A0A077Z3R0_TRITR Loading...

Clc-like domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3R0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M81.9Confident91.1Very high192 Ų19268.9 Ų68.995%0.94636%0.363SS*.  0-57.60-64.4-178.8-178.300112.9I3 A4 A5 L190M1-I3 PolarHBondContact O-N 2.74Å; M1-A4 PolarHBondContact O-N 3.05Å; M1-A5 PolarHBondContact O-N 3.41Å; M1-A5 VanDerWaalsContact O-N 3.08Å; M1-L190 HydrophobicContact CB-CD1 4.4Å
2R84.6Confident91.5Very high93 Ų9369.2 Ų69.235%0.35136%0.359SS..Hα-helixtrans-52.3-53178.7-71.3173.3179.4-171.1-7.2114.2A4 A5 Q6 Y187 L190 V191R2-A4 VanDerWaalsContact C-N 3.31Å; R2-A4 PolarHBondContact O-N 3.26Å; R2-A5 PolarHBondContact O-N 3.4Å; R2-Q6 PolarHBondContact O-N 3.32Å; R2-Q6 VanDerWaalsContact O-N 3.09Å; R2-Y187 HydrophobicContact CB-CE2 4.4Å; R2-Y187 WeakPolarHBondContact O-CD2 3.26Å; R2-L190 HydrophobicContact CG-CB 3.66Å; R2-L190 HydrophobicContact CG-CD1 4.33Å; R2-L190 PolarHBondContact NE-O 3.3Å; R2-L190 PolarHBondContact NH2-O 3.42Å; R2-V191 PolarHBondContact NH2-O 3.42Å
3I87Confident91.8Very high127 Ų12763.8 Ų63.865%0.65133%0.331SS*.Hα-helixtrans-62.5-39.2-179-58.1173.8000111M1 Q6 V7M1-I3 PolarHBondContact O-N 2.74Å; I3-Q6 PolarHBondContact O-N 3.33Å; I3-V7 HydrophobicContact CG2-CG2 4.14Å; I3-V7 VanDerWaalsContact O-CG2 3.3Å; I3-V7 WeakPolarHBondContact O-CG2 3.49Å; I3-V7 PolarHBondContact O-N 3.33Å
4A90.9Very high92.1Very high51 Ų5167.1 Ų67.142%0.42135%0.349SS..Hα-helixtrans-63-44.3177.500000111.9M1 R2 Q6 V7 I8M1-A4 PolarHBondContact O-N 3.05Å; R2-A4 VanDerWaalsContact C-N 3.31Å; R2-A4 PolarHBondContact O-N 3.26Å; A4-Q6 VanDerWaalsContact C-N 3.3Å; A4-Q6 PolarHBondContact O-N 3.29Å; A4-V7 PolarHBondContact O-N 3.02Å; A4-I8 WeakPolarHBondContact O-CB 3.25Å; A4-I8 WeakPolarHBondContact O-CD1 3.06Å; A4-I8 WeakPolarHBondContact O-CG1 3.02Å; A4-I8 PolarHBondContact O-N 3.42Å
5A90.6Very high92.5Very high14 Ų1468.6 Ų68.612%0.11636%0.356CS..Hα-helixtrans-62.2-38.7175.900000112.2M1 R2 G9 V186M1-A5 PolarHBondContact O-N 3.41Å; M1-A5 VanDerWaalsContact O-N 3.08Å; R2-A5 PolarHBondContact O-N 3.4Å; A5-G9 PolarHBondContact O-N 3.4Å; A5-V186 HydrophobicContact CB-CG1 4.41Å
6Q91.9Very high92.8Very high30 Ų3064.3 Ų64.314%0.1433%0.334CS..Hα-helixtrans-64.1-51.7174.9-173.61803.600111.5R2 I3 A4 I8 G9 T10 S109 W122 Y187R2-Q6 PolarHBondContact O-N 3.32Å; R2-Q6 VanDerWaalsContact O-N 3.09Å; I3-Q6 PolarHBondContact O-N 3.33Å; A4-Q6 VanDerWaalsContact C-N 3.3Å; A4-Q6 PolarHBondContact O-N 3.29Å; Q6-I8 PolarHBondContact O-N 2.84Å; Q6-G9 PolarHBondContact O-N 3.26Å; Q6-T10 HydrophobicContact CG-CG2 4.45Å; Q6-T10 WeakPolarHBondContact O-CG2 3.24Å; Q6-T10 PolarHBondContact O-N 2.93Å; Q6-T10 PolarHBondContact O-OG1 2.88Å; Q6-S109 PolarHBondContact NE2-O 3.39Å; Q6-S109 PolarHBondContact NE2-OG 2.9Å; Q6-W122 HydrophobicContact CG-CH2 4.36Å; Q6-W122 HydrophobicContact CG-CZ3 4.33Å; Q6-Y187 HydrophobicContact CB-CD2 4.02Å; Q6-Y187 HydrophobicContact CB-CE2 4.08Å
7V93.8Very high93Very high67 Ų6761.5 Ų61.541%0.40632%0.319SS..Hα-helixtrans-61.4-45.6-179.2171.80000111.5I3 A4 G9 T10 L11I3-V7 HydrophobicContact CG2-CG2 4.14Å; I3-V7 VanDerWaalsContact O-CG2 3.3Å; I3-V7 WeakPolarHBondContact O-CG2 3.49Å; I3-V7 PolarHBondContact O-N 3.33Å; A4-V7 PolarHBondContact O-N 3.02Å; V7-G9 PolarHBondContact O-N 3.23Å; V7-T10 PolarHBondContact O-N 2.95Å; V7-T10 PolarHBondContact O-OG1 3.1Å; V7-L11 HydrophobicContact CG1-CD1 4.08Å; V7-L11 HydrophobicContact CG1-CG 4.5Å; V7-L11 WeakPolarHBondContact O-CB 3.3Å; V7-L11 WeakPolarHBondContact O-CG 3.24Å; V7-L11 PolarHBondContact O-N 2.94Å
8I95.2Very high93.2Very high80 Ų8059.9 Ų59.941%0.4132%0.32SS..Hα-helixtrans-62.9-44.5177.7-66.4165.7000110.4A4 Q6 L11 F12A4-I8 WeakPolarHBondContact O-CB 3.25Å; A4-I8 WeakPolarHBondContact O-CD1 3.06Å; A4-I8 WeakPolarHBondContact O-CG1 3.02Å; A4-I8 PolarHBondContact O-N 3.42Å; Q6-I8 PolarHBondContact O-N 2.84Å; I8-L11 PolarHBondContact O-N 2.91Å; I8-F12 HydrophobicContact CG2-CD2 4.06Å; I8-F12 HydrophobicContact CG2-CE2 3.55Å; I8-F12 HydrophobicContact CG2-CZ 3.96Å; I8-F12 PolarHBondContact O-N 3.41Å; I8-F12 VanDerWaalsContact O-N 3.09Å
9G95.1Very high93.4Very high0 Ų058.8 Ų58.80%031%0.314CS..Hα-helixtrans-63.1-43.7178.400000113.2A5 Q6 V7 F12 Q13A5-G9 PolarHBondContact O-N 3.4Å; Q6-G9 PolarHBondContact O-N 3.26Å; V7-G9 PolarHBondContact O-N 3.23Å; G9-F12 PolarHBondContact O-N 2.98Å; G9-Q13 WeakPolarHBondContact O-CB 3.23Å; G9-Q13 PolarHBondContact O-N 2.91Å
10T94.5Very high93.5Very high8 Ų856.2 Ų56.25%0.04930%0.3CS..Hα-helixtrans-69.5-32.5178.557.80000112.3Q6 V7 Q13 L14 L106 Y110 W122Q6-T10 HydrophobicContact CG-CG2 4.45Å; Q6-T10 WeakPolarHBondContact O-CG2 3.24Å; Q6-T10 PolarHBondContact O-N 2.93Å; Q6-T10 PolarHBondContact O-OG1 2.88Å; V7-T10 PolarHBondContact O-N 2.95Å; V7-T10 PolarHBondContact O-OG1 3.1Å; T10-Q13 PolarHBondContact O-N 3.47Å; T10-L14 WeakPolarHBondContact O-CB 3.46Å; T10-L14 PolarHBondContact O-N 2.76Å; T10-L106 HydrophobicContact CG2-CD2 4.21Å; T10-Y110 HydrophobicContact CG2-CE2 3.9Å; T10-Y110 PolarHBondContact OG1-OH 3.04Å; T10-W122 HydrophobicContact CG2-CH2 4.29Å; T10-W122 HydrophobicContact CG2-CZ2 3.85Å
11L96.2Very high93.6Very high96 Ų9658 Ų5850%0.50331%0.309SS..Hα-helixtrans-63.4-47.9172.3-73.8173.3000111.9V7 I8 Q13 L14 I15V7-L11 HydrophobicContact CG1-CD1 4.08Å; V7-L11 HydrophobicContact CG1-CG 4.5Å; V7-L11 WeakPolarHBondContact O-CB 3.3Å; V7-L11 WeakPolarHBondContact O-CG 3.24Å; V7-L11 PolarHBondContact O-N 2.94Å; I8-L11 PolarHBondContact O-N 2.91Å; L11-Q13 VanDerWaalsContact C-N 3.27Å; L11-Q13 PolarHBondContact O-N 2.84Å; L11-L14 PolarHBondContact O-N 3.2Å; L11-I15 WeakPolarHBondContact O-CG1 3.36Å; L11-I15 PolarHBondContact O-N 3.29Å
12F96.3Very high94.3Very high72 Ų7252.1 Ų52.132%0.31629%0.285SS..Hα-helixtrans-60.5-39.6174.8-68.9-30.2000112.2I8 G9 G16 L176 A179 A180I8-F12 HydrophobicContact CG2-CD2 4.06Å; I8-F12 HydrophobicContact CG2-CE2 3.55Å; I8-F12 HydrophobicContact CG2-CZ 3.96Å; I8-F12 PolarHBondContact O-N 3.41Å; I8-F12 VanDerWaalsContact O-N 3.09Å; G9-F12 PolarHBondContact O-N 2.98Å; F12-G16 PolarHBondContact O-N 3.38Å; F12-L176 HydrophobicContact CD1-CD2 3.97Å; F12-L176 HydrophobicContact CG-CD2 4.43Å; F12-A179 HydrophobicContact CD2-CB 3.88Å; F12-A179 HydrophobicContact CE2-CB 4.18Å; F12-A179 HydrophobicContact CG-CB 4.46Å; F12-A180 HydrophobicContact CB-CB 4.23Å
13Q95.4Very high94.8Very high0 Ų047.8 Ų47.80%027%0.268CS..Hα-helixtrans-66.3-41.8178.3-168.7169.3-1.200112.1G9 T10 L11 G16 I17 S102 L106 N126 A180G9-Q13 WeakPolarHBondContact O-CB 3.23Å; G9-Q13 PolarHBondContact O-N 2.91Å; T10-Q13 PolarHBondContact O-N 3.47Å; L11-Q13 VanDerWaalsContact C-N 3.27Å; L11-Q13 PolarHBondContact O-N 2.84Å; Q13-G16 PolarHBondContact O-N 2.83Å; Q13-I17 HydrophobicContact CG-CD1 4.1Å; Q13-I17 WeakPolarHBondContact O-CD1 3.28Å; Q13-I17 VanDerWaalsContact O-CG1 3.24Å; Q13-I17 WeakPolarHBondContact O-CG1 3.39Å; Q13-I17 PolarHBondContact O-N 2.86Å; Q13-S102 VanDerWaalsContact CG-OG 3.28Å; Q13-S102 WeakPolarHBondContact CG-OG 3.35Å; Q13-S102 PolarHBondContact NE2-O 3.27Å; Q13-S102 PolarHBondContact NE2-OG 2.89Å; Q13-L106 HydrophobicContact CB-CD2 3.74Å; Q13-L106 HydrophobicContact CB-CG 4.35Å; Q13-L106 VanDerWaalsContact CD-CD2 3.48Å; Q13-L106 HydrophobicContact CG-CD1 4.43Å; Q13-L106 HydrophobicContact CG-CD2 3.6Å; Q13-L106 HydrophobicContact CG-CG 3.71Å; Q13-N126 PolarHBondContact NE2-OD1 3.21Å; Q13-N126 VanDerWaalsContact NE2-OD1 3.07Å; Q13-A180 HydrophobicContact CB-CB 4.1Å
14L96.1Very high95.2Very high110 Ų11042.7 Ų42.758%0.57624%0.242SC*.Hα-helixtrans-63.6-46.4177.1-171.5151.7000111.7T10 L11 I17 G18T10-L14 WeakPolarHBondContact O-CB 3.46Å; T10-L14 PolarHBondContact O-N 2.76Å; L11-L14 PolarHBondContact O-N 3.2Å; L14-I17 PolarHBondContact O-N 2.9Å; L14-G18 PolarHBondContact O-N 2.87Å
15I97.5Very high95.3Very high89 Ų8945.9 Ų45.946%0.45625%0.252SS..Hα-helixtrans-64.3-43.6176.3-61.1167.8000110L11 I17 G18 L19 L176L11-I15 WeakPolarHBondContact O-CG1 3.36Å; L11-I15 PolarHBondContact O-N 3.29Å; I15-I17 PolarHBondContact O-N 3.49Å; I15-G18 PolarHBondContact O-N 2.95Å; I15-L19 HydrophobicContact CG2-CD1 4.29Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 2.82Å; I15-L176 HydrophobicContact CB-CD1 3.92Å; I15-L176 HydrophobicContact CG2-CD1 3.44Å; I15-L176 VanDerWaalsContact CG2-CD1 3.44Å
16G97.2Very high95.4Very high0 Ų046.3 Ų46.30%025%0.253CS..Hα-helixtrans-58-44.6176.500000112.7F12 Q13 L19 V20 A173F12-G16 PolarHBondContact O-N 3.38Å; Q13-G16 PolarHBondContact O-N 2.83Å; G16-L19 PolarHBondContact O-N 3.16Å; G16-V20 WeakPolarHBondContact O-CG2 3.44Å; G16-V20 PolarHBondContact O-N 3.25Å; G16-A173 WeakPolarHBondContact O-CB 3.21Å
17I96.5Very high95.3Very high17 Ų1745.1 Ų45.19%0.08725%0.249CC..Hα-helixtrans-62.6-45.3175.6-70.4159.6000110.9Q13 L14 I15 L19 V20 L21 S102 V103 L106Q13-I17 HydrophobicContact CG-CD1 4.1Å; Q13-I17 WeakPolarHBondContact O-CD1 3.28Å; Q13-I17 VanDerWaalsContact O-CG1 3.24Å; Q13-I17 WeakPolarHBondContact O-CG1 3.39Å; Q13-I17 PolarHBondContact O-N 2.86Å; L14-I17 PolarHBondContact O-N 2.9Å; I15-I17 PolarHBondContact O-N 3.49Å; I17-L19 VanDerWaalsContact C-N 3.31Å; I17-L19 PolarHBondContact O-N 2.97Å; I17-V20 PolarHBondContact O-N 3.4Å; I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 HydrophobicContact CG2-CG 4.29Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 WeakPolarHBondContact O-CG 3.33Å; I17-L21 PolarHBondContact O-N 3.18Å; I17-S102 WeakPolarHBondContact CG1-OG 3.5Å; I17-V103 HydrophobicContact CD1-CG2 3.97Å; I17-V103 HydrophobicContact CG1-CG2 4.31Å; I17-V103 HydrophobicContact CG2-CG2 3.94Å; I17-L106 HydrophobicContact CD1-CD1 3.27Å; I17-L106 HydrophobicContact CD1-CG 3.86Å
18G96.8Very high95.2Very high33 Ų3342 Ų4234%0.3423%0.229SC..Hα-helixtrans-56.3-45.6175.600000112.1L14 I15 L21 T22L14-G18 PolarHBondContact O-N 2.87Å; I15-G18 PolarHBondContact O-N 2.95Å; G18-L21 PolarHBondContact O-N 3.2Å; G18-T22 WeakPolarHBondContact O-CG2 3.46Å; G18-T22 PolarHBondContact O-N 2.79Å; G18-T22 PolarHBondContact O-OG1 3.31Å
19L97.2Very high95.2Very high39 Ų3938.1 Ų38.120%0.20421%0.21CC..Hα-helixtrans-65.1-42.9177.1-68.4177.8000112.7I15 G16 I17 L21 T22 A23 L169 A172 A173 L176I15-L19 HydrophobicContact CG2-CD1 4.29Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 2.82Å; G16-L19 PolarHBondContact O-N 3.16Å; I17-L19 VanDerWaalsContact C-N 3.31Å; I17-L19 PolarHBondContact O-N 2.97Å; L19-L21 PolarHBondContact O-N 3Å; L19-T22 WeakPolarHBondContact CA-OG1 3.22Å; L19-T22 PolarHBondContact O-N 3.42Å; L19-T22 PolarHBondContact O-OG1 3.45Å; L19-A23 VanDerWaalsContact O-CB 3.28Å; L19-A23 WeakPolarHBondContact O-CB 3.16Å; L19-A23 PolarHBondContact O-N 2.74Å; L19-L169 HydrophobicContact CD2-CD2 3.79Å; L19-A172 HydrophobicContact CD1-CB 4.03Å; L19-A173 HydrophobicContact CB-CB 3.65Å; L19-L176 HydrophobicContact CD1-CD1 3.75Å
20V96.3Very high95Very high5 Ų538.5 Ų38.53%0.0321%0.211CC..Hα-helixtrans-60.4-45.7174.2173.80000110.9G16 I17 A23 L24 A173G16-V20 WeakPolarHBondContact O-CG2 3.44Å; G16-V20 PolarHBondContact O-N 3.25Å; I17-V20 PolarHBondContact O-N 3.4Å; V20-A23 PolarHBondContact O-N 3.31Å; V20-L24 HydrophobicContact CG1-CD1 3.78Å; V20-L24 HydrophobicContact CG1-CG 4.12Å; V20-L24 WeakPolarHBondContact O-CB 3.4Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 2.84Å; V20-A173 HydrophobicContact CG2-CB 3.49Å; V20-A173 VanDerWaalsContact CG2-CB 3.49Å
21L95.5Very high94.9Very high94 Ų9439.7 Ų39.749%0.49222%0.218SC..Hα-helixtrans-62.3-47.3179.5-71.9174.2000111.4I17 G18 L19 A23 L24 L25I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 HydrophobicContact CG2-CG 4.29Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 WeakPolarHBondContact O-CG 3.33Å; I17-L21 PolarHBondContact O-N 3.18Å; G18-L21 PolarHBondContact O-N 3.2Å; L19-L21 PolarHBondContact O-N 3Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.82Å; L21-L24 PolarHBondContact O-N 2.78Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.15Å; L21-L25 PolarHBondContact O-N 3.17Å
22T96.2Very high94.6Very high70 Ų7035.2 Ų35.243%0.42920%0.195SC..Hα-helixtrans-59.5-45.1176.256.50000111.2G18 L19 L24 L25 T26G18-T22 WeakPolarHBondContact O-CG2 3.46Å; G18-T22 PolarHBondContact O-N 2.79Å; G18-T22 PolarHBondContact O-OG1 3.31Å; L19-T22 WeakPolarHBondContact CA-OG1 3.22Å; L19-T22 PolarHBondContact O-N 3.42Å; L19-T22 PolarHBondContact O-OG1 3.45Å; T22-L24 PolarHBondContact O-N 2.98Å; T22-L25 PolarHBondContact O-N 3.07Å; T22-T26 VanDerWaalsContact O-CG2 3.23Å; T22-T26 WeakPolarHBondContact O-CG2 3.22Å; T22-T26 PolarHBondContact O-N 3.42Å
23A95.6Very high94.3Very high1 Ų137.6 Ų37.61%0.00820%0.203CC..Hα-helixtrans-61.4-41.6177.100000112.4L19 V20 L21 T26 W29 S166 L169 A170L19-A23 VanDerWaalsContact O-CB 3.28Å; L19-A23 WeakPolarHBondContact O-CB 3.16Å; L19-A23 PolarHBondContact O-N 2.74Å; V20-A23 PolarHBondContact O-N 3.31Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.82Å; A23-T26 WeakPolarHBondContact O-CG2 3.27Å; A23-W29 HydrophobicContact CB-CZ2 4.03Å; A23-W29 PolarHBondContact O-NE1 2.79Å; A23-S166 WeakPolarHBondContact CB-O 3.5Å; A23-L169 HydrophobicContact CB-CB 4.02Å; A23-A170 HydrophobicContact CB-CB 4.18Å
24L94.6Very high93.9Very high20 Ų2038.1 Ų38.111%0.10521%0.205CC..Hα-helixtrans-68.5-36.9179-74.6178000112.8V20 L21 T22 L45 W46 L92 L95V20-L24 HydrophobicContact CG1-CD1 3.78Å; V20-L24 HydrophobicContact CG1-CG 4.12Å; V20-L24 WeakPolarHBondContact O-CB 3.4Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 2.84Å; L21-L24 PolarHBondContact O-N 2.78Å; T22-L24 PolarHBondContact O-N 2.98Å; L24-L45 HydrophobicContact CD2-CD2 4.16Å; L24-W46 PolarHBondContact O-NE1 3.43Å; L24-L92 HydrophobicContact CD2-CD1 3.77Å; L24-L95 HydrophobicContact CD2-CB 3.9Å; L24-L95 HydrophobicContact CD2-CD1 4.31Å
25L92.9Very high93.3Very high118 Ų11837.9 Ų37.962%0.61821%0.205SC*.Hα-helixtrans-79.1-20.9-175.8-69.8172.6000113.5L21 T22 W46L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.15Å; L21-L25 PolarHBondContact O-N 3.17Å; T22-L25 PolarHBondContact O-N 3.07Å; L25-W46 HydrophobicContact CD2-CZ2 4.35Å
