A0A077Z7K0_TRITR Loading...

Vacuolar ATPase assembly protein VMA22

AlphaFold DB , UniProt , Accession A0A077Z7K0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M57.6Low69.5Low211 Ų211120.2 Ų120.2100%1.03963%0.626SS**  024.60-88174.4170.400110.2
2D62.9Low70.8Confident108 Ų108113.5 Ų113.558%0.57860%0.602SS**  trans-103-17.4-159.8-48-72000112.8T4 T5 Q6D2-T4 PolarHBondContact O-N 2.99Å; D2-T5 PolarHBondContact O-N 3.49Å; D2-Q6 WeakPolarHBondContact O-CB 3.25Å; D2-Q6 VanDerWaalsContact O-CG 3.25Å; D2-Q6 WeakPolarHBondContact O-CG 3.41Å; D2-Q6 PolarHBondContact O-N 3.47Å
3S64Low72.1Confident98 Ų98112 Ų11269%0.68559%0.594SS**Hα-helixtrans-65.3-39.2-176-47.30000112.9C7S3-C7 PolarHBondContact O-N 3.23Å
4T67.6Low73.2Confident91 Ų91106.7 Ų106.756%0.55857%0.574SS**Hα-helixtrans-73.4-41-179.5-30.40000111.4D2 C7 Y8D2-T4 PolarHBondContact O-N 2.99Å; T4-C7 WeakPolarHBondContact O-CB 3.48Å; T4-C7 PolarHBondContact O-N 3.44Å; T4-Y8 HydrophobicContact CG2-CD2 4.28Å; T4-Y8 HydrophobicContact CG2-CE2 3.74Å; T4-Y8 WeakPolarHBondContact O-CD2 3.33Å; T4-Y8 PolarHBondContact O-N 3.16Å; T4-Y8 VanDerWaalsContact O-N 3.16Å
5T66.6Low74.1Confident82 Ų82102.6 Ų102.650%0.50355%0.549SS..Hα-helixtrans-66.1-38.2176.9-49.40000111.9D2 C7 Y8 N9D2-T5 PolarHBondContact O-N 3.49Å; T5-C7 VanDerWaalsContact C-N 3.31Å; T5-C7 PolarHBondContact O-N 3.45Å; T5-Y8 PolarHBondContact O-N 3.15Å; T5-N9 VanDerWaalsContact O-CG 3.3Å; T5-N9 PolarHBondContact O-N 3.05Å; T5-N9 VanDerWaalsContact O-N 3.15Å; T5-N9 PolarHBondContact O-ND2 3.37Å
6Q66.3Low75Confident132 Ų132101.1 Ų101.162%0.61754%0.54SS*.Hα-helixtrans-63.1-35.8173.7-75.6171.512.600112.4D2 H10D2-Q6 WeakPolarHBondContact O-CB 3.25Å; D2-Q6 VanDerWaalsContact O-CG 3.25Å; D2-Q6 WeakPolarHBondContact O-CG 3.41Å; D2-Q6 PolarHBondContact O-N 3.47Å; Q6-H10 PolarHBondContact O-N 3.22Å; Q6-H10 VanDerWaalsContact O-N 3.12Å
7C66.1Low76Confident81 Ų81101.8 Ų101.855%0.54754%0.543SS..Hα-helixtrans-67.6-44.7176.7-169.90000112.5S3 T4 T5 N9 H10 E11S3-C7 PolarHBondContact O-N 3.23Å; T4-C7 WeakPolarHBondContact O-CB 3.48Å; T4-C7 PolarHBondContact O-N 3.44Å; T5-C7 VanDerWaalsContact C-N 3.31Å; T5-C7 PolarHBondContact O-N 3.45Å; C7-N9 VanDerWaalsContact C-N 3.32Å; C7-N9 PolarHBondContact O-N 3.24Å; C7-H10 PolarHBondContact O-N 3.12Å; C7-E11 PolarHBondContact O-N 3.44Å
8Y69.7Low76.8Confident156 Ų156100.6 Ų100.661%0.61254%0.537SS*.Hα-helixtrans-62.5-39.7177.8-76.6-65.6000112.5T4 T5 H10 E11 A12T4-Y8 HydrophobicContact CG2-CD2 4.28Å; T4-Y8 HydrophobicContact CG2-CE2 3.74Å; T4-Y8 WeakPolarHBondContact O-CD2 3.33Å; T4-Y8 PolarHBondContact O-N 3.16Å; T4-Y8 VanDerWaalsContact O-N 3.16Å; T5-Y8 PolarHBondContact O-N 3.15Å; Y8-H10 VanDerWaalsContact C-N 3.35Å; Y8-E11 PolarHBondContact O-N 2.98Å; Y8-A12 WeakPolarHBondContact O-CB 3.11Å; Y8-A12 PolarHBondContact O-N 3.34Å
9N78.1Confident77.5Confident91 Ų9198.5 Ų98.549%0.48752%0.521SS..Hα-helixtrans-64.8-40.7175.9-67.5-17.9000111.2T5 C7 E11 A12 D13T5-N9 VanDerWaalsContact O-CG 3.3Å; T5-N9 PolarHBondContact O-N 3.05Å; T5-N9 VanDerWaalsContact O-N 3.15Å; T5-N9 PolarHBondContact O-ND2 3.37Å; C7-N9 VanDerWaalsContact C-N 3.32Å; C7-N9 PolarHBondContact O-N 3.24Å; N9-E11 PolarHBondContact O-N 3.46Å; N9-A12 PolarHBondContact O-N 3.04Å; N9-D13 WeakPolarHBondContact O-CB 3.47Å; N9-D13 PolarHBondContact O-N 3.39Å
10H82.5Confident78.3Confident140 Ų14098.2 Ų98.265%0.64852%0.519SS*.Hα-helixtrans-64.6-37.5177.3-172.8-70.7000112.7Q6 C7 Y8 A14Q6-H10 PolarHBondContact O-N 3.22Å; Q6-H10 VanDerWaalsContact O-N 3.12Å; C7-H10 PolarHBondContact O-N 3.12Å; Y8-H10 VanDerWaalsContact C-N 3.35Å; H10-A14 WeakPolarHBondContact O-CB 3.32Å; H10-A14 PolarHBondContact O-N 2.97Å
11E82.8Confident79Confident132 Ų13299.4 Ų99.462%0.61752%0.522SS*.Hα-helixtrans-67.8-42.4175.7-173.5176.1-171.700111.7C7 Y8 N9 A14 F15C7-E11 PolarHBondContact O-N 3.44Å; Y8-E11 PolarHBondContact O-N 2.98Å; N9-E11 PolarHBondContact O-N 3.46Å; E11-A14 PolarHBondContact O-N 3.38Å; E11-F15 WeakPolarHBondContact O-CB 3.5Å; E11-F15 PolarHBondContact O-N 2.83Å
12A85Confident80.6Confident40 Ų4091.7 Ų91.733%0.33148%0.484SS..Hα-helixtrans-64.2-43.6174.900000111.9Y8 N9 F15 I16Y8-A12 WeakPolarHBondContact O-CB 3.11Å; Y8-A12 PolarHBondContact O-N 3.34Å; N9-A12 PolarHBondContact O-N 3.04Å; A12-F15 PolarHBondContact O-N 3.45Å; A12-I16 WeakPolarHBondContact O-CD1 3.49Å; A12-I16 VanDerWaalsContact O-CG1 3.22Å; A12-I16 WeakPolarHBondContact O-CG1 3.3Å; A12-I16 PolarHBondContact O-N 2.9Å
13D88.3Confident82.1Confident94 Ų9488.9 Ų88.950%0.50347%0.469SS..Hα-helixtrans-62.5-44.2177.4-72.6-16.7000111.1N9 F15 I16 L17N9-D13 WeakPolarHBondContact O-CB 3.47Å; N9-D13 PolarHBondContact O-N 3.39Å; D13-F15 PolarHBondContact O-N 3.02Å; D13-I16 PolarHBondContact O-N 3.29Å; D13-L17 VanDerWaalsContact O-CG 3.3Å; D13-L17 WeakPolarHBondContact O-CG 3.22Å; D13-L17 PolarHBondContact O-N 3.49Å
14A87.6Confident83.5Confident38 Ų3888 Ų8831%0.31446%0.456SS..Hα-helixtrans-60.3-44.5175.500000111.8H10 E11 I16 L17 D18H10-A14 WeakPolarHBondContact O-CB 3.32Å; H10-A14 PolarHBondContact O-N 2.97Å; E11-A14 PolarHBondContact O-N 3.38Å; A14-I16 PolarHBondContact O-N 3.24Å; A14-L17 PolarHBondContact O-N 3.28Å; A14-D18 PolarHBondContact O-N 2.93Å
15F87Confident84.8Confident45 Ų4586.4 Ų86.420%0.19744%0.444CS..Hα-helixtrans-62.8-41.8176174.9-90.2000112.7E11 A12 D13 L17 D18 Y19 L136 K139 F140E11-F15 WeakPolarHBondContact O-CB 3.5Å; E11-F15 PolarHBondContact O-N 2.83Å; A12-F15 PolarHBondContact O-N 3.45Å; D13-F15 PolarHBondContact O-N 3.02Å; F15-L17 VanDerWaalsContact C-N 3.32Å; F15-D18 PolarHBondContact O-N 2.61Å; F15-Y19 WeakPolarHBondContact O-CB 3.48Å; F15-Y19 PolarHBondContact O-N 3.39Å; F15-L136 HydrophobicContact CD2-CD2 4.23Å; F15-L136 HydrophobicContact CE2-CB 3.91Å; F15-L136 HydrophobicContact CE2-CD2 3.63Å; F15-L136 HydrophobicContact CE2-CG 4.27Å; F15-L136 HydrophobicContact CZ-CB 3.87Å; F15-L136 HydrophobicContact CZ-CD2 4.44Å; F15-L136 VanDerWaalsContact CZ-O 3.31Å; F15-L136 WeakPolarHBondContact CZ-O 3.48Å; F15-K139 HydrophobicContact CE2-CD 4.41Å; F15-F140 HydrophobicContact CD1-CD2 4.37Å; F15-F140 AromaticContact CE1-CD2 3.88Å; F15-F140 HydrophobicContact CE1-CD2 3.88Å
16I88.6Confident86.1Confident78 Ų7884.9 Ų84.940%0.443%0.43SS..Hα-helixtrans-62.7-42.3176.8-70.3163.6000110.1A12 D13 A14 Y19 L20A12-I16 WeakPolarHBondContact O-CD1 3.49Å; A12-I16 VanDerWaalsContact O-CG1 3.22Å; A12-I16 WeakPolarHBondContact O-CG1 3.3Å; A12-I16 PolarHBondContact O-N 2.9Å; D13-I16 PolarHBondContact O-N 3.29Å; A14-I16 PolarHBondContact O-N 3.24Å; I16-Y19 PolarHBondContact O-N 2.94Å; I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.92Å
17L91.2Very high87.5Confident113 Ų11381.5 Ų81.559%0.59242%0.418SS*.Hα-helixtrans-61.4-47.8176-70.9172.5000111.5D13 A14 F15 Y19 L20 E21D13-L17 VanDerWaalsContact O-CG 3.3Å; D13-L17 WeakPolarHBondContact O-CG 3.22Å; D13-L17 PolarHBondContact O-N 3.49Å; A14-L17 PolarHBondContact O-N 3.28Å; F15-L17 VanDerWaalsContact C-N 3.32Å; L17-Y19 VanDerWaalsContact C-N 3.31Å; L17-Y19 PolarHBondContact O-N 2.89Å; L17-L20 PolarHBondContact O-N 3.47Å; L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 PolarHBondContact O-N 3.31Å
18D89.9Confident88.9Confident81 Ų8184 Ų8443%0.43342%0.416SS..Hα-helixtrans-58.8-42.8176.5-73-10.2000111.7A14 F15 E21 M22A14-D18 PolarHBondContact O-N 2.93Å; F15-D18 PolarHBondContact O-N 2.61Å; D18-E21 PolarHBondContact O-N 3.26Å; D18-M22 VanDerWaalsContact O-CG 3.32Å; D18-M22 WeakPolarHBondContact O-CG 3.43Å; D18-M22 PolarHBondContact O-N 3.4Å
19Y91.1Very high90.1Very high60 Ų6080.2 Ų80.224%0.23540%0.403CS..Hα-helixtrans-64.7-43.9177.4176.7-103000112.3F15 I16 L17 M22 L23 I133 L136 M137F15-Y19 WeakPolarHBondContact O-CB 3.48Å; F15-Y19 PolarHBondContact O-N 3.39Å; I16-Y19 PolarHBondContact O-N 2.94Å; L17-Y19 VanDerWaalsContact C-N 3.31Å; L17-Y19 PolarHBondContact O-N 2.89Å; Y19-M22 PolarHBondContact O-N 3.27Å; Y19-L23 HydrophobicContact CD1-CD1 3.8Å; Y19-L23 HydrophobicContact CD1-CG 4.35Å; Y19-L23 HydrophobicContact CE1-CD1 3.18Å; Y19-L23 HydrophobicContact CE1-CG 3.93Å; Y19-L23 HydrophobicContact CE2-CD1 4.35Å; Y19-L23 HydrophobicContact CE2-CG 4.28Å; Y19-L23 VanDerWaalsContact CZ-CD1 3.49Å; Y19-L23 WeakPolarHBondContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CG 3.42Å; Y19-L23 PolarHBondContact O-N 2.7Å; Y19-I133 HydrophobicContact CE2-CG2 3.88Å; Y19-L136 HydrophobicContact CD2-CB 4.49Å; Y19-L136 HydrophobicContact CD2-CD1 4.36Å; Y19-M137 HydrophobicContact CD2-SD 4.47Å; Y19-M137 HydrophobicContact CE2-CG 3.89Å; Y19-M137 HydrophobicContact CE2-SD 3.63Å
20L92.6Very high90.9Very high93 Ų9380.5 Ų80.549%0.48740%0.4SS..Hα-helixtrans-65.3-39177.5-72.7175.2000111.8I16 L17 L23 D24I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.92Å; L17-L20 PolarHBondContact O-N 3.47Å; L20-L23 PolarHBondContact O-N 3.48Å; L20-D24 WeakPolarHBondContact O-CB 3.37Å; L20-D24 PolarHBondContact O-N 2.99Å
