A0A077Z785_TRITR Loading...

Sodium/potassium-transporting ATPase subunit beta-1-interacting protein

AlphaFold DB , UniProt , Accession A0A077Z785, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 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
1M57.1Low84Confident188 Ų18889.5 Ų89.593%0.92643%0.432SS*.  0-49.50-68.9179179.200113.3F3 S4M1-F3 PolarHBondContact O-N 2.87Å; M1-S4 PolarHBondContact O-OG 3.02Å
2L62.9Low85Confident98 Ų9882 Ų8251%0.51340%0.396SS..Hα-helixtrans-62-37.8-170.1-68.7172000116.2R5 R6L2-R5 PolarHBondContact O-N 2.99Å; L2-R6 WeakPolarHBondContact O-CB 3.45Å; L2-R6 WeakPolarHBondContact O-CG 3.38Å; L2-R6 PolarHBondContact O-N 2.78Å
3F72.8Confident85.8Confident169 Ų16981.8 Ų81.874%0.74140%0.402SS*.Hα-helixtrans-60.3-51.6-172.9-172.3-100.6000113M1 R5 R6 V7M1-F3 PolarHBondContact O-N 2.87Å; F3-R5 PolarHBondContact O-N 2.87Å; F3-R6 PolarHBondContact O-N 2.97Å; F3-V7 HydrophobicContact CD1-CG2 4.28Å; F3-V7 HydrophobicContact CE1-CG2 3.95Å; F3-V7 HydrophobicContact CE2-CG2 4.4Å; F3-V7 HydrophobicContact CZ-CG2 4.02Å; F3-V7 WeakPolarHBondContact O-CG2 3.34Å; F3-V7 PolarHBondContact O-N 3.41Å
4S84.7Confident86.5Confident46 Ų4681.6 Ų81.632%0.32241%0.408SS..Hα-helixtrans-60.2-46178.651.60000112.2M1 R6 V7 V8M1-S4 PolarHBondContact O-OG 3.02Å; S4-R6 VanDerWaalsContact C-N 3.34Å; S4-R6 PolarHBondContact O-N 2.92Å; S4-V7 PolarHBondContact O-N 2.96Å; S4-V8 WeakPolarHBondContact O-CG2 3.46Å; S4-V8 PolarHBondContact O-N 3.23Å
5R88.8Confident87.1Confident93 Ų9376.3 Ų76.335%0.35138%0.381SS..Hα-helixtrans-62.2-39.6177.8-164.6171.671.5159.3-0.6112.3L2 F3 L9 V52 A53 F158L2-R5 PolarHBondContact O-N 2.99Å; F3-R5 PolarHBondContact O-N 2.87Å; R5-L9 HydrophobicContact CG-CD1 4.12Å; R5-L9 HydrophobicContact CG-CG 4.49Å; R5-L9 WeakPolarHBondContact O-CB 3.34Å; R5-L9 VanDerWaalsContact O-CG 3.27Å; R5-L9 WeakPolarHBondContact O-CG 3.45Å; R5-L9 PolarHBondContact O-N 3.14Å; R5-V52 WeakPolarHBondContact CD-O 3.29Å; R5-V52 HydrophobicContact CG-CG1 3.91Å; R5-A53 PolarHBondContact NH1-O 2.96Å; R5-F158 HydrophobicContact CB-CE2 3.93Å; R5-F158 HydrophobicContact CG-CE2 3.9Å; R5-F158 HydrophobicContact CG-CZ 4.37Å
6R91.1Very high87.7Confident159 Ų15973.8 Ų73.860%0.637%0.369SS*.Hα-helixtrans-63.7-46.8175.8-75.4177.1178.9177.6-0.6111.6L2 F3 S4 V8 L9 I10L2-R6 WeakPolarHBondContact O-CB 3.45Å; L2-R6 WeakPolarHBondContact O-CG 3.38Å; L2-R6 PolarHBondContact O-N 2.78Å; F3-R6 PolarHBondContact O-N 2.97Å; S4-R6 VanDerWaalsContact C-N 3.34Å; S4-R6 PolarHBondContact O-N 2.92Å; R6-V8 PolarHBondContact O-N 3.24Å; R6-L9 PolarHBondContact O-N 2.98Å; R6-I10 WeakPolarHBondContact O-CB 3.4Å; R6-I10 WeakPolarHBondContact O-CD1 3.46Å; R6-I10 VanDerWaalsContact O-CG1 3.25Å; R6-I10 WeakPolarHBondContact O-CG1 3.29Å; R6-I10 PolarHBondContact O-N 2.91Å
7V92.3Very high88.2Confident54 Ų5473.1 Ų73.133%0.32738%0.378SS..Hα-helixtrans-61.6-43.8178.4172.60000111.5F3 S4 I10 A11 L154F3-V7 HydrophobicContact CD1-CG2 4.28Å; F3-V7 HydrophobicContact CE1-CG2 3.95Å; F3-V7 HydrophobicContact CE2-CG2 4.4Å; F3-V7 HydrophobicContact CZ-CG2 4.02Å; F3-V7 WeakPolarHBondContact O-CG2 3.34Å; F3-V7 PolarHBondContact O-N 3.41Å; S4-V7 PolarHBondContact O-N 2.96Å; V7-I10 PolarHBondContact O-N 2.98Å; V7-A11 WeakPolarHBondContact O-CB 3.42Å; V7-A11 PolarHBondContact O-N 3.45Å; V7-L154 HydrophobicContact CG1-CD1 4.23Å; V7-L154 HydrophobicContact CG1-CD2 4.04Å
8V92.7Very high88.6Confident3 Ų372.3 Ų72.32%0.01837%0.374CS..Hα-helixtrans-63.5-45.8176.9-176.20000111.1S4 R6 I10 A11 V12 V52 L154 I155 F158S4-V8 WeakPolarHBondContact O-CG2 3.46Å; S4-V8 PolarHBondContact O-N 3.23Å; R6-V8 PolarHBondContact O-N 3.24Å; V8-I10 PolarHBondContact O-N 3.34Å; V8-A11 PolarHBondContact O-N 2.94Å; V8-V12 HydrophobicContact CG1-CG2 4.39Å; V8-V12 WeakPolarHBondContact O-CG2 3.49Å; V8-V12 PolarHBondContact O-N 3.01Å; V8-V52 HydrophobicContact CB-CG1 4.17Å; V8-V52 HydrophobicContact CG1-CG1 3.96Å; V8-V52 HydrophobicContact CG1-CG2 3.7Å; V8-L154 HydrophobicContact CG2-CB 4.02Å; V8-I155 HydrophobicContact CG1-CG1 4.11Å; V8-F158 HydrophobicContact CG2-CB 3.99Å; V8-F158 HydrophobicContact CG2-CD2 4.41Å; V8-F158 HydrophobicContact CG2-CG 4.45Å
9L93.4Very high88.9Confident47 Ų4768.5 Ų68.525%0.24635%0.354CS..Hα-helixtrans-61.1-42.6177.3-73.6170000112.2R5 R6 V12 V13 L49 V52R5-L9 HydrophobicContact CG-CD1 4.12Å; R5-L9 HydrophobicContact CG-CG 4.49Å; R5-L9 WeakPolarHBondContact O-CB 3.34Å; R5-L9 VanDerWaalsContact O-CG 3.27Å; R5-L9 WeakPolarHBondContact O-CG 3.45Å; R5-L9 PolarHBondContact O-N 3.14Å; R6-L9 PolarHBondContact O-N 2.98Å; L9-V12 PolarHBondContact O-N 3.32Å; L9-V13 WeakPolarHBondContact O-CB 3.29Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.26Å; L9-L49 HydrophobicContact CD2-CD2 4.23Å; L9-V52 HydrophobicContact CD2-CB 3.94Å; L9-V52 HydrophobicContact CD2-CG1 3.71Å; L9-V52 HydrophobicContact CG-CG1 3.75Å
10I94.1Very high89.3Confident109 Ų10968.5 Ų68.556%0.55936%0.357SS*.Hα-helixtrans-61.8-45.8176.2-69.1163000110.4R6 V7 V8 V12 V13 V14R6-I10 WeakPolarHBondContact O-CB 3.4Å; R6-I10 WeakPolarHBondContact O-CD1 3.46Å; R6-I10 VanDerWaalsContact O-CG1 3.25Å; R6-I10 WeakPolarHBondContact O-CG1 3.29Å; R6-I10 PolarHBondContact O-N 2.91Å; V7-I10 PolarHBondContact O-N 2.98Å; V8-I10 PolarHBondContact O-N 3.34Å; I10-V12 PolarHBondContact O-N 2.94Å; I10-V13 PolarHBondContact O-N 3.24Å; I10-V14 HydrophobicContact CG2-CG2 4.48Å; I10-V14 WeakPolarHBondContact O-CG2 3.43Å; I10-V14 PolarHBondContact O-N 2.97Å
11A94.7Very high89.5Confident18 Ų1867.4 Ų67.415%0.14936%0.358CS..Hα-helixtrans-62.8-41.3178.400000112.7V7 V8 V14 N15 V151 L154V7-A11 WeakPolarHBondContact O-CB 3.42Å; V7-A11 PolarHBondContact O-N 3.45Å; V8-A11 PolarHBondContact O-N 2.94Å; A11-V14 PolarHBondContact O-N 2.89Å; A11-N15 WeakPolarHBondContact O-CB 3.23Å; A11-N15 PolarHBondContact O-N 2.98Å; A11-V151 HydrophobicContact CB-CG2 4.12Å; A11-L154 HydrophobicContact CB-CD1 3.49Å; A11-L154 VanDerWaalsContact CB-CD1 3.49Å
12V95Very high91.2Very high0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-67-40.7175.7177.40000111.3V8 L9 I10 N15 L16 L45 A48 L49 V151V8-V12 HydrophobicContact CG1-CG2 4.39Å; V8-V12 WeakPolarHBondContact O-CG2 3.49Å; V8-V12 PolarHBondContact O-N 3.01Å; L9-V12 PolarHBondContact O-N 3.32Å; I10-V12 PolarHBondContact O-N 2.94Å; V12-N15 PolarHBondContact O-N 3.28Å; V12-L16 VanDerWaalsContact O-CB 3.31Å; V12-L16 WeakPolarHBondContact O-CB 3.18Å; V12-L16 PolarHBondContact O-N 3.49Å; V12-L45 HydrophobicContact CG1-CD2 4.41Å; V12-A48 HydrophobicContact CG1-CB 3.98Å; V12-A48 HydrophobicContact CG2-CB 4.42Å; V12-L49 HydrophobicContact CB-CD2 3.99Å; V12-L49 HydrophobicContact CG1-CD2 3.53Å; V12-L49 HydrophobicContact CG1-CG 3.69Å; V12-V151 HydrophobicContact CG2-CG1 3.93Å
13V95.6Very high92.6Very high79 Ų7955 Ų5548%0.47930%0.295SS..Hα-helixtrans-64.1-40.1175.4169.70000111.8L9 I10 L16 A17 L49L9-V13 WeakPolarHBondContact O-CB 3.29Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.26Å; I10-V13 PolarHBondContact O-N 3.24Å; V13-L16 PolarHBondContact O-N 2.89Å; V13-A17 PolarHBondContact O-N 2.93Å; V13-L49 HydrophobicContact CG2-CD2 3.85Å
14V95.9Very high93.5Very high79 Ų7950.6 Ų50.648%0.47928%0.282SS..Hα-helixtrans-64.7-45.2174.3170.40000111I10 A11 L16 A17 L18I10-V14 HydrophobicContact CG2-CG2 4.48Å; I10-V14 WeakPolarHBondContact O-CG2 3.43Å; I10-V14 PolarHBondContact O-N 2.97Å; A11-V14 PolarHBondContact O-N 2.89Å; V14-L16 VanDerWaalsContact C-N 3.3Å; V14-L16 PolarHBondContact O-N 3.07Å; V14-A17 PolarHBondContact O-N 3.42Å; V14-L18 HydrophobicContact CG1-CD1 4.29Å; V14-L18 WeakPolarHBondContact O-CG 3.29Å; V14-L18 PolarHBondContact O-N 3.43Å
15N95.8Very high93.6Very high2 Ų251.3 Ų51.31%0.01128%0.279CS..Hα-helixtrans-67.3-31.1177.7-158.931.7000112.5A11 V12 T19 L45 S147 V151A11-N15 WeakPolarHBondContact O-CB 3.23Å; A11-N15 PolarHBondContact O-N 2.98Å; V12-N15 PolarHBondContact O-N 3.28Å; N15-T19 WeakPolarHBondContact O-CB 3.46Å; N15-T19 PolarHBondContact O-N 3.21Å; N15-T19 PolarHBondContact O-OG1 3.18Å; N15-L45 HydrophobicContact CB-CD2 4.34Å; N15-S147 WeakPolarHBondContact OD1-CB 3.39Å; N15-S147 PolarHBondContact OD1-OG 3.21Å; N15-V151 HydrophobicContact CB-CG2 3.93Å
16L95.9Very high93.6Very high36 Ų3647 Ų4719%0.18826%0.263CS..Hα-helixtrans-64.4-47.4171.2-172.576.5000110.8V12 V13 V14 L18 T19 V20 L42 L45 V46 L49V12-L16 VanDerWaalsContact O-CB 3.31Å; V12-L16 WeakPolarHBondContact O-CB 3.18Å; V12-L16 PolarHBondContact O-N 3.49Å; V13-L16 PolarHBondContact O-N 2.89Å; V14-L16 VanDerWaalsContact C-N 3.3Å; V14-L16 PolarHBondContact O-N 3.07Å; L16-L18 PolarHBondContact O-N 3.4Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 VanDerWaalsContact O-N 3.14Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.19Å; L16-L42 HydrophobicContact CD1-CD1 3.65Å; L16-L45 HydrophobicContact CD1-CB 3.73Å; L16-L45 HydrophobicContact CD1-CD1 4.48Å; L16-V46 HydrophobicContact CD1-CG2 4.29Å; L16-L49 HydrophobicContact CD2-CD1 3.98Å
17A96.1Very high93.4Very high62 Ų6244.6 Ų44.651%0.51226%0.257SS..Hα-helixtrans-61.3-41.5177.100000112.4V13 V14 V20 A21V13-A17 PolarHBondContact O-N 2.93Å; V14-A17 PolarHBondContact O-N 3.42Å; A17-V20 PolarHBondContact O-N 2.93Å; A17-A21 WeakPolarHBondContact O-CB 3.18Å; A17-A21 PolarHBondContact O-N 3.19Å
18L95.7Very high92.9Very high59 Ų5946.2 Ų46.231%0.30926%0.263SS..Hα-helixtrans-61.6-42.5172.3-69.3172000111.9V14 L16 A21 R22 V143V14-L18 HydrophobicContact CG1-CD1 4.29Å; V14-L18 WeakPolarHBondContact O-CG 3.29Å; V14-L18 PolarHBondContact O-N 3.43Å; L16-L18 PolarHBondContact O-N 3.4Å; L18-A21 PolarHBondContact O-N 2.84Å; L18-R22 PolarHBondContact O-N 2.88Å; L18-V143 HydrophobicContact CD1-CG1 4.26Å
19T95.2Very high92Very high0 Ų046.2 Ų46.20%026%0.264CS..Hα-helixtrans-68.6-38.3-179.9-57.20000111.9N15 L16 R22 E23 T38 N41 L42 L45N15-T19 WeakPolarHBondContact O-CB 3.46Å; N15-T19 PolarHBondContact O-N 3.21Å; N15-T19 PolarHBondContact O-OG1 3.18Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 VanDerWaalsContact O-N 3.14Å; T19-R22 PolarHBondContact O-N 2.8Å; T19-E23 WeakPolarHBondContact O-CB 3.41Å; T19-E23 PolarHBondContact O-N 3.12Å; T19-T38 HydrophobicContact CG2-CG2 3.96Å; T19-N41 WeakPolarHBondContact CG2-ND2 3.41Å; T19-N41 PolarHBondContact OG1-ND2 3.34Å; T19-L42 HydrophobicContact CG2-CB 4.33Å; T19-L42 HydrophobicContact CG2-CD1 4.35Å; T19-L45 HydrophobicContact CG2-CD1 4.2Å; T19-L45 WeakPolarHBondContact OG1-CD1 3.42Å
20V95.6Very high91.1Very high69 Ų6951.8 Ų51.842%0.41828%0.282SS..Hα-helixtrans-65.4-40.3172.6171.80000111.2L16 A17 R22 E23 V24 L42L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.19Å; A17-V20 PolarHBondContact O-N 2.93Å; V20-R22 VanDerWaalsContact C-N 3.35Å; V20-E23 PolarHBondContact O-N 3.49Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.03Å; V20-V24 VanDerWaalsContact O-N 3.12Å; V20-L42 HydrophobicContact CG2-CD1 3.59Å
21A94Very high90.4Very high45 Ų4546.6 Ų46.637%0.37226%0.256SS..Hα-helixtrans-62.2-43173.800000111.5A17 L18 V24 F25A17-A21 WeakPolarHBondContact O-CB 3.18Å; A17-A21 PolarHBondContact O-N 3.19Å; L18-A21 PolarHBondContact O-N 2.84Å; A21-V24 PolarHBondContact O-N 3.01Å; A21-F25 WeakPolarHBondContact O-CD2 3.44Å; A21-F25 PolarHBondContact O-N 3.34Å
22R92.2Very high89.8Confident9 Ų952.2 Ų52.23%0.03427%0.273CS..Hα-helixtrans-60-49.8174.3-176.8178.2-179.892.549.2111.9L18 T19 V20 V24 F25 D26 T38 E137L18-R22 PolarHBondContact O-N 2.88Å; T19-R22 PolarHBondContact O-N 2.8Å; V20-R22 VanDerWaalsContact C-N 3.35Å; R22-V24 VanDerWaalsContact C-N 3.25Å; R22-V24 PolarHBondContact O-N 3.3Å; R22-F25 CarbonylContact O-C 3.58Å; R22-F25 PolarHBondContact O-N 3.36Å; R22-D26 WeakPolarHBondContact CG-OD2 3.45Å; R22-D26 IonicContact CZ-OD1 3.76Å; R22-D26 IonicContact CZ-OD2 3.94Å; R22-D26 IonicContact NE-OD1 3.66Å; R22-D26 IonicContact NE-OD2 3.13Å; R22-D26 PolarHBondContact NE-OD2 3.37Å; R22-D26 VanDerWaalsContact NE-OD2 3.13Å; R22-D26 IonicContact NH2-OD1 2.97Å; R22-D26 PolarHBondContact NH2-OD1 3.08Å; R22-D26 IonicContact NH2-OD2 3.82Å; R22-D26 PolarHBondContact O-N 3.46Å; R22-T38 HydrophobicContact CB-CG2 4.41Å; R22-T38 HydrophobicContact CG-CG2 4.27Å; R22-E137 IonicContact NH2-OE2 3.92Å
23E93.4Very high89.3Confident16 Ų1656.4 Ų56.48%0.07529%0.292CS..Hα-helixtrans-54.4-41.5178.9-177.873.9163.400111.7T19 V20 F25 D26 F27 T38T19-E23 WeakPolarHBondContact O-CB 3.41Å; T19-E23 PolarHBondContact O-N 3.12Å; V20-E23 PolarHBondContact O-N 3.49Å; E23-F25 PolarHBondContact O-N 2.92Å; E23-D26 PolarHBondContact O-N 2.92Å; E23-F27 HydrophobicContact CG-CD2 3.84Å; E23-F27 HydrophobicContact CG-CE2 3.6Å; E23-F27 WeakPolarHBondContact O-CB 3.42Å; E23-F27 WeakPolarHBondContact O-CD2 3.43Å; E23-F27 PolarHBondContact O-N 3.29Å; E23-F27 WeakPolarHBondContact OE1-CE2 3.32Å; E23-T38 HydrophobicContact CB-CG2 3.85Å; E23-T38 VanDerWaalsContact OE2-CB 3.28Å; E23-T38 WeakPolarHBondContact OE2-CB 3.25Å; E23-T38 WeakPolarHBondContact OE2-CG2 3.31Å
24V91.9Very high88.8Confident77 Ų7752.7 Ų52.747%0.46727%0.269SS..Hα-helixtrans-63.7-39.4175.9171.40000112.1V20 A21 R22 L28V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.03Å; V20-V24 VanDerWaalsContact O-N 3.12Å; A21-V24 PolarHBondContact O-N 3.01Å; R22-V24 VanDerWaalsContact C-N 3.25Å; R22-V24 PolarHBondContact O-N 3.3Å; V24-L28 HydrophobicContact CG1-CD1 4.22Å; V24-L28 WeakPolarHBondContact O-CB 3.44Å; V24-L28 VanDerWaalsContact O-CG 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.48Å; V24-L28 PolarHBondContact O-N 3.38Å
25F87.4Confident88.4Confident61 Ų6150 Ų5027%0.26825%0.252SS..Hα-helixtrans-73.9-36175-67.1-61.1000113.1A21 R22 E23 L28 S29 W105 W106A21-F25 WeakPolarHBondContact O-CD2 3.44Å; A21-F25 PolarHBondContact O-N 3.34Å; R22-F25 CarbonylContact O-C 3.58Å; R22-F25 PolarHBondContact O-N 3.36Å; E23-F25 PolarHBondContact O-N 2.92Å; F25-L28 HydrophobicContact CD1-CD1 4.15Å; F25-L28 PolarHBondContact O-N 3.24Å; F25-S29 WeakPolarHBondContact O-CB 3.3Å; F25-S29 PolarHBondContact O-N 3.31Å; F25-S29 VanDerWaalsContact O-N 3.13Å; F25-S29 PolarHBondContact O-OG 3.11Å; F25-W105 HydrophobicContact CD1-CD2 4.4Å; F25-W105 AromaticContact CD1-CE3 3.96Å; F25-W105 HydrophobicContact CD1-CE3 3.96Å; F25-W105 AromaticContact CE1-CE3 3.91Å; F25-W105 HydrophobicContact CE1-CE3 3.91Å; F25-W105 AromaticContact CE1-CZ3 3.98Å; F25-W105 HydrophobicContact CE1-CZ3 3.98Å; F25-W106 HydrophobicContact CD1-CZ2 4.29Å; F25-W106 HydrophobicContact CD2-CZ2 4.49Å; F25-W106 HydrophobicContact CE1-CH2 4.43Å; F25-W106 AromaticContact CE1-CZ2 3.92Å; F25-W106 HydrophobicContact CE1-CZ2 3.92Å; F25-W106 HydrophobicContact CE2-CZ2 4.15Å; F25-W106 HydrophobicContact CZ-CH2 4.32Å; F25-W106 AromaticContact CZ-CZ2 3.85Å; F25-W106 HydrophobicContact CZ-CZ2 3.85Å
26D86.9Confident88.2Confident2 Ų255 Ų551%0.01128%0.277CS..Hα-helixtrans-63.9-42174.6-71.5-21.7000109.7R22 E23 S29 Y30 L31 P34 I35 T38R22-D26 WeakPolarHBondContact CG-OD2 3.45Å; R22-D26 IonicContact CZ-OD1 3.76Å; R22-D26 IonicContact CZ-OD2 3.94Å; R22-D26 IonicContact NE-OD1 3.66Å; R22-D26 IonicContact NE-OD2 3.13Å; R22-D26 PolarHBondContact NE-OD2 3.37Å; R22-D26 VanDerWaalsContact NE-OD2 3.13Å; R22-D26 IonicContact NH2-OD1 2.97Å; R22-D26 PolarHBondContact NH2-OD1 3.08Å; R22-D26 IonicContact NH2-OD2 3.82Å; R22-D26 PolarHBondContact O-N 3.46Å; E23-D26 PolarHBondContact O-N 2.92Å; D26-S29 PolarHBondContact O-N 2.86Å; D26-Y30 PolarHBondContact O-N 3.42Å; D26-L31 PolarHBondContact O-N 3.03Å; D26-P34 HydrophobicContact CB-CB 4.31Å; D26-I35 HydrophobicContact CB-CG1 3.88Å; D26-T38 PolarHBondContact OD2-OG1 2.97Å
27F87.1Confident88Confident110 Ų11054.9 Ų54.948%0.48228%0.277SS..Hα-helixtrans-61.1-47.2170.8-86.7-56.3000113.3E23 S29 Y30 I35E23-F27 HydrophobicContact CG-CD2 3.84Å; E23-F27 HydrophobicContact CG-CE2 3.6Å; E23-F27 WeakPolarHBondContact O-CB 3.42Å; E23-F27 WeakPolarHBondContact O-CD2 3.43Å; E23-F27 PolarHBondContact O-N 3.29Å; E23-F27 WeakPolarHBondContact OE1-CE2 3.32Å; F27-S29 PolarHBondContact O-N 3.19Å; F27-S29 VanDerWaalsContact O-N 3.12Å; F27-Y30 PolarHBondContact O-N 3.19Å; F27-Y30 VanDerWaalsContact O-N 3.13Å; F27-I35 HydrophobicContact CD1-CD1 3.95Å; F27-I35 HydrophobicContact CD1-CG1 4.4Å; F27-I35 HydrophobicContact CD1-CG2 4.42Å; F27-I35 HydrophobicContact CE1-CD1 4.36Å; F27-I35 HydrophobicContact CE1-CG2 3.9Å; F27-I35 HydrophobicContact CZ-CG2 4.07Å