26T92.9Very high92.5Very high24 Ų2438.6 Ų38.615%0.14721%0.206CC..  trans-93.6146.5-179.8-178.30000112.8T22 A23 A28 Y165 S166T22-T26 VanDerWaalsContact O-CG2 3.23Å; T22-T26 WeakPolarHBondContact O-CG2 3.22Å; T22-T26 PolarHBondContact O-N 3.42Å; A23-T26 WeakPolarHBondContact O-CG2 3.27Å; T26-A28 PolarHBondContact OG1-N 3.27Å; T26-Y165 HydrophobicContact CG2-CE2 3.88Å; T26-Y165 PolarHBondContact OG1-OH 3.21Å; T26-S166 VanDerWaalsContact CG2-CB 3.48Å; T26-S166 WeakPolarHBondContact CG2-OG 3.48Å
27A89.4Confident91.7Very high5 Ų541.6 Ų41.64%0.04122%0.224CC..SBendtrans-82.1-5.6177.100000114W29 Q42 H43 G44 L47 C49A27-W29 PolarHBondContact O-N 2.85Å; A27-Q42 HydrophobicContact CB-CB 4.22Å; A27-Q42 CarbonylContact O-C 3.57Å; A27-H43 CarbonylContact O-C 2.86Å; A27-H43 PolarHBondContact O-N 3.2Å; A27-G44 VanDerWaalsContact O-CA 3.31Å; A27-G44 WeakPolarHBondContact O-CA 3.04Å; A27-G44 PolarHBondContact O-N 3.5Å; A27-L47 HydrophobicContact CB-CB 4.37Å; A27-L47 WeakPolarHBondContact CB-O 3.41Å; A27-C49 HydrophobicContact CB-CB 4.01Å
28A92.3Very high91Very high0 Ų047.1 Ų47.10%025%0.248CC..THydrogen-bonded Turntrans-83.548.9-171.500000114.8T26 V31 G164 Y165 S166T26-A28 PolarHBondContact OG1-N 3.27Å; A28-V31 HydrophobicContact CB-CG2 4.3Å; A28-G164 CarbonylContact O-C 3.51Å; A28-G164 WeakPolarHBondContact O-CA 3.34Å; A28-Y165 HydrophobicContact CB-CD1 3.5Å; A28-Y165 HydrophobicContact CB-CD2 4.47Å; A28-Y165 HydrophobicContact CB-CE1 3.03Å; A28-Y165 HydrophobicContact CB-CE2 4.09Å; A28-Y165 HydrophobicContact CB-CG 4.21Å; A28-Y165 PolarHBondContact O-N 3.42Å; A28-S166 WeakPolarHBondContact CA-OG 3.43Å; A28-S166 WeakPolarHBondContact CB-OG 3.49Å; A28-S166 PolarHBondContact N-OG 2.94Å; A28-S166 WeakPolarHBondContact O-CB 3.09Å; A28-S166 PolarHBondContact O-N 3.38Å; A28-S166 PolarHBondContact O-OG 3.3Å
29W94Very high90.5Very high0 Ų048.1 Ų48.10%024%0.244CC..THydrogen-bonded Turntrans-82.4-44.2176.3-81.779.3000112.4A23 A27 H43 L45 L95 F140 G164 F167 A170A23-W29 HydrophobicContact CB-CZ2 4.03Å; A23-W29 PolarHBondContact O-NE1 2.79Å; A27-W29 PolarHBondContact O-N 2.85Å; W29-H43 VanDerWaalsContact CB-O 3.3Å; W29-H43 WeakPolarHBondContact CB-O 3.31Å; W29-H43 PolarHBondContact N-O 3.12Å; W29-L45 HydrophobicContact CB-CD1 4.18Å; W29-L45 HydrophobicContact CD2-CD1 3.13Å; W29-L45 HydrophobicContact CE3-CD1 3.79Å; W29-L45 HydrophobicContact CG-CD1 3.3Å; W29-L45 HydrophobicContact CH2-CD1 4.2Å; W29-L45 HydrophobicContact CZ2-CD1 3.64Å; W29-L45 HydrophobicContact CZ2-CD2 4.48Å; W29-L45 HydrophobicContact CZ3-CD1 4.26Å; W29-L95 HydrophobicContact CH2-CD1 3.31Å; W29-L95 HydrophobicContact CZ2-CD1 3.77Å; W29-L95 HydrophobicContact CZ3-CD1 4.23Å; W29-F140 HydrophobicContact CB-CE2 3.98Å; W29-F140 HydrophobicContact CB-CZ 3.8Å; W29-F140 HydrophobicContact CD2-CE2 4.19Å; W29-F140 HydrophobicContact CD2-CZ 4.3Å; W29-F140 AromaticContact CE3-CD1 3.94Å; W29-F140 HydrophobicContact CE3-CD1 3.94Å; W29-F140 AromaticContact CE3-CD2 3.73Å; W29-F140 HydrophobicContact CE3-CD2 3.73Å; W29-F140 AromaticContact CE3-CE1 3.73Å; W29-F140 HydrophobicContact CE3-CE1 3.73Å; W29-F140 AromaticContact CE3-CE2 3.53Å; W29-F140 HydrophobicContact CE3-CE2 3.53Å; W29-F140 AromaticContact CE3-CG 3.95Å; W29-F140 HydrophobicContact CE3-CG 3.95Å; W29-F140 AromaticContact CE3-CZ 3.54Å; W29-F140 HydrophobicContact CE3-CZ 3.54Å; W29-F140 HydrophobicContact CG-CE2 4.41Å; W29-F140 HydrophobicContact CG-CZ 4.46Å; W29-F140 HydrophobicContact CZ3-CD1 4.07Å; W29-F140 HydrophobicContact CZ3-CD2 4.04Å; W29-F140 HydrophobicContact CZ3-CE1 4.31Å; W29-F140 HydrophobicContact CZ3-CE2 4.3Å; W29-F140 AromaticContact CZ3-CG 3.95Å; W29-F140 HydrophobicContact CZ3-CG 3.95Å; W29-F140 HydrophobicContact CZ3-CZ 4.45Å; W29-G164 PolarHBondContact O-N 3.19Å; W29-F167 HydrophobicContact CE3-CB 4.09Å; W29-F167 HydrophobicContact CE3-CD2 4.43Å; W29-F167 HydrophobicContact CZ3-CB 4.42Å; W29-F167 HydrophobicContact CZ3-CD2 4.22Å; W29-A170 HydrophobicContact CH2-CB 3.44Å; W29-A170 VanDerWaalsContact CH2-CB 3.44Å; W29-A170 HydrophobicContact CZ2-CB 4.02Å; W29-A170 HydrophobicContact CZ3-CB 4.2Å
30Q92.5Very high90.1Very high8 Ų848.1 Ų48.14%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-124.2143.6164.1-50.3178.1-82.800108.6Q42 H43 F140 Q162Q30-Q42 CarbonylContact O-C 3.57Å; Q30-Q42 WeakPolarHBondContact O-CA 3.36Å; Q30-H43 HydrophobicContact CB-CB 4.19Å; Q30-H43 PolarHBondContact N-O 2.88Å; Q30-H43 PolarHBondContact O-N 2.85Å; Q30-F140 HydrophobicContact CG-CZ 3.75Å; Q30-Q162 CarbonylContact C-O 3.6Å; Q30-Q162 WeakPolarHBondContact CA-O 3.22Å
31V92.3Very high89.7Confident32 Ų3249.4 Ų49.419%0.19425%0.25CS..EExtended strand (participates in β ladder)trans-130.3134.1-177.5-176.20000108.5A28 L40 H41 Q42 Q162A28-V31 HydrophobicContact CB-CG2 4.3Å; V31-L40 HydrophobicContact CG1-CD1 3.44Å; V31-L40 VanDerWaalsContact CG1-CD1 3.44Å; V31-L40 HydrophobicContact CG1-CG 4.22Å; V31-H41 WeakPolarHBondContact CA-O 3.46Å; V31-Q42 HydrophobicContact CG1-CG 4.4Å; V31-Q42 HydrophobicContact CG2-CG 4.19Å; V31-Q162 PolarHBondContact N-O 3.48Å; V31-Q162 PolarHBondContact O-N 3.42Å
32V90.1Very high89.5Confident2 Ų246.2 Ų46.21%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-132.1132.7173.9630000109.4H41 Y159 Q161V32-H41 HydrophobicContact CG1-CB 3.71Å; V32-H41 PolarHBondContact N-O 2.87Å; V32-H41 PolarHBondContact O-N 3.36Å; V32-Y159 VanDerWaalsContact CG2-CB 3.5Å; V32-Y159 HydrophobicContact CG2-CG 4.42Å; V32-Q161 HydrophobicContact CB-CG 4.18Å
33Y88.8Confident89.2Confident123 Ų12344 Ų4448%0.48222%0.217SC..EExtended strand (participates in β ladder)trans-104.1121.2174.3-173-107.6000108.5D35 L40 Y159Y33-D35 WeakPolarHBondContact CD1-OD1 3.4Å; Y33-D35 WeakPolarHBondContact CE1-OD1 3.36Å; Y33-L40 HydrophobicContact CD2-CB 4.29Å; Y33-L40 HydrophobicContact CD2-CD1 4.04Å; Y33-Y159 VanDerWaalsContact O-CD1 3.23Å; Y33-Y159 WeakPolarHBondContact O-CD1 3.22Å
34I86.5Confident88.9Confident10 Ų1044.2 Ų44.25%0.05122%0.219CC..EExtended strand (participates in β ladder)trans-101.199.8-179.1-57172.7000107.4Q36 T37 K38 M39 Y152 V154 Y159I34-Q36 VanDerWaalsContact C-N 3.3Å; I34-Q36 PolarHBondContact O-N 3.22Å; I34-T37 VanDerWaalsContact CG2-OG1 3.24Å; I34-T37 WeakPolarHBondContact CG2-OG1 3.47Å; I34-T37 PolarHBondContact O-N 2.83Å; I34-K38 WeakPolarHBondContact O-CA 3.41Å; I34-K38 PolarHBondContact O-N 3.4Å; I34-M39 PolarHBondContact N-O 3.41Å; I34-M39 PolarHBondContact O-N 2.86Å; I34-Y152 HydrophobicContact CD1-CD1 4.47Å; I34-Y152 HydrophobicContact CD1-CE1 4.23Å; I34-V154 HydrophobicContact CD1-CG2 4.29Å; I34-Y159 HydrophobicContact CG1-CD2 4.45Å; I34-Y159 HydrophobicContact CG2-CD2 4.42Å; I34-Y159 HydrophobicContact CG2-CE1 4.37Å; I34-Y159 HydrophobicContact CG2-CE2 3.78Å
35D84.2Confident88.7Confident105 Ų10543.3 Ų43.356%0.56121%0.214SC*.THydrogen-bonded Turntrans-58.2-40.5-176.2-65.8-40.2000112.6Y33 T37 K38 Y159Y33-D35 WeakPolarHBondContact CD1-OD1 3.4Å; Y33-D35 WeakPolarHBondContact CE1-OD1 3.36Å; D35-T37 PolarHBondContact O-N 2.83Å; D35-K38 PolarHBondContact O-N 3.18Å; D35-Y159 HydrophobicContact CB-CE1 4.22Å
36Q81.4Confident88.6Confident105 Ų10540.9 Ų40.949%0.49120%0.197SC..THydrogen-bonded Turntrans-61.9-40.2-176.2-78.3173.2-1600113.5I34 T157 Y159I34-Q36 VanDerWaalsContact C-N 3.3Å; I34-Q36 PolarHBondContact O-N 3.22Å; Q36-T157 PolarHBondContact NE2-OG1 3.23Å; Q36-T157 PolarHBondContact OE1-OG1 3.46Å; Q36-Y159 VanDerWaalsContact CG-OH 3.25Å; Q36-Y159 WeakPolarHBondContact CG-OH 3.37Å; Q36-Y159 PolarHBondContact N-OH 3.49Å; Q36-Y159 PolarHBondContact OE1-OH 2.91Å
37T79.3Confident88.4Confident62 Ų6241 Ų4138%0.3820%0.197SC..THydrogen-bonded Turntrans-101.3-2.9-179.255.80000112.3I34 D35 M39I34-T37 VanDerWaalsContact CG2-OG1 3.24Å; I34-T37 WeakPolarHBondContact CG2-OG1 3.47Å; I34-T37 PolarHBondContact O-N 2.83Å; D35-T37 PolarHBondContact O-N 2.83Å; T37-M39 HydrophobicContact CG2-CE 3.94Å; T37-M39 WeakPolarHBondContact O-CG 3.32Å; T37-M39 PolarHBondContact O-N 2.93Å; T37-M39 VanDerWaalsContact OG1-CE 3.3Å; T37-M39 WeakPolarHBondContact OG1-CE 3.14Å
38K83.2Confident88.4Confident133 Ų13341.7 Ų41.758%0.57820%0.2SC*.THydrogen-bonded Turntrans49.340.5-171.5-59.1-176.2178.1-179.50111.9I34 D35 G53I34-K38 WeakPolarHBondContact O-CA 3.41Å; I34-K38 PolarHBondContact O-N 3.4Å; D35-K38 PolarHBondContact O-N 3.18Å; K38-G53 WeakPolarHBondContact O-CA 3.43Å; K38-G53 PolarHBondContact O-N 3.11Å
39M85.1Confident88.3Confident55 Ų5542.3 Ų42.327%0.27120%0.204SC..EExtended strand (participates in β ladder)trans-108.6132.9179.3-62.8-165.3-68.200110.5I34 T37 V50 Q51 V52I34-M39 PolarHBondContact N-O 3.41Å; I34-M39 PolarHBondContact O-N 2.86Å; T37-M39 HydrophobicContact CG2-CE 3.94Å; T37-M39 WeakPolarHBondContact O-CG 3.32Å; T37-M39 PolarHBondContact O-N 2.93Å; T37-M39 VanDerWaalsContact OG1-CE 3.3Å; T37-M39 WeakPolarHBondContact OG1-CE 3.14Å; M39-V50 HydrophobicContact CB-CG1 4.27Å; M39-V50 HydrophobicContact SD-CG1 4.12Å; M39-Q51 CarbonylContact C-O 3.6Å; M39-Q51 VanDerWaalsContact CA-O 3.28Å; M39-Q51 WeakPolarHBondContact CA-O 3.29Å; M39-V52 HydrophobicContact CG-CG1 4.36Å; M39-V52 HydrophobicContact CG-CG2 4.25Å; M39-V52 HydrophobicContact SD-CG2 3.87Å
40L88.4Confident88Confident38 Ų3844.1 Ų44.120%0.19922%0.215CC..EExtended strand (participates in β ladder)trans-97.1118.4170.6-177.870.7000108.1V31 Y33 V50 Q51 W66V31-L40 HydrophobicContact CG1-CD1 3.44Å; V31-L40 VanDerWaalsContact CG1-CD1 3.44Å; V31-L40 HydrophobicContact CG1-CG 4.22Å; Y33-L40 HydrophobicContact CD2-CB 4.29Å; Y33-L40 HydrophobicContact CD2-CD1 4.04Å; L40-V50 CarbonylContact O-C 3.49Å; L40-V50 WeakPolarHBondContact O-CA 3.35Å; L40-Q51 HydrophobicContact CB-CB 4.14Å; L40-Q51 PolarHBondContact N-O 2.88Å; L40-Q51 PolarHBondContact O-N 2.97Å; L40-W66 HydrophobicContact CD2-CH2 3.84Å
41H89.1Confident87.7Confident33 Ų3347 Ų4715%0.15323%0.228CC..EExtended strand (participates in β ladder)trans-109.3123.2177.9-166.2179.3000109.3V31 V32 H43 V50V31-H41 WeakPolarHBondContact CA-O 3.46Å; V32-H41 HydrophobicContact CG1-CB 3.71Å; V32-H41 PolarHBondContact N-O 2.87Å; V32-H41 PolarHBondContact O-N 3.36Å; H41-H43 AromaticContact CD2-CE1 3.9Å; H41-H43 AromaticContact CE1-CE1 3.17Å; H41-H43 PolarHBondContact CE1-CE1 3.24Å; H41-H43 AromaticContact CE1-ND1 3.95Å; H41-H43 AromaticContact CE1-NE2 3.82Å; H41-H43 AromaticContact CG-CE1 3.95Å; H41-H43 AromaticContact CG-NE2 4Å; H41-H43 AromaticContact ND1-CE1 3.49Å; H41-H43 PolarHBondContact ND1-CE1 3.45Å; H41-H43 AromaticContact ND1-NE2 3.65Å; H41-H43 AromaticContact NE2-CE1 3.43Å; H41-H43 PolarHBondContact NE2-CE1 2.96Å; H41-H43 AromaticContact NE2-ND1 3.76Å; H41-V50 HydrophobicContact CB-CG2 4.47Å; H41-V50 VanDerWaalsContact CD2-CG2 3.43Å; H41-V50 WeakPolarHBondContact CD2-CG2 3.45Å
42Q90.8Very high87.1Confident27 Ų2747.1 Ų47.113%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-109.2118176.9-62.2-171.4-17.300109.2A27 Q30 V31 D48 C49 W66A27-Q42 HydrophobicContact CB-CB 4.22Å; A27-Q42 CarbonylContact O-C 3.57Å; Q30-Q42 CarbonylContact O-C 3.57Å; Q30-Q42 WeakPolarHBondContact O-CA 3.36Å; V31-Q42 HydrophobicContact CG1-CG 4.4Å; V31-Q42 HydrophobicContact CG2-CG 4.19Å; Q42-D48 CarbonylContact O-C 3.59Å; Q42-D48 WeakPolarHBondContact O-CA 3.46Å; Q42-C49 PolarHBondContact N-O 2.96Å; Q42-C49 PolarHBondContact O-N 3.48Å; Q42-W66 HydrophobicContact CG-CH2 4.4Å; Q42-W66 HydrophobicContact CG-CZ3 4.16Å
43H89.7Confident85.9Confident24 Ų2448.9 Ų48.911%0.11125%0.248CC..EExtended strand (participates in β ladder)trans-96.5113.5176.6-65.9-65.3000110.9A27 W29 Q30 H41 D48 Q161A27-H43 CarbonylContact O-C 2.86Å; A27-H43 PolarHBondContact O-N 3.2Å; W29-H43 VanDerWaalsContact CB-O 3.3Å; W29-H43 WeakPolarHBondContact CB-O 3.31Å; W29-H43 PolarHBondContact N-O 3.12Å; Q30-H43 HydrophobicContact CB-CB 4.19Å; Q30-H43 PolarHBondContact N-O 2.88Å; Q30-H43 PolarHBondContact O-N 2.85Å; H41-H43 AromaticContact CD2-CE1 3.9Å; H41-H43 AromaticContact CE1-CE1 3.17Å; H41-H43 PolarHBondContact CE1-CE1 3.24Å; H41-H43 AromaticContact CE1-ND1 3.95Å; H41-H43 AromaticContact CE1-NE2 3.82Å; H41-H43 AromaticContact CG-CE1 3.95Å; H41-H43 AromaticContact CG-NE2 4Å; H41-H43 AromaticContact ND1-CE1 3.49Å; H41-H43 PolarHBondContact ND1-CE1 3.45Å; H41-H43 AromaticContact ND1-NE2 3.65Å; H41-H43 AromaticContact NE2-CE1 3.43Å; H41-H43 PolarHBondContact NE2-CE1 2.96Å; H41-H43 AromaticContact NE2-ND1 3.76Å; H43-D48 VanDerWaalsContact CA-OD1 3.22Å; H43-D48 WeakPolarHBondContact CA-OD1 3.37Å; H43-D48 IonicContact CG-OD1 3.73Å; H43-D48 IonicContact ND1-OD1 3.07Å; H43-D48 PolarHBondContact ND1-OD1 3.4Å; H43-Q161 PolarHBondContact CD2-NE2 2.95Å; H43-Q161 VanDerWaalsContact CD2-NE2 3.29Å; H43-Q161 PolarHBondContact NE2-NE2 3.44Å
44G90.6Very high84.4Confident4 Ų451.6 Ų51.64%0.04127%0.265CS..  trans-95.3-17517400000112.5A27 L47 K71A27-G44 VanDerWaalsContact O-CA 3.31Å; A27-G44 WeakPolarHBondContact O-CA 3.04Å; A27-G44 PolarHBondContact O-N 3.5Å; G44-L47 WeakPolarHBondContact CA-O 3.3Å; G44-L47 PolarHBondContact N-O 2.85Å; G44-K71 PolarHBondContact O-NZ 3.08Å
45L89.8Confident82.7Confident1 Ų156.6 Ų56.61%0.00530%0.301CS..SBendtrans-73.4-33.2175.3-84.573.7000112.3L24 W29 F72 V91 L92 L95L24-L45 HydrophobicContact CD2-CD2 4.16Å; W29-L45 HydrophobicContact CB-CD1 4.18Å; W29-L45 HydrophobicContact CD2-CD1 3.13Å; W29-L45 HydrophobicContact CE3-CD1 3.79Å; W29-L45 HydrophobicContact CG-CD1 3.3Å; W29-L45 HydrophobicContact CH2-CD1 4.2Å; W29-L45 HydrophobicContact CZ2-CD1 3.64Å; W29-L45 HydrophobicContact CZ2-CD2 4.48Å; W29-L45 HydrophobicContact CZ3-CD1 4.26Å; L45-F72 WeakPolarHBondContact O-CZ 3.23Å; L45-V91 HydrophobicContact CD2-CB 4.34Å; L45-V91 HydrophobicContact CD2-CG1 3.74Å; L45-V91 HydrophobicContact CG-CG1 4.41Å; L45-L92 HydrophobicContact CB-CB 4.41Å; L45-L92 HydrophobicContact CB-CD1 4.09Å; L45-L92 HydrophobicContact CD2-CB 3.94Å; L45-L92 HydrophobicContact CD2-CD1 3.96Å; L45-L95 HydrophobicContact CD2-CD1 3.94Å
46W89.7Confident80.9Confident68 Ų6855.4 Ų55.426%0.25830%0.3SS..SBendtrans-140.5-17.8-173.665.3-73000113.4L24 L25 Y70 K71 F72 L92L24-W46 PolarHBondContact O-NE1 3.43Å; L25-W46 HydrophobicContact CD2-CZ2 4.35Å; W46-Y70 HydrophobicContact CE3-CD1 4Å; W46-Y70 AromaticContact CE3-CE1 3.88Å; W46-Y70 HydrophobicContact CE3-CE1 3.88Å; W46-Y70 HydrophobicContact CH2-CE1 4.42Å; W46-Y70 HydrophobicContact CZ3-CD1 4.09Å; W46-Y70 AromaticContact CZ3-CE1 3.48Å; W46-Y70 HydrophobicContact CZ3-CE1 3.48Å; W46-Y70 VanDerWaalsContact CZ3-CE1 3.48Å; W46-K71 WeakPolarHBondContact O-CB 3.23Å; W46-K71 PolarHBondContact O-N 3.35Å; W46-F72 HydrophobicContact CB-CD2 4.16Å; W46-F72 HydrophobicContact CB-CE2 3.59Å; W46-F72 HydrophobicContact CB-CZ 4.44Å; W46-L92 HydrophobicContact CB-CD2 4.1Å
