarHBondContact O-CG 3.15Å; E250-L254 PolarHBondContact O-N 3.48Å; I251-L254 PolarHBondContact O-N 2.89Å; Q252-L254 PolarHBondContact O-N 3.37Å; L254-E257 PolarHBondContact O-N 3.27Å; L254-K258 WeakPolarHBondContact O-CB 3.44Å; L254-K258 VanDerWaalsContact O-CG 3.23Å; L254-K258 WeakPolarHBondContact O-CG 3.43Å; L254-K258 PolarHBondContact O-N 3.26Å
255K92.1Very high93.3Very high153 Ų153101.5 Ų101.567%0.66550%0.501SS*.Hα-helixtrans-63.2-43.3176.9-171.4179.5179.3-176.60111.4I251 Q252 S253 G259I251-K255 WeakPolarHBondContact O-CB 3.31Å; I251-K255 PolarHBondContact O-N 2.83Å; Q252-K255 WeakPolarHBondContact O-CB 3.4Å; Q252-K255 PolarHBondContact O-N 2.89Å; S253-K255 VanDerWaalsContact C-N 3.33Å; S253-K255 PolarHBondContact O-N 3.05Å; K255-G259 PolarHBondContact O-N 3.33Å
256E94.1Very high93.1Very high102 Ų102100 Ų10048%0.47750%0.495SS..Hα-helixtrans-65.9-40.5176.1-72.7171-166.500112.3Q252 S253 G259 R260Q252-E256 PolarHBondContact NE2-OE1 3.38Å; Q252-E256 WeakPolarHBondContact O-CG 3.22Å; Q252-E256 PolarHBondContact O-N 3.15Å; S253-E256 PolarHBondContact O-N 3.41Å; E256-G259 PolarHBondContact O-N 3.05Å; E256-R260 WeakPolarHBondContact O-CG 3.4Å; E256-R260 PolarHBondContact O-N 2.93Å
257E94.4Very high93.1Very high78 Ų78103.6 Ų103.636%0.36451%0.508SS..Hα-helixtrans-65.4-45.2175.4-166.2-171.4161.700111.8S253 L254 G259 R260 Q261S253-E257 WeakPolarHBondContact O-CB 3.27Å; S253-E257 PolarHBondContact O-N 2.89Å; L254-E257 PolarHBondContact O-N 3.27Å; E257-G259 VanDerWaalsContact C-N 3.32Å; E257-G259 PolarHBondContact O-N 2.97Å; E257-R260 PolarHBondContact O-N 3.47Å; E257-Q261 WeakPolarHBondContact O-CG 3.24Å; E257-Q261 PolarHBondContact O-N 3.49Å; E257-Q261 PolarHBondContact OE1-NE2 2.93Å; E257-Q261 VanDerWaalsContact OE1-NE2 3.12Å
258K91.9Very high93Very high124 Ų124101.4 Ų101.454%0.53950%0.498SS..Hα-helixtrans-64.5-36.6176-69.5-70.2165.5-160.90112.1L254 Q261 F262L254-K258 WeakPolarHBondContact O-CB 3.44Å; L254-K258 VanDerWaalsContact O-CG 3.23Å; L254-K258 WeakPolarHBondContact O-CG 3.43Å; L254-K258 PolarHBondContact O-N 3.26Å; K258-Q261 PolarHBondContact O-N 3.01Å; K258-F262 WeakPolarHBondContact O-CB 3.48Å; K258-F262 PolarHBondContact O-N 3.48Å
259G91.6Very high92.9Very high32 Ų32101.6 Ų101.633%0.3349%0.494SS..Hα-helixtrans-59.7-45.8171.300000112.2K255 E256 E257 F262 L263K255-G259 PolarHBondContact O-N 3.33Å; E256-G259 PolarHBondContact O-N 3.05Å; E257-G259 VanDerWaalsContact C-N 3.32Å; E257-G259 PolarHBondContact O-N 2.97Å; G259-F262 PolarHBondContact O-N 3.25Å; G259-L263 WeakPolarHBondContact O-CG 3.32Å; G259-L263 PolarHBondContact O-N 2.93Å
260R94.2Very high92.7Very high162 Ų16297 Ų9761%0.61148%0.482SS*.Hα-helixtrans-63.2-43.7174.7-76.1-176.8-79153.1-6.9112.7E256 E257 F262 L263 S264E256-R260 WeakPolarHBondContact O-CG 3.4Å; E256-R260 PolarHBondContact O-N 2.93Å; E257-R260 PolarHBondContact O-N 3.47Å; R260-F262 VanDerWaalsContact C-N 3.33Å; R260-F262 PolarHBondContact O-N 3.42Å; R260-L263 PolarHBondContact O-N 3.42Å; R260-S264 WeakPolarHBondContact O-CB 3.4Å; R260-S264 PolarHBondContact O-N 3.4Å
261Q92.7Very high92.5Very high86 Ų8698.7 Ų98.740%0.40248%0.484SS..Hα-helixtrans-61.4-41.8176-72.3174.45.300111.5E257 K258 S264 L265E257-Q261 WeakPolarHBondContact O-CG 3.24Å; E257-Q261 PolarHBondContact O-N 3.49Å; E257-Q261 PolarHBondContact OE1-NE2 2.93Å; E257-Q261 VanDerWaalsContact OE1-NE2 3.12Å; K258-Q261 PolarHBondContact O-N 3.01Å; Q261-S264 PolarHBondContact O-N 3.06Å; Q261-L265 WeakPolarHBondContact O-CB 3.41Å; Q261-L265 PolarHBondContact O-N 2.87Å
262F91.6Very high92.3Very high129 Ų12998.6 Ų98.657%0.56648%0.481SS*.Hα-helixtrans-64.4-44.3176.9-178-95000112.2K258 G259 R260 L265 M266K258-F262 WeakPolarHBondContact O-CB 3.48Å; K258-F262 PolarHBondContact O-N 3.48Å; G259-F262 PolarHBondContact O-N 3.25Å; R260-F262 VanDerWaalsContact C-N 3.33Å; R260-F262 PolarHBondContact O-N 3.42Å; F262-L265 PolarHBondContact O-N 3.19Å; F262-M266 HydrophobicContact CD1-CG 4.37Å; F262-M266 HydrophobicContact CE1-CG 3.89Å; F262-M266 HydrophobicContact CZ-CG 4.12Å; F262-M266 PolarHBondContact O-N 3.2Å
263L92.9Very high92.1Very high107 Ų107102.6 Ų102.656%0.5649%0.493SS*.Hα-helixtrans-61.2-45.9175.8-74.9166.6000111.7G259 R260 L265 M266 E267G259-L263 WeakPolarHBondContact O-CG 3.32Å; G259-L263 PolarHBondContact O-N 2.93Å; R260-L263 PolarHBondContact O-N 3.42Å; L263-L265 VanDerWaalsContact C-N 3.31Å; L263-L265 PolarHBondContact O-N 2.85Å; L263-M266 WeakPolarHBondContact O-CB 3.37Å; L263-M266 PolarHBondContact O-N 3.11Å; L263-E267 PolarHBondContact O-N 2.89Å
264S93.5Very high91.8Very high65 Ų65105.2 Ų105.246%0.45550%0.497SS..Hα-helixtrans-61.8-38.3176.6176.80000112.6R260 Q261 T268R260-S264 WeakPolarHBondContact O-CB 3.4Å; R260-S264 PolarHBondContact O-N 3.4Å; Q261-S264 PolarHBondContact O-N 3.06Å; S264-T268 PolarHBondContact O-N 3.34Å; S264-T268 PolarHBondContact O-OG1 3.38Å
265L91.8Very high91.6Very high102 Ų102105 Ų10553%0.53449%0.494SS..Hα-helixtrans-67-42.8175.1-173.169.4000111.5Q261 F262 L263 T268 I269Q261-L265 WeakPolarHBondContact O-CB 3.41Å; Q261-L265 PolarHBondContact O-N 2.87Å; F262-L265 PolarHBondContact O-N 3.19Å; L263-L265 VanDerWaalsContact C-N 3.31Å; L263-L265 PolarHBondContact O-N 2.85Å; L265-T268 WeakPolarHBondContact O-CB 3.4Å; L265-T268 PolarHBondContact O-N 3.38Å; L265-I269 HydrophobicContact CG-CD1 4.11Å; L265-I269 WeakPolarHBondContact O-CG1 3.46Å; L265-I269 PolarHBondContact O-N 2.81Å
266M89.3Confident91.1Very high90 Ų90103.9 Ų103.944%0.44349%0.493SS..Hα-helixtrans-57.7-48.9174.1-89.3-95.8-86.900111.4F262 L263 T268 I269 D270F262-M266 HydrophobicContact CD1-CG 4.37Å; F262-M266 HydrophobicContact CE1-CG 3.89Å; F262-M266 HydrophobicContact CZ-CG 4.12Å; F262-M266 PolarHBondContact O-N 3.2Å; L263-M266 WeakPolarHBondContact O-CB 3.37Å; L263-M266 PolarHBondContact O-N 3.11Å; M266-T268 VanDerWaalsContact C-N 3.25Å; M266-T268 PolarHBondContact O-N 3.02Å; M266-I269 PolarHBondContact O-N 3.03Å; M266-I269 VanDerWaalsContact O-N 3.16Å; M266-D270 PolarHBondContact O-N 2.98Å
267E93.6Very high90.6Very high140 Ų140100.5 Ų100.565%0.65449%0.485SS*.Hα-helixtrans-57.8-39175.1-74.4177.2176.300112.1L263 D270 R271L263-E267 PolarHBondContact O-N 2.89Å; E267-D270 PolarHBondContact O-N 2.93Å; E267-R271 WeakPolarHBondContact O-CB 3.33Å; E267-R271 PolarHBondContact O-N 3.05Å
268T93.5Very high90.2Very high52 Ų52105 Ų10532%0.31950%0.499SS..Hα-helixtrans-67.9-41.9177.7-54.90000111.8S264 L265 M266 R271 Q272S264-T268 PolarHBondContact O-N 3.34Å; S264-T268 PolarHBondContact O-OG1 3.38Å; L265-T268 WeakPolarHBondContact O-CB 3.4Å; L265-T268 PolarHBondContact O-N 3.38Å; M266-T268 VanDerWaalsContact C-N 3.25Å; M266-T268 PolarHBondContact O-N 3.02Å; T268-R271 PolarHBondContact O-N 2.9Å; T268-Q272 WeakPolarHBondContact O-CG 3.27Å; T268-Q272 PolarHBondContact O-N 3.49Å
269I89.4Confident89.8Confident66 Ų66102.4 Ų102.434%0.33850%0.496SS..Hα-helixtrans-63.9-44.7176-70.4168.3000110.2L265 M266 Q272 R273L265-I269 HydrophobicContact CG-CD1 4.11Å; L265-I269 WeakPolarHBondContact O-CG1 3.46Å; L265-I269 PolarHBondContact O-N 2.81Å; M266-I269 PolarHBondContact O-N 3.03Å; M266-I269 VanDerWaalsContact O-N 3.16Å; I269-Q272 PolarHBondContact O-N 3.29Å; I269-R273 HydrophobicContact CG2-CG 4.47Å; I269-R273 WeakPolarHBondContact O-CG 3.46Å; I269-R273 PolarHBondContact O-N 3.35Å
270D90.9Very high89.2Confident79 Ų79105.1 Ų105.142%0.42251%0.507SS..Hα-helixtrans-63.3-42.7178.3-74-23.5000111.1M266 E267 Q272 R273 E274M266-D270 PolarHBondContact O-N 2.98Å; E267-D270 PolarHBondContact O-N 2.93Å; D270-Q272 PolarHBondContact O-N 3.34Å; D270-R273 WeakPolarHBondContact O-CB 3.48Å; D270-R273 PolarHBondContact O-N 3.43Å; D270-E274 PolarHBondContact O-N 3.05Å
271R91.9Very high88.8Confident141 Ų141105.1 Ų105.153%0.53251%0.511SS..Hα-helixtrans-60.1-44.6172.9-171.4175.670.799.8-8.4112.2E267 T268 R273 E274 E275E267-R271 WeakPolarHBondContact O-CB 3.33Å; E267-R271 PolarHBondContact O-N 3.05Å; T268-R271 PolarHBondContact O-N 2.9Å; R271-R273 VanDerWaalsContact C-N 3.34Å; R271-R273 PolarHBondContact O-N 3.24Å; R271-E274 PolarHBondContact O-N 3.03Å; R271-E275 IonicContact CZ-OE1 3.93Å; R271-E275 IonicContact NH1-OE1 3.68Å; R271-E275 PolarHBondContact NH1-OE1 2.86Å; R271-E275 WeakPolarHBondContact O-CG 3.15Å; R271-E275 PolarHBondContact O-N 2.81Å
272Q88.7Confident88.3Confident110 Ų110104.5 Ų104.551%0.51452%0.516SS..Hα-helixtrans-63.5-38.8176-77.8-175.2-17.200112.1T268 I269 D270 E275 M276T268-Q272 WeakPolarHBondContact O-CG 3.27Å; T268-Q272 PolarHBondContact O-N 3.49Å; I269-Q272 PolarHBondContact O-N 3.29Å; D270-Q272 PolarHBondContact O-N 3.34Å; Q272-E275 PolarHBondContact O-N 3Å; Q272-M276 VanDerWaalsContact O-CB 3.24Å; Q272-M276 WeakPolarHBondContact O-CB 3.35Å; Q272-M276 WeakPolarHBondContact O-CG 3.46Å; Q272-M276 PolarHBondContact O-N 3.1Å
273R87.4Confident87.7Confident178 Ų178100.9 Ų100.967%0.67251%0.507SS*.Hα-helixtrans-63.8-41.3174.7-76.3177.1173.6-163-0.8111.6I269 D270 R271 G277I269-R273 HydrophobicContact CG2-CG 4.47Å; I269-R273 WeakPolarHBondContact O-CG 3.46Å; I269-R273 PolarHBondContact O-N 3.35Å; D270-R273 WeakPolarHBondContact O-CB 3.48Å; D270-R273 PolarHBondContact O-N 3.43Å; R271-R273 VanDerWaalsContact C-N 3.34Å; R271-R273 PolarHBondContact O-N 3.24Å; R273-G277 PolarHBondContact O-N 2.93Å
274E89.1Confident87.2Confident118 Ų11899.5 Ų99.555%0.55151%0.506SS*.Hα-helixtrans-63.8-46.4173.8-75.9-167.5-178.900112.4D270 R271 G277 R278D270-E274 PolarHBondContact O-N 3.05Å; R271-E274 PolarHBondContact O-N 3.03Å; E274-G277 PolarHBondContact O-N 2.91Å; E274-R278 WeakPolarHBondContact O-CG 3.46Å; E274-R278 PolarHBondContact O-N 2.84Å; E274-R278 IonicContact OE2-NH2 2.83Å
275E88.2Confident86.7Confident91 Ų9199 Ų9943%0.42551%0.506SS..Hα-helixtrans-61.7-45.9177.4-75.7173.8-172.100111.6R271 Q272 G277 R278 S279R271-E275 IonicContact CZ-OE1 3.93Å; R271-E275 IonicContact NH1-OE1 3.68Å; R271-E275 PolarHBondContact NH1-OE1 2.86Å; R271-E275 WeakPolarHBondContact O-CG 3.15Å; R271-E275 PolarHBondContact O-N 2.81Å; Q272-E275 PolarHBondContact O-N 3Å; E275-G277 VanDerWaalsContact C-N 3.32Å; E275-G277 PolarHBondContact O-N 2.89Å; E275-R278 PolarHBondContact O-N 3.33Å; E275-S279 WeakPolarHBondContact O-CB 3.45Å; E275-S279 PolarHBondContact O-N 2.87Å
276M81.8Confident86.3Confident130 Ų13099.7 Ų99.764%0.6451%0.507SS*.Hα-helixtrans-58-43.7171.9-76.6-84-71.400111.2Q272 R278 S279 T280Q272-M276 VanDerWaalsContact O-CB 3.24Å; Q272-M276 WeakPolarHBondContact O-CB 3.35Å; Q272-M276 WeakPolarHBondContact O-CG 3.46Å; Q272-M276 PolarHBondContact O-N 3.1Å; M276-R278 PolarHBondContact O-N 2.8Å; M276-S279 PolarHBondContact O-N 2.86Å; M276-T280 WeakPolarHBondContact O-CB 3.39Å; M276-T280 PolarHBondContact O-N 2.96Å; M276-T280 PolarHBondContact O-OG1 2.92Å
277G83.7Confident85.9Confident31 Ų31100.1 Ų100.132%0.3251%0.51SS..Hα-helixtrans-61.1-41.5175.600000112.9R273 E274 E275 K281R273-G277 PolarHBondContact O-N 2.93Å; E274-G277 PolarHBondContact O-N 2.91Å; E275-G277 VanDerWaalsContact C-N 3.32Å; E275-G277 PolarHBondContact O-N 2.89Å; G277-K281 WeakPolarHBondContact O-CB 3.4Å; G277-K281 VanDerWaalsContact O-CG 3.29Å; G277-K281 WeakPolarHBondContact O-CG 3.23Å; G277-K281 PolarHBondContact O-N 2.96Å
278R86.8Confident85.4Confident173 Ų17395.2 Ų95.265%0.65350%0.497SS*.Hα-helixtrans-66-46.3174.5-69.7177-168.3-1746.8111.7E274 E275 M276 T280 K281 S282E274-R278 WeakPolarHBondContact O-CG 3.46Å; E274-R278 PolarHBondContact O-N 2.84Å; E274-R278 IonicContact OE2-NH2 2.83Å; E275-R278 PolarHBondContact O-N 3.33Å; M276-R278 PolarHBondContact O-N 2.8Å; R278-T280 PolarHBondContact O-N 3.42Å; R278-K281 PolarHBondContact O-N 3.4Å; R278-S282 WeakPolarHBondContact O-CB 3.37Å; R278-S282 PolarHBondContact O-N 2.97Å
279S82.3Confident84.9Confident69 Ų6999.1 Ų99.148%0.48351%0.511SS..Hα-helixtrans-60.4-46.1177.1-1730000111.1E275 M276 K281 S282 S283E275-S279 WeakPolarHBondContact O-CB 3.45Å; E275-S279 PolarHBondContact O-N 2.87Å; M276-S279 PolarHBondContact O-N 2.86Å; S279-K281 PolarHBondContact O-N 2.78Å; S279-S282 WeakPolarHBondContact O-CB 3.03Å; S279-S282 PolarHBondContact O-N 3.33Å; S279-S282 VanDerWaalsContact O-N 3.16Å; S279-S283 PolarHBondContact O-N 3.3Å; S279-S283 PolarHBondContact O-OG 2.8Å
280T80.4Confident84.5Confident89 Ų89101.8 Ų101.855%0.54653%0.526SS..Hα-helixtrans-63.1-41.7179.8-47.80000111.3M276 R278 S284M276-T280 WeakPolarHBondContact O-CB 3.39Å; M276-T280 PolarHBondContact O-N 2.96Å; M276-T280 PolarHBondContact O-OG1 2.92Å; R278-T280 PolarHBondContact O-N 3.42Å; T280-S284 WeakPolarHBondContact O-CB 3.46Å; T280-S284 PolarHBondContact O-N 3.23Å
281K84.9Confident83.9Confident162 Ų162103.4 Ų103.470%0.70453%0.531SS*.Hα-helixtrans-62.1-42.8173-75.4175.4-178.1-179.90112.1G277 R278 S279 S284 A285G277-K281 WeakPolarHBondContact O-CB 3.4Å; G277-K281 VanDerWaalsContact O-CG 3.29Å; G277-K281 WeakPolarHBondContact O-CG 3.23Å; G277-K281 PolarHBondContact O-N 2.96Å; R278-K281 PolarHBondContact O-N 3.4Å; S279-K281 PolarHBondContact O-N 2.78Å; K281-S284 PolarHBondContact O-N 2.99Å; K281-A285 WeakPolarHBondContact O-CB 3.39Å; K281-A285 PolarHBondContact O-N 2.99Å
282S81.9Confident83.6Confident72 Ų72102.4 Ų102.450%0.50353%0.532SS..Hα-helixtrans-64.5-48.9177.6179.70000112R278 S279 S284 A285 Q286R278-S282 WeakPolarHBondContact O-CB 3.37Å; R278-S282 PolarHBondContact O-N 2.97Å; S279-S282 WeakPolarHBondContact O-CB 3.03Å; S279-S282 PolarHBondContact O-N 3.33Å; S279-S282 VanDerWaalsContact O-N 3.16Å; S282-S284 VanDerWaalsContact C-N 3.33Å; S282-S284 PolarHBondContact O-N 3.34Å; S282-A285 PolarHBondContact O-N 2.83Å; S282-Q286 WeakPolarHBondContact O-CB 3.44Å; S282-Q286 PolarHBondContact O-N 2.94Å
283S79.6Confident83.3Confident53 Ų5399.3 Ų99.337%0.37153%0.525SS..Hα-helixtrans-61.4-40.6175.8-54.50000111.9S279 Q286 I287S279-S283 PolarHBondContact O-N 3.3Å; S279-S283 PolarHBondContact O-OG 2.8Å; S283-Q286 PolarHBondContact O-N 2.87Å; S283-I287 WeakPolarHBondContact O-CB 3.41Å; S283-I287 VanDerWaalsContact O-CG1 3.25Å; S283-I287 WeakPolarHBondContact O-CG1 3.5Å; S283-I287 PolarHBondContact O-N 3.1Å
284S83.2Confident83.1Confident79 Ų7996.2 Ų96.255%0.55252%0.522SS*.Hα-helixtrans-61.6-43.2174.8173.70000112.3T280 K281 S282 Q286 I287 G288T280-S284 WeakPolarHBondContact O-CB 3.46Å; T280-S284 PolarHBondContact O-N 3.23Å; K281-S284 PolarHBondContact O-N 2.99Å; S282-S284 VanDerWaalsContact C-N 3.33Å; S282-S284 PolarHBondContact O-N 3.34Å; S284-Q286 VanDerWaalsContact C-N 3.34Å; S284-Q286 PolarHBondContact O-N 3.48Å; S284-I287 PolarHBondContact O-N 3.44Å; S284-G288 PolarHBondContact O-N 2.87Å
285A81.6Confident82.8Confident55 Ų5595.5 Ų95.546%0.45552%0.521SS..Hα-helixtrans-63-41.2175.100000111.8K281 S282 G288 Q289K281-A285 WeakPolarHBondContact O-CB 3.39Å; K281-A285 PolarHBondContact O-N 2.99Å; S282-A285 PolarHBondContact O-N 2.83Å; A285-G288 PolarHBondContact O-N 3.12Å; A285-Q289 WeakPolarHBondContact O-CG 3.39Å; A285-Q289 PolarHBondContact O-N 3.06Å
286Q83.9Confident82.5Confident116 Ų11696.8 Ų96.854%0.54253%0.527SS..Hα-helixtrans-67.4-40.7179.1-149171.911.300112S282 S283 S284 G288 Q289 L290S282-Q286 WeakPolarHBondContact O-CB 3.44Å; S282-Q286 PolarHBondContact O-N 2.94Å; S283-Q286 PolarHBondContact O-N 2.87Å; S284-Q286 VanDerWaalsContact C-N 3.34Å; S284-Q286 PolarHBondContact O-N 3.48Å; Q286-G288 VanDerWaalsContact C-N 3.35Å; Q286-Q289 PolarHBondContact O-N 2.95Å; Q286-L290 WeakPolarHBondContact O-CG 3.46Å; Q286-L290 PolarHBondContact O-N 3.29Å
287I82.1Confident82.5Confident98 Ų9899.7 Ų99.750%0.50353%0.531SS..Hα-helixtrans-60.2-46.3170.9-70165.3000109.9S283 S284 Q289 L290 Q291S283-I287 WeakPolarHBondContact O-CB 3.41Å; S283-I287 VanDerWaalsContact O-CG1 3.25Å; S283-I287 WeakPolarHBondContact O-CG1 3.5Å; S283-I287 PolarHBondContact O-N 3.1Å; S284-I287 PolarHBondContact O-N 3.44Å; I287-Q289 VanDerWaalsContact C-N 3.34Å; I287-Q289 PolarHBondContact O-N 2.93Å; I287-L290 PolarHBondContact O-N 3.05Å; I287-Q291 WeakPolarHBondContact O-CB 3.45Å; I287-Q291 PolarHBondContact O-N 3.19Å
288G82.6Confident82.4Confident38 Ų38104.5 Ų104.539%0.39254%0.543SS..Hα-helixtrans-56.9-44.8176.600000113.1S284 A285 Q286 Q291 Q292S284-G288 PolarHBondContact O-N 2.87Å; A285-G288 PolarHBondContact O-N 3.12Å; Q286-G288 VanDerWaalsContact C-N 3.35Å; G288-Q291 PolarHBondContact O-N 3.2Å; G288-Q292 PolarHBondContact O-N 3.21Å
289Q83.5Confident81.9Confident133 Ų133100 Ų10062%0.62154%0.539SS*.Hα-helixtrans-62.5-44.7175.5-73.1177.2-700112.4A285 Q286 I287 Q291 Q292 A293A285-Q289 WeakPolarHBondContact O-CG 3.39Å; A285-Q289 PolarHBondContact O-N 3.06Å; Q286-Q289 PolarHBondContact O-N 2.95Å; I287-Q289 VanDerWaalsContact C-N 3.34Å; I287-Q289 PolarHBondContact O-N 2.93Å; Q289-Q291 VanDerWaalsContact C-N 3.29Å; Q289-Q291 PolarHBondContact O-N 2.92Å; Q289-Q292 PolarHBondContact O-N 3.3Å; Q289-A293 PolarHBondContact O-N 3.23Å
290L80.2Confident81.7Confident122 Ų12299.3 Ų99.364%0.63954%0.537SS*.Hα-helixtrans-63.1-37.1176.8-74.1169.7000111.9Q286 I287 A293 L294Q286-L290 WeakPolarHBondContact O-CG 3.46Å; Q286-L290 PolarHBondContact O-N 3.29Å; I287-L290 PolarHBondContact O-N 3.05Å; L290-A293 PolarHBondContact O-N 3.32Å; L290-L294 WeakPolarHBondContact O-CB 3.29Å; L290-L294 PolarHBondContact O-N 3.26Å
291Q79.1Confident81.6Confident114 Ų11499.9 Ų99.953%0.53354%0.535SS..Hα-helixtrans-71.1-35.9179.6-148.5149.4-4.900111.6I287 G288 Q289 L294 N295I287-Q291 WeakPolarHBondContact O-CB 3.45Å; I287-Q291 PolarHBondContact O-N 3.19Å; G288-Q291 PolarHBondContact O-N 3.2Å; Q289-Q291 VanDerWaalsContact C-N 3.29Å; Q289-Q291 PolarHBondContact O-N 2.92Å; Q291-L294 PolarHBondContact O-N 3.29Å; Q291-N295 PolarHBondContact O-N 3.27Å; Q291-N295 PolarHBondContact O-ND2 3.25Å
292Q83.9Confident81.3Confident120 Ų12097 Ų9756%0.56153%0.527SS*.Hα-helixtrans-63.6-48.7170.2-173.9172.1-5.500111.4G288 Q289 L294 N295 E296G288-Q292 PolarHBondContact O-N 3.21Å; Q289-Q292 PolarHBondContact O-N 3.3Å; Q292-L294 VanDerWaalsContact C-N 3.29Å; Q292-L294 PolarHBondContact O-N 2.94Å; Q292-N295 PolarHBondContact O-N 3.32Å; Q292-N295 VanDerWaalsContact O-N 3.14Å; Q292-E296 WeakPolarHBondContact O-CG 3.3Å; Q292-E296 PolarHBondContact O-N 3.25Å
293A82.4Confident81.1Confident44 Ų4496.6 Ų96.636%0.36453%0.525SS..Hα-helixtrans-61.3-35.7176.500000112.8Q289 L290 R297Q289-A293 PolarHBondContact O-N 3.23Å; L290-A293 PolarHBondContact O-N 3.32Å; A293-R297 PolarHBondContact O-N 2.98Å
294L84.1Confident80.8Confident114 Ų11499.5 Ų99.560%0.59754%0.536SS*.Hα-helixtrans-64.6-44.1174.4-174.374.7000111.5L290 Q291 Q292 R297 K298L290-L294 WeakPolarHBondContact O-CB 3.29Å; L290-L294 PolarHBondContact O-N 3.26Å; Q291-L294 PolarHBondContact O-N 3.29Å; Q292-L294 VanDerWaalsContact C-N 3.29Å; Q292-L294 PolarHBondContact O-N 2.94Å; L294-R297 PolarHBondContact O-N 3.47Å; L294-K298 WeakPolarHBondContact O-CB 3.36Å; L294-K298 PolarHBondContact O-N 2.97Å
295N81.8Confident80.3Confident102 Ų10299 Ų9955%0.54553%0.529SS..Hα-helixtrans-64.8-40.3177.5-75.9-23000111.9Q291 Q292 K298 S299Q291-N295 PolarHBondContact O-N 3.27Å; Q291-N295 PolarHBondContact O-ND2 3.25Å; Q292-N295 PolarHBondContact O-N 3.32Å; Q292-N295 VanDerWaalsContact O-N 3.14Å; N295-K298 PolarHBondContact O-N 3.27Å; N295-S299 WeakPolarHBondContact O-CB 3.44Å; N295-S299 PolarHBondContact O-N 3.08Å
296E82.6Confident79.7Confident118 Ų11898.9 Ų98.955%0.55153%0.529SS*.Hα-helixtrans-61.4-46.6173.7-72.4171.5-173.100111.5Q292 K298 S299 A300Q292-E296 WeakPolarHBondContact O-CG 3.3Å; Q292-E296 PolarHBondContact O-N 3.25Å; E296-K298 PolarHBondContact O-N 3.49Å; E296-S299 WeakPolarHBondContact O-CB 3.46Å; E296-S299 PolarHBondContact O-N 3.42Å; E296-A300 PolarHBondContact O-N 3Å
297R81.7Confident79.1Confident191 Ų19199.9 Ų99.972%0.72153%0.531SS*.Hα-helixtrans-61.8-41.2174.4-79.6-171.1177.2-166.70.9112.4A293 L294 S299 A300 I301A293-R297 PolarHBondContact O-N 2.98Å; L294-R297 PolarHBondContact O-N 3.47Å; R297-S299 VanDerWaalsContact C-N 3.33Å; R297-S299 PolarHBondContact O-N 3.45Å; R297-A300 PolarHBondContact O-N 2.88Å; R297-I301 VanDerWaalsContact O-CG1 3.31Å; R297-I301 WeakPolarHBondContact O-CG1 3.32Å; R297-I301 PolarHBondContact O-N 3.22Å
298K81.3Confident78.4Confident133 Ų13399.9 Ų99.958%0.57853%0.532SS*.Hα-helixtrans-63.1-39.7177.5-166.7175.7-177.4179.70111.6L294 N295 E296 I301 N302L294-K298 WeakPolarHBondContact O-CB 3.36Å; L294-K298 PolarHBondContact O-N 2.97Å; N295-K298 PolarHBondContact O-N 3.27Å; E296-K298 PolarHBondContact O-N 3.49Å; K298-I301 PolarHBondContact O-N 3.01Å; K298-N302 VanDerWaalsContact O-CG 3.28Å; K298-N302 PolarHBondContact O-N 3.34Å
299S77.9Confident77.6Confident79 Ų79104.2 Ų104.255%0.55254%0.542SS*.Hα-helixtrans-62.3-44.7172.8-175.30000112N295 E296 R297 I301 N302 S303N295-S299 WeakPolarHBondContact O-CB 3.44Å; N295-S299 PolarHBondContact O-N 3.08Å; E296-S299 WeakPolarHBondContact O-CB 3.46Å; E296-S299 PolarHBondContact O-N 3.42Å; R297-S299 VanDerWaalsContact C-N 3.33Å; R297-S299 PolarHBondContact O-N 3.45Å; S299-I301 PolarHBondContact O-N 3.23Å; S299-N302 PolarHBondContact O-N 2.96Å; S299-S303 PolarHBondContact O-N 3.12Å
300A77.3Confident76.4Confident53 Ų53105.3 Ų105.344%0.43855%0.549SS..Hα-helixtrans-62.2-41.3176.200000112.5E296 R297 S303 L304E296-A300 PolarHBondContact O-N 3Å; R297-A300 PolarHBondContact O-N 2.88Å; A300-S303 WeakPolarHBondContact O-CB 3.48Å; A300-S303 PolarHBondContact O-N 3.01Å; A300-L304 WeakPolarHBondContact O-CG 3.45Å; A300-L304 PolarHBondContact O-N 3.42Å