28L83.5Confident87.9Confident87 Ų8752 Ų5246%0.45525%0.253SS..Hα-helixtrans-60.9-19.1176.7-77.5168.2000113.2V24 F25 W105V24-L28 HydrophobicContact CG1-CD1 4.22Å; V24-L28 WeakPolarHBondContact O-CB 3.44Å; V24-L28 VanDerWaalsContact O-CG 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.48Å; V24-L28 PolarHBondContact O-N 3.38Å; F25-L28 HydrophobicContact CD1-CD1 4.15Å; F25-L28 PolarHBondContact O-N 3.24Å; L28-W105 HydrophobicContact CB-CB 4.06Å; L28-W105 HydrophobicContact CB-CG 4.02Å; L28-W105 HydrophobicContact CD1-CG 4.3Å
29S72.6Confident87.8Confident3 Ų353.7 Ų53.72%0.02126%0.258CS..THydrogen-bonded Turntrans-98.2-9.3-179.5-53.70000113.8F25 D26 F27 L31 S104 W105F25-S29 WeakPolarHBondContact O-CB 3.3Å; F25-S29 PolarHBondContact O-N 3.31Å; F25-S29 VanDerWaalsContact O-N 3.13Å; F25-S29 PolarHBondContact O-OG 3.11Å; D26-S29 PolarHBondContact O-N 2.86Å; F27-S29 PolarHBondContact O-N 3.19Å; F27-S29 VanDerWaalsContact O-N 3.12Å; S29-L31 VanDerWaalsContact CB-CD1 3.47Å; S29-L31 PolarHBondContact O-N 3.4Å; S29-S104 WeakPolarHBondContact OG-CA 3.37Å; S29-W105 PolarHBondContact OG-N 3.44Å
30Y75Confident87.7Confident164 Ų16456.3 Ų56.364%0.64328%0.276SS*.THydrogen-bonded Turntrans55.429.3-172.5-60.4-89000114.4D26 F27 W32D26-Y30 PolarHBondContact O-N 3.42Å; F27-Y30 PolarHBondContact O-N 3.19Å; F27-Y30 VanDerWaalsContact O-N 3.13Å; Y30-W32 PolarHBondContact O-N 3.25Å
31L80.1Confident87.7Confident1 Ų153.2 Ų53.21%0.00526%0.257CS..  trans-80.182.5-176.5-78.6168000111.4D26 S29 F33 P34 I35 L96 N97D26-L31 PolarHBondContact O-N 3.03Å; S29-L31 VanDerWaalsContact CB-CD1 3.47Å; S29-L31 PolarHBondContact O-N 3.4Å; L31-F33 VanDerWaalsContact C-N 3.34Å; L31-F33 PolarHBondContact O-N 3.3Å; L31-P34 HydrophobicContact CB-CB 3.98Å; L31-P34 HydrophobicContact CB-CG 3.82Å; L31-P34 HydrophobicContact CD1-CG 4.43Å; L31-P34 VanDerWaalsContact O-CD 3.31Å; L31-P34 WeakPolarHBondContact O-CD 3.43Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.37Å; L31-L96 HydrophobicContact CD2-CB 4.32Å; L31-L96 HydrophobicContact CD2-CD2 3.88Å; L31-L96 HydrophobicContact CD2-CG 3.96Å; L31-N97 WeakPolarHBondContact CD2-ND2 3.4Å; L31-N97 WeakPolarHBondContact CD2-OD1 3.31Å
32W81.5Confident87.7Confident135 Ų13552.9 Ų52.951%0.51125%0.249SC..Hα-helixtrans-48.2-45.6-174-72.796.9000115.2Y30 M36Y30-W32 PolarHBondContact O-N 3.25Å; W32-M36 HydrophobicContact CE3-CE 4.47Å; W32-M36 VanDerWaalsContact O-CG 3.27Å; W32-M36 WeakPolarHBondContact O-CG 3.27Å; W32-M36 PolarHBondContact O-N 2.87Å
33F83.6Confident87.9Confident88 Ų8856.7 Ų56.739%0.38627%0.269SS..Hα-helixtrans-70.6-50.7-179.5-77.8-77.1000112.7L31 I35 M36 V37 W73 W95 L96 W98L31-F33 VanDerWaalsContact C-N 3.34Å; L31-F33 PolarHBondContact O-N 3.3Å; F33-I35 PolarHBondContact O-N 2.92Å; F33-M36 PolarHBondContact O-N 3.12Å; F33-V37 WeakPolarHBondContact O-CG2 3.48Å; F33-V37 PolarHBondContact O-N 3.03Å; F33-V37 VanDerWaalsContact O-N 3.12Å; F33-W73 HydrophobicContact CB-CH2 4.35Å; F33-W95 WeakPolarHBondContact CD2-O 3.37Å; F33-W95 VanDerWaalsContact CE2-O 3.23Å; F33-W95 WeakPolarHBondContact CE2-O 3.29Å; F33-L96 HydrophobicContact CB-CD1 4.28Å; F33-L96 PolarHBondContact N-O 2.91Å; F33-W98 AromaticContact CE2-CE3 3.85Å; F33-W98 HydrophobicContact CE2-CE3 3.85Å; F33-W98 AromaticContact CZ-CE3 3.75Å; F33-W98 HydrophobicContact CZ-CE3 3.75Å; F33-W98 HydrophobicContact CZ-CZ3 4.05Å
34P85.4Confident88Confident1 Ų156.4 Ų56.41%0.00627%0.27CS..Hα-helixtrans-50.2-48.8170-34.439.2000114.3D26 L31 M36 V37 T38 W73 L96D26-P34 HydrophobicContact CB-CB 4.31Å; L31-P34 HydrophobicContact CB-CB 3.98Å; L31-P34 HydrophobicContact CB-CG 3.82Å; L31-P34 HydrophobicContact CD1-CG 4.43Å; L31-P34 VanDerWaalsContact O-CD 3.31Å; L31-P34 WeakPolarHBondContact O-CD 3.43Å; P34-M36 VanDerWaalsContact C-N 3.32Å; P34-M36 PolarHBondContact O-N 2.96Å; P34-V37 PolarHBondContact O-N 2.92Å; P34-T38 VanDerWaalsContact O-CB 3.28Å; P34-T38 WeakPolarHBondContact O-CB 3.46Å; P34-T38 PolarHBondContact O-N 3.27Å; P34-T38 PolarHBondContact O-OG1 2.83Å; P34-W73 HydrophobicContact CG-CZ2 4.45Å; P34-L96 HydrophobicContact CG-CD1 3.82Å; P34-L96 HydrophobicContact CG-CD2 4.04Å; P34-L96 HydrophobicContact CG-CG 3.79Å
35I88.4Confident88.1Confident22 Ų2253.1 Ų53.111%0.11325%0.249CC..Hα-helixtrans-54.2-47.9177.2-64.7163.4000110.7D26 F27 L31 F33 V37 T38 F39D26-I35 HydrophobicContact CB-CG1 3.88Å; F27-I35 HydrophobicContact CD1-CD1 3.95Å; F27-I35 HydrophobicContact CD1-CG1 4.4Å; F27-I35 HydrophobicContact CD1-CG2 4.42Å; F27-I35 HydrophobicContact CE1-CD1 4.36Å; F27-I35 HydrophobicContact CE1-CG2 3.9Å; F27-I35 HydrophobicContact CZ-CG2 4.07Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.37Å; F33-I35 PolarHBondContact O-N 2.92Å; I35-V37 PolarHBondContact O-N 3.5Å; I35-T38 PolarHBondContact O-N 3.32Å; I35-F39 WeakPolarHBondContact O-CB 3.25Å; I35-F39 PolarHBondContact O-N 2.88Å
36M90.8Very high88.5Confident109 Ų10952.9 Ų52.954%0.53725%0.253SS..Hα-helixtrans-63.8-39.4-179-69-70.4169.700113.2W32 F33 P34 C40W32-M36 HydrophobicContact CE3-CE 4.47Å; W32-M36 VanDerWaalsContact O-CG 3.27Å; W32-M36 WeakPolarHBondContact O-CG 3.27Å; W32-M36 PolarHBondContact O-N 2.87Å; F33-M36 PolarHBondContact O-N 3.12Å; P34-M36 VanDerWaalsContact C-N 3.32Å; P34-M36 PolarHBondContact O-N 2.96Å; M36-C40 PolarHBondContact O-N 3.45Å; M36-C40 PolarHBondContact O-SG 2.92Å; M36-C40 VanDerWaalsContact O-SG 3.36Å
37V91.9Very high88.8Confident33 Ų3356 Ų5620%0.227%0.269CS..Hα-helixtrans-79.1-37.1-179.7-170.50000111.5F33 P34 I35 C40 N41 W70 W73F33-V37 WeakPolarHBondContact O-CG2 3.48Å; F33-V37 PolarHBondContact O-N 3.03Å; F33-V37 VanDerWaalsContact O-N 3.12Å; P34-V37 PolarHBondContact O-N 2.92Å; I35-V37 PolarHBondContact O-N 3.5Å; V37-C40 PolarHBondContact O-N 3.4Å; V37-N41 PolarHBondContact O-N 2.91Å; V37-W70 HydrophobicContact CG1-CE3 3.98Å; V37-W70 HydrophobicContact CG1-CZ3 3.94Å; V37-W73 HydrophobicContact CB-CD2 4.32Å; V37-W73 HydrophobicContact CB-CG 4.43Å; V37-W73 HydrophobicContact CB-CZ2 4.32Å; V37-W73 HydrophobicContact CG1-CB 4.37Å; V37-W73 HydrophobicContact CG1-CD2 4.04Å; V37-W73 HydrophobicContact CG1-CG 3.77Å; V37-W73 HydrophobicContact CG2-CD2 4.17Å; V37-W73 HydrophobicContact CG2-CH2 4.26Å; V37-W73 HydrophobicContact CG2-CZ2 3.87Å
38T93Very high89.1Confident0 Ų050.8 Ų50.80%025%0.246CC..Hα-helixtrans-64-40.8174-61.30000110.8T19 R22 E23 D26 P34 I35 N41 L42 W70T19-T38 HydrophobicContact CG2-CG2 3.96Å; R22-T38 HydrophobicContact CB-CG2 4.41Å; R22-T38 HydrophobicContact CG-CG2 4.27Å; E23-T38 HydrophobicContact CB-CG2 3.85Å; E23-T38 VanDerWaalsContact OE2-CB 3.28Å; E23-T38 WeakPolarHBondContact OE2-CB 3.25Å; E23-T38 WeakPolarHBondContact OE2-CG2 3.31Å; D26-T38 PolarHBondContact OD2-OG1 2.97Å; P34-T38 VanDerWaalsContact O-CB 3.28Å; P34-T38 WeakPolarHBondContact O-CB 3.46Å; P34-T38 PolarHBondContact O-N 3.27Å; P34-T38 PolarHBondContact O-OG1 2.83Å; I35-T38 PolarHBondContact O-N 3.32Å; T38-N41 CarbonylContact O-C 3.59Å; T38-N41 WeakPolarHBondContact O-CB 3.47Å; T38-N41 PolarHBondContact O-N 3.4Å; T38-L42 PolarHBondContact O-N 3.33Å; T38-W70 HydrophobicContact CG2-CH2 4.45Å
39F93.7Very high89.6Confident96 Ų9648.6 Ų48.642%0.42124%0.235SC..Hα-helixtrans-61.1-45.7172.4-178.1-99.4000113I35 N41 L42 L43I35-F39 WeakPolarHBondContact O-CB 3.25Å; I35-F39 PolarHBondContact O-N 2.88Å; F39-N41 VanDerWaalsContact C-N 3.27Å; F39-N41 PolarHBondContact O-N 3.4Å; F39-L42 WeakPolarHBondContact O-CB 3.49Å; F39-L42 PolarHBondContact O-N 3.08Å; F39-L42 VanDerWaalsContact O-N 3.14Å; F39-L43 HydrophobicContact CD1-CD1 4.18Å; F39-L43 HydrophobicContact CE1-CD1 3.69Å; F39-L43 HydrophobicContact CE1-CG 4.18Å; F39-L43 HydrophobicContact CZ-CD1 4.27Å; F39-L43 HydrophobicContact CZ-CD2 4.41Å; F39-L43 HydrophobicContact CZ-CG 4.4Å; F39-L43 PolarHBondContact O-N 3.49Å
40C94.5Very high90.6Very high54 Ų5453.7 Ų53.737%0.36526%0.257SS..Hα-helixtrans-61.3-36.5174.2-72.80000112.3M36 V37 L43 A44 W66M36-C40 PolarHBondContact O-N 3.45Å; M36-C40 PolarHBondContact O-SG 2.92Å; M36-C40 VanDerWaalsContact O-SG 3.36Å; V37-C40 PolarHBondContact O-N 3.4Å; C40-L43 PolarHBondContact O-N 2.99Å; C40-A44 PolarHBondContact O-N 3.44Å; C40-W66 HydrophobicContact CB-CH2 3.5Å; C40-W66 HydrophobicContact CB-CZ2 3.52Å; C40-W66 HydrophobicContact CB-CZ3 4.49Å
41N95.2Very high91.3Very high4 Ų445.9 Ų45.92%0.02123%0.227CC..Hα-helixtrans-69.1-35.7173.3-172.562.1000113.1T19 V37 T38 F39 L43 A44 L45 W66 W70T19-N41 WeakPolarHBondContact CG2-ND2 3.41Å; T19-N41 PolarHBondContact OG1-ND2 3.34Å; V37-N41 PolarHBondContact O-N 2.91Å; T38-N41 CarbonylContact O-C 3.59Å; T38-N41 WeakPolarHBondContact O-CB 3.47Å; T38-N41 PolarHBondContact O-N 3.4Å; F39-N41 VanDerWaalsContact C-N 3.27Å; F39-N41 PolarHBondContact O-N 3.4Å; N41-L43 VanDerWaalsContact C-N 3.35Å; N41-A44 PolarHBondContact O-N 3.41Å; N41-L45 WeakPolarHBondContact O-CG 3.42Å; N41-L45 PolarHBondContact O-N 3.31Å; N41-W66 PolarHBondContact OD1-NE1 2.96Å; N41-W70 HydrophobicContact CB-CD2 3.76Å; N41-W70 HydrophobicContact CB-CE3 3.59Å; N41-W70 HydrophobicContact CB-CG 4.4Å; N41-W70 HydrophobicContact CB-CH2 4.16Å; N41-W70 HydrophobicContact CB-CZ2 4.32Å; N41-W70 HydrophobicContact CB-CZ3 3.8Å; N41-W70 VanDerWaalsContact CG-CD2 3.42Å; N41-W70 VanDerWaalsContact ND2-CE2 3.32Å
42L94.8Very high91.8Very high38 Ų3845.9 Ų45.920%0.19923%0.226CC..Hα-helixtrans-60-45.1173-172.671.2000110.9L16 T19 V20 T38 F39 L45 V46L16-L42 HydrophobicContact CD1-CD1 3.65Å; T19-L42 HydrophobicContact CG2-CB 4.33Å; T19-L42 HydrophobicContact CG2-CD1 4.35Å; V20-L42 HydrophobicContact CG2-CD1 3.59Å; T38-L42 PolarHBondContact O-N 3.33Å; F39-L42 WeakPolarHBondContact O-CB 3.49Å; F39-L42 PolarHBondContact O-N 3.08Å; F39-L42 VanDerWaalsContact O-N 3.14Å; L42-L45 PolarHBondContact O-N 3Å; L42-V46 WeakPolarHBondContact O-CG2 3.32Å; L42-V46 PolarHBondContact O-N 3.38Å
43L95.2Very high92.2Very high89 Ų8941.6 Ų41.647%0.46622%0.22SC..Hα-helixtrans-60.2-46.3173.4-66.4177.6000111.8F39 C40 N41 L45 V46 L47F39-L43 HydrophobicContact CD1-CD1 4.18Å; F39-L43 HydrophobicContact CE1-CD1 3.69Å; F39-L43 HydrophobicContact CE1-CG 4.18Å; F39-L43 HydrophobicContact CZ-CD1 4.27Å; F39-L43 HydrophobicContact CZ-CD2 4.41Å; F39-L43 HydrophobicContact CZ-CG 4.4Å; F39-L43 PolarHBondContact O-N 3.49Å; C40-L43 PolarHBondContact O-N 2.99Å; N41-L43 VanDerWaalsContact C-N 3.35Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 3.25Å; L43-V46 PolarHBondContact O-N 2.94Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.41Å
44A94.9Very high92.4Very high11 Ų1142.5 Ų42.59%0.09123%0.225CC..Hα-helixtrans-60.3-38.6177.600000112.5C40 N41 L47 A48 V63 W66C40-A44 PolarHBondContact O-N 3.44Å; N41-A44 PolarHBondContact O-N 3.41Å; A44-L47 PolarHBondContact O-N 2.97Å; A44-A48 WeakPolarHBondContact O-CB 3.4Å; A44-A48 PolarHBondContact O-N 3.27Å; A44-V63 WeakPolarHBondContact O-CG2 3.15Å; A44-W66 HydrophobicContact CB-CB 4.3Å; A44-W66 HydrophobicContact CB-CD2 4.38Å; A44-W66 HydrophobicContact CB-CG 3.74Å
45L95.4Very high92.3Very high7 Ų744.6 Ų44.64%0.03724%0.24CC..Hα-helixtrans-70.8-33.4176.5-70.1171.4000113V12 N15 L16 T19 N41 L42 L43 A48 L49V12-L45 HydrophobicContact CG1-CD2 4.41Å; N15-L45 HydrophobicContact CB-CD2 4.34Å; L16-L45 HydrophobicContact CD1-CB 3.73Å; L16-L45 HydrophobicContact CD1-CD1 4.48Å; T19-L45 HydrophobicContact CG2-CD1 4.2Å; T19-L45 WeakPolarHBondContact OG1-CD1 3.42Å; N41-L45 WeakPolarHBondContact O-CG 3.42Å; N41-L45 PolarHBondContact O-N 3.31Å; L42-L45 PolarHBondContact O-N 3Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 3.25Å; L45-A48 WeakPolarHBondContact O-CB 3.47Å; L45-A48 PolarHBondContact O-N 3.21Å; L45-L49 PolarHBondContact O-N 2.94Å
46V94.8Very high92.2Very high57 Ų5750.7 Ų50.735%0.34526%0.262SS..Hα-helixtrans-65.9-43170.5171.30000110.9L16 L42 L43 A48 L49 F50L16-V46 HydrophobicContact CD1-CG2 4.29Å; L42-V46 WeakPolarHBondContact O-CG2 3.32Å; L42-V46 PolarHBondContact O-N 3.38Å; L43-V46 PolarHBondContact O-N 2.94Å; V46-A48 VanDerWaalsContact C-N 3.28Å; V46-A48 PolarHBondContact O-N 3.38Å; V46-L49 PolarHBondContact O-N 3.45Å; V46-F50 HydrophobicContact CG1-CD2 3.97Å; V46-F50 HydrophobicContact CG1-CE2 3.64Å; V46-F50 VanDerWaalsContact O-CD2 3.23Å; V46-F50 WeakPolarHBondContact O-CD2 3.46Å; V46-F50 PolarHBondContact O-N 3.15Å
47L94.2Very high92Very high67 Ų6749.5 Ų49.535%0.35126%0.264SS..Hα-helixtrans-61.8-35.5172.2-66.6176000112L43 A44 F50 G51 L59 V63L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.41Å; A44-L47 PolarHBondContact O-N 2.97Å; L47-F50 PolarHBondContact O-N 3.47Å; L47-G51 PolarHBondContact O-N 3.05Å; L47-L59 HydrophobicContact CD2-CD2 4.4Å; L47-V63 HydrophobicContact CB-CG2 4.23Å
48A92.8Very high92Very high0 Ų054 Ų540%029%0.286CS..Hα-helixtrans-63.8-42.9174.700000112.1V12 A44 L45 V46 G51 V52 V63V12-A48 HydrophobicContact CG1-CB 3.98Å; V12-A48 HydrophobicContact CG2-CB 4.42Å; A44-A48 WeakPolarHBondContact O-CB 3.4Å; A44-A48 PolarHBondContact O-N 3.27Å; L45-A48 WeakPolarHBondContact O-CB 3.47Å; L45-A48 PolarHBondContact O-N 3.21Å; V46-A48 VanDerWaalsContact C-N 3.28Å; V46-A48 PolarHBondContact O-N 3.38Å; A48-G51 PolarHBondContact O-N 3.15Å; A48-V52 VanDerWaalsContact O-CG2 3.32Å; A48-V52 WeakPolarHBondContact O-CG2 3.34Å; A48-V52 PolarHBondContact O-N 3.31Å; A48-V63 HydrophobicContact CB-CG1 3.92Å; A48-V63 HydrophobicContact CB-CG2 3.96Å
49L93.3Very high92Very high42 Ų4255.9 Ų55.922%0.2230%0.296CS..Hα-helixtrans-58.7-48.4174.6-72.7177.1000111.6L9 V12 V13 L16 L45 V46 V52 A53L9-L49 HydrophobicContact CD2-CD2 4.23Å; V12-L49 HydrophobicContact CB-CD2 3.99Å; V12-L49 HydrophobicContact CG1-CD2 3.53Å; V12-L49 HydrophobicContact CG1-CG 3.69Å; V13-L49 HydrophobicContact CG2-CD2 3.85Å; L16-L49 HydrophobicContact CD2-CD1 3.98Å; L45-L49 PolarHBondContact O-N 2.94Å; V46-L49 PolarHBondContact O-N 3.45Å; L49-V52 PolarHBondContact O-N 2.98Å; L49-A53 WeakPolarHBondContact O-CB 3.43Å; L49-A53 PolarHBondContact O-N 3.03Å
50F93.3Very high91.9Very high110 Ų11051.4 Ų51.448%0.48228%0.276SS..Hα-helixtrans-65.3-39.9177-71-62.1000112.5V46 L47 A53 Q54 L59V46-F50 HydrophobicContact CG1-CD2 3.97Å; V46-F50 HydrophobicContact CG1-CE2 3.64Å; V46-F50 VanDerWaalsContact O-CD2 3.23Å; V46-F50 WeakPolarHBondContact O-CD2 3.46Å; V46-F50 PolarHBondContact O-N 3.15Å; L47-F50 PolarHBondContact O-N 3.47Å; F50-A53 PolarHBondContact O-N 3.41Å; F50-Q54 WeakPolarHBondContact O-CB 3.39Å; F50-Q54 PolarHBondContact O-N 3.18Å; F50-L59 HydrophobicContact CB-CD1 4.29Å
51G91.5Very high91.7Very high0 Ų051.3 Ų51.30%028%0.28CS..Hα-helixtrans-60.5-44.7176.400000113.1L47 A48 S55 R56L47-G51 PolarHBondContact O-N 3.05Å; A48-G51 PolarHBondContact O-N 3.15Å; G51-S55 CarbonylContact O-C 3.59Å; G51-S55 WeakPolarHBondContact O-CA 3.31Å; G51-S55 PolarHBondContact O-N 3.05Å; G51-R56 PolarHBondContact O-N 3.33Å
52V90.4Very high91.7Very high0 Ų055.3 Ų55.30%030%0.3CS..Hα-helixtrans-75.8-34.2178.1179.50000111.8R5 V8 L9 A48 L49 L60 F158R5-V52 WeakPolarHBondContact CD-O 3.29Å; R5-V52 HydrophobicContact CG-CG1 3.91Å; V8-V52 HydrophobicContact CB-CG1 4.17Å; V8-V52 HydrophobicContact CG1-CG1 3.96Å; V8-V52 HydrophobicContact CG1-CG2 3.7Å; L9-V52 HydrophobicContact CD2-CB 3.94Å; L9-V52 HydrophobicContact CD2-CG1 3.71Å; L9-V52 HydrophobicContact CG-CG1 3.75Å; A48-V52 VanDerWaalsContact O-CG2 3.32Å; A48-V52 WeakPolarHBondContact O-CG2 3.34Å; A48-V52 PolarHBondContact O-N 3.31Å; L49-V52 PolarHBondContact O-N 2.98Å; V52-L60 HydrophobicContact CG2-CD2 3.75Å; V52-F158 HydrophobicContact CG1-CZ 4.42Å
53A88.8Confident91.6Very high46 Ų4653.7 Ų53.738%0.3829%0.292SS..Hα-helixtrans-67.7-46.3177.300000112.4R5 L49 F50R5-A53 PolarHBondContact NH1-O 2.96Å; L49-A53 WeakPolarHBondContact O-CB 3.43Å; L49-A53 PolarHBondContact O-N 3.03Å; F50-A53 PolarHBondContact O-N 3.41Å
54Q88.7Confident91.6Very high106 Ų10651.7 Ų51.750%0.49528%0.281SS..Hα-helixtrans-93.9-2.1-177.5-57.5-17319.200114.1F50 R56F50-Q54 WeakPolarHBondContact O-CB 3.39Å; F50-Q54 PolarHBondContact O-N 3.18Å; Q54-R56 HydrophobicContact CB-CG 4.04Å; Q54-R56 PolarHBondContact O-N 2.93Å
55S81.8Confident91.6Very high45 Ų4558.3 Ų58.332%0.31531%0.308SS..THydrogen-bonded Turntrans5428.1-172.9-58.30000114.8G51 S57G51-S55 CarbonylContact O-C 3.59Å; G51-S55 WeakPolarHBondContact O-CA 3.31Å; G51-S55 PolarHBondContact O-N 3.05Å; S55-S57 PolarHBondContact O-N 2.91Å