47L89.2Confident79.3Confident27 Ų2757.9 Ų57.914%0.14132%0.315CS..EExtended strand (participates in β ladder)trans-117.6134.5173.5-71.9171000109.2A27 G44 Y70A27-L47 HydrophobicContact CB-CB 4.37Å; A27-L47 WeakPolarHBondContact CB-O 3.41Å; G44-L47 WeakPolarHBondContact CA-O 3.3Å; G44-L47 PolarHBondContact N-O 2.85Å; L47-Y70 HydrophobicContact CD2-CD1 3.59Å; L47-Y70 HydrophobicContact CD2-CE1 3.55Å; L47-Y70 HydrophobicContact CD2-CG 4.22Å
48D89.3Confident78.1Confident19 Ų1958.5 Ų58.510%0.10232%0.319CS..EExtended strand (participates in β ladder)trans-111.9133167-64.6-61.5000107.6Q42 H43 C68 T69 K71Q42-D48 CarbonylContact O-C 3.59Å; Q42-D48 WeakPolarHBondContact O-CA 3.46Å; H43-D48 VanDerWaalsContact CA-OD1 3.22Å; H43-D48 WeakPolarHBondContact CA-OD1 3.37Å; H43-D48 IonicContact CG-OD1 3.73Å; H43-D48 IonicContact ND1-OD1 3.07Å; H43-D48 PolarHBondContact ND1-OD1 3.4Å; D48-C68 CarbonylContact O-C 3.5Å; D48-C68 VanDerWaalsContact O-CA 3.23Å; D48-C68 WeakPolarHBondContact O-CA 2.85Å; D48-T69 PolarHBondContact N-O 3.38Å; D48-T69 PolarHBondContact O-N 3.5Å; D48-K71 WeakPolarHBondContact OD2-CG 3.09Å
49C90.1Very high76.5Confident13 Ų1360.9 Ų60.99%0.08833%0.332CS..EExtended strand (participates in β ladder)trans-126.5132.5-177.8-68.80000110.6A27 Q42 W66 C68A27-C49 HydrophobicContact CB-CB 4.01Å; Q42-C49 PolarHBondContact N-O 2.96Å; Q42-C49 PolarHBondContact O-N 3.48Å; C49-W66 HydrophobicContact CB-CE3 4.14Å; C49-W66 HydrophobicContact CB-CZ3 4.4Å; C49-C68 HydrophobicContact CB-CB 4.16Å; C49-C68 WeakPolarHBondContact CB-SG 3.44Å; C49-C68 WeakPolarHBondContact SG-CB 3.09Å; C49-C68 CovalentContact SG-SG 2.05Å; C49-C68 PolarHBondContact SG-SG 3.33Å
50V88.3Confident75Confident38 Ų3863 Ų6323%0.2335%0.348CS..EExtended strand (participates in β ladder)trans-115.7131.4178-178.20000109.2M39 L40 H41 W66 S67M39-V50 HydrophobicContact CB-CG1 4.27Å; M39-V50 HydrophobicContact SD-CG1 4.12Å; L40-V50 CarbonylContact O-C 3.49Å; L40-V50 WeakPolarHBondContact O-CA 3.35Å; H41-V50 HydrophobicContact CB-CG2 4.47Å; H41-V50 VanDerWaalsContact CD2-CG2 3.43Å; H41-V50 WeakPolarHBondContact CD2-CG2 3.45Å; V50-W66 CarbonylContact O-C 3.16Å; V50-W66 WeakPolarHBondContact O-CA 3.5Å; V50-S67 PolarHBondContact N-O 3.35Å; V50-S67 PolarHBondContact O-N 3.28Å
51Q86.5Confident73.3Confident67 Ų6763.3 Ų63.331%0.31336%0.356SS..EExtended strand (participates in β ladder)trans-105.5125.2168.2-160.8-179.512.700109.4M39 L40 G65 W66M39-Q51 CarbonylContact C-O 3.6Å; M39-Q51 VanDerWaalsContact CA-O 3.28Å; M39-Q51 WeakPolarHBondContact CA-O 3.29Å; L40-Q51 HydrophobicContact CB-CB 4.14Å; L40-Q51 PolarHBondContact N-O 2.88Å; L40-Q51 PolarHBondContact O-N 2.97Å; Q51-G65 WeakPolarHBondContact CA-O 3.48Å; Q51-W66 HydrophobicContact CB-CD2 3.72Å; Q51-W66 HydrophobicContact CB-CE3 3.61Å; Q51-W66 HydrophobicContact CB-CG 4.5Å; Q51-W66 HydrophobicContact CB-CH2 3.74Å; Q51-W66 HydrophobicContact CB-CZ2 3.83Å; Q51-W66 HydrophobicContact CB-CZ3 3.63Å; Q51-W66 HydrophobicContact CG-CD2 3.82Å; Q51-W66 HydrophobicContact CG-CE3 4.25Å; Q51-W66 HydrophobicContact CG-CG 4.27Å; Q51-W66 HydrophobicContact CG-CH2 4.29Å; Q51-W66 HydrophobicContact CG-CZ2 3.85Å; Q51-W66 HydrophobicContact CG-CZ3 4.47Å
52V80Confident71.6Confident36 Ų3667.6 Ų67.622%0.21838%0.38CS..EExtended strand (participates in β ladder)trans-94.9116.8174.1-174.20000108.8M39 Q54 G65M39-V52 HydrophobicContact CG-CG1 4.36Å; M39-V52 HydrophobicContact CG-CG2 4.25Å; M39-V52 HydrophobicContact SD-CG2 3.87Å; V52-Q54 PolarHBondContact O-N 3.43Å; V52-G65 PolarHBondContact N-O 3Å; V52-G65 VanDerWaalsContact N-O 3.16Å
53G65Low70.1Confident39 Ų3973 Ų7340%0.40242%0.421SS..  trans-68.993.1174.800000111.1K38K38-G53 WeakPolarHBondContact O-CA 3.43Å; K38-G53 PolarHBondContact O-N 3.11Å
54Q56.6Low68.8Low179 Ų17975.2 Ų75.284%0.83644%0.439SS*.SBendtrans48.5110.6163.5-155.7154.3-5.200116V52V52-Q54 PolarHBondContact O-N 3.43Å
55S51Low68Low116 Ų11676.1 Ų76.181%0.81145%0.448SS*.  trans79.375.1168.572.50000118.9
56S46.4Very low67.6Low79 Ų7979.1 Ų79.155%0.55246%0.46SS*.  trans-165.8101.2140.8580000111.1V58S56-V58 PolarHBondContact O-N 2.91Å
57I48.5Very low67.4Low157 Ų15777.6 Ų77.681%0.80546%0.46SS*.  trans2566.1145.1-39.1174.9000116.2
58V54Low67.3Low75 Ų7579.7 Ų79.746%0.45548%0.475SS..  trans-114.9107.4159.7-179.40000106.6S56 T60 A61S56-V58 PolarHBondContact O-N 2.91Å; V58-T60 WeakPolarHBondContact CG1-OG1 3.47Å; V58-T60 PolarHBondContact O-N 3.31Å; V58-A61 PolarHBondContact O-N 2.96Å
59H48.8Very low67.2Low183 Ų18382.9 Ų82.985%0.84750%0.496SS*.THydrogen-bonded Turntrans-66.811.1-175.5-76.3-79.2000114.8
60T53.7Low67Low100 Ų10089.3 Ų89.361%0.61352%0.519SS*.THydrogen-bonded Turntrans-128.411.317858.10000113.5V58 S67V58-T60 WeakPolarHBondContact CG1-OG1 3.47Å; V58-T60 PolarHBondContact O-N 3.31Å; T60-S67 PolarHBondContact O-OG 2.93Å
61A52.5Low66.7Low45 Ų4590.4 Ų90.437%0.37252%0.521SS..  trans-78.9123.7170.100000109.3V58V58-A61 PolarHBondContact O-N 2.96Å
62D53.9Low66.3Low122 Ų12290.5 Ų90.565%0.65252%0.52SS*.  trans-59.7165.1168.3-89.5-23.4000110.1S64 G65 W66D62-S64 PolarHBondContact O-N 3.49Å; D62-G65 PolarHBondContact O-N 3.24Å; D62-W66 PolarHBondContact N-O 2.98Å
63S58.4Low65.9Low142 Ų14292.7 Ų92.799%0.99354%0.542SS*.THydrogen-bonded Turntrans-52.1-16.517958.50000114.8
64S63.1Low65.7Low69 Ų6997.5 Ų97.548%0.48355%0.554SS.*THydrogen-bonded Turntrans-87.1-4.6176.662.40000115D62 W66D62-S64 PolarHBondContact O-N 3.49Å; S64-W66 VanDerWaalsContact C-N 3.34Å; S64-W66 VanDerWaalsContact O-CD1 3.28Å
65G74.6Confident65.4Low23 Ų2397.7 Ų97.724%0.23755%0.552CS.*SBendtrans79.811.6-179.300000114.9Q51 V52 D62Q51-G65 WeakPolarHBondContact CA-O 3.48Å; V52-G65 PolarHBondContact N-O 3Å; V52-G65 VanDerWaalsContact N-O 3.16Å; D62-G65 PolarHBondContact O-N 3.24Å
66W81.2Confident65.3Low65 Ų6599.3 Ų99.325%0.24655%0.552CS.*EExtended strand (participates in β ladder)trans-102141.5178.3-6687.9000111.5L40 Q42 C49 V50 Q51 D62 S64L40-W66 HydrophobicContact CD2-CH2 3.84Å; Q42-W66 HydrophobicContact CG-CH2 4.4Å; Q42-W66 HydrophobicContact CG-CZ3 4.16Å; C49-W66 HydrophobicContact CB-CE3 4.14Å; C49-W66 HydrophobicContact CB-CZ3 4.4Å; V50-W66 CarbonylContact O-C 3.16Å; V50-W66 WeakPolarHBondContact O-CA 3.5Å; Q51-W66 HydrophobicContact CB-CD2 3.72Å; Q51-W66 HydrophobicContact CB-CE3 3.61Å; Q51-W66 HydrophobicContact CB-CG 4.5Å; Q51-W66 HydrophobicContact CB-CH2 3.74Å; Q51-W66 HydrophobicContact CB-CZ2 3.83Å; Q51-W66 HydrophobicContact CB-CZ3 3.63Å; Q51-W66 HydrophobicContact CG-CD2 3.82Å; Q51-W66 HydrophobicContact CG-CE3 4.25Å; Q51-W66 HydrophobicContact CG-CG 4.27Å; Q51-W66 HydrophobicContact CG-CH2 4.29Å; Q51-W66 HydrophobicContact CG-CZ2 3.85Å; Q51-W66 HydrophobicContact CG-CZ3 4.47Å; D62-W66 PolarHBondContact N-O 2.98Å; S64-W66 VanDerWaalsContact C-N 3.34Å; S64-W66 VanDerWaalsContact O-CD1 3.28Å
67S84.4Confident65.4Low36 Ų36103 Ų10325%0.25256%0.56SS.*EExtended strand (participates in β ladder)trans-130.1123.2168.2-162.60000108.7V50 T60V50-S67 PolarHBondContact N-O 3.35Å; V50-S67 PolarHBondContact O-N 3.28Å; T60-S67 PolarHBondContact O-OG 2.93Å
68C88.3Confident65.1Low70 Ų70100.3 Ų100.347%0.47356%0.556SS.*EExtended strand (participates in β ladder)trans-115.6137.6-177.5-61.70000111.1D48 C49D48-C68 CarbonylContact O-C 3.5Å; D48-C68 VanDerWaalsContact O-CA 3.23Å; D48-C68 WeakPolarHBondContact O-CA 2.85Å; C49-C68 HydrophobicContact CB-CB 4.16Å; C49-C68 WeakPolarHBondContact CB-SG 3.44Å; C49-C68 WeakPolarHBondContact SG-CB 3.09Å; C49-C68 CovalentContact SG-SG 2.05Å; C49-C68 PolarHBondContact SG-SG 3.33Å
69T86.5Confident64.5Low86 Ų86102.3 Ų102.353%0.52858%0.58SS.*EExtended strand (participates in β ladder)trans-123.8150.5179600000110.9D48D48-T69 PolarHBondContact N-O 3.38Å; D48-T69 PolarHBondContact O-N 3.5Å
70Y86.2Confident64Low149 Ų14997 Ų9758%0.58456%0.564SS**EExtended strand (participates in β ladder)trans-83.6119.1177.5-74-77.8000110.5W46 L47 F72 A73W46-Y70 HydrophobicContact CE3-CD1 4Å; W46-Y70 AromaticContact CE3-CE1 3.88Å; W46-Y70 HydrophobicContact CE3-CE1 3.88Å; W46-Y70 HydrophobicContact CH2-CE1 4.42Å; W46-Y70 HydrophobicContact CZ3-CD1 4.09Å; W46-Y70 AromaticContact CZ3-CE1 3.48Å; W46-Y70 HydrophobicContact CZ3-CE1 3.48Å; W46-Y70 VanDerWaalsContact CZ3-CE1 3.48Å; L47-Y70 HydrophobicContact CD2-CD1 3.59Å; L47-Y70 HydrophobicContact CD2-CE1 3.55Å; L47-Y70 HydrophobicContact CD2-CG 4.22Å; Y70-F72 PolarHBondContact O-N 3.38Å; Y70-A73 PolarHBondContact O-N 3.44Å; Y70-A73 VanDerWaalsContact O-N 3.16Å
71K81.5Confident63.4Low60 Ų6095.5 Ų95.526%0.26157%0.567SS.*THydrogen-bonded Turntrans-59.6-23-177.7-164.7169.7-163.9164.60114.2G44 W46 D48G44-K71 PolarHBondContact O-NZ 3.08Å; W46-K71 WeakPolarHBondContact O-CB 3.23Å; W46-K71 PolarHBondContact O-N 3.35Å; D48-K71 WeakPolarHBondContact OD2-CG 3.09Å
72F78.7Confident63.1Low70 Ų7098.8 Ų98.831%0.30758%0.575SS.*THydrogen-bonded Turntrans-107.7-0.3-176.8-51.5-52.1000114.5L45 W46 Y70 E74 Q89 L92L45-F72 WeakPolarHBondContact O-CZ 3.23Å; W46-F72 HydrophobicContact CB-CD2 4.16Å; W46-F72 HydrophobicContact CB-CE2 3.59Å; W46-F72 HydrophobicContact CB-CZ 4.44Å; Y70-F72 PolarHBondContact O-N 3.38Å; F72-E74 VanDerWaalsContact C-N 3.34Å; F72-Q89 HydrophobicContact CD1-CG 4.2Å; F72-Q89 HydrophobicContact CE1-CG 3.42Å; F72-Q89 VanDerWaalsContact CE1-CG 3.42Å; F72-Q89 HydrophobicContact CE2-CG 4.4Å; F72-Q89 HydrophobicContact CZ-CG 3.55Å; F72-L92 HydrophobicContact CE2-CD2 4.04Å
73A71.2Confident62.8Low82 Ų8297.3 Ų97.368%0.67857%0.572SS**SBendtrans-73.4-26.3-176.800000113Y70Y70-A73 PolarHBondContact O-N 3.44Å; Y70-A73 VanDerWaalsContact O-N 3.16Å
74E60.3Low62.8Low140 Ų14091.2 Ų91.265%0.65453%0.529SS*.  trans-115.886.6-170.3-162.2161.9-169.300110.8F72 D76F72-E74 VanDerWaalsContact C-N 3.34Å; E74-D76 VanDerWaalsContact C-N 3.27Å
75K51.1Low63.1Low182 Ų18290.3 Ų90.379%0.79152%0.523SS*.  trans-76.9-8.7174.6-99.9-175178.9175.20114
76D47.8Very low63.6Low150 Ų15095.2 Ų95.280%0.80254%0.537SS*.SBendtrans-1226.4-155.1-67.1-27.5000117.5E74E74-D76 VanDerWaalsContact C-N 3.27Å
77Q48.4Very low63.9Low157 Ų15794.2 Ų94.273%0.73454%0.539SS*.SBendtrans-127.91.9-178.8-71.1-159.84.800119.1
78S43.8Very low64Low101 Ų10193 Ų9371%0.70653%0.529SS*.  trans-113.993.1170.2-71.60000111.7S80S78-S80 PolarHBondContact O-N 2.72Å
79A40.9Very low64.1Low116 Ų11692.9 Ų92.996%0.95952%0.521SS*.  trans-64.714.1166.600000114.1
80S38.6Very low64.3Low73 Ų7392.3 Ų92.351%0.5152%0.518SS..SBendtrans-97.6102.8169.555.50000109S78 E82S78-S80 PolarHBondContact O-N 2.72Å; S80-E82 PolarHBondContact O-N 2.9Å
81G40.5Very low64.7Low67 Ų6785.2 Ų85.269%0.69149%0.49SS*.  trans-51.596-176.800000115P83G81-P83 WeakPolarHBondContact O-CD 3.25Å
82E46Very low65.3Low114 Ų11484.3 Ų84.353%0.53349%0.487SS..  trans-101.799176.7-78.9-165.8144.600111.8S80 T84S80-E82 PolarHBondContact O-N 2.9Å; E82-T84 PolarHBondContact O-N 3.42Å; E82-T84 VanDerWaalsContact O-N 3.11Å
83P48.4Very low66.1Low92 Ų9283.8 Ų83.860%0.59750%0.496SS*.THydrogen-bonded Turntrans-63-9.8170.425.6-34.4000113.6G81 S85G81-P83 WeakPolarHBondContact O-CD 3.25Å; P83-S85 VanDerWaalsContact C-N 3.33Å; P83-S85 PolarHBondContact O-N 2.82Å
84T58.3Low67.3Low13 Ų1382.1 Ų82.18%0.0848%0.476CS..Hα-helixtrans-66.8-30.5-175.560.20000112.5E82 K86 T87 W88 N149E82-T84 PolarHBondContact O-N 3.42Å; E82-T84 VanDerWaalsContact O-N 3.11Å; T84-K86 VanDerWaalsContact C-N 3.27Å; T84-K86 PolarHBondContact O-N 2.05Å; T84-T87 PolarHBondContact O-N 2.71Å; T84-T87 VanDerWaalsContact O-N 3.12Å; T84-W88 PolarHBondContact O-N 3.5Å; T84-W88 PolarHBondContact O-NE1 3.18Å; T84-N149 WeakPolarHBondContact CG2-OD1 3.21Å
85S69.8Low68.9Low51 Ų5175.6 Ų75.636%0.35745%0.445SS..Hα-helixtrans-56.6-39-179.964.40000112.9P83 Q89P83-S85 VanDerWaalsContact C-N 3.33Å; P83-S85 PolarHBondContact O-N 2.82Å; S85-Q89 VanDerWaalsContact O-CG 3.3Å; S85-Q89 WeakPolarHBondContact O-CG 3.45Å; S85-Q89 PolarHBondContact O-N 3.43Å
86K83.2Confident71.1Confident125 Ų12569 Ų6954%0.54342%0.422SS..Hα-helixtrans-72-37.7178.7-63-57.7-178.1-176.50112.2T84 W88 Q89 V90T84-K86 VanDerWaalsContact C-N 3.27Å; T84-K86 PolarHBondContact O-N 2.05Å; K86-W88 PolarHBondContact O-N 3.46Å; K86-Q89 WeakPolarHBondContact O-CB 3.42Å; K86-Q89 PolarHBondContact O-N 2.99Å; K86-V90 WeakPolarHBondContact O-CG2 3.47Å; K86-V90 PolarHBondContact O-N 2.99Å
87T87.4Confident73.3Confident45 Ų4562.8 Ų62.828%0.27639%0.393SS..Hα-helixtrans-62.9-45179.3-51.30000111.3T84 Q89 V90 V91 V139 S143T84-T87 PolarHBondContact O-N 2.71Å; T84-T87 VanDerWaalsContact O-N 3.12Å; T87-Q89 VanDerWaalsContact C-N 3.33Å; T87-Q89 PolarHBondContact O-N 3.28Å; T87-V90 PolarHBondContact O-N 3.32Å; T87-V91 WeakPolarHBondContact O-CG2 3.39Å; T87-V91 PolarHBondContact O-N 2.89Å; T87-V139 HydrophobicContact CG2-CG1 3.96Å; T87-S143 WeakPolarHBondContact CG2-OG 3.42Å
88W87Confident75.6Confident10 Ų1055.3 Ų55.34%0.03836%0.358CS..Hα-helixtrans-64.8-37177.3-52.9122.6000112.3T84 K86 V90 V91 L92 F140T84-W88 PolarHBondContact O-N 3.5Å; T84-W88 PolarHBondContact O-NE1 3.18Å; K86-W88 PolarHBondContact O-N 3.46Å; W88-V90 VanDerWaalsContact C-N 3.35Å; W88-V91 PolarHBondContact O-N 3.34Å; W88-L92 WeakPolarHBondContact O-CB 3.3Å; W88-L92 PolarHBondContact O-N 3.3Å; W88-F140 AromaticContact CE3-CD2 3.95Å; W88-F140 HydrophobicContact CE3-CD2 3.95Å; W88-F140 HydrophobicContact CE3-CE2 4.02Å; W88-F140 HydrophobicContact CH2-CE2 4.21Å; W88-F140 AromaticContact CZ3-CD2 3.44Å; W88-F140 HydrophobicContact CZ3-CD2 3.44Å; W88-F140 VanDerWaalsContact CZ3-CD2 3.44Å; W88-F140 AromaticContact CZ3-CE2 3.36Å; W88-F140 HydrophobicContact CZ3-CE2 3.36Å; W88-F140 HydrophobicContact CZ3-CG 4.4Å; W88-F140 HydrophobicContact CZ3-CZ 4.3Å