301I77.8Confident75.5Confident101 Ų101103.7 Ų103.752%0.51854%0.544SS..Hα-helixtrans-61.7-46.7175.5-70170.7000110.5R297 K298 S299 S303 L304 T305R297-I301 VanDerWaalsContact O-CG1 3.31Å; R297-I301 WeakPolarHBondContact O-CG1 3.32Å; R297-I301 PolarHBondContact O-N 3.22Å; K298-I301 PolarHBondContact O-N 3.01Å; S299-I301 PolarHBondContact O-N 3.23Å; I301-S303 VanDerWaalsContact C-N 3.26Å; I301-S303 PolarHBondContact O-N 3.46Å; I301-L304 PolarHBondContact O-N 3.49Å; I301-L304 VanDerWaalsContact O-N 3.09Å; I301-T305 PolarHBondContact O-N 2.96Å; I301-T305 PolarHBondContact O-OG1 3.07Å
302N78.6Confident74.4Confident101 Ų101104 Ų10454%0.5455%0.546SS..Hα-helixtrans-60.1-36.9178.1-70.3-14.3000112.4K298 S299 A306K298-N302 VanDerWaalsContact O-CG 3.28Å; K298-N302 PolarHBondContact O-N 3.34Å; S299-N302 PolarHBondContact O-N 2.96Å; N302-A306 PolarHBondContact O-N 3.41Å
303S77.9Confident73Confident65 Ų65101.5 Ų101.546%0.45555%0.545SS..Hα-helixtrans-65.2-40.6174.1-179.10000112.6S299 A300 I301 A306 K307S299-S303 PolarHBondContact O-N 3.12Å; A300-S303 WeakPolarHBondContact O-CB 3.48Å; A300-S303 PolarHBondContact O-N 3.01Å; I301-S303 VanDerWaalsContact C-N 3.26Å; I301-S303 PolarHBondContact O-N 3.46Å; S303-A306 PolarHBondContact O-N 3.16Å; S303-K307 PolarHBondContact O-N 3.44Å
304L72.6Confident71.6Confident114 Ų114103 Ų10360%0.59756%0.557SS**Hα-helixtrans-67.8-39.7177.5-74.4166.2000112A300 I301 A306 K307 L308A300-L304 WeakPolarHBondContact O-CG 3.45Å; A300-L304 PolarHBondContact O-N 3.42Å; I301-L304 PolarHBondContact O-N 3.49Å; I301-L304 VanDerWaalsContact O-N 3.09Å; L304-A306 VanDerWaalsContact C-N 3.3Å; L304-A306 PolarHBondContact O-N 2.98Å; L304-K307 PolarHBondContact O-N 3.37Å; L304-K307 VanDerWaalsContact O-N 3.12Å; L304-L308 PolarHBondContact O-N 2.86Å
305T72.8Confident70Confident68 Ų68104.5 Ų104.542%0.41757%0.565SS.*Hα-helixtrans-60.9-39.1175.8-50.90000111.8I301 K307 L308 Q309I301-T305 PolarHBondContact O-N 2.96Å; I301-T305 PolarHBondContact O-OG1 3.07Å; T305-K307 VanDerWaalsContact C-N 3.33Å; T305-K307 PolarHBondContact O-N 2.9Å; T305-L308 PolarHBondContact O-N 2.87Å; T305-Q309 WeakPolarHBondContact O-CG 3.46Å; T305-Q309 PolarHBondContact O-N 3.42Å
306A69.8Low68.3Low53 Ų53103.9 Ų103.944%0.43858%0.575SS.*Hα-helixtrans-65.8-34.1175.300000112.9N302 S303 L304N302-A306 PolarHBondContact O-N 3.41Å; S303-A306 PolarHBondContact O-N 3.16Å; L304-A306 VanDerWaalsContact C-N 3.3Å; L304-A306 PolarHBondContact O-N 2.98Å
307K72.1Confident66.4Low136 Ų136106 Ų10659%0.59159%0.588SS**Hα-helixtrans-69.9-37.8175.3-72.9-178.9178.1179.40112.4S303 L304 T305 M310 T311S303-K307 PolarHBondContact O-N 3.44Å; L304-K307 PolarHBondContact O-N 3.37Å; L304-K307 VanDerWaalsContact O-N 3.12Å; T305-K307 VanDerWaalsContact C-N 3.33Å; T305-K307 PolarHBondContact O-N 2.9Å; K307-M310 PolarHBondContact O-N 3.24Å; K307-T311 PolarHBondContact O-N 3.24Å; K307-T311 PolarHBondContact O-OG1 3.1Å
308L67.3Low64.6Low99 Ų99101.6 Ų101.652%0.51859%0.587SS.*Hα-helixtrans-63.1-42.3178.4-168.773.8000111.8L304 T305 M310 T311 E312L304-L308 PolarHBondContact O-N 2.86Å; T305-L308 PolarHBondContact O-N 2.87Å; L308-M310 PolarHBondContact O-N 2.84Å; L308-T311 WeakPolarHBondContact CA-OG1 3.39Å; L308-T311 PolarHBondContact O-N 3.06Å; L308-T311 VanDerWaalsContact O-N 3.15Å; L308-T311 PolarHBondContact O-OG1 2.94Å; L308-E312 PolarHBondContact O-N 3.08Å; L308-E312 VanDerWaalsContact O-N 3.11Å
309Q64.8Low62.7Low129 Ų129104.4 Ų104.460%0.60360%0.603SS**Hα-helixtrans-62.4-29.3177.5-71.9178.9-22.900113.2T305T305-Q309 WeakPolarHBondContact O-CG 3.46Å; T305-Q309 PolarHBondContact O-N 3.42Å
310M59Low60.7Low155 Ų155109.6 Ų109.676%0.76462%0.618SS**Hα-helixtrans-75.7-33.8175.9-66.2-126.4126.800112.8K307 L308K307-M310 PolarHBondContact O-N 3.24Å; L308-M310 PolarHBondContact O-N 2.84Å
311T60.6Low58.6Low88 Ų88117.2 Ų117.254%0.5464%0.641SS.*Hα-helixtrans-75.2-31.4178.747.70000112.8K307 L308 A313 A314K307-T311 PolarHBondContact O-N 3.24Å; K307-T311 PolarHBondContact O-OG1 3.1Å; L308-T311 WeakPolarHBondContact CA-OG1 3.39Å; L308-T311 PolarHBondContact O-N 3.06Å; L308-T311 VanDerWaalsContact O-N 3.15Å; L308-T311 PolarHBondContact O-OG1 2.94Å; T311-A313 VanDerWaalsContact C-N 3.32Å; T311-A313 PolarHBondContact O-N 2.88Å; T311-A314 PolarHBondContact O-N 2.89Å
312E57.3Low56.6Low122 Ų122115.6 Ų115.657%0.5765%0.649SS**Hα-helixtrans-69.6-29.6175.5-71.8174.416400112.2L308L308-E312 PolarHBondContact O-N 3.08Å; L308-E312 VanDerWaalsContact O-N 3.11Å
313A54.3Low54.4Low66 Ų66120.3 Ų120.355%0.54567%0.668SS.*Hα-helixtrans-70.9-27.1174.300000113.7T311T311-A313 VanDerWaalsContact C-N 3.32Å; T311-A313 PolarHBondContact O-N 2.88Å
314A52.1Low52.3Low75 Ų75122.7 Ų122.762%0.6269%0.685SS**Hα-helixtrans-77.2-21.9179.500000113.2T311T311-A314 PolarHBondContact O-N 2.89Å
315L50Low50.5Low146 Ų146124.8 Ų124.876%0.76469%0.694SS**Hα-helixtrans-81.8-22.6-178.1-160.371.8000112.7L317L315-L317 VanDerWaalsContact C-N 3.3Å; L315-L317 PolarHBondContact O-N 2.76Å
316A46.7Very low49.5Very low90 Ų90124.4 Ų124.474%0.74470%0.703SS**THydrogen-bonded Turntrans-77.4-5.5-175.900000115.2
317L42.3Very low48.5Very low161 Ų161130 Ų13084%0.84372%0.72SS**THydrogen-bonded Turntrans-103.7-2.2-174.9-101.5153.9000114.8L315L315-L317 VanDerWaalsContact C-N 3.3Å; L315-L317 PolarHBondContact O-N 2.76Å
318S43.5Very low47.5Very low100 Ų100127.8 Ų127.870%0.69972%0.718SS**SBendtrans-106.95.4-168.4-169.20000116.3
319E42.5Very low46.5Very low192 Ų192128.6 Ų128.690%0.89772%0.722SS**  trans-118.866.1-179.2-68.4-167.2160.900113.1
320Q35.2Very low45.8Very low188 Ų188127.7 Ų127.788%0.87973%0.729SS**  trans-152.883.8156.3-155.2-178.324.600112.1
321K34Very low45.4Very low212 Ų212129.8 Ų129.892%0.92273%0.728SS**  trans-174122.3140.7-108.2170.4-176.7179.10110.8
322G34.7Very low44.9Very low67 Ų67130.9 Ų130.969%0.69173%0.728SS**  trans-88.5170.5-178.300000115
323Q32.9Very low44.7Very low201 Ų201132.2 Ų132.294%0.93973%0.732SS**  trans67.893.6141.3-62.5-179.3-3.800118.4
324S33.6Very low44.8Very low115 Ų115132.3 Ų132.380%0.80473%0.733SS**  -163.1145.612370.80000106.8
325M34.7Very low44.9Very low158 Ų158133.9 Ų133.978%0.77873%0.728SS**  cis-163.1153.92.3-115.9-93.1-10900106.8E327M325-E327 PolarHBondContact O-N 2.92Å
326G53Low45.1Very low59 Ų59133.7 Ų133.761%0.60872%0.721SS**THydrogen-bonded Turntrans-60.518-166.900000119.2
327E48Very low45.7Very low170 Ų170134.5 Ų134.579%0.79471%0.709SS**THydrogen-bonded Turntrans-98.8-16.9-177.5-69.1-178.1160.600113.6M325 L329M325-E327 PolarHBondContact O-N 2.92Å; E327-L329 VanDerWaalsContact C-N 3.33Å; E327-L329 PolarHBondContact O-N 3.15Å
328V50.5Low46.5Very low91 Ų91133.1 Ų133.155%0.55270%0.698SS**THydrogen-bonded Turntrans-78.8-16.5176.9179.30000112.6C330 R331 M332V328-C330 VanDerWaalsContact C-N 3.25Å; V328-C330 PolarHBondContact O-N 3.2Å; V328-R331 PolarHBondContact O-N 2.78Å; V328-R331 VanDerWaalsContact O-N 3.17Å; V328-M332 HydrophobicContact CG1-CG 3.95Å; V328-M332 HydrophobicContact CG1-SD 4.37Å; V328-M332 WeakPolarHBondContact O-CB 3.45Å; V328-M332 PolarHBondContact O-N 2.88Å
329L46.8Very low47.1Very low115 Ų115134.6 Ų134.660%0.60269%0.694SS**Hα-helixtrans-66-21.2-178.6-93.7162.6000114.4E327 K333E327-L329 VanDerWaalsContact C-N 3.33Å; E327-L329 PolarHBondContact O-N 3.15Å; L329-K333 WeakPolarHBondContact O-CG 3.21Å; L329-K333 PolarHBondContact O-N 2.96Å
330C49.2Very low47.9Very low111 Ų111131 Ų13175%0.7568%0.675SS**Hα-helixtrans-88.8-22175.4-78.20000113.6V328V328-C330 VanDerWaalsContact C-N 3.25Å; V328-C330 PolarHBondContact O-N 3.2Å
331R51Low49.2Very low199 Ų199126.8 Ų126.875%0.75166%0.656SS**Hα-helixtrans-83.4-37168.9-70.4-173.7-172.5177.73.4111.7V328 K333 A334 E335V328-R331 PolarHBondContact O-N 2.78Å; V328-R331 VanDerWaalsContact O-N 3.17Å; R331-K333 VanDerWaalsContact C-N 3.3Å; R331-K333 PolarHBondContact O-N 3.25Å; R331-A334 PolarHBondContact O-N 3.1Å; R331-A334 VanDerWaalsContact O-N 3.15Å; R331-E335 PolarHBondContact O-N 2.87Å; R331-E335 VanDerWaalsContact O-N 3.11Å
332M50.4Low50.5Low110 Ų110122.6 Ų122.654%0.54264%0.64SS.*Hα-helixtrans-66.7-24.2175.7-86.5-161155.200114.4V328 A334 K336V328-M332 HydrophobicContact CG1-CG 3.95Å; V328-M332 HydrophobicContact CG1-SD 4.37Å; V328-M332 WeakPolarHBondContact O-CB 3.45Å; V328-M332 PolarHBondContact O-N 2.88Å; M332-A334 VanDerWaalsContact C-N 3.32Å; M332-K336 WeakPolarHBondContact O-CA 3.26Å; M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 2.96Å
333K54.1Low51.7Low150 Ų150125.2 Ų125.265%0.65263%0.634SS**Hα-helixtrans-70.7-28.2173.4-81.9-179.3-179.2179.50113L329 R331L329-K333 WeakPolarHBondContact O-CG 3.21Å; L329-K333 PolarHBondContact O-N 2.96Å; R331-K333 VanDerWaalsContact C-N 3.3Å; R331-K333 PolarHBondContact O-N 3.25Å
334A55Low53.2Low68 Ų68118.1 Ų118.156%0.56261%0.607SS**Hα-helixtrans-80.5-44.5175.100000111.3R331 M332 K336 E337 E338R331-A334 PolarHBondContact O-N 3.1Å; R331-A334 VanDerWaalsContact O-N 3.15Å; M332-A334 VanDerWaalsContact C-N 3.32Å; A334-K336 VanDerWaalsContact C-N 3.31Å; A334-K336 PolarHBondContact O-N 2.86Å; A334-E337 PolarHBondContact O-N 2.99Å; A334-E338 PolarHBondContact O-N 3.09Å
335E54.6Low55Low109 Ų109120.2 Ų120.251%0.50960%0.597SS.*Hα-helixtrans-67.8-27.9174.2-71.3175.817400112.8R331 E338 Q339R331-E335 PolarHBondContact O-N 2.87Å; R331-E335 VanDerWaalsContact O-N 3.11Å; E335-E338 PolarHBondContact O-N 2.83Å; E335-Q339 VanDerWaalsContact O-CB 3.29Å; E335-Q339 WeakPolarHBondContact O-CB 3.08Å; E335-Q339 WeakPolarHBondContact O-CG 3.32Å; E335-Q339 PolarHBondContact O-N 2.74Å
336K55.5Low56.5Low141 Ų141117.7 Ų117.761%0.61359%0.586SS**Hα-helixtrans-70-34175.7-179.4176.8-178.1177.50112.7M332 A334 K340M332-K336 WeakPolarHBondContact O-CA 3.26Å; M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 2.96Å; A334-K336 VanDerWaalsContact C-N 3.31Å; A334-K336 PolarHBondContact O-N 2.86Å; K336-K340 WeakPolarHBondContact O-CB 3.43Å; K336-K340 PolarHBondContact O-N 2.84Å
337E57.9Low57.2Low107 Ų107122.7 Ų122.750%0.559%0.587SS.*Hα-helixtrans-75.5-34173.4-81.6-58.5162.200111.6A334 K340 E341A334-E337 PolarHBondContact O-N 2.99Å; E337-K340 PolarHBondContact O-N 2.91Å; E337-K340 IonicContact OE1-NZ 3.73Å; E337-K340 PolarHBondContact OE1-NZ 3.04Å; E337-K340 IonicContact OE2-NZ 3.91Å; E337-E341 WeakPolarHBondContact O-CB 3.34Å; E337-E341 PolarHBondContact O-N 3.47Å
338E59.4Low58.3Low133 Ų133121 Ų12162%0.62158%0.576SS**Hα-helixtrans-68.4-43.2172.9-165.7171.8-173.400112.5A334 E335 K340 E341 Q342A334-E338 PolarHBondContact O-N 3.09Å; E335-E338 PolarHBondContact O-N 2.83Å; E338-K340 VanDerWaalsContact C-N 3.33Å; E338-K340 PolarHBondContact O-N 3.27Å; E338-E341 PolarHBondContact O-N 2.92Å; E338-Q342 WeakPolarHBondContact O-CB 3.27Å; E338-Q342 PolarHBondContact O-N 3.05Å
339Q56Low59.4Low131 Ų131123.1 Ų123.161%0.61258%0.578SS**Hα-helixtrans-65.8-32.8173.5-81.1-172.2-13.400113E335 Q343E335-Q339 VanDerWaalsContact O-CB 3.29Å; E335-Q339 WeakPolarHBondContact O-CB 3.08Å; E335-Q339 WeakPolarHBondContact O-CG 3.32Å; E335-Q339 PolarHBondContact O-N 2.74Å; Q339-Q343 VanDerWaalsContact O-CB 3.25Å; Q339-Q343 WeakPolarHBondContact O-CB 3.47Å; Q339-Q343 PolarHBondContact O-N 2.78Å
340K60.1Low60.5Low115 Ų115123.8 Ų123.850%0.558%0.578SS.*Hα-helixtrans-73.7-34.1176.7-172175.4165.6-150.40111.1K336 E337 E338 S344K336-K340 WeakPolarHBondContact O-CB 3.43Å; K336-K340 PolarHBondContact O-N 2.84Å; E337-K340 PolarHBondContact O-N 2.91Å; E337-K340 IonicContact OE1-NZ 3.73Å; E337-K340 PolarHBondContact OE1-NZ 3.04Å; E337-K340 IonicContact OE2-NZ 3.91Å; E338-K340 VanDerWaalsContact C-N 3.33Å; E338-K340 PolarHBondContact O-N 3.27Å; K340-S344 WeakPolarHBondContact O-CB 3.41Å; K340-S344 PolarHBondContact O-N 3.35Å
341E62.6Low61.6Low101 Ų101124.4 Ų124.447%0.47257%0.57SS.*Hα-helixtrans-68.5-41.9170.9-140.7-170143.700111.6E337 E338 S344 R345E337-E341 WeakPolarHBondContact O-CB 3.34Å; E337-E341 PolarHBondContact O-N 3.47Å; E338-E341 PolarHBondContact O-N 2.92Å; E341-S344 PolarHBondContact O-N 3.32Å; E341-S344 PolarHBondContact O-OG 3.25Å; E341-R345 WeakPolarHBondContact O-CG 3.39Å; E341-R345 PolarHBondContact O-N 3.39Å; E341-R345 IonicContact OE1-CZ 3.74Å; E341-R345 IonicContact OE1-NE 3.56Å; E341-R345 IonicContact OE1-NH2 2.81Å; E341-R345 PolarHBondContact OE1-NH2 3.33Å
342Q61.5Low62.7Low124 Ų124121.1 Ų121.158%0.57956%0.563SS**Hα-helixtrans-70.9-37.3177.8-148165.31000112.7E338 R345 L346E338-Q342 WeakPolarHBondContact O-CB 3.27Å; E338-Q342 PolarHBondContact O-N 3.05Å; Q342-R345 PolarHBondContact O-N 3.03Å; Q342-L346 PolarHBondContact O-N 2.79Å
343Q58.1Low64Low121 Ų121122.3 Ų122.357%0.56557%0.568SS**Hα-helixtrans-64.7-36.1168.3-90.2-173.3-1500112.1Q339 R345 L346 R347Q339-Q343 VanDerWaalsContact O-CB 3.25Å; Q339-Q343 WeakPolarHBondContact O-CB 3.47Å; Q339-Q343 PolarHBondContact O-N 2.78Å; Q343-R345 VanDerWaalsContact C-N 3.34Å; Q343-L346 PolarHBondContact O-N 3.18Å; Q343-R347 VanDerWaalsContact O-CB 3.31Å; Q343-R347 WeakPolarHBondContact O-CB 3.39Å; Q343-R347 WeakPolarHBondContact O-CG 3.16Å; Q343-R347 PolarHBondContact O-N 3.03Å
344S65.7Low64.9Low53 Ų53117.9 Ų117.937%0.37156%0.555SS.*Hα-helixtrans-66.2-37.4175.486.50000111.9K340 E341 K348K340-S344 WeakPolarHBondContact O-CB 3.41Å; K340-S344 PolarHBondContact O-N 3.35Å; E341-S344 PolarHBondContact O-N 3.32Å; E341-S344 PolarHBondContact O-OG 3.25Å; S344-K348 WeakPolarHBondContact O-CB 3.35Å; S344-K348 WeakPolarHBondContact O-CG 3.45Å; S344-K348 PolarHBondContact O-N 2.86Å
345R71.1Confident65.9Low159 Ų159118.2 Ų118.260%0.655%0.554SS**Hα-helixtrans-71.1-39.3176.9-69.2178.4-169.1-175.26.9112E341 Q342 Q343 K349E341-R345 WeakPolarHBondContact O-CG 3.39Å; E341-R345 PolarHBondContact O-N 3.39Å; E341-R345 IonicContact OE1-CZ 3.74Å; E341-R345 IonicContact OE1-NE 3.56Å; E341-R345 IonicContact OE1-NH2 2.81Å; E341-R345 PolarHBondContact OE1-NH2 3.33Å; Q342-R345 PolarHBondContact O-N 3.03Å; Q343-R345 VanDerWaalsContact C-N 3.34Å; R345-K349 PolarHBondContact O-N 3.16Å
346L66.9Low67.1Low105 Ų105118.1 Ų118.155%0.5556%0.556SS.*Hα-helixtrans-68.3-39.7173.7-87.8156.2000112.4Q342 Q343 K349 Q350Q342-L346 PolarHBondContact O-N 2.79Å; Q343-L346 PolarHBondContact O-N 3.18Å; L346-K349 PolarHBondContact O-N 2.9Å; L346-Q350 WeakPolarHBondContact O-CB 3.46Å; L346-Q350 PolarHBondContact O-N 3.49Å
347R66.3Low68.2Low164 Ų164120.3 Ų120.362%0.61956%0.561SS**Hα-helixtrans-62.9-44.8172.9-81.1-175.5178.3-171.8-0.3111.9Q343 K349 Q350 E351Q343-R347 VanDerWaalsContact O-CB 3.31Å; Q343-R347 WeakPolarHBondContact O-CB 3.39Å; Q343-R347 WeakPolarHBondContact O-CG 3.16Å; Q343-R347 PolarHBondContact O-N 3.03Å; R347-K349 PolarHBondContact O-N 3.25Å; R347-Q350 PolarHBondContact O-N 2.84Å; R347-E351 WeakPolarHBondContact O-CB 3.45Å; R347-E351 WeakPolarHBondContact O-CG 3.48Å; R347-E351 PolarHBondContact O-N 3.43Å
348K71.6Confident69.1Low133 Ų133120.8 Ų120.858%0.57856%0.563SS**Hα-helixtrans-60.3-43.1174.5-81.1-176.5174.9-176.30112.5S344 E351 E352S344-K348 WeakPolarHBondContact O-CB 3.35Å; S344-K348 WeakPolarHBondContact O-CG 3.45Å; S344-K348 PolarHBondContact O-N 2.86Å; K348-E351 PolarHBondContact O-N 3.33Å; K348-E352 WeakPolarHBondContact O-CB 3.26Å; K348-E352 VanDerWaalsContact O-CG 3.29Å; K348-E352 WeakPolarHBondContact O-CG 3.39Å; K348-E352 PolarHBondContact O-N 3.47Å
349K74.4Confident70.2Confident136 Ų136115.9 Ų115.959%0.59155%0.548SS*.Hα-helixtrans-63.6-41.8174.3-87.9-172172.8-174.10112.9R345 L346 R347 E352 E353R345-K349 PolarHBondContact O-N 3.16Å; L346-K349 PolarHBondContact O-N 2.9Å; R347-K349 PolarHBondContact O-N 3.25Å; K349-E352 PolarHBondContact O-N 3.11Å; K349-E353 WeakPolarHBondContact O-CB 3.47Å; K349-E353 WeakPolarHBondContact O-CG 3.24Å; K349-E353 PolarHBondContact O-N 3.24Å
350Q70.1Confident71.6Confident130 Ų130115.6 Ų115.661%0.60754%0.544SS*.Hα-helixtrans-67-37.6176-82.7-177.7-29.600112.5L346 R347 E353 S354L346-Q350 WeakPolarHBondContact O-CB 3.46Å; L346-Q350 PolarHBondContact O-N 3.49Å; R347-Q350 PolarHBondContact O-N 2.84Å; Q350-E353 PolarHBondContact O-N 3.41Å; Q350-S354 VanDerWaalsContact O-CB 3.32Å; Q350-S354 WeakPolarHBondContact O-CB 3.35Å; Q350-S354 PolarHBondContact O-N 3.49Å; Q350-S354 PolarHBondContact O-OG 3.35Å
351E70.6Confident72.7Confident124 Ų124114.3 Ų114.358%0.57954%0.542SS*.Hα-helixtrans-67.5-38.4174.5-77.3171.2176.300111.9R347 K348 S354 S355R347-E351 WeakPolarHBondContact O-CB 3.45Å; R347-E351 WeakPolarHBondContact O-CG 3.48Å; R347-E351 PolarHBondContact O-N 3.43Å; K348-E351 PolarHBondContact O-N 3.33Å; E351-S354 WeakPolarHBondContact CA-OG 3.49Å; E351-S354 PolarHBondContact O-OG 2.76Å; E351-S355 WeakPolarHBondContact O-CB 3.17Å; E351-S355 PolarHBondContact O-N 2.82Å
352E75.1Confident73.6Confident130 Ų130115.5 Ų115.561%0.60755%0.548SS*.Hα-helixtrans-67-43.3173.4-76.6172.2-175.200111.6K348 K349 L356K348-E352 WeakPolarHBondContact O-CB 3.26Å; K348-E352 VanDerWaalsContact O-CG 3.29Å; K348-E352 WeakPolarHBondContact O-CG 3.39Å; K348-E352 PolarHBondContact O-N 3.47Å; K349-E352 PolarHBondContact O-N 3.11Å; E352-L356 WeakPolarHBondContact O-CB 3.44Å; E352-L356 PolarHBondContact O-N 3.34Å
353E76.8Confident74.7Confident135 Ų135116.8 Ų116.863%0.63155%0.547SS*.Hα-helixtrans-67.8-38.5176.3-75.7178.7-179.700112.6K349 Q350 L356 R357K349-E353 WeakPolarHBondContact O-CB 3.47Å; K349-E353 WeakPolarHBondContact O-CG 3.24Å; K349-E353 PolarHBondContact O-N 3.24Å; Q350-E353 PolarHBondContact O-N 3.41Å; E353-L356 PolarHBondContact O-N 2.9Å; E353-R357 WeakPolarHBondContact O-CB 3.31Å; E353-R357 PolarHBondContact O-N 3.42Å
354S72.7Confident76.1Confident56 Ų56116.8 Ų116.839%0.39255%0.547SS..Hα-helixtrans-67.8-43.7174.868.20000111.2Q350 E351 L356 R357 E358Q350-S354 VanDerWaalsContact O-CB 3.32Å; Q350-S354 WeakPolarHBondContact O-CB 3.35Å; Q350-S354 PolarHBondContact O-N 3.49Å; Q350-S354 PolarHBondContact O-OG 3.35Å; E351-S354 WeakPolarHBondContact CA-OG 3.49Å; E351-S354 PolarHBondContact O-OG 2.76Å; S354-L356 VanDerWaalsContact C-N 3.34Å; S354-L356 PolarHBondContact O-N 3.33Å; S354-R357 PolarHBondContact O-N 2.91Å; S354-E358 WeakPolarHBondContact O-CB 3.46Å; S354-E358 WeakPolarHBondContact O-CG 3.41Å; S354-E358 PolarHBondContact O-N 3.03Å
355S76.6Confident76.9Confident76 Ų76118.6 Ų118.653%0.53155%0.552SS.*Hα-helixtrans-58.6-43.5174.3171.70000111.8E351 R357 G359E351-S355 WeakPolarHBondContact O-CB 3.17Å; E351-S355 PolarHBondContact O-N 2.82Å; S355-R357 PolarHBondContact O-N 3.08Å; S355-G359 PolarHBondContact O-N 3.49Å
356L80Confident77.7Confident107 Ų107116.8 Ų116.856%0.5655%0.55SS**Hα-helixtrans-66.7-37.9177.5-155.688.2000112.1E352 E353 S354 K360E352-L356 WeakPolarHBondContact O-CB 3.44Å; E352-L356 PolarHBondContact O-N 3.34Å; E353-L356 PolarHBondContact O-N 2.9Å; S354-L356 VanDerWaalsContact C-N 3.34Å; S354-L356 PolarHBondContact O-N 3.33Å; L356-K360 WeakPolarHBondContact O-CG 3.41Å; L356-K360 PolarHBondContact O-N 3Å; L356-K360 VanDerWaalsContact O-N 3.07Å
357R79.3Confident78.7Confident187 Ų187116.5 Ų116.571%0.70655%0.549SS*.Hα-helixtrans-71.7-42.3178.5-162.3174.4-168.9169.72.1111.6E353 S354 S355 G359 K360 L361E353-R357 WeakPolarHBondContact O-CB 3.31Å; E353-R357 PolarHBondContact O-N 3.42Å; S354-R357 PolarHBondContact O-N 2.91Å; S355-R357 PolarHBondContact O-N 3.08Å; R357-G359 VanDerWaalsContact C-N 3.33Å; R357-K360 PolarHBondContact O-N 3.26Å; R357-L361 WeakPolarHBondContact O-CG 3.06Å; R357-L361 PolarHBondContact O-N 3.41Å
358E77Confident79.7Confident117 Ų117113.7 Ų113.755%0.54755%0.546SS..Hα-helixtrans-60.9-41.9171.7-76.6-178.816800111.3S354 K360 L361 H362S354-E358 WeakPolarHBondContact O-CB 3.46Å; S354-E358 WeakPolarHBondContact O-CG 3.41Å; S354-E358 PolarHBondContact O-N 3.03Å; E358-K360 VanDerWaalsContact C-N 3.32Å; E358-K360 PolarHBondContact O-N 3.31Å; E358-L361 PolarHBondContact O-N 3.33Å; E358-H362 WeakPolarHBondContact O-CB 3.47Å; E358-H362 PolarHBondContact O-N 2.91Å; E358-H362 PolarHBondContact O-ND1 3.47Å
359G82.6Confident80.4Confident29 Ų29113 Ų11330%0.29955%0.546SS..Hα-helixtrans-68-25.1175.900000114.5S355 R357 R363S355-G359 PolarHBondContact O-N 3.49Å; R357-G359 VanDerWaalsContact C-N 3.33Å; G359-R363 PolarHBondContact O-N 3.33Å; G359-R363 PolarHBondContact O-NE 3.43Å; G359-R363 VanDerWaalsContact O-NE 3.07Å
360K84.5Confident81.1Confident125 Ų125112.4 Ų112.454%0.54355%0.546SS..Hα-helixtrans-75.8-47.3170.2-75.9178.4-177.1-179.60111.1L356 R357 E358 H362 R363 E364L356-K360 WeakPolarHBondContact O-CG 3.41Å; L356-K360 PolarHBondContact O-N 3Å; L356-K360 VanDerWaalsContact O-N 3.07Å; R357-K360 PolarHBondContact O-N 3.26Å; E358-K360 VanDerWaalsContact C-N 3.32Å; E358-K360 PolarHBondContact O-N 3.31Å; K360-H362 VanDerWaalsContact C-N 3.33Å; K360-H362 PolarHBondContact O-N 2.71Å; K360-R363 PolarHBondContact O-N 3.36Å; K360-E364 PolarHBondContact O-N 2.94Å
361L82.8Confident82Confident88 Ų88109.2 Ų109.246%0.46154%0.535SS..Hα-helixtrans-61.5-40.6177.4-72.9168.3000111.8R357 E358 R363 E364 I365R357-L361 WeakPolarHBondContact O-CG 3.06Å; R357-L361 PolarHBondContact O-N 3.41Å; E358-L361 PolarHBondContact O-N 3.33Å; L361-R363 PolarHBondContact O-N 3.37Å; L361-E364 PolarHBondContact O-N 3.36Å; L361-I365 WeakPolarHBondContact O-CB 3.07Å; L361-I365 WeakPolarHBondContact O-CG1 3.5Å; L361-I365 PolarHBondContact O-N 3.1Å