56R87.3Confident91.6Very high150 Ų15061 Ų6157%0.56632%0.318SS*.  trans-76.6105.1179.1-71.1-170.3-172.5-134.10.6110.5G51 Q54 L58 L59 L60G51-R56 PolarHBondContact O-N 3.33Å; Q54-R56 HydrophobicContact CB-CG 4.04Å; Q54-R56 PolarHBondContact O-N 2.93Å; R56-L58 VanDerWaalsContact C-N 3.32Å; R56-L58 PolarHBondContact O-N 3.14Å; R56-L59 HydrophobicContact CB-CB 4.47Å; R56-L59 HydrophobicContact CB-CD1 4.14Å; R56-L59 HydrophobicContact CB-CG 4.17Å; R56-L59 PolarHBondContact O-N 2.83Å; R56-L60 PolarHBondContact O-N 3.4Å
57S86.3Confident91.6Very high84 Ų8459.2 Ų59.259%0.58731%0.306SS*.Hα-helixtrans-52.1-44.3179.749.20000113.5S55 L59 L60 A61S55-S57 PolarHBondContact O-N 2.91Å; S57-L59 PolarHBondContact O-N 3.41Å; S57-L60 CarbonylContact O-C 3.52Å; S57-L60 PolarHBondContact O-N 3.35Å; S57-L60 VanDerWaalsContact O-N 3.08Å; S57-A61 PolarHBondContact O-N 2.86Å
58L91.4Very high91.6Very high128 Ų12859.5 Ų59.567%0.6731%0.312SS*.Hα-helixtrans-58.8-42.2-179-173.865000113.1R56 L60 A61 I62R56-L58 VanDerWaalsContact C-N 3.32Å; R56-L58 PolarHBondContact O-N 3.14Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 3.19Å; L58-A61 PolarHBondContact O-N 3.45Å; L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.89Å; L58-I62 VanDerWaalsContact O-N 3.15Å
59L93.1Very high91.7Very high40 Ų4063.2 Ų63.221%0.20933%0.332CS..Hα-helixtrans-65.2-38176.1-64.3-178000111.4L47 F50 R56 S57 V63L47-L59 HydrophobicContact CD2-CD2 4.4Å; F50-L59 HydrophobicContact CB-CD1 4.29Å; R56-L59 HydrophobicContact CB-CB 4.47Å; R56-L59 HydrophobicContact CB-CD1 4.14Å; R56-L59 HydrophobicContact CB-CG 4.17Å; R56-L59 PolarHBondContact O-N 2.83Å; S57-L59 PolarHBondContact O-N 3.41Å; L59-V63 WeakPolarHBondContact O-CG2 3.36Å; L59-V63 PolarHBondContact O-N 3.47Å; L59-V63 VanDerWaalsContact O-N 3.15Å
60L91.5Very high91.8Very high1 Ų161.3 Ų61.31%0.00532%0.321CS..Hα-helixtrans-71.6-31.6177.6-61.7175.2000112.1V52 R56 S57 L58 V63 L64 I155 F158 L159V52-L60 HydrophobicContact CG2-CD2 3.75Å; R56-L60 PolarHBondContact O-N 3.4Å; S57-L60 CarbonylContact O-C 3.52Å; S57-L60 PolarHBondContact O-N 3.35Å; S57-L60 VanDerWaalsContact O-N 3.08Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 3.19Å; L60-V63 PolarHBondContact O-N 3.5Å; L60-L64 WeakPolarHBondContact O-CB 3.32Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 2.86Å; L60-I155 HydrophobicContact CB-CG2 4.21Å; L60-I155 HydrophobicContact CD2-CG2 4.14Å; L60-F158 HydrophobicContact CD1-CD1 4Å; L60-F158 HydrophobicContact CD1-CE1 3.96Å; L60-L159 HydrophobicContact CB-CD1 4.22Å; L60-L159 HydrophobicContact CB-CD2 4.2Å; L60-L159 HydrophobicContact CD1-CD2 3.68Å; L60-L159 HydrophobicContact CD1-CG 4.27Å
61A91.7Very high91.9Very high52 Ų5258 Ų5843%0.4331%0.309SS..Hα-helixtrans-65-46.4173.600000111.8S57 L58 V63 L64 F65S57-A61 PolarHBondContact O-N 2.86Å; L58-A61 PolarHBondContact O-N 3.45Å; A61-V63 VanDerWaalsContact C-N 3.32Å; A61-V63 PolarHBondContact O-N 3.27Å; A61-L64 PolarHBondContact O-N 3.34Å; A61-F65 PolarHBondContact O-N 2.92Å
62I94.1Very high92Very high89 Ų8963.5 Ų63.546%0.45634%0.337SS..Hα-helixtrans-58.6-44.2175.1-65.1164.5000110.7L58 F65 W66L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.89Å; L58-I62 VanDerWaalsContact O-N 3.15Å; I62-F65 PolarHBondContact O-N 2.9Å; I62-W66 PolarHBondContact O-N 2.94Å
63V94.1Very high92.2Very high4 Ų465.9 Ų65.92%0.02435%0.346CS..Hα-helixtrans-64.9-39.4176.71700000112.1A44 L47 A48 L59 L60 A61 F65 W66 I67 I155A44-V63 WeakPolarHBondContact O-CG2 3.15Å; L47-V63 HydrophobicContact CB-CG2 4.23Å; A48-V63 HydrophobicContact CB-CG1 3.92Å; A48-V63 HydrophobicContact CB-CG2 3.96Å; L59-V63 WeakPolarHBondContact O-CG2 3.36Å; L59-V63 PolarHBondContact O-N 3.47Å; L59-V63 VanDerWaalsContact O-N 3.15Å; L60-V63 PolarHBondContact O-N 3.5Å; A61-V63 VanDerWaalsContact C-N 3.32Å; A61-V63 PolarHBondContact O-N 3.27Å; V63-F65 VanDerWaalsContact C-N 3.31Å; V63-F65 PolarHBondContact O-N 3.47Å; V63-W66 PolarHBondContact O-N 3.44Å; V63-I67 HydrophobicContact CG1-CD1 3.9Å; V63-I67 HydrophobicContact CG1-CG1 4.37Å; V63-I67 WeakPolarHBondContact O-CG1 3.35Å; V63-I67 PolarHBondContact O-N 2.94Å; V63-I155 HydrophobicContact CG1-CD1 3.88Å
64L93.9Very high92.4Very high46 Ų4663.7 Ų63.724%0.24133%0.328CS..Hα-helixtrans-68-28.7176.2-75.7177.1000113.3L60 A61 I67 P68 I155 I156 L159L60-L64 WeakPolarHBondContact O-CB 3.32Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 2.86Å; A61-L64 PolarHBondContact O-N 3.34Å; L64-I67 HydrophobicContact CD2-CD1 4.45Å; L64-P68 WeakPolarHBondContact O-CD 3.22Å; L64-I155 HydrophobicContact CD1-CG2 4.06Å; L64-I155 HydrophobicContact CD2-CB 4.17Å; L64-I155 HydrophobicContact CD2-CG2 3.88Å; L64-I155 HydrophobicContact CG-CG2 3.88Å; L64-I156 HydrophobicContact CD1-CG1 4.01Å; L64-I156 HydrophobicContact CD2-CD1 4.2Å; L64-I156 HydrophobicContact CD2-CG1 3.74Å; L64-L159 HydrophobicContact CD1-CD1 3.58Å
65F95Very high92.6Very high151 Ų15161.9 Ų61.966%0.66232%0.324SS*.Hα-helixtrans-73.2-34.7169.3179.8-99.3000112.3A61 I62 V63 P68 L69A61-F65 PolarHBondContact O-N 2.92Å; I62-F65 PolarHBondContact O-N 2.9Å; V63-F65 VanDerWaalsContact C-N 3.31Å; V63-F65 PolarHBondContact O-N 3.47Å; F65-P68 VanDerWaalsContact O-CD 3.32Å; F65-P68 WeakPolarHBondContact O-CD 3.41Å; F65-P68 VanDerWaalsContact O-CG 3.31Å; F65-P68 WeakPolarHBondContact O-CG 3.25Å; F65-L69 HydrophobicContact CD1-CD1 4.32Å; F65-L69 HydrophobicContact CE1-CD1 3.86Å; F65-L69 HydrophobicContact CZ-CD1 4.39Å
66W95.8Very high92.9Very high64 Ų6464 Ų6424%0.24233%0.328CS..Hα-helixtrans-71.5-39.6178.2-175.5-98000113.9C40 N41 A44 I62 V63 L69 W70C40-W66 HydrophobicContact CB-CH2 3.5Å; C40-W66 HydrophobicContact CB-CZ2 3.52Å; C40-W66 HydrophobicContact CB-CZ3 4.49Å; N41-W66 PolarHBondContact OD1-NE1 2.96Å; A44-W66 HydrophobicContact CB-CB 4.3Å; A44-W66 HydrophobicContact CB-CD2 4.38Å; A44-W66 HydrophobicContact CB-CG 3.74Å; I62-W66 PolarHBondContact O-N 2.94Å; V63-W66 PolarHBondContact O-N 3.44Å; W66-L69 HydrophobicContact CE3-CD1 4.2Å; W66-L69 HydrophobicContact CZ3-CD1 4.44Å; W66-L69 WeakPolarHBondContact O-CB 3.37Å; W66-L69 PolarHBondContact O-N 2.87Å; W66-W70 PolarHBondContact O-N 3.23Å
67I94.4Very high92.9Very high18 Ų1857 Ų579%0.09230%0.301CS..Hα-helixtrans-51.9-47.4-177.5-76.1167.2000114.4V63 L64 L69 W70 I71 V151 I155V63-I67 HydrophobicContact CG1-CD1 3.9Å; V63-I67 HydrophobicContact CG1-CG1 4.37Å; V63-I67 WeakPolarHBondContact O-CG1 3.35Å; V63-I67 PolarHBondContact O-N 2.94Å; L64-I67 HydrophobicContact CD2-CD1 4.45Å; I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 PolarHBondContact O-N 2.97Å; I67-W70 PolarHBondContact O-N 3.3Å; I67-I71 HydrophobicContact CG2-CD1 3.74Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 2.97Å; I67-V151 HydrophobicContact CD1-CG1 4.39Å; I67-I155 HydrophobicContact CD1-CD1 4.31Å
68P95.1Very high93.1Very high73 Ų7353.8 Ų53.847%0.47428%0.278SS..Hα-helixtrans-65.8-31.8176.824.9-34.4000113.4L64 F65 I71 L72L64-P68 WeakPolarHBondContact O-CD 3.22Å; F65-P68 VanDerWaalsContact O-CD 3.32Å; F65-P68 WeakPolarHBondContact O-CD 3.41Å; F65-P68 VanDerWaalsContact O-CG 3.31Å; F65-P68 WeakPolarHBondContact O-CG 3.25Å; P68-I71 PolarHBondContact O-N 2.84Å; P68-L72 VanDerWaalsContact O-CB 3.3Å; P68-L72 WeakPolarHBondContact O-CB 3.21Å; P68-L72 PolarHBondContact O-N 3.22Å
69L95.2Very high93Very high79 Ų7949.9 Ų49.941%0.41426%0.261SS..Hα-helixtrans-66.5-42.4174.2-60.4174.8000111.1F65 W66 I67 L72 W73F65-L69 HydrophobicContact CD1-CD1 4.32Å; F65-L69 HydrophobicContact CE1-CD1 3.86Å; F65-L69 HydrophobicContact CZ-CD1 4.39Å; W66-L69 HydrophobicContact CE3-CD1 4.2Å; W66-L69 HydrophobicContact CZ3-CD1 4.44Å; W66-L69 WeakPolarHBondContact O-CB 3.37Å; W66-L69 PolarHBondContact O-N 2.87Å; I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 PolarHBondContact O-N 2.97Å; L69-L72 PolarHBondContact O-N 3.45Å; L69-W73 PolarHBondContact O-N 2.9Å
70W95Very high92.5Very high1 Ų148.3 Ų48.30%0.00425%0.253CS..Hα-helixtrans-68-37176.1177.7-111.6000113.1V37 T38 N41 W66 I67 W73 N74 S148V37-W70 HydrophobicContact CG1-CE3 3.98Å; V37-W70 HydrophobicContact CG1-CZ3 3.94Å; T38-W70 HydrophobicContact CG2-CH2 4.45Å; N41-W70 HydrophobicContact CB-CD2 3.76Å; N41-W70 HydrophobicContact CB-CE3 3.59Å; N41-W70 HydrophobicContact CB-CG 4.4Å; N41-W70 HydrophobicContact CB-CH2 4.16Å; N41-W70 HydrophobicContact CB-CZ2 4.32Å; N41-W70 HydrophobicContact CB-CZ3 3.8Å; N41-W70 VanDerWaalsContact CG-CD2 3.42Å; N41-W70 VanDerWaalsContact ND2-CE2 3.32Å; W66-W70 PolarHBondContact O-N 3.23Å; I67-W70 PolarHBondContact O-N 3.3Å; W70-W73 AromaticContact CZ3-CD1 3.78Å; W70-W73 PolarHBondContact O-N 3.48Å; W70-N74 WeakPolarHBondContact CZ2-ND2 3.22Å; W70-N74 PolarHBondContact O-N 2.94Å; W70-N74 VanDerWaalsContact O-N 3.12Å; W70-N74 PolarHBondContact O-ND2 2.87Å; W70-S148 PolarHBondContact NE1-OG 3.27Å
71I94.9Very high92.2Very high42 Ų4248.5 Ų48.522%0.21525%0.254CS..Hα-helixtrans-64.4-46.5171.8-69.3167.4000110.1I67 P68 W73 N74 V75I67-I71 HydrophobicContact CG2-CD1 3.74Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 2.97Å; P68-I71 PolarHBondContact O-N 2.84Å; I71-W73 VanDerWaalsContact C-N 3.29Å; I71-W73 PolarHBondContact O-N 3.21Å; I71-N74 PolarHBondContact O-N 3.37Å; I71-V75 HydrophobicContact CG2-CG2 4.32Å; I71-V75 WeakPolarHBondContact O-CG2 3.35Å; I71-V75 PolarHBondContact O-N 3.49Å
72L94.4Very high91.9Very high115 Ų11549.7 Ų49.760%0.60225%0.252SS*.Hα-helixtrans-57.9-40.9176.9179.861.7000111.9P68 L69 V75 F76P68-L72 VanDerWaalsContact O-CB 3.3Å; P68-L72 WeakPolarHBondContact O-CB 3.21Å; P68-L72 PolarHBondContact O-N 3.22Å; L69-L72 PolarHBondContact O-N 3.45Å; L72-V75 PolarHBondContact O-N 3.42Å; L72-F76 WeakPolarHBondContact O-CB 3.06Å; L72-F76 PolarHBondContact O-N 3.36Å
73W92.8Very high91.3Very high50 Ų5048 Ų4819%0.18925%0.245CC..Hα-helixtrans-62.3-45.3174.9-177.4-112.4000112.9F33 P34 V37 L69 W70 I71 F76 L77 L96F33-W73 HydrophobicContact CB-CH2 4.35Å; P34-W73 HydrophobicContact CG-CZ2 4.45Å; V37-W73 HydrophobicContact CB-CD2 4.32Å; V37-W73 HydrophobicContact CB-CG 4.43Å; V37-W73 HydrophobicContact CB-CZ2 4.32Å; V37-W73 HydrophobicContact CG1-CB 4.37Å; V37-W73 HydrophobicContact CG1-CD2 4.04Å; V37-W73 HydrophobicContact CG1-CG 3.77Å; V37-W73 HydrophobicContact CG2-CD2 4.17Å; V37-W73 HydrophobicContact CG2-CH2 4.26Å; V37-W73 HydrophobicContact CG2-CZ2 3.87Å; L69-W73 PolarHBondContact O-N 2.9Å; W70-W73 AromaticContact CZ3-CD1 3.78Å; W70-W73 PolarHBondContact O-N 3.48Å; I71-W73 VanDerWaalsContact C-N 3.29Å; I71-W73 PolarHBondContact O-N 3.21Å; W73-F76 HydrophobicContact CE3-CD1 4.16Å; W73-F76 HydrophobicContact CZ3-CD1 4.03Å; W73-F76 HydrophobicContact CZ3-CE1 4.24Å; W73-F76 WeakPolarHBondContact O-CB 3.43Å; W73-F76 PolarHBondContact O-N 3.37Å; W73-L77 HydrophobicContact CZ2-CD2 4.48Å; W73-L77 WeakPolarHBondContact O-CG 3.48Å; W73-L77 PolarHBondContact O-N 3.14Å; W73-L96 HydrophobicContact CH2-CD1 4.3Å; W73-L96 HydrophobicContact CZ2-CD1 4.41Å
74N93.8Very high90.5Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-71.4-29.9178.5-76-92.1000112.4W70 I71 T78 A141 H144 C145W70-N74 WeakPolarHBondContact CZ2-ND2 3.22Å; W70-N74 PolarHBondContact O-N 2.94Å; W70-N74 VanDerWaalsContact O-N 3.12Å; W70-N74 PolarHBondContact O-ND2 2.87Å; I71-N74 PolarHBondContact O-N 3.37Å; N74-T78 WeakPolarHBondContact O-CB 3.45Å; N74-T78 PolarHBondContact O-N 3.48Å; N74-T78 PolarHBondContact O-OG1 2.88Å; N74-A141 HydrophobicContact CB-CB 4.35Å; N74-H144 WeakPolarHBondContact OD1-CB 2.93Å; N74-C145 WeakPolarHBondContact CB-SG 3.36Å
75V92.3Very high89.4Confident67 Ų6753.2 Ų53.241%0.40629%0.292SS..Hα-helixtrans-66.9-44.1169171.60000111I71 L72 T78 C79I71-V75 HydrophobicContact CG2-CG2 4.32Å; I71-V75 WeakPolarHBondContact O-CG2 3.35Å; I71-V75 PolarHBondContact O-N 3.49Å; L72-V75 PolarHBondContact O-N 3.42Å; V75-T78 WeakPolarHBondContact O-CB 3.28Å; V75-T78 PolarHBondContact O-N 2.99Å; V75-T78 VanDerWaalsContact O-N 3.11Å; V75-C79 PolarHBondContact O-N 3.21Å; V75-C79 PolarHBondContact O-SG 3.22Å
76F89.6Confident88Confident90 Ų9049.6 Ų49.640%0.39530%0.298SS..Hα-helixtrans-58.4-48.6175172.4-103.7000111.8L72 W73 T78 C79 F80 L87L72-F76 WeakPolarHBondContact O-CB 3.06Å; L72-F76 PolarHBondContact O-N 3.36Å; W73-F76 HydrophobicContact CE3-CD1 4.16Å; W73-F76 HydrophobicContact CZ3-CD1 4.03Å; W73-F76 HydrophobicContact CZ3-CE1 4.24Å; W73-F76 WeakPolarHBondContact O-CB 3.43Å; W73-F76 PolarHBondContact O-N 3.37Å; F76-T78 VanDerWaalsContact C-N 3.27Å; F76-T78 PolarHBondContact O-N 2.99Å; F76-C79 PolarHBondContact O-N 3.19Å; F76-F80 VanDerWaalsContact O-CB 3.29Å; F76-F80 WeakPolarHBondContact O-CB 3.21Å; F76-F80 PolarHBondContact O-N 3.29Å; F76-L87 HydrophobicContact CE2-CD2 4.13Å
77L87.7Confident86.4Confident2 Ų249.1 Ų49.11%0.0130%0.299CS..Hα-helixtrans-58-38.4173.2-70.2175.1000112.2W73 F80 Y81 L96W73-L77 HydrophobicContact CZ2-CD2 4.48Å; W73-L77 WeakPolarHBondContact O-CG 3.48Å; W73-L77 PolarHBondContact O-N 3.14Å; L77-F80 PolarHBondContact O-N 3.47Å; L77-Y81 VanDerWaalsContact O-CD2 3.28Å; L77-Y81 WeakPolarHBondContact O-CD2 3.43Å; L77-Y81 PolarHBondContact O-N 3.37Å; L77-L96 HydrophobicContact CD2-CD1 4.19Å; L77-L96 HydrophobicContact CD2-CD2 4.21Å
78T89.4Confident85Confident17 Ų1751.7 Ų51.710%0.10431%0.314CS..Hα-helixtrans-64.4-46.7177.2-60.10000111.7N74 V75 F76 L82 V138 A141 L142N74-T78 WeakPolarHBondContact O-CB 3.45Å; N74-T78 PolarHBondContact O-N 3.48Å; N74-T78 PolarHBondContact O-OG1 2.88Å; V75-T78 WeakPolarHBondContact O-CB 3.28Å; V75-T78 PolarHBondContact O-N 2.99Å; V75-T78 VanDerWaalsContact O-N 3.11Å; F76-T78 VanDerWaalsContact C-N 3.27Å; F76-T78 PolarHBondContact O-N 2.99Å; T78-L82 HydrophobicContact CG2-CD1 4Å; T78-L82 VanDerWaalsContact O-CG 3.26Å; T78-L82 WeakPolarHBondContact O-CG 3.33Å; T78-L82 PolarHBondContact O-N 2.89Å; T78-V138 HydrophobicContact CG2-CG1 4.15Å; T78-A141 WeakPolarHBondContact OG1-CB 3.41Å; T78-L142 HydrophobicContact CG2-CD2 4.37Å
79C88.8Confident83.6Confident46 Ų4650.4 Ų50.431%0.31130%0.299SS..Hα-helixtrans-63.2-42.6176.6-65.60000112V75 F76 L82 N83 V84V75-C79 PolarHBondContact O-N 3.21Å; V75-C79 PolarHBondContact O-SG 3.22Å; F76-C79 PolarHBondContact O-N 3.19Å; C79-L82 PolarHBondContact O-N 2.85Å; C79-N83 PolarHBondContact O-N 3.32Å; C79-V84 HydrophobicContact CB-CB 4.39Å; C79-V84 PolarHBondContact O-N 2.98Å
80F83.7Confident82.1Confident8 Ų851.4 Ų51.44%0.03531%0.305CS..Hα-helixtrans-56.7-55.2176.1177.3-80.5000111.8F76 L77 L82 N83 L87 D92 L93 L96F76-F80 VanDerWaalsContact O-CB 3.29Å; F76-F80 WeakPolarHBondContact O-CB 3.21Å; F76-F80 PolarHBondContact O-N 3.29Å; L77-F80 PolarHBondContact O-N 3.47Å; F80-L82 PolarHBondContact O-N 3.4Å; F80-L82 VanDerWaalsContact O-N 3.12Å; F80-N83 PolarHBondContact O-N 3.12Å; F80-N83 VanDerWaalsContact O-N 3.08Å; F80-L87 HydrophobicContact CB-CD2 4.46Å; F80-L87 HydrophobicContact CD2-CD2 4.19Å; F80-D92 HydrophobicContact CD2-CB 4.46Å; F80-D92 HydrophobicContact CE2-CB 3.63Å; F80-D92 HydrophobicContact CZ-CB 4.21Å; F80-L93 HydrophobicContact CE1-CD2 4.23Å; F80-L93 HydrophobicContact CE1-CG 4.22Å; F80-L93 HydrophobicContact CZ-CD2 4.34Å; F80-L93 HydrophobicContact CZ-CG 4.16Å; F80-L96 HydrophobicContact CE1-CD2 4.25Å; F80-L96 HydrophobicContact CZ-CD2 4.32Å
81Y83.9Confident80.2Confident4 Ų453.6 Ų53.62%0.01632%0.323CS..Hα-helixtrans-67.1-13.9-179.3-83-66.9000114L77 R89 Y133 E137L77-Y81 VanDerWaalsContact O-CD2 3.28Å; L77-Y81 WeakPolarHBondContact O-CD2 3.43Å; L77-Y81 PolarHBondContact O-N 3.37Å; Y81-R89 WeakPolarHBondContact O-CD 3.46Å; Y81-R89 PolarHBondContact O-NE 3.26Å; Y81-R89 VanDerWaalsContact O-NE 3.17Å; Y81-R89 PolarHBondContact O-NH1 3.42Å; Y81-Y133 HydrophobicContact CD1-CE2 4.41Å; Y81-Y133 HydrophobicContact CE1-CD2 4.43Å; Y81-Y133 HydrophobicContact CE1-CE2 4.1Å; Y81-E137 HydrophobicContact CD1-CB 4.07Å; Y81-E137 HydrophobicContact CD1-CG 4.35Å; Y81-E137 HydrophobicContact CD2-CB 3.66Å; Y81-E137 HydrophobicContact CD2-CG 4.42Å; Y81-E137 HydrophobicContact CE1-CB 3.97Å; Y81-E137 HydrophobicContact CE1-CG 3.8Å; Y81-E137 HydrophobicContact CE2-CB 3.54Å; Y81-E137 HydrophobicContact CE2-CG 3.87Å; Y81-E137 HydrophobicContact CG-CB 3.92Å