89Q90.2Very high78.1Confident67 Ų6751 Ų5131%0.31333%0.329SS..Hα-helixtrans-62.1-40.6173-72.6175.3-11.900112.1F72 S85 K86 T87 L92 A93F72-Q89 HydrophobicContact CD1-CG 4.2Å; F72-Q89 HydrophobicContact CE1-CG 3.42Å; F72-Q89 VanDerWaalsContact CE1-CG 3.42Å; F72-Q89 HydrophobicContact CE2-CG 4.4Å; F72-Q89 HydrophobicContact CZ-CG 3.55Å; S85-Q89 VanDerWaalsContact O-CG 3.3Å; S85-Q89 WeakPolarHBondContact O-CG 3.45Å; S85-Q89 PolarHBondContact O-N 3.43Å; K86-Q89 WeakPolarHBondContact O-CB 3.42Å; K86-Q89 PolarHBondContact O-N 2.99Å; T87-Q89 VanDerWaalsContact C-N 3.33Å; T87-Q89 PolarHBondContact O-N 3.28Å; Q89-L92 PolarHBondContact O-N 3.46Å; Q89-A93 WeakPolarHBondContact O-CB 3.49Å; Q89-A93 PolarHBondContact O-N 3.37Å
90V92.2Very high80.7Confident75 Ų7550.7 Ų50.746%0.45531%0.311SS..Hα-helixtrans-65.7-45.3176.3171.60000111.1K86 T87 W88 L92 A93 L94K86-V90 WeakPolarHBondContact O-CG2 3.47Å; K86-V90 PolarHBondContact O-N 2.99Å; T87-V90 PolarHBondContact O-N 3.32Å; W88-V90 VanDerWaalsContact C-N 3.35Å; V90-L92 VanDerWaalsContact C-N 3.3Å; V90-L92 PolarHBondContact O-N 3.06Å; V90-A93 PolarHBondContact O-N 2.96Å; V90-L94 HydrophobicContact CG1-CD1 3.83Å; V90-L94 HydrophobicContact CG1-CG 4.31Å; V90-L94 WeakPolarHBondContact O-CB 3.36Å; V90-L94 VanDerWaalsContact O-CG 3.29Å; V90-L94 WeakPolarHBondContact O-CG 3.37Å; V90-L94 PolarHBondContact O-N 3.41Å
91V94.2Very high83.5Confident0 Ų051.3 Ų51.30%031%0.305CS..Hα-helixtrans-59.1-44.9175.7176.80000110.5L45 T87 W88 A93 L94 L95 V139 F140L45-V91 HydrophobicContact CD2-CB 4.34Å; L45-V91 HydrophobicContact CD2-CG1 3.74Å; L45-V91 HydrophobicContact CG-CG1 4.41Å; T87-V91 WeakPolarHBondContact O-CG2 3.39Å; T87-V91 PolarHBondContact O-N 2.89Å; W88-V91 PolarHBondContact O-N 3.34Å; V91-A93 PolarHBondContact O-N 3.45Å; V91-L94 PolarHBondContact O-N 3.42Å; V91-L95 HydrophobicContact CG1-CD1 3.8Å; V91-L95 HydrophobicContact CG1-CG 4.38Å; V91-L95 WeakPolarHBondContact O-CB 3.46Å; V91-L95 WeakPolarHBondContact O-CG 3.22Å; V91-L95 PolarHBondContact O-N 2.9Å; V91-V139 HydrophobicContact CG2-CB 4.08Å; V91-V139 HydrophobicContact CG2-CG1 3.66Å; V91-F140 HydrophobicContact CG1-CB 3.88Å; V91-F140 HydrophobicContact CG1-CD2 4.19Å; V91-F140 HydrophobicContact CG1-CG 4.47Å; V91-F140 HydrophobicContact CG2-CB 4.03Å
92L93.8Very high86.1Confident40 Ų4048.1 Ų48.121%0.20927%0.272CS..Hα-helixtrans-61.2-45.3177.9-177.264.2000111.4L24 L45 W46 F72 W88 Q89 V90 S96L24-L92 HydrophobicContact CD2-CD1 3.77Å; L45-L92 HydrophobicContact CB-CB 4.41Å; L45-L92 HydrophobicContact CB-CD1 4.09Å; L45-L92 HydrophobicContact CD2-CB 3.94Å; L45-L92 HydrophobicContact CD2-CD1 3.96Å; W46-L92 HydrophobicContact CB-CD2 4.1Å; F72-L92 HydrophobicContact CE2-CD2 4.04Å; W88-L92 WeakPolarHBondContact O-CB 3.3Å; W88-L92 PolarHBondContact O-N 3.3Å; Q89-L92 PolarHBondContact O-N 3.46Å; V90-L92 VanDerWaalsContact C-N 3.3Å; V90-L92 PolarHBondContact O-N 3.06Å; L92-S96 WeakPolarHBondContact O-CB 3.4Å; L92-S96 PolarHBondContact O-N 2.91Å; L92-S96 PolarHBondContact O-OG 2.89Å
93A94.7Very high88.5Confident59 Ų5945.1 Ų45.149%0.48826%0.261SS..Hα-helixtrans-63.7-40177.400000112.2Q89 V90 V91 S96 G97Q89-A93 WeakPolarHBondContact O-CB 3.49Å; Q89-A93 PolarHBondContact O-N 3.37Å; V90-A93 PolarHBondContact O-N 2.96Å; V91-A93 PolarHBondContact O-N 3.45Å; A93-S96 PolarHBondContact O-OG 3.39Å; A93-G97 WeakPolarHBondContact O-CA 3.17Å; A93-G97 PolarHBondContact O-N 2.93Å
94L96.2Very high90.7Very high48 Ų4844.9 Ų44.925%0.25125%0.254SS..Hα-helixtrans-67.8-44.9178.1-74171.2000112.3V90 V91 G98 A135 V139V90-L94 HydrophobicContact CG1-CD1 3.83Å; V90-L94 HydrophobicContact CG1-CG 4.31Å; V90-L94 WeakPolarHBondContact O-CB 3.36Å; V90-L94 VanDerWaalsContact O-CG 3.29Å; V90-L94 WeakPolarHBondContact O-CG 3.37Å; V90-L94 PolarHBondContact O-N 3.41Å; V91-L94 PolarHBondContact O-N 3.42Å; L94-G98 PolarHBondContact O-N 3.16Å; L94-A135 HydrophobicContact CD1-CB 4.21Å; L94-V139 HydrophobicContact CD1-CG2 4.49Å
95L95.7Very high92.4Very high3 Ų344.2 Ų44.22%0.01625%0.25CS..Hα-helixtrans-72.4-44.1-179.9-70.9172.9000112.5L24 W29 L45 V91 G99 I137L24-L95 HydrophobicContact CD2-CB 3.9Å; L24-L95 HydrophobicContact CD2-CD1 4.31Å; W29-L95 HydrophobicContact CH2-CD1 3.31Å; W29-L95 HydrophobicContact CZ2-CD1 3.77Å; W29-L95 HydrophobicContact CZ3-CD1 4.23Å; L45-L95 HydrophobicContact CD2-CD1 3.94Å; V91-L95 HydrophobicContact CG1-CD1 3.8Å; V91-L95 HydrophobicContact CG1-CG 4.38Å; V91-L95 WeakPolarHBondContact O-CB 3.46Å; V91-L95 WeakPolarHBondContact O-CG 3.22Å; V91-L95 PolarHBondContact O-N 2.9Å; L95-G99 PolarHBondContact O-N 3.05Å; L95-I137 HydrophobicContact CD2-CG1 4.39Å
96S95.4Very high93.5Very high44 Ų4443.3 Ų43.331%0.30824%0.241SC..Hα-helixtrans-66.7-43.3175.660.90000111.2L92 A93 G99 L100L92-S96 WeakPolarHBondContact O-CB 3.4Å; L92-S96 PolarHBondContact O-N 2.91Å; L92-S96 PolarHBondContact O-OG 2.89Å; A93-S96 PolarHBondContact O-OG 3.39Å; S96-G99 PolarHBondContact O-N 3Å; S96-L100 VanDerWaalsContact O-CG 3.31Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 3.31Å
97G95.4Very high93.9Very high18 Ų1844.9 Ų44.919%0.18625%0.248CC..Hα-helixtrans-59.7-47.3174.200000112.3A93 G99 L100 F101A93-G97 WeakPolarHBondContact O-CA 3.17Å; A93-G97 PolarHBondContact O-N 2.93Å; G97-G99 PolarHBondContact O-N 3.26Å; G97-L100 PolarHBondContact O-N 2.97Å; G97-F101 WeakPolarHBondContact O-CD2 3.35Å; G97-F101 PolarHBondContact O-N 3.49Å
98G96.5Very high94.1Very high0 Ų044.6 Ų44.60%025%0.246CC..Hα-helixtrans-60.6-42.5174.600000112.8L94 F101 S102 A129L94-G98 PolarHBondContact O-N 3.16Å; G98-F101 PolarHBondContact O-N 2.98Å; G98-S102 WeakPolarHBondContact O-CB 3.33Å; G98-S102 PolarHBondContact O-N 3.21Å; G98-A129 WeakPolarHBondContact O-CB 3.34Å
99G95.7Very high94.2Very high10 Ų1044.2 Ų44.210%0.10325%0.245CC..Hα-helixtrans-59.5-44.6172.500000112.9L95 S96 G97 S102 V103L95-G99 PolarHBondContact O-N 3.05Å; S96-G99 PolarHBondContact O-N 3Å; G97-G99 PolarHBondContact O-N 3.26Å; G99-S102 WeakPolarHBondContact O-CB 3.43Å; G99-S102 PolarHBondContact O-N 3.36Å; G99-V103 WeakPolarHBondContact O-CG2 3.43Å; G99-V103 PolarHBondContact O-N 2.88Å
100L95.8Very high94.1Very high111 Ų11147.8 Ų47.858%0.58126%0.257SS*.Hα-helixtrans-63.7-45176.6-72.5173.3000112S96 G97 S102 V103 I104S96-L100 VanDerWaalsContact O-CG 3.31Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 3.31Å; G97-L100 PolarHBondContact O-N 2.97Å; L100-S102 PolarHBondContact O-N 2.95Å; L100-V103 PolarHBondContact O-N 3.46Å; L100-V103 VanDerWaalsContact O-N 3.14Å; L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.28Å; L100-I104 PolarHBondContact O-N 3.26Å
101F96.3Very high93.8Very high85 Ų8547.1 Ų47.137%0.37326%0.255SS..Hα-helixtrans-59.8-36.8173.7-79-64.1000111.7G97 G98 G105 F128 A129G97-F101 WeakPolarHBondContact O-CD2 3.35Å; G97-F101 PolarHBondContact O-N 3.49Å; G98-F101 PolarHBondContact O-N 2.98Å; F101-G105 PolarHBondContact O-N 3.26Å; F101-F128 HydrophobicContact CD1-CB 4.31Å; F101-F128 HydrophobicContact CD2-CB 4.17Å; F101-F128 HydrophobicContact CG-CB 4.09Å; F101-A129 HydrophobicContact CB-CB 4.12Å
102S95.4Very high93Very high0 Ų054.6 Ų54.60%029%0.293CS..Hα-helixtrans-66-42.8174-160.50000111.9Q13 I17 G98 G99 L100 G105 L106Q13-S102 VanDerWaalsContact CG-OG 3.28Å; Q13-S102 WeakPolarHBondContact CG-OG 3.35Å; Q13-S102 PolarHBondContact NE2-O 3.27Å; Q13-S102 PolarHBondContact NE2-OG 2.89Å; I17-S102 WeakPolarHBondContact CG1-OG 3.5Å; G98-S102 WeakPolarHBondContact O-CB 3.33Å; G98-S102 PolarHBondContact O-N 3.21Å; G99-S102 WeakPolarHBondContact O-CB 3.43Å; G99-S102 PolarHBondContact O-N 3.36Å; L100-S102 PolarHBondContact O-N 2.95Å; S102-G105 PolarHBondContact O-N 3.32Å; S102-L106 PolarHBondContact O-N 3.47Å
103V96Very high92.4Very high51 Ų5158.1 Ų58.131%0.30932%0.32SS..Hα-helixtrans-62.7-45.5175.3172.90000111.3I17 G99 L100 G105 L106 F107I17-V103 HydrophobicContact CD1-CG2 3.97Å; I17-V103 HydrophobicContact CG1-CG2 4.31Å; I17-V103 HydrophobicContact CG2-CG2 3.94Å; G99-V103 WeakPolarHBondContact O-CG2 3.43Å; G99-V103 PolarHBondContact O-N 2.88Å; L100-V103 PolarHBondContact O-N 3.46Å; L100-V103 VanDerWaalsContact O-N 3.14Å; V103-G105 VanDerWaalsContact C-N 3.31Å; V103-G105 PolarHBondContact O-N 3.24Å; V103-L106 WeakPolarHBondContact O-CB 3.41Å; V103-L106 PolarHBondContact O-N 2.76Å; V103-F107 HydrophobicContact CG1-CD2 4.03Å; V103-F107 HydrophobicContact CG1-CE2 3.61Å; V103-F107 WeakPolarHBondContact O-CD2 3.28Å; V103-F107 PolarHBondContact O-N 3.32Å
104I95.1Very high91.9Very high87 Ų8758.5 Ų58.545%0.44632%0.318SS..Hα-helixtrans-59.9-44.3175.8-65.7165.4000110.2L100 L106 F107 V108 T125L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.28Å; L100-I104 PolarHBondContact O-N 3.26Å; I104-L106 VanDerWaalsContact C-N 3.31Å; I104-L106 PolarHBondContact O-N 2.89Å; I104-F107 PolarHBondContact O-N 2.85Å; I104-V108 HydrophobicContact CG2-CG2 4.17Å; I104-V108 WeakPolarHBondContact O-CB 3.42Å; I104-V108 VanDerWaalsContact O-CG2 3.28Å; I104-V108 WeakPolarHBondContact O-CG2 3.46Å; I104-V108 PolarHBondContact O-N 3.47Å; I104-T125 HydrophobicContact CG2-CG2 4.24Å
105G94.2Very high91.3Very high0 Ų059.6 Ų59.60%033%0.328CS..Hα-helixtrans-58.9-38.7177.300000113.4F101 S102 V103 V108 S109 T125F101-G105 PolarHBondContact O-N 3.26Å; S102-G105 PolarHBondContact O-N 3.32Å; V103-G105 VanDerWaalsContact C-N 3.31Å; V103-G105 PolarHBondContact O-N 3.24Å; G105-V108 PolarHBondContact O-N 3.36Å; G105-S109 WeakPolarHBondContact O-CB 3.29Å; G105-S109 PolarHBondContact O-N 2.98Å; G105-T125 WeakPolarHBondContact CA-OG1 3.4Å
106L93.4Very high91Very high31 Ų3163.5 Ų63.516%0.16234%0.343CS..Hα-helixtrans-59.1-51.8174-81.7-176.7000111.5T10 Q13 I17 S102 V103 I104 V108 S109 Y110T10-L106 HydrophobicContact CG2-CD2 4.21Å; Q13-L106 HydrophobicContact CB-CD2 3.74Å; Q13-L106 HydrophobicContact CB-CG 4.35Å; Q13-L106 VanDerWaalsContact CD-CD2 3.48Å; Q13-L106 HydrophobicContact CG-CD1 4.43Å; Q13-L106 HydrophobicContact CG-CD2 3.6Å; Q13-L106 HydrophobicContact CG-CG 3.71Å; I17-L106 HydrophobicContact CD1-CD1 3.27Å; I17-L106 HydrophobicContact CD1-CG 3.86Å; S102-L106 PolarHBondContact O-N 3.47Å; V103-L106 WeakPolarHBondContact O-CB 3.41Å; V103-L106 PolarHBondContact O-N 2.76Å; I104-L106 VanDerWaalsContact C-N 3.31Å; I104-L106 PolarHBondContact O-N 2.89Å; L106-V108 VanDerWaalsContact C-N 3.33Å; L106-V108 PolarHBondContact O-N 2.93Å; L106-S109 WeakPolarHBondContact O-CB 3.22Å; L106-S109 PolarHBondContact O-N 3.26Å; L106-Y110 WeakPolarHBondContact O-CD2 3.43Å
107F92.3Very high90.7Very high159 Ų15965.6 Ų65.670%0.69735%0.353SS*.Hα-helixtrans-63.1-40.3-179.4-71.7-68.1000112.2V103 I104 S109 Y110V103-F107 HydrophobicContact CG1-CD2 4.03Å; V103-F107 HydrophobicContact CG1-CE2 3.61Å; V103-F107 WeakPolarHBondContact O-CD2 3.28Å; V103-F107 PolarHBondContact O-N 3.32Å; I104-F107 PolarHBondContact O-N 2.85Å; F107-S109 VanDerWaalsContact C-N 3.31Å; F107-S109 PolarHBondContact O-N 2.93Å; F107-Y110 PolarHBondContact O-N 3.44Å
108V90.6Very high90.6Very high39 Ų3965 Ų6524%0.23635%0.347CS..Hα-helixtrans-63.9-35.5177.8169.50000112I104 G105 L106 Y110 C111 S118 C121I104-V108 HydrophobicContact CG2-CG2 4.17Å; I104-V108 WeakPolarHBondContact O-CB 3.42Å; I104-V108 VanDerWaalsContact O-CG2 3.28Å; I104-V108 WeakPolarHBondContact O-CG2 3.46Å; I104-V108 PolarHBondContact O-N 3.47Å; G105-V108 PolarHBondContact O-N 3.36Å; L106-V108 VanDerWaalsContact C-N 3.33Å; L106-V108 PolarHBondContact O-N 2.93Å; V108-Y110 VanDerWaalsContact C-N 3.26Å; V108-Y110 PolarHBondContact O-N 2.86Å; V108-C111 WeakPolarHBondContact O-CB 3.4Å; V108-C111 PolarHBondContact O-N 3.19Å; V108-S118 PolarHBondContact O-OG 2.89Å; V108-C121 HydrophobicContact CG1-CB 3.42Å; V108-C121 VanDerWaalsContact CG1-CB 3.42Å
109S89.6Confident90.4Very high2 Ų265 Ų651%0.01435%0.347CS..Hα-helixtrans-61.3-32.7178.2-173.60000112.9Q6 G105 L106 F107 S118Q6-S109 PolarHBondContact NE2-O 3.39Å; Q6-S109 PolarHBondContact NE2-OG 2.9Å; G105-S109 WeakPolarHBondContact O-CB 3.29Å; G105-S109 PolarHBondContact O-N 2.98Å; L106-S109 WeakPolarHBondContact O-CB 3.22Å; L106-S109 PolarHBondContact O-N 3.26Å; F107-S109 VanDerWaalsContact C-N 3.31Å; F107-S109 PolarHBondContact O-N 2.93Å; S109-S118 PolarHBondContact O-OG 2.94Å
110Y88.1Confident90.3Very high141 Ų14168 Ų6855%0.55336%0.359SS*.THydrogen-bonded Turntrans-88.44.8179.3-73.1-79.4000114.3T10 L106 F107 V108 I112T10-Y110 HydrophobicContact CG2-CE2 3.9Å; T10-Y110 PolarHBondContact OG1-OH 3.04Å; L106-Y110 WeakPolarHBondContact O-CD2 3.43Å; F107-Y110 PolarHBondContact O-N 3.44Å; V108-Y110 VanDerWaalsContact C-N 3.26Å; V108-Y110 PolarHBondContact O-N 2.86Å; Y110-I112 PolarHBondContact O-N 3.43Å; Y110-I112 VanDerWaalsContact O-N 3.09Å
111C86.1Confident90.2Very high62 Ų6265 Ų6542%0.41935%0.347SS..  trans-69.3107.8177.2-173.30000111.7V108V108-C111 WeakPolarHBondContact O-CB 3.4Å; V108-C111 PolarHBondContact O-N 3.19Å
112I77.6Confident90.2Very high157 Ų15761 Ų6181%0.80533%0.329SS*.  trans-71.3-30.9-176.1-62173.7000112.4Y110 C114Y110-I112 PolarHBondContact O-N 3.43Å; Y110-I112 VanDerWaalsContact O-N 3.09Å; I112-C114 VanDerWaalsContact C-N 3.29Å; I112-C114 PolarHBondContact O-N 2.89Å; I112-C114 VanDerWaalsContact O-N 3.16Å
113C80.7Confident90.2Very high114 Ų11462.3 Ų62.377%0.7734%0.338SS*.SBendtrans-58.5-37.1-167.2-57.20000113.6
114C83.1Confident90.3Very high67 Ų6763.7 Ų63.745%0.45334%0.342SS..  trans-145.987.2-175.9-72.60000111.2I112 R116 V117 S118I112-C114 VanDerWaalsContact C-N 3.29Å; I112-C114 PolarHBondContact O-N 2.89Å; I112-C114 VanDerWaalsContact O-N 3.16Å; C114-R116 PolarHBondContact O-N 3.48Å; C114-V117 HydrophobicContact CB-CB 3.98Å; C114-V117 HydrophobicContact CB-CG2 4.06Å; C114-V117 PolarHBondContact O-N 3.33Å; C114-V117 VanDerWaalsContact O-N 3.17Å; C114-S118 WeakPolarHBondContact O-CB 3.29Å; C114-S118 PolarHBondContact O-N 3.3Å
115P85.3Confident90.3Very high70 Ų7060.3 Ų60.346%0.45533%0.326SS..Hα-helixtrans-60.1-25.9-17521.3-33000113.9S119P115-S119 VanDerWaalsContact O-CB 3.25Å; P115-S119 WeakPolarHBondContact O-CB 3.43Å; P115-S119 PolarHBondContact O-N 3.49Å; P115-S119 PolarHBondContact O-OG 2.93Å
116R87.7Confident90.4Very high86 Ų8660.4 Ų60.433%0.32533%0.326SS..Hα-helixtrans-71.1-52.7174.6-69.4-165.5-166.511441.5113C114 S118 S119 I120 V191 F192 R195C114-R116 PolarHBondContact O-N 3.48Å; R116-S118 VanDerWaalsContact C-N 3.28Å; R116-S118 PolarHBondContact O-N 2.93Å; R116-S119 PolarHBondContact O-N 3.27Å; R116-S119 VanDerWaalsContact O-N 3.17Å; R116-S119 PolarHBondContact O-OG 3.43Å; R116-I120 PolarHBondContact O-N 2.99Å; R116-V191 HydrophobicContact CG-CG1 3.9Å; R116-F192 HydrophobicContact CB-CZ 4.39Å; R116-F192 HydrophobicContact CG-CZ 4.44Å; R116-R195 VanDerWaalsContact NH1-CZ 3.26Å; R116-R195 VanDerWaalsContact NH2-CG 3.3Å; R116-R195 VanDerWaalsContact NH2-CZ 3.31Å