362H81.6Confident82.6Confident127 Ų127107.6 Ų107.659%0.58853%0.53SS*.Hα-helixtrans-60.7-43175.4-85.575.8000112.3E358 K360 I365 Q366E358-H362 WeakPolarHBondContact O-CB 3.47Å; E358-H362 PolarHBondContact O-N 2.91Å; E358-H362 PolarHBondContact O-ND1 3.47Å; K360-H362 VanDerWaalsContact C-N 3.33Å; K360-H362 PolarHBondContact O-N 2.71Å; H362-I365 PolarHBondContact O-N 3.2Å; H362-Q366 VanDerWaalsContact O-CB 3.29Å; H362-Q366 WeakPolarHBondContact O-CB 3.35Å; H362-Q366 PolarHBondContact O-N 3.43Å
363R85.2Confident83.4Confident151 Ų151103.3 Ų103.357%0.5752%0.521SS*.Hα-helixtrans-64.6-40175.8-81.6-177.7-79.3167.2-11.5112.2G359 K360 L361 Q366 N367G359-R363 PolarHBondContact O-N 3.33Å; G359-R363 PolarHBondContact O-NE 3.43Å; G359-R363 VanDerWaalsContact O-NE 3.07Å; K360-R363 PolarHBondContact O-N 3.36Å; L361-R363 PolarHBondContact O-N 3.37Å; R363-Q366 PolarHBondContact O-N 3.48Å; R363-N367 VanDerWaalsContact O-CG 3.25Å; R363-N367 PolarHBondContact O-N 2.94Å; R363-N367 PolarHBondContact O-OD1 3.17Å
364E87.6Confident83.9Confident121 Ų121103 Ų10357%0.56552%0.52SS*.Hα-helixtrans-67.3-42.5178.2-144.5167.2-147.500111.6K360 L361 Q366 N367 L368K360-E364 PolarHBondContact O-N 2.94Å; L361-E364 PolarHBondContact O-N 3.36Å; E364-Q366 VanDerWaalsContact C-N 3.33Å; E364-Q366 PolarHBondContact O-N 2.83Å; E364-N367 PolarHBondContact O-N 2.92Å; E364-L368 WeakPolarHBondContact O-CB 3.46Å; E364-L368 WeakPolarHBondContact O-CG 3.2Å; E364-L368 PolarHBondContact O-N 3.11Å
365I83.4Confident84.7Confident90 Ų90105.8 Ų105.846%0.46253%0.529SS..Hα-helixtrans-61.6-41.9172.5-68.7166.1000110.3L361 H362 L368 M369L361-I365 WeakPolarHBondContact O-CB 3.07Å; L361-I365 WeakPolarHBondContact O-CG1 3.5Å; L361-I365 PolarHBondContact O-N 3.1Å; H362-I365 PolarHBondContact O-N 3.2Å; I365-L368 PolarHBondContact O-N 3.31Å; I365-M369 HydrophobicContact CG2-CE 3.89Å; I365-M369 HydrophobicContact CG2-CG 4.41Å; I365-M369 HydrophobicContact CG2-SD 4.29Å; I365-M369 WeakPolarHBondContact O-CB 3.22Å; I365-M369 VanDerWaalsContact O-CG 3.28Å; I365-M369 WeakPolarHBondContact O-CG 3.35Å; I365-M369 PolarHBondContact O-N 3.05Å
366Q86Confident85.2Confident122 Ų122110.6 Ų110.657%0.5754%0.536SS*.Hα-helixtrans-64-44.1178.1-163.31695.900112.4H362 R363 E364 L368 M369 E370H362-Q366 VanDerWaalsContact O-CB 3.29Å; H362-Q366 WeakPolarHBondContact O-CB 3.35Å; H362-Q366 PolarHBondContact O-N 3.43Å; R363-Q366 PolarHBondContact O-N 3.48Å; E364-Q366 VanDerWaalsContact C-N 3.33Å; E364-Q366 PolarHBondContact O-N 2.83Å; Q366-L368 PolarHBondContact O-N 2.98Å; Q366-M369 HydrophobicContact CB-CE 4.34Å; Q366-M369 PolarHBondContact O-N 3.35Å; Q366-E370 PolarHBondContact O-N 3.41Å
367N88.1Confident85.6Confident98 Ų98108.8 Ų108.852%0.52453%0.532SS..Hα-helixtrans-64-39.3174.2-67.8-10.6000112.1R363 E364 E370 T371R363-N367 VanDerWaalsContact O-CG 3.25Å; R363-N367 PolarHBondContact O-N 2.94Å; R363-N367 PolarHBondContact O-OD1 3.17Å; E364-N367 PolarHBondContact O-N 2.92Å; N367-E370 PolarHBondContact O-N 3.47Å; N367-T371 WeakPolarHBondContact O-CG2 3.41Å; N367-T371 PolarHBondContact O-N 3.29Å; N367-T371 PolarHBondContact O-OG1 3.43Å
368L87.1Confident86.2Confident106 Ų106105.8 Ų105.856%0.55553%0.525SS*.Hα-helixtrans-68.1-33.5175.5-75.3172.3000112.5E364 I365 Q366 T371 N372E364-L368 WeakPolarHBondContact O-CB 3.46Å; E364-L368 WeakPolarHBondContact O-CG 3.2Å; E364-L368 PolarHBondContact O-N 3.11Å; I365-L368 PolarHBondContact O-N 3.31Å; Q366-L368 PolarHBondContact O-N 2.98Å; L368-T371 WeakPolarHBondContact CA-OG1 3.32Å; L368-T371 PolarHBondContact O-OG1 3.2Å; L368-T371 VanDerWaalsContact O-OG1 3.08Å; L368-N372 VanDerWaalsContact O-CB 3.3Å; L368-N372 WeakPolarHBondContact O-CB 3.42Å; L368-N372 PolarHBondContact O-N 3.45Å; L368-N372 PolarHBondContact O-ND2 3.48Å
369M86.8Confident86.7Confident117 Ų117103.9 Ų103.958%0.57652%0.52SS*.Hα-helixtrans-67.4-42.4173.2-75.6-172.9-62.700111.4I365 Q366 N372 G373I365-M369 HydrophobicContact CG2-CE 3.89Å; I365-M369 HydrophobicContact CG2-CG 4.41Å; I365-M369 HydrophobicContact CG2-SD 4.29Å; I365-M369 WeakPolarHBondContact O-CB 3.22Å; I365-M369 VanDerWaalsContact O-CG 3.28Å; I365-M369 WeakPolarHBondContact O-CG 3.35Å; I365-M369 PolarHBondContact O-N 3.05Å; Q366-M369 HydrophobicContact CB-CE 4.34Å; Q366-M369 PolarHBondContact O-N 3.35Å; M369-N372 PolarHBondContact O-N 3.21Å; M369-G373 PolarHBondContact O-N 3.31Å
370E88.9Confident87.1Confident125 Ų125108.4 Ų108.458%0.58453%0.534SS*.Hα-helixtrans-66.8-44.3179.6-161.4170.5-157.200111.9Q366 N367 G373 Q374Q366-E370 PolarHBondContact O-N 3.41Å; N367-E370 PolarHBondContact O-N 3.47Å; E370-G373 PolarHBondContact O-N 3.07Å; E370-G373 VanDerWaalsContact O-N 3.17Å; E370-Q374 WeakPolarHBondContact O-CG 3.42Å; E370-Q374 PolarHBondContact O-N 3.37Å
371T89.1Confident87.4Confident63 Ų63107.9 Ų107.939%0.38753%0.533SS..Hα-helixtrans-65.1-39.2174.449.40000112.6N367 L368 G373 Q374 L375N367-T371 WeakPolarHBondContact O-CG2 3.41Å; N367-T371 PolarHBondContact O-N 3.29Å; N367-T371 PolarHBondContact O-OG1 3.43Å; L368-T371 WeakPolarHBondContact CA-OG1 3.32Å; L368-T371 PolarHBondContact O-OG1 3.2Å; L368-T371 VanDerWaalsContact O-OG1 3.08Å; T371-G373 VanDerWaalsContact C-N 3.3Å; T371-G373 PolarHBondContact O-N 2.96Å; T371-Q374 PolarHBondContact O-N 3.34Å; T371-L375 WeakPolarHBondContact O-CG 3.23Å; T371-L375 PolarHBondContact O-N 3.33Å
372N84.6Confident87.6Confident89 Ų89108.5 Ų108.548%0.47654%0.536SS..Hα-helixtrans-61.4-39171-105-55.4000112.2L368 M369 L375 R376L368-N372 VanDerWaalsContact O-CB 3.3Å; L368-N372 WeakPolarHBondContact O-CB 3.42Å; L368-N372 PolarHBondContact O-N 3.45Å; L368-N372 PolarHBondContact O-ND2 3.48Å; M369-N372 PolarHBondContact O-N 3.21Å; N372-L375 PolarHBondContact O-N 2.85Å; N372-R376 WeakPolarHBondContact O-CB 3.49Å; N372-R376 VanDerWaalsContact O-CG 3.31Å; N372-R376 WeakPolarHBondContact O-CG 3.5Å; N372-R376 PolarHBondContact O-N 3Å
373G90.1Very high88Confident40 Ų40107.5 Ų107.541%0.41253%0.532SS..Hα-helixtrans-60.5-46.3175.100000112.2M369 E370 T371 R376 S377M369-G373 PolarHBondContact O-N 3.31Å; E370-G373 PolarHBondContact O-N 3.07Å; E370-G373 VanDerWaalsContact O-N 3.17Å; T371-G373 VanDerWaalsContact C-N 3.3Å; T371-G373 PolarHBondContact O-N 2.96Å; G373-R376 PolarHBondContact O-N 3.38Å; G373-S377 PolarHBondContact O-N 3.03Å
374Q89.1Confident88.2Confident130 Ų130104.4 Ų104.461%0.60753%0.533SS*.Hα-helixtrans-63.3-42.9176.9-68.6176.32.900112.4E370 T371 S377 K378E370-Q374 WeakPolarHBondContact O-CG 3.42Å; E370-Q374 PolarHBondContact O-N 3.37Å; T371-Q374 PolarHBondContact O-N 3.34Å; Q374-S377 PolarHBondContact O-N 3.27Å; Q374-K378 PolarHBondContact O-N 3.23Å
375L87.7Confident88.3Confident113 Ų113106.5 Ų106.559%0.59254%0.536SS*.Hα-helixtrans-64.7-40.2177.1-73.3171.6000112T371 N372 K378 V379T371-L375 WeakPolarHBondContact O-CG 3.23Å; T371-L375 PolarHBondContact O-N 3.33Å; N372-L375 PolarHBondContact O-N 2.85Å; L375-K378 WeakPolarHBondContact O-CB 3.35Å; L375-K378 PolarHBondContact O-N 3.47Å; L375-V379 WeakPolarHBondContact O-CG2 3.48Å; L375-V379 PolarHBondContact O-N 3.04Å
376R87.7Confident88.6Confident177 Ų177105.5 Ų105.567%0.66854%0.536SS*.Hα-helixtrans-61-46.2174.7-76.7177.6-179-137.51.8112N372 G373 K378 V379 E380N372-R376 WeakPolarHBondContact O-CB 3.49Å; N372-R376 VanDerWaalsContact O-CG 3.31Å; N372-R376 WeakPolarHBondContact O-CG 3.5Å; N372-R376 PolarHBondContact O-N 3Å; G373-R376 PolarHBondContact O-N 3.38Å; R376-K378 VanDerWaalsContact C-N 3.29Å; R376-K378 PolarHBondContact O-N 2.88Å; R376-V379 PolarHBondContact O-N 2.78Å; R376-V379 VanDerWaalsContact O-N 3.16Å; R376-E380 WeakPolarHBondContact O-CG 3.39Å; R376-E380 PolarHBondContact O-N 3.26Å
377S89.3Confident88.8Confident70 Ų70106 Ų10649%0.4954%0.536SS..Hα-helixtrans-60.7-39.2175.9-178.50000112.1G373 Q374 V379 E380 E381G373-S377 PolarHBondContact O-N 3.03Å; Q374-S377 PolarHBondContact O-N 3.27Å; S377-V379 PolarHBondContact O-N 2.87Å; S377-E380 PolarHBondContact O-N 3.39Å; S377-E381 WeakPolarHBondContact O-CB 3.45Å; S377-E381 PolarHBondContact O-N 3.27Å
378K90.8Very high88.9Confident124 Ų124104.6 Ų104.654%0.53953%0.534SS..Hα-helixtrans-63.4-40175.1-15780.4176.1177.40112.5Q374 L375 R376 L382Q374-K378 PolarHBondContact O-N 3.23Å; L375-K378 WeakPolarHBondContact O-CB 3.35Å; L375-K378 PolarHBondContact O-N 3.47Å; R376-K378 VanDerWaalsContact C-N 3.29Å; R376-K378 PolarHBondContact O-N 2.88Å; K378-L382 WeakPolarHBondContact O-CG 3.45Å; K378-L382 PolarHBondContact O-N 3.22Å; K378-L382 VanDerWaalsContact O-N 3.07Å
379V87.7Confident88.9Confident76 Ų76104.4 Ų104.446%0.46153%0.53SS..Hα-helixtrans-65.5-46176.6170.50000110.3L375 R376 S377 E381 L382 E383L375-V379 WeakPolarHBondContact O-CG2 3.48Å; L375-V379 PolarHBondContact O-N 3.04Å; R376-V379 PolarHBondContact O-N 2.78Å; R376-V379 VanDerWaalsContact O-N 3.16Å; S377-V379 PolarHBondContact O-N 2.87Å; V379-E381 VanDerWaalsContact C-N 3.33Å; V379-E381 PolarHBondContact O-N 2.87Å; V379-L382 PolarHBondContact O-N 3.17Å; V379-E383 HydrophobicContact CG1-CG 4.37Å; V379-E383 WeakPolarHBondContact O-CB 3.47Å; V379-E383 WeakPolarHBondContact O-CG 3.2Å; V379-E383 PolarHBondContact O-N 3.25Å
380E90.4Very high88.9Confident125 Ų125105.1 Ų105.158%0.58453%0.532SS*.Hα-helixtrans-60.2-40.8176.7-72.7173.3179.500112.4R376 S377 E383 C384R376-E380 WeakPolarHBondContact O-CG 3.39Å; R376-E380 PolarHBondContact O-N 3.26Å; S377-E380 PolarHBondContact O-N 3.39Å; E380-E383 PolarHBondContact O-N 3.31Å; E380-C384 PolarHBondContact O-N 3.37Å
381E91.6Very high89.1Confident113 Ų113105 Ų10553%0.52853%0.531SS..Hα-helixtrans-62.4-45.6175.7-167.6-172177.800111.6S377 V379 C384 R385S377-E381 WeakPolarHBondContact O-CB 3.45Å; S377-E381 PolarHBondContact O-N 3.27Å; V379-E381 VanDerWaalsContact C-N 3.33Å; V379-E381 PolarHBondContact O-N 2.87Å; E381-C384 PolarHBondContact O-N 3.32Å; E381-R385 WeakPolarHBondContact O-CB 3.28Å; E381-R385 PolarHBondContact O-N 3.32Å
382L88.1Confident89.2Confident101 Ų101107.3 Ų107.353%0.52954%0.538SS..Hα-helixtrans-66.6-38.4177.6-72.5172.7000112.3K378 V379 R385 C386K378-L382 WeakPolarHBondContact O-CG 3.45Å; K378-L382 PolarHBondContact O-N 3.22Å; K378-L382 VanDerWaalsContact O-N 3.07Å; V379-L382 PolarHBondContact O-N 3.17Å; L382-R385 PolarHBondContact O-N 2.95Å; L382-C386 WeakPolarHBondContact O-CB 3.47Å; L382-C386 PolarHBondContact O-N 3.31Å
383E88.7Confident89.4Confident106 Ų106107.4 Ų107.450%0.49554%0.537SS..Hα-helixtrans-63.8-43.4175.2-77-177.1179.400111.9V379 E380 R385 C386 K387V379-E383 HydrophobicContact CG1-CG 4.37Å; V379-E383 WeakPolarHBondContact O-CB 3.47Å; V379-E383 WeakPolarHBondContact O-CG 3.2Å; V379-E383 PolarHBondContact O-N 3.25Å; E380-E383 PolarHBondContact O-N 3.31Å; E383-R385 VanDerWaalsContact C-N 3.31Å; E383-R385 PolarHBondContact O-N 2.81Å; E383-C386 PolarHBondContact O-N 3.03Å; E383-K387 WeakPolarHBondContact O-CG 3.4Å; E383-K387 PolarHBondContact O-N 3.22Å
384C89.5Confident89.6Confident87 Ų87111.7 Ų111.759%0.58855%0.545SS*.Hα-helixtrans-60.1-42.3173.1-84.70000111.7E380 E381 K387 S388E380-C384 PolarHBondContact O-N 3.37Å; E381-C384 PolarHBondContact O-N 3.32Å; C384-K387 PolarHBondContact O-N 3.31Å; C384-S388 PolarHBondContact O-N 3.36Å
385R90.8Very high89.7Confident165 Ų165110 Ų11062%0.62354%0.537SS*.Hα-helixtrans-66-40.5179-150.5172.8-177.1-179.60.2112E381 L382 E383 S388 Q389E381-R385 WeakPolarHBondContact O-CB 3.28Å; E381-R385 PolarHBondContact O-N 3.32Å; L382-R385 PolarHBondContact O-N 2.95Å; E383-R385 VanDerWaalsContact C-N 3.31Å; E383-R385 PolarHBondContact O-N 2.81Å; R385-S388 PolarHBondContact O-N 3.47Å; R385-Q389 WeakPolarHBondContact O-CG 3.5Å; R385-Q389 PolarHBondContact O-N 3.21Å
386C89Confident89.9Confident69 Ų69109.9 Ų109.947%0.46654%0.536SS..Hα-helixtrans-61.3-45.1173.7-113.50000111.8L382 E383 Q389 Q390L382-C386 WeakPolarHBondContact O-CB 3.47Å; L382-C386 PolarHBondContact O-N 3.31Å; E383-C386 PolarHBondContact O-N 3.03Å; C386-Q389 PolarHBondContact O-N 3.23Å; C386-Q390 WeakPolarHBondContact O-CB 3.46Å; C386-Q390 WeakPolarHBondContact O-CG 3.17Å; C386-Q390 PolarHBondContact O-N 3.01Å
387K89.4Confident90Very high132 Ų132108 Ų10857%0.57453%0.533SS*.Hα-helixtrans-62-43.5176.5-73.2174.2-177.4170.80111.8E383 C384 Q390 Q391E383-K387 WeakPolarHBondContact O-CG 3.4Å; E383-K387 PolarHBondContact O-N 3.22Å; C384-K387 PolarHBondContact O-N 3.31Å; K387-Q390 PolarHBondContact O-N 3.17Å; K387-Q391 PolarHBondContact O-N 3.32Å
388S89.7Confident90.2Very high69 Ų69109.5 Ų109.548%0.48353%0.533SS..Hα-helixtrans-61.9-43.2175.9175.20000112.3C384 R385 Q391 Q392C384-S388 PolarHBondContact O-N 3.36Å; R385-S388 PolarHBondContact O-N 3.47Å; S388-Q391 WeakPolarHBondContact O-CB 3.46Å; S388-Q391 PolarHBondContact O-N 3.1Å; S388-Q392 PolarHBondContact O-N 2.9Å
389Q88.6Confident90.3Very high102 Ų102109.3 Ų109.348%0.47753%0.533SS..Hα-helixtrans-66.6-37.8176.1-73.8178.6-24.500112.5R385 C386 Q391 Q392 I393R385-Q389 WeakPolarHBondContact O-CG 3.5Å; R385-Q389 PolarHBondContact O-N 3.21Å; C386-Q389 PolarHBondContact O-N 3.23Å; Q389-Q391 VanDerWaalsContact C-N 3.33Å; Q389-Q391 PolarHBondContact O-N 3.25Å; Q389-Q392 PolarHBondContact O-N 3.36Å; Q389-I393 VanDerWaalsContact O-CG1 3.28Å; Q389-I393 WeakPolarHBondContact O-CG1 3.39Å; Q389-I393 PolarHBondContact O-N 2.96Å
390Q86.9Confident90.4Very high132 Ų132111.1 Ų111.162%0.61754%0.54SS*.Hα-helixtrans-62.2-40.5173.5-77.5177.4-8.800111.9C386 K387 I393 F394C386-Q390 WeakPolarHBondContact O-CB 3.46Å; C386-Q390 WeakPolarHBondContact O-CG 3.17Å; C386-Q390 PolarHBondContact O-N 3.01Å; K387-Q390 PolarHBondContact O-N 3.17Å; Q390-I393 PolarHBondContact O-N 3.07Å; Q390-F394 PolarHBondContact O-N 3.29Å
391Q92.1Very high90.4Very high121 Ų121109.2 Ų109.257%0.56554%0.537SS*.Hα-helixtrans-61.1-48.1175.2-160.487.717.100111.2K387 S388 Q389 I393 F394 E395K387-Q391 PolarHBondContact O-N 3.32Å; S388-Q391 WeakPolarHBondContact O-CB 3.46Å; S388-Q391 PolarHBondContact O-N 3.1Å; Q389-Q391 VanDerWaalsContact C-N 3.33Å; Q389-Q391 PolarHBondContact O-N 3.25Å; Q391-I393 PolarHBondContact O-N 3.07Å; Q391-F394 WeakPolarHBondContact O-CB 3.41Å; Q391-F394 PolarHBondContact O-N 3.13Å; Q391-F394 VanDerWaalsContact O-N 3.12Å; Q391-E395 PolarHBondContact O-N 3.18Å
392Q91.4Very high90.5Very high113 Ų113108.6 Ų108.653%0.52854%0.537SS..Hα-helixtrans-60.4-42176.3-93.2-178.3-21.300112.9S388 Q389 F394 E395 L396S388-Q392 PolarHBondContact O-N 2.9Å; Q389-Q392 PolarHBondContact O-N 3.36Å; Q392-F394 VanDerWaalsContact C-N 3.27Å; Q392-F394 PolarHBondContact O-N 3.43Å; Q392-E395 PolarHBondContact O-N 3.02Å; Q392-L396 WeakPolarHBondContact O-CB 3.22Å; Q392-L396 WeakPolarHBondContact O-CG 3.44Å; Q392-L396 PolarHBondContact O-N 3.38Å
393I88.4Confident90.6Very high90 Ų90106.7 Ų106.746%0.46253%0.533SS..Hα-helixtrans-63.2-37.5176.6-70.6166.6000110.6Q389 Q390 Q391 K397Q389-I393 VanDerWaalsContact O-CG1 3.28Å; Q389-I393 WeakPolarHBondContact O-CG1 3.39Å; Q389-I393 PolarHBondContact O-N 2.96Å; Q390-I393 PolarHBondContact O-N 3.07Å; Q391-I393 PolarHBondContact O-N 3.07Å; I393-K397 HydrophobicContact CG2-CD 4.16Å; I393-K397 WeakPolarHBondContact O-CB 3.4Å; I393-K397 VanDerWaalsContact O-CG 3.25Å; I393-K397 WeakPolarHBondContact O-CG 3.45Å; I393-K397 PolarHBondContact O-N 3.34Å
394F93.9Very high90.7Very high131 Ų131104.5 Ų104.558%0.57553%0.526SS*.Hα-helixtrans-65.5-46.8177.1-179.3-93.4000111.8Q390 Q391 Q392 K397 Q398Q390-F394 PolarHBondContact O-N 3.29Å; Q391-F394 WeakPolarHBondContact O-CB 3.41Å; Q391-F394 PolarHBondContact O-N 3.13Å; Q391-F394 VanDerWaalsContact O-N 3.12Å; Q392-F394 VanDerWaalsContact C-N 3.27Å; Q392-F394 PolarHBondContact O-N 3.43Å; F394-K397 WeakPolarHBondContact O-CB 3.42Å; F394-K397 PolarHBondContact O-N 3.2Å; F394-Q398 PolarHBondContact O-N 3.1Å
395E92.8Very high90.8Very high95 Ų95103 Ų10344%0.44452%0.521SS..Hα-helixtrans-60.2-48177-71.9168.8-176.300111.5Q391 Q392 K397 Q398 E399Q391-E395 PolarHBondContact O-N 3.18Å; Q392-E395 PolarHBondContact O-N 3.02Å; E395-K397 VanDerWaalsContact C-N 3.31Å; E395-K397 PolarHBondContact O-N 3.44Å; E395-Q398 WeakPolarHBondContact O-CB 3.5Å; E395-Q398 PolarHBondContact O-N 3.1Å; E395-E399 PolarHBondContact O-N 2.86Å
396L90.9Very high90.9Very high109 Ų109100.1 Ų100.157%0.57151%0.514SS*.Hα-helixtrans-61.9-37.3176.8-73.3171.1000112.6Q392 Q398 L400Q392-L396 WeakPolarHBondContact O-CB 3.22Å; Q392-L396 WeakPolarHBondContact O-CG 3.44Å; Q392-L396 PolarHBondContact O-N 3.38Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-L400 VanDerWaalsContact O-CB 3.31Å; L396-L400 WeakPolarHBondContact O-CB 3.39Å; L396-L400 PolarHBondContact O-N 3.36Å
397K89.8Confident90.9Very high138 Ų138102.2 Ų102.260%0.652%0.52SS*.Hα-helixtrans-63.7-41173.6-80.5176.7178.6-177.50111.2I393 F394 E395 L400 T401I393-K397 HydrophobicContact CG2-CD 4.16Å; I393-K397 WeakPolarHBondContact O-CB 3.4Å; I393-K397 VanDerWaalsContact O-CG 3.25Å; I393-K397 WeakPolarHBondContact O-CG 3.45Å; I393-K397 PolarHBondContact O-N 3.34Å; F394-K397 WeakPolarHBondContact O-CB 3.42Å; F394-K397 PolarHBondContact O-N 3.2Å; E395-K397 VanDerWaalsContact C-N 3.31Å; E395-K397 PolarHBondContact O-N 3.44Å; K397-L400 PolarHBondContact O-N 3.02Å; K397-T401 WeakPolarHBondContact O-CG2 3.48Å; K397-T401 PolarHBondContact O-N 2.83Å; K397-T401 PolarHBondContact O-OG1 3.34Å
398Q93.1Very high91.1Very high102 Ų102102.6 Ų102.648%0.47752%0.522SS..Hα-helixtrans-65.6-45.8178.2-167.7172.814.900111.4F394 E395 L396 L400 T401 N402F394-Q398 PolarHBondContact O-N 3.1Å; E395-Q398 WeakPolarHBondContact O-CB 3.5Å; E395-Q398 PolarHBondContact O-N 3.1Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; Q398-L400 VanDerWaalsContact C-N 3.34Å; Q398-L400 PolarHBondContact O-N 3.35Å; Q398-T401 WeakPolarHBondContact CA-OG1 3.32Å; Q398-T401 PolarHBondContact O-N 3.27Å; Q398-T401 PolarHBondContact O-OG1 2.98Å; Q398-N402 PolarHBondContact O-N 3.5Å
399E93Very high91.3Very high119 Ų119104.3 Ų104.356%0.55652%0.523SS*.Hα-helixtrans-60.4-41.5175-72.1-177.9172.600112.5E395 N402 S403E395-E399 PolarHBondContact O-N 2.86Å; E399-N402 PolarHBondContact O-N 3.04Å; E399-S403 WeakPolarHBondContact O-CB 3.43Å; E399-S403 PolarHBondContact O-N 2.84Å; E399-S403 PolarHBondContact O-OG 3.03Å
400L89.9Confident91.4Very high115 Ų115106.7 Ų106.760%0.60253%0.528SS*.Hα-helixtrans-62.2-44.2175.6-175.767.7000111L396 K397 Q398 S403 T404L396-L400 VanDerWaalsContact O-CB 3.31Å; L396-L400 WeakPolarHBondContact O-CB 3.39Å; L396-L400 PolarHBondContact O-N 3.36Å; K397-L400 PolarHBondContact O-N 3.02Å; Q398-L400 VanDerWaalsContact C-N 3.34Å; Q398-L400 PolarHBondContact O-N 3.35Å; L400-S403 PolarHBondContact O-N 3.4Å; L400-T404 VanDerWaalsContact O-CB 3.32Å; L400-T404 WeakPolarHBondContact O-CB 3.3Å; L400-T404 PolarHBondContact O-N 3.48Å; L400-T404 PolarHBondContact O-OG1 3.06Å
401T90.6Very high91.5Very high85 Ų85105.3 Ų105.352%0.52152%0.524SS..Hα-helixtrans-63.6-41.3177.553.90000112.4K397 Q398 T404 A405K397-T401 WeakPolarHBondContact O-CG2 3.48Å; K397-T401 PolarHBondContact O-N 2.83Å; K397-T401 PolarHBondContact O-OG1 3.34Å; Q398-T401 WeakPolarHBondContact CA-OG1 3.32Å; Q398-T401 PolarHBondContact O-N 3.27Å; Q398-T401 PolarHBondContact O-OG1 2.98Å; T401-T404 PolarHBondContact O-N 3.43Å; T401-A405 WeakPolarHBondContact O-CB 3.5Å; T401-A405 PolarHBondContact O-N 3.37Å
402N93Very high91.6Very high100 Ų100104.7 Ų104.754%0.53552%0.523SS..Hα-helixtrans-64.7-47.8177.1-72.3-11.4000111.3Q398 E399 T404 A405 E406Q398-N402 PolarHBondContact O-N 3.5Å; E399-N402 PolarHBondContact O-N 3.04Å; N402-T404 VanDerWaalsContact C-N 3.29Å; N402-T404 PolarHBondContact O-N 3.06Å; N402-A405 PolarHBondContact O-N 3.49Å; N402-E406 PolarHBondContact O-N 2.85Å
403S90.8Very high91.6Very high61 Ų61105.5 Ų105.543%0.42752%0.524SS..Hα-helixtrans-61.1-40177.7-58.40000111.6E399 L400 E406 L407E399-S403 WeakPolarHBondContact O-CB 3.43Å; E399-S403 PolarHBondContact O-N 2.84Å; E399-S403 PolarHBondContact O-OG 3.03Å; L400-S403 PolarHBondContact O-N 3.4Å; S403-E406 PolarHBondContact O-N 2.85Å; S403-L407 WeakPolarHBondContact O-CB 3.36Å; S403-L407 VanDerWaalsContact O-CG 3.3Å; S403-L407 WeakPolarHBondContact O-CG 3.2Å; S403-L407 PolarHBondContact O-N 2.88Å
404T91.1Very high91.6Very high60 Ų60103.8 Ų103.837%0.36852%0.523SS..Hα-helixtrans-65.6-41.1177.2-53.30000111.5L400 T401 N402 K408L400-T404 VanDerWaalsContact O-CB 3.32Å; L400-T404 WeakPolarHBondContact O-CB 3.3Å; L400-T404 PolarHBondContact O-N 3.48Å; L400-T404 PolarHBondContact O-OG1 3.06Å; T401-T404 PolarHBondContact O-N 3.43Å; N402-T404 VanDerWaalsContact C-N 3.29Å; N402-T404 PolarHBondContact O-N 3.06Å; T404-K408 WeakPolarHBondContact O-CG 3.29Å; T404-K408 PolarHBondContact O-N 3.46Å
405A91.5Very high91.4Very high56 Ų56102.7 Ų102.746%0.46352%0.52SS..Hα-helixtrans-65.6-41.3176.200000111.8T401 N402 K408 M409T401-A405 WeakPolarHBondContact O-CB 3.5Å; T401-A405 PolarHBondContact O-N 3.37Å; N402-A405 PolarHBondContact O-N 3.49Å; A405-K408 PolarHBondContact O-N 3.31Å; A405-M409 PolarHBondContact O-N 2.99Å
406E93.3Very high91.4Very high104 Ų104103.5 Ų103.549%0.48653%0.527SS..Hα-helixtrans-65.7-42.6178.3-159.5-174.9168.500111.9N402 S403 K408 M409 R410N402-E406 PolarHBondContact O-N 2.85Å; S403-E406 PolarHBondContact O-N 2.85Å; E406-K408 PolarHBondContact O-N 3.46Å; E406-M409 PolarHBondContact O-N 2.99Å; E406-R410 WeakPolarHBondContact O-CG 3.34Å; E406-R410 PolarHBondContact O-N 3.32Å; E406-R410 IonicContact OE1-CZ 2.79Å; E406-R410 IonicContact OE1-NE 3.86Å; E406-R410 IonicContact OE1-NH2 3.38Å; E406-R410 PolarHBondContact OE1-NH2 3.37Å