82L85.2Confident78.5Confident78 Ų7853.3 Ų53.341%0.40832%0.322SS..THydrogen-bonded Turntrans-97-3.3174.9-65.7173.1000113.9T78 C79 F80 V84 R89 V138T78-L82 HydrophobicContact CG2-CD1 4Å; T78-L82 VanDerWaalsContact O-CG 3.26Å; T78-L82 WeakPolarHBondContact O-CG 3.33Å; T78-L82 PolarHBondContact O-N 2.89Å; C79-L82 PolarHBondContact O-N 2.85Å; F80-L82 PolarHBondContact O-N 3.4Å; F80-L82 VanDerWaalsContact O-N 3.12Å; L82-V84 HydrophobicContact CB-CG2 3.72Å; L82-V84 PolarHBondContact O-N 3.33Å; L82-R89 PolarHBondContact O-NH2 2.94Å; L82-R89 VanDerWaalsContact O-NH2 3.11Å; L82-V138 HydrophobicContact CD1-CG2 4.48Å; L82-V138 HydrophobicContact CD2-CG2 3.99Å; L82-V138 HydrophobicContact CG-CG2 3.88Å
83N83Confident76.9Confident54 Ų5448.3 Ų48.329%0.28930%0.296SS..THydrogen-bonded Turntrans52.432.9-165.5-71.523.5000113.4C79 F80 G85 L87 D88 R89C79-N83 PolarHBondContact O-N 3.32Å; F80-N83 PolarHBondContact O-N 3.12Å; F80-N83 VanDerWaalsContact O-N 3.08Å; N83-G85 PolarHBondContact O-N 2.92Å; N83-L87 WeakPolarHBondContact CA-O 3.39Å; N83-L87 VanDerWaalsContact CB-O 3.29Å; N83-L87 WeakPolarHBondContact CB-O 3.06Å; N83-D88 PolarHBondContact ND2-OD1 2.99Å; N83-R89 WeakPolarHBondContact OD1-CB 3.22Å; N83-R89 VanDerWaalsContact OD1-CG 3.28Å; N83-R89 WeakPolarHBondContact OD1-CG 3.35Å; N83-R89 PolarHBondContact OD1-N 3.49Å; N83-R89 PolarHBondContact OD1-NE 3.24Å
84V77.6Confident75.2Confident86 Ų8650.2 Ų50.252%0.52131%0.309SS..THydrogen-bonded Turntrans-81.4121177.1175.50000109.3C79 L82C79-V84 HydrophobicContact CB-CB 4.39Å; C79-V84 PolarHBondContact O-N 2.98Å; L82-V84 HydrophobicContact CB-CG2 3.72Å; L82-V84 PolarHBondContact O-N 3.33Å
85G69.8Low73.7Confident72 Ų7259.2 Ų59.274%0.74234%0.343SS*.THydrogen-bonded Turntrans1019.4179.200000115.5N83 L87N83-G85 PolarHBondContact O-N 2.92Å; G85-L87 VanDerWaalsContact C-N 3.32Å
86G65.6Low72.4Confident76 Ų7656.4 Ų56.478%0.78433%0.326SS*.SBendtrans82.67.417900000114.8
87L62.6Low71.2Confident53 Ų5352.1 Ų52.128%0.27731%0.307SS..  trans-68.8140.9162.8-72.668.6000108.5F76 F80 N83 G85 D92F76-L87 HydrophobicContact CE2-CD2 4.13Å; F80-L87 HydrophobicContact CB-CD2 4.46Å; F80-L87 HydrophobicContact CD2-CD2 4.19Å; N83-L87 WeakPolarHBondContact CA-O 3.39Å; N83-L87 VanDerWaalsContact CB-O 3.29Å; N83-L87 WeakPolarHBondContact CB-O 3.06Å; G85-L87 VanDerWaalsContact C-N 3.32Å; L87-D92 WeakPolarHBondContact CA-OD2 3.46Å
88D64.4Low69.8Low73 Ų7361.2 Ų61.239%0.3934%0.341SS..  trans-117112.8-178.4-175.726.8000112.2N83 D90 A91 D92N83-D88 PolarHBondContact ND2-OD1 2.99Å; D88-D90 VanDerWaalsContact C-N 3.27Å; D88-D90 PolarHBondContact O-N 3.33Å; D88-D90 VanDerWaalsContact O-N 3.08Å; D88-A91 HydrophobicContact CB-CB 4.33Å; D88-A91 PolarHBondContact O-N 2.73Å; D88-A91 VanDerWaalsContact O-N 3.14Å; D88-D92 PolarHBondContact N-OD2 2.88Å; D88-D92 WeakPolarHBondContact O-CB 3.41Å; D88-D92 PolarHBondContact O-N 2.7Å
89R66.3Low68.2Low46 Ų4665.1 Ų65.117%0.17437%0.369CS..Hα-helixtrans-34.7-53.2177-102.7166.5-81.5-171.2-7.8114Y81 L82 N83 L93 Y134Y81-R89 WeakPolarHBondContact O-CD 3.46Å; Y81-R89 PolarHBondContact O-NE 3.26Å; Y81-R89 VanDerWaalsContact O-NE 3.17Å; Y81-R89 PolarHBondContact O-NH1 3.42Å; L82-R89 PolarHBondContact O-NH2 2.94Å; L82-R89 VanDerWaalsContact O-NH2 3.11Å; N83-R89 WeakPolarHBondContact OD1-CB 3.22Å; N83-R89 VanDerWaalsContact OD1-CG 3.28Å; N83-R89 WeakPolarHBondContact OD1-CG 3.35Å; N83-R89 PolarHBondContact OD1-N 3.49Å; N83-R89 PolarHBondContact OD1-NE 3.24Å; R89-L93 VanDerWaalsContact O-CB 3.28Å; R89-L93 WeakPolarHBondContact O-CB 3.31Å; R89-L93 VanDerWaalsContact O-CD1 3.31Å; R89-L93 WeakPolarHBondContact O-CD1 3.43Å; R89-L93 WeakPolarHBondContact O-CG 3.31Å; R89-L93 PolarHBondContact O-N 3.41Å; R89-Y134 VanDerWaalsContact NH1-CD1 3.34Å; R89-Y134 VanDerWaalsContact NH1-CG 3.34Å
90D62.6Low66.8Low99 Ų9965.7 Ų65.753%0.52937%0.372SS..Hα-helixtrans-80.6-31.8-171.2-73.6-51.2000113.5D88D88-D90 VanDerWaalsContact C-N 3.27Å; D88-D90 PolarHBondContact O-N 3.33Å; D88-D90 VanDerWaalsContact O-N 3.08Å
91A56.9Low65.8Low47 Ų4771.3 Ų71.339%0.38841%0.412SS..Hα-helixtrans-78.9-43.3174.600000112.2D88 I94D88-A91 HydrophobicContact CB-CB 4.33Å; D88-A91 PolarHBondContact O-N 2.73Å; D88-A91 VanDerWaalsContact O-N 3.14Å; A91-I94 VanDerWaalsContact O-CB 3.24Å; A91-I94 WeakPolarHBondContact O-CB 3.48Å; A91-I94 WeakPolarHBondContact O-CD1 3.29Å; A91-I94 WeakPolarHBondContact O-CG1 3.27Å; A91-I94 PolarHBondContact O-N 3.29Å
92D58.1Low64.8Low36 Ų3671.8 Ų71.819%0.19342%0.418CS..Hα-helixtrans-87.1-12.3-170.6-66.4-41.1000113.6F80 L87 D88 I94 W95 L96F80-D92 HydrophobicContact CD2-CB 4.46Å; F80-D92 HydrophobicContact CE2-CB 3.63Å; F80-D92 HydrophobicContact CZ-CB 4.21Å; L87-D92 WeakPolarHBondContact CA-OD2 3.46Å; D88-D92 PolarHBondContact N-OD2 2.88Å; D88-D92 WeakPolarHBondContact O-CB 3.41Å; D88-D92 PolarHBondContact O-N 2.7Å; D92-I94 PolarHBondContact O-N 3.48Å; D92-W95 WeakPolarHBondContact O-CB 3.31Å; D92-W95 PolarHBondContact O-N 2.88Å; D92-W95 PolarHBondContact OD1-NE1 2.87Å; D92-L96 PolarHBondContact O-N 2.9Å
93L61Low63.9Low10 Ų1071.5 Ų71.55%0.05241%0.411CS..Hα-helixtrans-56.2-26.6163.6-91.1169.6000111.7F80 R89 W95 L96 N97F80-L93 HydrophobicContact CE1-CD2 4.23Å; F80-L93 HydrophobicContact CE1-CG 4.22Å; F80-L93 HydrophobicContact CZ-CD2 4.34Å; F80-L93 HydrophobicContact CZ-CG 4.16Å; R89-L93 VanDerWaalsContact O-CB 3.28Å; R89-L93 WeakPolarHBondContact O-CB 3.31Å; R89-L93 VanDerWaalsContact O-CD1 3.31Å; R89-L93 WeakPolarHBondContact O-CD1 3.43Å; R89-L93 WeakPolarHBondContact O-CG 3.31Å; R89-L93 PolarHBondContact O-N 3.41Å; L93-W95 VanDerWaalsContact C-N 3.31Å; L93-W95 PolarHBondContact O-N 3.45Å; L93-L96 HydrophobicContact CD2-CD2 4.37Å; L93-L96 PolarHBondContact O-N 3.33Å; L93-N97 WeakPolarHBondContact O-CB 3.28Å; L93-N97 PolarHBondContact O-N 2.92Å; L93-N97 VanDerWaalsContact O-N 3.1Å; L93-N97 PolarHBondContact O-ND2 3.41Å
94I56.7Low63.5Low90 Ų9069.1 Ų69.146%0.46240%0.399SS..Hα-helixtrans-62.6-37.3175.3-57.3177.4000110.8A91 D92 W98 S99A91-I94 VanDerWaalsContact O-CB 3.24Å; A91-I94 WeakPolarHBondContact O-CB 3.48Å; A91-I94 WeakPolarHBondContact O-CD1 3.29Å; A91-I94 WeakPolarHBondContact O-CG1 3.27Å; A91-I94 PolarHBondContact O-N 3.29Å; D92-I94 PolarHBondContact O-N 3.48Å; I94-W98 PolarHBondContact O-N 2.81Å; I94-S99 PolarHBondContact O-N 3.12Å
95W61.9Low63.5Low189 Ų18968.8 Ų68.872%0.71639%0.388SS*.Hα-helixtrans-65.9-49.2173.9-56.3113.5000111F33 D92 L93 N97 W98F33-W95 WeakPolarHBondContact CD2-O 3.37Å; F33-W95 VanDerWaalsContact CE2-O 3.23Å; F33-W95 WeakPolarHBondContact CE2-O 3.29Å; D92-W95 WeakPolarHBondContact O-CB 3.31Å; D92-W95 PolarHBondContact O-N 2.88Å; D92-W95 PolarHBondContact OD1-NE1 2.87Å; L93-W95 VanDerWaalsContact C-N 3.31Å; L93-W95 PolarHBondContact O-N 3.45Å; W95-N97 PolarHBondContact O-N 3.46Å; W95-N97 VanDerWaalsContact O-N 3.16Å; W95-W98 PolarHBondContact O-N 3.18Å; W95-W98 VanDerWaalsContact O-N 3.14Å
96L64.9Low64Low9 Ų967.6 Ų67.65%0.04736%0.361CS..Hα-helixtrans-62.7-25.2-175.2-156.866.9000113.1L31 F33 P34 W73 L77 F80 D92 L93L31-L96 HydrophobicContact CD2-CB 4.32Å; L31-L96 HydrophobicContact CD2-CD2 3.88Å; L31-L96 HydrophobicContact CD2-CG 3.96Å; F33-L96 HydrophobicContact CB-CD1 4.28Å; F33-L96 PolarHBondContact N-O 2.91Å; P34-L96 HydrophobicContact CG-CD1 3.82Å; P34-L96 HydrophobicContact CG-CD2 4.04Å; P34-L96 HydrophobicContact CG-CG 3.79Å; W73-L96 HydrophobicContact CH2-CD1 4.3Å; W73-L96 HydrophobicContact CZ2-CD1 4.41Å; L77-L96 HydrophobicContact CD2-CD1 4.19Å; L77-L96 HydrophobicContact CD2-CD2 4.21Å; F80-L96 HydrophobicContact CE1-CD2 4.25Å; F80-L96 HydrophobicContact CZ-CD2 4.32Å; D92-L96 PolarHBondContact O-N 2.9Å; L93-L96 HydrophobicContact CD2-CD2 4.37Å; L93-L96 PolarHBondContact O-N 3.33Å
97N65.4Low64.4Low0 Ų065.4 Ų65.40%033%0.33CS..THydrogen-bonded Turntrans-101.14.5179.6-75-82.7000115.2L31 L93 W95 S99 T100 G102L31-N97 WeakPolarHBondContact CD2-ND2 3.4Å; L31-N97 WeakPolarHBondContact CD2-OD1 3.31Å; L93-N97 WeakPolarHBondContact O-CB 3.28Å; L93-N97 PolarHBondContact O-N 2.92Å; L93-N97 VanDerWaalsContact O-N 3.1Å; L93-N97 PolarHBondContact O-ND2 3.41Å; W95-N97 PolarHBondContact O-N 3.46Å; W95-N97 VanDerWaalsContact O-N 3.16Å; N97-S99 VanDerWaalsContact C-N 3.34Å; N97-S99 PolarHBondContact O-N 2.89Å; N97-T100 WeakPolarHBondContact CB-O 3.42Å; N97-T100 WeakPolarHBondContact O-CB 3.5Å; N97-T100 PolarHBondContact O-N 2.97Å; N97-T100 PolarHBondContact O-OG1 3.2Å; N97-G102 PolarHBondContact ND2-O 3.21Å; N97-G102 VanDerWaalsContact OD1-CA 3.25Å; N97-G102 WeakPolarHBondContact OD1-CA 3.32Å; N97-G102 PolarHBondContact OD1-O 3.19Å
98W58.7Low64.8Low192 Ų19264.8 Ų64.873%0.72733%0.332SS*.THydrogen-bonded Turntrans51.650.2-171.3-168.2-84.5000111.9F33 I94 W95 T100F33-W98 AromaticContact CE2-CE3 3.85Å; F33-W98 HydrophobicContact CE2-CE3 3.85Å; F33-W98 AromaticContact CZ-CE3 3.75Å; F33-W98 HydrophobicContact CZ-CE3 3.75Å; F33-W98 HydrophobicContact CZ-CZ3 4.05Å; I94-W98 PolarHBondContact O-N 2.81Å; W95-W98 PolarHBondContact O-N 3.18Å; W95-W98 VanDerWaalsContact O-N 3.14Å; W98-T100 PolarHBondContact O-N 3.32Å
99S55.1Low65.5Low99 Ų9965.3 Ų65.369%0.69234%0.335SS*.THydrogen-bonded Turntrans60.110.5-176.3-155.80000115.9I94 N97I94-S99 PolarHBondContact O-N 3.12Å; N97-S99 VanDerWaalsContact C-N 3.34Å; N97-S99 PolarHBondContact O-N 2.89Å
100T59.5Low65.9Low59 Ų5963.4 Ų63.436%0.36233%0.329SS..  trans-73.2143.3166.4-46.40000108.8N97 W98 G102N97-T100 WeakPolarHBondContact CB-O 3.42Å; N97-T100 WeakPolarHBondContact O-CB 3.5Å; N97-T100 PolarHBondContact O-N 2.97Å; N97-T100 PolarHBondContact O-OG1 3.2Å; W98-T100 PolarHBondContact O-N 3.32Å; T100-G102 PolarHBondContact O-N 3.03Å
101S61.6Low66.7Low125 Ų12561.5 Ų61.587%0.87432%0.322SS*.  trans-76.638175.665.30000113
102G63Low67.6Low14 Ų1466 Ų6614%0.14434%0.335CS..  trans-75.9141.2177.100000111N97 T100N97-G102 PolarHBondContact ND2-O 3.21Å; N97-G102 VanDerWaalsContact OD1-CA 3.25Å; N97-G102 WeakPolarHBondContact OD1-CA 3.32Å; N97-G102 PolarHBondContact OD1-O 3.19Å; T100-G102 PolarHBondContact O-N 3.03Å
103R67.7Low68.4Low73 Ų7365.3 Ų65.328%0.27533%0.333SS..  trans-126.4156.9166.1-65.2-174.6179.8141.15.7106.7Y107 N123 L124R103-Y107 HydrophobicContact CB-CD1 4.31Å; R103-Y107 HydrophobicContact CB-CD2 4.37Å; R103-Y107 HydrophobicContact CB-CG 3.94Å; R103-Y107 HydrophobicContact CG-CG 4.47Å; R103-Y107 PolarHBondContact NH1-OH 3Å; R103-N123 PolarHBondContact NH2-OD1 3.01Å; R103-L124 PolarHBondContact NH1-O 3.04Å
104S73.3Confident69Low4 Ų472.5 Ų72.53%0.02836%0.36CS..  trans-59.5148.8179.968.30000111.5S29 W106 Y107 E137S29-S104 WeakPolarHBondContact OG-CA 3.37Å; S104-W106 PolarHBondContact O-N 3.37Å; S104-W106 VanDerWaalsContact O-N 3.1Å; S104-Y107 WeakPolarHBondContact O-CB 3.26Å; S104-Y107 PolarHBondContact O-N 3.04Å; S104-E137 WeakPolarHBondContact CB-OE1 3.3Å; S104-E137 PolarHBondContact OG-OE1 3.43Å; S104-E137 VanDerWaalsContact OG-OE1 3.1Å
105W77.6Confident69.8Low78 Ų7871.3 Ų71.330%0.29536%0.356SS..Hα-helixtrans-54.8-33.1-178.7-178.682.7000112.2F25 L28 S29 Y107 A108 N109F25-W105 HydrophobicContact CD1-CD2 4.4Å; F25-W105 AromaticContact CD1-CE3 3.96Å; F25-W105 HydrophobicContact CD1-CE3 3.96Å; F25-W105 AromaticContact CE1-CE3 3.91Å; F25-W105 HydrophobicContact CE1-CE3 3.91Å; F25-W105 AromaticContact CE1-CZ3 3.98Å; F25-W105 HydrophobicContact CE1-CZ3 3.98Å; L28-W105 HydrophobicContact CB-CB 4.06Å; L28-W105 HydrophobicContact CB-CG 4.02Å; L28-W105 HydrophobicContact CD1-CG 4.3Å; S29-W105 PolarHBondContact OG-N 3.44Å; W105-Y107 VanDerWaalsContact C-N 3.25Å; W105-Y107 PolarHBondContact O-N 3.13Å; W105-A108 PolarHBondContact O-N 3.22Å; W105-N109 HydrophobicContact CD2-CB 4.01Å; W105-N109 HydrophobicContact CE3-CB 4Å; W105-N109 HydrophobicContact CH2-CB 3.6Å; W105-N109 HydrophobicContact CZ2-CB 3.6Å; W105-N109 HydrophobicContact CZ3-CB 3.81Å; W105-N109 PolarHBondContact NE1-ND2 3.13Å; W105-N109 WeakPolarHBondContact O-CB 3.33Å; W105-N109 PolarHBondContact O-N 3.12Å; W105-N109 PolarHBondContact O-ND2 3.22Å
106W80.7Confident70.3Confident47 Ų4767.2 Ų67.218%0.17835%0.345CS..Hα-helixtrans-62.9-22.5173.3-58.8107.8000114.4F25 S104 A108 N109 A110 I136 I140F25-W106 HydrophobicContact CD1-CZ2 4.29Å; F25-W106 HydrophobicContact CD2-CZ2 4.49Å; F25-W106 HydrophobicContact CE1-CH2 4.43Å; F25-W106 AromaticContact CE1-CZ2 3.92Å; F25-W106 HydrophobicContact CE1-CZ2 3.92Å; F25-W106 HydrophobicContact CE2-CZ2 4.15Å; F25-W106 HydrophobicContact CZ-CH2 4.32Å; F25-W106 AromaticContact CZ-CZ2 3.85Å; F25-W106 HydrophobicContact CZ-CZ2 3.85Å; S104-W106 PolarHBondContact O-N 3.37Å; S104-W106 VanDerWaalsContact O-N 3.1Å; W106-A108 VanDerWaalsContact C-N 3.28Å; W106-A108 PolarHBondContact O-N 2.97Å; W106-N109 PolarHBondContact O-N 2.81Å; W106-A110 WeakPolarHBondContact O-CB 3.48Å; W106-A110 PolarHBondContact O-N 2.79Å; W106-I136 HydrophobicContact CB-CD1 4.42Å; W106-I136 HydrophobicContact CD2-CB 4.5Å; W106-I136 HydrophobicContact CD2-CD1 4.25Å; W106-I136 HydrophobicContact CD2-CG2 3.76Å; W106-I136 HydrophobicContact CE3-CD1 3.84Å; W106-I136 HydrophobicContact CE3-CG2 4.09Å; W106-I136 HydrophobicContact CG-CB 4.43Å; W106-I136 HydrophobicContact CG-CG2 4.09Å; W106-I136 HydrophobicContact CZ2-CG2 4.27Å; W106-I136 HydrophobicContact CZ3-CG2 4.47Å; W106-I140 HydrophobicContact CZ2-CD1 4.27Å
107Y74.7Confident70.5Confident31 Ų3173.4 Ų73.412%0.12237%0.369CS..Hα-helixtrans-56.3-41.9176.6-173.3-92.4000112.2R103 S104 W105 L124 V126 Y133R103-Y107 HydrophobicContact CB-CD1 4.31Å; R103-Y107 HydrophobicContact CB-CD2 4.37Å; R103-Y107 HydrophobicContact CB-CG 3.94Å; R103-Y107 HydrophobicContact CG-CG 4.47Å; R103-Y107 PolarHBondContact NH1-OH 3Å; S104-Y107 WeakPolarHBondContact O-CB 3.26Å; S104-Y107 PolarHBondContact O-N 3.04Å; W105-Y107 VanDerWaalsContact C-N 3.25Å; W105-Y107 PolarHBondContact O-N 3.13Å; Y107-L124 PolarHBondContact OH-O 3.48Å; Y107-L124 VanDerWaalsContact OH-O 3.11Å; Y107-V126 HydrophobicContact CD1-CG2 3.91Å; Y107-V126 HydrophobicContact CE1-CB 4.43Å; Y107-V126 HydrophobicContact CE1-CG2 3.52Å; Y107-V126 WeakPolarHBondContact O-CG2 3.47Å; Y107-Y133 AromaticContact CD2-CD1 3.63Å; Y107-Y133 HydrophobicContact CD2-CD1 3.63Å; Y107-Y133 HydrophobicContact CD2-CD2 4.44Å; Y107-Y133 AromaticContact CD2-CE1 3.59Å; Y107-Y133 HydrophobicContact CD2-CE1 3.59Å; Y107-Y133 HydrophobicContact CD2-CE2 4.41Å; Y107-Y133 HydrophobicContact CD2-CG 4.09Å; Y107-Y133 HydrophobicContact CE2-CD1 4.2Å; Y107-Y133 AromaticContact CE2-CE1 3.83Å; Y107-Y133 HydrophobicContact CE2-CE1 3.83Å
108A70.3Confident70.8Confident40 Ų4076.6 Ų76.633%0.33139%0.386SS..Hα-helixtrans-101.4-15.9-179.400000114.1W105 W106 V115W105-A108 PolarHBondContact O-N 3.22Å; W106-A108 VanDerWaalsContact C-N 3.28Å; W106-A108 PolarHBondContact O-N 2.97Å; A108-V115 HydrophobicContact CB-CG2 4.46Å
109N79.1Confident71.3Confident83 Ų8375.3 Ų75.344%0.44439%0.388SS..Hα-helixtrans-120.16.8-171.2-58.7-88.6000114.4W105 W106W105-N109 HydrophobicContact CD2-CB 4.01Å; W105-N109 HydrophobicContact CE3-CB 4Å; W105-N109 HydrophobicContact CH2-CB 3.6Å; W105-N109 HydrophobicContact CZ2-CB 3.6Å; W105-N109 HydrophobicContact CZ3-CB 3.81Å; W105-N109 PolarHBondContact NE1-ND2 3.13Å; W105-N109 WeakPolarHBondContact O-CB 3.33Å; W105-N109 PolarHBondContact O-N 3.12Å; W105-N109 PolarHBondContact O-ND2 3.22Å; W106-N109 PolarHBondContact O-N 2.81Å
110A75.7Confident71.9Confident6 Ų676.4 Ų76.45%0.0540%0.395CS..SBendtrans-63.9153.4172.700000112.1W106 E112 C113 I136W106-A110 WeakPolarHBondContact O-CB 3.48Å; W106-A110 PolarHBondContact O-N 2.79Å; A110-E112 PolarHBondContact O-N 3.13Å; A110-C113 WeakPolarHBondContact CB-SG 3.2Å; A110-C113 WeakPolarHBondContact O-CB 3.45Å; A110-C113 PolarHBondContact O-N 3.33Å; A110-C113 PolarHBondContact O-SG 2.92Å; A110-I136 HydrophobicContact CB-CD1 3.75Å
111P79Confident72.2Confident59 Ų5978.9 Ų78.938%0.38341%0.406SS..THydrogen-bonded Turntrans-62.4136.4-170.723.6-34000113.4C113 L130 V131P111-C113 PolarHBondContact O-N 3.49Å; P111-L130 PolarHBondContact O-N 2.87Å; P111-L130 VanDerWaalsContact O-N 3.11Å; P111-V131 HydrophobicContact CG-CB 4.24Å; P111-V131 HydrophobicContact CG-CG2 4.37Å
112E76.2Confident72.2Confident141 Ų14176.1 Ų76.166%0.65939%0.391SS*.THydrogen-bonded Turntrans63.3-4.3179.2-52-167.1147.100116.5A110 R114 N128 L130A110-E112 PolarHBondContact O-N 3.13Å; E112-R114 PolarHBondContact O-N 3.12Å; E112-N128 CarbonylContact C-O 3.58Å; E112-L130 HydrophobicContact CB-CB 4.17Å; E112-L130 HydrophobicContact CG-CB 4.24Å