21E93.2Very high91.6Very high123 Ų12380.4 Ų80.458%0.57540%0.397SS*.Hα-helixtrans-63.3-46.2174.7-173.8172.9-167.700111.3L17 D18 L23 D24 D25L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 PolarHBondContact O-N 3.31Å; D18-E21 PolarHBondContact O-N 3.26Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.43Å; E21-D24 PolarHBondContact O-N 3.46Å; E21-D25 PolarHBondContact O-N 2.93Å
22M91.3Very high92.1Very high49 Ų4976.6 Ų76.624%0.24138%0.38CS..Hα-helixtrans-63.5-37.6176.1-70.1-171.8-149.700112.8D18 Y19 Y26 K132 I133 L136D18-M22 VanDerWaalsContact O-CG 3.32Å; D18-M22 WeakPolarHBondContact O-CG 3.43Å; D18-M22 PolarHBondContact O-N 3.4Å; Y19-M22 PolarHBondContact O-N 3.27Å; M22-Y26 VanDerWaalsContact O-CB 3.31Å; M22-Y26 WeakPolarHBondContact O-CB 3.48Å; M22-Y26 PolarHBondContact O-N 3Å; M22-K132 HydrophobicContact SD-CB 3.99Å; M22-I133 HydrophobicContact CB-CG1 4.11Å; M22-L136 HydrophobicContact CE-CD1 3.58Å; M22-L136 HydrophobicContact CE-CG 4.4Å; M22-L136 HydrophobicContact SD-CD1 3.43Å; M22-L136 WeakPolarHBondContact SD-CD1 3.47Å; M22-L136 HydrophobicContact SD-CG 4.31Å
23L93.7Very high92.6Very high50 Ų5075.9 Ų75.926%0.26237%0.37SS..Hα-helixtrans-65.7-42.5174.5-82.9-178.2000112.2Y19 L20 E21 Y26 V27 I133Y19-L23 HydrophobicContact CD1-CD1 3.8Å; Y19-L23 HydrophobicContact CD1-CG 4.35Å; Y19-L23 HydrophobicContact CE1-CD1 3.18Å; Y19-L23 HydrophobicContact CE1-CG 3.93Å; Y19-L23 HydrophobicContact CE2-CD1 4.35Å; Y19-L23 HydrophobicContact CE2-CG 4.28Å; Y19-L23 VanDerWaalsContact CZ-CD1 3.49Å; Y19-L23 WeakPolarHBondContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CG 3.42Å; Y19-L23 PolarHBondContact O-N 2.7Å; L20-L23 PolarHBondContact O-N 3.48Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.43Å; L23-Y26 WeakPolarHBondContact O-CB 3.32Å; L23-Y26 PolarHBondContact O-N 2.9Å; L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.31Å; L23-V27 PolarHBondContact O-N 3.3Å; L23-I133 HydrophobicContact CD2-CD1 4.12Å
24D95.3Very high92.9Very high78 Ų7875.1 Ų75.142%0.41736%0.363SS..Hα-helixtrans-63.6-45178.1-171.733.6000110.7L20 E21 Y26 V27 R28L20-D24 WeakPolarHBondContact O-CB 3.37Å; L20-D24 PolarHBondContact O-N 2.99Å; E21-D24 PolarHBondContact O-N 3.46Å; D24-Y26 VanDerWaalsContact C-N 3.33Å; D24-Y26 PolarHBondContact O-N 2.91Å; D24-V27 PolarHBondContact O-N 3.39Å; D24-R28 VanDerWaalsContact CG-NE 3.33Å; D24-R28 WeakPolarHBondContact O-CB 3.29Å; D24-R28 VanDerWaalsContact O-CG 3.29Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 2.93Å; D24-R28 IonicContact OD1-NE 3.48Å; D24-R28 PolarHBondContact OD1-NE 2.86Å; D24-R28 IonicContact OD2-CZ 3.13Å; D24-R28 IonicContact OD2-NE 2.92Å; D24-R28 PolarHBondContact OD2-NE 3.43Å; D24-R28 IonicContact OD2-NH2 2.61Å; D24-R28 PolarHBondContact OD2-NH2 3.27Å
25D94.4Very high93.2Very high58 Ų5879.6 Ų79.631%0.3137%0.372SS..Hα-helixtrans-58.7-43.3173-84.9-5.4000112.3E21 R28 K29 L129E21-D25 PolarHBondContact O-N 2.93Å; D25-R28 PolarHBondContact O-N 2.95Å; D25-R28 IonicContact OD1-CZ 3.18Å; D25-R28 IonicContact OD1-NH1 2.7Å; D25-R28 PolarHBondContact OD1-NH1 3.4Å; D25-R28 IonicContact OD1-NH2 3.27Å; D25-R28 PolarHBondContact OD1-NH2 2.88Å; D25-K29 WeakPolarHBondContact O-CB 2.93Å; D25-K29 VanDerWaalsContact O-CG 3.25Å; D25-K29 WeakPolarHBondContact O-CG 3.31Å; D25-K29 PolarHBondContact O-N 3.36Å; D25-L129 HydrophobicContact CB-CD1 4.38Å
26Y93.8Very high93.4Very high51 Ų5182 Ų8220%0.238%0.38CS..Hα-helixtrans-61.2-46.2176.5172.2-100.9000112.2M22 L23 D24 K29 K30 I126 L129 Q130 I133M22-Y26 VanDerWaalsContact O-CB 3.31Å; M22-Y26 WeakPolarHBondContact O-CB 3.48Å; M22-Y26 PolarHBondContact O-N 3Å; L23-Y26 WeakPolarHBondContact O-CB 3.32Å; L23-Y26 PolarHBondContact O-N 2.9Å; D24-Y26 VanDerWaalsContact C-N 3.33Å; D24-Y26 PolarHBondContact O-N 2.91Å; Y26-K29 PolarHBondContact O-N 3.28Å; Y26-K30 WeakPolarHBondContact O-CB 3.33Å; Y26-K30 PolarHBondContact O-N 2.95Å; Y26-I126 HydrophobicContact CD2-CG2 4.09Å; Y26-I126 HydrophobicContact CE2-CG2 3.54Å; Y26-L129 HydrophobicContact CD2-CB 4.3Å; Y26-Q130 HydrophobicContact CD2-CG 4.06Å; Y26-Q130 HydrophobicContact CE2-CG 3.37Å; Y26-Q130 PolarHBondContact OH-NE2 2.96Å; Y26-I133 HydrophobicContact CD2-CD1 4.33Å; Y26-I133 HydrophobicContact CG-CD1 4Å
27V95.6Very high93.6Very high61 Ų6180.8 Ų80.837%0.3737%0.374SS..Hα-helixtrans-64.4-45.9178171.50000110.5L23 D24 K29 K30 F31L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.31Å; L23-V27 PolarHBondContact O-N 3.3Å; D24-V27 PolarHBondContact O-N 3.39Å; V27-K29 PolarHBondContact O-N 3.03Å; V27-K30 PolarHBondContact O-N 3.24Å; V27-F31 HydrophobicContact CG1-CD2 3.64Å; V27-F31 HydrophobicContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact O-CD2 3.26Å; V27-F31 WeakPolarHBondContact O-CD2 3.25Å; V27-F31 PolarHBondContact O-N 3.35Å
28R96.3Very high93.7Very high133 Ų13381.8 Ų81.850%0.50237%0.374SS..Hα-helixtrans-57.5-46.5176.7-74.2-170.1-112.1131.1-6.7111.7D24 D25 F31 E32D24-R28 VanDerWaalsContact CG-NE 3.33Å; D24-R28 WeakPolarHBondContact O-CB 3.29Å; D24-R28 VanDerWaalsContact O-CG 3.29Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 2.93Å; D24-R28 IonicContact OD1-NE 3.48Å; D24-R28 PolarHBondContact OD1-NE 2.86Å; D24-R28 IonicContact OD2-CZ 3.13Å; D24-R28 IonicContact OD2-NE 2.92Å; D24-R28 PolarHBondContact OD2-NE 3.43Å; D24-R28 IonicContact OD2-NH2 2.61Å; D24-R28 PolarHBondContact OD2-NH2 3.27Å; D25-R28 PolarHBondContact O-N 2.95Å; D25-R28 IonicContact OD1-CZ 3.18Å; D25-R28 IonicContact OD1-NH1 2.7Å; D25-R28 PolarHBondContact OD1-NH1 3.4Å; D25-R28 IonicContact OD1-NH2 3.27Å; D25-R28 PolarHBondContact OD1-NH2 2.88Å; R28-F31 PolarHBondContact O-N 2.89Å; R28-E32 PolarHBondContact O-N 3.27Å; R28-E32 VanDerWaalsContact O-N 3.11Å
29K94.2Very high93.7Very high77 Ų7782.3 Ų82.334%0.33537%0.373SS..Hα-helixtrans-65.6-38.9177.6-69.9-73.7179.6170.60112.5D25 Y26 V27 E32 L33 L122 E125 I126 L129D25-K29 WeakPolarHBondContact O-CB 2.93Å; D25-K29 VanDerWaalsContact O-CG 3.25Å; D25-K29 WeakPolarHBondContact O-CG 3.31Å; D25-K29 PolarHBondContact O-N 3.36Å; Y26-K29 PolarHBondContact O-N 3.28Å; V27-K29 PolarHBondContact O-N 3.03Å; K29-E32 PolarHBondContact O-N 2.95Å; K29-L33 PolarHBondContact O-N 2.94Å; K29-L122 HydrophobicContact CD-CD2 3.78Å; K29-E125 WeakPolarHBondContact CE-OE2 3.48Å; K29-E125 IonicContact NZ-OE2 2.94Å; K29-E125 PolarHBondContact NZ-OE2 3.19Å; K29-I126 HydrophobicContact CB-CD1 4.29Å; K29-I126 HydrophobicContact CB-CG1 3.77Å; K29-L129 HydrophobicContact CG-CD1 4.15Å
30K95.3Very high93.7Very high97 Ų9779.7 Ų79.742%0.42236%0.364SS..Hα-helixtrans-62.7-43.9175.9-175179.4175.3-174.50112.1Y26 V27 E32 L33 E34Y26-K30 WeakPolarHBondContact O-CB 3.33Å; Y26-K30 PolarHBondContact O-N 2.95Å; V27-K30 PolarHBondContact O-N 3.24Å; K30-E32 VanDerWaalsContact C-N 3.35Å; K30-E32 PolarHBondContact O-N 2.67Å; K30-L33 WeakPolarHBondContact O-CB 3.43Å; K30-L33 PolarHBondContact O-N 3.15Å; K30-E34 WeakPolarHBondContact O-CG 3.28Å; K30-E34 PolarHBondContact O-N 3.29Å
31F95.9Very high93.7Very high137 Ų13782.7 Ų82.760%0.60137%0.369SS*.Hα-helixtrans-62-41.9175-85.6-68.9000112.4V27 R28 E34 R35V27-F31 HydrophobicContact CG1-CD2 3.64Å; V27-F31 HydrophobicContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact O-CD2 3.26Å; V27-F31 WeakPolarHBondContact O-CD2 3.25Å; V27-F31 PolarHBondContact O-N 3.35Å; R28-F31 PolarHBondContact O-N 2.89Å; F31-E34 PolarHBondContact O-N 3.26Å; F31-R35 WeakPolarHBondContact O-CB 3.48Å; F31-R35 PolarHBondContact O-N 3.31Å
32E94.4Very high93.6Very high53 Ų5383.4 Ų83.425%0.24837%0.367CS..Hα-helixtrans-64.3-41.4176.3-179.960.1-167.200111.5R28 K29 K30 R35 R36 L122R28-E32 PolarHBondContact O-N 3.27Å; R28-E32 VanDerWaalsContact O-N 3.11Å; K29-E32 PolarHBondContact O-N 2.95Å; K30-E32 VanDerWaalsContact C-N 3.35Å; K30-E32 PolarHBondContact O-N 2.67Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.44Å; E32-R35 IonicContact OE1-CZ 2.69Å; E32-R35 IonicContact OE1-NE 3.62Å; E32-R35 IonicContact OE1-NH2 2.77Å; E32-R35 PolarHBondContact OE1-NH2 2.96Å; E32-R35 IonicContact OE2-CZ 2.67Å; E32-R35 VanDerWaalsContact OE2-CZ 3.29Å; E32-R35 IonicContact OE2-NE 3.29Å; E32-R35 PolarHBondContact OE2-NE 3.19Å; E32-R35 IonicContact OE2-NH2 2.95Å; E32-R35 PolarHBondContact OE2-NH2 3.38Å; E32-R36 VanDerWaalsContact O-CG 3.28Å; E32-R36 WeakPolarHBondContact O-CG 3.42Å; E32-R36 PolarHBondContact O-N 3.38Å; E32-R36 IonicContact OE1-CZ 2.8Å; E32-R36 VanDerWaalsContact OE1-CZ 3.3Å; E32-R36 IonicContact OE1-NE 3.3Å; E32-R36 PolarHBondContact OE1-NE 3.32Å; E32-R36 IonicContact OE1-NH2 3.8Å; E32-R36 PolarHBondContact OE1-NH2 2.93Å; E32-L122 HydrophobicContact CB-CD1 4.43Å; E32-L122 HydrophobicContact CG-CD1 3.75Å; E32-L122 HydrophobicContact CG-CD2 4.27Å