407L89.5Confident91.4Very high112 Ų112107 Ų10759%0.58653%0.533SS*.Hα-helixtrans-62.2-41.3174.4-73.2172.8000112S403 M409 R410 L411S403-L407 WeakPolarHBondContact O-CB 3.36Å; S403-L407 VanDerWaalsContact O-CG 3.3Å; S403-L407 WeakPolarHBondContact O-CG 3.2Å; S403-L407 PolarHBondContact O-N 2.88Å; L407-M409 VanDerWaalsContact C-N 3.35Å; L407-M409 PolarHBondContact O-N 3.18Å; L407-R410 PolarHBondContact O-N 2.87Å; L407-L411 WeakPolarHBondContact O-CB 3.41Å; L407-L411 PolarHBondContact O-N 2.91Å
408K92.5Very high91.4Very high141 Ų141105 Ų10561%0.61353%0.529SS*.Hα-helixtrans-61-42174.4-77.4178.2178-177.10112.2T404 A405 E406 L411 M412T404-K408 WeakPolarHBondContact O-CG 3.29Å; T404-K408 PolarHBondContact O-N 3.46Å; A405-K408 PolarHBondContact O-N 3.31Å; E406-K408 PolarHBondContact O-N 3.46Å; K408-L411 PolarHBondContact O-N 3.19Å; K408-M412 WeakPolarHBondContact O-CB 3.42Å; K408-M412 PolarHBondContact O-N 3.23Å
409M93.4Very high91.3Very high105 Ų105104.7 Ų104.752%0.51753%0.527SS..Hα-helixtrans-65.3-38.5176.1-79.5-66.1-69.200112.5A405 E406 L407 K413A405-M409 PolarHBondContact O-N 2.99Å; E406-M409 PolarHBondContact O-N 2.99Å; L407-M409 VanDerWaalsContact C-N 3.35Å; L407-M409 PolarHBondContact O-N 3.18Å; M409-K413 WeakPolarHBondContact O-CG 3.38Å; M409-K413 PolarHBondContact O-N 3.39Å
410R92.2Very high91.2Very high152 Ų152101.4 Ų101.457%0.57452%0.517SS*.Hα-helixtrans-67.5-40.4175.4-71-179.6-171.11803.9111.8E406 L407 K413 A414E406-R410 WeakPolarHBondContact O-CG 3.34Å; E406-R410 PolarHBondContact O-N 3.32Å; E406-R410 IonicContact OE1-CZ 2.79Å; E406-R410 IonicContact OE1-NE 3.86Å; E406-R410 IonicContact OE1-NH2 3.38Å; E406-R410 PolarHBondContact OE1-NH2 3.37Å; L407-R410 PolarHBondContact O-N 2.87Å; R410-K413 PolarHBondContact O-N 3.02Å; R410-A414 WeakPolarHBondContact O-CB 3.38Å; R410-A414 PolarHBondContact O-N 3.49Å
411L88.4Confident91.1Very high103 Ų103101.4 Ų101.454%0.53951%0.514SS..Hα-helixtrans-59.2-52174.4-17477.5000110.5L407 K408 K413 A414 E415L407-L411 WeakPolarHBondContact O-CB 3.41Å; L407-L411 PolarHBondContact O-N 2.91Å; K408-L411 PolarHBondContact O-N 3.19Å; L411-K413 VanDerWaalsContact C-N 3.33Å; L411-K413 PolarHBondContact O-N 2.92Å; L411-A414 WeakPolarHBondContact O-CA 3.4Å; L411-A414 WeakPolarHBondContact O-CB 3.49Å; L411-A414 PolarHBondContact O-N 3.38Å; L411-E415 HydrophobicContact CG-CG 4.5Å; L411-E415 WeakPolarHBondContact O-CG 3.36Å; L411-E415 PolarHBondContact O-N 3.3Å
412M93.6Very high91Very high108 Ų108102.9 Ų102.953%0.53251%0.513SS..Hα-helixtrans-58.9-42.8-179.9-169.3-179.5-69.900112.1K408 A414 E415 D416K408-M412 WeakPolarHBondContact O-CB 3.42Å; K408-M412 PolarHBondContact O-N 3.23Å; M412-A414 VanDerWaalsContact C-N 3.32Å; M412-A414 PolarHBondContact O-N 3.1Å; M412-E415 PolarHBondContact O-N 2.96Å; M412-D416 PolarHBondContact O-N 2.94Å
413K92.7Very high91Very high129 Ų129106.6 Ų106.656%0.56152%0.52SS*.Hα-helixtrans-64.2-34.4174.6-75.9179.2179.5179.90113.2M409 R410 L411 R417M409-K413 WeakPolarHBondContact O-CG 3.38Å; M409-K413 PolarHBondContact O-N 3.39Å; R410-K413 PolarHBondContact O-N 3.02Å; L411-K413 VanDerWaalsContact C-N 3.33Å; L411-K413 PolarHBondContact O-N 2.92Å; K413-R417 VanDerWaalsContact O-CG 3.29Å; K413-R417 WeakPolarHBondContact O-CG 3.32Å; K413-R417 PolarHBondContact O-N 2.92Å
414A87.7Confident91Very high54 Ų54112 Ų11245%0.44653%0.531SS..Hα-helixtrans-73.1-40.1177.300000111.3R410 L411 M412 R417 L418R410-A414 WeakPolarHBondContact O-CB 3.38Å; R410-A414 PolarHBondContact O-N 3.49Å; L411-A414 WeakPolarHBondContact O-CA 3.4Å; L411-A414 WeakPolarHBondContact O-CB 3.49Å; L411-A414 PolarHBondContact O-N 3.38Å; M412-A414 VanDerWaalsContact C-N 3.32Å; M412-A414 PolarHBondContact O-N 3.1Å; A414-R417 PolarHBondContact O-N 2.91Å; A414-L418 WeakPolarHBondContact O-CB 3.43Å; A414-L418 PolarHBondContact O-N 2.89Å
415E89.7Confident90.6Very high108 Ų108112.6 Ų112.651%0.50554%0.537SS..Hα-helixtrans-61.4-47.9174.2-72.6174.8162.900111.2L411 M412 R417 L418 E419L411-E415 HydrophobicContact CG-CG 4.5Å; L411-E415 WeakPolarHBondContact O-CG 3.36Å; L411-E415 PolarHBondContact O-N 3.3Å; M412-E415 PolarHBondContact O-N 2.96Å; E415-R417 VanDerWaalsContact C-N 3.32Å; E415-R417 PolarHBondContact O-N 3.34Å; E415-L418 WeakPolarHBondContact O-CB 3.38Å; E415-L418 PolarHBondContact O-N 2.9Å; E415-L418 VanDerWaalsContact O-N 3.17Å; E415-E419 WeakPolarHBondContact O-CB 3.49Å; E415-E419 PolarHBondContact O-N 3.02Å
416D93.6Very high90.7Very high112 Ų112116.3 Ų116.360%0.59954%0.543SS*.Hα-helixtrans-59.6-40.7176.4-85.8-7.9000112.5M412 E419 S420M412-D416 PolarHBondContact O-N 2.94Å; D416-E419 PolarHBondContact O-N 2.84Å; D416-S420 WeakPolarHBondContact O-CB 3.45Å; D416-S420 PolarHBondContact O-N 3.35Å; D416-S420 PolarHBondContact O-OG 3.02Å
417R90.5Very high90.7Very high183 Ų183117 Ų11769%0.69155%0.547SS*.Hα-helixtrans-62.5-48175.1-76.8175.2-177.3-173.1-0.2111K413 A414 E415 E419 S420 E421K413-R417 VanDerWaalsContact O-CG 3.29Å; K413-R417 WeakPolarHBondContact O-CG 3.32Å; K413-R417 PolarHBondContact O-N 2.92Å; A414-R417 PolarHBondContact O-N 2.91Å; E415-R417 VanDerWaalsContact C-N 3.32Å; E415-R417 PolarHBondContact O-N 3.34Å; R417-E419 VanDerWaalsContact C-N 3.32Å; R417-E419 PolarHBondContact O-N 3.03Å; R417-S420 PolarHBondContact O-N 2.97Å; R417-S420 PolarHBondContact O-OG 3.15Å; R417-E421 PolarHBondContact O-N 3.36Å
418L88.5Confident90.7Very high97 Ų97114.5 Ų114.551%0.50854%0.541SS..Hα-helixtrans-60.5-42.4178.1-178.365.3000111.6A414 E415 S420 E421 K422A414-L418 WeakPolarHBondContact O-CB 3.43Å; A414-L418 PolarHBondContact O-N 2.89Å; E415-L418 WeakPolarHBondContact O-CB 3.38Å; E415-L418 PolarHBondContact O-N 2.9Å; E415-L418 VanDerWaalsContact O-N 3.17Å; L418-S420 VanDerWaalsContact C-N 3.33Å; L418-S420 PolarHBondContact O-N 3.36Å; L418-E421 PolarHBondContact O-N 3.28Å; L418-K422 HydrophobicContact CG-CD 4.47Å; L418-K422 WeakPolarHBondContact O-CB 3.5Å; L418-K422 WeakPolarHBondContact O-CG 3.36Å; L418-K422 PolarHBondContact O-N 3.46Å
419E90.9Very high90.4Very high95 Ų95112.2 Ų112.244%0.44454%0.536SS..Hα-helixtrans-63-41177.4-156.671.4-160.500111E415 D416 R417 K422 R423E415-E419 WeakPolarHBondContact O-CB 3.49Å; E415-E419 PolarHBondContact O-N 3.02Å; D416-E419 PolarHBondContact O-N 2.84Å; R417-E419 VanDerWaalsContact C-N 3.32Å; R417-E419 PolarHBondContact O-N 3.03Å; E419-K422 PolarHBondContact O-N 3.49Å; E419-R423 WeakPolarHBondContact O-CG 3.35Å; E419-R423 PolarHBondContact O-N 3.44Å
420S91.9Very high90.3Very high49 Ų49111.6 Ų111.634%0.34353%0.532SS..Hα-helixtrans-66.9-40.1176.277.50000112.9D416 R417 L418 R423 R424D416-S420 WeakPolarHBondContact O-CB 3.45Å; D416-S420 PolarHBondContact O-N 3.35Å; D416-S420 PolarHBondContact O-OG 3.02Å; R417-S420 PolarHBondContact O-N 2.97Å; R417-S420 PolarHBondContact O-OG 3.15Å; L418-S420 VanDerWaalsContact C-N 3.33Å; L418-S420 PolarHBondContact O-N 3.36Å; S420-R423 PolarHBondContact O-N 2.86Å; S420-R424 WeakPolarHBondContact O-CG 3.43Å; S420-R424 PolarHBondContact O-N 2.91Å
421E88Confident90.4Very high115 Ų115109 Ų10954%0.53753%0.529SS..Hα-helixtrans-66.4-41.1177.2-153.590.7-170.100110.8R417 L418 R424 S425R417-E421 PolarHBondContact O-N 3.36Å; L418-E421 PolarHBondContact O-N 3.28Å; E421-R424 PolarHBondContact O-N 3.47Å; E421-S425 WeakPolarHBondContact O-CB 3.48Å; E421-S425 PolarHBondContact O-N 2.93Å; E421-S425 PolarHBondContact O-OG 3.38Å
422K88.8Confident90.3Very high116 Ų116108 Ų10850%0.50452%0.523SS..Hα-helixtrans-60.8-45.6174.3-79.5176.5-179.3173.70111.4L418 E419 S425 K426L418-K422 HydrophobicContact CG-CD 4.47Å; L418-K422 WeakPolarHBondContact O-CB 3.5Å; L418-K422 WeakPolarHBondContact O-CG 3.36Å; L418-K422 PolarHBondContact O-N 3.46Å; E419-K422 PolarHBondContact O-N 3.49Å; K422-S425 PolarHBondContact O-N 3.03Å; K422-K426 VanDerWaalsContact O-CB 3.3Å; K422-K426 WeakPolarHBondContact O-CB 3.31Å; K422-K426 PolarHBondContact O-N 3.2Å
423R91.6Very high90.1Very high178 Ų178108.2 Ų108.267%0.67252%0.522SS*.Hα-helixtrans-61.6-44.9176.7-74.1-179.9-173.6-177.73.3111.7E419 S420 K426 Q427E419-R423 WeakPolarHBondContact O-CG 3.35Å; E419-R423 PolarHBondContact O-N 3.44Å; S420-R423 PolarHBondContact O-N 2.86Å; R423-K426 PolarHBondContact O-N 3.18Å; R423-Q427 WeakPolarHBondContact O-CB 3.4Å; R423-Q427 PolarHBondContact O-N 3.48Å
424R91.8Very high90.1Very high175 Ų175105.7 Ų105.766%0.6652%0.518SS*.Hα-helixtrans-61.9-45.7176-73.2177.7-179176.40.2112.4S420 E421 K426 Q427 A428S420-R424 WeakPolarHBondContact O-CG 3.43Å; S420-R424 PolarHBondContact O-N 2.91Å; E421-R424 PolarHBondContact O-N 3.47Å; R424-K426 VanDerWaalsContact C-N 3.33Å; R424-K426 PolarHBondContact O-N 3.23Å; R424-Q427 PolarHBondContact O-N 3.35Å; R424-A428 WeakPolarHBondContact O-CB 3.45Å; R424-A428 PolarHBondContact O-N 3.48Å
425S83.7Confident90.3Very high72 Ų72108 Ų10850%0.50352%0.522SS..Hα-helixtrans-62.9-41.3178.3-59.90000111.6E421 K422 A428 L429E421-S425 WeakPolarHBondContact O-CB 3.48Å; E421-S425 PolarHBondContact O-N 2.93Å; E421-S425 PolarHBondContact O-OG 3.38Å; K422-S425 PolarHBondContact O-N 3.03Å; S425-A428 PolarHBondContact O-N 3.5Å; S425-L429 PolarHBondContact O-N 3.38Å
426K92.1Very high90.2Very high135 Ų135110 Ų11059%0.58753%0.525SS*.Hα-helixtrans-62.9-46.8176.4-173.9-180177.4-167.90111.4K422 R423 R424 A428 L429 E430K422-K426 VanDerWaalsContact O-CB 3.3Å; K422-K426 WeakPolarHBondContact O-CB 3.31Å; K422-K426 PolarHBondContact O-N 3.2Å; R423-K426 PolarHBondContact O-N 3.18Å; R424-K426 VanDerWaalsContact C-N 3.33Å; R424-K426 PolarHBondContact O-N 3.23Å; K426-A428 PolarHBondContact O-N 2.96Å; K426-L429 WeakPolarHBondContact O-CB 3.37Å; K426-L429 PolarHBondContact O-N 3.3Å; K426-E430 WeakPolarHBondContact CE-OE1 3.47Å; K426-E430 IonicContact NZ-OE1 3.81Å; K426-E430 WeakPolarHBondContact O-CG 3.44Å; K426-E430 PolarHBondContact O-N 3Å
427Q93.1Very high90.1Very high119 Ų119110.5 Ų110.556%0.55652%0.523SS*.Hα-helixtrans-64.7-40.5179.3-167.6164.36.600112R423 R424 L429 E430 D431R423-Q427 WeakPolarHBondContact O-CB 3.4Å; R423-Q427 PolarHBondContact O-N 3.48Å; R424-Q427 PolarHBondContact O-N 3.35Å; Q427-L429 VanDerWaalsContact C-N 3.28Å; Q427-L429 PolarHBondContact O-N 2.75Å; Q427-E430 PolarHBondContact O-N 2.79Å; Q427-D431 WeakPolarHBondContact O-CB 3.48Å; Q427-D431 VanDerWaalsContact O-CG 3.28Å; Q427-D431 PolarHBondContact O-N 3.37Å
428A90.7Very high90.3Very high58 Ų58107.9 Ų107.948%0.47952%0.517SS..Hα-helixtrans-63.1-34.5174.100000112.8R424 S425 K426 M432R424-A428 WeakPolarHBondContact O-CB 3.45Å; R424-A428 PolarHBondContact O-N 3.48Å; S425-A428 PolarHBondContact O-N 3.5Å; K426-A428 PolarHBondContact O-N 2.96Å; A428-M432 WeakPolarHBondContact O-CB 3.32Å; A428-M432 PolarHBondContact O-N 2.99Å
429L86.2Confident90.3Very high94 Ų94108.4 Ų108.449%0.49252%0.517SS..Hα-helixtrans-67.6-46.1175.1-159.294.4000111.1S425 K426 Q427 M432 E433S425-L429 PolarHBondContact O-N 3.38Å; K426-L429 WeakPolarHBondContact O-CB 3.37Å; K426-L429 PolarHBondContact O-N 3.3Å; Q427-L429 VanDerWaalsContact C-N 3.28Å; Q427-L429 PolarHBondContact O-N 2.75Å; L429-M432 PolarHBondContact O-N 2.78Å; L429-E433 WeakPolarHBondContact O-CG 3.14Å; L429-E433 PolarHBondContact O-N 3.37Å
430E91.9Very high90.3Very high92 Ų92108.6 Ų108.643%0.4352%0.524SS..Hα-helixtrans-60.2-45.2176.1-71.6172.2179.900110.9K426 Q427 M432 E433 T434K426-E430 WeakPolarHBondContact CE-OE1 3.47Å; K426-E430 IonicContact NZ-OE1 3.81Å; K426-E430 WeakPolarHBondContact O-CG 3.44Å; K426-E430 PolarHBondContact O-N 3Å; Q427-E430 PolarHBondContact O-N 2.79Å; E430-M432 PolarHBondContact O-N 3.47Å; E430-E433 PolarHBondContact O-N 3.09Å; E430-T434 WeakPolarHBondContact O-CG2 3.48Å; E430-T434 PolarHBondContact O-N 3.48Å; E430-T434 PolarHBondContact O-OG1 2.95Å
431D93.6Very high90.2Very high96 Ų96111 Ų11151%0.51353%0.53SS..Hα-helixtrans-61.2-42.8176.1-70.3-22.2000111.5Q427 T434 L435Q427-D431 WeakPolarHBondContact O-CB 3.48Å; Q427-D431 VanDerWaalsContact O-CG 3.28Å; Q427-D431 PolarHBondContact O-N 3.37Å; D431-T434 PolarHBondContact O-N 3.01Å; D431-T434 PolarHBondContact O-OG1 3.19Å; D431-L435 PolarHBondContact O-N 3.01Å
432M86.9Confident90.4Very high84 Ų84109.9 Ų109.941%0.41453%0.528SS..Hα-helixtrans-66-38.9176.7-168.7-170.57400112.4A428 L429 E430 L435 R436A428-M432 WeakPolarHBondContact O-CB 3.32Å; A428-M432 PolarHBondContact O-N 2.99Å; L429-M432 PolarHBondContact O-N 2.78Å; E430-M432 PolarHBondContact O-N 3.47Å; M432-L435 PolarHBondContact O-N 3.45Å; M432-R436 PolarHBondContact O-N 3.25Å
433E87.9Confident90.5Very high111 Ų111108.5 Ų108.552%0.51953%0.529SS..Hα-helixtrans-64.4-43.6175.8-77.6179.7177.300111.5L429 E430 L435 R436 H437L429-E433 WeakPolarHBondContact O-CG 3.14Å; L429-E433 PolarHBondContact O-N 3.37Å; E430-E433 PolarHBondContact O-N 3.09Å; E433-L435 VanDerWaalsContact C-N 3.31Å; E433-L435 PolarHBondContact O-N 3.42Å; E433-R436 PolarHBondContact O-N 3.43Å; E433-H437 WeakPolarHBondContact O-CB 3.47Å; E433-H437 PolarHBondContact O-N 3.47Å
434T93.3Very high90.4Very high77 Ų77102.7 Ų102.747%0.47252%0.516SS..Hα-helixtrans-64.2-36.9175.9640000112.2E430 D431 H437 K438E430-T434 WeakPolarHBondContact O-CG2 3.48Å; E430-T434 PolarHBondContact O-N 3.48Å; E430-T434 PolarHBondContact O-OG1 2.95Å; D431-T434 PolarHBondContact O-N 3.01Å; D431-T434 PolarHBondContact O-OG1 3.19Å; T434-H437 PolarHBondContact O-N 3.23Å; T434-K438 WeakPolarHBondContact O-CG 3.18Å; T434-K438 PolarHBondContact O-N 3.18Å; T434-K438 VanDerWaalsContact O-N 3.12Å
435L91.8Very high90.5Very high101 Ų10199.8 Ų99.853%0.52951%0.509SS..Hα-helixtrans-66.8-45.9176.6-156.4112.6000111.2D431 M432 E433 H437 K438 E439D431-L435 PolarHBondContact O-N 3.01Å; M432-L435 PolarHBondContact O-N 3.45Å; E433-L435 VanDerWaalsContact C-N 3.31Å; E433-L435 PolarHBondContact O-N 3.42Å; L435-H437 VanDerWaalsContact C-N 3.3Å; L435-H437 PolarHBondContact O-N 2.8Å; L435-K438 PolarHBondContact O-N 3.26Å; L435-E439 WeakPolarHBondContact O-CG 3.48Å; L435-E439 PolarHBondContact O-N 3.01Å
436R88Confident90.9Very high152 Ų152102.6 Ų102.657%0.57451%0.514SS*.Hα-helixtrans-59.7-40.4174.1-83.5-175.8173.3168.60.2112.3M432 E433 K438 E439 V440M432-R436 PolarHBondContact O-N 3.25Å; E433-R436 PolarHBondContact O-N 3.43Å; R436-K438 VanDerWaalsContact C-N 3.34Å; R436-K438 PolarHBondContact O-N 3.26Å; R436-E439 PolarHBondContact O-N 3.17Å; R436-V440 VanDerWaalsContact O-CG2 3.29Å; R436-V440 WeakPolarHBondContact O-CG2 3.34Å; R436-V440 PolarHBondContact O-N 3.11Å
437H91.2Very high90.7Very high122 Ų122101.1 Ų101.157%0.56551%0.512SS*.Hα-helixtrans-62.1-44.6178.5-150.968.8000111.1E433 T434 L435 E439 V440 E441E433-H437 WeakPolarHBondContact O-CB 3.47Å; E433-H437 PolarHBondContact O-N 3.47Å; T434-H437 PolarHBondContact O-N 3.23Å; L435-H437 VanDerWaalsContact C-N 3.3Å; L435-H437 PolarHBondContact O-N 2.8Å; H437-E439 PolarHBondContact O-N 2.76Å; H437-V440 PolarHBondContact O-N 3.36Å; H437-E441 IonicContact CD2-OE1 3.9Å; H437-E441 IonicContact NE2-OE1 2.81Å; H437-E441 WeakPolarHBondContact O-CG 3.36Å; H437-E441 PolarHBondContact O-N 3.35Å
438K93.9Very high90.7Very high128 Ų12899.8 Ų99.856%0.55751%0.506SS*.Hα-helixtrans-63.1-40.3174.9-72.4175.7179.6175.30113T434 L435 R436 E441 N442T434-K438 WeakPolarHBondContact O-CG 3.18Å; T434-K438 PolarHBondContact O-N 3.18Å; T434-K438 VanDerWaalsContact O-N 3.12Å; L435-K438 PolarHBondContact O-N 3.26Å; R436-K438 VanDerWaalsContact C-N 3.34Å; R436-K438 PolarHBondContact O-N 3.26Å; K438-E441 PolarHBondContact O-N 2.85Å; K438-N442 WeakPolarHBondContact O-CB 3.49Å; K438-N442 PolarHBondContact O-N 3.45Å; K438-N442 PolarHBondContact O-ND2 2.88Å
439E90.3Very high90.8Very high108 Ų108102.4 Ų102.451%0.50551%0.509SS..Hα-helixtrans-63.1-43.3175.8-73.8176.8168.800111.5L435 R436 H437 N442 V443L435-E439 WeakPolarHBondContact O-CG 3.48Å; L435-E439 PolarHBondContact O-N 3.01Å; R436-E439 PolarHBondContact O-N 3.17Å; H437-E439 PolarHBondContact O-N 2.76Å; E439-N442 PolarHBondContact O-N 3.48Å; E439-V443 VanDerWaalsContact O-CG2 3.31Å; E439-V443 WeakPolarHBondContact O-CG2 3.41Å; E439-V443 PolarHBondContact O-N 3.31Å
440V88.9Confident91Very high99 Ų99100.6 Ų100.660%0.650%0.504SS*.Hα-helixtrans-64-44.4176.4171.20000111.1R436 H437 N442 V443 S444R436-V440 VanDerWaalsContact O-CG2 3.29Å; R436-V440 WeakPolarHBondContact O-CG2 3.34Å; R436-V440 PolarHBondContact O-N 3.11Å; H437-V440 PolarHBondContact O-N 3.36Å; V440-N442 PolarHBondContact O-N 3.42Å; V440-V443 PolarHBondContact O-N 3.39Å; V440-S444 WeakPolarHBondContact O-CB 3.47Å; V440-S444 PolarHBondContact O-N 2.82Å
441E90.9Very high91Very high99 Ų99101.4 Ų101.446%0.46351%0.508SS..Hα-helixtrans-59.6-45.8175.2-77.8179.4163.600111.8H437 K438 V443 S444 Q445H437-E441 IonicContact CD2-OE1 3.9Å; H437-E441 IonicContact NE2-OE1 2.81Å; H437-E441 WeakPolarHBondContact O-CG 3.36Å; H437-E441 PolarHBondContact O-N 3.35Å; K438-E441 PolarHBondContact O-N 2.85Å; E441-V443 PolarHBondContact O-N 3.43Å; E441-S444 PolarHBondContact O-N 2.88Å; E441-Q445 WeakPolarHBondContact O-CG 3.41Å; E441-Q445 PolarHBondContact O-N 2.95Å
442N92.5Very high91Very high92 Ų92104 Ų10449%0.49251%0.51SS..Hα-helixtrans-62.5-43.5178.3-73.3-13.3000112.1K438 E439 V440 Q445 H446K438-N442 WeakPolarHBondContact O-CB 3.49Å; K438-N442 PolarHBondContact O-N 3.45Å; K438-N442 PolarHBondContact O-ND2 2.88Å; E439-N442 PolarHBondContact O-N 3.48Å; V440-N442 PolarHBondContact O-N 3.42Å; N442-Q445 PolarHBondContact O-N 2.93Å; N442-H446 PolarHBondContact O-N 3.25Å
443V90Very high91.3Very high87 Ų87102.9 Ų102.953%0.52751%0.514SS..Hα-helixtrans-65.3-41.8176.7171.50000110.6E439 V440 E441 Q445 H446 L447E439-V443 VanDerWaalsContact O-CG2 3.31Å; E439-V443 WeakPolarHBondContact O-CG2 3.41Å; E439-V443 PolarHBondContact O-N 3.31Å; V440-V443 PolarHBondContact O-N 3.39Å; E441-V443 PolarHBondContact O-N 3.43Å; V443-Q445 PolarHBondContact O-N 3.26Å; V443-H446 PolarHBondContact O-N 3.02Å; V443-L447 HydrophobicContact CG1-CD1 3.92Å; V443-L447 HydrophobicContact CG1-CG 4.33Å; V443-L447 WeakPolarHBondContact O-CB 3.45Å; V443-L447 VanDerWaalsContact O-CG 3.32Å; V443-L447 WeakPolarHBondContact O-CG 3.29Å; V443-L447 PolarHBondContact O-N 3.23Å
444S90.5Very high91.4Very high56 Ų56102.9 Ų102.939%0.39252%0.517SS..Hα-helixtrans-60.7-45.1176.9-164.90000111.5V440 E441 L447 E448V440-S444 WeakPolarHBondContact O-CB 3.47Å; V440-S444 PolarHBondContact O-N 2.82Å; E441-S444 PolarHBondContact O-N 2.88Å; S444-L447 PolarHBondContact O-N 3.12Å; S444-E448 WeakPolarHBondContact O-CG 3.46Å; S444-E448 PolarHBondContact O-N 3.49Å
445Q93.2Very high91.3Very high113 Ų113104.3 Ų104.353%0.52852%0.518SS..Hα-helixtrans-61.3-45.9176.5-75.5178.63.500111.8E441 N442 V443 L447 E448 E449E441-Q445 WeakPolarHBondContact O-CG 3.41Å; E441-Q445 PolarHBondContact O-N 2.95Å; N442-Q445 PolarHBondContact O-N 2.93Å; V443-Q445 PolarHBondContact O-N 3.26Å; Q445-L447 VanDerWaalsContact C-N 3.31Å; Q445-L447 PolarHBondContact O-N 3.49Å; Q445-E448 PolarHBondContact O-N 3.28Å; Q445-E449 WeakPolarHBondContact O-CG 3.13Å; Q445-E449 PolarHBondContact O-N 3.32Å
446H92.7Very high91.4Very high132 Ų132105.1 Ų105.161%0.61152%0.519SS*.Hα-helixtrans-62.5-38.2176.5-95.2-47.5000113N442 V443 E449 S450N442-H446 PolarHBondContact O-N 3.25Å; V443-H446 PolarHBondContact O-N 3.02Å; H446-E449 IonicContact ND1-OE2 3.95Å; H446-S450 WeakPolarHBondContact O-CB 3.41Å; H446-S450 PolarHBondContact O-N 2.7Å; H446-S450 PolarHBondContact O-OG 2.89Å
447L87.8Confident91.7Very high104 Ų104106 Ų10655%0.54552%0.523SS..Hα-helixtrans-64.9-46.6175.4-74.1172.2000111V443 S444 Q445 E449 S450 E451V443-L447 HydrophobicContact CG1-CD1 3.92Å; V443-L447 HydrophobicContact CG1-CG 4.33Å; V443-L447 WeakPolarHBondContact O-CB 3.45Å; V443-L447 VanDerWaalsContact O-CG 3.32Å; V443-L447 WeakPolarHBondContact O-CG 3.29Å; V443-L447 PolarHBondContact O-N 3.23Å; S444-L447 PolarHBondContact O-N 3.12Å; Q445-L447 VanDerWaalsContact C-N 3.31Å; Q445-L447 PolarHBondContact O-N 3.49Å; L447-E449 VanDerWaalsContact C-N 3.35Å; L447-E449 PolarHBondContact O-N 3.33Å; L447-S450 PolarHBondContact O-N 2.85Å; L447-S450 PolarHBondContact O-OG 3.44Å; L447-E451 WeakPolarHBondContact O-CB 3.23Å; L447-E451 PolarHBondContact O-N 3.14Å
448E92.4Very high91.7Very high90 Ų90104.6 Ų104.642%0.42152%0.518SS..Hα-helixtrans-59.6-42.7176.2-76-178.5-156.800112.5S444 Q445 E451 R452S444-E448 WeakPolarHBondContact O-CG 3.46Å; S444-E448 PolarHBondContact O-N 3.49Å; Q445-E448 PolarHBondContact O-N 3.28Å; E448-E451 PolarHBondContact O-N 3.04Å; E448-R452 WeakPolarHBondContact O-CG 3.15Å; E448-R452 PolarHBondContact O-N 3.2Å; E448-R452 IonicContact OE2-NH2 3.4Å
449E92.8Very high91.8Very high114 Ų114105.7 Ų105.753%0.53352%0.523SS..Hα-helixtrans-63.4-43.6175.5-73.9178.2172.700111.8Q445 H446 L447 E451 R452 A453Q445-E449 WeakPolarHBondContact O-CG 3.13Å; Q445-E449 PolarHBondContact O-N 3.32Å; H446-E449 IonicContact ND1-OE2 3.95Å; L447-E449 VanDerWaalsContact C-N 3.35Å; L447-E449 PolarHBondContact O-N 3.33Å; E449-E451 VanDerWaalsContact C-N 3.34Å; E449-R452 PolarHBondContact O-N 3.19Å; E449-A453 WeakPolarHBondContact O-CB 3.45Å; E449-A453 PolarHBondContact O-N 3.47Å