113C74.1Confident72.2Confident23 Ų2378.2 Ų78.216%0.15540%0.398CS..PPolyproline II helixtrans-52.7132.2177-69.70000113.5A110 P111 V126 C129A110-C113 WeakPolarHBondContact CB-SG 3.2Å; A110-C113 WeakPolarHBondContact O-CB 3.45Å; A110-C113 PolarHBondContact O-N 3.33Å; A110-C113 PolarHBondContact O-SG 2.92Å; P111-C113 PolarHBondContact O-N 3.49Å; C113-V126 HydrophobicContact CB-CG1 3.54Å; C113-C129 HydrophobicContact CB-CB 4.2Å; C113-C129 WeakPolarHBondContact CB-SG 3.32Å; C113-C129 WeakPolarHBondContact SG-CB 3.49Å; C113-C129 CovalentContact SG-SG 2.03Å; C113-C129 PolarHBondContact SG-SG 3.46Å
114R73.8Confident72.2Confident161 Ų16178 Ų7861%0.60840%0.403SS*.EExtended strand (participates in β ladder)trans-102.5117169.6-62.1-173.8-179.9-85.9-3110E112 V126 T127 N128E112-R114 PolarHBondContact O-N 3.12Å; R114-V126 WeakPolarHBondContact O-CA 3.19Å; R114-T127 PolarHBondContact N-O 3.37Å; R114-T127 PolarHBondContact O-N 2.97Å; R114-N128 HydrophobicContact CG-CB 4.43Å
115V72.8Confident72Confident65 Ų6580 Ų8039%0.39442%0.415SS..EExtended strand (participates in β ladder)trans-86121.4178.8-176.90000109.4A108 L124 V126A108-V115 HydrophobicContact CB-CG2 4.46Å; V115-L124 HydrophobicContact CG1-CD1 3.68Å; V115-L124 HydrophobicContact CG1-CD2 3.69Å; V115-L124 HydrophobicContact CG1-CG 3.6Å; V115-V126 HydrophobicContact CB-CG2 4.48Å; V115-V126 HydrophobicContact CG1-CG2 4.35Å; V115-V126 HydrophobicContact CG2-CG1 4.33Å; V115-V126 HydrophobicContact CG2-CG2 4.08Å
116H72.7Confident71.5Confident102 Ų10277.6 Ų77.647%0.47241%0.408SS..EExtended strand (participates in β ladder)trans-128.5132177.3-66.4-80000110.3N118 V125H116-N118 PolarHBondContact O-N 3.31Å; H116-V125 CarbonylContact C-O 3.57Å; H116-V125 PolarHBondContact N-O 3.48Å; H116-V125 CarbonylContact O-C 3.55Å; H116-V125 PolarHBondContact O-N 2.9Å
117Y69.7Low70.9Confident140 Ų14078.1 Ų78.155%0.54942%0.417SS..EExtended strand (participates in β ladder)trans-82.8111.3174-175.8-102.5000110Q119 A122 L124Y117-Q119 HydrophobicContact CD1-CG 3.99Å; Y117-Q119 HydrophobicContact CE1-CG 4.16Å; Y117-Q119 PolarHBondContact O-N 2.99Å; Y117-A122 WeakPolarHBondContact OH-CA 3.17Å; Y117-L124 HydrophobicContact CD2-CD1 4.34Å
118N72Confident70.5Confident66 Ų6682.2 Ų82.235%0.35344%0.441SS..EExtended strand (participates in β ladder)trans-82.299.4175.9-174-18000109.1H116 S120 L121 A122 N123 V125H116-N118 PolarHBondContact O-N 3.31Å; N118-S120 VanDerWaalsContact C-N 3.29Å; N118-S120 PolarHBondContact O-N 3.36Å; N118-S120 PolarHBondContact OD1-N 3.39Å; N118-L121 HydrophobicContact CB-CB 4.35Å; N118-L121 PolarHBondContact O-N 2.68Å; N118-L121 VanDerWaalsContact O-N 3.16Å; N118-L121 PolarHBondContact OD1-N 2.93Å; N118-A122 PolarHBondContact O-N 2.95Å; N118-N123 PolarHBondContact N-O 3.35Å; N118-N123 PolarHBondContact O-N 3.27Å; N118-V125 HydrophobicContact CB-CB 4.33Å; N118-V125 HydrophobicContact CB-CG2 3.69Å
119Q69.1Low70.9Confident166 Ų16682.2 Ų82.278%0.77644%0.438SS*.G310 helixtrans-55.4-42.8-179.3-65.3-178.6-4.700112.2Y117 L121 A122Y117-Q119 HydrophobicContact CD1-CG 3.99Å; Y117-Q119 HydrophobicContact CE1-CG 4.16Å; Y117-Q119 PolarHBondContact O-N 2.99Å; Q119-L121 PolarHBondContact O-N 3.27Å; Q119-A122 PolarHBondContact O-N 2.66Å
120S68Low71Confident121 Ų12183.8 Ų83.885%0.84645%0.446SS*.G310 helixtrans-64.9-23.9-178.3-48.60000113.8N118N118-S120 VanDerWaalsContact C-N 3.29Å; N118-S120 PolarHBondContact O-N 3.36Å; N118-S120 PolarHBondContact OD1-N 3.39Å
121L64.2Low71.2Confident111 Ų11186.1 Ų86.158%0.58146%0.459SS*.G310 helixtrans-108.33179.5-149.573.8000112.6N118 Q119 N123N118-L121 HydrophobicContact CB-CB 4.35Å; N118-L121 PolarHBondContact O-N 2.68Å; N118-L121 VanDerWaalsContact O-N 3.16Å; N118-L121 PolarHBondContact OD1-N 2.93Å; Q119-L121 PolarHBondContact O-N 3.27Å; L121-N123 HydrophobicContact CB-CB 4.24Å; L121-N123 HydrophobicContact CD2-CB 4.32Å; L121-N123 HydrophobicContact CG-CB 4.43Å; L121-N123 WeakPolarHBondContact O-CB 3.29Å; L121-N123 PolarHBondContact O-N 2.92Å; L121-N123 PolarHBondContact O-ND2 3.43Å
122A62.2Low71.3Confident68 Ų6885.2 Ų85.256%0.56245%0.453SS*.THydrogen-bonded Turntrans46.829.8-171.600000114.3Y117 N118 Q119Y117-A122 WeakPolarHBondContact OH-CA 3.17Å; N118-A122 PolarHBondContact O-N 2.95Å; Q119-A122 PolarHBondContact O-N 2.66Å
123N64Low71.6Confident57 Ų5780 Ų8031%0.30543%0.428SS..EExtended strand (participates in β ladder)trans-128.4141-166-100.2-79.3000111.6R103 N118 L121 V125R103-N123 PolarHBondContact NH2-OD1 3.01Å; N118-N123 PolarHBondContact N-O 3.35Å; N118-N123 PolarHBondContact O-N 3.27Å; L121-N123 HydrophobicContact CB-CB 4.24Å; L121-N123 HydrophobicContact CD2-CB 4.32Å; L121-N123 HydrophobicContact CG-CB 4.43Å; L121-N123 WeakPolarHBondContact O-CB 3.29Å; L121-N123 PolarHBondContact O-N 2.92Å; L121-N123 PolarHBondContact O-ND2 3.43Å; N123-V125 HydrophobicContact CB-CG2 4.39Å; N123-V125 PolarHBondContact O-N 2.99Å
124L66.5Low72.1Confident70 Ų7082.6 Ų82.637%0.36644%0.435SS..EExtended strand (participates in β ladder)trans-67.4122.5162.1-150.775.9000107.8R103 Y107 V115 Y117R103-L124 PolarHBondContact NH1-O 3.04Å; Y107-L124 PolarHBondContact OH-O 3.48Å; Y107-L124 VanDerWaalsContact OH-O 3.11Å; V115-L124 HydrophobicContact CG1-CD1 3.68Å; V115-L124 HydrophobicContact CG1-CD2 3.69Å; V115-L124 HydrophobicContact CG1-CG 3.6Å; Y117-L124 HydrophobicContact CD2-CD1 4.34Å
125V68.8Low72.8Confident46 Ų4677 Ų7728%0.27942%0.42SS..EExtended strand (participates in β ladder)trans-123.3132.2178.8178.50000108H116 N118 N123 T127H116-V125 CarbonylContact C-O 3.57Å; H116-V125 PolarHBondContact N-O 3.48Å; H116-V125 CarbonylContact O-C 3.55Å; H116-V125 PolarHBondContact O-N 2.9Å; N118-V125 HydrophobicContact CB-CB 4.33Å; N118-V125 HydrophobicContact CB-CG2 3.69Å; N123-V125 HydrophobicContact CB-CG2 4.39Å; N123-V125 PolarHBondContact O-N 2.99Å; V125-T127 HydrophobicContact CG1-CG2 4.24Å
126V68.5Low73.6Confident27 Ų2775.2 Ų75.216%0.16441%0.408CS..EExtended strand (participates in β ladder)trans-115.7126.3-174-1730000109.1Y107 C113 R114 V115Y107-V126 HydrophobicContact CD1-CG2 3.91Å; Y107-V126 HydrophobicContact CE1-CB 4.43Å; Y107-V126 HydrophobicContact CE1-CG2 3.52Å; Y107-V126 WeakPolarHBondContact O-CG2 3.47Å; C113-V126 HydrophobicContact CB-CG1 3.54Å; R114-V126 WeakPolarHBondContact O-CA 3.19Å; V115-V126 HydrophobicContact CB-CG2 4.48Å; V115-V126 HydrophobicContact CG1-CG2 4.35Å; V115-V126 HydrophobicContact CG2-CG1 4.33Å; V115-V126 HydrophobicContact CG2-CG2 4.08Å
127T67.1Low74.4Confident58 Ų5870.6 Ų70.636%0.35639%0.387SS..EExtended strand (participates in β ladder)trans-127.7164.4-174640000110.6R114 V125 C129R114-T127 PolarHBondContact N-O 3.37Å; R114-T127 PolarHBondContact O-N 2.97Å; V125-T127 HydrophobicContact CG1-CG2 4.24Å; T127-C129 VanDerWaalsContact C-N 3.29Å; T127-C129 PolarHBondContact O-N 3.1Å
128N67.3Low75.4Confident116 Ų11664.6 Ų64.662%0.6236%0.364SS*.  trans6029.3176.9-50.6-76.3000115.4E112 R114E112-N128 CarbonylContact C-O 3.58Å; R114-N128 HydrophobicContact CG-CB 4.43Å
129C78.4Confident76.4Confident40 Ų4065.6 Ų65.627%0.2737%0.373SS..  trans-71.6134.6171.6-62.50000111.7C113 T127C113-C129 HydrophobicContact CB-CB 4.2Å; C113-C129 WeakPolarHBondContact CB-SG 3.32Å; C113-C129 WeakPolarHBondContact SG-CB 3.49Å; C113-C129 CovalentContact SG-SG 2.03Å; C113-C129 PolarHBondContact SG-SG 3.46Å; T127-C129 VanDerWaalsContact C-N 3.29Å; T127-C129 PolarHBondContact O-N 3.1Å
130L80.4Confident77.6Confident117 Ų11759.5 Ų59.561%0.61335%0.345SS*.SBendtrans-69.1-39.1172.1179.864.5000111.7P111 E112P111-L130 PolarHBondContact O-N 2.87Å; P111-L130 VanDerWaalsContact O-N 3.11Å; E112-L130 HydrophobicContact CB-CB 4.17Å; E112-L130 HydrophobicContact CG-CB 4.24Å
131V80.3Confident78.8Confident55 Ų5553.8 Ų53.833%0.33331%0.305SS..SBendtrans-128.3119.4173-175.70000107.6P111 I136P111-V131 HydrophobicContact CG-CB 4.24Å; P111-V131 HydrophobicContact CG-CG2 4.37Å; V131-I136 HydrophobicContact CG1-CD1 4.35Å; V131-I136 HydrophobicContact CG1-CG1 3.75Å
132P81.2Confident80.3Confident39 Ų3952.4 Ų52.425%0.25330%0.298SS..  trans-72.8147.4179.530.7-34.6000110.9Y134 S135P132-Y134 VanDerWaalsContact C-N 3.26Å; P132-Y134 HydrophobicContact CB-CD1 3.92Å; P132-Y134 HydrophobicContact CB-CE1 3.51Å; P132-Y134 HydrophobicContact CG-CD1 4.26Å; P132-Y134 HydrophobicContact CG-CE1 3.63Å; P132-Y134 HydrophobicContact CG-CE2 4.07Å; P132-Y134 VanDerWaalsContact CG-CZ 3.49Å; P132-Y134 PolarHBondContact O-N 3.41Å; P132-Y134 VanDerWaalsContact O-N 3.11Å; P132-S135 WeakPolarHBondContact O-CB 3.23Å; P132-S135 PolarHBondContact O-N 3.46Å
133Y82.2Confident81.9Confident32 Ų3252.2 Ų52.213%0.12529%0.29CS..Hα-helixtrans-51.6-40.1-17274.3-86.5000114Y81 Y107 S135 I136 E137Y81-Y133 HydrophobicContact CD1-CE2 4.41Å; Y81-Y133 HydrophobicContact CE1-CD2 4.43Å; Y81-Y133 HydrophobicContact CE1-CE2 4.1Å; Y107-Y133 AromaticContact CD2-CD1 3.63Å; Y107-Y133 HydrophobicContact CD2-CD1 3.63Å; Y107-Y133 HydrophobicContact CD2-CD2 4.44Å; Y107-Y133 AromaticContact CD2-CE1 3.59Å; Y107-Y133 HydrophobicContact CD2-CE1 3.59Å; Y107-Y133 HydrophobicContact CD2-CE2 4.41Å; Y107-Y133 HydrophobicContact CD2-CG 4.09Å; Y107-Y133 HydrophobicContact CE2-CD1 4.2Å; Y107-Y133 AromaticContact CE2-CE1 3.83Å; Y107-Y133 HydrophobicContact CE2-CE1 3.83Å; Y133-S135 VanDerWaalsContact C-N 3.28Å; Y133-S135 PolarHBondContact O-N 3.07Å; Y133-I136 WeakPolarHBondContact O-CB 3.25Å; Y133-I136 PolarHBondContact O-N 2.87Å; Y133-I136 VanDerWaalsContact O-N 3.09Å; Y133-E137 PolarHBondContact O-N 3.04Å; Y133-E137 VanDerWaalsContact O-N 3.12Å
134Y85Confident83.4Confident78 Ų7849.7 Ų49.731%0.30628%0.276SS..Hα-helixtrans-63.5-31.2-17965.3-101.8000112.9R89 P132 I136 V138R89-Y134 VanDerWaalsContact NH1-CD1 3.34Å; R89-Y134 VanDerWaalsContact NH1-CG 3.34Å; P132-Y134 VanDerWaalsContact C-N 3.26Å; P132-Y134 HydrophobicContact CB-CD1 3.92Å; P132-Y134 HydrophobicContact CB-CE1 3.51Å; P132-Y134 HydrophobicContact CG-CD1 4.26Å; P132-Y134 HydrophobicContact CG-CE1 3.63Å; P132-Y134 HydrophobicContact CG-CE2 4.07Å; P132-Y134 VanDerWaalsContact CG-CZ 3.49Å; P132-Y134 PolarHBondContact O-N 3.41Å; P132-Y134 VanDerWaalsContact O-N 3.11Å; Y134-I136 VanDerWaalsContact C-N 3.35Å; Y134-V138 WeakPolarHBondContact O-CB 3.4Å; Y134-V138 VanDerWaalsContact O-CG2 3.25Å; Y134-V138 WeakPolarHBondContact O-CG2 3.41Å; Y134-V138 PolarHBondContact O-N 2.97Å
135S88.6Confident84.8Confident42 Ų4247.2 Ų47.229%0.29427%0.265SS..Hα-helixtrans-69.6-34.5175.4-64.10000111.7P132 Y133 V139P132-S135 WeakPolarHBondContact O-CB 3.23Å; P132-S135 PolarHBondContact O-N 3.46Å; Y133-S135 VanDerWaalsContact C-N 3.28Å; Y133-S135 PolarHBondContact O-N 3.07Å; S135-V139 VanDerWaalsContact O-CG2 3.28Å; S135-V139 WeakPolarHBondContact O-CG2 3.21Å; S135-V139 PolarHBondContact O-N 3.37Å
136I89.3Confident86.1Confident28 Ų2850.6 Ų50.614%0.14428%0.28CS..Hα-helixtrans-68.3-46.2177.5-52.8178.9000109.6W106 A110 V131 Y133 Y134 V138 V139 I140W106-I136 HydrophobicContact CB-CD1 4.42Å; W106-I136 HydrophobicContact CD2-CB 4.5Å; W106-I136 HydrophobicContact CD2-CD1 4.25Å; W106-I136 HydrophobicContact CD2-CG2 3.76Å; W106-I136 HydrophobicContact CE3-CD1 3.84Å; W106-I136 HydrophobicContact CE3-CG2 4.09Å; W106-I136 HydrophobicContact CG-CB 4.43Å; W106-I136 HydrophobicContact CG-CG2 4.09Å; W106-I136 HydrophobicContact CZ2-CG2 4.27Å; W106-I136 HydrophobicContact CZ3-CG2 4.47Å; A110-I136 HydrophobicContact CB-CD1 3.75Å; V131-I136 HydrophobicContact CG1-CD1 4.35Å; V131-I136 HydrophobicContact CG1-CG1 3.75Å; Y133-I136 WeakPolarHBondContact O-CB 3.25Å; Y133-I136 PolarHBondContact O-N 2.87Å; Y133-I136 VanDerWaalsContact O-N 3.09Å; Y134-I136 VanDerWaalsContact C-N 3.35Å; I136-V138 PolarHBondContact O-N 3.43Å; I136-V139 PolarHBondContact O-N 3.27Å; I136-I140 HydrophobicContact CG2-CD1 3.96Å; I136-I140 WeakPolarHBondContact O-CG1 3.5Å; I136-I140 PolarHBondContact O-N 3.18Å
137E88.9Confident87.3Confident5 Ų550.1 Ų50.12%0.02328%0.278CS..Hα-helixtrans-60.9-43.8177.1-68.6-72.7178.400112.9R22 Y81 S104 Y133 I140 A141R22-E137 IonicContact NH2-OE2 3.92Å; Y81-E137 HydrophobicContact CD1-CB 4.07Å; Y81-E137 HydrophobicContact CD1-CG 4.35Å; Y81-E137 HydrophobicContact CD2-CB 3.66Å; Y81-E137 HydrophobicContact CD2-CG 4.42Å; Y81-E137 HydrophobicContact CE1-CB 3.97Å; Y81-E137 HydrophobicContact CE1-CG 3.8Å; Y81-E137 HydrophobicContact CE2-CB 3.54Å; Y81-E137 HydrophobicContact CE2-CG 3.87Å; Y81-E137 HydrophobicContact CG-CB 3.92Å; S104-E137 WeakPolarHBondContact CB-OE1 3.3Å; S104-E137 PolarHBondContact OG-OE1 3.43Å; S104-E137 VanDerWaalsContact OG-OE1 3.1Å; Y133-E137 PolarHBondContact O-N 3.04Å; Y133-E137 VanDerWaalsContact O-N 3.12Å; E137-I140 PolarHBondContact O-N 3.35Å; E137-A141 WeakPolarHBondContact O-CB 3.41Å; E137-A141 PolarHBondContact O-N 3.04Å
138V91.6Very high88.6Confident14 Ų1447.4 Ų47.49%0.08526%0.262CS..Hα-helixtrans-60.4-44.8173.8164.50000111.2T78 L82 Y134 I136 I140 A141 L142T78-V138 HydrophobicContact CG2-CG1 4.15Å; L82-V138 HydrophobicContact CD1-CG2 4.48Å; L82-V138 HydrophobicContact CD2-CG2 3.99Å; L82-V138 HydrophobicContact CG-CG2 3.88Å; Y134-V138 WeakPolarHBondContact O-CB 3.4Å; Y134-V138 VanDerWaalsContact O-CG2 3.25Å; Y134-V138 WeakPolarHBondContact O-CG2 3.41Å; Y134-V138 PolarHBondContact O-N 2.97Å; I136-V138 PolarHBondContact O-N 3.43Å; V138-I140 PolarHBondContact O-N 2.94Å; V138-A141 PolarHBondContact O-N 3.29Å; V138-L142 HydrophobicContact CG1-CD1 3.76Å; V138-L142 HydrophobicContact CG1-CG 4.34Å; V138-L142 WeakPolarHBondContact O-CB 3.37Å; V138-L142 VanDerWaalsContact O-CG 3.24Å; V138-L142 WeakPolarHBondContact O-CG 3.45Å; V138-L142 PolarHBondContact O-N 3.35Å
139V93.9Very high90Very high87 Ų8748.4 Ų48.453%0.52726%0.261SS..Hα-helixtrans-63.4-41.9177.21680000111.4S135 I136 L142 V143S135-V139 VanDerWaalsContact O-CG2 3.28Å; S135-V139 WeakPolarHBondContact O-CG2 3.21Å; S135-V139 PolarHBondContact O-N 3.37Å; I136-V139 PolarHBondContact O-N 3.27Å; V139-L142 PolarHBondContact O-N 2.87Å; V139-V143 WeakPolarHBondContact O-CB 3.46Å; V139-V143 VanDerWaalsContact O-CG2 3.3Å; V139-V143 WeakPolarHBondContact O-CG2 3.41Å; V139-V143 PolarHBondContact O-N 3.1Å
140I92.7Very high90.7Very high39 Ų3951 Ų5120%0.227%0.271CS..Hα-helixtrans-61.8-47.5175.7-69167000110.7W106 I136 E137 V138 L142 V143 H144W106-I140 HydrophobicContact CZ2-CD1 4.27Å; I136-I140 HydrophobicContact CG2-CD1 3.96Å; I136-I140 WeakPolarHBondContact O-CG1 3.5Å; I136-I140 PolarHBondContact O-N 3.18Å; E137-I140 PolarHBondContact O-N 3.35Å; V138-I140 PolarHBondContact O-N 2.94Å; I140-L142 PolarHBondContact O-N 2.9Å; I140-V143 PolarHBondContact O-N 3.3Å; I140-H144 PolarHBondContact O-CD2 3.25Å; I140-H144 VanDerWaalsContact O-CD2 3.27Å; I140-H144 PolarHBondContact O-N 3.43Å
141A93.3Very high91.4Very high1 Ų145.5 Ų45.51%0.00824%0.243CC..Hα-helixtrans-61.7-42.617800000112.4N74 T78 E137 V138 H144 C145N74-A141 HydrophobicContact CB-CB 4.35Å; T78-A141 WeakPolarHBondContact OG1-CB 3.41Å; E137-A141 WeakPolarHBondContact O-CB 3.41Å; E137-A141 PolarHBondContact O-N 3.04Å; V138-A141 PolarHBondContact O-N 3.29Å; A141-H144 PolarHBondContact O-N 3.41Å; A141-C145 PolarHBondContact O-N 2.9Å; A141-C145 PolarHBondContact O-SG 2.89Å
142L95.6Very high92.1Very high81 Ų8143.2 Ų43.242%0.42423%0.23SC..Hα-helixtrans-64.7-39.4175.9-71.6172000112.4T78 V138 V139 I140 H144 C145 L146T78-L142 HydrophobicContact CG2-CD2 4.37Å; V138-L142 HydrophobicContact CG1-CD1 3.76Å; V138-L142 HydrophobicContact CG1-CG 4.34Å; V138-L142 WeakPolarHBondContact O-CB 3.37Å; V138-L142 VanDerWaalsContact O-CG 3.24Å; V138-L142 WeakPolarHBondContact O-CG 3.45Å; V138-L142 PolarHBondContact O-N 3.35Å; V139-L142 PolarHBondContact O-N 2.87Å; I140-L142 PolarHBondContact O-N 2.9Å; L142-H144 VanDerWaalsContact C-N 3.32Å; L142-H144 PolarHBondContact O-N 2.86Å; L142-C145 WeakPolarHBondContact O-CB 3.43Å; L142-C145 PolarHBondContact O-N 3.1Å; L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 2.89Å
143V95.8Very high92.7Very high64 Ų6446.5 Ų46.539%0.38824%0.24SC..Hα-helixtrans-61.3-41.3172.71670000110.9L18 V139 I140 L146 S147L18-V143 HydrophobicContact CD1-CG1 4.26Å; V139-V143 WeakPolarHBondContact O-CB 3.46Å; V139-V143 VanDerWaalsContact O-CG2 3.3Å; V139-V143 WeakPolarHBondContact O-CG2 3.41Å; V139-V143 PolarHBondContact O-N 3.1Å; I140-V143 PolarHBondContact O-N 3.3Å; V143-L146 PolarHBondContact O-N 3.22Å; V143-S147 WeakPolarHBondContact O-CB 3.34Å; V143-S147 PolarHBondContact O-N 3.36Å