117V90.9Very high90.6Very high87 Ų8760.8 Ų60.853%0.52733%0.33SS..Hα-helixtrans-63.6-43-179.5-178.40000108.9C114 S119 I120 C121C114-V117 HydrophobicContact CB-CB 3.98Å; C114-V117 HydrophobicContact CB-CG2 4.06Å; C114-V117 PolarHBondContact O-N 3.33Å; C114-V117 VanDerWaalsContact O-N 3.17Å; V117-S119 PolarHBondContact O-N 2.9Å; V117-I120 PolarHBondContact O-N 3.33Å; V117-C121 WeakPolarHBondContact O-CB 3.36Å; V117-C121 PolarHBondContact O-N 3Å; V117-C121 PolarHBondContact O-SG 2.9Å
118S92.1Very high90.7Very high7 Ų758.8 Ų58.85%0.04932%0.321CS..Hα-helixtrans-55.6-47.9171.6169.50000111.9V108 S109 C114 R116 I120 C121 W122V108-S118 PolarHBondContact O-OG 2.89Å; S109-S118 PolarHBondContact O-OG 2.94Å; C114-S118 WeakPolarHBondContact O-CB 3.29Å; C114-S118 PolarHBondContact O-N 3.3Å; R116-S118 VanDerWaalsContact C-N 3.28Å; R116-S118 PolarHBondContact O-N 2.93Å; S118-I120 PolarHBondContact O-N 3.35Å; S118-C121 PolarHBondContact O-N 2.86Å; S118-W122 VanDerWaalsContact O-CB 3.28Å; S118-W122 WeakPolarHBondContact O-CB 3.44Å; S118-W122 PolarHBondContact O-N 2.89Å
119S92.8Very high91Very high0 Ų056.9 Ų56.90%031%0.31CS..Hα-helixtrans-61.6-41.5179.170.90000113.3P115 R116 V117 W122 V123P115-S119 VanDerWaalsContact O-CB 3.25Å; P115-S119 WeakPolarHBondContact O-CB 3.43Å; P115-S119 PolarHBondContact O-N 3.49Å; P115-S119 PolarHBondContact O-OG 2.93Å; R116-S119 PolarHBondContact O-N 3.27Å; R116-S119 VanDerWaalsContact O-N 3.17Å; R116-S119 PolarHBondContact O-OG 3.43Å; V117-S119 PolarHBondContact O-N 2.9Å; S119-W122 PolarHBondContact O-N 2.63Å; S119-V123 WeakPolarHBondContact O-CG2 3.32Å; S119-V123 PolarHBondContact O-N 3.26Å; S119-V123 VanDerWaalsContact O-N 3.14Å
120I93.6Very high91.3Very high72 Ų7256.9 Ų56.937%0.36931%0.31SS..Hα-helixtrans-67.7-48.7178.4-68.2164.2000110R116 V117 S118 W122 V123 I124 F192R116-I120 PolarHBondContact O-N 2.99Å; V117-I120 PolarHBondContact O-N 3.33Å; S118-I120 PolarHBondContact O-N 3.35Å; I120-W122 VanDerWaalsContact C-N 3.25Å; I120-W122 PolarHBondContact O-N 2.89Å; I120-V123 PolarHBondContact O-N 3.43Å; I120-I124 HydrophobicContact CG2-CD1 3.67Å; I120-I124 HydrophobicContact CG2-CG1 4.31Å; I120-I124 WeakPolarHBondContact O-CG1 3.39Å; I120-I124 PolarHBondContact O-N 3.35Å; I120-F192 HydrophobicContact CD1-CE2 4.22Å; I120-F192 HydrophobicContact CD1-CZ 3.77Å; I120-F192 HydrophobicContact CG1-CE2 4.12Å; I120-F192 HydrophobicContact CG1-CZ 4.19Å
121C94.3Very high91.7Very high48 Ų4857.2 Ų57.232%0.32432%0.315SS..Hα-helixtrans-62.7-34179-65.70000111.9V108 V117 S118 I124 T125V108-C121 HydrophobicContact CG1-CB 3.42Å; V108-C121 VanDerWaalsContact CG1-CB 3.42Å; V117-C121 WeakPolarHBondContact O-CB 3.36Å; V117-C121 PolarHBondContact O-N 3Å; V117-C121 PolarHBondContact O-SG 2.9Å; S118-C121 PolarHBondContact O-N 2.86Å; C121-I124 PolarHBondContact O-N 2.84Å; C121-T125 WeakPolarHBondContact O-CB 3.22Å; C121-T125 WeakPolarHBondContact O-CG2 3.45Å; C121-T125 PolarHBondContact O-N 3.45Å; C121-T125 PolarHBondContact O-OG1 3Å
122W95.8Very high92.2Very high0 Ų055.1 Ų55.10%030%0.302CS..Hα-helixtrans-65.8-41.8175.2-170.335.1000112.3Q6 T10 S118 S119 I120 T125 N126 Y187Q6-W122 HydrophobicContact CG-CH2 4.36Å; Q6-W122 HydrophobicContact CG-CZ3 4.33Å; T10-W122 HydrophobicContact CG2-CH2 4.29Å; T10-W122 HydrophobicContact CG2-CZ2 3.85Å; S118-W122 VanDerWaalsContact O-CB 3.28Å; S118-W122 WeakPolarHBondContact O-CB 3.44Å; S118-W122 PolarHBondContact O-N 2.89Å; S119-W122 PolarHBondContact O-N 2.63Å; I120-W122 VanDerWaalsContact C-N 3.25Å; I120-W122 PolarHBondContact O-N 2.89Å; W122-T125 WeakPolarHBondContact CA-OG1 3.49Å; W122-T125 PolarHBondContact O-OG1 3.42Å; W122-T125 VanDerWaalsContact O-OG1 3.05Å; W122-N126 VanDerWaalsContact CD1-ND2 3.3Å; W122-N126 PolarHBondContact NE1-ND2 3.35Å; W122-N126 WeakPolarHBondContact O-CB 3.44Å; W122-N126 PolarHBondContact O-N 3.31Å; W122-N126 PolarHBondContact O-ND2 2.86Å; W122-Y187 AromaticContact CE3-CD1 3.75Å; W122-Y187 HydrophobicContact CE3-CD1 3.75Å; W122-Y187 HydrophobicContact CE3-CE1 4.34Å; W122-Y187 HydrophobicContact CE3-CG 4.35Å; W122-Y187 AromaticContact CZ3-CD1 3.8Å; W122-Y187 HydrophobicContact CZ3-CD1 3.8Å; W122-Y187 AromaticContact CZ3-CG 3.94Å; W122-Y187 HydrophobicContact CZ3-CG 3.94Å
123V96.2Very high93.1Very high29 Ų2947.7 Ų47.718%0.17626%0.264CS..Hα-helixtrans-64-46.9173.8173.90000110.8S119 I120 T125 N126 T127 L181 S184 I185S119-V123 WeakPolarHBondContact O-CG2 3.32Å; S119-V123 PolarHBondContact O-N 3.26Å; S119-V123 VanDerWaalsContact O-N 3.14Å; I120-V123 PolarHBondContact O-N 3.43Å; V123-T125 PolarHBondContact O-N 3.04Å; V123-N126 PolarHBondContact O-N 2.88Å; V123-T127 WeakPolarHBondContact O-CB 3.4Å; V123-T127 PolarHBondContact O-N 3.03Å; V123-T127 PolarHBondContact O-OG1 2.87Å; V123-L181 HydrophobicContact CG1-CD1 4.43Å; V123-S184 WeakPolarHBondContact CG2-O 3.19Å; V123-I185 HydrophobicContact CG1-CG1 4.15Å; V123-I185 HydrophobicContact CG2-CG1 4.49Å
124I96.1Very high93.9Very high79 Ų7943.5 Ų43.541%0.40524%0.237SC..Hα-helixtrans-59.6-50.1-179.3-68.1169.9000110.5I120 C121 T127 F128I120-I124 HydrophobicContact CG2-CD1 3.67Å; I120-I124 HydrophobicContact CG2-CG1 4.31Å; I120-I124 WeakPolarHBondContact O-CG1 3.39Å; I120-I124 PolarHBondContact O-N 3.35Å; C121-I124 PolarHBondContact O-N 2.84Å; I124-T127 WeakPolarHBondContact O-CB 3.33Å; I124-T127 PolarHBondContact O-N 3.44Å; I124-F128 HydrophobicContact CG2-CD2 3.81Å; I124-F128 HydrophobicContact CG2-CE2 3.62Å; I124-F128 WeakPolarHBondContact O-CD2 3.48Å; I124-F128 PolarHBondContact O-N 3.36Å
125T95.9Very high94.6Very high17 Ų1742.1 Ų42.110%0.10423%0.23CC..Hα-helixtrans-63-43.4-179.747.50000112.5I104 G105 C121 W122 V123 T127 F128 A129I104-T125 HydrophobicContact CG2-CG2 4.24Å; G105-T125 WeakPolarHBondContact CA-OG1 3.4Å; C121-T125 WeakPolarHBondContact O-CB 3.22Å; C121-T125 WeakPolarHBondContact O-CG2 3.45Å; C121-T125 PolarHBondContact O-N 3.45Å; C121-T125 PolarHBondContact O-OG1 3Å; W122-T125 WeakPolarHBondContact CA-OG1 3.49Å; W122-T125 PolarHBondContact O-OG1 3.42Å; W122-T125 VanDerWaalsContact O-OG1 3.05Å; V123-T125 PolarHBondContact O-N 3.04Å; T125-T127 VanDerWaalsContact C-N 3.29Å; T125-T127 PolarHBondContact O-N 3.4Å; T125-F128 PolarHBondContact O-N 2.89Å; T125-A129 WeakPolarHBondContact O-CB 3.37Å; T125-A129 PolarHBondContact O-N 3.09Å
126N96.1Very high95.1Very high1 Ų138.8 Ų38.81%0.00521%0.209CC..Hα-helixtrans-65.9-31174.4-79.7-33.1000113.1Q13 W122 V123 A129 A130 L181Q13-N126 PolarHBondContact NE2-OD1 3.21Å; Q13-N126 VanDerWaalsContact NE2-OD1 3.07Å; W122-N126 VanDerWaalsContact CD1-ND2 3.3Å; W122-N126 PolarHBondContact NE1-ND2 3.35Å; W122-N126 WeakPolarHBondContact O-CB 3.44Å; W122-N126 PolarHBondContact O-N 3.31Å; W122-N126 PolarHBondContact O-ND2 2.86Å; V123-N126 PolarHBondContact O-N 2.88Å; N126-A129 PolarHBondContact O-N 3.07Å; N126-A130 WeakPolarHBondContact O-CB 3.18Å; N126-A130 PolarHBondContact O-N 3.42Å; N126-L181 HydrophobicContact CB-CB 4.39Å; N126-L181 HydrophobicContact CB-CD1 4.02Å
127T97Very high95.5Very high40 Ų4035.6 Ų35.625%0.24520%0.198CC..Hα-helixtrans-64.9-50.5175.6-58.60000109.7V123 I124 T125 A129 A130 F131 L181V123-T127 WeakPolarHBondContact O-CB 3.4Å; V123-T127 PolarHBondContact O-N 3.03Å; V123-T127 PolarHBondContact O-OG1 2.87Å; I124-T127 WeakPolarHBondContact O-CB 3.33Å; I124-T127 PolarHBondContact O-N 3.44Å; T125-T127 VanDerWaalsContact C-N 3.29Å; T125-T127 PolarHBondContact O-N 3.4Å; T127-A129 VanDerWaalsContact C-N 3.33Å; T127-A129 PolarHBondContact O-N 2.83Å; T127-A130 PolarHBondContact O-N 3.18Å; T127-F131 HydrophobicContact CG2-CD2 3.58Å; T127-F131 HydrophobicContact CG2-CE2 3.43Å; T127-F131 VanDerWaalsContact CG2-CE2 3.43Å; T127-F131 WeakPolarHBondContact O-CD2 3.39Å; T127-F131 PolarHBondContact O-N 3.37Å; T127-L181 WeakPolarHBondContact OG1-CD1 3.42Å
128F96.5Very high95.8Very high116 Ų11636.4 Ų36.451%0.50920%0.198SC..Hα-helixtrans-61-40.4174.8-77.4-70.3000112.6F101 I124 T125 A132F101-F128 HydrophobicContact CD1-CB 4.31Å; F101-F128 HydrophobicContact CD2-CB 4.17Å; F101-F128 HydrophobicContact CG-CB 4.09Å; I124-F128 HydrophobicContact CG2-CD2 3.81Å; I124-F128 HydrophobicContact CG2-CE2 3.62Å; I124-F128 WeakPolarHBondContact O-CD2 3.48Å; I124-F128 PolarHBondContact O-N 3.36Å; T125-F128 PolarHBondContact O-N 2.89Å; F128-A132 WeakPolarHBondContact O-CB 3.37Å; F128-A132 PolarHBondContact O-N 3.43Å
129A96.6Very high95.9Very high0 Ų038.4 Ų38.40%021%0.21CC..Hα-helixtrans-59.7-52.8175.600000111.7G98 F101 T125 N126 T127 F131 A132 S133 Q177G98-A129 WeakPolarHBondContact O-CB 3.34Å; F101-A129 HydrophobicContact CB-CB 4.12Å; T125-A129 WeakPolarHBondContact O-CB 3.37Å; T125-A129 PolarHBondContact O-N 3.09Å; N126-A129 PolarHBondContact O-N 3.07Å; T127-A129 VanDerWaalsContact C-N 3.33Å; T127-A129 PolarHBondContact O-N 2.83Å; A129-F131 PolarHBondContact O-N 2.89Å; A129-A132 PolarHBondContact O-N 3.45Å; A129-S133 WeakPolarHBondContact O-CB 3.15Å; A129-S133 PolarHBondContact O-N 3.4Å; A129-S133 PolarHBondContact O-OG 2.65Å; A129-Q177 PolarHBondContact O-OE1 2.87Å
130A96Very high96Very high2 Ų238.5 Ų38.52%0.01721%0.211CC..Hα-helixtrans-61.6-43.6-17900000112.2N126 T127 A134 M178 L181N126-A130 WeakPolarHBondContact O-CB 3.18Å; N126-A130 PolarHBondContact O-N 3.42Å; T127-A130 PolarHBondContact O-N 3.18Å; A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 3.05Å; A130-M178 HydrophobicContact CB-CE 4.19Å; A130-L181 HydrophobicContact CB-CD2 4.25Å
131F96.5Very high96Very high148 Ų14839.8 Ų39.865%0.64921%0.214SC*.Hα-helixtrans-66.5-44177.3-80.4-64.3000112.5T127 A129 A135T127-F131 HydrophobicContact CG2-CD2 3.58Å; T127-F131 HydrophobicContact CG2-CE2 3.43Å; T127-F131 VanDerWaalsContact CG2-CE2 3.43Å; T127-F131 WeakPolarHBondContact O-CD2 3.39Å; T127-F131 PolarHBondContact O-N 3.37Å; A129-F131 PolarHBondContact O-N 2.89Å; F131-A135 VanDerWaalsContact O-CB 3.22Å; F131-A135 WeakPolarHBondContact O-CB 3.34Å; F131-A135 PolarHBondContact O-N 3.23Å
132A96.8Very high96Very high18 Ų1846.6 Ų46.615%0.14923%0.233CC..Hα-helixtrans-65.4-43.9179.200000111.6F128 A129 A135 G136F128-A132 WeakPolarHBondContact O-CB 3.37Å; F128-A132 PolarHBondContact O-N 3.43Å; A129-A132 PolarHBondContact O-N 3.45Å; A132-A135 PolarHBondContact O-N 2.83Å; A132-G136 PolarHBondContact O-N 3.27Å
133S96.3Very high95.7Very high1 Ų146.8 Ų46.81%0.00723%0.234CC..Hα-helixtrans-67.2-41.8177.3-700000112.5A129 G136 I137 Q177A129-S133 WeakPolarHBondContact O-CB 3.15Å; A129-S133 PolarHBondContact O-N 3.4Å; A129-S133 PolarHBondContact O-OG 2.65Å; S133-G136 PolarHBondContact O-N 3.41Å; S133-I137 WeakPolarHBondContact O-CD1 3.44Å; S133-I137 WeakPolarHBondContact O-CG1 3.37Å; S133-I137 PolarHBondContact O-N 3.04Å; S133-Q177 VanDerWaalsContact CB-OE1 3.23Å; S133-Q177 PolarHBondContact OG-NE2 2.93Å; S133-Q177 PolarHBondContact OG-OE1 3.38Å
134A97.2Very high95.5Very high25 Ų2545.8 Ų45.821%0.20723%0.228CC..Hα-helixtrans-62.4-46.3174.300000111.7A130 G136 I137 I138A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 3.05Å; A134-G136 VanDerWaalsContact C-N 3.34Å; A134-G136 PolarHBondContact O-N 2.91Å; A134-I137 PolarHBondContact O-N 3.4Å; A134-I138 WeakPolarHBondContact O-CB 3.11Å; A134-I138 WeakPolarHBondContact O-CD1 3.38Å; A134-I138 WeakPolarHBondContact O-CG1 3.31Å; A134-I138 PolarHBondContact O-N 3.47Å
135A97.1Very high95.2Very high38 Ų3847.2 Ų47.231%0.31423%0.233SC..Hα-helixtrans-60.6-43.2176.400000111.7L94 F131 A132 I137 I138 V139L94-A135 HydrophobicContact CD1-CB 4.21Å; F131-A135 VanDerWaalsContact O-CB 3.22Å; F131-A135 WeakPolarHBondContact O-CB 3.34Å; F131-A135 PolarHBondContact O-N 3.23Å; A132-A135 PolarHBondContact O-N 2.83Å; A135-I137 PolarHBondContact O-N 3.31Å; A135-I138 PolarHBondContact O-N 3.41Å; A135-V139 WeakPolarHBondContact O-CB 3.48Å; A135-V139 VanDerWaalsContact O-CG2 3.25Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 3.13Å
136G96.3Very high94.9Very high0 Ų051.7 Ų51.70%025%0.252CS..Hα-helixtrans-58.1-46.8176.700000112.6A132 S133 A134 F140A132-G136 PolarHBondContact O-N 3.27Å; S133-G136 PolarHBondContact O-N 3.41Å; A134-G136 VanDerWaalsContact C-N 3.34Å; A134-G136 PolarHBondContact O-N 2.91Å; G136-F140 WeakPolarHBondContact O-CB 3.37Å; G136-F140 PolarHBondContact O-N 3.42Å
137I96.6Very high94.3Very high20 Ų2057.7 Ų57.710%0.10328%0.284CS..Hα-helixtrans-64.4-44177.3-67.6161.8000111.3L95 S133 A134 A135 F140 F141 F167 A170 V171 C174L95-I137 HydrophobicContact CD2-CG1 4.39Å; S133-I137 WeakPolarHBondContact O-CD1 3.44Å; S133-I137 WeakPolarHBondContact O-CG1 3.37Å; S133-I137 PolarHBondContact O-N 3.04Å; A134-I137 PolarHBondContact O-N 3.4Å; A135-I137 PolarHBondContact O-N 3.31Å; I137-F140 PolarHBondContact O-N 2.98Å; I137-F141 WeakPolarHBondContact O-CB 3.28Å; I137-F141 PolarHBondContact O-N 2.68Å; I137-F167 HydrophobicContact CG2-CE2 3.99Å; I137-F167 HydrophobicContact CG2-CZ 4.41Å; I137-A170 WeakPolarHBondContact CD1-O 3.36Å; I137-A170 HydrophobicContact CG1-CB 4.38Å; I137-V171 HydrophobicContact CD1-CG2 4.41Å; I137-V171 HydrophobicContact CG2-CG2 3.9Å; I137-C174 HydrophobicContact CD1-CB 3.34Å
138I96.5Very high93.7Very high103 Ų10363.8 Ų63.853%0.52830%0.302SS..Hα-helixtrans-63.5-46-179.7-68.8164.8000110.8A134 A135 F141 R142A134-I138 WeakPolarHBondContact O-CB 3.11Å; A134-I138 WeakPolarHBondContact O-CD1 3.38Å; A134-I138 WeakPolarHBondContact O-CG1 3.31Å; A134-I138 PolarHBondContact O-N 3.47Å; A135-I138 PolarHBondContact O-N 3.41Å; I138-F141 PolarHBondContact O-N 3.46Å; I138-R142 WeakPolarHBondContact O-CG 3.48Å; I138-R142 PolarHBondContact O-N 3.26Å
139V94.7Very high93.1Very high50 Ų5058.9 Ų58.930%0.30328%0.282SS..Hα-helixtrans-62.6-44.7177.6173.10000110.4T87 V91 L94 A135 F141 R142 S143T87-V139 HydrophobicContact CG2-CG1 3.96Å; V91-V139 HydrophobicContact CG2-CB 4.08Å; V91-V139 HydrophobicContact CG2-CG1 3.66Å; L94-V139 HydrophobicContact CD1-CG2 4.49Å; A135-V139 WeakPolarHBondContact O-CB 3.48Å; A135-V139 VanDerWaalsContact O-CG2 3.25Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 3.13Å; V139-F141 PolarHBondContact O-N 2.87Å; V139-R142 PolarHBondContact O-N 3.22Å; V139-S143 VanDerWaalsContact O-CB 3.29Å; V139-S143 WeakPolarHBondContact O-CB 3.33Å; V139-S143 PolarHBondContact O-N 3.47Å