450S91Very high92Very high56 Ų56106.5 Ų106.539%0.39253%0.525SS..Hα-helixtrans-65.4-38.7177.777.30000112H446 L447 A453 L454H446-S450 WeakPolarHBondContact O-CB 3.41Å; H446-S450 PolarHBondContact O-N 2.7Å; H446-S450 PolarHBondContact O-OG 2.89Å; L447-S450 PolarHBondContact O-N 2.85Å; L447-S450 PolarHBondContact O-OG 3.44Å; S450-A453 PolarHBondContact O-N 3.34Å; S450-L454 WeakPolarHBondContact O-CG 3.24Å; S450-L454 PolarHBondContact O-N 3.46Å
451E91.3Very high92Very high109 Ų109106.2 Ų106.251%0.50952%0.52SS..Hα-helixtrans-66-45.8177.7-170-177.2171.700110.5L447 E448 E449 A453 L454 Q455L447-E451 WeakPolarHBondContact O-CB 3.23Å; L447-E451 PolarHBondContact O-N 3.14Å; E448-E451 PolarHBondContact O-N 3.04Å; E449-E451 VanDerWaalsContact C-N 3.34Å; E451-A453 VanDerWaalsContact C-N 3.33Å; E451-A453 PolarHBondContact O-N 2.94Å; E451-L454 PolarHBondContact O-N 3.04Å; E451-Q455 WeakPolarHBondContact O-CB 3.42Å; E451-Q455 WeakPolarHBondContact O-CG 3.4Å; E451-Q455 PolarHBondContact O-N 2.81Å; E451-Q455 PolarHBondContact OE1-NE2 2.82Å
452R93.5Very high92.1Very high151 Ų151106 Ų10657%0.5752%0.519SS*.Hα-helixtrans-58.4-44.2174.2-73.1178.1-165.8162.412.1111.6E448 E449 L454 Q455 E456E448-R452 WeakPolarHBondContact O-CG 3.15Å; E448-R452 PolarHBondContact O-N 3.2Å; E448-R452 IonicContact OE2-NH2 3.4Å; E449-R452 PolarHBondContact O-N 3.19Å; R452-L454 VanDerWaalsContact C-N 3.33Å; R452-L454 PolarHBondContact O-N 3.37Å; R452-Q455 PolarHBondContact O-N 3.38Å; R452-E456 PolarHBondContact O-N 2.76Å
453A92.6Very high92.2Very high59 Ų59103.8 Ų103.849%0.48851%0.513SS..Hα-helixtrans-63-38.9177.600000112.6E449 S450 E451 R457E449-A453 WeakPolarHBondContact O-CB 3.45Å; E449-A453 PolarHBondContact O-N 3.47Å; S450-A453 PolarHBondContact O-N 3.34Å; E451-A453 VanDerWaalsContact C-N 3.33Å; E451-A453 PolarHBondContact O-N 2.94Å; A453-R457 WeakPolarHBondContact O-CB 3.43Å; A453-R457 PolarHBondContact O-N 3.24Å
454L90.1Very high92.4Very high111 Ų111104.9 Ų104.958%0.58151%0.513SS*.Hα-helixtrans-68.6-42.1175-72.5172.9000111.8S450 E451 R452 E456 R457 I458S450-L454 WeakPolarHBondContact O-CG 3.24Å; S450-L454 PolarHBondContact O-N 3.46Å; E451-L454 PolarHBondContact O-N 3.04Å; R452-L454 VanDerWaalsContact C-N 3.33Å; R452-L454 PolarHBondContact O-N 3.37Å; L454-E456 PolarHBondContact O-N 3.34Å; L454-R457 WeakPolarHBondContact O-CB 3.27Å; L454-R457 PolarHBondContact O-N 2.97Å; L454-R457 VanDerWaalsContact O-N 3.16Å; L454-I458 VanDerWaalsContact O-CG1 3.29Å; L454-I458 WeakPolarHBondContact O-CG1 3.31Å; L454-I458 PolarHBondContact O-N 2.6Å
455Q92.1Very high92.6Very high107 Ų107108.6 Ų108.650%0.552%0.518SS..Hα-helixtrans-60.7-43.4175.4-73.2175.50.500111.4E451 R452 R457 I458 F459E451-Q455 WeakPolarHBondContact O-CB 3.42Å; E451-Q455 WeakPolarHBondContact O-CG 3.4Å; E451-Q455 PolarHBondContact O-N 2.81Å; E451-Q455 PolarHBondContact OE1-NE2 2.82Å; R452-Q455 PolarHBondContact O-N 3.38Å; Q455-R457 VanDerWaalsContact C-N 3.33Å; Q455-R457 PolarHBondContact O-N 2.86Å; Q455-I458 PolarHBondContact O-N 2.78Å; Q455-F459 WeakPolarHBondContact O-CB 3.27Å; Q455-F459 PolarHBondContact O-N 2.9Å
456E94.4Very high92.6Very high119 Ų119107.9 Ų107.956%0.55652%0.517SS*.Hα-helixtrans-62.4-38.8173.5-76-174.3-169.400112.7R452 L454 K460R452-E456 PolarHBondContact O-N 2.76Å; L454-E456 PolarHBondContact O-N 3.34Å; E456-K460 WeakPolarHBondContact O-CG 3.23Å; E456-K460 PolarHBondContact O-N 2.8Å
457R94.1Very high92.6Very high171 Ų171107.7 Ų107.765%0.64552%0.516SS*.Hα-helixtrans-63.7-45.4175.9-171.990.4-179.7-164.72110.8A453 L454 Q455 K460 L461A453-R457 WeakPolarHBondContact O-CB 3.43Å; A453-R457 PolarHBondContact O-N 3.24Å; L454-R457 WeakPolarHBondContact O-CB 3.27Å; L454-R457 PolarHBondContact O-N 2.97Å; L454-R457 VanDerWaalsContact O-N 3.16Å; Q455-R457 VanDerWaalsContact C-N 3.33Å; Q455-R457 PolarHBondContact O-N 2.86Å; R457-K460 PolarHBondContact O-N 3.14Å; R457-L461 HydrophobicContact CG-CD1 4.27Å; R457-L461 WeakPolarHBondContact O-CG 3.18Å; R457-L461 PolarHBondContact O-N 2.96Å
458I91.4Very high92.7Very high92 Ų92108.6 Ų108.647%0.47252%0.521SS..Hα-helixtrans-60.3-49.3177.5-70165.4000109.6L454 Q455 K460 L461 E462L454-I458 VanDerWaalsContact O-CG1 3.29Å; L454-I458 WeakPolarHBondContact O-CG1 3.31Å; L454-I458 PolarHBondContact O-N 2.6Å; Q455-I458 PolarHBondContact O-N 2.78Å; I458-K460 VanDerWaalsContact C-N 3.31Å; I458-K460 PolarHBondContact O-N 2.95Å; I458-L461 PolarHBondContact O-N 3.25Å; I458-E462 HydrophobicContact CG2-CG 4.27Å; I458-E462 WeakPolarHBondContact O-CG 3.45Å; I458-E462 PolarHBondContact O-N 3.12Å
459F94.6Very high92.7Very high150 Ų150109.1 Ų109.166%0.65852%0.523SS*.Hα-helixtrans-57.4-42.2178.3-174.4-97.4000112.5Q455 E462 A463Q455-F459 WeakPolarHBondContact O-CB 3.27Å; Q455-F459 PolarHBondContact O-N 2.9Å; F459-E462 PolarHBondContact O-N 3.4Å; F459-A463 WeakPolarHBondContact O-CB 3.32Å; F459-A463 PolarHBondContact O-N 3.38Å
460K94.3Very high92.8Very high126 Ų126108.8 Ų108.855%0.54852%0.522SS..Hα-helixtrans-64-41.9175.2-73.9170.7-175.21650112.4E456 R457 I458 A463 Q464E456-K460 WeakPolarHBondContact O-CG 3.23Å; E456-K460 PolarHBondContact O-N 2.8Å; R457-K460 PolarHBondContact O-N 3.14Å; I458-K460 VanDerWaalsContact C-N 3.31Å; I458-K460 PolarHBondContact O-N 2.95Å; K460-A463 PolarHBondContact O-N 3.5Å; K460-Q464 WeakPolarHBondContact O-CG 3.38Å; K460-Q464 PolarHBondContact O-N 3.31Å
461L90.8Very high92.9Very high92 Ų92110.9 Ų110.948%0.48253%0.525SS..Hα-helixtrans-68.8-37.5178.3-72172.2000111.9R457 I458 Q464 R465R457-L461 HydrophobicContact CG-CD1 4.27Å; R457-L461 WeakPolarHBondContact O-CG 3.18Å; R457-L461 PolarHBondContact O-N 2.96Å; I458-L461 PolarHBondContact O-N 3.25Å; L461-Q464 PolarHBondContact O-N 3.5Å; L461-R465 WeakPolarHBondContact O-CB 3.48Å; L461-R465 PolarHBondContact O-N 2.91Å
462E92.7Very high92.8Very high96 Ų96109.9 Ų109.945%0.44952%0.523SS..Hα-helixtrans-64.5-43.5174.2-73.9-178.6159.300111.5I458 F459 Q464 R465 I466I458-E462 HydrophobicContact CG2-CG 4.27Å; I458-E462 WeakPolarHBondContact O-CG 3.45Å; I458-E462 PolarHBondContact O-N 3.12Å; F459-E462 PolarHBondContact O-N 3.4Å; E462-Q464 VanDerWaalsContact C-N 3.33Å; E462-Q464 PolarHBondContact O-N 3.43Å; E462-R465 WeakPolarHBondContact O-CB 3.44Å; E462-R465 PolarHBondContact O-N 2.8Å; E462-I466 WeakPolarHBondContact O-CG1 3.46Å; E462-I466 PolarHBondContact O-N 3.42Å
463A94.1Very high92.7Very high45 Ų45104.5 Ų104.537%0.37251%0.514SS..Hα-helixtrans-60.1-42.417400000112F459 K460 I466 Q467F459-A463 WeakPolarHBondContact O-CB 3.32Å; F459-A463 PolarHBondContact O-N 3.38Å; K460-A463 PolarHBondContact O-N 3.5Å; A463-I466 PolarHBondContact O-N 3.43Å; A463-Q467 WeakPolarHBondContact O-CG 3.38Å; A463-Q467 PolarHBondContact O-N 2.96Å; A463-Q467 VanDerWaalsContact O-N 3.09Å
464Q93.6Very high92.6Very high110 Ų110106.4 Ų106.451%0.51451%0.511SS..Hα-helixtrans-64.5-40.1174.5-74.9178.6-9.400112.3K460 L461 E462 I466 Q467 L468K460-Q464 WeakPolarHBondContact O-CG 3.38Å; K460-Q464 PolarHBondContact O-N 3.31Å; L461-Q464 PolarHBondContact O-N 3.5Å; E462-Q464 VanDerWaalsContact C-N 3.33Å; E462-Q464 PolarHBondContact O-N 3.43Å; Q464-I466 PolarHBondContact O-N 3.09Å; Q464-Q467 PolarHBondContact O-N 3.39Å; Q464-L468 WeakPolarHBondContact O-CG 3.29Å; Q464-L468 PolarHBondContact O-N 2.9Å
465R94.3Very high92.7Very high134 Ų134104.7 Ų104.751%0.50651%0.506SS..Hα-helixtrans-59.8-47.1176.5-164.5-166.190.1-150.5-2110.9L461 E462 Q467 L468 E469L461-R465 WeakPolarHBondContact O-CB 3.48Å; L461-R465 PolarHBondContact O-N 2.91Å; E462-R465 WeakPolarHBondContact O-CB 3.44Å; E462-R465 PolarHBondContact O-N 2.8Å; R465-Q467 VanDerWaalsContact C-N 3.34Å; R465-Q467 PolarHBondContact O-N 3.38Å; R465-L468 PolarHBondContact O-N 2.89Å; R465-E469 IonicContact CZ-OE1 3.04Å; R465-E469 IonicContact NE-OE1 2.8Å; R465-E469 PolarHBondContact NE-OE1 3.48Å; R465-E469 IonicContact NE-OE2 3.09Å; R465-E469 IonicContact NH2-OE1 2.84Å; R465-E469 IonicContact NH2-OE2 2.82Å; R465-E469 WeakPolarHBondContact O-CB 3.17Å; R465-E469 WeakPolarHBondContact O-CG 3.41Å; R465-E469 PolarHBondContact O-N 2.99Å
466I93.4Very high92.6Very high97 Ų97105.8 Ų105.850%0.49751%0.509SS..Hα-helixtrans-61.1-43.9178.6-66.9166000110.7E462 A463 Q464 L468 E469 E470E462-I466 WeakPolarHBondContact O-CG1 3.46Å; E462-I466 PolarHBondContact O-N 3.42Å; A463-I466 PolarHBondContact O-N 3.43Å; Q464-I466 PolarHBondContact O-N 3.09Å; I466-L468 PolarHBondContact O-N 2.96Å; I466-E469 PolarHBondContact O-N 3.25Å; I466-E470 PolarHBondContact O-N 3.43Å
467Q93.4Very high92.4Very high128 Ų128102.9 Ų102.960%0.59851%0.505SS*.Hα-helixtrans-60.8-45.3175.7-75.6-179.8-1000112.2A463 Q464 R465 E469 E470 E471A463-Q467 WeakPolarHBondContact O-CG 3.38Å; A463-Q467 PolarHBondContact O-N 2.96Å; A463-Q467 VanDerWaalsContact O-N 3.09Å; Q464-Q467 PolarHBondContact O-N 3.39Å; R465-Q467 VanDerWaalsContact C-N 3.34Å; R465-Q467 PolarHBondContact O-N 3.38Å; Q467-E469 VanDerWaalsContact C-N 3.34Å; Q467-E469 PolarHBondContact O-N 3.27Å; Q467-E470 PolarHBondContact O-N 3.31Å; Q467-E471 WeakPolarHBondContact O-CG 3.26Å; Q467-E471 PolarHBondContact O-N 2.94Å
468L90.7Very high92.3Very high124 Ų12496.8 Ų96.865%0.64949%0.491SS*.Hα-helixtrans-65.2-37177.8-71.8172.6000112.3Q464 R465 I466 E470 L472Q464-L468 WeakPolarHBondContact O-CG 3.29Å; Q464-L468 PolarHBondContact O-N 2.9Å; R465-L468 PolarHBondContact O-N 2.89Å; I466-L468 PolarHBondContact O-N 2.96Å; L468-E470 VanDerWaalsContact C-N 3.34Å; L468-L472 VanDerWaalsContact O-CB 3.24Å; L468-L472 WeakPolarHBondContact O-CB 3.31Å; L468-L472 PolarHBondContact O-N 2.69Å
469E92.3Very high92.2Very high100 Ų10096.6 Ų96.647%0.46749%0.494SS..Hα-helixtrans-63.5-39.8173.8-76.8171.2-173.800111.6R465 I466 Q467 L472 G473R465-E469 IonicContact CZ-OE1 3.04Å; R465-E469 IonicContact NE-OE1 2.8Å; R465-E469 PolarHBondContact NE-OE1 3.48Å; R465-E469 IonicContact NE-OE2 3.09Å; R465-E469 IonicContact NH2-OE1 2.84Å; R465-E469 IonicContact NH2-OE2 2.82Å; R465-E469 WeakPolarHBondContact O-CB 3.17Å; R465-E469 WeakPolarHBondContact O-CG 3.41Å; R465-E469 PolarHBondContact O-N 2.99Å; I466-E469 PolarHBondContact O-N 3.25Å; Q467-E469 VanDerWaalsContact C-N 3.34Å; Q467-E469 PolarHBondContact O-N 3.27Å; E469-L472 PolarHBondContact O-N 3.01Å; E469-G473 PolarHBondContact O-N 3.4Å
470E93.7Very high92.1Very high108 Ų10894.2 Ų94.251%0.50549%0.492SS..Hα-helixtrans-66.5-46176.3-162.4-168.214200111.8I466 Q467 L468 L472 G473 K474I466-E470 PolarHBondContact O-N 3.43Å; Q467-E470 PolarHBondContact O-N 3.31Å; L468-E470 VanDerWaalsContact C-N 3.34Å; E470-L472 VanDerWaalsContact C-N 3.34Å; E470-L472 PolarHBondContact O-N 3.12Å; E470-G473 WeakPolarHBondContact O-CA 3.45Å; E470-G473 PolarHBondContact O-N 3.4Å; E470-G473 VanDerWaalsContact O-N 3.1Å; E470-K474 WeakPolarHBondContact O-CG 3.47Å; E470-K474 PolarHBondContact O-N 3.16Å; E470-K474 WeakPolarHBondContact OE1-CE 3.43Å; E470-K474 IonicContact OE1-NZ 3.26Å; E470-K474 PolarHBondContact OE1-NZ 2.79Å
471E92.8Very high91.9Very high99 Ų9992 Ų9246%0.46349%0.489SS..Hα-helixtrans-64.4-38.3176.1-68.7-55.4125.900112Q467 G473 K474 T475Q467-E471 WeakPolarHBondContact O-CG 3.26Å; Q467-E471 PolarHBondContact O-N 2.94Å; E471-G473 VanDerWaalsContact C-N 3.29Å; E471-G473 PolarHBondContact O-N 3.31Å; E471-K474 PolarHBondContact O-N 3.38Å; E471-K474 IonicContact OE1-NZ 2.72Å; E471-K474 PolarHBondContact OE1-NZ 3.34Å; E471-T475 WeakPolarHBondContact O-CG2 3.41Å; E471-T475 PolarHBondContact O-N 3.45Å; E471-T475 PolarHBondContact O-OG1 3.05Å
472L90Very high91.9Very high89 Ų8993.6 Ų93.647%0.46649%0.494SS..Hα-helixtrans-63.4-37.3171.5-175.465.5000111.5L468 E469 E470 T475 K476L468-L472 VanDerWaalsContact O-CB 3.24Å; L468-L472 WeakPolarHBondContact O-CB 3.31Å; L468-L472 PolarHBondContact O-N 2.69Å; E469-L472 PolarHBondContact O-N 3.01Å; E470-L472 VanDerWaalsContact C-N 3.34Å; E470-L472 PolarHBondContact O-N 3.12Å; L472-T475 VanDerWaalsContact CA-OG1 3.31Å; L472-T475 WeakPolarHBondContact CA-OG1 3.46Å; L472-T475 PolarHBondContact O-OG1 3.32Å; L472-K476 HydrophobicContact CG-CD 4.34Å; L472-K476 WeakPolarHBondContact O-CB 3.31Å; L472-K476 VanDerWaalsContact O-CG 3.27Å; L472-K476 WeakPolarHBondContact O-CG 3.37Å; L472-K476 PolarHBondContact O-N 3.46Å
473G90.9Very high91.7Very high37 Ų3796.9 Ų96.938%0.38150%0.502SS..Hα-helixtrans-62.2-47.9173.700000112.3E469 E470 E471 K476 A477E469-G473 PolarHBondContact O-N 3.4Å; E470-G473 WeakPolarHBondContact O-CA 3.45Å; E470-G473 PolarHBondContact O-N 3.4Å; E470-G473 VanDerWaalsContact O-N 3.1Å; E471-G473 VanDerWaalsContact C-N 3.29Å; E471-G473 PolarHBondContact O-N 3.31Å; G473-K476 PolarHBondContact O-N 3.42Å; G473-A477 PolarHBondContact O-N 3.46Å
474K92.1Very high91.4Very high99 Ų9997.2 Ų97.243%0.4351%0.505SS..Hα-helixtrans-60.7-47177.5-70.2171.3-170.1158.50111.9E470 E471 A477 A478E470-K474 WeakPolarHBondContact O-CG 3.47Å; E470-K474 PolarHBondContact O-N 3.16Å; E470-K474 WeakPolarHBondContact OE1-CE 3.43Å; E470-K474 IonicContact OE1-NZ 3.26Å; E470-K474 PolarHBondContact OE1-NZ 2.79Å; E471-K474 PolarHBondContact O-N 3.38Å; E471-K474 IonicContact OE1-NZ 2.72Å; E471-K474 PolarHBondContact OE1-NZ 3.34Å; K474-A477 PolarHBondContact O-N 2.93Å; K474-A478 PolarHBondContact O-N 3.46Å
475T91.2Very high91.2Very high75 Ų7598 Ų9846%0.4651%0.509SS..Hα-helixtrans-64.9-41.9178.850.20000112.1E471 L472 A477 A478 V479E471-T475 WeakPolarHBondContact O-CG2 3.41Å; E471-T475 PolarHBondContact O-N 3.45Å; E471-T475 PolarHBondContact O-OG1 3.05Å; L472-T475 VanDerWaalsContact CA-OG1 3.31Å; L472-T475 WeakPolarHBondContact CA-OG1 3.46Å; L472-T475 PolarHBondContact O-OG1 3.32Å; T475-A477 VanDerWaalsContact C-N 3.34Å; T475-A477 PolarHBondContact O-N 2.87Å; T475-A478 PolarHBondContact O-N 3.46Å; T475-V479 WeakPolarHBondContact O-CG2 3.39Å; T475-V479 PolarHBondContact O-N 3.27Å
476K90.7Very high90.7Very high130 Ų13094.2 Ų94.257%0.56551%0.507SS*.Hα-helixtrans-59.5-44173-78.9176.6178.81770112.1L472 G473 V479 V480L472-K476 HydrophobicContact CG-CD 4.34Å; L472-K476 WeakPolarHBondContact O-CB 3.31Å; L472-K476 VanDerWaalsContact O-CG 3.27Å; L472-K476 WeakPolarHBondContact O-CG 3.37Å; L472-K476 PolarHBondContact O-N 3.46Å; G473-K476 PolarHBondContact O-N 3.42Å; K476-V479 PolarHBondContact O-N 3.33Å; K476-V480 VanDerWaalsContact O-CG2 3.32Å; K476-V480 WeakPolarHBondContact O-CG2 3.46Å; K476-V480 PolarHBondContact O-N 3.49Å
477A90.1Very high90.5Very high58 Ų5894.7 Ų94.748%0.47951%0.507SS..Hα-helixtrans-61.6-44176.800000111.5G473 K474 T475 V480 T481G473-A477 PolarHBondContact O-N 3.46Å; K474-A477 PolarHBondContact O-N 2.93Å; T475-A477 VanDerWaalsContact C-N 3.34Å; T475-A477 PolarHBondContact O-N 2.87Å; A477-V480 PolarHBondContact O-N 3.28Å; A477-T481 WeakPolarHBondContact O-CG2 3.27Å; A477-T481 PolarHBondContact O-N 3.14Å; A477-T481 PolarHBondContact O-OG1 3.48Å
478A91.3Very high90.3Very high43 Ų4393.9 Ų93.936%0.35550%0.503SS..Hα-helixtrans-59.5-47.3176.600000112.1K474 T475 V480 T481 E482K474-A478 PolarHBondContact O-N 3.46Å; T475-A478 PolarHBondContact O-N 3.46Å; A478-V480 VanDerWaalsContact C-N 3.3Å; A478-V480 PolarHBondContact O-N 3.44Å; A478-T481 WeakPolarHBondContact CA-OG1 3.38Å; A478-T481 PolarHBondContact O-N 2.93Å; A478-T481 VanDerWaalsContact O-N 3.11Å; A478-T481 PolarHBondContact O-OG1 2.9Å; A478-E482 WeakPolarHBondContact O-CG 3.41Å; A478-E482 PolarHBondContact O-N 3.41Å
479V90.3Very high90Very high89 Ų8992.8 Ų92.854%0.53949%0.494SS..Hα-helixtrans-61.4-38.9177.4171.60000111.7T475 K476 T481 E482 R483T475-V479 WeakPolarHBondContact O-CG2 3.39Å; T475-V479 PolarHBondContact O-N 3.27Å; K476-V479 PolarHBondContact O-N 3.33Å; V479-T481 VanDerWaalsContact C-N 3.35Å; V479-E482 PolarHBondContact O-N 3.38Å; V479-R483 VanDerWaalsContact O-CB 3.25Å; V479-R483 WeakPolarHBondContact O-CB 3.34Å; V479-R483 PolarHBondContact O-N 3.45Å
480V91.7Very high89.6Confident99 Ų9992.3 Ų92.360%0.650%0.495SS*.Hα-helixtrans-64-41.6175.5170.80000110.9K476 A477 A478 R483 A484K476-V480 VanDerWaalsContact O-CG2 3.32Å; K476-V480 WeakPolarHBondContact O-CG2 3.46Å; K476-V480 PolarHBondContact O-N 3.49Å; A477-V480 PolarHBondContact O-N 3.28Å; A478-V480 VanDerWaalsContact C-N 3.3Å; A478-V480 PolarHBondContact O-N 3.44Å; V480-R483 PolarHBondContact O-N 3.03Å; V480-A484 WeakPolarHBondContact O-CB 3.32Å; V480-A484 PolarHBondContact O-N 2.87Å
481T90.9Very high89.2Confident80 Ų8088.7 Ų88.749%0.49149%0.486SS..Hα-helixtrans-67.1-42.6177.253.80000112.8A477 A478 V479 R483 A484 Q485A477-T481 WeakPolarHBondContact O-CG2 3.27Å; A477-T481 PolarHBondContact O-N 3.14Å; A477-T481 PolarHBondContact O-OG1 3.48Å; A478-T481 WeakPolarHBondContact CA-OG1 3.38Å; A478-T481 PolarHBondContact O-N 2.93Å; A478-T481 VanDerWaalsContact O-N 3.11Å; A478-T481 PolarHBondContact O-OG1 2.9Å; V479-T481 VanDerWaalsContact C-N 3.35Å; T481-R483 VanDerWaalsContact C-N 3.33Å; T481-R483 PolarHBondContact O-N 3.5Å; T481-A484 PolarHBondContact O-N 3.41Å; T481-Q485 WeakPolarHBondContact O-CG 3.42Å; T481-Q485 PolarHBondContact O-N 3.26Å
482E89.8Confident88.9Confident126 Ų12688.3 Ų88.359%0.58948%0.483SS*.Hα-helixtrans-63.4-41.1176-73.7-179.7176.400111.3A478 V479 Q485 A486A478-E482 WeakPolarHBondContact O-CG 3.41Å; A478-E482 PolarHBondContact O-N 3.41Å; V479-E482 PolarHBondContact O-N 3.38Å; E482-Q485 PolarHBondContact O-N 3.42Å; E482-A486 WeakPolarHBondContact O-CB 3.25Å; E482-A486 PolarHBondContact O-N 3.31Å
483R89.7Confident88.6Confident164 Ų16487.9 Ų87.962%0.61948%0.484SS*.Hα-helixtrans-61.7-44174.6179.6179.4166.6-177.7-4.2111.7V479 V480 T481 Q485 A486 E487V479-R483 VanDerWaalsContact O-CB 3.25Å; V479-R483 WeakPolarHBondContact O-CB 3.34Å; V479-R483 PolarHBondContact O-N 3.45Å; V480-R483 PolarHBondContact O-N 3.03Å; T481-R483 VanDerWaalsContact C-N 3.33Å; T481-R483 PolarHBondContact O-N 3.5Å; R483-Q485 VanDerWaalsContact C-N 3.34Å; R483-Q485 PolarHBondContact O-N 2.91Å; R483-A486 PolarHBondContact O-N 3.37Å; R483-E487 HydrophobicContact CG-CG 4.48Å; R483-E487 IonicContact CZ-OE1 3.99Å; R483-E487 IonicContact NE-OE1 2.96Å; R483-E487 PolarHBondContact NE-OE1 2.95Å; R483-E487 IonicContact NH2-OE1 3.41Å; R483-E487 PolarHBondContact NH2-OE1 3.4Å; R483-E487 WeakPolarHBondContact O-CB 3.49Å; R483-E487 WeakPolarHBondContact O-CG 3.46Å; R483-E487 PolarHBondContact O-N 3.25Å
484A87.8Confident88.3Confident53 Ų5393.6 Ų93.644%0.43849%0.494SS..Hα-helixtrans-62.4-41.7177.600000111.7V480 T481 E487 E488V480-A484 WeakPolarHBondContact O-CB 3.32Å; V480-A484 PolarHBondContact O-N 2.87Å; T481-A484 PolarHBondContact O-N 3.41Å; A484-E487 PolarHBondContact O-N 3.32Å; A484-E488 PolarHBondContact O-N 3.47Å
485Q89.3Confident87.8Confident125 Ų12592.8 Ų92.858%0.58450%0.498SS*.Hα-helixtrans-62.5-45.1174.2-71.7174-500111.7T481 E482 R483 E487 E488 E489T481-Q485 WeakPolarHBondContact O-CG 3.42Å; T481-Q485 PolarHBondContact O-N 3.26Å; E482-Q485 PolarHBondContact O-N 3.42Å; R483-Q485 VanDerWaalsContact C-N 3.34Å; R483-Q485 PolarHBondContact O-N 2.91Å; Q485-E487 VanDerWaalsContact C-N 3.34Å; Q485-E487 PolarHBondContact O-N 2.84Å; Q485-E488 WeakPolarHBondContact O-CB 3.45Å; Q485-E488 PolarHBondContact O-N 2.93Å; Q485-E489 PolarHBondContact O-N 3.31Å
486A83.8Confident87.4Confident56 Ų5694.7 Ų94.746%0.46350%0.501SS..Hα-helixtrans-62.5-40.7177.200000112.1E482 R483 E489 L490E482-A486 WeakPolarHBondContact O-CB 3.25Å; E482-A486 PolarHBondContact O-N 3.31Å; R483-A486 PolarHBondContact O-N 3.37Å; A486-E489 PolarHBondContact O-N 3.26Å; A486-L490 WeakPolarHBondContact O-CB 3.39Å; A486-L490 PolarHBondContact O-N 2.77Å
487E88.2Confident86.6Confident106 Ų10693.3 Ų93.350%0.49550%0.498SS..Hα-helixtrans-64.7-37.3175.2-75.5177.8-175.700112R483 A484 Q485 L490 G491R483-E487 HydrophobicContact CG-CG 4.48Å; R483-E487 IonicContact CZ-OE1 3.99Å; R483-E487 IonicContact NE-OE1 2.96Å; R483-E487 PolarHBondContact NE-OE1 2.95Å; R483-E487 IonicContact NH2-OE1 3.41Å; R483-E487 PolarHBondContact NH2-OE1 3.4Å; R483-E487 WeakPolarHBondContact O-CB 3.49Å; R483-E487 WeakPolarHBondContact O-CG 3.46Å; R483-E487 PolarHBondContact O-N 3.25Å; A484-E487 PolarHBondContact O-N 3.32Å; Q485-E487 VanDerWaalsContact C-N 3.34Å; Q485-E487 PolarHBondContact O-N 2.84Å; E487-L490 PolarHBondContact O-N 3.32Å; E487-G491 PolarHBondContact O-N 3.42Å
488E88.8Confident86.1Confident111 Ų11198.8 Ų98.852%0.51951%0.506SS..Hα-helixtrans-64.6-47.2174.5-167.2-167.6140.300111.8A484 Q485 L490 G491 K492A484-E488 PolarHBondContact O-N 3.47Å; Q485-E488 WeakPolarHBondContact O-CB 3.45Å; Q485-E488 PolarHBondContact O-N 2.93Å; E488-L490 VanDerWaalsContact C-N 3.34Å; E488-L490 PolarHBondContact O-N 2.75Å; E488-G491 WeakPolarHBondContact O-CA 3.46Å; E488-G491 PolarHBondContact O-N 3.36Å; E488-K492 PolarHBondContact O-N 3.2Å; E488-K492 WeakPolarHBondContact OE1-CE 3.33Å; E488-K492 IonicContact OE1-NZ 2.83Å; E488-K492 PolarHBondContact OE1-NZ 2.93Å
489E85.5Confident85.6Confident101 Ų101101.4 Ų101.447%0.47251%0.514SS..Hα-helixtrans-62.4-40.7176.3-69.6-54.7131.200111.8Q485 A486 G491 K492 V493Q485-E489 PolarHBondContact O-N 3.31Å; A486-E489 PolarHBondContact O-N 3.26Å; E489-G491 PolarHBondContact O-N 3.16Å; E489-K492 WeakPolarHBondContact O-CB 3.48Å; E489-K492 PolarHBondContact O-N 3.18Å; E489-K492 VanDerWaalsContact O-N 3.15Å; E489-K492 IonicContact OE1-NZ 3.69Å; E489-K492 PolarHBondContact OE1-NZ 3.43Å; E489-V493 WeakPolarHBondContact O-CG2 3.33Å; E489-V493 PolarHBondContact O-N 3.15Å