144H95.7Very high93.2Very high5 Ų546.7 Ų46.72%0.02324%0.243CC..Hα-helixtrans-65.7-39.8173.9-82.6-72.7000113.2N74 I140 A141 L142 S148N74-H144 WeakPolarHBondContact OD1-CB 2.93Å; I140-H144 PolarHBondContact O-CD2 3.25Å; I140-H144 VanDerWaalsContact O-CD2 3.27Å; I140-H144 PolarHBondContact O-N 3.43Å; A141-H144 PolarHBondContact O-N 3.41Å; L142-H144 VanDerWaalsContact C-N 3.32Å; L142-H144 PolarHBondContact O-N 2.86Å; H144-S148 WeakPolarHBondContact O-CB 3.3Å; H144-S148 PolarHBondContact O-N 2.92Å; H144-S148 PolarHBondContact O-OG 3.29Å
145C95.7Very high93.6Very high18 Ų1843 Ų4312%0.12223%0.229CC..Hα-helixtrans-58.5-51.5173.1-74.70000111.7N74 A141 L142 S148 F149N74-C145 WeakPolarHBondContact CB-SG 3.36Å; A141-C145 PolarHBondContact O-N 2.9Å; A141-C145 PolarHBondContact O-SG 2.89Å; L142-C145 WeakPolarHBondContact O-CB 3.43Å; L142-C145 PolarHBondContact O-N 3.1Å; C145-S148 PolarHBondContact O-N 3.49Å; C145-F149 WeakPolarHBondContact O-CB 3.49Å; C145-F149 PolarHBondContact O-N 3.32Å
146L95.9Very high93.8Very high116 Ų11643.8 Ų43.861%0.60723%0.229SC*.Hα-helixtrans-63.4-47.3-179.6-68.6171.4000111.9L142 V143 S148 F149 I150L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 2.89Å; V143-L146 PolarHBondContact O-N 3.22Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.23Å; L146-F149 PolarHBondContact O-N 2.94Å; L146-I150 VanDerWaalsContact O-CG1 3.29Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 3.48Å
147S94.9Very high93.8Very high18 Ų1846 Ų4613%0.12624%0.239CC..Hα-helixtrans-58.7-44.1176.9-178.40000111.9N15 V143 I150 V151N15-S147 WeakPolarHBondContact OD1-CB 3.39Å; N15-S147 PolarHBondContact OD1-OG 3.21Å; V143-S147 WeakPolarHBondContact O-CB 3.34Å; V143-S147 PolarHBondContact O-N 3.36Å; S147-I150 PolarHBondContact O-N 3.04Å; S147-V151 WeakPolarHBondContact O-CG2 3.37Å; S147-V151 PolarHBondContact O-N 3.46Å
148S95Very high93.9Very high1 Ų146.5 Ų46.51%0.00724%0.242CC..Hα-helixtrans-71.3-35.2-179-53.90000112.6W70 H144 C145 L146 V151 G152W70-S148 PolarHBondContact NE1-OG 3.27Å; H144-S148 WeakPolarHBondContact O-CB 3.3Å; H144-S148 PolarHBondContact O-N 2.92Å; H144-S148 PolarHBondContact O-OG 3.29Å; C145-S148 PolarHBondContact O-N 3.49Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.23Å; S148-V151 PolarHBondContact O-N 3.5Å; S148-G152 PolarHBondContact O-N 2.9Å
149F95.4Very high93.8Very high136 Ų13648 Ų4860%0.59625%0.249SC*.Hα-helixtrans-63.5-44.2171.1-176.3-94.9000111.6C145 L146 G152 F153C145-F149 WeakPolarHBondContact O-CB 3.49Å; C145-F149 PolarHBondContact O-N 3.32Å; L146-F149 PolarHBondContact O-N 2.94Å; F149-G152 PolarHBondContact O-N 3.25Å; F149-F153 VanDerWaalsContact O-CB 3.32Å; F149-F153 WeakPolarHBondContact O-CB 3.39Å; F149-F153 PolarHBondContact O-N 3.43Å
150I94.6Very high93.5Very high94 Ų9451.2 Ų51.248%0.48225%0.252SS..Hα-helixtrans-61.6-46.8175.8-68.8163.9000110.8L146 S147 F153 L154L146-I150 VanDerWaalsContact O-CG1 3.29Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 3.48Å; S147-I150 PolarHBondContact O-N 3.04Å; I150-F153 PolarHBondContact O-N 3.01Å; I150-L154 HydrophobicContact CG2-CD1 3.86Å; I150-L154 HydrophobicContact CG2-CG 4.44Å; I150-L154 WeakPolarHBondContact O-CB 3.42Å; I150-L154 VanDerWaalsContact O-CG 3.25Å; I150-L154 WeakPolarHBondContact O-CG 3.42Å; I150-L154 PolarHBondContact O-N 3.47Å
151V94.4Very high93.2Very high3 Ų358.2 Ų58.22%0.01828%0.276CS..Hα-helixtrans-62.2-45.7177168.20000111.5A11 V12 N15 I67 S147 S148 L154 I155A11-V151 HydrophobicContact CB-CG2 4.12Å; V12-V151 HydrophobicContact CG2-CG1 3.93Å; N15-V151 HydrophobicContact CB-CG2 3.93Å; I67-V151 HydrophobicContact CD1-CG1 4.39Å; S147-V151 WeakPolarHBondContact O-CG2 3.37Å; S147-V151 PolarHBondContact O-N 3.46Å; S148-V151 PolarHBondContact O-N 3.5Å; V151-L154 PolarHBondContact O-N 3.43Å; V151-I155 HydrophobicContact CG1-CD1 3.75Å; V151-I155 HydrophobicContact CG1-CG1 4.45Å; V151-I155 WeakPolarHBondContact O-CG1 3.28Å; V151-I155 PolarHBondContact O-N 3.14Å
152G94.1Very high92.7Very high6 Ų663.4 Ų63.46%0.06230%0.299CS..Hα-helixtrans-60.8-46.6176.900000112.6S148 F149 L154 I155 I156S148-G152 PolarHBondContact O-N 2.9Å; F149-G152 PolarHBondContact O-N 3.25Å; G152-L154 PolarHBondContact O-N 3.21Å; G152-I155 PolarHBondContact O-N 3.34Å; G152-I156 VanDerWaalsContact O-CG1 3.31Å; G152-I156 WeakPolarHBondContact O-CG1 3.29Å; G152-I156 PolarHBondContact O-N 2.88Å
153F93.8Very high92.1Very high108 Ų10864.6 Ų64.647%0.47431%0.306SS..Hα-helixtrans-59.8-44.2175-179.3-96.8000112F149 I150 I155 I156 M157F149-F153 VanDerWaalsContact O-CB 3.32Å; F149-F153 WeakPolarHBondContact O-CB 3.39Å; F149-F153 PolarHBondContact O-N 3.43Å; I150-F153 PolarHBondContact O-N 3.01Å; F153-I155 PolarHBondContact O-N 3.16Å; F153-I156 PolarHBondContact O-N 2.99Å; F153-M157 HydrophobicContact CD1-CG 4.06Å; F153-M157 HydrophobicContact CE1-CG 3.65Å; F153-M157 HydrophobicContact CE1-SD 4.46Å; F153-M157 HydrophobicContact CE2-CE 4.06Å; F153-M157 HydrophobicContact CE2-CG 4.34Å; F153-M157 HydrophobicContact CZ-CE 4.13Å; F153-M157 HydrophobicContact CZ-CG 3.81Å; F153-M157 HydrophobicContact CZ-SD 4.09Å; F153-M157 WeakPolarHBondContact O-CB 3.45Å; F153-M157 VanDerWaalsContact O-CG 3.31Å; F153-M157 WeakPolarHBondContact O-CG 3.13Å; F153-M157 PolarHBondContact O-N 2.8Å
154L93.6Very high91.3Very high36 Ų3666 Ų6619%0.18831%0.312CS..Hα-helixtrans-64.6-37.9177-74172.4000112.5V7 V8 A11 I150 V151 G152 M157 F158V7-L154 HydrophobicContact CG1-CD1 4.23Å; V7-L154 HydrophobicContact CG1-CD2 4.04Å; V8-L154 HydrophobicContact CG2-CB 4.02Å; A11-L154 HydrophobicContact CB-CD1 3.49Å; A11-L154 VanDerWaalsContact CB-CD1 3.49Å; I150-L154 HydrophobicContact CG2-CD1 3.86Å; I150-L154 HydrophobicContact CG2-CG 4.44Å; I150-L154 WeakPolarHBondContact O-CB 3.42Å; I150-L154 VanDerWaalsContact O-CG 3.25Å; I150-L154 WeakPolarHBondContact O-CG 3.42Å; I150-L154 PolarHBondContact O-N 3.47Å; V151-L154 PolarHBondContact O-N 3.43Å; G152-L154 PolarHBondContact O-N 3.21Å; L154-M157 PolarHBondContact O-N 2.84Å; L154-F158 VanDerWaalsContact O-CB 3.3Å; L154-F158 WeakPolarHBondContact O-CB 3.09Å; L154-F158 PolarHBondContact O-N 3.1Å
155I92.3Very high90.2Very high0 Ų067 Ų670%032%0.324CS..Hα-helixtrans-67.1-43.5174.4-68.6167.9000110.8V8 L60 V63 L64 I67 V151 G152 F153 M157 F158 L159V8-I155 HydrophobicContact CG1-CG1 4.11Å; L60-I155 HydrophobicContact CB-CG2 4.21Å; L60-I155 HydrophobicContact CD2-CG2 4.14Å; V63-I155 HydrophobicContact CG1-CD1 3.88Å; L64-I155 HydrophobicContact CD1-CG2 4.06Å; L64-I155 HydrophobicContact CD2-CB 4.17Å; L64-I155 HydrophobicContact CD2-CG2 3.88Å; L64-I155 HydrophobicContact CG-CG2 3.88Å; I67-I155 HydrophobicContact CD1-CD1 4.31Å; V151-I155 HydrophobicContact CG1-CD1 3.75Å; V151-I155 HydrophobicContact CG1-CG1 4.45Å; V151-I155 WeakPolarHBondContact O-CG1 3.28Å; V151-I155 PolarHBondContact O-N 3.14Å; G152-I155 PolarHBondContact O-N 3.34Å; F153-I155 PolarHBondContact O-N 3.16Å; I155-M157 PolarHBondContact O-N 3.02Å; I155-F158 WeakPolarHBondContact O-CB 3.25Å; I155-F158 PolarHBondContact O-N 3.29Å; I155-L159 HydrophobicContact CG2-CD1 4.28Å; I155-L159 WeakPolarHBondContact O-CG 3.42Å; I155-L159 PolarHBondContact O-N 3.44Å
156I92.5Very high89Confident60 Ų6068 Ų6831%0.30834%0.337SS..Hα-helixtrans-61.4-43.5175-67.5165000110.8L64 G152 F153 F158 L159 R160L64-I156 HydrophobicContact CD1-CG1 4.01Å; L64-I156 HydrophobicContact CD2-CD1 4.2Å; L64-I156 HydrophobicContact CD2-CG1 3.74Å; G152-I156 VanDerWaalsContact O-CG1 3.31Å; G152-I156 WeakPolarHBondContact O-CG1 3.29Å; G152-I156 PolarHBondContact O-N 2.88Å; F153-I156 PolarHBondContact O-N 2.99Å; I156-F158 VanDerWaalsContact C-N 3.35Å; I156-L159 PolarHBondContact O-N 3.43Å; I156-R160 HydrophobicContact CG2-CG 4.46Å; I156-R160 WeakPolarHBondContact O-CB 3.46Å; I156-R160 WeakPolarHBondContact O-CG 3.06Å; I156-R160 PolarHBondContact O-N 3.47Å
157M90.7Very high87.8Confident73 Ų7364.9 Ų64.936%0.3633%0.325SS..Hα-helixtrans-63.2-39.1174.5-74.1-62.6110.500112.2F153 L154 I155 R161F153-M157 HydrophobicContact CD1-CG 4.06Å; F153-M157 HydrophobicContact CE1-CG 3.65Å; F153-M157 HydrophobicContact CE1-SD 4.46Å; F153-M157 HydrophobicContact CE2-CE 4.06Å; F153-M157 HydrophobicContact CE2-CG 4.34Å; F153-M157 HydrophobicContact CZ-CE 4.13Å; F153-M157 HydrophobicContact CZ-CG 3.81Å; F153-M157 HydrophobicContact CZ-SD 4.09Å; F153-M157 WeakPolarHBondContact O-CB 3.45Å; F153-M157 VanDerWaalsContact O-CG 3.31Å; F153-M157 WeakPolarHBondContact O-CG 3.13Å; F153-M157 PolarHBondContact O-N 2.8Å; L154-M157 PolarHBondContact O-N 2.84Å; I155-M157 PolarHBondContact O-N 3.02Å; M157-R161 VanDerWaalsContact O-CB 3.22Å; M157-R161 WeakPolarHBondContact O-CB 3.37Å; M157-R161 PolarHBondContact O-N 2.94Å
158F89.8Confident86.5Confident17 Ų1770.8 Ų70.88%0.07535%0.35CS..Hα-helixtrans-64.5-46.8176.1178.2-100.3000111.7R5 V8 V52 L60 L154 I155 I156 R161 H162R5-F158 HydrophobicContact CB-CE2 3.93Å; R5-F158 HydrophobicContact CG-CE2 3.9Å; R5-F158 HydrophobicContact CG-CZ 4.37Å; V8-F158 HydrophobicContact CG2-CB 3.99Å; V8-F158 HydrophobicContact CG2-CD2 4.41Å; V8-F158 HydrophobicContact CG2-CG 4.45Å; V52-F158 HydrophobicContact CG1-CZ 4.42Å; L60-F158 HydrophobicContact CD1-CD1 4Å; L60-F158 HydrophobicContact CD1-CE1 3.96Å; L154-F158 VanDerWaalsContact O-CB 3.3Å; L154-F158 WeakPolarHBondContact O-CB 3.09Å; L154-F158 PolarHBondContact O-N 3.1Å; I155-F158 WeakPolarHBondContact O-CB 3.25Å; I155-F158 PolarHBondContact O-N 3.29Å; I156-F158 VanDerWaalsContact C-N 3.35Å; F158-R161 PolarHBondContact O-N 3.26Å; F158-H162 WeakPolarHBondContact O-CB 3.45Å; F158-H162 PolarHBondContact O-N 2.94Å
159L89.6Confident85.3Confident46 Ų4679.2 Ų79.224%0.24138%0.382CS..Hα-helixtrans-62-51.1176.3-72.9175.2000111.9L60 L64 I155 I156 R161 H162 D163L60-L159 HydrophobicContact CB-CD1 4.22Å; L60-L159 HydrophobicContact CB-CD2 4.2Å; L60-L159 HydrophobicContact CD1-CD2 3.68Å; L60-L159 HydrophobicContact CD1-CG 4.27Å; L64-L159 HydrophobicContact CD1-CD1 3.58Å; I155-L159 HydrophobicContact CG2-CD1 4.28Å; I155-L159 WeakPolarHBondContact O-CG 3.42Å; I155-L159 PolarHBondContact O-N 3.44Å; I156-L159 PolarHBondContact O-N 3.43Å; L159-R161 PolarHBondContact O-N 3.34Å; L159-H162 WeakPolarHBondContact O-CB 3.47Å; L159-H162 PolarHBondContact O-N 3.11Å; L159-D163 PolarHBondContact O-N 2.96Å
160R88.5Confident84.1Confident153 Ų15375.2 Ų75.258%0.57737%0.374SS*.Hα-helixtrans-58.1-36.6176.2-71.3178.2-176.6174.73.2112.2I156 N164I156-R160 HydrophobicContact CG2-CG 4.46Å; I156-R160 WeakPolarHBondContact O-CB 3.46Å; I156-R160 WeakPolarHBondContact O-CG 3.06Å; I156-R160 PolarHBondContact O-N 3.47Å; R160-N164 WeakPolarHBondContact O-CB 3.43Å; R160-N164 PolarHBondContact O-N 2.99Å; R160-N164 VanDerWaalsContact O-N 3.08Å
161R86.5Confident83Confident187 Ų18776.2 Ų76.271%0.70638%0.378SS*.Hα-helixtrans-72.7-30.5176.4-167.169.3-168.1-148.57.6112.8M157 F158 L159 G165M157-R161 VanDerWaalsContact O-CB 3.22Å; M157-R161 WeakPolarHBondContact O-CB 3.37Å; M157-R161 PolarHBondContact O-N 2.94Å; F158-R161 PolarHBondContact O-N 3.26Å; L159-R161 PolarHBondContact O-N 3.34Å; R161-G165 PolarHBondContact O-N 3.32Å
162H82.4Confident82.1Confident109 Ų10979 Ų7951%0.50540%0.401SS..Hα-helixtrans-71.5-48.6174.2-171.3-86.9000111.1F158 L159 G165 G166F158-H162 WeakPolarHBondContact O-CB 3.45Å; F158-H162 PolarHBondContact O-N 2.94Å; L159-H162 WeakPolarHBondContact O-CB 3.47Å; L159-H162 PolarHBondContact O-N 3.11Å; H162-G165 CarbonylContact O-C 3.59Å; H162-G165 WeakPolarHBondContact O-CA 3.28Å; H162-G165 PolarHBondContact O-N 3.46Å; H162-G166 PolarHBondContact O-N 3.11Å
163D82.7Confident81.2Confident106 Ų10686.1 Ų86.157%0.56743%0.431SS*.Hα-helixtrans-60.4-48.7179.3-175.947.8000112.1L159 G165 G166 S167L159-D163 PolarHBondContact O-N 2.96Å; D163-G165 PolarHBondContact O-N 2.81Å; D163-G165 VanDerWaalsContact O-N 3.12Å; D163-G166 CarbonylContact O-C 3.57Å; D163-G166 WeakPolarHBondContact O-CA 3.24Å; D163-G166 PolarHBondContact O-N 2.74Å; D163-S167 WeakPolarHBondContact O-CB 3.44Å; D163-S167 PolarHBondContact O-N 3.31Å
164N79.9Confident80.3Confident94 Ų9488 Ų8850%0.50344%0.439SS..Hα-helixtrans-55.1-33.8172.1-74-7.2000112.8R160 Q168R160-N164 WeakPolarHBondContact O-CB 3.43Å; R160-N164 PolarHBondContact O-N 2.99Å; R160-N164 VanDerWaalsContact O-N 3.08Å; N164-Q168 VanDerWaalsContact O-CB 3.31Å; N164-Q168 WeakPolarHBondContact O-CB 3Å; N164-Q168 VanDerWaalsContact O-CG 3.25Å; N164-Q168 WeakPolarHBondContact O-CG 3.45Å; N164-Q168 PolarHBondContact O-N 3.02Å
165G72.5Confident79.3Confident27 Ų2791.3 Ų91.328%0.27846%0.457SS..Hα-helixtrans-75.4-31.5175.700000114R161 H162 D163 R169R161-G165 PolarHBondContact O-N 3.32Å; H162-G165 CarbonylContact O-C 3.59Å; H162-G165 WeakPolarHBondContact O-CA 3.28Å; H162-G165 PolarHBondContact O-N 3.46Å; D163-G165 PolarHBondContact O-N 2.81Å; D163-G165 VanDerWaalsContact O-N 3.12Å; G165-R169 WeakPolarHBondContact O-CB 3.24Å; G165-R169 WeakPolarHBondContact O-CD 3.37Å; G165-R169 VanDerWaalsContact O-CG 3.29Å; G165-R169 WeakPolarHBondContact O-CG 3.21Å; G165-R169 PolarHBondContact O-N 2.97Å
166G70.5Confident78.3Confident38 Ų3893.6 Ų93.639%0.39248%0.475SS..Hα-helixtrans-70-49.9170.900000111.5H162 D163 Q168 R169 A170H162-G166 PolarHBondContact O-N 3.11Å; D163-G166 CarbonylContact O-C 3.57Å; D163-G166 WeakPolarHBondContact O-CA 3.24Å; D163-G166 PolarHBondContact O-N 2.74Å; G166-Q168 PolarHBondContact O-N 3.12Å; G166-R169 WeakPolarHBondContact O-CB 3.1Å; G166-R169 PolarHBondContact O-N 3.09Å; G166-R169 VanDerWaalsContact O-N 3.12Å; G166-A170 PolarHBondContact O-N 3.3Å
167S70.7Confident77Confident51 Ų5193.2 Ų93.236%0.35748%0.478SS..Hα-helixtrans-58.2-47.5177-175.10000112.2D163 R169 A170 M171D163-S167 WeakPolarHBondContact O-CB 3.44Å; D163-S167 PolarHBondContact O-N 3.31Å; S167-R169 VanDerWaalsContact C-N 3.31Å; S167-R169 PolarHBondContact O-N 2.98Å; S167-A170 PolarHBondContact O-N 2.03Å; S167-M171 WeakPolarHBondContact O-CG 3.33Å; S167-M171 PolarHBondContact O-N 3.05Å
168Q67.9Low75.7Confident141 Ų14194.7 Ų94.766%0.65949%0.491SS*.Hα-helixtrans-60.2-37.5174-78.4-179.9-8.200113N164 G166 A172N164-Q168 VanDerWaalsContact O-CB 3.31Å; N164-Q168 WeakPolarHBondContact O-CB 3Å; N164-Q168 VanDerWaalsContact O-CG 3.25Å; N164-Q168 WeakPolarHBondContact O-CG 3.45Å; N164-Q168 PolarHBondContact O-N 3.02Å; G166-Q168 PolarHBondContact O-N 3.12Å; Q168-A172 VanDerWaalsContact O-CB 3.29Å; Q168-A172 WeakPolarHBondContact O-CB 3.44Å; Q168-A172 PolarHBondContact O-N 3.49Å
169R68.9Low74.3Confident179 Ų17999.5 Ų99.568%0.67552%0.517SS*.Hα-helixtrans-70.3-38.1175.3-78.1173.6167.1-169.7-7.1112.5G165 G166 S167 A172 F173G165-R169 WeakPolarHBondContact O-CB 3.24Å; G165-R169 WeakPolarHBondContact O-CD 3.37Å; G165-R169 VanDerWaalsContact O-CG 3.29Å; G165-R169 WeakPolarHBondContact O-CG 3.21Å; G165-R169 PolarHBondContact O-N 2.97Å; G166-R169 WeakPolarHBondContact O-CB 3.1Å; G166-R169 PolarHBondContact O-N 3.09Å; G166-R169 VanDerWaalsContact O-N 3.12Å; S167-R169 VanDerWaalsContact C-N 3.31Å; S167-R169 PolarHBondContact O-N 2.98Å; R169-A172 PolarHBondContact O-N 3.03Å; R169-F173 WeakPolarHBondContact O-CB 3.47Å; R169-F173 PolarHBondContact O-N 3.44Å
170A70.2Confident72.7Confident52 Ų52102.5 Ų102.543%0.4354%0.541SS..Hα-helixtrans-66.5-39.6175.400000111.8G166 S167 K174G166-A170 PolarHBondContact O-N 3.3Å; S167-A170 PolarHBondContact O-N 2.03Å; A170-K174 WeakPolarHBondContact O-CB 3.11Å; A170-K174 WeakPolarHBondContact O-CG 3.28Å; A170-K174 PolarHBondContact O-N 3.18Å
171M72.5Confident71Confident114 Ų114102.8 Ų102.856%0.56255%0.549SS*.Hα-helixtrans-65.8-46.3171.8-68.5-178.3-173.400111.6S167 F173 K174 N175S167-M171 WeakPolarHBondContact O-CG 3.33Å; S167-M171 PolarHBondContact O-N 3.05Å; M171-F173 VanDerWaalsContact C-N 3.33Å; M171-F173 PolarHBondContact O-N 3.33Å; M171-K174 PolarHBondContact O-N 3.35Å; M171-N175 PolarHBondContact O-N 3.2Å; M171-N175 PolarHBondContact O-OD1 3.11Å
172A74.3Confident69.4Low61 Ų6197.5 Ų97.550%0.50455%0.545SS..Hα-helixtrans-61.1-39.7177.400000112.6Q168 R169 N175 A176Q168-A172 VanDerWaalsContact O-CB 3.29Å; Q168-A172 WeakPolarHBondContact O-CB 3.44Å; Q168-A172 PolarHBondContact O-N 3.49Å; R169-A172 PolarHBondContact O-N 3.03Å; A172-N175 PolarHBondContact O-N 2.8Å; A172-A176 WeakPolarHBondContact O-CB 3.28Å; A172-A176 PolarHBondContact O-N 2.77Å