140F94.1Very high92.6Very high2 Ų263.6 Ų63.61%0.00930%0.3CS..Hα-helixtrans-59.8-47176-179.2-88.9000111.7W29 Q30 W88 V91 G136 I137 R142 S143 S144 L163 F167W29-F140 HydrophobicContact CB-CE2 3.98Å; W29-F140 HydrophobicContact CB-CZ 3.8Å; W29-F140 HydrophobicContact CD2-CE2 4.19Å; W29-F140 HydrophobicContact CD2-CZ 4.3Å; W29-F140 AromaticContact CE3-CD1 3.94Å; W29-F140 HydrophobicContact CE3-CD1 3.94Å; W29-F140 AromaticContact CE3-CD2 3.73Å; W29-F140 HydrophobicContact CE3-CD2 3.73Å; W29-F140 AromaticContact CE3-CE1 3.73Å; W29-F140 HydrophobicContact CE3-CE1 3.73Å; W29-F140 AromaticContact CE3-CE2 3.53Å; W29-F140 HydrophobicContact CE3-CE2 3.53Å; W29-F140 AromaticContact CE3-CG 3.95Å; W29-F140 HydrophobicContact CE3-CG 3.95Å; W29-F140 AromaticContact CE3-CZ 3.54Å; W29-F140 HydrophobicContact CE3-CZ 3.54Å; W29-F140 HydrophobicContact CG-CE2 4.41Å; W29-F140 HydrophobicContact CG-CZ 4.46Å; W29-F140 HydrophobicContact CZ3-CD1 4.07Å; W29-F140 HydrophobicContact CZ3-CD2 4.04Å; W29-F140 HydrophobicContact CZ3-CE1 4.31Å; W29-F140 HydrophobicContact CZ3-CE2 4.3Å; W29-F140 AromaticContact CZ3-CG 3.95Å; W29-F140 HydrophobicContact CZ3-CG 3.95Å; W29-F140 HydrophobicContact CZ3-CZ 4.45Å; Q30-F140 HydrophobicContact CG-CZ 3.75Å; W88-F140 AromaticContact CE3-CD2 3.95Å; W88-F140 HydrophobicContact CE3-CD2 3.95Å; W88-F140 HydrophobicContact CE3-CE2 4.02Å; W88-F140 HydrophobicContact CH2-CE2 4.21Å; W88-F140 AromaticContact CZ3-CD2 3.44Å; W88-F140 HydrophobicContact CZ3-CD2 3.44Å; W88-F140 VanDerWaalsContact CZ3-CD2 3.44Å; W88-F140 AromaticContact CZ3-CE2 3.36Å; W88-F140 HydrophobicContact CZ3-CE2 3.36Å; W88-F140 HydrophobicContact CZ3-CG 4.4Å; W88-F140 HydrophobicContact CZ3-CZ 4.3Å; V91-F140 HydrophobicContact CG1-CB 3.88Å; V91-F140 HydrophobicContact CG1-CD2 4.19Å; V91-F140 HydrophobicContact CG1-CG 4.47Å; V91-F140 HydrophobicContact CG2-CB 4.03Å; G136-F140 WeakPolarHBondContact O-CB 3.37Å; G136-F140 PolarHBondContact O-N 3.42Å; I137-F140 PolarHBondContact O-N 2.98Å; F140-R142 PolarHBondContact O-N 3.07Å; F140-S143 PolarHBondContact O-N 2.9Å; F140-S144 WeakPolarHBondContact CE1-OG 3.35Å; F140-S144 WeakPolarHBondContact CZ-OG 3.4Å; F140-S144 VanDerWaalsContact O-CB 3.27Å; F140-S144 WeakPolarHBondContact O-CB 3.37Å; F140-S144 PolarHBondContact O-N 3.19Å; F140-S144 PolarHBondContact O-OG 2.95Å; F140-L163 HydrophobicContact CE1-CD2 3.78Å; F140-F167 AromaticContact CD1-CD2 3.47Å; F140-F167 HydrophobicContact CD1-CD2 3.47Å; F140-F167 VanDerWaalsContact CD1-CD2 3.47Å; F140-F167 AromaticContact CD1-CE2 3.86Å; F140-F167 HydrophobicContact CD1-CE2 3.86Å; F140-F167 HydrophobicContact CD1-CG 4.49Å; F140-F167 HydrophobicContact CE1-CB 4.34Å; F140-F167 AromaticContact CE1-CD2 3.63Å; F140-F167 HydrophobicContact CE1-CD2 3.63Å; F140-F167 HydrophobicContact CE1-CE2 4.33Å; F140-F167 HydrophobicContact CE1-CG 4.25Å
141F94.6Very high92.1Very high99 Ų9967 Ų6743%0.43432%0.317SS..Hα-helixtrans-63.2-44.3-178.4-176-97.4000111.7I137 I138 V139 S144 H145 L163 F167I137-F141 WeakPolarHBondContact O-CB 3.28Å; I137-F141 PolarHBondContact O-N 2.68Å; I138-F141 PolarHBondContact O-N 3.46Å; V139-F141 PolarHBondContact O-N 2.87Å; F141-S144 PolarHBondContact O-N 3.31Å; F141-H145 PolarHBondContact O-N 3.34Å; F141-L163 HydrophobicContact CD2-CD1 4.43Å; F141-L163 HydrophobicContact CE2-CD1 4.24Å; F141-F167 HydrophobicContact CB-CE2 4.37Å; F141-F167 HydrophobicContact CD2-CE2 4.32Å; F141-F167 AromaticContact CD2-CZ 3.82Å; F141-F167 HydrophobicContact CD2-CZ 3.82Å
142R94.1Very high91.4Very high191 Ų19164.6 Ų64.672%0.72130%0.304SS*.Hα-helixtrans-61.2-49.6175-74.4-127.4-177.8174.60.9111.7I138 V139 F140 S144 H145 E146I138-R142 WeakPolarHBondContact O-CG 3.48Å; I138-R142 PolarHBondContact O-N 3.26Å; V139-R142 PolarHBondContact O-N 3.22Å; F140-R142 PolarHBondContact O-N 3.07Å; R142-S144 VanDerWaalsContact C-N 3.32Å; R142-S144 PolarHBondContact O-N 3.07Å; R142-H145 PolarHBondContact O-N 2.88Å; R142-E146 PolarHBondContact O-N 3Å
143S89.7Confident90.6Very high3 Ų369.1 Ų69.12%0.02133%0.325CS..Hα-helixtrans-61.2-41.2179.5-171.90000111.7T87 V139 F140 H145 E146 N149T87-S143 WeakPolarHBondContact CG2-OG 3.42Å; V139-S143 VanDerWaalsContact O-CB 3.29Å; V139-S143 WeakPolarHBondContact O-CB 3.33Å; V139-S143 PolarHBondContact O-N 3.47Å; F140-S143 PolarHBondContact O-N 2.9Å; S143-H145 PolarHBondContact O-N 3.41Å; S143-E146 WeakPolarHBondContact O-CB 3.24Å; S143-E146 PolarHBondContact O-N 2.87Å; S143-N149 WeakPolarHBondContact O-CB 3.48Å; S143-N149 PolarHBondContact O-ND2 3.14Å; S143-N149 PolarHBondContact OG-ND2 3.08Å
144S90.1Very high89.8Confident9 Ų970.5 Ų70.56%0.06333%0.333CS..Hα-helixtrans-67.1-24.8179.9-600000112.9F140 F141 R142F140-S144 WeakPolarHBondContact CE1-OG 3.35Å; F140-S144 WeakPolarHBondContact CZ-OG 3.4Å; F140-S144 VanDerWaalsContact O-CB 3.27Å; F140-S144 WeakPolarHBondContact O-CB 3.37Å; F140-S144 PolarHBondContact O-N 3.19Å; F140-S144 PolarHBondContact O-OG 2.95Å; F141-S144 PolarHBondContact O-N 3.31Å; R142-S144 VanDerWaalsContact C-N 3.32Å; R142-S144 PolarHBondContact O-N 3.07Å
145H90.8Very high89Confident109 Ų10976.7 Ų76.751%0.50536%0.362SS..THydrogen-bonded Turntrans-89.8-6180-148.9-74.4000113.4F141 R142 S143F141-H145 PolarHBondContact O-N 3.34Å; R142-H145 PolarHBondContact O-N 2.88Å; S143-H145 PolarHBondContact O-N 3.41Å
146E89Confident88.3Confident110 Ų11080.7 Ų80.751%0.51438%0.383SS..SBendtrans-65.1134.4169.4-66.4-177.6-179.100110R142 S143 R148 N149 R150R142-E146 PolarHBondContact O-N 3Å; S143-E146 WeakPolarHBondContact O-CB 3.24Å; S143-E146 PolarHBondContact O-N 2.87Å; E146-R148 PolarHBondContact O-N 3.31Å; E146-R148 VanDerWaalsContact O-N 3.1Å; E146-N149 PolarHBondContact O-N 3.38Å; E146-R150 WeakPolarHBondContact O-CB 3.47Å; E146-R150 PolarHBondContact O-N 3.39Å
147L84.9Confident87.8Confident127 Ų12782.9 Ų82.967%0.66540%0.396SS*.Hα-helixtrans-54.4-36.1-174-72.2168.3000113.3N149 R150 I151L147-N149 VanDerWaalsContact C-N 3.32Å; L147-N149 PolarHBondContact O-N 3.01Å; L147-R150 PolarHBondContact O-N 3.43Å; L147-I151 HydrophobicContact CD2-CD1 3.93Å; L147-I151 PolarHBondContact O-N 3.37Å
148R82.8Confident87.3Confident168 Ų16885.8 Ų85.863%0.63442%0.418SS*.Hα-helixtrans-65.5-34.4178.9-173178.7-69.2-163-0.3112.8E146E146-R148 PolarHBondContact O-N 3.31Å; E146-R148 VanDerWaalsContact O-N 3.1Å
149N83.5Confident86.9Confident14 Ų1481.9 Ų81.98%0.07540%0.397CS..Hα-helixtrans-88.5-28.7178.2-62.9-29.8000111.2T84 S143 E146 L147 Q161T84-N149 WeakPolarHBondContact CG2-OD1 3.21Å; S143-N149 WeakPolarHBondContact O-CB 3.48Å; S143-N149 PolarHBondContact O-ND2 3.14Å; S143-N149 PolarHBondContact OG-ND2 3.08Å; E146-N149 PolarHBondContact O-N 3.38Å; L147-N149 VanDerWaalsContact C-N 3.32Å; L147-N149 PolarHBondContact O-N 3.01Å; N149-Q161 PolarHBondContact O-OE1 3.27Å
150R86.4Confident86.6Confident99 Ų9983.2 Ų83.237%0.37441%0.405SS..Hα-helixtrans-78.1-33.6-177.7-175.9176.7176.1-170.8-1.5113.5E146 L147 V160 Q161E146-R150 WeakPolarHBondContact O-CB 3.47Å; E146-R150 PolarHBondContact O-N 3.39Å; L147-R150 PolarHBondContact O-N 3.43Å; R150-V160 HydrophobicContact CG-CG1 4.27Å; R150-Q161 PolarHBondContact O-N 3.01Å
151I86.5Confident86.4Confident73 Ų7384.2 Ų84.237%0.37441%0.41SS..EExtended strand (participates in β ladder)trans-115.3117.2-170.9-57.2175.1000109.1L147L147-I151 HydrophobicContact CD2-CD1 3.93Å; L147-I151 PolarHBondContact O-N 3.37Å
152Y80.6Confident86.3Confident98 Ų9886.3 Ų86.338%0.38442%0.421SS..EExtended strand (participates in β ladder)trans-102.6122.3174.9-170-111000109.7I34 V154 S158 Y159I34-Y152 HydrophobicContact CD1-CD1 4.47Å; I34-Y152 HydrophobicContact CD1-CE1 4.23Å; Y152-V154 HydrophobicContact CD1-CG2 3.51Å; Y152-V154 HydrophobicContact CE1-CG2 3.24Å; Y152-S158 WeakPolarHBondContact O-CA 3.44Å; Y152-Y159 PolarHBondContact N-O 3.39Å; Y152-Y159 PolarHBondContact O-N 3.27Å
153L81.5Confident86.3Confident112 Ų11280 Ų8059%0.58640%0.401SS*.EExtended strand (participates in β ladder)trans-98.2118.7178.2-176.469.7000109.3
154V78.9Confident86.5Confident31 Ų3180.2 Ų80.219%0.18840%0.404CS..EExtended strand (participates in β ladder)trans-111117.3168.1-177.50000107.6I34 Y152 T156 T157 Y159I34-V154 HydrophobicContact CD1-CG2 4.29Å; Y152-V154 HydrophobicContact CD1-CG2 3.51Å; Y152-V154 HydrophobicContact CE1-CG2 3.24Å; V154-T156 VanDerWaalsContact C-N 3.31Å; V154-T156 PolarHBondContact O-N 2.91Å; V154-T157 PolarHBondContact N-O 3.18Å; V154-T157 PolarHBondContact O-N 3.14Å; V154-T157 PolarHBondContact O-OG1 2.86Å; V154-Y159 HydrophobicContact CB-CD2 4.49Å; V154-Y159 HydrophobicContact CB-CE2 4.06Å; V154-Y159 HydrophobicContact CG2-CD2 4.2Å; V154-Y159 HydrophobicContact CG2-CE2 4.13Å
155L79.9Confident86.8Confident155 Ų15585.7 Ų85.781%0.81242%0.424SS*.THydrogen-bonded Turntrans56-85.9-175.7-106.364.8000112.8
156T82Confident87Confident121 Ų12180.5 Ų80.574%0.74240%0.4SS*.THydrogen-bonded Turntrans-133.6-6.6-175.256.80000113.3V154V154-T156 VanDerWaalsContact C-N 3.31Å; V154-T156 PolarHBondContact O-N 2.91Å
157T85.7Confident87.3Confident47 Ų4775.7 Ų75.729%0.28838%0.377SS..EExtended strand (participates in β ladder)trans-106.3131.1-179.654.80000110.9Q36 V154 Y159Q36-T157 PolarHBondContact NE2-OG1 3.23Å; Q36-T157 PolarHBondContact OE1-OG1 3.46Å; V154-T157 PolarHBondContact N-O 3.18Å; V154-T157 PolarHBondContact O-N 3.14Å; V154-T157 PolarHBondContact O-OG1 2.86Å; T157-Y159 VanDerWaalsContact OG1-CE2 3.24Å; T157-Y159 WeakPolarHBondContact OG1-CE2 3.39Å; T157-Y159 PolarHBondContact OG1-OH 3.49Å
158S87.5Confident87.9Confident80 Ų8077.2 Ų77.256%0.55937%0.374SS*.EExtended strand (participates in β ladder)trans-93.4122.9176.558.90000110.2Y152Y152-S158 WeakPolarHBondContact O-CA 3.44Å
159Y87.7Confident88.6Confident21 Ų2171.6 Ų71.68%0.08236%0.357CS..EExtended strand (participates in β ladder)trans-103.4136.4172.6-59.1-86.9000109.8V32 Y33 I34 D35 Q36 Y152 V154 T157V32-Y159 VanDerWaalsContact CG2-CB 3.5Å; V32-Y159 HydrophobicContact CG2-CG 4.42Å; Y33-Y159 VanDerWaalsContact O-CD1 3.23Å; Y33-Y159 WeakPolarHBondContact O-CD1 3.22Å; I34-Y159 HydrophobicContact CG1-CD2 4.45Å; I34-Y159 HydrophobicContact CG2-CD2 4.42Å; I34-Y159 HydrophobicContact CG2-CE1 4.37Å; I34-Y159 HydrophobicContact CG2-CE2 3.78Å; D35-Y159 HydrophobicContact CB-CE1 4.22Å; Q36-Y159 VanDerWaalsContact CG-OH 3.25Å; Q36-Y159 WeakPolarHBondContact CG-OH 3.37Å; Q36-Y159 PolarHBondContact N-OH 3.49Å; Q36-Y159 PolarHBondContact OE1-OH 2.91Å; Y152-Y159 PolarHBondContact N-O 3.39Å; Y152-Y159 PolarHBondContact O-N 3.27Å; V154-Y159 HydrophobicContact CB-CD2 4.49Å; V154-Y159 HydrophobicContact CB-CE2 4.06Å; V154-Y159 HydrophobicContact CG2-CD2 4.2Å; V154-Y159 HydrophobicContact CG2-CE2 4.13Å; T157-Y159 VanDerWaalsContact OG1-CE2 3.24Å; T157-Y159 WeakPolarHBondContact OG1-CE2 3.39Å; T157-Y159 PolarHBondContact OG1-OH 3.49Å
160V89Confident89.2Confident78 Ų7871.1 Ų71.147%0.47336%0.355SS..EExtended strand (participates in β ladder)trans-89.5123.6178.1-179.10000108.9R150R150-V160 HydrophobicContact CG-CG1 4.27Å
161Q89.5Confident89.7Confident24 Ų2468.9 Ų68.911%0.11235%0.352CS..PPolyproline II helixtrans-73.6129.3171.6-57-161.9-1400110V32 H43 N149 R150V32-Q161 HydrophobicContact CB-CG 4.18Å; H43-Q161 PolarHBondContact CD2-NE2 2.95Å; H43-Q161 VanDerWaalsContact CD2-NE2 3.29Å; H43-Q161 PolarHBondContact NE2-NE2 3.44Å; N149-Q161 PolarHBondContact O-OE1 3.27Å; R150-Q161 PolarHBondContact O-N 3.01Å
162Q91.9Very high90.3Very high142 Ų14267.7 Ų67.766%0.66435%0.353SS*.EExtended strand (participates in β ladder)trans-100.2152.6175.8-61.8-173.9-1.500110.3Q30 V31 G164Q30-Q162 CarbonylContact C-O 3.6Å; Q30-Q162 WeakPolarHBondContact CA-O 3.22Å; V31-Q162 PolarHBondContact N-O 3.48Å; V31-Q162 PolarHBondContact O-N 3.42Å; Q162-G164 PolarHBondContact O-N 2.93Å
163L94Very high91.1Very high60 Ų6063 Ų6331%0.31433%0.334SS..EExtended strand (participates in β ladder)trans-68.5123.9170.4-65.6163.5000108.5F140 F141 F167F140-L163 HydrophobicContact CE1-CD2 3.78Å; F141-L163 HydrophobicContact CD2-CD1 4.43Å; F141-L163 HydrophobicContact CE2-CD1 4.24Å; L163-F167 HydrophobicContact CB-CD1 4.14Å; L163-F167 HydrophobicContact CD1-CD1 4.11Å; L163-F167 HydrophobicContact CD1-CE1 3.95Å; L163-F167 HydrophobicContact CD1-CZ 4.5Å; L163-F167 HydrophobicContact CD2-CD1 4.18Å; L163-F167 HydrophobicContact CD2-CD2 4.3Å; L163-F167 HydrophobicContact CD2-CE1 4.49Å; L163-F167 HydrophobicContact CD2-CG 4.08Å; L163-F167 HydrophobicContact CG-CD1 4.38Å
164G94Very high91.8Very high7 Ų758.4 Ų58.47%0.07231%0.312CS..  trans-84.9179.5178.400000113A28 W29 Q162 S166 F167A28-G164 CarbonylContact O-C 3.51Å; A28-G164 WeakPolarHBondContact O-CA 3.34Å; W29-G164 PolarHBondContact O-N 3.19Å; Q162-G164 PolarHBondContact O-N 2.93Å; G164-S166 VanDerWaalsContact C-N 3.26Å; G164-S166 PolarHBondContact O-N 2.96Å; G164-F167 PolarHBondContact O-N 3.4Å
165Y95.8Very high92.7Very high123 Ų12359.1 Ų59.148%0.48233%0.325SS..Hα-helixtrans-66.2-27.6-17463.2-98.6000113.2T26 A28 F167 W168 L169T26-Y165 HydrophobicContact CG2-CE2 3.88Å; T26-Y165 PolarHBondContact OG1-OH 3.21Å; A28-Y165 HydrophobicContact CB-CD1 3.5Å; A28-Y165 HydrophobicContact CB-CD2 4.47Å; A28-Y165 HydrophobicContact CB-CE1 3.03Å; A28-Y165 HydrophobicContact CB-CE2 4.09Å; A28-Y165 HydrophobicContact CB-CG 4.21Å; A28-Y165 PolarHBondContact O-N 3.42Å; Y165-F167 VanDerWaalsContact C-N 3.28Å; Y165-F167 PolarHBondContact O-N 3.49Å; Y165-W168 WeakPolarHBondContact O-CB 3.39Å; Y165-W168 PolarHBondContact O-N 3.43Å; Y165-W168 VanDerWaalsContact O-N 3.08Å; Y165-L169 HydrophobicContact CD2-CD1 3.88Å; Y165-L169 HydrophobicContact CE2-CD1 4.3Å; Y165-L169 WeakPolarHBondContact O-CG 3.37Å; Y165-L169 PolarHBondContact O-N 3.04Å