490L82.6Confident84.9Confident91 Ų91102.1 Ų102.148%0.47651%0.511SS..Hα-helixtrans-61-36.1172.3-124.2156.1000111.7A486 E487 E488 R494A486-L490 WeakPolarHBondContact O-CB 3.39Å; A486-L490 PolarHBondContact O-N 2.77Å; E487-L490 PolarHBondContact O-N 3.32Å; E488-L490 VanDerWaalsContact C-N 3.34Å; E488-L490 PolarHBondContact O-N 2.75Å; L490-R494 HydrophobicContact CD2-CG 4.41Å; L490-R494 WeakPolarHBondContact O-CB 3.35Å; L490-R494 VanDerWaalsContact O-CG 3.24Å; L490-R494 WeakPolarHBondContact O-CG 3.38Å; L490-R494 PolarHBondContact O-N 2.91Å
491G85.3Confident84.1Confident31 Ų31103 Ų10332%0.3251%0.509SS..Hα-helixtrans-59.8-48.7171.500000112.3E487 E488 E489 R494 T495E487-G491 PolarHBondContact O-N 3.42Å; E488-G491 WeakPolarHBondContact O-CA 3.46Å; E488-G491 PolarHBondContact O-N 3.36Å; E489-G491 PolarHBondContact O-N 3.16Å; G491-R494 PolarHBondContact O-N 3.33Å; G491-T495 PolarHBondContact O-N 3.25Å; G491-T495 PolarHBondContact O-OG1 2.95Å
492K87.6Confident83.3Confident91 Ų91105.2 Ų105.240%0.39651%0.514SS..Hα-helixtrans-59.7-47.7177.4-67.1170.9-171159.70111.4E488 E489 R494 T495 Q496E488-K492 PolarHBondContact O-N 3.2Å; E488-K492 WeakPolarHBondContact OE1-CE 3.33Å; E488-K492 IonicContact OE1-NZ 2.83Å; E488-K492 PolarHBondContact OE1-NZ 2.93Å; E489-K492 WeakPolarHBondContact O-CB 3.48Å; E489-K492 PolarHBondContact O-N 3.18Å; E489-K492 VanDerWaalsContact O-N 3.15Å; E489-K492 IonicContact OE1-NZ 3.69Å; E489-K492 PolarHBondContact OE1-NZ 3.43Å; K492-R494 VanDerWaalsContact C-N 3.35Å; K492-R494 PolarHBondContact O-N 3.22Å; K492-T495 WeakPolarHBondContact CA-OG1 3.45Å; K492-T495 PolarHBondContact O-N 3.25Å; K492-T495 PolarHBondContact O-OG1 2.95Å; K492-Q496 PolarHBondContact O-N 3Å
493V83.1Confident82.5Confident81 Ų81105.2 Ų105.249%0.49151%0.513SS..Hα-helixtrans-61.1-42.9177.5174.40000111.4E489 T495 Q496 M497E489-V493 WeakPolarHBondContact O-CG2 3.33Å; E489-V493 PolarHBondContact O-N 3.15Å; V493-T495 VanDerWaalsContact C-N 3.34Å; V493-T495 PolarHBondContact O-N 3.37Å; V493-Q496 PolarHBondContact O-N 3.29Å; V493-M497 PolarHBondContact O-N 3.42Å
494R85.8Confident81.6Confident156 Ų156104.4 Ų104.459%0.58952%0.517SS*.Hα-helixtrans-61.7-40.8176.1-77.7172178.3176.71.7112.4L490 G491 K492 Q496 R498L490-R494 HydrophobicContact CD2-CG 4.41Å; L490-R494 WeakPolarHBondContact O-CB 3.35Å; L490-R494 VanDerWaalsContact O-CG 3.24Å; L490-R494 WeakPolarHBondContact O-CG 3.38Å; L490-R494 PolarHBondContact O-N 2.91Å; G491-R494 PolarHBondContact O-N 3.33Å; K492-R494 VanDerWaalsContact C-N 3.35Å; K492-R494 PolarHBondContact O-N 3.22Å; R494-Q496 VanDerWaalsContact C-N 3.31Å; R494-R498 PolarHBondContact O-N 3.12Å; R494-R498 VanDerWaalsContact O-N 3.12Å
495T81.4Confident80.8Confident83 Ų83108.8 Ų108.851%0.50953%0.528SS..Hα-helixtrans-65.6-36.6175.352.20000112.2G491 K492 V493 R498 L499G491-T495 PolarHBondContact O-N 3.25Å; G491-T495 PolarHBondContact O-OG1 2.95Å; K492-T495 WeakPolarHBondContact CA-OG1 3.45Å; K492-T495 PolarHBondContact O-N 3.25Å; K492-T495 PolarHBondContact O-OG1 2.95Å; V493-T495 VanDerWaalsContact C-N 3.34Å; V493-T495 PolarHBondContact O-N 3.37Å; T495-R498 PolarHBondContact O-N 3.2Å; T495-L499 PolarHBondContact O-N 2.87Å; T495-L499 VanDerWaalsContact O-N 3.1Å
496Q81.8Confident80.2Confident114 Ų114108.5 Ų108.553%0.53353%0.527SS..Hα-helixtrans-68.9-42.3177.6-170.2169.6-4.900112K492 V493 R494 R498 L499 E500K492-Q496 PolarHBondContact O-N 3Å; V493-Q496 PolarHBondContact O-N 3.29Å; R494-Q496 VanDerWaalsContact C-N 3.31Å; Q496-R498 VanDerWaalsContact C-N 3.32Å; Q496-R498 PolarHBondContact O-N 3.25Å; Q496-L499 WeakPolarHBondContact O-CB 3.39Å; Q496-L499 PolarHBondContact O-N 3.46Å; Q496-E500 PolarHBondContact O-N 3.3Å
497M73.3Confident79.6Confident101 Ų101109.6 Ų109.650%0.49853%0.527SS..Hα-helixtrans-60.6-39.8172.7-71.6-157.4-31.200112.3V493 L499 E500 E501V493-M497 PolarHBondContact O-N 3.42Å; M497-L499 VanDerWaalsContact C-N 3.33Å; M497-L499 PolarHBondContact O-N 2.83Å; M497-E500 PolarHBondContact O-N 2.97Å; M497-E501 WeakPolarHBondContact O-CB 3.39Å; M497-E501 WeakPolarHBondContact O-CG 3.33Å; M497-E501 PolarHBondContact O-N 3.44Å
498R81.5Confident78.9Confident173 Ų173107.1 Ų107.165%0.65352%0.522SS*.Hα-helixtrans-62.4-41175.5-75.9-175.1-173.1-177.82.1112.3R494 T495 Q496 E500 E501 E502R494-R498 PolarHBondContact O-N 3.12Å; R494-R498 VanDerWaalsContact O-N 3.12Å; T495-R498 PolarHBondContact O-N 3.2Å; Q496-R498 VanDerWaalsContact C-N 3.32Å; Q496-R498 PolarHBondContact O-N 3.25Å; R498-E500 VanDerWaalsContact C-N 3.34Å; R498-E501 PolarHBondContact O-N 3.32Å; R498-E502 WeakPolarHBondContact O-CG 3.5Å; R498-E502 PolarHBondContact O-N 2.86Å
499L79.9Confident78.2Confident98 Ų98104 Ų10451%0.51351%0.512SS..Hα-helixtrans-63.6-40.1174.8-84.2152.5000111.7T495 Q496 M497 Q503T495-L499 PolarHBondContact O-N 2.87Å; T495-L499 VanDerWaalsContact O-N 3.1Å; Q496-L499 WeakPolarHBondContact O-CB 3.39Å; Q496-L499 PolarHBondContact O-N 3.46Å; M497-L499 VanDerWaalsContact C-N 3.33Å; M497-L499 PolarHBondContact O-N 2.83Å; L499-Q503 WeakPolarHBondContact O-CB 3.47Å; L499-Q503 VanDerWaalsContact O-CG 3.27Å; L499-Q503 WeakPolarHBondContact O-CG 3.39Å; L499-Q503 PolarHBondContact O-N 3.48Å
500E75.2Confident77.5Confident104 Ų104103.4 Ų103.449%0.48651%0.512SS..Hα-helixtrans-67.2-39.8174.6-73.8178.818000111.9Q496 M497 R498 Q503 Q504Q496-E500 PolarHBondContact O-N 3.3Å; M497-E500 PolarHBondContact O-N 2.97Å; R498-E500 VanDerWaalsContact C-N 3.34Å; E500-Q503 WeakPolarHBondContact O-CB 3.48Å; E500-Q503 PolarHBondContact O-N 2.86Å; E500-Q504 WeakPolarHBondContact O-CB 3.43Å; E500-Q504 PolarHBondContact O-N 3.31Å
501E75.9Confident77.1Confident119 Ų119104 Ų10456%0.55651%0.512SS*.Hα-helixtrans-61.8-45.3173-77.1176.716500111.6M497 R498 Q503 Q504 E505M497-E501 WeakPolarHBondContact O-CB 3.39Å; M497-E501 WeakPolarHBondContact O-CG 3.33Å; M497-E501 PolarHBondContact O-N 3.44Å; R498-E501 PolarHBondContact O-N 3.32Å; E501-Q503 VanDerWaalsContact C-N 3.32Å; E501-Q503 PolarHBondContact O-N 2.95Å; E501-Q504 WeakPolarHBondContact O-CB 3.42Å; E501-Q504 PolarHBondContact O-N 3.07Å; E501-Q504 VanDerWaalsContact O-N 3.14Å; E501-E505 PolarHBondContact O-N 3.36Å
502E74.2Confident76.4Confident126 Ų126108.4 Ų108.459%0.58952%0.524SS*.Hα-helixtrans-61.6-39.1174.2-75.6177.3-179.100111.8R498 E505 H506R498-E502 WeakPolarHBondContact O-CG 3.5Å; R498-E502 PolarHBondContact O-N 2.86Å; E502-E505 PolarHBondContact O-N 3.05Å; E502-H506 WeakPolarHBondContact O-CB 3.45Å; E502-H506 PolarHBondContact O-N 3Å
503Q71.7Confident75.7Confident125 Ų125109.7 Ų109.758%0.58453%0.53SS*.Hα-helixtrans-65.2-40.7172.9-75.3176.36.500111.7L499 E500 E501 H506 V507L499-Q503 WeakPolarHBondContact O-CB 3.47Å; L499-Q503 VanDerWaalsContact O-CG 3.27Å; L499-Q503 WeakPolarHBondContact O-CG 3.39Å; L499-Q503 PolarHBondContact O-N 3.48Å; E500-Q503 WeakPolarHBondContact O-CB 3.48Å; E500-Q503 PolarHBondContact O-N 2.86Å; E501-Q503 VanDerWaalsContact C-N 3.32Å; E501-Q503 PolarHBondContact O-N 2.95Å; Q503-H506 PolarHBondContact O-N 3.41Å; Q503-V507 VanDerWaalsContact O-CG2 3.32Å; Q503-V507 WeakPolarHBondContact O-CG2 3.37Å; Q503-V507 PolarHBondContact O-N 3.21Å
504Q71Confident75Confident147 Ų147110 Ų11069%0.68753%0.529SS*.Hα-helixtrans-64.3-41.1177.2-161.8108.4-8.100111.3E500 E501 V507 S508E500-Q504 WeakPolarHBondContact O-CB 3.43Å; E500-Q504 PolarHBondContact O-N 3.31Å; E501-Q504 WeakPolarHBondContact O-CB 3.42Å; E501-Q504 PolarHBondContact O-N 3.07Å; E501-Q504 VanDerWaalsContact O-N 3.14Å; Q504-V507 PolarHBondContact O-N 3.26Å; Q504-S508 WeakPolarHBondContact O-CB 3.37Å; Q504-S508 PolarHBondContact O-N 2.86Å
505E71.9Confident74.5Confident145 Ų145109.1 Ų109.168%0.67853%0.525SS*.Hα-helixtrans-63.9-40.3172.3-74.2-171168.500111.6E501 E502 S508 S509E501-E505 PolarHBondContact O-N 3.36Å; E502-E505 PolarHBondContact O-N 3.05Å; E505-S508 PolarHBondContact O-N 2.98Å; E505-S509 WeakPolarHBondContact O-CB 3.48Å; E505-S509 PolarHBondContact O-N 3.34Å
506H75Confident74Confident120 Ų120108.6 Ų108.656%0.55653%0.525SS*.Hα-helixtrans-66.1-38.4176.2-159.2-29.4000112.1E502 Q503 S509 L510E502-H506 WeakPolarHBondContact O-CB 3.45Å; E502-H506 PolarHBondContact O-N 3Å; Q503-H506 PolarHBondContact O-N 3.41Å; H506-S509 PolarHBondContact O-N 3.44Å; H506-L510 WeakPolarHBondContact O-CG 3.47Å; H506-L510 PolarHBondContact O-N 3.31Å
507V73Confident73.2Confident78 Ų78108.6 Ų108.647%0.47353%0.528SS..Hα-helixtrans-65.3-45.5172.8170.40000110.4Q503 Q504 S509 L510 E511Q503-V507 VanDerWaalsContact O-CG2 3.32Å; Q503-V507 WeakPolarHBondContact O-CG2 3.37Å; Q503-V507 PolarHBondContact O-N 3.21Å; Q504-V507 PolarHBondContact O-N 3.26Å; V507-S509 VanDerWaalsContact C-N 3.32Å; V507-S509 PolarHBondContact O-N 3.34Å; V507-L510 CarbonylContact O-C 3.56Å; V507-L510 WeakPolarHBondContact O-CA 3.48Å; V507-L510 WeakPolarHBondContact O-CB 3.35Å; V507-L510 PolarHBondContact O-N 3.3Å; V507-E511 HydrophobicContact CG1-CG 4.46Å; V507-E511 WeakPolarHBondContact O-CG 3.45Å; V507-E511 PolarHBondContact O-N 2.94Å
508S73.3Confident72.9Confident54 Ų54110.9 Ų110.938%0.37853%0.531SS..Hα-helixtrans-59.3-41.2175.9-175.50000112.2Q504 E505 L510 E511 E512Q504-S508 WeakPolarHBondContact O-CB 3.37Å; Q504-S508 PolarHBondContact O-N 2.86Å; E505-S508 PolarHBondContact O-N 2.98Å; S508-L510 PolarHBondContact O-N 3.44Å; S508-E511 WeakPolarHBondContact O-CB 3.48Å; S508-E511 PolarHBondContact O-N 2.92Å; S508-E512 PolarHBondContact O-N 3.44Å
509S73.5Confident72.2Confident46 Ų46104.9 Ų104.932%0.32252%0.518SS..Hα-helixtrans-63.1-39.4173.3-178.40000112.5E505 H506 V507 E512 K513E505-S509 WeakPolarHBondContact O-CB 3.48Å; E505-S509 PolarHBondContact O-N 3.34Å; H506-S509 PolarHBondContact O-N 3.44Å; V507-S509 VanDerWaalsContact C-N 3.32Å; V507-S509 PolarHBondContact O-N 3.34Å; S509-E512 PolarHBondContact O-N 3.19Å; S509-K513 WeakPolarHBondContact O-CG 3.29Å; S509-K513 PolarHBondContact O-N 3.22Å
510L71.2Confident71.5Confident88 Ų88102.5 Ų102.546%0.46151%0.51SS..Hα-helixtrans-67.1-38.2174.2-73168.8000111.6H506 V507 S508 K513 L514H506-L510 WeakPolarHBondContact O-CG 3.47Å; H506-L510 PolarHBondContact O-N 3.31Å; V507-L510 CarbonylContact O-C 3.56Å; V507-L510 WeakPolarHBondContact O-CA 3.48Å; V507-L510 WeakPolarHBondContact O-CB 3.35Å; V507-L510 PolarHBondContact O-N 3.3Å; S508-L510 PolarHBondContact O-N 3.44Å; L510-K513 PolarHBondContact O-N 3.16Å; L510-L514 WeakPolarHBondContact O-CB 3.46Å; L510-L514 PolarHBondContact O-N 3.48Å
511E72.6Confident71Confident105 Ų105103.1 Ų103.149%0.49151%0.514SS..Hα-helixtrans-66.4-35.7173.6-71.8-176.6163.700112.4V507 S508 L514 R515V507-E511 HydrophobicContact CG1-CG 4.46Å; V507-E511 WeakPolarHBondContact O-CG 3.45Å; V507-E511 PolarHBondContact O-N 2.94Å; S508-E511 WeakPolarHBondContact O-CB 3.48Å; S508-E511 PolarHBondContact O-N 2.92Å; E511-L514 PolarHBondContact O-N 3.3Å; E511-R515 WeakPolarHBondContact O-CB 3.32Å; E511-R515 WeakPolarHBondContact O-CG 3.36Å; E511-R515 PolarHBondContact O-N 2.83Å
512E72.6Confident70.4Confident123 Ų123103.7 Ų103.758%0.57552%0.517SS*.Hα-helixtrans-65.3-42.6170.7-113-176.1168.900112.2S508 S509 L514 R515 S516S508-E512 PolarHBondContact O-N 3.44Å; S509-E512 PolarHBondContact O-N 3.19Å; E512-L514 VanDerWaalsContact C-N 3.31Å; E512-L514 PolarHBondContact O-N 2.95Å; E512-R515 WeakPolarHBondContact O-CB 3.36Å; E512-R515 PolarHBondContact O-N 2.82Å; E512-S516 PolarHBondContact O-N 3.01Å
513K72.3Confident69.7Low118 Ų118104.3 Ų104.351%0.51352%0.52SS..Hα-helixtrans-63.1-37171.8-73.8174-177.9171.50111.9S509 L510 S516 L517S509-K513 WeakPolarHBondContact O-CG 3.29Å; S509-K513 PolarHBondContact O-N 3.22Å; L510-K513 PolarHBondContact O-N 3.16Å; K513-S516 PolarHBondContact O-N 2.85Å; K513-S516 PolarHBondContact O-OG 3.11Å; K513-L517 WeakPolarHBondContact O-CB 3.23Å; K513-L517 PolarHBondContact O-N 3.41Å
514L68.8Low69.1Low88 Ų88104 Ų10446%0.46152%0.521SS..Hα-helixtrans-67.9-36.1174-114.3153.9000111.9L510 E511 E512 R518L510-L514 WeakPolarHBondContact O-CB 3.46Å; L510-L514 PolarHBondContact O-N 3.48Å; E511-L514 PolarHBondContact O-N 3.3Å; E512-L514 VanDerWaalsContact C-N 3.31Å; E512-L514 PolarHBondContact O-N 2.95Å; L514-R518 WeakPolarHBondContact O-CB 3.5Å; L514-R518 VanDerWaalsContact O-CG 3.31Å; L514-R518 WeakPolarHBondContact O-CG 3.38Å; L514-R518 PolarHBondContact O-N 3.43Å
515R73.9Confident68.5Low137 Ų137102.9 Ų102.952%0.51752%0.516SS..Hα-helixtrans-66-42172.3-82-177.7-80.9-158.7-2.5111.9E511 E512 R518 A519E511-R515 WeakPolarHBondContact O-CB 3.32Å; E511-R515 WeakPolarHBondContact O-CG 3.36Å; E511-R515 PolarHBondContact O-N 2.83Å; E512-R515 WeakPolarHBondContact O-CB 3.36Å; E512-R515 PolarHBondContact O-N 2.82Å; R515-R518 PolarHBondContact O-N 3.48Å; R515-A519 WeakPolarHBondContact O-CB 3.35Å; R515-A519 PolarHBondContact O-N 3.45Å
516S70.4Confident67.9Low72 Ų72101.8 Ų101.850%0.50351%0.513SS..Hα-helixtrans-68.7-36.3176.476.20000112.5E512 K513 A519 S520E512-S516 PolarHBondContact O-N 3.01Å; K513-S516 PolarHBondContact O-N 2.85Å; K513-S516 PolarHBondContact O-OG 3.11Å; S516-A519 PolarHBondContact O-N 3.47Å; S516-S520 PolarHBondContact O-N 3.5Å
517L65.4Low67.1Low113 Ų113101.9 Ų101.959%0.59251%0.513SS*.Hα-helixtrans-65.3-38.2170.2-99.1144.3000112.7K513 A519 S520 M521K513-L517 WeakPolarHBondContact O-CB 3.23Å; K513-L517 PolarHBondContact O-N 3.41Å; L517-A519 VanDerWaalsContact C-N 3.34Å; L517-S520 PolarHBondContact O-N 3.26Å; L517-S520 PolarHBondContact O-OG 3.49Å; L517-M521 VanDerWaalsContact O-CB 3.3Å; L517-M521 WeakPolarHBondContact O-CB 3.39Å; L517-M521 PolarHBondContact O-N 3.31Å
518R68.1Low66.2Low149 Ų149101.3 Ų101.356%0.56251%0.512SS*.Hα-helixtrans-66.7-36172.3-78174.1-176.6156.72.2111.8L514 R515 M521 Q522L514-R518 WeakPolarHBondContact O-CB 3.5Å; L514-R518 VanDerWaalsContact O-CG 3.31Å; L514-R518 WeakPolarHBondContact O-CG 3.38Å; L514-R518 PolarHBondContact O-N 3.43Å; R515-R518 PolarHBondContact O-N 3.48Å; R518-M521 PolarHBondContact O-N 2.99Å; R518-Q522 WeakPolarHBondContact O-CG 3.44Å; R518-Q522 PolarHBondContact O-N 3.45Å
519A66.4Low65.3Low47 Ų47101.6 Ų101.639%0.38851%0.514SS..Hα-helixtrans-68-40.317500000112.2R515 S516 L517 M521 Q522 Q523R515-A519 WeakPolarHBondContact O-CB 3.35Å; R515-A519 PolarHBondContact O-N 3.45Å; S516-A519 PolarHBondContact O-N 3.47Å; L517-A519 VanDerWaalsContact C-N 3.34Å; A519-M521 VanDerWaalsContact C-N 3.34Å; A519-Q522 PolarHBondContact O-N 3.07Å; A519-Q523 PolarHBondContact O-N 3.04Å
520S65.1Low64.4Low49 Ų49105.8 Ų105.834%0.34353%0.528SS..Hα-helixtrans-68-35.2173.471.10000112S516 L517 Q523 L524S516-S520 PolarHBondContact O-N 3.5Å; L517-S520 PolarHBondContact O-N 3.26Å; L517-S520 PolarHBondContact O-OG 3.49Å; S520-Q523 PolarHBondContact O-N 3.3Å; S520-L524 PolarHBondContact O-N 3.04Å
521M65.7Low63.6Low116 Ų116107.6 Ų107.657%0.57153%0.534SS*.Hα-helixtrans-64.6-39.6171.8-157.4-178.381.500111.7L517 R518 A519 L524 Q525L517-M521 VanDerWaalsContact O-CB 3.3Å; L517-M521 WeakPolarHBondContact O-CB 3.39Å; L517-M521 PolarHBondContact O-N 3.31Å; R518-M521 PolarHBondContact O-N 2.99Å; A519-M521 VanDerWaalsContact C-N 3.34Å; M521-L524 PolarHBondContact O-N 3.31Å; M521-Q525 VanDerWaalsContact O-CB 3.29Å; M521-Q525 WeakPolarHBondContact O-CB 3.34Å; M521-Q525 PolarHBondContact O-N 2.85Å
522Q63.2Low62.6Low132 Ų132109.8 Ų109.862%0.61754%0.542SS*.Hα-helixtrans-65.5-36.7173-78178.8-14.900112.4R518 A519 Q525 M526R518-Q522 WeakPolarHBondContact O-CG 3.44Å; R518-Q522 PolarHBondContact O-N 3.45Å; A519-Q522 PolarHBondContact O-N 3.07Å; Q522-Q525 PolarHBondContact O-N 3.48Å; Q522-M526 PolarHBondContact O-N 2.98Å
523Q59Low61.7Low139 Ų139111.3 Ų111.365%0.6555%0.549SS*.Hα-helixtrans-65.8-40.2172.6-74.8-176-2200112.4A519 S520 M526 H527A519-Q523 PolarHBondContact O-N 3.04Å; S520-Q523 PolarHBondContact O-N 3.3Å; Q523-M526 PolarHBondContact O-N 3.43Å; Q523-H527 PolarHBondContact O-N 3Å; Q523-H527 VanDerWaalsContact O-N 3.11Å
524L58.9Low60.9Low117 Ų117109.8 Ų109.861%0.61355%0.554SS**Hα-helixtrans-66.1-34.8171.8-92.4147.8000112.7S520 M521 H527 C528S520-L524 PolarHBondContact O-N 3.04Å; M521-L524 PolarHBondContact O-N 3.31Å; L524-H527 WeakPolarHBondContact O-CB 3.47Å; L524-H527 PolarHBondContact O-N 3.19Å; L524-C528 PolarHBondContact O-N 3.45Å
525Q57.8Low60.2Low124 Ų124109.6 Ų109.658%0.57955%0.552SS**Hα-helixtrans-69.9-33.5176.4-162.3172.40.100111.7M521 Q522 C528 S529M521-Q525 VanDerWaalsContact O-CB 3.29Å; M521-Q525 WeakPolarHBondContact O-CB 3.34Å; M521-Q525 PolarHBondContact O-N 2.85Å; Q522-Q525 PolarHBondContact O-N 3.48Å; Q525-C528 PolarHBondContact O-N 2.83Å; Q525-S529 PolarHBondContact O-N 3.01Å
526M58.7Low59.2Low123 Ų123107.1 Ų107.161%0.60656%0.556SS**Hα-helixtrans-68.3-37.7171.2-157.9178.153.700111.4Q522 Q523 S529 Q530Q522-M526 PolarHBondContact O-N 2.98Å; Q523-M526 PolarHBondContact O-N 3.43Å; M526-S529 WeakPolarHBondContact CA-OG 3.44Å; M526-S529 PolarHBondContact O-N 3.34Å; M526-S529 VanDerWaalsContact O-N 3.17Å; M526-S529 PolarHBondContact O-OG 3.13Å; M526-Q530 PolarHBondContact O-N 3.34Å
527H58.2Low58.5Low122 Ų122111.8 Ų111.857%0.56557%0.57SS**Hα-helixtrans-66.8-35172.4-151.2-74.8000112.7Q523 L524 Q531Q523-H527 PolarHBondContact O-N 3Å; Q523-H527 VanDerWaalsContact O-N 3.11Å; L524-H527 WeakPolarHBondContact O-CB 3.47Å; L524-H527 PolarHBondContact O-N 3.19Å; H527-Q531 PolarHBondContact O-N 3.48Å
528C54.4Low58Low65 Ų65112.6 Ų112.644%0.43957%0.574SS.*Hα-helixtrans-69.7-29.5170.4-77.60000113L524 Q525 Q531 K532L524-C528 PolarHBondContact O-N 3.45Å; Q525-C528 PolarHBondContact O-N 2.83Å; C528-Q531 PolarHBondContact O-N 2.81Å; C528-K532 WeakPolarHBondContact O-CG 3.39Å; C528-K532 PolarHBondContact O-N 3.28Å
529S55.6Low56.9Low60 Ų60111.7 Ų111.742%0.4258%0.576SS.*Hα-helixtrans-70.4-32.3177.775.10000112.9Q525 M526 K532 Q533Q525-S529 PolarHBondContact O-N 3.01Å; M526-S529 WeakPolarHBondContact CA-OG 3.44Å; M526-S529 PolarHBondContact O-N 3.34Å; M526-S529 VanDerWaalsContact O-N 3.17Å; M526-S529 PolarHBondContact O-OG 3.13Å; S529-K532 PolarHBondContact O-N 3.15Å; S529-Q533 PolarHBondContact O-N 3.43Å
530Q55Low56.4Low134 Ų134113.4 Ų113.463%0.62659%0.59SS**Hα-helixtrans-70.6-31.4172.4-75.5176.2-19.100112.7M526M526-Q530 PolarHBondContact O-N 3.34Å
531Q53.7Low55.8Low127 Ų127120.3 Ų120.359%0.59361%0.614SS**Hα-helixtrans-75.4-29171.1-76.2-176.2-2700113.2H527 C528 Q533 S534H527-Q531 PolarHBondContact O-N 3.48Å; C528-Q531 PolarHBondContact O-N 2.81Å; Q531-Q533 VanDerWaalsContact C-N 3.33Å; Q531-Q533 PolarHBondContact O-N 2.97Å; Q531-S534 WeakPolarHBondContact O-CB 3.48Å; Q531-S534 PolarHBondContact O-N 3.46Å
532K51.6Low54.7Low151 Ų151117.5 Ų117.566%0.65761%0.606SS**Hα-helixtrans-68.3-26.5176.3-82.9178.8175.6-177.90113.9C528 S529 S534 I535 S536C528-K532 WeakPolarHBondContact O-CG 3.39Å; C528-K532 PolarHBondContact O-N 3.28Å; S529-K532 PolarHBondContact O-N 3.15Å; K532-S534 PolarHBondContact O-N 3.49Å; K532-I535 PolarHBondContact O-N 3.04Å; K532-S536 PolarHBondContact O-N 2.88Å
533Q54.6Low53.9Low154 Ų154115.7 Ų115.772%0.7261%0.608SS**THydrogen-bonded Turntrans-68.5-25.6174.5-153.6168.53.600112.2S529 Q531S529-Q533 PolarHBondContact O-N 3.43Å; Q531-Q533 VanDerWaalsContact C-N 3.33Å; Q531-Q533 PolarHBondContact O-N 2.97Å
534S54.3Low53.6Low87 Ų87117.1 Ų117.161%0.60861%0.614SS**THydrogen-bonded Turntrans-81.8-13.8173.4-155.40000113.9Q531 K532Q531-S534 WeakPolarHBondContact O-CB 3.48Å; Q531-S534 PolarHBondContact O-N 3.46Å; K532-S534 PolarHBondContact O-N 3.49Å
535I55.1Low53.2Low84 Ų84118.4 Ų118.443%0.43162%0.617SS.*THydrogen-bonded Turntrans-95.4-21178-66.8171.8000111.4K532 E537 L538 Q539K532-I535 PolarHBondContact O-N 3.04Å; I535-E537 PolarHBondContact O-N 3.49Å; I535-L538 PolarHBondContact O-N 3.48Å; I535-Q539 PolarHBondContact O-N 3.31Å
536S53Low52.4Low85 Ų85116.2 Ų116.259%0.59462%0.616SS**THydrogen-bonded Turntrans-62.5-18.5174.2-175.90000114.2K532K532-S536 PolarHBondContact O-N 2.88Å
537E53.9Low52.3Low170 Ų170118.5 Ų118.579%0.79463%0.627SS**THydrogen-bonded Turntrans-81.7-15.2171.9-70.9-179.2162.200112.8I535I535-E537 PolarHBondContact O-N 3.49Å
538L56.3Low52.1Low129 Ų129120.9 Ų120.968%0.67564%0.638SS**THydrogen-bonded Turntrans-103.4-15.3179.5-74.8167.8000114I535I535-L538 PolarHBondContact O-N 3.48Å
539Q45Very low51.7Low131 Ų131121.5 Ų121.561%0.61264%0.64SS**G310 helixtrans-93.32.8-178-88.4178.8-35.600116I535 K541 S542I535-Q539 PolarHBondContact O-N 3.31Å; Q539-K541 PolarHBondContact O-N 2.87Å; Q539-S542 PolarHBondContact O-N 3.49Å
540A55Low51.6Low83 Ų83123.9 Ų123.969%0.68665%0.648SS**G310 helixtrans-65.9-11.3161.900000113.1S543A540-S543 PolarHBondContact O-OG 3.25Å
541K53.8Low51.6Low193 Ų193120.5 Ų120.584%0.83965%0.649SS**G310 helixtrans-92.2-2.4173.5-78.8179.4175.3175.40114.6Q539Q539-K541 PolarHBondContact O-N 2.87Å
542S41.3Very low51.6Low57 Ų57121 Ų12140%0.39966%0.655SS.*  trans-117.713.4-175.5-165.70000114.2Q539 H544Q539-S542 PolarHBondContact O-N 3.49Å; S542-H544 PolarHBondContact O-N 2.95Å
543S45.9Very low51.6Low94 Ų94122 Ų12266%0.65766%0.655SS**THydrogen-bonded Turntrans-60.9-2.3167.544.60000114A540A540-S543 PolarHBondContact O-OG 3.25Å
544H54Low51.7Low169 Ų169124.7 Ų124.778%0.78266%0.658SS**THydrogen-bonded Turntrans-87.6-20.3-178.4-162.345.1000114.2S542S542-H544 PolarHBondContact O-N 2.95Å
545Q49.3Very low51.7Low145 Ų145129 Ų12968%0.67866%0.661SS**SBendtrans-95.14.4-179-70-179.6-39.200113.6M547Q545-M547 PolarHBondContact O-N 3.25Å; Q545-M547 VanDerWaalsContact O-N 3.11Å