173F74.5Confident68Low156 Ų156100.1 Ų100.168%0.68456%0.557SS**Hα-helixtrans-67.1-40.9174.5-177.1-98.6000112.3R169 M171 S177R169-F173 WeakPolarHBondContact O-CB 3.47Å; R169-F173 PolarHBondContact O-N 3.44Å; M171-F173 VanDerWaalsContact C-N 3.33Å; M171-F173 PolarHBondContact O-N 3.33Å; F173-S177 VanDerWaalsContact O-CB 3.29Å; F173-S177 WeakPolarHBondContact O-CB 3.31Å; F173-S177 PolarHBondContact O-N 2.9Å
174K75.7Confident66.3Low148 Ų148100.1 Ų100.164%0.64356%0.563SS**Hα-helixtrans-61-45.6173.5-79-179.3176.5-172.80111.9A170 M171 S177 V178A170-K174 WeakPolarHBondContact O-CB 3.11Å; A170-K174 WeakPolarHBondContact O-CG 3.28Å; A170-K174 PolarHBondContact O-N 3.18Å; M171-K174 PolarHBondContact O-N 3.35Å; K174-S177 PolarHBondContact O-N 2.85Å; K174-V178 WeakPolarHBondContact O-CG2 3.26Å; K174-V178 PolarHBondContact O-N 3.08Å
175N73.5Confident64.7Low106 Ų106101.4 Ų101.457%0.56758%0.575SS**Hα-helixtrans-62.9-50.1178.3-69.115.3000111.2M171 A172 S177 V178 D179M171-N175 PolarHBondContact O-N 3.2Å; M171-N175 PolarHBondContact O-OD1 3.11Å; A172-N175 PolarHBondContact O-N 2.8Å; N175-S177 PolarHBondContact O-N 3.22Å; N175-V178 WeakPolarHBondContact O-CA 3.33Å; N175-V178 WeakPolarHBondContact O-CB 3.35Å; N175-V178 PolarHBondContact O-N 3.12Å; N175-D179 PolarHBondContact O-N 2.98Å
176A71.5Confident63.6Low47 Ų47105.6 Ų105.639%0.38860%0.595SS.*Hα-helixtrans-59-35.2176.200000112.6A172 V178 D179 C180A172-A176 WeakPolarHBondContact O-CB 3.28Å; A172-A176 PolarHBondContact O-N 2.77Å; A176-V178 VanDerWaalsContact C-N 3.34Å; A176-D179 PolarHBondContact O-N 3.24Å; A176-C180 WeakPolarHBondContact O-CB 3.48Å; A176-C180 PolarHBondContact O-N 3.26Å; A176-C180 PolarHBondContact O-SG 3.37Å
177S63.5Low62.6Low53 Ų53108.9 Ų108.937%0.37161%0.611SS.*Hα-helixtrans-70.1-26.8174.2-170.20000113.5F173 K174 N175 H181F173-S177 VanDerWaalsContact O-CB 3.29Å; F173-S177 WeakPolarHBondContact O-CB 3.31Å; F173-S177 PolarHBondContact O-N 2.9Å; K174-S177 PolarHBondContact O-N 2.85Å; N175-S177 PolarHBondContact O-N 3.22Å; S177-H181 PolarHBondContact O-CD2 3.35Å; S177-H181 VanDerWaalsContact O-CD2 3.26Å
178V64Low61.5Low104 Ų104111.3 Ų111.363%0.6362%0.624SS**Hα-helixtrans-75.2-43.8172169.30000110.1K174 N175 A176 C180 H181K174-V178 WeakPolarHBondContact O-CG2 3.26Å; K174-V178 PolarHBondContact O-N 3.08Å; N175-V178 WeakPolarHBondContact O-CA 3.33Å; N175-V178 WeakPolarHBondContact O-CB 3.35Å; N175-V178 PolarHBondContact O-N 3.12Å; A176-V178 VanDerWaalsContact C-N 3.34Å; V178-C180 VanDerWaalsContact C-N 3.26Å; V178-C180 PolarHBondContact O-N 2.87Å; V178-H181 PolarHBondContact O-N 3.39Å
179D59.7Low60.3Low117 Ų117113.5 Ų113.563%0.62663%0.634SS**Hα-helixtrans-60.1-37.1175.6-61.4-38.3000111.5N175 A176 H181 A182N175-D179 PolarHBondContact O-N 2.98Å; A176-D179 PolarHBondContact O-N 3.24Å; D179-H181 PolarHBondContact O-N 3.11Å; D179-A182 WeakPolarHBondContact O-CB 3.4Å; D179-A182 PolarHBondContact O-N 3.17Å
180C56.9Low59.2Low109 Ų109111.6 Ų111.674%0.73664%0.637SS**THydrogen-bonded Turntrans-73.1-5.8174.2-68.40000115.2A176 V178A176-C180 WeakPolarHBondContact O-CB 3.48Å; A176-C180 PolarHBondContact O-N 3.26Å; A176-C180 PolarHBondContact O-SG 3.37Å; V178-C180 VanDerWaalsContact C-N 3.26Å; V178-C180 PolarHBondContact O-N 2.87Å
181H53Low57.9Low159 Ų159113.7 Ų113.774%0.73665%0.654SS**THydrogen-bonded Turntrans-98.64.7170.6-87.1-63.7000113.3S177 V178 D179 E183S177-H181 PolarHBondContact O-CD2 3.35Å; S177-H181 VanDerWaalsContact O-CD2 3.26Å; V178-H181 PolarHBondContact O-N 3.39Å; D179-H181 PolarHBondContact O-N 3.11Å; H181-E183 PolarHBondContact O-N 3.28Å; H181-E183 VanDerWaalsContact O-N 3.14Å
182A52.8Low56.4Low76 Ų76117.1 Ų117.163%0.62867%0.671SS**SBendtrans-67.7105.8161.300000109.3D179 P184D179-A182 WeakPolarHBondContact O-CB 3.4Å; D179-A182 PolarHBondContact O-N 3.17Å; A182-P184 WeakPolarHBondContact O-CD 3.46Å
183E51.9Low54.9Low164 Ų164121.4 Ų121.477%0.76669%0.685SS**  trans-56.5119-174.9-171.3-177.1142.100111.6H181 T185H181-E183 PolarHBondContact O-N 3.28Å; H181-E183 VanDerWaalsContact O-N 3.14Å; E183-T185 PolarHBondContact O-N 2.89Å; E183-T185 PolarHBondContact O-OG1 2.82Å
184P47.9Very low53.4Low107 Ų107118.3 Ų118.370%0.69568%0.683SS**  trans-72.297.7179.129.2-33.3000109.1A182 V186A182-P184 WeakPolarHBondContact O-CD 3.46Å; P184-V186 PolarHBondContact O-N 3.28Å
185T45.8Very low51.9Low121 Ų121118.6 Ų118.674%0.74269%0.691SS**  trans-70.178.5179.8-43.40000110.9E183 S187E183-T185 PolarHBondContact O-N 2.89Å; E183-T185 PolarHBondContact O-OG1 2.82Å; T185-S187 PolarHBondContact O-N 2.94Å
186V49.7Very low50.3Low115 Ų115119.5 Ų119.570%0.69770%0.703SS**  trans-71.593.5176.2-177.20000108.9P184 V188P184-V186 PolarHBondContact O-N 3.28Å; V186-V188 VanDerWaalsContact C-N 3.26Å; V186-V188 HydrophobicContact CG1-CG2 3.96Å; V186-V188 PolarHBondContact O-N 3.44Å
187S49Very low49Very low106 Ų106122.6 Ų122.674%0.74172%0.722SS**  trans-72.476.8176.345.20000111.4T185 Q189T185-S187 PolarHBondContact O-N 2.94Å; S187-Q189 PolarHBondContact O-N 3.02Å
188V47.6Very low48.1Very low102 Ų102125.2 Ų125.262%0.61874%0.74SS**  trans-62.8102.2171.8-176.10000109V186 L190V186-V188 VanDerWaalsContact C-N 3.26Å; V186-V188 HydrophobicContact CG1-CG2 3.96Å; V186-V188 PolarHBondContact O-N 3.44Å; V188-L190 HydrophobicContact CB-CD1 4.35Å; V188-L190 HydrophobicContact CG1-CD1 3.88Å; V188-L190 HydrophobicContact CG1-CG 4.28Å; V188-L190 PolarHBondContact O-N 3.47Å
189Q43.9Very low47.3Very low187 Ų187124.9 Ų124.987%0.87475%0.748SS**  trans-71.894.7167.3-72-169-4.200109.1S187 A191S187-Q189 PolarHBondContact O-N 3.02Å; Q189-A191 PolarHBondContact O-N 3.34Å
190L44.6Very low46.7Very low140 Ų140128 Ų12873%0.73376%0.759SS**  trans-69.396.2166.2-75.198.6000109.1V188 M192V188-L190 HydrophobicContact CB-CD1 4.35Å; V188-L190 HydrophobicContact CG1-CD1 3.88Å; V188-L190 HydrophobicContact CG1-CG 4.28Å; V188-L190 PolarHBondContact O-N 3.47Å; L190-M192 PolarHBondContact O-N 3.14Å
191A42.9Very low45.8Very low95 Ų95127.6 Ų127.679%0.78576%0.755SS**  trans-6597168.100000109.4Q189 N193Q189-A191 PolarHBondContact O-N 3.34Å; A191-N193 VanDerWaalsContact C-N 3.29Å; A191-N193 PolarHBondContact O-N 3.08Å
192M42Very low45.4Very low187 Ų187131.4 Ų131.492%0.92176%0.763SS**  trans-68.684174.7-70.5-174.717400110.4L190L190-M192 PolarHBondContact O-N 3.14Å
193N43.4Very low44.8Very low151 Ų151134.7 Ų134.781%0.80777%0.77SS**  trans-84.7128.1166-166.614000109.7A191A191-N193 VanDerWaalsContact C-N 3.29Å; A191-N193 PolarHBondContact O-N 3.08Å
194S41.9Very low44.3Very low90 Ų90136.3 Ų136.363%0.62978%0.777SS**  trans-74.7128.3-179.452.40000111.9
195N44.9Very low43.7Very low155 Ų155137.2 Ų137.283%0.82978%0.781SS**  trans-179.7127.7135.7-90.8-24.3000111.2
196P39.7Very low43.3Very low125 Ų125136.5 Ų136.581%0.81278%0.78SS**  trans-103.6121175.535-28000113.2
197S44.4Very low42.7Very low111 Ų111137 Ų13778%0.77678%0.784SS**  trans-167139.6155.1380000114.8
198S44.5Very low42.1Very low109 Ų109137.3 Ų137.376%0.76278%0.778SS**  trans53.1116.1151.457.50000122.4
199A46.3Very low41.6Very low96 Ų96140.3 Ų140.379%0.79378%0.782SS**  trans68.7146.8141.700000120.2
200E47.7Very low41.4Very low182 Ų182137.5 Ų137.585%0.8578%0.778SS**  cis-154.3163.2-20.5-112.8-164.7146.400109.4
201P37.2Very low41Very low102 Ų102140.1 Ų140.166%0.66279%0.786SS**  trans-104.9144.9-164.637.7-32.9000116.1
202W44.6Very low40.7Very low239 Ų239139 Ų13991%0.90578%0.783SS**  trans-135.2105.4152.8-6491.7000108.8
203L40.6Very low40.6Very low145 Ų145138.3 Ų138.376%0.75978%0.782SS**  65.781.784-102164.5000115.2
204Q42.7Very low40.4Very low197 Ų197135.2 Ų135.292%0.92178%0.777SS**  trans-161.2120.1135.7-113.2166.62.200111.4
205T33.9Very low40.3Very low127 Ų127138.9 Ų138.978%0.77979%0.79SS**  trans-146.4154.4-178.5-18.60000109.6
206S37.6Very low40Very low105 Ų105141.3 Ų141.373%0.73479%0.793SS**  trans74143.6172.484.50000117.5
207T37.9Very low39.7Very low125 Ų125140 Ų14077%0.76779%0.787SS**  cis-169.9162-26.829.20000109.5
208D34.8Very low39.1Very low114 Ų114143.5 Ų143.561%0.6179%0.788SS**  trans87.7136.8141-126.1-17.9000122
209K38.3Very low38.7Very low164 Ų164146.4 Ų146.471%0.71379%0.79SS**  trans58.9148.8157.4-72141.2-168.3158.50119
210T38.7Very low38Very low129 Ų129149.5 Ų149.579%0.79179%0.786SS**  cis-151.1166.59.2-15.90000113.8
211H37.1Very low37.4Very low194 Ų194147.6 Ų147.690%0.89878%0.782SS**  trans-41.8156.5175.1-77.2-118.4000120.3
212G37.3Very low37.2Very low71 Ų71152 Ų15273%0.73279%0.793SS**  trans134.6146.6146.100000115.5
213I38.4Very low36.6Very low173 Ų173145.5 Ų145.589%0.88779%0.785SS**  cis-141.2152.5-7-80.6179.4000109.4
214A40.2Very low36.2Very low86 Ų86148.5 Ų148.571%0.71179%0.792SS**  trans-66166.4-172.300000117.8
215N39.3Very low35.8Very low168 Ų168146.8 Ų146.890%0.89878%0.784SS**  trans-55.5142.3166.5-68.9-41.1000112
216K37.8Very low35.6Very low206 Ų206148.9 Ų148.990%0.89679%0.789SS**  trans-98.3108.5167.8-72.1-174.7175.1-177.30111.1
217S35.3Very low35.5Very low98 Ų98150.1 Ų150.169%0.68579%0.788SS**  trans-66.8153.8148.743.60000109.3
218F31.8Very low35.2Very low183 Ų183150 Ų15080%0.80379%0.787SS**  trans-120.288.1175-175.2-91.9000108.2F220F218-F220 HydrophobicContact CE1-CB 4.12Å; F218-F220 HydrophobicContact CZ-CD2 4.29Å
219E34.9Very low35.1Very low170 Ų170151.5 Ų151.579%0.79480%0.8SS**  trans-89.5144.6162-80.3157.6106.600108.5
220F31.7Very low34.8Very low161 Ų161148.3 Ų148.371%0.70680%0.804SS**  trans-129.399.3-178.5-178.8-88.8000107.1F218F218-F220 HydrophobicContact CE1-CB 4.12Å; F218-F220 HydrophobicContact CZ-CD2 4.29Å
221D35.5Very low34.5Very low143 Ų143146.9 Ų146.977%0.76580%0.799SS**  trans-73.7131.5178-91.2-50.7000111.1S223D221-S223 PolarHBondContact O-N 2.88Å; D221-S223 VanDerWaalsContact O-N 3.11Å
222E33.1Very low34.3Very low193 Ų193148.5 Ų148.590%0.90280%0.798SS**  trans-7892.7172.6-70.4-168.6110.500110.5
223S32.1Very low34Very low104 Ų104155.7 Ų155.773%0.72780%0.804SS**  trans-144.191.1166.6490000111.6D221D221-S223 PolarHBondContact O-N 2.88Å; D221-S223 VanDerWaalsContact O-N 3.11Å
224F32Very low33.6Very low208 Ų208157 Ų15791%0.91280%0.8SS**  trans-123.4117.4163.2-158.5-89.9000109.5
225E34.8Very low33.4Very low161 Ų161158.8 Ų158.875%0.75280%0.804SS**  trans-72.3153.4-169.6-69.5-161.9123.800114.1N227E225-N227 PolarHBondContact O-N 3.24Å
226L29.9Very low33.2Very low170 Ų170157.1 Ų157.189%0.8980%0.799SS**  trans-68.2109.2174.6-166.184.3000110.4
227N34.4Very low33.2Very low131 Ų131152.4 Ų152.470%0.70179%0.79SS**  trans-129.583.4175.3-102.8-57.5000114.6E225E225-N227 PolarHBondContact O-N 3.24Å
228T31Very low33Very low123 Ų123155.7 Ų155.776%0.75580%0.8SS**  51.876.6123.2-410000118.6
229V34Very low33.1Very low146 Ų146156.9 Ų156.989%0.88580%0.8SS**  trans-137.6128.7147.7-176.60000109.8
230A31.5Very low33.2Very low97 Ų97160.2 Ų160.280%0.80281%0.806SS**  trans-110.2125.4177.800000112
231S32.8Very low33.4Very low98 Ų98163.1 Ų163.169%0.68581%0.812SS**  trans-138.6104.5164-175.80000107.4
232R32.8Very low33.2Very low228 Ų228160.9 Ų160.986%0.8681%0.807SS**  60.9126.478.2-66.2-164-178.1-156.93113.5
233Y29.8Very low33.4Very low222 Ų222155.1 Ų155.187%0.87179%0.793SS**  trans-68.9155.2-170.9-60.7-97.1000114.9
234Y31.4Very low33.5Very low202 Ų202157.5 Ų157.579%0.79279%0.792SS**  trans-135.6123.6152-69.3-79.4000110.3
235P35.1Very low33.9Very low123 Ų123150 Ų15080%0.79977%0.774SS**  trans-81.4137.6163.832.8-31000110
236V36Very low34.1Very low132 Ų132146.7 Ų146.780%0.877%0.769SS**  trans-117.2136.1180-177.80000110.3
237P36.4Very low34.5Very low108 Ų108149 Ų14970%0.70177%0.766SS**  trans-84.6160.8-164-12.430.9000115.7Y239P237-Y239 PolarHBondContact O-N 3.17Å
238N31.2Very low35Very low167 Ų167150.2 Ų150.289%0.89377%0.771SS**  trans-55.4121.4172.1-121.6-70.5000112.3
239Y34.6Very low35.6Very low208 Ų208149.3 Ų149.382%0.81677%0.765SS**  trans-113.699.4176.2-125.3-74.3000113.3P237 R241P237-Y239 PolarHBondContact O-N 3.17Å; Y239-R241 PolarHBondContact O-N 3.26Å
240R36.2Very low35.9Very low240 Ų240151.4 Ų151.491%0.90676%0.763SS**  trans-81.689.2-178.7-170.2-173.8-163.9177.85.6111.4S242R240-S242 PolarHBondContact O-N 3.04Å
241R35.9Very low36.4Very low221 Ų221154.4 Ų154.483%0.83476%0.757SS**  trans-91.188169.8-81.6-167.2178.9-175.82.5112.2Y239 A243Y239-R241 PolarHBondContact O-N 3.26Å; R241-A243 HydrophobicContact CB-CB 4.5Å
242S32.8Very low37Very low96 Ų96155 Ų15567%0.67175%0.753SS**  trans-90.2112.2144.4-179.80000106.8R240R240-S242 PolarHBondContact O-N 3.04Å
243A36Very low37.4Very low72 Ų72153.6 Ų153.660%0.59575%0.748SS**  trans-136.438.4-16600000113.2R241R241-A243 HydrophobicContact CB-CB 4.5Å
244E35.9Very low38.1Very low154 Ų154147 Ų14772%0.7273%0.734SS**SBendtrans-140-39.2171.3-152.359.9-100.900113.2S246E244-S246 PolarHBondContact O-N 3.07Å
245G39.2Very low38.8Very low51 Ų51146.8 Ų146.853%0.52673%0.732SS.*THydrogen-bonded Turntrans-63.4-17.2-178.900000116.1R247G245-R247 PolarHBondContact O-N 2.82Å
246S38.7Very low39.2Very low92 Ų92147.8 Ų147.864%0.64372%0.724SS**THydrogen-bonded Turntrans-80.6-11.9-169.9-51.90000115.5E244E244-S246 PolarHBondContact O-N 3.07Å
247R39.5Very low39.8Very low218 Ų218145.3 Ų145.382%0.82371%0.709SS**THydrogen-bonded Turntrans-84.5-30.3-177.3-78.7-177.1169179-3.1114.2G245G245-R247 PolarHBondContact O-N 2.82Å
248L43.5Very low40.1Very low157 Ų157145.1 Ų145.182%0.82270%0.702SS**G310 helixtrans-79.3-27.5-179.4-73.4168.6000113.9K250L248-K250 PolarHBondContact O-N 3.16Å; L248-K250 VanDerWaalsContact O-N 3.1Å
249V44Very low40.9Very low103 Ų103146.5 Ų146.562%0.62470%0.695SS**G310 helixtrans-65.7-16-178-178.10000113
250K41.1Very low41.5Very low191 Ų191141.7 Ų141.783%0.8368%0.682SS**G310 helixtrans-83.1-18.6-174.9-139.5177.5-176.3-175.80115.2L248L248-K250 PolarHBondContact O-N 3.16Å; L248-K250 VanDerWaalsContact O-N 3.1Å
251K41.6Very low42.1Very low160 Ų160139.9 Ų139.970%0.69668%0.676SS**G310 helixtrans-91.2-0.8-177.5-162.6160.9-177.5169.60114.8V424K251-V424 PolarHBondContact NZ-O 3.34Å
252N45.3Very low42.8Very low111 Ų111137.2 Ų137.259%0.59467%0.672SS**SBendtrans-131.910.9-179.8-145.3-2.9000115.5S254N252-S254 VanDerWaalsContact C-N 3.26Å; N252-S254 PolarHBondContact O-N 2.97Å
253R40.7Very low43.2Very low198 Ų198136.4 Ų136.475%0.74767%0.667SS**SBendtrans-74.1-8.2-174.2-156.2174.1-176.4-170.80.8114.7V257R253-V257 WeakPolarHBondContact O-CG2 3.42Å
254S45.6Very low43.4Very low84 Ų84139.5 Ų139.559%0.58767%0.674SS**SBendtrans-78.6-43.2175.147.10000113N252 F256N252-S254 VanDerWaalsContact C-N 3.26Å; N252-S254 PolarHBondContact O-N 2.97Å; S254-F256 VanDerWaalsContact C-N 3.35Å; S254-F256 PolarHBondContact O-N 3.06Å
255R46.3Very low43.6Very low196 Ų196138.7 Ų138.774%0.7467%0.673SS**THydrogen-bonded Turntrans-80.9-4.3-170.7-72.4-174.8173.2-177.7-1.1116.2
256F41.8Very low43.6Very low145 Ų145142 Ų14264%0.63669%0.685SS**THydrogen-bonded Turntrans-100.7-21.2177.4-161.4-101.3000113.4S254 L260S254-F256 VanDerWaalsContact C-N 3.35Å; S254-F256 PolarHBondContact O-N 3.06Å; F256-L260 HydrophobicContact CD1-CD1 4.17Å; F256-L260 HydrophobicContact CE1-CD1 3.72Å; F256-L260 HydrophobicContact CZ-CD1 4.47Å
257V48.5Very low43.5Very low79 Ų79146.2 Ų146.248%0.47969%0.694SS.*THydrogen-bonded Turntrans-75.6-37.1-177.7176.70000111.5R253 L260R253-V257 WeakPolarHBondContact O-CG2 3.42Å; V257-L260 PolarHBondContact O-N 2.76Å
258D44.2Very low43.4Very low104 Ų104141.8 Ų141.856%0.55669%0.692SS**G310 helixtrans-70.8-32.6-179.7-60.9-40000112.8L260 R261D258-L260 VanDerWaalsContact C-N 3.28Å; D258-L260 PolarHBondContact O-N 3.48Å; D258-R261 WeakPolarHBondContact O-CB 3.29Å; D258-R261 PolarHBondContact O-N 3.39Å
259R47.8Very low43Very low197 Ų197140.3 Ų140.374%0.74369%0.692SS**G310 helixtrans-72-17.7179.8-113.7-170-80.9-156.5-3.5114.4
260L47.1Very low42.6Very low107 Ų107147.3 Ų147.356%0.5671%0.707SS**G310 helixtrans-93.22.1170-71.9170.7000113F256 V257 D258F256-L260 HydrophobicContact CD1-CD1 4.17Å; F256-L260 HydrophobicContact CE1-CD1 3.72Å; F256-L260 HydrophobicContact CZ-CD1 4.47Å; V257-L260 PolarHBondContact O-N 2.76Å; D258-L260 VanDerWaalsContact C-N 3.28Å; D258-L260 PolarHBondContact O-N 3.48Å
261R48.4Very low42.2Very low202 Ų202143.2 Ų143.276%0.76270%0.702SS**SBendtrans-100.7-8-179-150.8171.6-167.9153.34.6114.1D258D258-R261 WeakPolarHBondContact O-CB 3.29Å; D258-R261 PolarHBondContact O-N 3.39Å
262Q49.9Very low41.9Very low164 Ų164140.4 Ų140.477%0.76670%0.703SS**SBendtrans-107-5.7178.7-71.3-179-38.300114.1