33L95.2Very high93.6Very high24 Ų2481.7 Ų81.713%0.12636%0.359CS..Hα-helixtrans-58.5-49173.8174.163.4000111.6K29 K30 R35 R36 L37 A119 L122 V123 I126K29-L33 PolarHBondContact O-N 2.94Å; K30-L33 WeakPolarHBondContact O-CB 3.43Å; K30-L33 PolarHBondContact O-N 3.15Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 2.89Å; L33-R36 PolarHBondContact O-N 3.04Å; L33-L37 HydrophobicContact CD1-CD1 3.98Å; L33-L37 HydrophobicContact CD1-CG 4.03Å; L33-L37 HydrophobicContact CG-CD1 3.93Å; L33-L37 HydrophobicContact CG-CG 4.39Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 2.94Å; L33-A119 HydrophobicContact CD1-CB 4.08Å; L33-A119 WeakPolarHBondContact CD1-O 2.93Å; L33-L122 HydrophobicContact CB-CB 4.32Å; L33-L122 HydrophobicContact CB-CD1 4.5Å; L33-L122 HydrophobicContact CD1-CB 4.28Å; L33-V123 HydrophobicContact CD1-CG2 3.78Å; L33-V123 HydrophobicContact CD2-CG2 3.69Å; L33-V123 HydrophobicContact CG-CG2 4.41Å; L33-I126 HydrophobicContact CB-CD1 3.92Å; L33-I126 HydrophobicContact CD2-CD1 3.64Å; L33-I126 HydrophobicContact CG-CD1 4.4Å
34E94.5Very high93.3Very high78 Ų7881.9 Ų81.936%0.36436%0.36SS..Hα-helixtrans-59.7-40.4178.5-74.6-176.7-171.200112K30 F31 L37 K38K30-E34 WeakPolarHBondContact O-CG 3.28Å; K30-E34 PolarHBondContact O-N 3.29Å; F31-E34 PolarHBondContact O-N 3.26Å; E34-L37 PolarHBondContact O-N 3.11Å; E34-K38 VanDerWaalsContact O-CG 3.3Å; E34-K38 WeakPolarHBondContact O-CG 3.46Å; E34-K38 PolarHBondContact O-N 3.29Å
35R93.2Very high93Very high132 Ų13280.2 Ų80.250%0.49836%0.356SS..Hα-helixtrans-61.7-45176.1-169.4-17971.793.8-4.6111.6F31 E32 L33 K38 E39F31-R35 WeakPolarHBondContact O-CB 3.48Å; F31-R35 PolarHBondContact O-N 3.31Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.44Å; E32-R35 IonicContact OE1-CZ 2.69Å; E32-R35 IonicContact OE1-NE 3.62Å; E32-R35 IonicContact OE1-NH2 2.77Å; E32-R35 PolarHBondContact OE1-NH2 2.96Å; E32-R35 IonicContact OE2-CZ 2.67Å; E32-R35 VanDerWaalsContact OE2-CZ 3.29Å; E32-R35 IonicContact OE2-NE 3.29Å; E32-R35 PolarHBondContact OE2-NE 3.19Å; E32-R35 IonicContact OE2-NH2 2.95Å; E32-R35 PolarHBondContact OE2-NH2 3.38Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 2.89Å; R35-K38 PolarHBondContact O-N 3.2Å; R35-E39 PolarHBondContact O-N 3.45Å
36R91.7Very high92.8Very high95 Ų9582.6 Ų82.636%0.35836%0.361SS..Hα-helixtrans-66.2-40.3177.7-65-67.1176.2165.44.7112.4E32 L33 E39 C40 A119 L122E32-R36 VanDerWaalsContact O-CG 3.28Å; E32-R36 WeakPolarHBondContact O-CG 3.42Å; E32-R36 PolarHBondContact O-N 3.38Å; E32-R36 IonicContact OE1-CZ 2.8Å; E32-R36 VanDerWaalsContact OE1-CZ 3.3Å; E32-R36 IonicContact OE1-NE 3.3Å; E32-R36 PolarHBondContact OE1-NE 3.32Å; E32-R36 IonicContact OE1-NH2 3.8Å; E32-R36 PolarHBondContact OE1-NH2 2.93Å; L33-R36 PolarHBondContact O-N 3.04Å; R36-E39 PolarHBondContact O-N 3.4Å; R36-C40 WeakPolarHBondContact O-CB 3.45Å; R36-C40 PolarHBondContact O-N 2.83Å; R36-A119 HydrophobicContact CB-CB 4.26Å; R36-L122 HydrophobicContact CG-CD1 4.07Å
37L93.2Very high92.3Very high53 Ų5380.3 Ų80.328%0.27735%0.352SS..Hα-helixtrans-64.8-40.9176.8-74.2174.4000111.9L33 E34 E39 C40 W41L33-L37 HydrophobicContact CD1-CD1 3.98Å; L33-L37 HydrophobicContact CD1-CG 4.03Å; L33-L37 HydrophobicContact CG-CD1 3.93Å; L33-L37 HydrophobicContact CG-CG 4.39Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 2.94Å; E34-L37 PolarHBondContact O-N 3.11Å; L37-E39 PolarHBondContact O-N 2.92Å; L37-C40 PolarHBondContact O-N 2.96Å; L37-W41 HydrophobicContact CB-CH2 4.37Å; L37-W41 HydrophobicContact CB-CZ2 4.27Å; L37-W41 WeakPolarHBondContact O-CB 3.49Å; L37-W41 PolarHBondContact O-N 2.84Å
38K92.7Very high91.7Very high134 Ų13485.6 Ų85.658%0.58337%0.366SS*.Hα-helixtrans-59.2-46.8174.7-74.6171.1-174.8172.30111.9E34 R35 W41 Y42E34-K38 VanDerWaalsContact O-CG 3.3Å; E34-K38 WeakPolarHBondContact O-CG 3.46Å; E34-K38 PolarHBondContact O-N 3.29Å; R35-K38 PolarHBondContact O-N 3.2Å; K38-W41 PolarHBondContact O-N 3.41Å; K38-Y42 WeakPolarHBondContact O-CB 3.31Å; K38-Y42 PolarHBondContact O-N 3.44Å
39E90.3Very high91.1Very high92 Ų9284.9 Ų84.943%0.4338%0.376SS..Hα-helixtrans-62.4-46176.5-179.556.1-147.100111.4R35 R36 L37 W41 Y42 Q43R35-E39 PolarHBondContact O-N 3.45Å; R36-E39 PolarHBondContact O-N 3.4Å; L37-E39 PolarHBondContact O-N 2.92Å; E39-W41 PolarHBondContact O-N 3.23Å; E39-Y42 PolarHBondContact O-N 2.69Å; E39-Q43 WeakPolarHBondContact O-CG 3.22Å; E39-Q43 PolarHBondContact O-N 3.1Å; E39-Q43 WeakPolarHBondContact OE1-CG 3.29Å; E39-Q43 PolarHBondContact OE1-NE2 3.11Å
40C91.5Very high90.6Very high5 Ų585.3 Ų85.33%0.03439%0.388CS..Hα-helixtrans-58.6-48.8176.7177.10000111.9R36 L37 Y42 Q43 L44 A115 V116R36-C40 WeakPolarHBondContact O-CB 3.45Å; R36-C40 PolarHBondContact O-N 2.83Å; L37-C40 PolarHBondContact O-N 2.96Å; C40-Y42 VanDerWaalsContact C-N 3.33Å; C40-Y42 PolarHBondContact O-N 3.28Å; C40-Q43 PolarHBondContact O-N 2.8Å; C40-L44 WeakPolarHBondContact O-CG 3.39Å; C40-L44 PolarHBondContact O-N 3.42Å; C40-A115 HydrophobicContact CB-CB 4.5Å; C40-V116 WeakPolarHBondContact SG-CG2 3.39Å
41W91.4Very high89.8Confident156 Ų15682.1 Ų82.159%0.59138%0.375SS*.Hα-helixtrans-64-37.5178.9-67.7-21000112.7L37 K38 E39 L44 A45L37-W41 HydrophobicContact CB-CH2 4.37Å; L37-W41 HydrophobicContact CB-CZ2 4.27Å; L37-W41 WeakPolarHBondContact O-CB 3.49Å; L37-W41 PolarHBondContact O-N 2.84Å; K38-W41 PolarHBondContact O-N 3.41Å; E39-W41 PolarHBondContact O-N 3.23Å; W41-L44 PolarHBondContact O-N 2.98Å; W41-A45 WeakPolarHBondContact O-CB 3.33Å; W41-A45 PolarHBondContact O-N 3.15Å
42Y92.6Very high89Confident138 Ų13877.7 Ų77.754%0.54137%0.368SS..Hα-helixtrans-60-47.8172.7175.3-102.2000111.3K38 E39 C40 L44 A45 R46K38-Y42 WeakPolarHBondContact O-CB 3.31Å; K38-Y42 PolarHBondContact O-N 3.44Å; E39-Y42 PolarHBondContact O-N 2.69Å; C40-Y42 VanDerWaalsContact C-N 3.33Å; C40-Y42 PolarHBondContact O-N 3.28Å; Y42-L44 PolarHBondContact O-N 3.22Å; Y42-A45 PolarHBondContact O-N 2.76Å; Y42-R46 WeakPolarHBondContact O-CB 3.37Å; Y42-R46 PolarHBondContact O-N 3.15Å
43Q90.4Very high87.7Confident14 Ų1479.1 Ų79.17%0.06538%0.384CS..Hα-helixtrans-66-37.1177.9-65-61.7-15.700112.7E39 C40 R46 A47 T111 A112E39-Q43 WeakPolarHBondContact O-CG 3.22Å; E39-Q43 PolarHBondContact O-N 3.1Å; E39-Q43 WeakPolarHBondContact OE1-CG 3.29Å; E39-Q43 PolarHBondContact OE1-NE2 3.11Å; C40-Q43 PolarHBondContact O-N 2.8Å; Q43-R46 PolarHBondContact O-N 3.49Å; Q43-A47 WeakPolarHBondContact O-CB 3.46Å; Q43-A47 PolarHBondContact O-N 3.33Å; Q43-T111 HydrophobicContact CG-CG2 4.11Å; Q43-A112 HydrophobicContact CB-CB 3.85Å
44L88Confident86.1Confident54 Ų5484.7 Ų84.728%0.28342%0.419SS..Hα-helixtrans-64.5-41.5173.3-72.9175000112C40 W41 Y42 A47 R48 L109 A112C40-L44 WeakPolarHBondContact O-CG 3.39Å; C40-L44 PolarHBondContact O-N 3.42Å; W41-L44 PolarHBondContact O-N 2.98Å; Y42-L44 PolarHBondContact O-N 3.22Å; L44-A47 PolarHBondContact O-N 2.95Å; L44-R48 WeakPolarHBondContact O-CG 3.26Å; L44-R48 PolarHBondContact O-N 3Å; L44-L109 HydrophobicContact CD2-CD1 3.83Å; L44-A112 HydrophobicContact CD2-CB 3.65Å; L44-A112 HydrophobicContact CG-CB 3.78Å
45A88.6Confident84.5Confident42 Ų4282.3 Ų82.335%0.34741%0.411SS..Hα-helixtrans-63.3-44.6174.500000110.8W41 Y42 A47 R48 V49W41-A45 WeakPolarHBondContact O-CB 3.33Å; W41-A45 PolarHBondContact O-N 3.15Å; Y42-A45 PolarHBondContact O-N 2.76Å; A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 2.91Å; A45-R48 WeakPolarHBondContact O-CB 3.4Å; A45-R48 PolarHBondContact O-N 3.43Å; A45-V49 PolarHBondContact O-N 2.95Å
46R89.1Confident83.1Confident109 Ų10983.3 Ų83.341%0.41142%0.419SS..Hα-helixtrans-60.4-43175.5-159.2177.596.3-174.32.2111.8Y42 Q43 R48 V49 C50Y42-R46 WeakPolarHBondContact O-CB 3.37Å; Y42-R46 PolarHBondContact O-N 3.15Å; Q43-R46 PolarHBondContact O-N 3.49Å; R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 2.77Å; R46-V49 PolarHBondContact O-N 2.94Å; R46-C50 PolarHBondContact O-N 2.7Å; R46-C50 PolarHBondContact O-SG 2.86Å
47A84.6Confident81.7Confident2 Ų280.9 Ų80.92%0.01741%0.414CS..Hα-helixtrans-59.1-43.2174.600000112.2Q43 L44 A45 V49 C50 L51 S108 L109Q43-A47 WeakPolarHBondContact O-CB 3.46Å; Q43-A47 PolarHBondContact O-N 3.33Å; L44-A47 PolarHBondContact O-N 2.95Å; A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 2.91Å; A47-V49 PolarHBondContact O-N 3.29Å; A47-C50 PolarHBondContact O-N 3.41Å; A47-L51 WeakPolarHBondContact O-CB 3.38Å; A47-L51 VanDerWaalsContact O-CG 3.26Å; A47-L51 WeakPolarHBondContact O-CG 3.14Å; A47-L51 PolarHBondContact O-N 2.94Å; A47-S108 VanDerWaalsContact CA-OG 3.23Å; A47-S108 WeakPolarHBondContact CA-OG 3.4Å; A47-S108 WeakPolarHBondContact CB-OG 3.36Å; A47-S108 PolarHBondContact N-OG 3.44Å; A47-L109 HydrophobicContact CB-CB 3.98Å; A47-L109 HydrophobicContact CB-CD1 4.32Å