546S42.2Very low51.7Low78 Ų78130 Ų13055%0.54567%0.666SS.*THydrogen-bonded Turntrans-68.91.3-179-1740000115.5T549S546-T549 PolarHBondContact O-OG1 2.98Å
547M55.7Low52Low170 Ų170132.5 Ų132.584%0.83767%0.669SS**THydrogen-bonded Turntrans-97.2-17.1-176.8-65-1718800114.3Q545 T549Q545-M547 PolarHBondContact O-N 3.25Å; Q545-M547 VanDerWaalsContact O-N 3.11Å; M547-T549 VanDerWaalsContact C-N 3.35Å
548E53.7Low52Low172 Ų172130.2 Ų130.280%0.80466%0.658SS**THydrogen-bonded Turntrans-82.9-11.9178.3-79.9-177.314400113.6
549T47.3Very low51.9Low78 Ų78130.3 Ų130.348%0.47966%0.658SS.*THydrogen-bonded Turntrans-82.2-7.2179.938.20000115.5S546 M547S546-T549 PolarHBondContact O-OG1 2.98Å; M547-T549 VanDerWaalsContact C-N 3.35Å
550D53.1Low52Low111 Ų111130.4 Ų130.459%0.59466%0.659SS**SBendtrans-89-17.3-178.6-77.5-14.6000113.7
551G56.1Low51.9Low63 Ų63133.8 Ų133.865%0.64966%0.661SS**SBendtrans-77.3-26.3178.800000114.8
552L53.4Low51.8Low136 Ų136130.9 Ų130.971%0.71265%0.654SS**SBendtrans-90.4-8-175.7-69.9168.5000113.8
553R50.2Low52.2Low173 Ų173134.2 Ų134.265%0.65367%0.667SS**SBendtrans-77.6-32.2-179.9-74.3-176-169.6-130.12.1114.3R555 I556R553-R555 VanDerWaalsContact C-N 3.27Å; R553-R555 PolarHBondContact O-N 2.97Å; R553-I556 PolarHBondContact O-N 3.47Å
554R57.1Low52.4Low210 Ų210133.1 Ų133.179%0.79266%0.659SS**THydrogen-bonded Turntrans-72.1-15.1-177.9-71.4-177.6-172.8156.14.2114.6
555R55.4Low52.7Low178 Ų178127.2 Ų127.267%0.67264%0.644SS**THydrogen-bonded Turntrans-89.3-9.9179.3-16456.5169.7178.2-2.9113.5R553 E558R553-R555 VanDerWaalsContact C-N 3.27Å; R553-R555 PolarHBondContact O-N 2.97Å; R555-E558 IonicContact NH1-OE2 2.84Å; R555-E558 PolarHBondContact NH1-OE2 3.09Å; R555-E558 VanDerWaalsContact NH1-OE2 3.09Å
556I55Low53Low105 Ų105128.1 Ų128.154%0.53865%0.646SS.*THydrogen-bonded Turntrans-93.3-25-178.6-66.9175.6000111.5R553R553-I556 PolarHBondContact O-N 3.47Å
557E57.7Low53.5Low137 Ų137131.1 Ų131.164%0.6465%0.651SS**SBendtrans-74.6-29.4-179.9-72.8172.7167.200113.5L559E557-L559 PolarHBondContact O-N 3.33Å
558E55.3Low53.5Low122 Ų122130.6 Ų130.657%0.5765%0.647SS**THydrogen-bonded Turntrans-70.5-27.5176.4-73.2177.8154.300113.3R555R555-E558 IonicContact NH1-OE2 2.84Å; R555-E558 PolarHBondContact NH1-OE2 3.09Å; R555-E558 VanDerWaalsContact NH1-OE2 3.09Å
559L53.7Low53.6Low131 Ų131129.3 Ų129.369%0.68664%0.641SS**THydrogen-bonded Turntrans-88.3-7-178.1-73.3167.9000113.7E557E557-L559 PolarHBondContact O-N 3.33Å
560Q47.2Very low54Low134 Ų134133.3 Ų133.363%0.62665%0.652SS**THydrogen-bonded Turntrans-92.5-14.1177.6-76.1-179.8-33.900113.5
561Q52.3Low54.1Low154 Ų154135 Ų13572%0.7266%0.658SS**THydrogen-bonded Turntrans-81.5-31.1178.7-157.3167.50.800112.5S564Q561-S564 PolarHBondContact O-OG 3.5Å; Q561-S564 VanDerWaalsContact O-OG 3.06Å
562D52.7Low54.2Low132 Ų132135.1 Ų135.171%0.70665%0.653SS**THydrogen-bonded Turntrans-78.3-19.8179.1-79.4-13.1000114.6
563L49.4Very low54.4Low126 Ų126134.2 Ų134.266%0.6664%0.644SS**Hα-helixtrans-80-26.8179.1-147.188.1000112.5
564S50Low54.7Low72 Ų72131 Ų13150%0.50364%0.644SS.*Hα-helixtrans-76.5-21.3-17771.50000114.4Q561Q561-S564 PolarHBondContact O-OG 3.5Å; Q561-S564 VanDerWaalsContact O-OG 3.06Å
565G60Low54.7Low45 Ų45124.6 Ų124.646%0.46463%0.632SS.*Hα-helixtrans-76.9-30.5177.300000114.2
566K55.2Low55.1Low163 Ų163123.2 Ų123.271%0.70963%0.626SS**Hα-helixtrans-82.7-18.2-177.4-74.6-168174.5-177.30114.5
567E53.7Low55.4Low142 Ų142121.7 Ų121.766%0.66462%0.621SS**Hα-helixtrans-80.6-24.4176.5-75.9-177.7154.400113
568Q54.7Low55.6Low159 Ų159124.5 Ų124.574%0.74363%0.626SS**Hα-helixtrans-77.1-29.6174.3-76.9-176.3-18.600113.4
569E56.6Low56Low145 Ų145122.9 Ų122.968%0.67862%0.624SS**Hα-helixtrans-68.1-37.4175.3-106176.6166.300112.6E573E569-E573 PolarHBondContact O-N 3.1Å
570K55.1Low56.4Low162 Ų162120.7 Ų120.770%0.70461%0.611SS**Hα-helixtrans-72.3-30.9-178.4-115-169.7178-173.60114.3
571M55.1Low56.9Low146 Ų146119 Ų11972%0.71961%0.606SS**Hα-helixtrans-74.4-29.3177.6-92.1-95-77.800112.9S575M571-S575 PolarHBondContact O-OG 2.99Å
572A57.8Low57.1Low66 Ų66117.8 Ų117.855%0.54560%0.603SS.*Hα-helixtrans-72.8-33.6175.800000112.4S575 R576A572-S575 PolarHBondContact O-N 3.44Å; A572-R576 PolarHBondContact O-N 2.96Å
573E58Low57.5Low116 Ų116117.3 Ų117.354%0.54260%0.597SS.*Hα-helixtrans-75.8-36.1-177.1-145159.9-151.400112.9E569 S575 R576 V577E569-E573 PolarHBondContact O-N 3.1Å; E573-S575 VanDerWaalsContact C-N 3.31Å; E573-S575 PolarHBondContact O-N 2.9Å; E573-R576 PolarHBondContact O-N 3.04Å; E573-V577 PolarHBondContact O-N 3.48Å
574V57.6Low58Low106 Ų106117.2 Ų117.264%0.64259%0.593SS**Hα-helixtrans-69.2-29.4174.5175.40000112.2
575S57Low58.7Low76 Ų76118.2 Ų118.253%0.53159%0.592SS.*Hα-helixtrans-76.4-27.9176.1-55.40000112.5M571 A572 E573M571-S575 PolarHBondContact O-OG 2.99Å; A572-S575 PolarHBondContact O-N 3.44Å; E573-S575 VanDerWaalsContact C-N 3.31Å; E573-S575 PolarHBondContact O-N 2.9Å
576R63.4Low59Low149 Ų149118 Ų11856%0.56259%0.59SS**Hα-helixtrans-73-44.2177.2-154.5-178.383.1-152.2-2.8112.5A572 E573 R578 V579 E580A572-R576 PolarHBondContact O-N 2.96Å; E573-R576 PolarHBondContact O-N 3.04Å; R576-R578 VanDerWaalsContact C-N 3.28Å; R576-R578 PolarHBondContact O-N 2.84Å; R576-V579 PolarHBondContact O-N 3.44Å; R576-E580 IonicContact NE-OE1 3.01Å; R576-E580 PolarHBondContact NE-OE1 3.47Å; R576-E580 PolarHBondContact O-N 3.5Å
577V61.4Low59.4Low72 Ų72116.1 Ų116.144%0.43658%0.584SS.*Hα-helixtrans-66.8-28.4179.8176.20000112.4E573 L581E573-V577 PolarHBondContact O-N 3.48Å; V577-L581 HydrophobicContact CG1-CD1 4.21Å; V577-L581 PolarHBondContact O-N 3.09Å
578R60.8Low59.7Low196 Ų196115 Ų11574%0.7458%0.581SS**Hα-helixtrans-75.5-25.5178.4-159.3176.6-179.9-171.8-0113.4R576R576-R578 VanDerWaalsContact C-N 3.28Å; R576-R578 PolarHBondContact O-N 2.84Å
579V65.2Low60Low88 Ų88114 Ų11453%0.53358%0.577SS.*Hα-helixtrans-82-39.4174.9174.90000110.8R576 L581 L582 E583R576-V579 PolarHBondContact O-N 3.44Å; V579-L581 VanDerWaalsContact C-N 3.3Å; V579-L581 PolarHBondContact O-N 2.96Å; V579-L582 PolarHBondContact O-N 3.45Å; V579-E583 PolarHBondContact O-N 3.18Å; V579-E583 VanDerWaalsContact O-N 3.12Å
580E62Low60.2Low85 Ų85109.7 Ų109.740%0.39757%0.566SS.*Hα-helixtrans-62.1-32.7175.9-73.6169.5-17200112.8R576 Q584R576-E580 IonicContact NE-OE1 3.01Å; R576-E580 PolarHBondContact NE-OE1 3.47Å; R576-E580 PolarHBondContact O-N 3.5Å; E580-Q584 WeakPolarHBondContact O-CG 3.42Å; E580-Q584 PolarHBondContact O-N 3.45Å
581L57.4Low60.5Low100 Ų100106.6 Ų106.652%0.52456%0.557SS.*Hα-helixtrans-76.4-27176.9-109.1127.1000114.1V577 V579 I585V577-L581 HydrophobicContact CG1-CD1 4.21Å; V577-L581 PolarHBondContact O-N 3.09Å; V579-L581 VanDerWaalsContact C-N 3.3Å; V579-L581 PolarHBondContact O-N 2.96Å; L581-I585 WeakPolarHBondContact O-CD1 3.44Å; L581-I585 WeakPolarHBondContact O-CG1 3.24Å
582L56.3Low61.1Low128 Ų128106.2 Ų106.267%0.6755%0.552SS**Hα-helixtrans-82.8-29176-79.6166.6000112.1V579 G586V579-L582 PolarHBondContact O-N 3.45Å; L582-G586 PolarHBondContact O-N 2.95Å
583E61.6Low61.4Low121 Ų121107.5 Ų107.557%0.56555%0.553SS**Hα-helixtrans-68.3-40.3169.6-83.7-178.5147.400112.4V579 I585 G586 Q587V579-E583 PolarHBondContact O-N 3.18Å; V579-E583 VanDerWaalsContact O-N 3.12Å; E583-I585 VanDerWaalsContact C-N 3.33Å; E583-I585 PolarHBondContact O-N 2.89Å; E583-G586 PolarHBondContact O-N 3.06Å; E583-Q587 PolarHBondContact O-N 3.34Å; E583-Q587 PolarHBondContact O-OE1 2.8Å
584Q59.6Low61.6Low124 Ų124104.4 Ų104.458%0.57955%0.547SS*.Hα-helixtrans-65.7-31.7179-76.1178.2800113.9E580 L588E580-Q584 WeakPolarHBondContact O-CG 3.42Å; E580-Q584 PolarHBondContact O-N 3.45Å; Q584-L588 WeakPolarHBondContact O-CG 3.48Å; Q584-L588 PolarHBondContact O-N 3.42Å
585I64.1Low61.6Low93 Ų93105.8 Ų105.848%0.47755%0.546SS..Hα-helixtrans-72.6-37.8176.3-66170.2000110.7L581 E583 L588 E589L581-I585 WeakPolarHBondContact O-CD1 3.44Å; L581-I585 WeakPolarHBondContact O-CG1 3.24Å; E583-I585 VanDerWaalsContact C-N 3.33Å; E583-I585 PolarHBondContact O-N 2.89Å; I585-L588 PolarHBondContact O-N 2.97Å; I585-E589 PolarHBondContact O-N 2.88Å
586G67Low61.8Low42 Ų42108.4 Ų108.443%0.43355%0.55SS.*Hα-helixtrans-68.1-34.4173.700000114L582 E583 A590L582-G586 PolarHBondContact O-N 2.95Å; E583-G586 PolarHBondContact O-N 3.06Å; G586-A590 PolarHBondContact O-N 2.68Å
587Q63.2Low61.8Low122 Ų122103.3 Ų103.357%0.5754%0.544SS*.Hα-helixtrans-65.5-40.2174.1-123.9102.418.800112.2E583 A590 D591E583-Q587 PolarHBondContact O-N 3.34Å; E583-Q587 PolarHBondContact O-OE1 2.8Å; Q587-A590 PolarHBondContact O-N 3.11Å; Q587-D591 PolarHBondContact O-N 2.94Å
588L60Low61.8Low118 Ų118104.6 Ų104.662%0.61855%0.548SS*.Hα-helixtrans-72.2-30.6-178.2-75.1166.6000113.4Q584 I585 K592Q584-L588 WeakPolarHBondContact O-CG 3.48Å; Q584-L588 PolarHBondContact O-N 3.42Å; I585-L588 PolarHBondContact O-N 2.97Å; L588-K592 PolarHBondContact O-N 3.36Å
589E60.3Low61.8Low139 Ų139102.8 Ų102.865%0.6555%0.546SS*.Hα-helixtrans-75.7-30.3172.8-72.4-175.415500112.5I585 T593I585-E589 PolarHBondContact O-N 2.88Å; E589-T593 PolarHBondContact O-N 2.95Å; E589-T593 PolarHBondContact O-OG1 3.28Å
590A62.2Low61.7Low54 Ų54102 Ų10245%0.44655%0.548SS..Hα-helixtrans-71.2-38.1170.900000112.7G586 Q587 K592 T593 A594G586-A590 PolarHBondContact O-N 2.68Å; Q587-A590 PolarHBondContact O-N 3.11Å; A590-K592 VanDerWaalsContact C-N 3.34Å; A590-K592 PolarHBondContact O-N 3.27Å; A590-T593 PolarHBondContact O-N 3.45Å; A590-T593 PolarHBondContact O-OG1 2.98Å; A590-A594 WeakPolarHBondContact O-CB 3.36Å; A590-A594 PolarHBondContact O-N 3.41Å
591D60.8Low61.6Low98 Ų98104.8 Ų104.852%0.52456%0.559SS.*Hα-helixtrans-68.7-30.9176.9-81.2-15.5000112.9Q587 Q595Q587-D591 PolarHBondContact O-N 2.94Å; D591-Q595 WeakPolarHBondContact O-CB 3.35Å; D591-Q595 WeakPolarHBondContact O-CG 3.31Å; D591-Q595 PolarHBondContact O-N 2.89Å
592K66.5Low61.9Low138 Ų138104.1 Ų104.160%0.656%0.555SS**Hα-helixtrans-69.1-40.2174.9-169.8177.9178-176.50112.5L588 A590 Q595 E596L588-K592 PolarHBondContact O-N 3.36Å; A590-K592 VanDerWaalsContact C-N 3.34Å; A590-K592 PolarHBondContact O-N 3.27Å; K592-Q595 PolarHBondContact O-N 3.31Å; K592-E596 PolarHBondContact O-N 3.48Å
593T65.3Low62.3Low93 Ų93100.5 Ų100.557%0.57154%0.541SS*.Hα-helixtrans-74.5-30.8175.851.60000112.2E589 A590 E596 G597E589-T593 PolarHBondContact O-N 2.95Å; E589-T593 PolarHBondContact O-OG1 3.28Å; A590-T593 PolarHBondContact O-N 3.45Å; A590-T593 PolarHBondContact O-OG1 2.98Å; T593-E596 PolarHBondContact O-N 3.47Å; T593-G597 PolarHBondContact O-N 2.91Å
594A61.5Low62.5Low50 Ų5096.8 Ų96.841%0.41353%0.531SS..Hα-helixtrans-67.7-35.1169.300000113A590 G597 L598A590-A594 WeakPolarHBondContact O-CB 3.36Å; A590-A594 PolarHBondContact O-N 3.41Å; A594-G597 PolarHBondContact O-N 2.91Å; A594-L598 WeakPolarHBondContact O-CB 3.49Å; A594-L598 WeakPolarHBondContact O-CG 3.27Å; A594-L598 PolarHBondContact O-N 3.5Å
595Q58.7Low62.6Low135 Ų13595.2 Ų95.263%0.63153%0.526SS*.Hα-helixtrans-65.6-35.6173.9-89.1-170.8-11.600113.5D591 K592 L598 K599D591-Q595 WeakPolarHBondContact O-CB 3.35Å; D591-Q595 WeakPolarHBondContact O-CG 3.31Å; D591-Q595 PolarHBondContact O-N 2.89Å; K592-Q595 PolarHBondContact O-N 3.31Å; Q595-L598 PolarHBondContact O-N 3.26Å; Q595-K599 PolarHBondContact O-N 3Å
596E61.5Low62.5Low131 Ų13196.5 Ų96.561%0.61253%0.53SS*.Hα-helixtrans-70.1-36.3175.2-71.6179173.200111.8K592 T593 K599 A600K592-E596 PolarHBondContact O-N 3.48Å; T593-E596 PolarHBondContact O-N 3.47Å; E596-K599 PolarHBondContact O-N 3.16Å; E596-A600 PolarHBondContact O-N 3.01Å
597G63.6Low62.4Low43 Ų43103 Ų10344%0.44354%0.541SS..Hα-helixtrans-67-35.3169.800000113.9T593 A594 A600 K601T593-G597 PolarHBondContact O-N 2.91Å; A594-G597 PolarHBondContact O-N 2.91Å; G597-A600 PolarHBondContact O-N 2.97Å; G597-K601 PolarHBondContact O-N 3.35Å; G597-K601 VanDerWaalsContact O-N 3.12Å
598L61Low62.4Low99 Ų99103 Ų10352%0.51854%0.541SS..Hα-helixtrans-68.7-34.9174.7-79.6164.3000112.3A594 Q595 K601 I602A594-L598 WeakPolarHBondContact O-CB 3.49Å; A594-L598 WeakPolarHBondContact O-CG 3.27Å; A594-L598 PolarHBondContact O-N 3.5Å; Q595-L598 PolarHBondContact O-N 3.26Å; L598-K601 CarbonylContact O-C 3.17Å; L598-K601 PolarHBondContact O-N 3.49Å; L598-I602 WeakPolarHBondContact O-CB 3.32Å; L598-I602 WeakPolarHBondContact O-CD1 3.38Å; L598-I602 WeakPolarHBondContact O-CG1 3.38Å; L598-I602 PolarHBondContact O-N 3.04Å
599K60.7Low62.4Low158 Ų158102.5 Ų102.569%0.68754%0.537SS*.Hα-helixtrans-62.5-41.3172.6-89-180175.2174.90112.8Q595 E596 K601 I602 S603Q595-K599 PolarHBondContact O-N 3Å; E596-K599 PolarHBondContact O-N 3.16Å; K599-K601 VanDerWaalsContact C-N 3.32Å; K599-K601 PolarHBondContact O-N 2.82Å; K599-I602 PolarHBondContact O-N 3.49Å; K599-S603 PolarHBondContact O-N 3.37Å; K599-S603 VanDerWaalsContact O-N 3.09Å; K599-S603 PolarHBondContact O-OG 3.47Å
600A61.8Low62.7Low70 Ų70103.5 Ų103.558%0.57954%0.539SS*.Hα-helixtrans-66.6-34.2174.700000112.4E596 G597 A604E596-A600 PolarHBondContact O-N 3.01Å; G597-A600 PolarHBondContact O-N 2.97Å; A600-A604 PolarHBondContact O-N 3.49Å
601K61.3Low63.2Low144 Ų144105.3 Ų105.363%0.62654%0.544SS*.Hα-helixtrans-73.9-35.3176.1-136.1165.4-173.61750112.6G597 L598 K599 A604 L605G597-K601 PolarHBondContact O-N 3.35Å; G597-K601 VanDerWaalsContact O-N 3.12Å; L598-K601 CarbonylContact O-C 3.17Å; L598-K601 PolarHBondContact O-N 3.49Å; K599-K601 VanDerWaalsContact C-N 3.32Å; K599-K601 PolarHBondContact O-N 2.82Å; K601-A604 PolarHBondContact O-N 2.95Å; K601-L605 VanDerWaalsContact O-CB 3.32Å; K601-L605 WeakPolarHBondContact O-CB 3.47Å; K601-L605 VanDerWaalsContact O-CG 3.27Å; K601-L605 WeakPolarHBondContact O-CG 3.44Å; K601-L605 PolarHBondContact O-N 2.99Å
602I62.8Low63.2Low86 Ų86105.5 Ų105.544%0.44155%0.545SS..Hα-helixtrans-64.2-45.4173-71.6162.5000110.1L598 K599 A604 L605 E606L598-I602 WeakPolarHBondContact O-CB 3.32Å; L598-I602 WeakPolarHBondContact O-CD1 3.38Å; L598-I602 WeakPolarHBondContact O-CG1 3.38Å; L598-I602 PolarHBondContact O-N 3.04Å; K599-I602 PolarHBondContact O-N 3.49Å; I602-A604 VanDerWaalsContact C-N 3.28Å; I602-A604 PolarHBondContact O-N 2.96Å; I602-L605 PolarHBondContact O-N 3.46Å; I602-E606 HydrophobicContact CG2-CG 4.34Å; I602-E606 WeakPolarHBondContact O-CB 3.49Å; I602-E606 VanDerWaalsContact O-CG 3.26Å; I602-E606 WeakPolarHBondContact O-CG 3.4Å; I602-E606 PolarHBondContact O-N 3.39Å
603S64.8Low63.1Low53 Ų53102.8 Ų102.837%0.37154%0.54SS..Hα-helixtrans-67.8-24176.2-61.10000114.2K599K599-S603 PolarHBondContact O-N 3.37Å; K599-S603 VanDerWaalsContact O-N 3.09Å; K599-S603 PolarHBondContact O-OG 3.47Å
604A65.4Low63.2Low43 Ų43103.4 Ų103.436%0.35554%0.54SS..Hα-helixtrans-78.1-43.5170.900000111.8A600 K601 I602 E606 R607 E608A600-A604 PolarHBondContact O-N 3.49Å; K601-A604 PolarHBondContact O-N 2.95Å; I602-A604 VanDerWaalsContact C-N 3.28Å; I602-A604 PolarHBondContact O-N 2.96Å; A604-E606 VanDerWaalsContact C-N 3.32Å; A604-E606 PolarHBondContact O-N 3.15Å; A604-R607 PolarHBondContact O-N 3.36Å; A604-R607 VanDerWaalsContact O-N 3.17Å; A604-E608 PolarHBondContact O-N 3.45Å
605L61.8Low63.6Low91 Ų91105.3 Ų105.348%0.47654%0.543SS..Hα-helixtrans-66.7-29.4175.6-74.9168.3000112.7K601 I602 E608 M609K601-L605 VanDerWaalsContact O-CB 3.32Å; K601-L605 WeakPolarHBondContact O-CB 3.47Å; K601-L605 VanDerWaalsContact O-CG 3.27Å; K601-L605 WeakPolarHBondContact O-CG 3.44Å; K601-L605 PolarHBondContact O-N 2.99Å; I602-L605 PolarHBondContact O-N 3.46Å; L605-E608 PolarHBondContact O-N 3.33Å; L605-M609 WeakPolarHBondContact O-CB 3.4Å; L605-M609 VanDerWaalsContact O-CG 3.23Å; L605-M609 WeakPolarHBondContact O-CG 3.48Å; L605-M609 PolarHBondContact O-N 3.25Å
606E61.6Low63.8Low120 Ų120104.4 Ų104.456%0.56154%0.538SS*.Hα-helixtrans-68.3-33.3172.1-78.6172.1166.300112.2I602 A604 K610I602-E606 HydrophobicContact CG2-CG 4.34Å; I602-E606 WeakPolarHBondContact O-CB 3.49Å; I602-E606 VanDerWaalsContact O-CG 3.26Å; I602-E606 WeakPolarHBondContact O-CG 3.4Å; I602-E606 PolarHBondContact O-N 3.39Å; A604-E606 VanDerWaalsContact C-N 3.32Å; A604-E606 PolarHBondContact O-N 3.15Å; E606-K610 WeakPolarHBondContact O-CB 3.43Å; E606-K610 PolarHBondContact O-N 2.88Å; E606-K610 VanDerWaalsContact O-N 3.11Å
607R66.6Low64.2Low178 Ų178106.6 Ų106.667%0.67254%0.541SS*.Hα-helixtrans-73.9-41.3172.7-67.7-174.7-153.5115.93.8111.6A604 K610 V611A604-R607 PolarHBondContact O-N 3.36Å; A604-R607 VanDerWaalsContact O-N 3.17Å; R607-K610 PolarHBondContact O-N 3.23Å; R607-V611 WeakPolarHBondContact O-CG2 3.25Å; R607-V611 PolarHBondContact O-N 2.81Å
608E62.5Low64.5Low122 Ų122110.8 Ų110.857%0.5755%0.549SS*.Hα-helixtrans-65.8-40.2174-76.2-176165.600112A604 L605 K610 V611 L612A604-E608 PolarHBondContact O-N 3.45Å; L605-E608 PolarHBondContact O-N 3.33Å; E608-K610 VanDerWaalsContact C-N 3.31Å; E608-K610 PolarHBondContact O-N 2.99Å; E608-V611 PolarHBondContact O-N 2.98Å; E608-L612 WeakPolarHBondContact O-CB 3.32Å; E608-L612 PolarHBondContact O-N 3.26Å
609M58.8Low64.8Low108 Ų108109.6 Ų109.653%0.53255%0.546SS..Hα-helixtrans-62.1-36.7173.1-82.8-99.46900111.8L605 L612 T613L605-M609 WeakPolarHBondContact O-CB 3.4Å; L605-M609 VanDerWaalsContact O-CG 3.23Å; L605-M609 WeakPolarHBondContact O-CG 3.48Å; L605-M609 PolarHBondContact O-N 3.25Å; M609-L612 HydrophobicContact CE-CB 4.2Å; M609-L612 PolarHBondContact O-N 3.19Å; M609-T613 VanDerWaalsContact O-CB 3.27Å; M609-T613 WeakPolarHBondContact O-CB 3.49Å; M609-T613 PolarHBondContact O-N 3.12Å; M609-T613 PolarHBondContact O-OG1 3.42Å
610K68.1Low64.9Low160 Ų160106.4 Ų106.470%0.69654%0.536SS*.Hα-helixtrans-66.8-37.6176.7-140.2172.1-174176.80112.2E606 R607 E608 N614E606-K610 WeakPolarHBondContact O-CB 3.43Å; E606-K610 PolarHBondContact O-N 2.88Å; E606-K610 VanDerWaalsContact O-N 3.11Å; R607-K610 PolarHBondContact O-N 3.23Å; E608-K610 VanDerWaalsContact C-N 3.31Å; E608-K610 PolarHBondContact O-N 2.99Å; K610-N614 PolarHBondContact O-N 3.47Å
611V71.3Confident65.2Low91 Ų91107.8 Ų107.855%0.55253%0.533SS*.Hα-helixtrans-71.8-42.5173.9175.80000111.2R607 E608 T613 N614 N615R607-V611 WeakPolarHBondContact O-CG2 3.25Å; R607-V611 PolarHBondContact O-N 2.81Å; E608-V611 PolarHBondContact O-N 2.98Å; V611-T613 VanDerWaalsContact C-N 3.35Å; V611-T613 PolarHBondContact O-N 2.9Å; V611-N614 PolarHBondContact O-N 3.44Å; V611-N615 PolarHBondContact O-N 2.97Å
612L61.3Low65.6Low103 Ų103106.1 Ų106.154%0.53953%0.531SS..Hα-helixtrans-63.9-36.1174.3-105.3142.9000112.4E608 M609 N615 H616E608-L612 WeakPolarHBondContact O-CB 3.32Å; E608-L612 PolarHBondContact O-N 3.26Å; M609-L612 HydrophobicContact CE-CB 4.2Å; M609-L612 PolarHBondContact O-N 3.19Å; L612-N615 PolarHBondContact O-N 2.98Å; L612-H616 WeakPolarHBondContact O-CB 3.47Å; L612-H616 PolarHBondContact O-N 3.35Å
613T64Low65.8Low80 Ų80107.5 Ų107.549%0.49153%0.534SS..Hα-helixtrans-70.6-35.3178.3-52.70000111.5M609 V611 R617M609-T613 VanDerWaalsContact O-CB 3.27Å; M609-T613 WeakPolarHBondContact O-CB 3.49Å; M609-T613 PolarHBondContact O-N 3.12Å; M609-T613 PolarHBondContact O-OG1 3.42Å; V611-T613 VanDerWaalsContact C-N 3.35Å; V611-T613 PolarHBondContact O-N 2.9Å; T613-R617 VanDerWaalsContact O-CB 3.31Å; T613-R617 WeakPolarHBondContact O-CB 3.41Å; T613-R617 PolarHBondContact O-N 2.94Å
614N68.3Low65.9Low106 Ų106110.3 Ų110.357%0.56754%0.541SS*.Hα-helixtrans-69-43.8172.6-85.1-4.9000112K610 V611 H616 R617 E618K610-N614 PolarHBondContact O-N 3.47Å; V611-N614 PolarHBondContact O-N 3.44Å; N614-H616 VanDerWaalsContact C-N 3.34Å; N614-H616 PolarHBondContact O-N 3.05Å; N614-R617 WeakPolarHBondContact O-CB 3.16Å; N614-R617 PolarHBondContact O-N 3.28Å; N614-E618 PolarHBondContact O-N 3.14Å; N614-E618 VanDerWaalsContact O-N 3.09Å
615N69.1Low66.1Low90 Ų90111.6 Ų111.648%0.48155%0.548SS..Hα-helixtrans-65.5-37174.5-71.3-2.8000111.9V611 L612 R617 E618 V619V611-N615 PolarHBondContact O-N 2.97Å; L612-N615 PolarHBondContact O-N 2.98Å; N615-R617 VanDerWaalsContact C-N 3.3Å; N615-R617 PolarHBondContact O-N 3.18Å; N615-E618 PolarHBondContact O-N 3.43Å; N615-V619 VanDerWaalsContact O-CG2 3.32Å; N615-V619 WeakPolarHBondContact O-CG2 3.39Å; N615-V619 PolarHBondContact O-N 3.09Å
616H63.7Low66.5Low116 Ų116111.7 Ų111.754%0.53755%0.546SS..Hα-helixtrans-69.1-30.1176-149.668.5000111.9L612 N614 L620L612-H616 WeakPolarHBondContact O-CB 3.47Å; L612-H616 PolarHBondContact O-N 3.35Å; N614-H616 VanDerWaalsContact C-N 3.34Å; N614-H616 PolarHBondContact O-N 3.05Å; H616-L620 VanDerWaalsContact O-CB 3.23Å; H616-L620 WeakPolarHBondContact O-CB 3.49Å; H616-L620 WeakPolarHBondContact O-CD1 3.39Å; H616-L620 VanDerWaalsContact O-CG 3.24Å; H616-L620 WeakPolarHBondContact O-CG 3.39Å; H616-L620 PolarHBondContact O-N 3.29Å
617R69.2Low66.6Low177 Ų177112.2 Ų112.267%0.66855%0.546SS*.Hα-helixtrans-69.9-38.4173.2-175.4174.7170.6125.7-1.2112.3T613 N614 N615 L621T613-R617 VanDerWaalsContact O-CB 3.31Å; T613-R617 WeakPolarHBondContact O-CB 3.41Å; T613-R617 PolarHBondContact O-N 2.94Å; N614-R617 WeakPolarHBondContact O-CB 3.16Å; N614-R617 PolarHBondContact O-N 3.28Å; N615-R617 VanDerWaalsContact C-N 3.3Å; N615-R617 PolarHBondContact O-N 3.18Å; R617-L621 WeakPolarHBondContact O-CG 3.47Å; R617-L621 PolarHBondContact O-N 3.37Å; R617-L621 VanDerWaalsContact O-N 3.14Å
618E70.2Confident66.8Low131 Ų131107.3 Ų107.361%0.61254%0.539SS*.Hα-helixtrans-67.3-44.8171.3-80.6-174.9155.400111.9N614 N615 L620 L621 D622N614-E618 PolarHBondContact O-N 3.14Å; N614-E618 VanDerWaalsContact O-N 3.09Å; N615-E618 PolarHBondContact O-N 3.43Å; E618-L620 VanDerWaalsContact C-N 3.3Å; E618-L620 PolarHBondContact O-N 2.86Å; E618-L621 PolarHBondContact O-N 3.38Å; E618-D622 PolarHBondContact O-N 3.45Å