166S95.9Very high93.5Very high0 Ų053.6 Ų53.60%030%0.296CS..Hα-helixtrans-64.5-35.6-178.5-39.90000112.3A23 T26 A28 G164 W168 L169 A170A23-S166 WeakPolarHBondContact CB-O 3.5Å; T26-S166 VanDerWaalsContact CG2-CB 3.48Å; T26-S166 WeakPolarHBondContact CG2-OG 3.48Å; A28-S166 WeakPolarHBondContact CA-OG 3.43Å; A28-S166 WeakPolarHBondContact CB-OG 3.49Å; A28-S166 PolarHBondContact N-OG 2.94Å; A28-S166 WeakPolarHBondContact O-CB 3.09Å; A28-S166 PolarHBondContact O-N 3.38Å; A28-S166 PolarHBondContact O-OG 3.3Å; G164-S166 VanDerWaalsContact C-N 3.26Å; G164-S166 PolarHBondContact O-N 2.96Å; S166-W168 VanDerWaalsContact C-N 3.33Å; S166-W168 PolarHBondContact O-N 3.14Å; S166-L169 PolarHBondContact O-N 3.05Å; S166-A170 PolarHBondContact O-N 2.74Å
167F96Very high94.1Very high10 Ų1047.9 Ų47.94%0.04426%0.261CS..Hα-helixtrans-59.4-46.2172.3171-101.6000110.8W29 I137 F140 F141 L163 G164 Y165 A170 V171W29-F167 HydrophobicContact CE3-CB 4.09Å; W29-F167 HydrophobicContact CE3-CD2 4.43Å; W29-F167 HydrophobicContact CZ3-CB 4.42Å; W29-F167 HydrophobicContact CZ3-CD2 4.22Å; I137-F167 HydrophobicContact CG2-CE2 3.99Å; I137-F167 HydrophobicContact CG2-CZ 4.41Å; F140-F167 AromaticContact CD1-CD2 3.47Å; F140-F167 HydrophobicContact CD1-CD2 3.47Å; F140-F167 VanDerWaalsContact CD1-CD2 3.47Å; F140-F167 AromaticContact CD1-CE2 3.86Å; F140-F167 HydrophobicContact CD1-CE2 3.86Å; F140-F167 HydrophobicContact CD1-CG 4.49Å; F140-F167 HydrophobicContact CE1-CB 4.34Å; F140-F167 AromaticContact CE1-CD2 3.63Å; F140-F167 HydrophobicContact CE1-CD2 3.63Å; F140-F167 HydrophobicContact CE1-CE2 4.33Å; F140-F167 HydrophobicContact CE1-CG 4.25Å; F141-F167 HydrophobicContact CB-CE2 4.37Å; F141-F167 HydrophobicContact CD2-CE2 4.32Å; F141-F167 AromaticContact CD2-CZ 3.82Å; F141-F167 HydrophobicContact CD2-CZ 3.82Å; L163-F167 HydrophobicContact CB-CD1 4.14Å; L163-F167 HydrophobicContact CD1-CD1 4.11Å; L163-F167 HydrophobicContact CD1-CE1 3.95Å; L163-F167 HydrophobicContact CD1-CZ 4.5Å; L163-F167 HydrophobicContact CD2-CD1 4.18Å; L163-F167 HydrophobicContact CD2-CD2 4.3Å; L163-F167 HydrophobicContact CD2-CE1 4.49Å; L163-F167 HydrophobicContact CD2-CG 4.08Å; L163-F167 HydrophobicContact CG-CD1 4.38Å; G164-F167 PolarHBondContact O-N 3.4Å; Y165-F167 VanDerWaalsContact C-N 3.28Å; Y165-F167 PolarHBondContact O-N 3.49Å; F167-A170 WeakPolarHBondContact O-CB 3.37Å; F167-A170 PolarHBondContact O-N 3.28Å; F167-V171 HydrophobicContact CD1-CG2 4.43Å; F167-V171 HydrophobicContact CE1-CG2 3.98Å; F167-V171 HydrophobicContact CE2-CG2 4.2Å; F167-V171 HydrophobicContact CZ-CG2 3.86Å; F167-V171 WeakPolarHBondContact O-CG2 3.44Å; F167-V171 PolarHBondContact O-N 3.42Å
168W97.2Very high94.6Very high159 Ų15949.8 Ų49.860%0.60227%0.268SS*.Hα-helixtrans-67.8-36.3178.4-66.4108.1000113.1Y165 S166 A170 V171 A172Y165-W168 WeakPolarHBondContact O-CB 3.39Å; Y165-W168 PolarHBondContact O-N 3.43Å; Y165-W168 VanDerWaalsContact O-N 3.08Å; S166-W168 VanDerWaalsContact C-N 3.33Å; S166-W168 PolarHBondContact O-N 3.14Å; W168-A170 VanDerWaalsContact C-N 3.32Å; W168-A170 PolarHBondContact O-N 2.87Å; W168-V171 PolarHBondContact O-N 2.89Å; W168-A172 WeakPolarHBondContact O-CB 3.28Å; W168-A172 PolarHBondContact O-N 3Å
169L96.9Very high95.1Very high50 Ų5047.6 Ų47.626%0.26225%0.254SS..Hα-helixtrans-61-41.9172-67.7174.3000111.2L19 A23 Y165 S166 A172 A173L19-L169 HydrophobicContact CD2-CD2 3.79Å; A23-L169 HydrophobicContact CB-CB 4.02Å; Y165-L169 HydrophobicContact CD2-CD1 3.88Å; Y165-L169 HydrophobicContact CE2-CD1 4.3Å; Y165-L169 WeakPolarHBondContact O-CG 3.37Å; Y165-L169 PolarHBondContact O-N 3.04Å; S166-L169 PolarHBondContact O-N 3.05Å; L169-A172 PolarHBondContact O-N 2.69Å; L169-A173 WeakPolarHBondContact O-CB 3.42Å; L169-A173 PolarHBondContact O-N 3.27Å
170A96.7Very high95.5Very high4 Ų446.6 Ų46.63%0.03325%0.25CS..Hα-helixtrans-65.8-41.4175.700000112.3A23 W29 I137 S166 F167 W168 A173 C174A23-A170 HydrophobicContact CB-CB 4.18Å; W29-A170 HydrophobicContact CH2-CB 3.44Å; W29-A170 VanDerWaalsContact CH2-CB 3.44Å; W29-A170 HydrophobicContact CZ2-CB 4.02Å; W29-A170 HydrophobicContact CZ3-CB 4.2Å; I137-A170 WeakPolarHBondContact CD1-O 3.36Å; I137-A170 HydrophobicContact CG1-CB 4.38Å; S166-A170 PolarHBondContact O-N 2.74Å; F167-A170 WeakPolarHBondContact O-CB 3.37Å; F167-A170 PolarHBondContact O-N 3.28Å; W168-A170 VanDerWaalsContact C-N 3.32Å; W168-A170 PolarHBondContact O-N 2.87Å; A170-A173 WeakPolarHBondContact O-CB 3.32Å; A170-A173 PolarHBondContact O-N 2.97Å; A170-C174 PolarHBondContact O-N 3.24Å
171V97.6Very high95.8Very high51 Ų5143.8 Ų43.831%0.30923%0.232SC..Hα-helixtrans-60-46.7174.1172.80000111.3I137 F167 W168 A173 C174 G175I137-V171 HydrophobicContact CD1-CG2 4.41Å; I137-V171 HydrophobicContact CG2-CG2 3.9Å; F167-V171 HydrophobicContact CD1-CG2 4.43Å; F167-V171 HydrophobicContact CE1-CG2 3.98Å; F167-V171 HydrophobicContact CE2-CG2 4.2Å; F167-V171 HydrophobicContact CZ-CG2 3.86Å; F167-V171 WeakPolarHBondContact O-CG2 3.44Å; F167-V171 PolarHBondContact O-N 3.42Å; W168-V171 PolarHBondContact O-N 2.89Å; V171-A173 VanDerWaalsContact C-N 3.33Å; V171-A173 PolarHBondContact O-N 2.95Å; V171-C174 PolarHBondContact O-N 3.43Å; V171-G175 PolarHBondContact O-N 3.3Å
172A97.6Very high96.1Very high48 Ų4846 Ų4640%0.39725%0.249SC..Hα-helixtrans-61.4-42.2175.800000111.6L19 W168 L169 C174 G175 L176L19-A172 HydrophobicContact CD1-CB 4.03Å; W168-A172 WeakPolarHBondContact O-CB 3.28Å; W168-A172 PolarHBondContact O-N 3Å; L169-A172 PolarHBondContact O-N 2.69Å; A172-C174 PolarHBondContact O-N 3.22Å; A172-G175 PolarHBondContact O-N 3.21Å; A172-L176 PolarHBondContact O-N 3.4Å
173A97.4Very high96.3Very high0 Ų040.2 Ų40.20%023%0.225CC..Hα-helixtrans-60.7-43.2175.800000112.4G16 L19 V20 L169 A170 V171 G175 L176 Q177G16-A173 WeakPolarHBondContact O-CB 3.21Å; L19-A173 HydrophobicContact CB-CB 3.65Å; V20-A173 HydrophobicContact CG2-CB 3.49Å; V20-A173 VanDerWaalsContact CG2-CB 3.49Å; L169-A173 WeakPolarHBondContact O-CB 3.42Å; L169-A173 PolarHBondContact O-N 3.27Å; A170-A173 WeakPolarHBondContact O-CB 3.32Å; A170-A173 PolarHBondContact O-N 2.97Å; V171-A173 VanDerWaalsContact C-N 3.33Å; V171-A173 PolarHBondContact O-N 2.95Å; A173-G175 VanDerWaalsContact C-N 3.33Å; A173-G175 PolarHBondContact O-N 3.41Å; A173-L176 PolarHBondContact O-N 2.87Å; A173-Q177 WeakPolarHBondContact O-CG 3.26Å; A173-Q177 PolarHBondContact O-N 3.49Å
174C97Very high96.3Very high16 Ų1637.4 Ų37.411%0.10821%0.21CC..Hα-helixtrans-62.9-39.8175.2-175.60000111.8I137 A170 V171 A172 Q177 M178I137-C174 HydrophobicContact CD1-CB 3.34Å; A170-C174 PolarHBondContact O-N 3.24Å; V171-C174 PolarHBondContact O-N 3.43Å; A172-C174 PolarHBondContact O-N 3.22Å; C174-Q177 PolarHBondContact O-N 3.01Å; C174-M178 PolarHBondContact O-N 3.46Å
175G96.9Very high96.4Very high45 Ų4540.5 Ų40.546%0.46422%0.224SC..Hα-helixtrans-59.9-44.4173.300000112.5V171 A172 A173 M178 A179V171-G175 PolarHBondContact O-N 3.3Å; A172-G175 PolarHBondContact O-N 3.21Å; A173-G175 VanDerWaalsContact C-N 3.33Å; A173-G175 PolarHBondContact O-N 3.41Å; G175-M178 PolarHBondContact O-N 3.26Å; G175-A179 PolarHBondContact O-N 3.09Å
176L96.9Very high96.4Very high39 Ų3938.1 Ų38.120%0.20422%0.222CC..Hα-helixtrans-67.4-37.5176.4-70.9177.4000113F12 I15 L19 A172 A173 M178 A179 A180F12-L176 HydrophobicContact CD1-CD2 3.97Å; F12-L176 HydrophobicContact CG-CD2 4.43Å; I15-L176 HydrophobicContact CB-CD1 3.92Å; I15-L176 HydrophobicContact CG2-CD1 3.44Å; I15-L176 VanDerWaalsContact CG2-CD1 3.44Å; L19-L176 HydrophobicContact CD1-CD1 3.75Å; A172-L176 PolarHBondContact O-N 3.4Å; A173-L176 PolarHBondContact O-N 2.87Å; L176-M178 VanDerWaalsContact C-N 3.32Å; L176-A179 PolarHBondContact O-N 3.27Å; L176-A180 WeakPolarHBondContact O-CB 3.48Å; L176-A180 PolarHBondContact O-N 3.09Å
177Q95.9Very high96.2Very high1 Ų139 Ų391%0.00523%0.226CC..Hα-helixtrans-65.2-37.1173.8-72.6177.21100111.9A129 S133 A173 C174 A180 L181A129-Q177 PolarHBondContact O-OE1 2.87Å; S133-Q177 VanDerWaalsContact CB-OE1 3.23Å; S133-Q177 PolarHBondContact OG-NE2 2.93Å; S133-Q177 PolarHBondContact OG-OE1 3.38Å; A173-Q177 WeakPolarHBondContact O-CG 3.26Å; A173-Q177 PolarHBondContact O-N 3.49Å; C174-Q177 PolarHBondContact O-N 3.01Å; Q177-A180 PolarHBondContact O-N 3.25Å; Q177-L181 PolarHBondContact O-N 3.33Å
178M96.1Very high96.1Very high88 Ų8839.5 Ų39.543%0.43323%0.231SC..Hα-helixtrans-65.1-42173.5-166.263.567.600111.4A130 C174 G175 L176 L181 C182A130-M178 HydrophobicContact CB-CE 4.19Å; C174-M178 PolarHBondContact O-N 3.46Å; G175-M178 PolarHBondContact O-N 3.26Å; L176-M178 VanDerWaalsContact C-N 3.32Å; M178-L181 WeakPolarHBondContact O-CB 3.33Å; M178-L181 PolarHBondContact O-N 3.2Å; M178-L181 HydrophobicContact SD-CD2 4.1Å; M178-C182 PolarHBondContact O-N 2.93Å; M178-C182 PolarHBondContact O-SG 3.38Å; M178-C182 VanDerWaalsContact O-SG 3.42Å
179A96.4Very high95.9Very high33 Ų3336.5 Ų36.527%0.27323%0.226SC..Hα-helixtrans-63-41.9173.800000112F12 G175 L176 L181 C182 C183F12-A179 HydrophobicContact CD2-CB 3.88Å; F12-A179 HydrophobicContact CE2-CB 4.18Å; F12-A179 HydrophobicContact CG-CB 4.46Å; G175-A179 PolarHBondContact O-N 3.09Å; L176-A179 PolarHBondContact O-N 3.27Å; A179-L181 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 2.7Å; A179-C182 WeakPolarHBondContact O-CB 3.48Å; A179-C182 PolarHBondContact O-N 2.84Å; A179-C183 PolarHBondContact O-N 3.09Å; A179-C183 PolarHBondContact O-SG 3.35Å
180A96.2Very high95.7Very high0 Ų036.7 Ų36.70%023%0.226CC..Hα-helixtrans-62.1-38.6174.600000111.9F12 Q13 L176 Q177 C183 S184F12-A180 HydrophobicContact CB-CB 4.23Å; Q13-A180 HydrophobicContact CB-CB 4.1Å; L176-A180 WeakPolarHBondContact O-CB 3.48Å; L176-A180 PolarHBondContact O-N 3.09Å; Q177-A180 PolarHBondContact O-N 3.25Å; A180-C183 PolarHBondContact O-N 3.32Å; A180-S184 WeakPolarHBondContact O-CB 3.47Å; A180-S184 PolarHBondContact O-N 3.41Å
181L96.1Very high95.4Very high19 Ų1936.9 Ų36.910%0.09923%0.227CC..Hα-helixtrans-59.7-47.6172.5177.462.1000111.1V123 N126 T127 A130 Q177 M178 A179 C183 S184 I185V123-L181 HydrophobicContact CG1-CD1 4.43Å; N126-L181 HydrophobicContact CB-CB 4.39Å; N126-L181 HydrophobicContact CB-CD1 4.02Å; T127-L181 WeakPolarHBondContact OG1-CD1 3.42Å; A130-L181 HydrophobicContact CB-CD2 4.25Å; Q177-L181 PolarHBondContact O-N 3.33Å; M178-L181 WeakPolarHBondContact O-CB 3.33Å; M178-L181 PolarHBondContact O-N 3.2Å; M178-L181 HydrophobicContact SD-CD2 4.1Å; A179-L181 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 2.7Å; L181-C183 PolarHBondContact O-N 3.33Å; L181-S184 WeakPolarHBondContact CA-OG 3.3Å; L181-S184 PolarHBondContact O-N 3.3Å; L181-S184 VanDerWaalsContact O-N 3.13Å; L181-S184 PolarHBondContact O-OG 3.47Å; L181-I185 HydrophobicContact CD1-CD1 4.2Å; L181-I185 HydrophobicContact CD1-CG1 4.37Å; L181-I185 HydrophobicContact CG-CD1 4.1Å; L181-I185 WeakPolarHBondContact O-CG1 3.32Å; L181-I185 PolarHBondContact O-N 3.17Å
182C96Very high95Very high70 Ų7038.3 Ų38.347%0.47323%0.229SC..Hα-helixtrans-57.5-46.4175.2-65.40000112.1M178 A179 S184 I185 V186M178-C182 PolarHBondContact O-N 2.93Å; M178-C182 PolarHBondContact O-SG 3.38Å; M178-C182 VanDerWaalsContact O-SG 3.42Å; A179-C182 WeakPolarHBondContact O-CB 3.48Å; A179-C182 PolarHBondContact O-N 2.84Å; C182-S184 VanDerWaalsContact C-N 3.31Å; C182-S184 PolarHBondContact O-N 3.01Å; C182-I185 PolarHBondContact O-N 2.95Å; C182-V186 WeakPolarHBondContact O-CG2 3.37Å; C182-V186 PolarHBondContact O-N 3.37Å
183C95.1Very high94.6Very high22 Ų2240.2 Ų40.215%0.14924%0.236CC..Hα-helixtrans-60.3-39.8175.6-68.30000112.3A179 A180 L181 V186 Y187A179-C183 PolarHBondContact O-N 3.09Å; A179-C183 PolarHBondContact O-SG 3.35Å; A180-C183 PolarHBondContact O-N 3.32Å; L181-C183 PolarHBondContact O-N 3.33Å; C183-V186 PolarHBondContact O-N 3.24Å; C183-Y187 WeakPolarHBondContact O-CB 3.43Å; C183-Y187 PolarHBondContact O-N 2.91Å
184S95.4Very high93.9Very high0 Ų041.4 Ų41.40%025%0.249CC..Hα-helixtrans-66.2-38.6178.8770000112.5V123 A180 L181 C182 Y187 S188V123-S184 WeakPolarHBondContact CG2-O 3.19Å; A180-S184 WeakPolarHBondContact O-CB 3.47Å; A180-S184 PolarHBondContact O-N 3.41Å; L181-S184 WeakPolarHBondContact CA-OG 3.3Å; L181-S184 PolarHBondContact O-N 3.3Å; L181-S184 VanDerWaalsContact O-N 3.13Å; L181-S184 PolarHBondContact O-OG 3.47Å; C182-S184 VanDerWaalsContact C-N 3.31Å; C182-S184 PolarHBondContact O-N 3.01Å; S184-Y187 PolarHBondContact O-N 3.44Å; S184-S188 WeakPolarHBondContact O-CB 3.49Å; S184-S188 PolarHBondContact O-N 3.3Å
185I95.4Very high93.1Very high73 Ų7346 Ų4637%0.37426%0.264SS..Hα-helixtrans-64.9-48.3175.1-67.1166.4000110V123 L181 C182 Y187 S188 I189V123-I185 HydrophobicContact CG1-CG1 4.15Å; V123-I185 HydrophobicContact CG2-CG1 4.49Å; L181-I185 HydrophobicContact CD1-CD1 4.2Å; L181-I185 HydrophobicContact CD1-CG1 4.37Å; L181-I185 HydrophobicContact CG-CD1 4.1Å; L181-I185 WeakPolarHBondContact O-CG1 3.32Å; L181-I185 PolarHBondContact O-N 3.17Å; C182-I185 PolarHBondContact O-N 2.95Å; I185-Y187 VanDerWaalsContact C-N 3.32Å; I185-Y187 PolarHBondContact O-N 3.23Å; I185-S188 WeakPolarHBondContact O-CB 3.37Å; I185-S188 PolarHBondContact O-N 2.98Å; I185-I189 HydrophobicContact CG2-CD1 3.91Å; I185-I189 WeakPolarHBondContact O-CG1 3.4Å; I185-I189 PolarHBondContact O-N 3.43Å
186V94.8Very high92.2Very high73 Ų7349 Ų4944%0.44227%0.269SS..Hα-helixtrans-58.8-44.8176.7172.90000110.8A5 C182 C183 S188 I189 L190A5-V186 HydrophobicContact CB-CG1 4.41Å; C182-V186 WeakPolarHBondContact O-CG2 3.37Å; C182-V186 PolarHBondContact O-N 3.37Å; C183-V186 PolarHBondContact O-N 3.24Å; V186-S188 PolarHBondContact O-N 2.67Å; V186-I189 PolarHBondContact O-N 2.68Å; V186-L190 HydrophobicContact CG1-CD1 3.99Å; V186-L190 HydrophobicContact CG1-CG 4.35Å; V186-L190 WeakPolarHBondContact O-CB 3.28Å; V186-L190 VanDerWaalsContact O-CG 3.26Å; V186-L190 WeakPolarHBondContact O-CG 3.5Å; V186-L190 PolarHBondContact O-N 3.19Å