48R82.8Confident80.5Confident173 Ų17380.8 Ų80.865%0.65342%0.418SS*.Hα-helixtrans-61.6-41.2175.6-72.5-177.3-124.9148-1.7112.6L44 A45 R46 L51 G52L44-R48 WeakPolarHBondContact O-CG 3.26Å; L44-R48 PolarHBondContact O-N 3Å; A45-R48 WeakPolarHBondContact O-CB 3.4Å; A45-R48 PolarHBondContact O-N 3.43Å; R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 2.77Å; R48-L51 PolarHBondContact O-N 2.9Å; R48-G52 PolarHBondContact O-N 3.42Å
49V84.6Confident79.2Confident118 Ų11883.3 Ų83.372%0.71543%0.429SS*.Hα-helixtrans-65-44.9176.4175.80000110.8A45 R46 A47 L51 G52A45-V49 PolarHBondContact O-N 2.95Å; R46-V49 PolarHBondContact O-N 2.94Å; A47-V49 PolarHBondContact O-N 3.29Å; V49-L51 VanDerWaalsContact C-N 3.31Å; V49-L51 PolarHBondContact O-N 3.43Å; V49-G52 PolarHBondContact O-N 3.35Å
50C83.3Confident78Confident86 Ų8687 Ų8758%0.58145%0.451SS*.Hα-helixtrans-64.3-33.6178.4-670000113.6R46 A47 G52 P106R46-C50 PolarHBondContact O-N 2.7Å; R46-C50 PolarHBondContact O-SG 2.86Å; A47-C50 PolarHBondContact O-N 3.41Å; C50-G52 VanDerWaalsContact C-N 3.31Å; C50-P106 HydrophobicContact CB-CB 4.34Å; C50-P106 HydrophobicContact CB-CG 4.5Å
51L78.1Confident76.9Confident30 Ų3092.6 Ų92.616%0.15748%0.476CS..Hα-helixtrans-77.4-16.4177.9-75.8172.2000113.3A47 R48 V49 T54 P106A47-L51 WeakPolarHBondContact O-CB 3.38Å; A47-L51 VanDerWaalsContact O-CG 3.26Å; A47-L51 WeakPolarHBondContact O-CG 3.14Å; A47-L51 PolarHBondContact O-N 2.94Å; R48-L51 PolarHBondContact O-N 2.9Å; V49-L51 VanDerWaalsContact C-N 3.31Å; V49-L51 PolarHBondContact O-N 3.43Å; L51-T54 PolarHBondContact O-OG1 3.11Å; L51-T54 VanDerWaalsContact O-OG1 3.07Å; L51-P106 HydrophobicContact CD1-CG 4.07Å; L51-P106 HydrophobicContact CD2-CG 3.49Å; L51-P106 VanDerWaalsContact CD2-CG 3.49Å; L51-P106 HydrophobicContact CG-CG 3.52Å
52G78Confident75.7Confident43 Ų4388 Ų8844%0.44346%0.461SS..THydrogen-bonded Turntrans56.5-153.4-176.400000112.9R48 V49 C50 T54R48-G52 PolarHBondContact O-N 3.42Å; V49-G52 PolarHBondContact O-N 3.35Å; C50-G52 VanDerWaalsContact C-N 3.31Å; G52-T54 VanDerWaalsContact C-N 3.34Å
53S66.9Low74.4Confident84 Ų8485 Ų8559%0.58746%0.455SS*.THydrogen-bonded Turntrans-83.8-6.5179.7-162.60000114.2K56S53-K56 WeakPolarHBondContact OG-CE 3.41Å; S53-K56 PolarHBondContact OG-NZ 3.45Å
54T61.8Low73.2Confident141 Ų14191.5 Ų91.587%0.86548%0.483SS*.THydrogen-bonded Turntrans-81.8-24.7-172.152.60000113.2L51 G52L51-T54 PolarHBondContact O-OG1 3.11Å; L51-T54 VanDerWaalsContact O-OG1 3.07Å; G52-T54 VanDerWaalsContact C-N 3.34Å
55S61.3Low72.2Confident27 Ų2799.6 Ų99.619%0.18951%0.509CS..THydrogen-bonded Turntrans-116.742.5179.1175.40000111.9V57S55-V57 VanDerWaalsContact C-N 3.27Å; S55-V57 PolarHBondContact O-N 3.04Å
56K63.6Low71Confident153 Ų153103.5 Ų103.567%0.66552%0.524SS*.  trans-75.483.2165.8-71.4-179.5179.8167.90108.7S53 S58 Q61S53-K56 WeakPolarHBondContact OG-CE 3.41Å; S53-K56 PolarHBondContact OG-NZ 3.45Å; K56-S58 PolarHBondContact O-N 3.32Å; K56-S58 VanDerWaalsContact O-N 3.1Å; K56-Q61 PolarHBondContact O-OE1 3.29Å
57V63.3Low69.8Low44 Ų44100.9 Ų100.927%0.26752%0.517SS..  trans-69.4108.1173.2-169.40000108S55 Q61 F62 F101S55-V57 VanDerWaalsContact C-N 3.27Å; S55-V57 PolarHBondContact O-N 3.04Å; V57-Q61 HydrophobicContact CG1-CB 3.59Å; V57-F62 HydrophobicContact CB-CE2 3.74Å; V57-F62 HydrophobicContact CB-CZ 4.08Å; V57-F62 HydrophobicContact CG1-CD2 3.73Å; V57-F62 HydrophobicContact CG1-CE1 4.4Å; V57-F62 HydrophobicContact CG1-CE2 3.25Å; V57-F62 HydrophobicContact CG1-CG 4.48Å; V57-F62 HydrophobicContact CG1-CZ 3.63Å; V57-F101 HydrophobicContact CB-CE1 4.2Å; V57-F101 HydrophobicContact CG2-CD1 3.61Å; V57-F101 HydrophobicContact CG2-CE1 3.64Å
58S66.8Low68.9Low51 Ų51105.3 Ų105.336%0.35755%0.545SS..  trans-73.2158.7177.779.30000110.3K56 L60 Q61 F62K56-S58 PolarHBondContact O-N 3.32Å; K56-S58 VanDerWaalsContact O-N 3.1Å; S58-L60 PolarHBondContact O-N 3.1Å; S58-L60 PolarHBondContact OG-N 3.25Å; S58-Q61 WeakPolarHBondContact O-CB 3.34Å; S58-Q61 PolarHBondContact O-N 2.99Å; S58-F62 WeakPolarHBondContact O-CD2 3.29Å
59K65.6Low68.3Low188 Ų188101 Ų10182%0.81754%0.542SS*.G310 helixtrans-54.5-25.6173.6-69.7-175.6178.9-178.20112.6Q61 F62K59-Q61 VanDerWaalsContact C-N 3.31Å; K59-F62 PolarHBondContact O-N 3.16Å
60L66.8Low67.7Low168 Ų16897.5 Ų97.588%0.8852%0.519SS*.G310 helixtrans-74.8-19177.4-61.6172.2000113.4S58 F62S58-L60 PolarHBondContact O-N 3.1Å; S58-L60 PolarHBondContact OG-N 3.25Å; L60-F62 VanDerWaalsContact C-N 3.33Å
61Q67.7Low67.2Low123 Ų12395.3 Ų95.358%0.57550%0.501SS*.G310 helixtrans-89-6175.9-68.9171.1-54.300112.2K56 V57 S58 K59K56-Q61 PolarHBondContact O-OE1 3.29Å; V57-Q61 HydrophobicContact CG1-CB 3.59Å; S58-Q61 WeakPolarHBondContact O-CB 3.34Å; S58-Q61 PolarHBondContact O-N 2.99Å; K59-Q61 VanDerWaalsContact C-N 3.31Å
62F65.5Low67.2Low59 Ų5996.4 Ų96.426%0.25951%0.509SS..  trans-97.4103.4170.9-74-78.2000109.3V57 S58 K59 L60 F64 F101V57-F62 HydrophobicContact CB-CE2 3.74Å; V57-F62 HydrophobicContact CB-CZ 4.08Å; V57-F62 HydrophobicContact CG1-CD2 3.73Å; V57-F62 HydrophobicContact CG1-CE1 4.4Å; V57-F62 HydrophobicContact CG1-CE2 3.25Å; V57-F62 HydrophobicContact CG1-CG 4.48Å; V57-F62 HydrophobicContact CG1-CZ 3.63Å; S58-F62 WeakPolarHBondContact O-CD2 3.29Å; K59-F62 PolarHBondContact O-N 3.16Å; L60-F62 VanDerWaalsContact C-N 3.33Å; F62-F64 HydrophobicContact CB-CE1 4.5Å; F62-F64 HydrophobicContact CB-CE2 4.1Å; F62-F64 HydrophobicContact CB-CZ 4.01Å; F62-F101 HydrophobicContact CE1-CZ 4.4Å; F62-F101 HydrophobicContact CZ-CE1 4.13Å; F62-F101 AromaticContact CZ-CZ 3.92Å; F62-F101 HydrophobicContact CZ-CZ 3.92Å
63D64.7Low67.3Low77 Ų7799.2 Ų99.241%0.41251%0.514SS..  trans-86.7114.6160-160.5-19.4000108.9R65D63-R65 VanDerWaalsContact C-N 3.31Å; D63-R65 VanDerWaalsContact OD1-CB 3.27Å; D63-R65 WeakPolarHBondContact OD1-CB 3.49Å; D63-R65 VanDerWaalsContact OD1-CG 3.29Å; D63-R65 WeakPolarHBondContact OD1-CG 3.31Å; D63-R65 PolarHBondContact OD1-N 2.99Å
64F66.3Low67.9Low150 Ų150100.1 Ų100.166%0.65851%0.508SS*.SBendtrans-80.5-13.3178.5-63.5-79.2000112.6F62 D66F62-F64 HydrophobicContact CB-CE1 4.5Å; F62-F64 HydrophobicContact CB-CE2 4.1Å; F62-F64 HydrophobicContact CB-CZ 4.01Å; F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 3.01Å
65R67.1Low68.7Low223 Ų22397.4 Ų97.484%0.84249%0.491SS*.THydrogen-bonded Turntrans-67.9-28.7-176.2-65.1173.8175.8-174.4-0.8112.7D63D63-R65 VanDerWaalsContact C-N 3.31Å; D63-R65 VanDerWaalsContact OD1-CB 3.27Å; D63-R65 WeakPolarHBondContact OD1-CB 3.49Å; D63-R65 VanDerWaalsContact OD1-CG 3.29Å; D63-R65 WeakPolarHBondContact OD1-CG 3.31Å; D63-R65 PolarHBondContact OD1-N 2.99Å
66D63.6Low69.5Low124 Ų12498.7 Ų98.766%0.66350%0.501SS*.THydrogen-bonded Turntrans-103.49-175.3-61.6-28.3000113.7F64F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 3.01Å
67Q64.4Low69.8Low54 Ų54101 Ų10125%0.25251%0.514SS..  trans-112.3113-176.9-64.8-154.5-74.800112R100Q67-R100 VanDerWaalsContact CD-CZ 3.42Å
68P65.2Low70Confident95 Ų95105 Ų10562%0.61753%0.534SS*.  trans-66.3139.417128.1-32.9000110I70P68-I70 PolarHBondContact O-N 2.9Å
69S70.6Confident70.1Confident83 Ų83103.3 Ų103.358%0.5852%0.524SS*.  trans-59122.7172.8-61.60000110L71 S87S69-L71 VanDerWaalsContact C-N 3.29Å; S69-L71 PolarHBondContact O-N 2.87Å; S69-S87 PolarHBondContact O-OG 2.99Å
70I70.3Confident70.1Confident45 Ų4597.7 Ų97.723%0.23150%0.503CS..SBendtrans-61.2-41.9178.7-58172.8000110.9P68 V93 T97P68-I70 PolarHBondContact O-N 2.9Å; I70-V93 HydrophobicContact CB-CG1 4.09Å; I70-V93 HydrophobicContact CD1-CG1 3.3Å; I70-V93 HydrophobicContact CG1-CB 4.5Å; I70-V93 HydrophobicContact CG1-CG1 3.33Å; I70-V93 HydrophobicContact CG1-CG2 4.4Å; I70-V93 HydrophobicContact CG2-CB 4.39Å; I70-V93 HydrophobicContact CG2-CG1 3.73Å; I70-V93 HydrophobicContact CG2-CG2 4.16Å; I70-T97 HydrophobicContact CD1-CG2 4.24Å
71L74.2Confident70.3Confident39 Ų3994 Ų9420%0.20449%0.487CS..EExtended strand (participates in β ladder)trans-116.2128.9177.7-67.8111000108.1S69 L84 F86 I120S69-L71 VanDerWaalsContact C-N 3.29Å; S69-L71 PolarHBondContact O-N 2.87Å; L71-L84 HydrophobicContact CB-CD2 4.4Å; L71-L84 HydrophobicContact CD2-CD1 4.37Å; L71-L84 HydrophobicContact CD2-CD2 4.04Å; L71-F86 HydrophobicContact CD1-CE1 4.3Å; L71-F86 HydrophobicContact CD2-CD1 4.01Å; L71-F86 HydrophobicContact CD2-CE1 3.34Å; L71-F86 HydrophobicContact CD2-CE2 4.26Å; L71-F86 HydrophobicContact CD2-CZ 3.49Å; L71-F86 VanDerWaalsContact CD2-CZ 3.49Å; L71-F86 HydrophobicContact CG-CD1 3.98Å; L71-F86 HydrophobicContact CG-CE1 3.69Å; L71-F86 HydrophobicContact CG-CZ 4.33Å; L71-I120 HydrophobicContact CD1-CD1 3.84Å