619V68.3Low67.2Low75 Ų75104.1 Ų104.146%0.45553%0.53SS..Hα-helixtrans-64.3-34.1176.31730000112N615 K623N615-V619 VanDerWaalsContact O-CG2 3.32Å; N615-V619 WeakPolarHBondContact O-CG2 3.39Å; N615-V619 PolarHBondContact O-N 3.09Å; V619-K623 HydrophobicContact CG1-CG 4.24Å; V619-K623 VanDerWaalsContact O-CB 3.29Å; V619-K623 WeakPolarHBondContact O-CB 3.24Å; V619-K623 WeakPolarHBondContact O-CG 3.36Å; V619-K623 PolarHBondContact O-N 2.72Å
620L61.7Low67.5Low91 Ų91104 Ų10448%0.47653%0.531SS..Hα-helixtrans-67.6-38.2174.4-84.8164.2000112.4H616 E618 K623 E624H616-L620 VanDerWaalsContact O-CB 3.23Å; H616-L620 WeakPolarHBondContact O-CB 3.49Å; H616-L620 WeakPolarHBondContact O-CD1 3.39Å; H616-L620 VanDerWaalsContact O-CG 3.24Å; H616-L620 WeakPolarHBondContact O-CG 3.39Å; H616-L620 PolarHBondContact O-N 3.29Å; E618-L620 VanDerWaalsContact C-N 3.3Å; E618-L620 PolarHBondContact O-N 2.86Å; L620-K623 PolarHBondContact O-N 2.84Å; L620-E624 WeakPolarHBondContact O-CB 3.42Å; L620-E624 WeakPolarHBondContact O-CG 3.49Å; L620-E624 PolarHBondContact O-N 2.81Å
621L68.3Low67.4Low98 Ų98101 Ų10151%0.51352%0.522SS..Hα-helixtrans-66.8-41175.1-76.9163.7000111.6R617 E618 E624 S625R617-L621 WeakPolarHBondContact O-CG 3.47Å; R617-L621 PolarHBondContact O-N 3.37Å; R617-L621 VanDerWaalsContact O-N 3.14Å; E618-L621 PolarHBondContact O-N 3.38Å; L621-E624 PolarHBondContact O-N 3.28Å; L621-S625 PolarHBondContact O-N 3.2Å
622D70.8Confident67.4Low109 Ų109102.6 Ų102.658%0.58352%0.523SS*.Hα-helixtrans-64.7-41.1173.6-80.2-12.7000111.6E618 S625 E626E618-D622 PolarHBondContact O-N 3.45Å; D622-S625 WeakPolarHBondContact O-CB 3.38Å; D622-S625 PolarHBondContact O-N 3.41Å; D622-S625 PolarHBondContact O-OG 2.66Å; D622-E626 PolarHBondContact O-N 2.97Å
623K66.9Low67.9Low115 Ų115104 Ų10450%0.553%0.525SS..Hα-helixtrans-69.5-31176.2-71.3-72.9166.4-157.40113.2V619 L620 E626 K627V619-K623 HydrophobicContact CG1-CG 4.24Å; V619-K623 VanDerWaalsContact O-CB 3.29Å; V619-K623 WeakPolarHBondContact O-CB 3.24Å; V619-K623 WeakPolarHBondContact O-CG 3.36Å; V619-K623 PolarHBondContact O-N 2.72Å; L620-K623 PolarHBondContact O-N 2.84Å; K623-E626 WeakPolarHBondContact CD-OE2 3.32Å; K623-E626 IonicContact NZ-OE2 3.66Å; K623-E626 PolarHBondContact NZ-OE2 2.83Å; K623-E626 PolarHBondContact O-N 2.88Å; K623-K627 WeakPolarHBondContact O-CB 3.4Å; K623-K627 PolarHBondContact O-N 3.23Å
624E66.5Low68Low112 Ų112104.5 Ų104.552%0.52353%0.525SS..Hα-helixtrans-69.2-34.3170.8-83.5-177.7155.600111.9L620 L621 S628L620-E624 WeakPolarHBondContact O-CB 3.42Å; L620-E624 WeakPolarHBondContact O-CG 3.49Å; L620-E624 PolarHBondContact O-N 2.81Å; L621-E624 PolarHBondContact O-N 3.28Å; E624-S628 WeakPolarHBondContact O-CB 3.46Å; E624-S628 PolarHBondContact O-N 2.93Å; E624-S628 PolarHBondContact O-OG 2.86Å
625S69.8Low68.2Low71 Ų71107.8 Ų107.850%0.49753%0.529SS..Hα-helixtrans-67.1-42.9171.193.20000111.9L621 D622 S628 S629L621-S625 PolarHBondContact O-N 3.2Å; D622-S625 WeakPolarHBondContact O-CB 3.38Å; D622-S625 PolarHBondContact O-N 3.41Å; D622-S625 PolarHBondContact O-OG 2.66Å; S625-S628 PolarHBondContact O-N 2.96Å; S625-S629 PolarHBondContact O-N 3.07Å
626E69.9Low68.4Low93 Ų93109.1 Ų109.144%0.43554%0.536SS..Hα-helixtrans-65.7-43.4175.8-82-172.615300111.7D622 K623 S628 S629 L630D622-E626 PolarHBondContact O-N 2.97Å; K623-E626 WeakPolarHBondContact CD-OE2 3.32Å; K623-E626 IonicContact NZ-OE2 3.66Å; K623-E626 PolarHBondContact NZ-OE2 2.83Å; K623-E626 PolarHBondContact O-N 2.88Å; E626-S628 VanDerWaalsContact C-N 3.31Å; E626-S628 PolarHBondContact O-N 3.36Å; E626-S629 PolarHBondContact O-N 2.84Å; E626-S629 VanDerWaalsContact O-N 3.14Å; E626-S629 PolarHBondContact O-OG 3.37Å; E626-L630 WeakPolarHBondContact O-CB 3.39Å; E626-L630 WeakPolarHBondContact O-CG 3.21Å; E626-L630 PolarHBondContact O-N 2.84Å
627K64.3Low68.7Low131 Ų131109.2 Ų109.257%0.5753%0.534SS*.Hα-helixtrans-59.1-41.3175179.7-177.6173.8-174.90111.3K623 L630 L631K623-K627 WeakPolarHBondContact O-CB 3.4Å; K623-K627 PolarHBondContact O-N 3.23Å; K627-L630 PolarHBondContact O-N 3.01Å; K627-L631 HydrophobicContact CG-CD1 4.02Å; K627-L631 HydrophobicContact CG-CG 4.48Å; K627-L631 WeakPolarHBondContact O-CB 3.48Å; K627-L631 VanDerWaalsContact O-CG 3.27Å; K627-L631 WeakPolarHBondContact O-CG 3.37Å; K627-L631 PolarHBondContact O-N 3.32Å
628S70.1Confident68.7Low74 Ų74105.8 Ų105.852%0.51753%0.526SS..Hα-helixtrans-64.2-41.6175.1-57.60000111.3E624 S625 E626 L630 L631 E632E624-S628 WeakPolarHBondContact O-CB 3.46Å; E624-S628 PolarHBondContact O-N 2.93Å; E624-S628 PolarHBondContact O-OG 2.86Å; S625-S628 PolarHBondContact O-N 2.96Å; E626-S628 VanDerWaalsContact C-N 3.31Å; E626-S628 PolarHBondContact O-N 3.36Å; S628-L630 PolarHBondContact O-N 3.47Å; S628-L631 PolarHBondContact O-N 3.48Å; S628-E632 PolarHBondContact O-N 2.9Å; S628-E632 VanDerWaalsContact O-N 3.14Å
629S71.3Confident68.8Low55 Ų55104.2 Ų104.239%0.38553%0.525SS..Hα-helixtrans-67.1-33.8175.491.60000113.5S625 E626 K633S625-S629 PolarHBondContact O-N 3.07Å; E626-S629 PolarHBondContact O-N 2.84Å; E626-S629 VanDerWaalsContact O-N 3.14Å; E626-S629 PolarHBondContact O-OG 3.37Å; S629-K633 WeakPolarHBondContact O-CG 3.42Å; S629-K633 PolarHBondContact O-N 3.38Å
630L65Low69Low107 Ų107105.6 Ų105.656%0.5653%0.526SS*.Hα-helixtrans-77.4-33.3179.1-75.8170.4000111.7E626 K627 S628 E632 K633 L634E626-L630 WeakPolarHBondContact O-CB 3.39Å; E626-L630 WeakPolarHBondContact O-CG 3.21Å; E626-L630 PolarHBondContact O-N 2.84Å; K627-L630 PolarHBondContact O-N 3.01Å; S628-L630 PolarHBondContact O-N 3.47Å; L630-E632 VanDerWaalsContact C-N 3.34Å; L630-K633 PolarHBondContact O-N 3.22Å; L630-L634 VanDerWaalsContact O-CB 3.31Å; L630-L634 WeakPolarHBondContact O-CB 3.45Å; L630-L634 PolarHBondContact O-N 2.95Å
631L65.8Low69.1Low96 Ų96105 Ų10550%0.50352%0.523SS..Hα-helixtrans-66-36.5171.3-75.9168.5000111.6K627 S628 L634 R635K627-L631 HydrophobicContact CG-CD1 4.02Å; K627-L631 HydrophobicContact CG-CG 4.48Å; K627-L631 WeakPolarHBondContact O-CB 3.48Å; K627-L631 VanDerWaalsContact O-CG 3.27Å; K627-L631 WeakPolarHBondContact O-CG 3.37Å; K627-L631 PolarHBondContact O-N 3.32Å; S628-L631 PolarHBondContact O-N 3.48Å; L631-L634 PolarHBondContact O-N 3.1Å; L631-R635 WeakPolarHBondContact O-CB 3.31Å; L631-R635 PolarHBondContact O-N 2.96Å
632E71.4Confident69Low124 Ų124105.7 Ų105.758%0.57952%0.524SS*.Hα-helixtrans-62.2-43.8171.8-156.982-155.100111.3S628 L630 R635 L636S628-E632 PolarHBondContact O-N 2.9Å; S628-E632 VanDerWaalsContact O-N 3.14Å; L630-E632 VanDerWaalsContact C-N 3.34Å; E632-R635 PolarHBondContact O-N 3.36Å; E632-L636 WeakPolarHBondContact O-CG 3.47Å; E632-L636 PolarHBondContact O-N 2.63Å; E632-L636 VanDerWaalsContact O-N 3.16Å
633K72.1Confident69.1Low132 Ų132109 Ų10957%0.57453%0.528SS*.Hα-helixtrans-69.5-36.3176.7-73.4176-178.8172.30113S629 L630 L636 K637S629-K633 WeakPolarHBondContact O-CG 3.42Å; S629-K633 PolarHBondContact O-N 3.38Å; L630-K633 PolarHBondContact O-N 3.22Å; K633-L636 PolarHBondContact O-N 3.38Å; K633-K637 PolarHBondContact O-N 2.97Å
634L65.3Low69.1Low92 Ų92109.2 Ų109.248%0.48253%0.532SS..Hα-helixtrans-65.8-42.2175.8-165.979.4000110.2L630 L631 L636 K637 E638L630-L634 VanDerWaalsContact O-CB 3.31Å; L630-L634 WeakPolarHBondContact O-CB 3.45Å; L630-L634 PolarHBondContact O-N 2.95Å; L631-L634 PolarHBondContact O-N 3.1Å; L634-L636 VanDerWaalsContact C-N 3.32Å; L634-L636 PolarHBondContact O-N 2.95Å; L634-K637 CarbonylContact O-C 3.55Å; L634-K637 PolarHBondContact O-N 3.31Å; L634-K637 VanDerWaalsContact O-N 3.12Å; L634-E638 WeakPolarHBondContact O-CB 3.42Å; L634-E638 WeakPolarHBondContact O-CG 3.41Å; L634-E638 PolarHBondContact O-N 2.88Å
635R73.4Confident69Low175 Ų175110.1 Ų110.166%0.6653%0.534SS*.Hα-helixtrans-60.8-40.5175.4-165.4-178.9-176.6179.22.1112.1L631 E632 V639L631-R635 WeakPolarHBondContact O-CB 3.31Å; L631-R635 PolarHBondContact O-N 2.96Å; E632-R635 PolarHBondContact O-N 3.36Å; R635-V639 WeakPolarHBondContact O-CG2 3.48Å; R635-V639 PolarHBondContact O-N 3.46Å; R635-V639 VanDerWaalsContact O-N 3.15Å
636L72.3Confident69Low118 Ų118112.6 Ų112.662%0.61854%0.538SS*.Hα-helixtrans-66-38.8174.2-71.5168.6000112.3E632 K633 L634 V639 E640E632-L636 WeakPolarHBondContact O-CG 3.47Å; E632-L636 PolarHBondContact O-N 2.63Å; E632-L636 VanDerWaalsContact O-N 3.16Å; K633-L636 PolarHBondContact O-N 3.38Å; L634-L636 VanDerWaalsContact C-N 3.32Å; L634-L636 PolarHBondContact O-N 2.95Å; L636-V639 PolarHBondContact O-N 3.29Å; L636-E640 PolarHBondContact O-N 3.28Å; L636-E640 VanDerWaalsContact O-N 3.16Å
637K70.8Confident69Low118 Ų118112 Ų11251%0.51354%0.538SS..Hα-helixtrans-72.5-34.1176.8-77.8-74.2169.7-161.60113.2K633 L634 V639 E640 I641K633-K637 PolarHBondContact O-N 2.97Å; L634-K637 CarbonylContact O-C 3.55Å; L634-K637 PolarHBondContact O-N 3.31Å; L634-K637 VanDerWaalsContact O-N 3.12Å; K637-V639 VanDerWaalsContact C-N 3.32Å; K637-E640 WeakPolarHBondContact CD-OE2 3.48Å; K637-E640 WeakPolarHBondContact CE-OE2 3.47Å; K637-E640 IonicContact NZ-OE2 2.9Å; K637-E640 PolarHBondContact NZ-OE2 3.29Å; K637-E640 PolarHBondContact O-N 2.9Å; K637-I641 WeakPolarHBondContact O-CB 3.43Å; K637-I641 VanDerWaalsContact O-CG1 3.25Å; K637-I641 WeakPolarHBondContact O-CG1 3.47Å; K637-I641 PolarHBondContact O-N 3.41Å
638E67.7Low68.9Low104 Ų104111.9 Ų111.949%0.48654%0.539SS..Hα-helixtrans-64.4-38.3172.7-77.8175.6162.900111.1L634 I641 Q642L634-E638 WeakPolarHBondContact O-CB 3.42Å; L634-E638 WeakPolarHBondContact O-CG 3.41Å; L634-E638 PolarHBondContact O-N 2.88Å; E638-I641 PolarHBondContact O-N 2.9Å; E638-Q642 WeakPolarHBondContact O-CB 3.38Å; E638-Q642 PolarHBondContact O-N 3.2Å
639V73.6Confident68.6Low99 Ų99111.2 Ų111.260%0.654%0.539SS*.Hα-helixtrans-64.4-40172.4172.60000111.7R635 L636 K637 R643R635-V639 WeakPolarHBondContact O-CG2 3.48Å; R635-V639 PolarHBondContact O-N 3.46Å; R635-V639 VanDerWaalsContact O-N 3.15Å; L636-V639 PolarHBondContact O-N 3.29Å; K637-V639 VanDerWaalsContact C-N 3.32Å; V639-R643 PolarHBondContact O-N 2.91Å
640E71.3Confident68.3Low103 Ų103114.7 Ų114.748%0.48155%0.549SS..Hα-helixtrans-65.3-41.1172.6-89.4-176.8161.300112.8L636 K637 R643 M644L636-E640 PolarHBondContact O-N 3.28Å; L636-E640 VanDerWaalsContact O-N 3.16Å; K637-E640 WeakPolarHBondContact CD-OE2 3.48Å; K637-E640 WeakPolarHBondContact CE-OE2 3.47Å; K637-E640 IonicContact NZ-OE2 2.9Å; K637-E640 PolarHBondContact NZ-OE2 3.29Å; K637-E640 PolarHBondContact O-N 2.9Å; E640-R643 WeakPolarHBondContact O-CB 3.32Å; E640-R643 PolarHBondContact O-N 3.41Å; E640-M644 WeakPolarHBondContact O-CG 3.47Å; E640-M644 PolarHBondContact O-N 3.46Å
641I64.8Low68.3Low78 Ų78118.2 Ų118.240%0.455%0.554SS.*Hα-helixtrans-68.6-37.2179.1-70.5166.3000110.9K637 E638 R643 M644 K645K637-I641 WeakPolarHBondContact O-CB 3.43Å; K637-I641 VanDerWaalsContact O-CG1 3.25Å; K637-I641 WeakPolarHBondContact O-CG1 3.47Å; K637-I641 PolarHBondContact O-N 3.41Å; E638-I641 PolarHBondContact O-N 2.9Å; I641-R643 VanDerWaalsContact C-N 3.3Å; I641-R643 PolarHBondContact O-N 3.29Å; I641-M644 HydrophobicContact CG1-CE 4.39Å; I641-M644 PolarHBondContact O-N 3.39Å; I641-K645 HydrophobicContact CG2-CD 4.37Å; I641-K645 HydrophobicContact CG2-CG 4.5Å; I641-K645 WeakPolarHBondContact O-CB 3.27Å; I641-K645 WeakPolarHBondContact O-CG 3.39Å; I641-K645 PolarHBondContact O-N 2.86Å
642Q66.6Low68Low114 Ų114116.2 Ų116.253%0.53355%0.552SS.*Hα-helixtrans-61.9-42174.4-139.577.4-10.300110.8E638 K645 E646E638-Q642 WeakPolarHBondContact O-CB 3.38Å; E638-Q642 PolarHBondContact O-N 3.2Å; Q642-K645 PolarHBondContact O-N 3.27Å; Q642-E646 WeakPolarHBondContact O-CG 3.43Å; Q642-E646 PolarHBondContact O-N 3.11Å
643R71.9Confident67.5Low178 Ų178113.9 Ų113.967%0.67255%0.549SS*.Hα-helixtrans-64.3-42175.7-167.2179.7179.7-176.41.1112.3V639 E640 I641 E646 D647V639-R643 PolarHBondContact O-N 2.91Å; E640-R643 WeakPolarHBondContact O-CB 3.32Å; E640-R643 PolarHBondContact O-N 3.41Å; I641-R643 VanDerWaalsContact C-N 3.3Å; I641-R643 PolarHBondContact O-N 3.29Å; R643-E646 PolarHBondContact O-N 2.95Å; R643-D647 PolarHBondContact O-N 3.18Å; R643-D647 VanDerWaalsContact O-N 3.07Å
644M67.4Low67.3Low120 Ų120116.8 Ų116.859%0.59156%0.558SS**Hα-helixtrans-67.2-35.5175.1-70.1-159.9-57.400112.8E640 I641 D647 E648E640-M644 WeakPolarHBondContact O-CG 3.47Å; E640-M644 PolarHBondContact O-N 3.46Å; I641-M644 HydrophobicContact CG1-CE 4.39Å; I641-M644 PolarHBondContact O-N 3.39Å; M644-D647 PolarHBondContact O-N 2.85Å; M644-E648 WeakPolarHBondContact O-CB 3.5Å; M644-E648 PolarHBondContact O-N 3.48Å
645K64.9Low67Low130 Ų130117.6 Ų117.657%0.56556%0.562SS**Hα-helixtrans-67.8-34.5174.8-80.2-177.3177178.90112.5I641 Q642 E648 A649I641-K645 HydrophobicContact CG2-CD 4.37Å; I641-K645 HydrophobicContact CG2-CG 4.5Å; I641-K645 WeakPolarHBondContact O-CB 3.27Å; I641-K645 WeakPolarHBondContact O-CG 3.39Å; I641-K645 PolarHBondContact O-N 2.86Å; Q642-K645 PolarHBondContact O-N 3.27Å; K645-E648 PolarHBondContact O-N 3.43Å; K645-A649 VanDerWaalsContact O-CB 3.23Å; K645-A649 WeakPolarHBondContact O-CB 3.42Å; K645-A649 PolarHBondContact O-N 2.84Å
646E68.3Low66.3Low124 Ų124115.6 Ų115.658%0.57956%0.56SS**Hα-helixtrans-65.8-41.8171.5-75.5175.1169.600111.2Q642 R643 A649 Q650Q642-E646 WeakPolarHBondContact O-CG 3.43Å; Q642-E646 PolarHBondContact O-N 3.11Å; R643-E646 PolarHBondContact O-N 2.95Å; E646-A649 PolarHBondContact O-N 3.32Å; E646-Q650 WeakPolarHBondContact O-CG 3.5Å; E646-Q650 PolarHBondContact O-N 3.21Å
647D70.1Confident65.7Low79 Ų79113.6 Ų113.642%0.42256%0.556SS.*Hα-helixtrans-65.7-37.5175-72.5-17.4000112.4R643 M644 R651R643-D647 PolarHBondContact O-N 3.18Å; R643-D647 VanDerWaalsContact O-N 3.07Å; M644-D647 PolarHBondContact O-N 2.85Å; D647-R651 WeakPolarHBondContact O-CG 3.47Å; D647-R651 PolarHBondContact O-N 3.24Å; D647-R651 VanDerWaalsContact O-N 3.11Å
648E63.4Low65.2Low129 Ų129110.9 Ų110.960%0.60356%0.556SS**Hα-helixtrans-72.4-37.1174.9-106.2177.317000112.9M644 K645 Q650 R651 A652M644-E648 WeakPolarHBondContact O-CB 3.5Å; M644-E648 PolarHBondContact O-N 3.48Å; K645-E648 PolarHBondContact O-N 3.43Å; E648-Q650 VanDerWaalsContact C-N 3.31Å; E648-Q650 PolarHBondContact O-N 3.23Å; E648-R651 PolarHBondContact O-N 3.46Å; E648-A652 WeakPolarHBondContact O-CB 3.44Å; E648-A652 PolarHBondContact O-N 3.25Å
649A62.7Low64.8Low61 Ų61110.7 Ų110.750%0.50456%0.557SS.*Hα-helixtrans-64.2-37.7173.600000111.4K645 E646 A652 S653K645-A649 VanDerWaalsContact O-CB 3.23Å; K645-A649 WeakPolarHBondContact O-CB 3.42Å; K645-A649 PolarHBondContact O-N 2.84Å; E646-A649 PolarHBondContact O-N 3.32Å; A649-A652 PolarHBondContact O-N 3.41Å; A649-S653 WeakPolarHBondContact O-CB 3.42Å; A649-S653 PolarHBondContact O-N 3.19Å
650Q65.7Low64.1Low127 Ų127111.1 Ų111.159%0.59356%0.556SS**Hα-helixtrans-64.6-41.5172.2-73.5-179.79.800111.9E646 E648 S653 Y654E646-Q650 WeakPolarHBondContact O-CG 3.5Å; E646-Q650 PolarHBondContact O-N 3.21Å; E648-Q650 VanDerWaalsContact C-N 3.31Å; E648-Q650 PolarHBondContact O-N 3.23Å; Q650-S653 PolarHBondContact O-N 3.41Å; Q650-Y654 WeakPolarHBondContact O-CD2 3.3Å; Q650-Y654 PolarHBondContact O-N 3.17Å; Q650-Y654 VanDerWaalsContact O-N 3.15Å
651R65.8Low63.4Low181 Ų181110.7 Ų110.768%0.68356%0.564SS**Hα-helixtrans-66.2-40.3174.8-74.8177.1-178.81742.6113.1D647 E648 S653 Y654 L655D647-R651 WeakPolarHBondContact O-CG 3.47Å; D647-R651 PolarHBondContact O-N 3.24Å; D647-R651 VanDerWaalsContact O-N 3.11Å; E648-R651 PolarHBondContact O-N 3.46Å; R651-S653 VanDerWaalsContact C-N 3.33Å; R651-Y654 PolarHBondContact O-N 2.95Å; R651-L655 PolarHBondContact O-N 2.92Å
652A58.4Low63Low55 Ų55116.2 Ų116.246%0.45558%0.581SS.*Hα-helixtrans-65.5-36.817700000111.8E648 A649 L655 Q656E648-A652 WeakPolarHBondContact O-CB 3.44Å; E648-A652 PolarHBondContact O-N 3.25Å; A649-A652 PolarHBondContact O-N 3.41Å; A652-L655 PolarHBondContact O-N 3.29Å; A652-Q656 WeakPolarHBondContact O-CB 3.29Å; A652-Q656 PolarHBondContact O-N 3.34Å
653S61.9Low62.6Low75 Ų75116.3 Ų116.352%0.52459%0.589SS.*Hα-helixtrans-62.9-42.1172.5-177.40000112.1A649 Q650 R651 Q656 S657A649-S653 WeakPolarHBondContact O-CB 3.42Å; A649-S653 PolarHBondContact O-N 3.19Å; Q650-S653 PolarHBondContact O-N 3.41Å; R651-S653 VanDerWaalsContact C-N 3.33Å; S653-Q656 PolarHBondContact O-N 3.34Å; S653-S657 PolarHBondContact O-N 3.03Å
654Y66.4Low61.7Low192 Ų192116.3 Ų116.375%0.75360%0.597SS**Hα-helixtrans-63-41174-97.1-81.2000112.8Q650 R651 S657 A658Q650-Y654 WeakPolarHBondContact O-CD2 3.3Å; Q650-Y654 PolarHBondContact O-N 3.17Å; Q650-Y654 VanDerWaalsContact O-N 3.15Å; R651-Y654 PolarHBondContact O-N 2.95Å; Y654-S657 PolarHBondContact O-N 3.39Å; Y654-A658 PolarHBondContact O-N 3.39Å; Y654-A658 VanDerWaalsContact O-N 3.13Å
655L60.1Low60.6Low110 Ų110113.1 Ų113.158%0.57659%0.594SS**Hα-helixtrans-69.2-38.5177.2-99.3152.5000112.8R651 A652 S657 A658 I659R651-L655 PolarHBondContact O-N 2.92Å; A652-L655 PolarHBondContact O-N 3.29Å; L655-S657 VanDerWaalsContact C-N 3.34Å; L655-A658 PolarHBondContact O-N 2.84Å; L655-I659 WeakPolarHBondContact O-CG1 3.39Å; L655-I659 PolarHBondContact O-N 3.11Å
656Q58.7Low59.3Low132 Ų132112.9 Ų112.962%0.61761%0.609SS**Hα-helixtrans-66.4-37.3176-166.5175.613.600111.6A652 S653 A658 I659 L660A652-Q656 WeakPolarHBondContact O-CB 3.29Å; A652-Q656 PolarHBondContact O-N 3.34Å; S653-Q656 PolarHBondContact O-N 3.34Å; Q656-A658 VanDerWaalsContact C-N 3.33Å; Q656-A658 PolarHBondContact O-N 2.94Å; Q656-I659 PolarHBondContact O-N 2.95Å; Q656-L660 HydrophobicContact CG-CD1 4.43Å; Q656-L660 PolarHBondContact O-N 2.91Å; Q656-L660 VanDerWaalsContact O-N 3.09Å
657S60.1Low58.3Low76 Ų76112 Ų11253%0.53161%0.614SS.*Hα-helixtrans-62.2-38.3170.8176.20000112.3S653 Y654 L655 S661S653-S657 PolarHBondContact O-N 3.03Å; Y654-S657 PolarHBondContact O-N 3.39Å; L655-S657 VanDerWaalsContact C-N 3.34Å; S657-S661 PolarHBondContact O-OG 2.94Å
658A58.7Low57Low61 Ų61116.7 Ų116.750%0.50464%0.639SS.*Hα-helixtrans-72.1-35.9178.500000113Y654 L655 Q656 S661 Y662Y654-A658 PolarHBondContact O-N 3.39Å; Y654-A658 VanDerWaalsContact O-N 3.13Å; L655-A658 PolarHBondContact O-N 2.84Å; Q656-A658 VanDerWaalsContact C-N 3.33Å; Q656-A658 PolarHBondContact O-N 2.94Å; A658-S661 PolarHBondContact O-N 2.96Å; A658-Y662 PolarHBondContact O-N 3.5Å
659I59.6Low55.8Low100 Ų100113.9 Ų113.951%0.51364%0.644SS.*Hα-helixtrans-74-36.7179.8-67.9166.7000111.7L655 Q656 S661 Y662 V663L655-I659 WeakPolarHBondContact O-CG1 3.39Å; L655-I659 PolarHBondContact O-N 3.11Å; Q656-I659 PolarHBondContact O-N 2.95Å; I659-S661 PolarHBondContact O-N 3.05Å; I659-Y662 PolarHBondContact O-N 3.28Å; I659-V663 HydrophobicContact CG2-CG2 4.37Å; I659-V663 PolarHBondContact O-N 2.96Å; I659-V663 VanDerWaalsContact O-N 3.16Å
660L59Low54.6Low108 Ų108121.8 Ų121.857%0.56566%0.661SS**Hα-helixtrans-63.8-29.3174.6-93.4156.7000112.8Q656 Y662Q656-L660 HydrophobicContact CG-CD1 4.43Å; Q656-L660 PolarHBondContact O-N 2.91Å; Q656-L660 VanDerWaalsContact O-N 3.09Å; L660-Y662 VanDerWaalsContact C-N 3.34Å
661S56Low53.4Low94 Ų94126.2 Ų126.266%0.65767%0.673SS**Hα-helixtrans-72.9-23.6171.2-640000113.6S657 A658 I659S657-S661 PolarHBondContact O-OG 2.94Å; A658-S661 PolarHBondContact O-N 2.96Å; I659-S661 PolarHBondContact O-N 3.05Å
662Y56.8Low52.1Low195 Ų195122.3 Ų122.377%0.76567%0.674SS**Hα-helixtrans-85.6-32.2-178.9-158.8-96.4000112.8A658 I659 L660 G665A658-Y662 PolarHBondContact O-N 3.5Å; I659-Y662 PolarHBondContact O-N 3.28Å; L660-Y662 VanDerWaalsContact C-N 3.34Å; Y662-G665 PolarHBondContact O-N 3.21Å
663V58.8Low51.2Low116 Ų116124.7 Ų124.770%0.70369%0.687SS**Hα-helixtrans-81.8-10.7-176.7177.20000113.5I659I659-V663 HydrophobicContact CG2-CG2 4.37Å; I659-V663 PolarHBondContact O-N 2.96Å; I659-V663 VanDerWaalsContact O-N 3.16Å
664Q52.2Low51Low178 Ų178125.9 Ų125.983%0.83269%0.693SS**THydrogen-bonded Turntrans-946.6171.3-70.1-169.4-10.800114.1
665G45.8Very low49.7Very low52 Ų52124 Ų12454%0.53670%0.696SS.*SBendtrans-119.296.3177.800000113.1Y662Y662-G665 PolarHBondContact O-N 3.21Å
666S37Very low48.9Very low125 Ų125132.1 Ų132.187%0.87473%0.727SS**  trans99.3146.4157.9-79.70000120.7
667P47.7Very low48.4Very low106 Ų106132.2 Ų132.269%0.68873%0.732SS**  trans-120.5-177.3-136.436.8-19.2000113.9
668L41.8Very low47.8Very low178 Ų178135.1 Ų135.193%0.93274%0.743SS**  trans100.2125.7174.2-55.5155.4000113
669G37.7Very low47.2Very low69 Ų69139.2 Ų139.271%0.71176%0.756SS**  cis146.7114.97.400000109.8
670R38Very low46.4Very low228 Ų228141.5 Ų141.586%0.8677%0.77SS**  trans56.5127.6152.5-59.6-177.9-179.4-175.9-0119
671Y40.9Very low45.6Very low220 Ų220143.6 Ų143.686%0.86378%0.783SS**  -170.3122.297.6-101-81.6000111.1
672S38.8Very low44.9Very low98 Ų98146.9 Ų146.969%0.68579%0.792SS**  trans-51.7157.315653.40000111.7
673S38.7Very low44.1Very low106 Ų106143.5 Ų143.574%0.74179%0.794SS**  cis175.5-154.618.342.30000107.5
674P58.3Low43Very low99 Ų99145.6 Ų145.664%0.64380%0.8SS**  -136.1-166.6-100.642.7-21.7000115.7
675N40Very low42.2Very low153 Ų153142.9 Ų142.982%0.81880%0.798SS**  trans85131.3163.5-59-16.3000116.3
676K41.8Very low41.9Very low281 Ų281151.2 Ų151.2100%1.22282%0.822SS**  cis-134.2026-80.7177.7172.8175.60112.6

Retrieved 676 of 676 residues in 1147.6 ms (Link to these results)

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