187Y93.3Very high91.2Very high17 Ų1754.8 Ų54.87%0.06729%0.289CS..Hα-helixtrans-58.4-48175.9174.7-106.3000111.9R2 Q6 W122 C183 S184 I185 L190 V191R2-Y187 HydrophobicContact CB-CE2 4.4Å; R2-Y187 WeakPolarHBondContact O-CD2 3.26Å; Q6-Y187 HydrophobicContact CB-CD2 4.02Å; Q6-Y187 HydrophobicContact CB-CE2 4.08Å; W122-Y187 AromaticContact CE3-CD1 3.75Å; W122-Y187 HydrophobicContact CE3-CD1 3.75Å; W122-Y187 HydrophobicContact CE3-CE1 4.34Å; W122-Y187 HydrophobicContact CE3-CG 4.35Å; W122-Y187 AromaticContact CZ3-CD1 3.8Å; W122-Y187 HydrophobicContact CZ3-CD1 3.8Å; W122-Y187 AromaticContact CZ3-CG 3.94Å; W122-Y187 HydrophobicContact CZ3-CG 3.94Å; C183-Y187 WeakPolarHBondContact O-CB 3.43Å; C183-Y187 PolarHBondContact O-N 2.91Å; S184-Y187 PolarHBondContact O-N 3.44Å; I185-Y187 VanDerWaalsContact C-N 3.32Å; I185-Y187 PolarHBondContact O-N 3.23Å; Y187-L190 PolarHBondContact O-N 3.34Å; Y187-V191 HydrophobicContact CD1-CG2 4.38Å; Y187-V191 HydrophobicContact CD2-CG2 4.26Å; Y187-V191 HydrophobicContact CE1-CG2 4Å; Y187-V191 HydrophobicContact CE2-CG2 3.83Å; Y187-V191 WeakPolarHBondContact O-CG2 3.31Å; Y187-V191 PolarHBondContact O-N 3.22Å
188S93.7Very high90.3Very high21 Ų2159.8 Ų59.815%0.14731%0.313CS..Hα-helixtrans-57.3-51.4177.2-176.70000111.6S184 I185 V186 L190 V191 F192S184-S188 WeakPolarHBondContact O-CB 3.49Å; S184-S188 PolarHBondContact O-N 3.3Å; I185-S188 WeakPolarHBondContact O-CB 3.37Å; I185-S188 PolarHBondContact O-N 2.98Å; V186-S188 PolarHBondContact O-N 2.67Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.89Å; S188-V191 PolarHBondContact O-N 2.92Å; S188-V191 VanDerWaalsContact O-N 3.09Å; S188-F192 VanDerWaalsContact O-CD2 3.26Å; S188-F192 WeakPolarHBondContact O-CD2 3.35Å; S188-F192 PolarHBondContact O-N 3.34Å; S188-F192 VanDerWaalsContact O-N 3.09Å
189I93.1Very high89.5Confident97 Ų9760.5 Ų60.550%0.49732%0.315SS..Hα-helixtrans-55-48.7177.3-66.6167.4000110.7I185 V186 V191 F192 V193I185-I189 HydrophobicContact CG2-CD1 3.91Å; I185-I189 WeakPolarHBondContact O-CG1 3.4Å; I185-I189 PolarHBondContact O-N 3.43Å; V186-I189 PolarHBondContact O-N 2.68Å; I189-V191 VanDerWaalsContact C-N 3.31Å; I189-V191 PolarHBondContact O-N 2.98Å; I189-F192 PolarHBondContact O-N 3.11Å; I189-V193 HydrophobicContact CG2-CG2 4.07Å; I189-V193 WeakPolarHBondContact O-CB 3.25Å; I189-V193 VanDerWaalsContact O-CG2 3.31Å; I189-V193 WeakPolarHBondContact O-CG2 3.47Å; I189-V193 PolarHBondContact O-N 3.17Å
190L91.2Very high88.5Confident53 Ų5361.5 Ų61.528%0.27732%0.32SS..Hα-helixtrans-61.8-38.3-179.6-69.8174.8000112M1 R2 V186 Y187 S188 G194M1-L190 HydrophobicContact CB-CD1 4.4Å; R2-L190 HydrophobicContact CG-CB 3.66Å; R2-L190 HydrophobicContact CG-CD1 4.33Å; R2-L190 PolarHBondContact NE-O 3.3Å; R2-L190 PolarHBondContact NH2-O 3.42Å; V186-L190 HydrophobicContact CG1-CD1 3.99Å; V186-L190 HydrophobicContact CG1-CG 4.35Å; V186-L190 WeakPolarHBondContact O-CB 3.28Å; V186-L190 VanDerWaalsContact O-CG 3.26Å; V186-L190 WeakPolarHBondContact O-CG 3.5Å; V186-L190 PolarHBondContact O-N 3.19Å; Y187-L190 PolarHBondContact O-N 3.34Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.89Å; L190-G194 PolarHBondContact O-N 3.08Å
191V90.8Very high87.6Confident9 Ų964 Ų646%0.05534%0.335CS..Hα-helixtrans-63.1-43.7177.5168.10000111.5R2 R116 Y187 S188 I189R2-V191 PolarHBondContact NH2-O 3.42Å; R116-V191 HydrophobicContact CG-CG1 3.9Å; Y187-V191 HydrophobicContact CD1-CG2 4.38Å; Y187-V191 HydrophobicContact CD2-CG2 4.26Å; Y187-V191 HydrophobicContact CE1-CG2 4Å; Y187-V191 HydrophobicContact CE2-CG2 3.83Å; Y187-V191 WeakPolarHBondContact O-CG2 3.31Å; Y187-V191 PolarHBondContact O-N 3.22Å; S188-V191 PolarHBondContact O-N 2.92Å; S188-V191 VanDerWaalsContact O-N 3.09Å; I189-V191 VanDerWaalsContact C-N 3.31Å; I189-V191 PolarHBondContact O-N 2.98Å
192F89.5Confident86.8Confident80 Ų8067.4 Ų67.435%0.35135%0.353SS..Hα-helixtrans-70.7-48.2178.2-78.7-79.7000112.6R116 I120 S188 I189 G194 R195 N196R116-F192 HydrophobicContact CB-CZ 4.39Å; R116-F192 HydrophobicContact CG-CZ 4.44Å; I120-F192 HydrophobicContact CD1-CE2 4.22Å; I120-F192 HydrophobicContact CD1-CZ 3.77Å; I120-F192 HydrophobicContact CG1-CE2 4.12Å; I120-F192 HydrophobicContact CG1-CZ 4.19Å; S188-F192 VanDerWaalsContact O-CD2 3.26Å; S188-F192 WeakPolarHBondContact O-CD2 3.35Å; S188-F192 PolarHBondContact O-N 3.34Å; S188-F192 VanDerWaalsContact O-N 3.09Å; I189-F192 PolarHBondContact O-N 3.11Å; F192-G194 PolarHBondContact O-N 3.15Å; F192-R195 PolarHBondContact O-N 3.4Å; F192-R195 VanDerWaalsContact O-N 3.15Å; F192-N196 PolarHBondContact O-N 2.99Å
193V89.8Confident85.9Confident88 Ų8867.8 Ų67.853%0.53335%0.353SS..Hα-helixtrans-58.4-48.4-177.6169.80000112I189 R195 N196 Y197I189-V193 HydrophobicContact CG2-CG2 4.07Å; I189-V193 WeakPolarHBondContact O-CB 3.25Å; I189-V193 VanDerWaalsContact O-CG2 3.31Å; I189-V193 WeakPolarHBondContact O-CG2 3.47Å; I189-V193 PolarHBondContact O-N 3.17Å; V193-R195 PolarHBondContact O-N 3.48Å; V193-N196 WeakPolarHBondContact O-CB 3.46Å; V193-N196 PolarHBondContact O-N 3.28Å; V193-N196 VanDerWaalsContact O-N 3.11Å; V193-Y197 PolarHBondContact O-N 2.91Å
194G81.7Confident84.7Confident26 Ų2675 Ų7527%0.26838%0.378SS..Hα-helixtrans-70.1-15.3-178.200000114.6L190 F192 Q198L190-G194 PolarHBondContact O-N 3.08Å; F192-G194 PolarHBondContact O-N 3.15Å; G194-Q198 WeakPolarHBondContact O-CG 3.48Å; G194-Q198 PolarHBondContact O-N 3.09Å
195R80.2Confident83.7Confident113 Ų11377.6 Ų77.643%0.42640%0.396SS..Hα-helixtrans-76.2-40.1168.4-169.1-137.2177.567.2-26.9110.9R116 F192 V193 Y197 Q198 Q199R116-R195 VanDerWaalsContact NH1-CZ 3.26Å; R116-R195 VanDerWaalsContact NH2-CG 3.3Å; R116-R195 VanDerWaalsContact NH2-CZ 3.31Å; F192-R195 PolarHBondContact O-N 3.4Å; F192-R195 VanDerWaalsContact O-N 3.15Å; V193-R195 PolarHBondContact O-N 3.48Å; R195-Y197 PolarHBondContact O-N 3.41Å; R195-Q198 PolarHBondContact O-N 2.68Å; R195-Q198 VanDerWaalsContact O-N 3.08Å; R195-Q199 WeakPolarHBondContact O-CB 3.42Å; R195-Q199 PolarHBondContact O-N 3.36Å
196N79.4Confident82.9Confident107 Ų10780.8 Ų80.857%0.57241%0.407SS*.Hα-helixtrans-56.7-39.9177.4-68.9-10.3000110.8F192 V193 S200F192-N196 PolarHBondContact O-N 2.99Å; V193-N196 WeakPolarHBondContact O-CB 3.46Å; V193-N196 PolarHBondContact O-N 3.28Å; V193-N196 VanDerWaalsContact O-N 3.11Å; N196-S200 WeakPolarHBondContact O-CB 3.34Å; N196-S200 PolarHBondContact O-N 3.4Å
197Y75Confident82.1Confident160 Ų16080.6 Ų80.663%0.62741%0.409SS*.Hα-helixtrans-60.7-52.2172.5-173.8-98.5000112.5V193 R195 Q199 S200 T201V193-Y197 PolarHBondContact O-N 2.91Å; R195-Y197 PolarHBondContact O-N 3.41Å; Y197-Q199 VanDerWaalsContact C-N 3.34Å; Y197-Q199 PolarHBondContact O-N 3.27Å; Y197-S200 WeakPolarHBondContact O-CB 3.33Å; Y197-S200 PolarHBondContact O-N 3.02Å; Y197-T201 HydrophobicContact CD1-CG2 4.29Å; Y197-T201 HydrophobicContact CE1-CG2 3.91Å; Y197-T201 WeakPolarHBondContact O-CG2 3.35Å; Y197-T201 PolarHBondContact O-N 2.8Å; Y197-T201 PolarHBondContact O-OG1 3.06Å
198Q77.1Confident81.3Confident107 Ų10786 Ų8650%0.544%0.435SS..Hα-helixtrans-64.1-34.9180-69.4-70.8-4600113.5G194 R195 T201 N202G194-Q198 WeakPolarHBondContact O-CG 3.48Å; G194-Q198 PolarHBondContact O-N 3.09Å; R195-Q198 PolarHBondContact O-N 2.68Å; R195-Q198 VanDerWaalsContact O-N 3.08Å; Q198-T201 WeakPolarHBondContact CA-OG1 3.42Å; Q198-T201 PolarHBondContact O-OG1 3.22Å; Q198-N202 WeakPolarHBondContact O-CB 3.44Å; Q198-N202 VanDerWaalsContact O-CG 3.29Å; Q198-N202 PolarHBondContact O-N 3.17Å; Q198-N202 VanDerWaalsContact O-N 3.17Å; Q198-N202 PolarHBondContact O-ND2 3.27Å
199Q79.2Confident80.5Confident103 Ų10392 Ų9248%0.48146%0.458SS..Hα-helixtrans-70-42.5177.1-175.1168.3-27.800110.5R195 Y197 N202 T203R195-Q199 WeakPolarHBondContact O-CB 3.42Å; R195-Q199 PolarHBondContact O-N 3.36Å; Y197-Q199 VanDerWaalsContact C-N 3.34Å; Y197-Q199 PolarHBondContact O-N 3.27Å; Q199-N202 PolarHBondContact O-N 3.01Å; Q199-T203 WeakPolarHBondContact O-CG2 3.47Å; Q199-T203 PolarHBondContact O-N 2.99Å; Q199-T203 PolarHBondContact O-OG1 2.82Å
200S75.5Confident79.5Confident53 Ų5393.3 Ų93.337%0.37146%0.464SS..Hα-helixtrans-57.9-53.3174.2-175.10000111N196 Y197 N202 T203 W204N196-S200 WeakPolarHBondContact O-CB 3.34Å; N196-S200 PolarHBondContact O-N 3.4Å; Y197-S200 WeakPolarHBondContact O-CB 3.33Å; Y197-S200 PolarHBondContact O-N 3.02Å; S200-N202 VanDerWaalsContact C-N 3.29Å; S200-N202 PolarHBondContact O-N 3.03Å; S200-T203 WeakPolarHBondContact CA-OG1 3.48Å; S200-T203 PolarHBondContact O-N 3.25Å; S200-T203 PolarHBondContact O-OG1 3.16Å; S200-W204 PolarHBondContact O-N 3.39Å; S200-W204 PolarHBondContact OG-NE1 2.97Å
201T77.1Confident78.7Confident52 Ų5296.8 Ų96.832%0.31948%0.478SS..Hα-helixtrans-59-38.6-179.757.50000113Y197 Q198 W204 S205Y197-T201 HydrophobicContact CD1-CG2 4.29Å; Y197-T201 HydrophobicContact CE1-CG2 3.91Å; Y197-T201 WeakPolarHBondContact O-CG2 3.35Å; Y197-T201 PolarHBondContact O-N 2.8Å; Y197-T201 PolarHBondContact O-OG1 3.06Å; Q198-T201 WeakPolarHBondContact CA-OG1 3.42Å; Q198-T201 PolarHBondContact O-OG1 3.22Å; T201-W204 PolarHBondContact O-N 3.43Å; T201-S205 WeakPolarHBondContact O-CB 3.48Å; T201-S205 PolarHBondContact O-N 3.24Å
202N78.5Confident78Confident91 Ų91102.4 Ų102.449%0.48751%0.508SS..Hα-helixtrans-67.2-37.3175.5-77-45.2000112.9Q198 Q199 S200 K206Q198-N202 WeakPolarHBondContact O-CB 3.44Å; Q198-N202 VanDerWaalsContact O-CG 3.29Å; Q198-N202 PolarHBondContact O-N 3.17Å; Q198-N202 VanDerWaalsContact O-N 3.17Å; Q198-N202 PolarHBondContact O-ND2 3.27Å; Q199-N202 PolarHBondContact O-N 3.01Å; S200-N202 VanDerWaalsContact C-N 3.29Å; S200-N202 PolarHBondContact O-N 3.03Å; N202-K206 WeakPolarHBondContact O-CB 3.42Å; N202-K206 WeakPolarHBondContact O-CG 3.45Å; N202-K206 PolarHBondContact O-N 2.97Å
203T77.8Confident77.4Confident78 Ų78104.1 Ų104.148%0.47953%0.525SS..Hα-helixtrans-67.4-42.2175.249.70000112.2Q199 S200 K206 S207Q199-T203 WeakPolarHBondContact O-CG2 3.47Å; Q199-T203 PolarHBondContact O-N 2.99Å; Q199-T203 PolarHBondContact O-OG1 2.82Å; S200-T203 WeakPolarHBondContact CA-OG1 3.48Å; S200-T203 PolarHBondContact O-N 3.25Å; S200-T203 PolarHBondContact O-OG1 3.16Å; T203-K206 PolarHBondContact O-N 3.49Å; T203-S207 WeakPolarHBondContact O-CB 3.49Å; T203-S207 PolarHBondContact O-N 3Å
204W69.4Low76.6Confident175 Ų175105.6 Ų105.666%0.66354%0.535SS*.Hα-helixtrans-61.6-46.1174.3-71.6105.9000111.4S200 T201 K206 S207 Q208S200-W204 PolarHBondContact O-N 3.39Å; S200-W204 PolarHBondContact OG-NE1 2.97Å; T201-W204 PolarHBondContact O-N 3.43Å; W204-K206 PolarHBondContact O-N 2.96Å; W204-S207 PolarHBondContact O-N 3.38Å; W204-Q208 WeakPolarHBondContact O-CG 3.37Å; W204-Q208 PolarHBondContact O-N 3Å
205S76.3Confident75.7Confident53 Ų53112.4 Ų112.437%0.37157%0.571SS.*Hα-helixtrans-62.6-39.6177.6-178.10000112.9T201 Q208 K209T201-S205 WeakPolarHBondContact O-CB 3.48Å; T201-S205 PolarHBondContact O-N 3.24Å; S205-Q208 PolarHBondContact O-N 3.48Å; S205-K209 WeakPolarHBondContact O-CG 3.48Å; S205-K209 PolarHBondContact O-N 3.05Å
206K77.6Confident75.5Confident141 Ų141112.4 Ų112.461%0.61358%0.578SS**Hα-helixtrans-65.8-41.4174.4-77.9-177.8-179.8-174.50112.3N202 T203 W204 K209 M210N202-K206 WeakPolarHBondContact O-CB 3.42Å; N202-K206 WeakPolarHBondContact O-CG 3.45Å; N202-K206 PolarHBondContact O-N 2.97Å; T203-K206 PolarHBondContact O-N 3.49Å; W204-K206 PolarHBondContact O-N 2.96Å; K206-K209 PolarHBondContact O-N 3.06Å; K206-M210 HydrophobicContact CB-CE 4.37Å; K206-M210 WeakPolarHBondContact O-CG 3.46Å; K206-M210 PolarHBondContact O-N 3.48Å
207S77.3Confident75.3Confident68 Ų68112.7 Ų112.748%0.47658%0.578SS.*Hα-helixtrans-61.8-43.8176.2-179.70000111.8T203 W204 K209 M210 H211T203-S207 WeakPolarHBondContact O-CB 3.49Å; T203-S207 PolarHBondContact O-N 3Å; W204-S207 PolarHBondContact O-N 3.38Å; S207-K209 PolarHBondContact O-N 3.39Å; S207-M210 PolarHBondContact O-N 3.5Å; S207-H211 PolarHBondContact O-N 3.14Å
208Q77Confident75.3Confident132 Ų132110.1 Ų110.162%0.61758%0.575SS**Hα-helixtrans-63.4-40.3175.4-71.9-174.5-5300113W204 S205 M210 H211 N212W204-Q208 WeakPolarHBondContact O-CG 3.37Å; W204-Q208 PolarHBondContact O-N 3Å; S205-Q208 PolarHBondContact O-N 3.48Å; Q208-M210 VanDerWaalsContact C-N 3.34Å; Q208-M210 PolarHBondContact O-N 3.35Å; Q208-H211 PolarHBondContact O-N 3.49Å; Q208-N212 PolarHBondContact O-N 3.26Å; Q208-N212 VanDerWaalsContact O-N 3.11Å
209K77.2Confident75.2Confident146 Ų146110.2 Ų110.264%0.63558%0.58SS**Hα-helixtrans-62.7-40.2174.7-76.4-176.5-179.8-173.70112.3S205 K206 S207 N212 T213S205-K209 WeakPolarHBondContact O-CG 3.48Å; S205-K209 PolarHBondContact O-N 3.05Å; K206-K209 PolarHBondContact O-N 3.06Å; S207-K209 PolarHBondContact O-N 3.39Å; K209-N212 PolarHBondContact O-N 3.38Å; K209-T213 PolarHBondContact O-N 3.4Å; K209-T213 PolarHBondContact O-OG1 2.8Å
210M72.8Confident75Confident125 Ų125110.7 Ų110.762%0.61659%0.586SS**Hα-helixtrans-63.8-44.1176.8-74.5-174.3-88.800111.6K206 S207 Q208 N212 T213 T214K206-M210 HydrophobicContact CB-CE 4.37Å; K206-M210 WeakPolarHBondContact O-CG 3.46Å; K206-M210 PolarHBondContact O-N 3.48Å; S207-M210 PolarHBondContact O-N 3.5Å; Q208-M210 VanDerWaalsContact C-N 3.34Å; Q208-M210 PolarHBondContact O-N 3.35Å; M210-N212 VanDerWaalsContact C-N 3.31Å; M210-N212 PolarHBondContact O-N 3.11Å; M210-T213 PolarHBondContact O-N 3.06Å; M210-T214 PolarHBondContact O-OG1 3.37Å
211H74.3Confident74.9Confident126 Ų126114.5 Ų114.558%0.58360%0.6SS**Hα-helixtrans-61.4-37.1177.1-171.3-74.3000112.9S207 Q208 T213 T214S207-H211 PolarHBondContact O-N 3.14Å; Q208-H211 PolarHBondContact O-N 3.49Å; H211-T213 VanDerWaalsContact C-N 3.29Å; H211-T213 PolarHBondContact O-N 3.18Å; H211-T214 PolarHBondContact O-OG1 3.4Å; H211-T214 VanDerWaalsContact O-OG1 3.14Å
212N76.2Confident74.8Confident126 Ų126119 Ų11967%0.67462%0.62SS**Hα-helixtrans-75.2-11.9178.8-76.98.4000114.4Q208 K209 M210Q208-N212 PolarHBondContact O-N 3.26Å; Q208-N212 VanDerWaalsContact O-N 3.11Å; K209-N212 PolarHBondContact O-N 3.38Å; M210-N212 VanDerWaalsContact C-N 3.31Å; M210-N212 PolarHBondContact O-N 3.11Å
213T75.6Confident74.5Confident116 Ų116121.2 Ų121.271%0.71263%0.631SS**Hα-helixtrans-96.7-14.8-178.9-410000112.4K209 M210 H211K209-T213 PolarHBondContact O-N 3.4Å; K209-T213 PolarHBondContact O-OG1 2.8Å; M210-T213 PolarHBondContact O-N 3.06Å; H211-T213 VanDerWaalsContact C-N 3.29Å; H211-T213 PolarHBondContact O-N 3.18Å
214T72.7Confident74.2Confident120 Ų120124.8 Ų124.874%0.73664%0.643SS**  trans-94.40.2-178.948.60000114.4M210 H211M210-T214 PolarHBondContact O-OG1 3.37Å; H211-T214 PolarHBondContact O-OG1 3.4Å; H211-T214 VanDerWaalsContact O-OG1 3.14Å
215V64.1Low74.6Confident169 Ų169120.2 Ų120.2100%1.02464%0.641SS**  trans-1040174.2-175.10000108.5

Retrieved 215 of 215 residues in 160.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).