72T77.2Confident70.7Confident54 Ų5491.1 Ų91.133%0.33147%0.473SS..EExtended strand (participates in β ladder)trans-112149169.553.10000109M85T72-M85 PolarHBondContact N-O 3.01Å; T72-M85 PolarHBondContact O-N 3.2Å; T72-M85 PolarHBondContact OG1-O 2.98Å
73L80.5Confident71.1Confident102 Ų10294.3 Ų94.353%0.53449%0.487SS..EExtended strand (participates in β ladder)trans-104.9118.8177.4-75.8164.4000108.2L84 C124L73-L84 HydrophobicContact CD2-CD2 3.31Å; L73-L84 HydrophobicContact CD2-CG 3.91Å; L73-L84 HydrophobicContact CG-CD2 3.94Å; L73-C124 WeakPolarHBondContact CD2-SG 3.43Å
74E79.4Confident71.4Confident102 Ų10292 Ų9248%0.47748%0.475SS..EExtended strand (participates in β ladder)trans-98.5121.7166.2-71.8-179-175.400108K83 M85E74-K83 PolarHBondContact N-O 3.45Å; E74-K83 PolarHBondContact O-N 3.21Å; E74-M85 HydrophobicContact CB-CG 4.36Å; E74-M85 VanDerWaalsContact CD-CG 3.48Å; E74-M85 HydrophobicContact CG-CG 3.91Å
75V78.7Confident71.5Confident84 Ų8488 Ų8851%0.50946%0.459SS..EExtended strand (participates in β ladder)trans-92.6120.3174.2-176.40000106.4F82V75-F82 HydrophobicContact CG1-CE1 4.38Å; V75-F82 HydrophobicContact CG2-CD1 3.94Å; V75-F82 HydrophobicContact CG2-CE1 4.07Å
76S77.2Confident71.4Confident55 Ų5581.9 Ų81.939%0.38544%0.438SS..PPolyproline II helixtrans-56.5150.4172.5178.50000110.3D78 G79 V81S76-D78 PolarHBondContact O-N 3.15Å; S76-D78 VanDerWaalsContact O-N 3.15Å; S76-G79 VanDerWaalsContact O-CA 3.29Å; S76-G79 WeakPolarHBondContact O-CA 3.32Å; S76-G79 PolarHBondContact O-N 2.87Å; S76-V81 PolarHBondContact N-O 3.37Å; S76-V81 VanDerWaalsContact N-O 3.1Å
77E71.5Confident71.1Confident202 Ų20279.1 Ų79.194%0.94443%0.429SS*.THydrogen-bonded Turntrans-55.5-32.6-176.1-64.7-177.4175.500113.1G79E77-G79 PolarHBondContact O-N 3.01Å
78D66.6Low70.9Confident127 Ų12778.7 Ų78.768%0.67943%0.43SS*.THydrogen-bonded Turntrans-74-9175.6-58.6-41.6000112.9S76 D80 K131S76-D78 PolarHBondContact O-N 3.15Å; S76-D78 VanDerWaalsContact O-N 3.15Å; D78-D80 PolarHBondContact O-N 3.37Å; D78-D80 VanDerWaalsContact O-N 3.15Å; D78-K131 PolarHBondContact O-NZ 3.36Å
79G69.9Low70.7Confident16 Ų1678.6 Ų78.617%0.16543%0.429CS..SBendtrans66.38.6-178.500000114.6S76 E77 K131S76-G79 VanDerWaalsContact O-CA 3.29Å; S76-G79 WeakPolarHBondContact O-CA 3.32Å; S76-G79 PolarHBondContact O-N 2.87Å; E77-G79 PolarHBondContact O-N 3.01Å; G79-K131 WeakPolarHBondContact O-CD 3.35Å; G79-K131 PolarHBondContact O-NZ 3.13Å
80D65.2Low70.1Confident70 Ų7077.1 Ų77.137%0.37441%0.413SS..  trans-93.2-22.2-172.2-78.8-8.2000113.1D78 A128 K131D78-D80 PolarHBondContact O-N 3.37Å; D78-D80 VanDerWaalsContact O-N 3.15Å; D80-A128 WeakPolarHBondContact O-CB 3.04Å; D80-K131 WeakPolarHBondContact OD1-CD 3.26Å; D80-K131 VanDerWaalsContact OD1-CE 3.31Å; D80-K131 WeakPolarHBondContact OD1-CE 3.45Å; D80-K131 IonicContact OD1-NZ 2.7Å; D80-K131 PolarHBondContact OD1-NZ 3.3Å
81V71Confident69.5Low90 Ų9077.8 Ų77.855%0.54543%0.426SS..  trans-122.5116.2-177.7-174.40000109.6S76S76-V81 PolarHBondContact N-O 3.37Å; S76-V81 VanDerWaalsContact N-O 3.1Å
82F74.6Confident68.7Low63 Ų6378.6 Ų78.628%0.27643%0.433SS..EExtended strand (participates in β ladder)trans-88.1106169.8-60.6-79.9000108.2V75 C124 A127 A128V75-F82 HydrophobicContact CG1-CE1 4.38Å; V75-F82 HydrophobicContact CG2-CD1 3.94Å; V75-F82 HydrophobicContact CG2-CE1 4.07Å; F82-C124 HydrophobicContact CB-CB 3.76Å; F82-C124 WeakPolarHBondContact CD2-O 3.39Å; F82-A127 HydrophobicContact CD2-CB 4.01Å; F82-A127 HydrophobicContact CE2-CB 3.75Å; F82-A127 HydrophobicContact CZ-CB 4.34Å; F82-A128 HydrophobicContact CD2-CB 4Å; F82-A128 HydrophobicContact CE2-CB 4.31Å
83K74.1Confident67.8Low126 Ų12676.5 Ų76.555%0.54842%0.42SS..EExtended strand (participates in β ladder)trans-97.1122.8177.3-169177.8178.5-173.90109.5E74E74-K83 PolarHBondContact N-O 3.45Å; E74-K83 PolarHBondContact O-N 3.21Å
84L71.7Confident66.7Low29 Ų2974.4 Ų74.415%0.15241%0.407CS..EExtended strand (participates in β ladder)trans-79125171.1-76.9168.1000109.9L71 L73 I120 Q121L71-L84 HydrophobicContact CB-CD2 4.4Å; L71-L84 HydrophobicContact CD2-CD1 4.37Å; L71-L84 HydrophobicContact CD2-CD2 4.04Å; L73-L84 HydrophobicContact CD2-CD2 3.31Å; L73-L84 HydrophobicContact CD2-CG 3.91Å; L73-L84 HydrophobicContact CG-CD2 3.94Å; L84-I120 HydrophobicContact CD1-CB 4.32Å; L84-I120 HydrophobicContact CD1-CG2 3.89Å; L84-I120 HydrophobicContact CD2-CG2 3.74Å; L84-I120 HydrophobicContact CG-CG2 4.46Å; L84-Q121 HydrophobicContact CD1-CB 3.65Å; L84-Q121 HydrophobicContact CD1-CG 4.23Å
85M67.5Low65.6Low66 Ų6677.6 Ų77.633%0.32542%0.415SS..EExtended strand (participates in β ladder)trans-109.2129.2171.6-70-71.6-77.100108.7T72 E74 S87T72-M85 PolarHBondContact N-O 3.01Å; T72-M85 PolarHBondContact O-N 3.2Å; T72-M85 PolarHBondContact OG1-O 2.98Å; E74-M85 HydrophobicContact CB-CG 4.36Å; E74-M85 VanDerWaalsContact CD-CG 3.48Å; E74-M85 HydrophobicContact CG-CG 3.91Å; M85-S87 PolarHBondContact O-N 3.3Å
86F65.2Low64.8Low93 Ų9379.8 Ų79.841%0.40842%0.419SS..EExtended strand (participates in β ladder)trans-88.7102.3168.3-66.7-91.8000106.5L71 V88 M90 A117L71-F86 HydrophobicContact CD1-CE1 4.3Å; L71-F86 HydrophobicContact CD2-CD1 4.01Å; L71-F86 HydrophobicContact CD2-CE1 3.34Å; L71-F86 HydrophobicContact CD2-CE2 4.26Å; L71-F86 HydrophobicContact CD2-CZ 3.49Å; L71-F86 VanDerWaalsContact CD2-CZ 3.49Å; L71-F86 HydrophobicContact CG-CD1 3.98Å; L71-F86 HydrophobicContact CG-CE1 3.69Å; L71-F86 HydrophobicContact CG-CZ 4.33Å; F86-V88 PolarHBondContact O-N 2.89Å; F86-V88 VanDerWaalsContact O-N 3.15Å; F86-M90 HydrophobicContact CD1-CG 4.25Å; F86-M90 HydrophobicContact CE1-CG 4.29Å; F86-M90 HydrophobicContact CE1-SD 4.39Å; F86-A117 HydrophobicContact CE1-CB 4.14Å; F86-A117 HydrophobicContact CZ-CB 4Å
87S59.1Low64.1Low66 Ų6678.6 Ų78.646%0.46241%0.41SS..SBendtrans-60-23179.3590000112.1S69 M85S69-S87 PolarHBondContact O-OG 2.99Å; M85-S87 PolarHBondContact O-N 3.3Å
88V59.7Low63.8Low46 Ų4669.4 Ų69.428%0.27937%0.367SS..SBendtrans-142.1138-176-177.90000109.2F86 M90 T92 V93F86-V88 PolarHBondContact O-N 2.89Å; F86-V88 VanDerWaalsContact O-N 3.15Å; V88-M90 PolarHBondContact O-N 3.48Å; V88-T92 WeakPolarHBondContact CG1-OG1 3.42Å; V88-V93 HydrophobicContact CB-CG2 3.67Å; V88-V93 HydrophobicContact CG1-CG2 3.61Å
89P60.6Low63.7Low92 Ų9270.3 Ų70.360%0.59737%0.365SS*.  trans-53.4132.7174.1-23.432.2000111A91 T92 V93P89-A91 PolarHBondContact O-N 2.91Å; P89-T92 PolarHBondContact O-N 3.12Å; P89-T92 PolarHBondContact O-OG1 3.35Å; P89-V93 PolarHBondContact O-N 2.8Å
90M57.7Low63.3Low52 Ų5274.7 Ų74.726%0.25638%0.377SS..Hα-helixtrans-51.9-31-177.3-77.4-153.178.100113.2F86 V88 T92 V93 E94 Q113F86-M90 HydrophobicContact CD1-CG 4.25Å; F86-M90 HydrophobicContact CE1-CG 4.29Å; F86-M90 HydrophobicContact CE1-SD 4.39Å; V88-M90 PolarHBondContact O-N 3.48Å; M90-T92 VanDerWaalsContact C-N 3.34Å; M90-T92 PolarHBondContact O-N 3.39Å; M90-V93 PolarHBondContact O-N 3.07Å; M90-E94 WeakPolarHBondContact O-CB 3.49Å; M90-E94 VanDerWaalsContact O-CG 3.3Å; M90-E94 WeakPolarHBondContact O-CG 3.49Å; M90-E94 PolarHBondContact O-N 3.27Å; M90-Q113 HydrophobicContact CE-CG 4.21Å
91A57.3Low63.3Low59 Ų5973.8 Ų73.849%0.48837%0.369SS..Hα-helixtrans-61.9-33178.800000114.6P89 R95P89-A91 PolarHBondContact O-N 2.91Å; A91-R95 WeakPolarHBondContact O-CG 3.38Å
92T58.3Low63Low57 Ų5771.3 Ų71.335%0.3536%0.362SS..Hα-helixtrans-83.7-36.8177.543.40000111.1V88 P89 M90 R95 E96V88-T92 WeakPolarHBondContact CG1-OG1 3.42Å; P89-T92 PolarHBondContact O-N 3.12Å; P89-T92 PolarHBondContact O-OG1 3.35Å; M90-T92 VanDerWaalsContact C-N 3.34Å; M90-T92 PolarHBondContact O-N 3.39Å; T92-R95 PolarHBondContact O-N 2.93Å; T92-E96 PolarHBondContact O-N 3.35Å
93V57.9Low62.5Low10 Ų1077 Ų776%0.06139%0.394CS..Hα-helixtrans-61.5-46.2174.3170.70000112.4I70 V88 P89 M90 R95 E96 T97I70-V93 HydrophobicContact CB-CG1 4.09Å; I70-V93 HydrophobicContact CD1-CG1 3.3Å; I70-V93 HydrophobicContact CG1-CB 4.5Å; I70-V93 HydrophobicContact CG1-CG1 3.33Å; I70-V93 HydrophobicContact CG1-CG2 4.4Å; I70-V93 HydrophobicContact CG2-CB 4.39Å; I70-V93 HydrophobicContact CG2-CG1 3.73Å; I70-V93 HydrophobicContact CG2-CG2 4.16Å; V88-V93 HydrophobicContact CB-CG2 3.67Å; V88-V93 HydrophobicContact CG1-CG2 3.61Å; P89-V93 PolarHBondContact O-N 2.8Å; M90-V93 PolarHBondContact O-N 3.07Å; V93-R95 PolarHBondContact O-N 3.43Å; V93-E96 PolarHBondContact O-N 2.98Å; V93-T97 HydrophobicContact CG1-CG2 4.04Å; V93-T97 WeakPolarHBondContact O-CB 3.42Å; V93-T97 WeakPolarHBondContact O-CG2 3.49Å; V93-T97 PolarHBondContact O-N 3.45Å; V93-T97 PolarHBondContact O-OG1 2.97Å
94E56.9Low62.2Low57 Ų5778.2 Ų78.227%0.26641%0.405SS..Hα-helixtrans-57.8-37177.8-79-178.9-172.700111M90 L98M90-E94 WeakPolarHBondContact O-CB 3.49Å; M90-E94 VanDerWaalsContact O-CG 3.3Å; M90-E94 WeakPolarHBondContact O-CG 3.49Å; M90-E94 PolarHBondContact O-N 3.27Å; E94-L98 HydrophobicContact CB-CD1 3.96Å; E94-L98 HydrophobicContact CG-CD1 4.21Å; E94-L98 WeakPolarHBondContact O-CB 3.4Å; E94-L98 VanDerWaalsContact O-CD1 3.31Å; E94-L98 WeakPolarHBondContact O-CD1 3.39Å; E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 3.26Å
95R56.3Low62.2Low169 Ų16978 Ų7864%0.63841%0.406SS*.Hα-helixtrans-69.8-40.2179.7-71.5176.7-172.31662.1112.2A91 T92 V93 K99A91-R95 WeakPolarHBondContact O-CG 3.38Å; T92-R95 PolarHBondContact O-N 2.93Å; V93-R95 PolarHBondContact O-N 3.43Å; R95-K99 VanDerWaalsContact O-CB 3.25Å; R95-K99 WeakPolarHBondContact O-CB 3.28Å; R95-K99 WeakPolarHBondContact O-CD 3.5Å; R95-K99 WeakPolarHBondContact O-CE 3.38Å; R95-K99 WeakPolarHBondContact O-CG 3.39Å; R95-K99 PolarHBondContact O-N 2.88Å
96E61.7Low62.8Low130 Ų13075.8 Ų75.861%0.60740%0.396SS*.Hα-helixtrans-85.2-41.3-174.9-69.9-178.4172.800113.1T92 V93T92-E96 PolarHBondContact O-N 3.35Å; V93-E96 PolarHBondContact O-N 2.98Å
97T63.3Low63.7Low30 Ų3079.7 Ų79.718%0.18441%0.412CS..Hα-helixtrans-72.7-36-179.658.50000111.8I70 V93I70-T97 HydrophobicContact CD1-CG2 4.24Å; V93-T97 HydrophobicContact CG1-CG2 4.04Å; V93-T97 WeakPolarHBondContact O-CB 3.42Å; V93-T97 WeakPolarHBondContact O-CG2 3.49Å; V93-T97 PolarHBondContact O-N 3.45Å; V93-T97 PolarHBondContact O-OG1 2.97Å
98L64.6Low65Low9 Ų976.6 Ų76.65%0.04739%0.391CS..Hα-helixtrans-87.2-21.3-177.3-51.5168.7000113.9E94 R100 F101 V105 L109 K110E94-L98 HydrophobicContact CB-CD1 3.96Å; E94-L98 HydrophobicContact CG-CD1 4.21Å; E94-L98 WeakPolarHBondContact O-CB 3.4Å; E94-L98 VanDerWaalsContact O-CD1 3.31Å; E94-L98 WeakPolarHBondContact O-CD1 3.39Å; E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 3.26Å; L98-R100 PolarHBondContact O-N 2.9Å; L98-R100 VanDerWaalsContact O-N 3.13Å; L98-F101 HydrophobicContact CB-CD2 4.5Å; L98-F101 HydrophobicContact CD2-CD2 4.12Å; L98-F101 HydrophobicContact CD2-CE2 4.16Å; L98-F101 PolarHBondContact O-N 2.99Å; L98-V105 HydrophobicContact CB-CB 4.42Å; L98-V105 HydrophobicContact CB-CG1 4.04Å; L98-V105 HydrophobicContact CB-CG2 3.58Å; L98-V105 HydrophobicContact CD1-CG1 4.03Å; L98-V105 HydrophobicContact CD2-CG1 4.14Å; L98-V105 HydrophobicContact CG-CG1 4.31Å; L98-V105 WeakPolarHBondContact O-CG2 3.23Å; L98-L109 HydrophobicContact CD2-CD2 3.97Å; L98-L109 HydrophobicContact CD2-CG 4.22Å; L98-K110 HydrophobicContact CD1-CG 3.98Å
99K64.5Low66.1Low147 Ų14775.5 Ų75.564%0.63938%0.383SS*.Hα-helixtrans-55.2-27.9171.6-91.3170.4-163.2-179.40112.6R95 F101 G102R95-K99 VanDerWaalsContact O-CB 3.25Å; R95-K99 WeakPolarHBondContact O-CB 3.28Å; R95-K99 WeakPolarHBondContact O-CD 3.5Å; R95-K99 WeakPolarHBondContact O-CE 3.38Å; R95-K99 WeakPolarHBondContact O-CG 3.39Å; R95-K99 PolarHBondContact O-N 2.88Å; K99-F101 PolarHBondContact O-N 3.42Å; K99-G102 PolarHBondContact O-N 2.77Å
100R62.6Low67.1Low108 Ų10875.7 Ų75.741%0.40838%0.375SS..THydrogen-bonded Turntrans-67.2-19.1177.3-60.4-176.7-179.2-159.6-2.1113.2Q67 L98 G102Q67-R100 VanDerWaalsContact CD-CZ 3.42Å; L98-R100 PolarHBondContact O-N 2.9Å; L98-R100 VanDerWaalsContact O-N 3.13Å; R100-G102 VanDerWaalsContact C-N 3.28Å
101F64.1Low68.5Low50 Ų5076 Ų7622%0.21938%0.38CS..THydrogen-bonded Turntrans-89.811.5172.3-57.3-72.9000113V57 F62 L98 K99 L109V57-F101 HydrophobicContact CB-CE1 4.2Å; V57-F101 HydrophobicContact CG2-CD1 3.61Å; V57-F101 HydrophobicContact CG2-CE1 3.64Å; F62-F101 HydrophobicContact CE1-CZ 4.4Å; F62-F101 HydrophobicContact CZ-CE1 4.13Å; F62-F101 AromaticContact CZ-CZ 3.92Å; F62-F101 HydrophobicContact CZ-CZ 3.92Å; L98-F101 HydrophobicContact CB-CD2 4.5Å; L98-F101 HydrophobicContact CD2-CD2 4.12Å; L98-F101 HydrophobicContact CD2-CE2 4.16Å; L98-F101 PolarHBondContact O-N 2.99Å; K99-F101 PolarHBondContact O-N 3.42Å; F101-L109 HydrophobicContact CD2-CD2 3.77Å; F101-L109 HydrophobicContact CE2-CD2 3.94Å; F101-L109 HydrophobicContact CG-CD2 4.17Å; F101-L109 HydrophobicContact CZ-CD2 4.44Å
102G64.4Low69.9Low39 Ų3973.2 Ų73.240%0.40236%0.357SS..  trans86.6-172.7-179.300000113.5K99 R100 L104K99-G102 PolarHBondContact O-N 2.77Å; R100-G102 VanDerWaalsContact C-N 3.28Å; G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 2.93Å
103I64.2Low71.1Confident183 Ų18372.1 Ų72.194%0.93835%0.348SS*.SBendtrans-68.3-29.1-171.8-58.4167.2000111.4
104L68.1Low72.2Confident150 Ų15074.5 Ų74.579%0.78537%0.365SS*.  trans-111.587.3-175.4-164.572.5000111.8G102 P106G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 2.93Å; L104-P106 WeakPolarHBondContact O-CD 3.3Å
105V72.5Confident73.4Confident26 Ų2672.7 Ų72.716%0.15836%0.36CS..  trans-77.1121.4172.3-176.40000109.4L98 K107 L109 K110L98-V105 HydrophobicContact CB-CB 4.42Å; L98-V105 HydrophobicContact CB-CG1 4.04Å; L98-V105 HydrophobicContact CB-CG2 3.58Å; L98-V105 HydrophobicContact CD1-CG1 4.03Å; L98-V105 HydrophobicContact CD2-CG1 4.14Å; L98-V105 HydrophobicContact CG-CG1 4.31Å; L98-V105 WeakPolarHBondContact O-CG2 3.23Å; V105-K107 PolarHBondContact O-N 3.31Å; V105-L109 HydrophobicContact CG1-CB 4.22Å; V105-L109 HydrophobicContact CG1-CD2 4.07Å; V105-K110 HydrophobicContact CG1-CG 4.06Å
106P79Confident74.8Confident18 Ų1867.2 Ų67.212%0.11735%0.345CS..  trans-59.1138.4177.9-1826.2000111C50 L51 L104 S108 L109 K110C50-P106 HydrophobicContact CB-CB 4.34Å; C50-P106 HydrophobicContact CB-CG 4.5Å; L51-P106 HydrophobicContact CD1-CG 4.07Å; L51-P106 HydrophobicContact CD2-CG 3.49Å; L51-P106 VanDerWaalsContact CD2-CG 3.49Å; L51-P106 HydrophobicContact CG-CG 3.52Å; L104-P106 WeakPolarHBondContact O-CD 3.3Å; P106-S108 PolarHBondContact O-N 3.4Å; P106-L109 WeakPolarHBondContact O-CB 3.4Å; P106-L109 PolarHBondContact O-N 3.5Å; P106-K110 PolarHBondContact O-N 3.32Å
107K85.5Confident75.7Confident175 Ų17561.6 Ų61.676%0.76132%0.321SS*.Hα-helixtrans-54.2-37175.4-67.7-175.9179.7-179.10112V105 L109 K110 T111V105-K107 PolarHBondContact O-N 3.31Å; K107-L109 VanDerWaalsContact C-N 3.28Å; K107-L109 PolarHBondContact O-N 3.47Å; K107-K110 PolarHBondContact O-N 2.99Å; K107-T111 PolarHBondContact O-N 2.94Å; K107-T111 PolarHBondContact O-OG1 3.02Å
108S85.4Confident76.8Confident2 Ų262.4 Ų62.41%0.01433%0.326CS..Hα-helixtrans-61.9-31.7176.346.90000113.4A47 P106 A112A47-S108 VanDerWaalsContact CA-OG 3.23Å; A47-S108 WeakPolarHBondContact CA-OG 3.4Å; A47-S108 WeakPolarHBondContact CB-OG 3.36Å; A47-S108 PolarHBondContact N-OG 3.44Å; P106-S108 PolarHBondContact O-N 3.4Å; S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 2.9Å
109L82.7Confident78Confident22 Ų2262.2 Ų62.212%0.11533%0.326CS..Hα-helixtrans-70.9-41.6176-17161.2000111.2L44 A47 L98 F101 V105 P106 K107 T111 A112 Q113L44-L109 HydrophobicContact CD2-CD1 3.83Å; A47-L109 HydrophobicContact CB-CB 3.98Å; A47-L109 HydrophobicContact CB-CD1 4.32Å; L98-L109 HydrophobicContact CD2-CD2 3.97Å; L98-L109 HydrophobicContact CD2-CG 4.22Å; F101-L109 HydrophobicContact CD2-CD2 3.77Å; F101-L109 HydrophobicContact CE2-CD2 3.94Å; F101-L109 HydrophobicContact CG-CD2 4.17Å; F101-L109 HydrophobicContact CZ-CD2 4.44Å; V105-L109 HydrophobicContact CG1-CB 4.22Å; V105-L109 HydrophobicContact CG1-CD2 4.07Å; P106-L109 WeakPolarHBondContact O-CB 3.4Å; P106-L109 PolarHBondContact O-N 3.5Å; K107-L109 VanDerWaalsContact C-N 3.28Å; K107-L109 PolarHBondContact O-N 3.47Å; L109-T111 VanDerWaalsContact C-N 3.35Å; L109-A112 PolarHBondContact O-N 3.31Å; L109-Q113 PolarHBondContact O-N 3.46Å
110K82.8Confident79.2Confident96 Ų9657.8 Ų57.842%0.41731%0.308SS..Hα-helixtrans-61.2-44.9173.6-65.1-175.2177.4-172.70111.2L98 V105 P106 K107 A112 Q113 S114L98-K110 HydrophobicContact CD1-CG 3.98Å; V105-K110 HydrophobicContact CG1-CG 4.06Å; P106-K110 PolarHBondContact O-N 3.32Å; K107-K110 PolarHBondContact O-N 2.99Å; K110-A112 PolarHBondContact O-N 3.49Å; K110-Q113 PolarHBondContact O-N 2.93Å; K110-S114 PolarHBondContact O-N 3.12Å
111T86.7Confident80.4Confident59 Ų5957.5 Ų57.536%0.36231%0.312SS..Hα-helixtrans-60-46.6175.4-54.40000111.3Q43 K107 L109 Q113 S114 A115Q43-T111 HydrophobicContact CG-CG2 4.11Å; K107-T111 PolarHBondContact O-N 2.94Å; K107-T111 PolarHBondContact O-OG1 3.02Å; L109-T111 VanDerWaalsContact C-N 3.35Å; T111-Q113 PolarHBondContact O-N 3.44Å; T111-S114 PolarHBondContact O-N 2.84Å; T111-S114 PolarHBondContact O-OG 3.23Å; T111-A115 WeakPolarHBondContact O-CB 3.39Å; T111-A115 PolarHBondContact O-N 3.44Å
112A85.6Confident81.7Confident0 Ų055.9 Ų55.90%031%0.306CS..Hα-helixtrans-58-48.1175.700000111.8Q43 L44 S108 L109 K110 S114 A115 V116Q43-A112 HydrophobicContact CB-CB 3.85Å; L44-A112 HydrophobicContact CD2-CB 3.65Å; L44-A112 HydrophobicContact CG-CB 3.78Å; S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 2.9Å; L109-A112 PolarHBondContact O-N 3.31Å; K110-A112 PolarHBondContact O-N 3.49Å; A112-S114 PolarHBondContact O-N 3.33Å; A112-A115 PolarHBondContact O-N 2.93Å; A112-A115 VanDerWaalsContact O-N 3.12Å; A112-V116 WeakPolarHBondContact O-CG2 3.3Å; A112-V116 PolarHBondContact O-N 2.91Å; A112-V116 VanDerWaalsContact O-N 3.12Å
113Q83.3Confident83Confident35 Ų3557.5 Ų57.516%0.16431%0.307CS..Hα-helixtrans-59.7-45.1178.5-174.3175.919.100112M90 L109 K110 T111 A115 V116M90-Q113 HydrophobicContact CE-CG 4.21Å; L109-Q113 PolarHBondContact O-N 3.46Å; K110-Q113 PolarHBondContact O-N 2.93Å; T111-Q113 PolarHBondContact O-N 3.44Å; Q113-A115 VanDerWaalsContact C-N 3.26Å; Q113-A115 PolarHBondContact O-N 3.3Å; Q113-V116 PolarHBondContact O-N 2.89Å
114S81.1Confident84.2Confident60 Ų6049.3 Ų49.342%0.4227%0.266SS..Hα-helixtrans-63.9-30.7176.874.60000112.9K110 T111 A112 P118K110-S114 PolarHBondContact O-N 3.12Å; T111-S114 PolarHBondContact O-N 2.84Å; T111-S114 PolarHBondContact O-OG 3.23Å; A112-S114 PolarHBondContact O-N 3.33Å; S114-P118 VanDerWaalsContact O-CD 3.23Å; S114-P118 WeakPolarHBondContact O-CD 3.41Å
115A83.1Confident85.3Confident19 Ų1944.9 Ų44.916%0.15724%0.242CC..Hα-helixtrans-78.4-19.9178.800000113.4C40 T111 A112 Q113 P118C40-A115 HydrophobicContact CB-CB 4.5Å; T111-A115 WeakPolarHBondContact O-CB 3.39Å; T111-A115 PolarHBondContact O-N 3.44Å; A112-A115 PolarHBondContact O-N 2.93Å; A112-A115 VanDerWaalsContact O-N 3.12Å; Q113-A115 VanDerWaalsContact C-N 3.26Å; Q113-A115 PolarHBondContact O-N 3.3Å; A115-P118 WeakPolarHBondContact O-CD 3.35Å; A115-P118 WeakPolarHBondContact O-CG 3.42Å
116V85.3Confident86.2Confident54 Ų5444.3 Ų44.333%0.32724%0.237SC..Hα-helixtrans-72.9-38.9179.4168.90000111.8C40 A112 Q113 A119 I120C40-V116 WeakPolarHBondContact SG-CG2 3.39Å; A112-V116 WeakPolarHBondContact O-CG2 3.3Å; A112-V116 PolarHBondContact O-N 2.91Å; A112-V116 VanDerWaalsContact O-N 3.12Å; Q113-V116 PolarHBondContact O-N 2.89Å; V116-A119 WeakPolarHBondContact O-CB 3.43Å; V116-A119 PolarHBondContact O-N 3.35Å; V116-A119 VanDerWaalsContact O-N 3.07Å; V116-I120 HydrophobicContact CG1-CD1 3.55Å; V116-I120 HydrophobicContact CG1-CG1 3.97Å; V116-I120 WeakPolarHBondContact O-CG1 3.49Å; V116-I120 PolarHBondContact O-N 3.46Å
117A81.7Confident86.8Confident12 Ų1244.9 Ų44.910%0.09924%0.243CC..Hα-helixtrans-53-53.3179.900000113.9F86 A119 I120 Q121F86-A117 HydrophobicContact CE1-CB 4.14Å; F86-A117 HydrophobicContact CZ-CB 4Å; A117-A119 VanDerWaalsContact C-N 3.29Å; A117-A119 PolarHBondContact O-N 3.27Å; A117-I120 PolarHBondContact O-N 3.23Å; A117-Q121 PolarHBondContact O-N 3.47Å; A117-Q121 VanDerWaalsContact O-N 3.1Å
118P86Confident87Confident47 Ų4737.3 Ų37.331%0.30521%0.214SC..Hα-helixtrans-67.3-28.3176.326.3-34.8000112.9S114 A115 Q121 L122S114-P118 VanDerWaalsContact O-CD 3.23Å; S114-P118 WeakPolarHBondContact O-CD 3.41Å; A115-P118 WeakPolarHBondContact O-CD 3.35Å; A115-P118 WeakPolarHBondContact O-CG 3.42Å; P118-Q121 PolarHBondContact O-N 3.34Å; P118-L122 WeakPolarHBondContact O-CG 3.39Å; P118-L122 PolarHBondContact O-N 3.39Å
119A90.2Very high87.2Confident4 Ų438.4 Ų38.43%0.03322%0.219CC..Hα-helixtrans-66-41.8174.400000111.5L33 R36 V116 A117 Q121 L122 V123L33-A119 HydrophobicContact CD1-CB 4.08Å; L33-A119 WeakPolarHBondContact CD1-O 2.93Å; R36-A119 HydrophobicContact CB-CB 4.26Å; V116-A119 WeakPolarHBondContact O-CB 3.43Å; V116-A119 PolarHBondContact O-N 3.35Å; V116-A119 VanDerWaalsContact O-N 3.07Å; A117-A119 VanDerWaalsContact C-N 3.29Å; A117-A119 PolarHBondContact O-N 3.27Å; A119-Q121 VanDerWaalsContact C-N 3.31Å; A119-Q121 PolarHBondContact O-N 3.24Å; A119-L122 PolarHBondContact O-N 2.87Å; A119-V123 WeakPolarHBondContact O-CG2 3.37Å; A119-V123 PolarHBondContact O-N 2.89Å
120I89.4Confident87.6Confident54 Ų5441 Ų4128%0.27723%0.231SC..Hα-helixtrans-63.7-39.9174.7-62.3168.8000110.1L71 L84 V116 A117 L122 V123 C124L71-I120 HydrophobicContact CD1-CD1 3.84Å; L84-I120 HydrophobicContact CD1-CB 4.32Å; L84-I120 HydrophobicContact CD1-CG2 3.89Å; L84-I120 HydrophobicContact CD2-CG2 3.74Å; L84-I120 HydrophobicContact CG-CG2 4.46Å; V116-I120 HydrophobicContact CG1-CD1 3.55Å; V116-I120 HydrophobicContact CG1-CG1 3.97Å; V116-I120 WeakPolarHBondContact O-CG1 3.49Å; V116-I120 PolarHBondContact O-N 3.46Å; A117-I120 PolarHBondContact O-N 3.23Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 2.83Å; I120-V123 WeakPolarHBondContact O-CB 3.35Å; I120-V123 PolarHBondContact O-N 3.26Å; I120-V123 VanDerWaalsContact O-N 3.11Å; I120-C124 PolarHBondContact O-N 3.17Å; I120-C124 PolarHBondContact O-SG 3.35Å
121Q87.8Confident87.9Confident103 Ų10340.1 Ų40.148%0.48123%0.227SC..Hα-helixtrans-60.1-43.3175.2-171.9-178-25.800112.5L84 A117 P118 A119 V123 C124 E125L84-Q121 HydrophobicContact CD1-CB 3.65Å; L84-Q121 HydrophobicContact CD1-CG 4.23Å; A117-Q121 PolarHBondContact O-N 3.47Å; A117-Q121 VanDerWaalsContact O-N 3.1Å; P118-Q121 PolarHBondContact O-N 3.34Å; A119-Q121 VanDerWaalsContact C-N 3.31Å; A119-Q121 PolarHBondContact O-N 3.24Å; Q121-V123 VanDerWaalsContact C-N 3.3Å; Q121-V123 PolarHBondContact O-N 3.43Å; Q121-C124 WeakPolarHBondContact O-CB 3.23Å; Q121-C124 PolarHBondContact O-N 3.23Å; Q121-C124 VanDerWaalsContact O-N 3.16Å; Q121-E125 PolarHBondContact NE2-OE1 3.37Å; Q121-E125 VanDerWaalsContact NE2-OE1 3.15Å; Q121-E125 WeakPolarHBondContact O-CG 3.31Å; Q121-E125 PolarHBondContact O-N 3.44Å
122L91.2Very high88Confident16 Ų1642 Ų428%0.08423%0.23CC..Hα-helixtrans-61.7-38.5174.1-71.2166000111.9K29 E32 L33 R36 P118 A119 I120 C124 E125 I126K29-L122 HydrophobicContact CD-CD2 3.78Å; E32-L122 HydrophobicContact CB-CD1 4.43Å; E32-L122 HydrophobicContact CG-CD1 3.75Å; E32-L122 HydrophobicContact CG-CD2 4.27Å; L33-L122 HydrophobicContact CB-CB 4.32Å; L33-L122 HydrophobicContact CB-CD1 4.5Å; L33-L122 HydrophobicContact CD1-CB 4.28Å; R36-L122 HydrophobicContact CG-CD1 4.07Å; P118-L122 WeakPolarHBondContact O-CG 3.39Å; P118-L122 PolarHBondContact O-N 3.39Å; A119-L122 PolarHBondContact O-N 2.87Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 2.83Å; L122-C124 VanDerWaalsContact C-N 3.3Å; L122-C124 PolarHBondContact O-N 3.36Å; L122-E125 PolarHBondContact O-N 3.21Å; L122-I126 WeakPolarHBondContact O-CB 3.38Å; L122-I126 WeakPolarHBondContact O-CD1 3.35Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 2.68Å
123V91.8Very high88.2Confident72 Ų7242.8 Ų42.844%0.43623%0.234SC..Hα-helixtrans-60.7-41.5174.5173.70000111.1L33 A119 I120 Q121 I126 A127L33-V123 HydrophobicContact CD1-CG2 3.78Å; L33-V123 HydrophobicContact CD2-CG2 3.69Å; L33-V123 HydrophobicContact CG-CG2 4.41Å; A119-V123 WeakPolarHBondContact O-CG2 3.37Å; A119-V123 PolarHBondContact O-N 2.89Å; I120-V123 WeakPolarHBondContact O-CB 3.35Å; I120-V123 PolarHBondContact O-N 3.26Å; I120-V123 VanDerWaalsContact O-N 3.11Å; Q121-V123 VanDerWaalsContact C-N 3.3Å; Q121-V123 PolarHBondContact O-N 3.43Å; V123-I126 PolarHBondContact O-N 3.4Å; V123-A127 WeakPolarHBondContact O-CB 3.45Å; V123-A127 PolarHBondContact O-N 2.87Å
124C90.1Very high88.5Confident11 Ų1146.2 Ų46.27%0.07425%0.254CS..Hα-helixtrans-62.1-45.2175.2-630000112.4L73 F82 I120 Q121 L122 A127 A128L73-C124 WeakPolarHBondContact CD2-SG 3.43Å; F82-C124 HydrophobicContact CB-CB 3.76Å; F82-C124 WeakPolarHBondContact CD2-O 3.39Å; I120-C124 PolarHBondContact O-N 3.17Å; I120-C124 PolarHBondContact O-SG 3.35Å; Q121-C124 WeakPolarHBondContact O-CB 3.23Å; Q121-C124 PolarHBondContact O-N 3.23Å; Q121-C124 VanDerWaalsContact O-N 3.16Å; L122-C124 VanDerWaalsContact C-N 3.3Å; L122-C124 PolarHBondContact O-N 3.36Å; C124-A127 PolarHBondContact O-N 3.28Å; C124-A128 PolarHBondContact O-N 2.96Å
125E89.9Confident88.8Confident58 Ų5845.8 Ų45.827%0.27125%0.253SS..Hα-helixtrans-64-41.8177-69171.6-165.800111.6K29 Q121 L122 A128 L129K29-E125 WeakPolarHBondContact CE-OE2 3.48Å; K29-E125 IonicContact NZ-OE2 2.94Å; K29-E125 PolarHBondContact NZ-OE2 3.19Å; Q121-E125 PolarHBondContact NE2-OE1 3.37Å; Q121-E125 VanDerWaalsContact NE2-OE1 3.15Å; Q121-E125 WeakPolarHBondContact O-CG 3.31Å; Q121-E125 PolarHBondContact O-N 3.44Å; L122-E125 PolarHBondContact O-N 3.21Å; E125-A128 PolarHBondContact O-N 2.93Å; E125-L129 WeakPolarHBondContact O-CG 3.25Å; E125-L129 PolarHBondContact O-N 3.44Å
126I92.3Very high89Confident13 Ų1345.7 Ų45.77%0.06725%0.25CS..Hα-helixtrans-62.6-43175.3-71.4166.5000110.5Y26 K29 L33 L122 V123 L129 Q130Y26-I126 HydrophobicContact CD2-CG2 4.09Å; Y26-I126 HydrophobicContact CE2-CG2 3.54Å; K29-I126 HydrophobicContact CB-CD1 4.29Å; K29-I126 HydrophobicContact CB-CG1 3.77Å; L33-I126 HydrophobicContact CB-CD1 3.92Å; L33-I126 HydrophobicContact CD2-CD1 3.64Å; L33-I126 HydrophobicContact CG-CD1 4.4Å; L122-I126 WeakPolarHBondContact O-CB 3.38Å; L122-I126 WeakPolarHBondContact O-CD1 3.35Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 2.68Å; V123-I126 PolarHBondContact O-N 3.4Å; I126-L129 PolarHBondContact O-N 3.39Å; I126-Q130 WeakPolarHBondContact O-CB 3.13Å; I126-Q130 VanDerWaalsContact O-CG 3.29Å; I126-Q130 WeakPolarHBondContact O-CG 3.07Å; I126-Q130 PolarHBondContact O-N 3.32Å
127A90.9Very high89Confident30 Ų3047.4 Ų47.425%0.24826%0.256CS..Hα-helixtrans-63.6-40176.700000112.1F82 V123 C124 Q130 K131F82-A127 HydrophobicContact CD2-CB 4.01Å; F82-A127 HydrophobicContact CE2-CB 3.75Å; F82-A127 HydrophobicContact CZ-CB 4.34Å; V123-A127 WeakPolarHBondContact O-CB 3.45Å; V123-A127 PolarHBondContact O-N 2.87Å; C124-A127 PolarHBondContact O-N 3.28Å; A127-Q130 PolarHBondContact O-N 3.26Å; A127-K131 PolarHBondContact O-N 3.07Å
128A89.3Confident89.2Confident16 Ų1650.3 Ų50.313%0.13228%0.276CS..Hα-helixtrans-62.6-44.5173.500000111.7D80 F82 C124 E125 K131 K132D80-A128 WeakPolarHBondContact O-CB 3.04Å; F82-A128 HydrophobicContact CD2-CB 4Å; F82-A128 HydrophobicContact CE2-CB 4.31Å; C124-A128 PolarHBondContact O-N 2.96Å; E125-A128 PolarHBondContact O-N 2.93Å; A128-K131 WeakPolarHBondContact O-CB 2.92Å; A128-K131 PolarHBondContact O-N 3.24Å; A128-K132 WeakPolarHBondContact O-CG 3.45Å; A128-K132 PolarHBondContact O-N 3.25Å; A128-K132 VanDerWaalsContact O-N 3.11Å
129L89.6Confident89Confident25 Ų2555.5 Ų55.513%0.13129%0.293CS..Hα-helixtrans-63.4-42.5176-73.6171.8000111.9D25 Y26 K29 E125 I126 K131 K132 I133D25-L129 HydrophobicContact CB-CD1 4.38Å; Y26-L129 HydrophobicContact CD2-CB 4.3Å; K29-L129 HydrophobicContact CG-CD1 4.15Å; E125-L129 WeakPolarHBondContact O-CG 3.25Å; E125-L129 PolarHBondContact O-N 3.44Å; I126-L129 PolarHBondContact O-N 3.39Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.18Å; L129-K132 PolarHBondContact O-N 2.97Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 VanDerWaalsContact O-CG1 3.28Å; L129-I133 WeakPolarHBondContact O-CG1 3.29Å; L129-I133 PolarHBondContact O-N 2.94Å
130Q91.5Very high88.2Confident77 Ų7761.9 Ų61.936%0.3632%0.32SS..Hα-helixtrans-58.4-42.2175-75.6173.9-19.400111.6Y26 I126 A127 I133 N134Y26-Q130 HydrophobicContact CD2-CG 4.06Å; Y26-Q130 HydrophobicContact CE2-CG 3.37Å; Y26-Q130 PolarHBondContact OH-NE2 2.96Å; I126-Q130 WeakPolarHBondContact O-CB 3.13Å; I126-Q130 VanDerWaalsContact O-CG 3.29Å; I126-Q130 WeakPolarHBondContact O-CG 3.07Å; I126-Q130 PolarHBondContact O-N 3.32Å; A127-Q130 PolarHBondContact O-N 3.26Å; Q130-I133 PolarHBondContact O-N 3.31Å; Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 PolarHBondContact O-N 3.47Å; Q130-N134 PolarHBondContact O-ND2 2.95Å
131K89.6Confident87.3Confident78 Ų7866.8 Ų66.834%0.33934%0.342SS..Hα-helixtrans-60.8-45.9176.2-169-172.8177.4-1610111.5D78 G79 D80 A127 A128 L129 N134 A135D78-K131 PolarHBondContact O-NZ 3.36Å; G79-K131 WeakPolarHBondContact O-CD 3.35Å; G79-K131 PolarHBondContact O-NZ 3.13Å; D80-K131 WeakPolarHBondContact OD1-CD 3.26Å; D80-K131 VanDerWaalsContact OD1-CE 3.31Å; D80-K131 WeakPolarHBondContact OD1-CE 3.45Å; D80-K131 IonicContact OD1-NZ 2.7Å; D80-K131 PolarHBondContact OD1-NZ 3.3Å; A127-K131 PolarHBondContact O-N 3.07Å; A128-K131 WeakPolarHBondContact O-CB 2.92Å; A128-K131 PolarHBondContact O-N 3.24Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.18Å; K131-N134 PolarHBondContact O-N 3.03Å; K131-A135 WeakPolarHBondContact O-CB 3.48Å; K131-A135 PolarHBondContact O-N 2.94Å
132K88.6Confident86Confident99 Ų9967.3 Ų67.343%0.4336%0.355SS..Hα-helixtrans-62.5-46.1177.5-68.8178.4179.8-176.50112.4M22 A128 L129 N134 A135 L136M22-K132 HydrophobicContact SD-CB 3.99Å; A128-K132 WeakPolarHBondContact O-CG 3.45Å; A128-K132 PolarHBondContact O-N 3.25Å; A128-K132 VanDerWaalsContact O-N 3.11Å; L129-K132 PolarHBondContact O-N 2.97Å; K132-N134 VanDerWaalsContact C-N 3.34Å; K132-N134 PolarHBondContact O-N 3.32Å; K132-A135 PolarHBondContact O-N 3.38Å; K132-L136 PolarHBondContact O-N 3.07Å
133I89.8Confident84.1Confident15 Ų1572.1 Ų72.18%0.07739%0.39CS..Hα-helixtrans-59.2-46.2176.9-70.5165.4000110.3Y19 M22 L23 Y26 L129 Q130 A135 L136 M137Y19-I133 HydrophobicContact CE2-CG2 3.88Å; M22-I133 HydrophobicContact CB-CG1 4.11Å; L23-I133 HydrophobicContact CD2-CD1 4.12Å; Y26-I133 HydrophobicContact CD2-CD1 4.33Å; Y26-I133 HydrophobicContact CG-CD1 4Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 VanDerWaalsContact O-CG1 3.28Å; L129-I133 WeakPolarHBondContact O-CG1 3.29Å; L129-I133 PolarHBondContact O-N 2.94Å; Q130-I133 PolarHBondContact O-N 3.31Å; I133-A135 VanDerWaalsContact C-N 3.34Å; I133-A135 PolarHBondContact O-N 3.47Å; I133-L136 PolarHBondContact O-N 3.47Å; I133-M137 HydrophobicContact CG2-CG 4.49Å; I133-M137 VanDerWaalsContact O-CG 3.31Å; I133-M137 WeakPolarHBondContact O-CG 3.48Å; I133-M137 PolarHBondContact O-N 3.38Å
134N89.7Confident81.5Confident108 Ų10881.4 Ų81.458%0.57842%0.424SS*.Hα-helixtrans-63.7-38.2177.7-70.6-19000112.2Q130 K131 K132 M137 S138Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 PolarHBondContact O-N 3.47Å; Q130-N134 PolarHBondContact O-ND2 2.95Å; K131-N134 PolarHBondContact O-N 3.03Å; K132-N134 VanDerWaalsContact C-N 3.34Å; K132-N134 PolarHBondContact O-N 3.32Å; N134-M137 PolarHBondContact O-N 2.89Å; N134-S138 PolarHBondContact O-N 3.21Å; N134-S138 PolarHBondContact O-OG 3.4Å
135A87.7Confident81.1Confident50 Ų5085 Ų8541%0.41344%0.442SS..Hα-helixtrans-68.8-31.6176.100000113K131 K132 I133 S138K131-A135 WeakPolarHBondContact O-CB 3.48Å; K131-A135 PolarHBondContact O-N 2.94Å; K132-A135 PolarHBondContact O-N 3.38Å; I133-A135 VanDerWaalsContact C-N 3.34Å; I133-A135 PolarHBondContact O-N 3.47Å; A135-S138 PolarHBondContact O-OG 3.22Å
136L86.3Confident80.6Confident18 Ų1886.4 Ų86.49%0.09445%0.451CS..Hα-helixtrans-69.1-48.2169.6-70.2-178000110.5F15 Y19 M22 K132 I133 S138 K139F15-L136 HydrophobicContact CD2-CD2 4.23Å; F15-L136 HydrophobicContact CE2-CB 3.91Å; F15-L136 HydrophobicContact CE2-CD2 3.63Å; F15-L136 HydrophobicContact CE2-CG 4.27Å; F15-L136 HydrophobicContact CZ-CB 3.87Å; F15-L136 HydrophobicContact CZ-CD2 4.44Å; F15-L136 VanDerWaalsContact CZ-O 3.31Å; F15-L136 WeakPolarHBondContact CZ-O 3.48Å; Y19-L136 HydrophobicContact CD2-CB 4.49Å; Y19-L136 HydrophobicContact CD2-CD1 4.36Å; M22-L136 HydrophobicContact CE-CD1 3.58Å; M22-L136 HydrophobicContact CE-CG 4.4Å; M22-L136 HydrophobicContact SD-CD1 3.43Å; M22-L136 WeakPolarHBondContact SD-CD1 3.47Å; M22-L136 HydrophobicContact SD-CG 4.31Å; K132-L136 PolarHBondContact O-N 3.07Å; I133-L136 PolarHBondContact O-N 3.47Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 3Å; L136-K139 WeakPolarHBondContact O-CB 3.27Å; L136-K139 PolarHBondContact O-N 3.06Å
137M86.4Confident80Confident89 Ų8990.4 Ų90.444%0.43847%0.472SS..Hα-helixtrans-58.8-38.2179.1-72.5-66.3-67.900112.4Y19 I133 N134 K139 F140 E141Y19-M137 HydrophobicContact CD2-SD 4.47Å; Y19-M137 HydrophobicContact CE2-CG 3.89Å; Y19-M137 HydrophobicContact CE2-SD 3.63Å; I133-M137 HydrophobicContact CG2-CG 4.49Å; I133-M137 VanDerWaalsContact O-CG 3.31Å; I133-M137 WeakPolarHBondContact O-CG 3.48Å; I133-M137 PolarHBondContact O-N 3.38Å; N134-M137 PolarHBondContact O-N 2.89Å; M137-K139 PolarHBondContact O-N 3.03Å; M137-F140 PolarHBondContact O-N 3.1Å; M137-E141 PolarHBondContact O-N 3.24Å
138S86.3Confident79.4Confident74 Ų7494 Ų9452%0.51749%0.485SS..Hα-helixtrans-66.3-21.4177.462.50000113.9N134 A135 L136N134-S138 PolarHBondContact O-N 3.21Å; N134-S138 PolarHBondContact O-OG 3.4Å; A135-S138 PolarHBondContact O-OG 3.22Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 3Å
139K81.1Confident78.7Confident156 Ų15698.9 Ų98.968%0.67851%0.507SS*.Hα-helixtrans-72.7-20.7171.8-65.9176.1179.7-179.10112.2F15 L136 M137F15-K139 HydrophobicContact CE2-CD 4.41Å; L136-K139 WeakPolarHBondContact O-CB 3.27Å; L136-K139 PolarHBondContact O-N 3.06Å; M137-K139 PolarHBondContact O-N 3.03Å
140F72.5Confident78Confident137 Ų137103.8 Ų103.860%0.60153%0.532SS*.Hα-helixtrans-99.6-14.7-175.2-147.6-88000113.4F15 M137 P142F15-F140 HydrophobicContact CD1-CD2 4.37Å; F15-F140 AromaticContact CE1-CD2 3.88Å; F15-F140 HydrophobicContact CE1-CD2 3.88Å; M137-F140 PolarHBondContact O-N 3.1Å; F140-P142 WeakPolarHBondContact O-CD 3.45Å
141E72Confident77.1Confident158 Ų158105.7 Ų105.774%0.73855%0.545SS*.SBendtrans-74.8104.5168.1-79.7-173.6156.300108.7M137 S143M137-E141 PolarHBondContact O-N 3.24Å; E141-S143 PolarHBondContact O-N 3.32Å
142P59.1Low76.1Confident114 Ų114107.8 Ų107.874%0.7456%0.56SS**  trans-61.8127.7164.428.9-33.7000106.5F140 K144F140-P142 WeakPolarHBondContact O-CD 3.45Å; P142-K144 PolarHBondContact O-N 3.33Å
143S51.8Low75Confident117 Ų117108.6 Ų108.682%0.81857%0.571SS**  trans-45.4116.5160.8-179.70000106.9E141E141-S143 PolarHBondContact O-N 3.32Å
144K38.1Very low73.7Confident267 Ų267117.1 Ų117.1100%1.16162%0.616SS**  trans-54.60165-87.2-174.8177.11790110.2P142P142-K144 PolarHBondContact O-N 3.33Å

Retrieved 144 of 144 residues in 180.1 ms (Link to these results)