263S43.1Very low41.4Very low80 Ų80140.3 Ų140.356%0.55971%0.711SS**SBendtrans-99.317.4-17668.30000114.7
264N39Very low41Very low137 Ų137137.9 Ų137.973%0.73371%0.712SS**  trans-137.378.7-179.2-81.6-52.9000110.5
265I40.9Very low40.6Very low137 Ų137142 Ų14270%0.70372%0.721SS**  trans-125.9107.5167.7-58.1178.4000107.3E267I265-E267 HydrophobicContact CG2-CG 4.2Å
266P38.3Very low40.1Very low119 Ų119136.7 Ų136.777%0.77372%0.719SS**  trans-91.7100.3175.733-29.3000110.4T268P266-T268 PolarHBondContact O-N 3.23Å
267E37.1Very low39.8Very low181 Ų181135.2 Ų135.285%0.84672%0.723SS**  trans-80.5114.3172.7-67.2-160.4131.800111.2I265I265-E267 HydrophobicContact CG2-CG 4.2Å
268T36.5Very low39.3Very low126 Ų126139.4 Ų139.477%0.77374%0.737SS**  trans-81.2137.2175.751.50000111.5P266P266-T268 PolarHBondContact O-N 3.23Å
269P36.8Very low39.1Very low126 Ų126138.8 Ų138.882%0.81875%0.746SS**  trans-74.1140.8-179.830.8-35.2000112.3
270R34Very low39Very low250 Ų250135 Ų13594%0.94375%0.747SS**  trans-143149.3161.5-110.8-179.4-171.6160.25112.7
271S33.4Very low38.8Very low104 Ų104137.9 Ų137.973%0.72776%0.763SS**  trans-79.9162.5-164.151.30000116.7
272S34.3Very low38.4Very low102 Ų102131.9 Ų131.971%0.71376%0.757SS**  trans100.6140.1134.174.90000120.8
273S35.3Very low37.9Very low108 Ų108132.7 Ų132.776%0.75576%0.76SS**  trans71.2146.5162.4790000117.5
274L32.3Very low37.5Very low148 Ų148134.9 Ų134.978%0.77577%0.765SS**  cis-160.4-173.6-24.6-142.7110.9000109.6
275H36.8Very low37.5Very low169 Ų169134.2 Ų134.278%0.78276%0.761SS**  trans77.3127.8-177.5-60-91.7000114.5
276A36.3Very low37.6Very low85 Ų85135.5 Ų135.570%0.70276%0.764SS**  cis80.2135.339.600000112.9
277T36.7Very low37.5Very low115 Ų115134.6 Ų134.671%0.70676%0.76SS**  cis-118-165.5-2.727.60000111.1
278E37Very low37.6Very low167 Ų167131.4 Ų131.478%0.7875%0.754SS**  cis-147-150.914.5-152.764.4-94.800111.1
279A40.1Very low37.5Very low91 Ų91136.1 Ų136.175%0.75276%0.757SS**  trans-133167.3-170.400000115.2
280P46.5Very low37.6Very low117 Ų117133.5 Ų133.576%0.7674%0.742SS**  trans-118.5166.9-166.942.4-32000116.8
281D42.6Very low37.7Very low168 Ų168131.2 Ų131.290%0.89874%0.739SS**  trans-147.8162.4165.1-75.4-57.9000108.2
282A39.8Very low37.7Very low76 Ų76129.4 Ų129.463%0.62874%0.737SS**  cis-169.2160.4-31.200000108.2
283E38.5Very low38.1Very low180 Ų180130.8 Ų130.884%0.84174%0.743SS**  trans63.5164.1167.2-52.6-164114.600117.3
284L36.3Very low38.1Very low126 Ų126130.5 Ų130.566%0.6674%0.741SS**  cis-148.8136.5-5.4-155.167.6000113.1
285L38.8Very low38.3Very low123 Ų123130.6 Ų130.664%0.64474%0.742SS**  trans49.1142.8148.1-74.3173.5000126.5
286H41.9Very low38.2Very low164 Ų164126.1 Ų126.176%0.75974%0.735SS**  trans70.3143.6154.5-62.4-48.9000119.3
287S37.1Very low38.1Very low101 Ų101127.9 Ų127.971%0.70674%0.742SS**  cis-140.915411.7-157.80000115.9
288T37.9Very low38Very low114 Ų114127.2 Ų127.270%0.69974%0.742SS**  trans-45.9168.6161.636.50000116.2
289R35.7Very low37.5Very low225 Ų225126.3 Ų126.385%0.84974%0.742SS**  cis-165.8171.59.7-118.6-172.1175.9139.50.1106.3
290S37.8Very low37.3Very low71 Ų71128 Ų12850%0.49774%0.743SS.*  cis176.8160.1-29.650.60000110.3
291F35.9Very low36.6Very low202 Ų202128.3 Ų128.389%0.88674%0.737SS**  trans72.2148.3176.2-53.6-73.8000116.2
292G34.6Very low36.1Very low66 Ų66127.3 Ų127.368%0.6873%0.732SS**  cis172.1135.6-8.100000111.6
293P42.1Very low35.6Very low130 Ų130128 Ų12884%0.84473%0.732SS**  trans-94.2165.4-179.238.2-35.7000112.7
294S35.7Very low35.2Very low103 Ų103124.6 Ų124.672%0.7273%0.728SS**  trans-177.7162.3137.6-121.50000113.6
295D36.4Very low35.2Very low149 Ų149122.6 Ų122.680%0.79774%0.738SS**  trans65.9154.4153.3-54.9-26000121.7
296A35.3Very low34.8Very low76 Ų76123.3 Ų123.363%0.62875%0.748SS**  cis-175.5144.9-35.800000109.2
297S33.4Very low34.4Very low122 Ų122120.6 Ų120.685%0.85375%0.747SS**  trans64.1163.1157.9-67.80000117.1
298S33.8Very low34.4Very low101 Ų101120.1 Ų120.171%0.70674%0.744SS**  cis-152.6158.7-9.139.70000111.4
299L27.4Very low34.2Very low148 Ų148121.8 Ų121.878%0.77575%0.749SS**  trans2.2135.3138.7-53.4165000116.3
300V35.1Very low34Very low126 Ų126118.4 Ų118.476%0.76474%0.744SS**  -163.2127.474.7147.90000108.7
301L33Very low33.7Very low124 Ų124120.1 Ų120.165%0.64975%0.752SS**  77.4115.770.5-103.9169.3000115.7
302N31.3Very low33.6Very low147 Ų147118 Ų11879%0.78675%0.75SS**  trans64.8159.7151.5-77.22.1000120.3
303S30Very low33.3Very low90 Ų90117.9 Ų117.963%0.62975%0.749SS**  cis-172.4159.7-23.1173.50000110.1
304S30.6Very low32.7Very low108 Ų108118.2 Ų118.276%0.75575%0.753SS**  trans46.1105.3149.157.20000119.8
305G35.5Very low32.5Very low85 Ų85122.6 Ų122.688%0.87676%0.759SS**  trans-136.781.4164.300000111.8
306T30.3Very low32.1Very low137 Ų137124.2 Ų124.284%0.8477%0.767SS**  trans-91.4120.6-176.447.80000113.1
307S34.2Very low31.9Very low108 Ų108128 Ų12876%0.75577%0.769SS**  trans-161.4124.8147.160.30000114.7
308S35.7Very low31.6Very low91 Ų91130.1 Ų130.164%0.63677%0.771SS**  trans60.2131.414163.60000122.3
309N33.7Very low31.4Very low149 Ų149134 Ų13480%0.79777%0.771SS**  trans80.1139.2151.8-53.6-15.3000118.2
310M32.2Very low31.6Very low153 Ų153133.5 Ų133.575%0.75477%0.77SS**  cis-168.3139.2-20.6-173.9159.2108.100108.1
311T32.4Very low31.4Very low108 Ų108136.4 Ų136.466%0.66377%0.772SS**  trans55.8134.2167.448.50000117.5
312D33.5Very low31.4Very low156 Ų156135.9 Ų135.983%0.83477%0.774SS**  cis-149.6161.80.8-90.1-40.6000110.4
313G28.4Very low31.4Very low64 Ų64137 Ų13766%0.6677%0.774SS**  trans-137119.6173.800000112.4
314C28.7Very low31.4Very low137 Ų137138.6 Ų138.693%0.92678%0.78SS**PPolyproline II helixtrans-100.7118.4173.9-82.90000111.4
315F32.7Very low31.4Very low196 Ų196139 Ų13986%0.8678%0.778SS**PPolyproline II helixtrans-76.6144177.3-82.6-109.1000112.1K317F315-K317 PolarHBondContact O-N 2.87Å
316L27.2Very low31Very low183 Ų183142.5 Ų142.596%0.95878%0.776SS**PPolyproline II helixtrans-56127.5159.8-84.7160.1000109.8
317K30.5Very low31Very low154 Ų154141.1 Ų141.167%0.6777%0.767SS**  trans-135.1114.6175.5-158.9176.1-174.4-173.90110.8F315 Y319F315-K317 PolarHBondContact O-N 2.87Å; K317-Y319 HydrophobicContact CD-CE2 4.01Å; K317-Y319 HydrophobicContact CG-CE2 4.47Å; K317-Y319 PolarHBondContact O-N 3.11Å
318N28.1Very low30.8Very low167 Ų167144.7 Ų144.789%0.89377%0.771SS**  trans-55.8129164.9-78.6-44.6000109
319Y29.7Very low30.6Very low182 Ų182144.1 Ų144.171%0.71478%0.78SS**  trans-114.6110.5171-105.2-74.2000110.9K317K317-Y319 HydrophobicContact CD-CE2 4.01Å; K317-Y319 HydrophobicContact CG-CE2 4.47Å; K317-Y319 PolarHBondContact O-N 3.11Å
320D30.4Very low30.6Very low139 Ų139145 Ų14574%0.74379%0.785SS**  trans-74169.3158.1-162.93.9000109.7T322D320-T322 PolarHBondContact O-N 3.28Å
321K31.2Very low30.6Very low187 Ų187142.6 Ų142.681%0.81378%0.78SS**SBendtrans-76.2108.2-165.1-58.7160.5-175.9165.30113.3
322T32.7Very low30.5Very low113 Ų113145.1 Ų145.169%0.69379%0.789SS**  trans-164.5120.1140.437.90000112D320D320-T322 PolarHBondContact O-N 3.28Å
323H32Very low30.5Very low171 Ų171147.2 Ų147.279%0.79279%0.794SS**  trans51.1147.9145.2-70-86.3000123.1
324T30.1Very low30.7Very low122 Ų122150.4 Ų150.475%0.74880%0.801SS**  trans75.2112.9150.643.60000121.8
325V29.6Very low30.8Very low117 Ų117149.8 Ų149.871%0.70980%0.795SS**  98.8116.8116.6164.70000120.8
326L28Very low30.8Very low159 Ų159146.6 Ų146.683%0.83280%0.796SS**  trans65.8147.2154.3-63168.2000117.5
327V30.3Very low31Very low107 Ų107148.9 Ų148.965%0.64879%0.792SS**  cis-170.6164.625.694.60000112.2
328Q29.6Very low31.2Very low183 Ų183149.2 Ų149.286%0.85580%0.801SS**  trans50.4121.2161.9-71.6169.9-70.300122.3
329G32.2Very low31.5Very low80 Ų80147.5 Ų147.583%0.82580%0.796SS**  trans-15590.7152.700000110.3
330N32.1Very low31.6Very low168 Ų168145.4 Ų145.490%0.89880%0.802SS**  trans-93.6155.8179.7-126.921.1000111.2
331P33.7Very low31.8Very low101 Ų101147.8 Ų147.866%0.65681%0.809SS**  trans-93.6-179.4-154.936.2-37.8000116.3
332L29.2Very low31.8Very low162 Ų162142.5 Ų142.585%0.84880%0.8SS**  trans77.2104.5179.6-67.988.5000117.1
333Q33.7Very low31.9Very low199 Ų199144.5 Ų144.593%0.9381%0.806SS**  -150.5135.7123.2-113.7171.521.700111.3
334T32.9Very low32.1Very low132 Ų132144.3 Ų144.381%0.8181%0.805SS**PPolyproline II helixtrans-91.3157.9177.229.40000111.3
335P31.9Very low32.3Very low123 Ų123144.1 Ų144.180%0.79981%0.809SS**PPolyproline II helixtrans-77.7135.3-165.729.7-35.7000113.8
336C30.7Very low32.6Very low130 Ų130142.5 Ų142.588%0.87882%0.816SS**PPolyproline II helixtrans-73.5138.1167.7-77.70000111.6
337R31.5Very low33Very low230 Ų230140.5 Ų140.587%0.86882%0.815SS**  trans-102.4105.8-171.2175.1-172.3-174.9174.41.6109.8
338N35Very low33.4Very low162 Ų162140.2 Ų140.287%0.86682%0.816SS**PPolyproline II helixtrans-71138.4173.1-79.1-5.2000111
339V34.6Very low33.7Very low130 Ų130137.3 Ų137.379%0.78881%0.811SS**PPolyproline II helixtrans-92.8142.2-171.3172.50000110.7
340V31.5Very low33.9Very low139 Ų139139.5 Ų139.584%0.84281%0.808SS**PPolyproline II helixtrans-78.7123.1171.4175.50000109.6
341Q34.7Very low34Very low188 Ų188135.8 Ų135.888%0.87980%0.796SS**  trans-146.4130.7152.1-160.8161.4-4.700109.5
342A31.1Very low34.1Very low76 Ų76137.3 Ų137.363%0.62880%0.798SS**  trans-100.7149.9-177.700000111
343N35.4Very low34.4Very low156 Ų156138 Ų13883%0.83480%0.797SS**  trans-162.7121.3134.6-101.7-22.5000113.7
344H36.6Very low34.4Very low166 Ų166132.3 Ų132.377%0.76979%0.792SS**  trans7.1130.4153.8-69.2-87.5000123.2
345S34.5Very low34.4Very low119 Ų119133 Ų13383%0.83279%0.785SS**  trans64.7112.5133.664.20000121.6
346G35.9Very low34.4Very low83 Ų83136.8 Ų136.886%0.85679%0.789SS**  trans179.8126.8159.700000110.1
347S35.4Very low34.4Very low116 Ų116136 Ų13681%0.81178%0.777SS**  trans-158166.4-170.7-1640000109.7
348P39.6Very low34.5Very low102 Ų102136.2 Ų136.266%0.66278%0.779SS**  -126-178.2-59.838.7-25.5000111.1
349T36.1Very low34.2Very low121 Ų121132.4 Ų132.474%0.74277%0.77SS**  trans164.2141130.546.90000113.6
350T36.2Very low34.1Very low126 Ų126131.6 Ų131.677%0.77377%0.77SS**  trans44.2143.9144.958.20000122.1
351S34.6Very low34.2Very low91 Ų91129.9 Ų129.964%0.63676%0.76SS**  cis-168.4-171.1-14.455.90000108.6
352D34.3Very low34Very low132 Ų132131.5 Ų131.571%0.70676%0.759SS**  trans70.2145.9166.3-60.231.7000117.2
353H36Very low33.9Very low177 Ų177132.7 Ų132.782%0.81977%0.769SS**  cis-157.4131.6-34.9-121.1-59.2000107.4
354G34.4Very low33.8Very low80 Ų80132.5 Ų132.583%0.82577%0.773SS**  trans-167.6120.9179.300000112.1
355H32.5Very low33.5Very low146 Ų146128 Ų12868%0.67677%0.771SS**  trans-121.4128.7-161.317827.7000111.3D357H355-D357 IonicContact CE1-OD1 3.66Å; H355-D357 IonicContact CE1-OD2 3.31Å; H355-D357 PolarHBondContact CE1-OD2 3.19Å; H355-D357 VanDerWaalsContact CE1-OD2 3.31Å
356F31.2Very low33.3Very low202 Ų202127.6 Ų127.689%0.88678%0.775SS**  trans-152.8122.5160.9-115.3-77.6000109.8
357D31.7Very low33.2Very low115 Ų115128.1 Ų128.162%0.61577%0.772SS**  trans-90.8144.7-179.8-79.2-31.6000112.7H355H355-D357 IonicContact CE1-OD1 3.66Å; H355-D357 IonicContact CE1-OD2 3.31Å; H355-D357 PolarHBondContact CE1-OD2 3.19Å; H355-D357 VanDerWaalsContact CE1-OD2 3.31Å
358Y32.5Very low33Very low234 Ų234130.2 Ų130.292%0.91877%0.774SS**  trans-138.494.1149.9-98.5-84.9000109
359A29.6Very low32.7Very low81 Ų81133.5 Ų133.567%0.66978%0.778SS**  trans-120.9156.2174.200000110.5
360S32.3Very low32.6Very low113 Ų113136 Ų13679%0.7978%0.781SS**  trans67.8144.1-156.384.60000112.6
361V33.2Very low32.4Very low104 Ų104137 Ų13763%0.6378%0.782SS**SBendcis-130.6162.416.7-166.20000110.7
362Y30.6Very low32.4Very low222 Ų222135.9 Ų135.987%0.87178%0.779SS**  trans79.583.4170.2-51-71.1000117.9
363A29.2Very low32.4Very low100 Ų100137.8 Ų137.883%0.82678%0.783SS**  trans-133.597.7157.200000110.3
364V34.2Very low32.3Very low152 Ų152138.8 Ų138.892%0.92179%0.785SS**  trans-146.5129169.6179.90000109.1
365G30.3Very low32.4Very low71 Ų71140.6 Ų140.673%0.73278%0.775SS**  trans87.558.9159.100000116.9
366A30.2Very low32.7Very low111 Ų111138.5 Ų138.592%0.91777%0.774SS**  trans-71.4128.8146.400000108.5
367A33.6Very low32.9Very low94 Ų94136.7 Ų136.778%0.77777%0.766SS**  trans-153.1136.217000000108
368D30.4Very low33Very low160 Ų160142.8 Ų142.886%0.85678%0.781SS**  trans-64.3136.6-173.2-66.5-76.4000113.2
369F33.3Very low32.9Very low171 Ų171141.8 Ų141.875%0.7578%0.775SS**  trans-14976.5160.9-143.2-80.6000112D371 A372F369-D371 WeakPolarHBondContact CE1-O 3.38Å; F369-A372 HydrophobicContact CD1-CB 4.23Å; F369-A372 HydrophobicContact CE1-CB 3.85Å
370Q35.4Very low33.3Very low174 Ų174145.5 Ų145.581%0.81378%0.783SS**  trans-73.7160.6150.7-65.6-176.8-6.400108.7
371D31.5Very low33.2Very low146 Ų146144.4 Ų144.478%0.78178%0.781SS**  trans65.668.8176.3-62.7-23.7000119.2F369F369-D371 WeakPolarHBondContact CE1-O 3.38Å
372A33.6Very low33.2Very low69 Ų69148.1 Ų148.157%0.5779%0.791SS**  trans-122.469.4155.100000112.6F369 F374F369-A372 HydrophobicContact CD1-CB 4.23Å; F369-A372 HydrophobicContact CE1-CB 3.85Å; A372-F374 PolarHBondContact O-N 3.48Å
373Q35.1Very low33.6Very low171 Ų171142.5 Ų142.580%0.79978%0.781SS**  trans-75.384.4167.7-71.9-168.316.100111.7
374F32.6Very low33.8Very low198 Ų198144.2 Ų144.287%0.86878%0.782SS**  trans-101.773.5169.4-87.1-81000112.3A372A372-F374 PolarHBondContact O-N 3.48Å
375I37.7Very low33.8Very low118 Ų118142.9 Ų142.961%0.60578%0.779SS**  trans-92.8117.3166.8-58.5173.5000108.6K377I375-K377 VanDerWaalsContact C-N 3.34Å; I375-K377 HydrophobicContact CG2-CG 4.24Å; I375-K377 PolarHBondContact O-N 3.36Å
376P38Very low33.9Very low103 Ų103146.4 Ų146.467%0.66978%0.78SS**  trans-72.388.1172.229.9-33.4000110.1W378P376-W378 VanDerWaalsContact C-N 3.3Å; P376-W378 PolarHBondContact O-N 3.42Å
377K35.6Very low34Very low164 Ų164151.6 Ų151.671%0.71378%0.777SS**  trans-70.283175.2-85.2179.2176162.10111.3I375 R379I375-K377 VanDerWaalsContact C-N 3.34Å; I375-K377 HydrophobicContact CG2-CG 4.24Å; I375-K377 PolarHBondContact O-N 3.36Å; K377-R379 PolarHBondContact O-N 3.37Å
378W33.4Very low34Very low243 Ų243156.6 Ų156.692%0.9278%0.781SS**  trans-6480.5161.6-70.5102.2000110.4P376P376-W378 VanDerWaalsContact C-N 3.3Å; P376-W378 PolarHBondContact O-N 3.42Å
379R31.5Very low34Very low212 Ų212154 Ų15480%0.878%0.782SS**  trans-94.7109.8171.4-160.9-167.2-59.1-12512.2108.5K377 A381K377-R379 PolarHBondContact O-N 3.37Å; R379-A381 PolarHBondContact O-N 3.31Å
380L36.8Very low34.2Very low160 Ų160149.9 Ų149.984%0.83879%0.788SS**  trans-54.7132.1173.2-98.466.7000110.4
381A31Very low34.2Very low90 Ų90145.7 Ų145.774%0.74479%0.792SS**  trans-101.5106.8170.300000109.4R379R379-A381 PolarHBondContact O-N 3.31Å
382H34.1Very low34.3Very low182 Ų182145.9 Ų145.984%0.84379%0.792SS**  trans-142.7154.5156.5-93.7-70.7000109.5
383P37.4Very low34.6Very low103 Ų103151.3 Ų151.367%0.66981%0.806SS**  trans-108.7-171.5-14741.9-37.6000114.9
384T34.1Very low34.6Very low137 Ų137154.7 Ų154.784%0.8481%0.811SS**  trans67.493.3164.154.80000118
385S34.4Very low34.8Very low123 Ų123149 Ų14986%0.8681%0.809SS**  trans-137.5154.1131.764.40000109.6
386I33.1Very low34.8Very low145 Ų145151.3 Ų151.374%0.74482%0.82SS**  trans-106.5177.1-175.5-71.9171.6000108.9
387Y31Very low34.9Very low221 Ų221151.6 Ų151.687%0.86782%0.822SS**  trans82.8137.9-176.6-51.7-78.3000113.6
388K32.9Very low35.2Very low198 Ų198149.9 Ų149.986%0.86183%0.825SS**  cis-145.212111.1-164.8176.5-175.5178.60111.1
389A32.4Very low35.5Very low106 Ų106144.3 Ų144.388%0.87682%0.818SS**  trans-110.3143163.700000108.8
390G37.3Very low36Very low85 Ų85141.8 Ų141.888%0.87682%0.82SS**  trans-159.5132.9-178.600000112
391G35.3Very low36.5Very low86 Ų86139.8 Ų139.889%0.88782%0.817SS**  trans138.759.2-174.800000112.7
392L32.9Very low37Very low150 Ų150140.2 Ų140.279%0.78581%0.814SS**  trans-148103.1-178.1-166.5167.6000112.1
393Q39.3Very low37.6Very low183 Ų183139.7 Ų139.786%0.85581%0.812SS**  trans-150.5112.5152.4-88-176.26.800106.1
394R35.4Very low37.9Very low242 Ų242141 Ų14191%0.91381%0.813SS**  69.1109.488-76.8-171.1176.7-174.40113.8
395G37.6Very low38.4Very low79 Ų79141.4 Ų141.481%0.81481%0.81SS**  trans16694.3170.200000113.9
396I36.6Very low38.8Very low166 Ų166140.9 Ų140.985%0.85181%0.806SS**  trans-145.8144.8178.3-75.9-178.9000105.2
397P40.4Very low39.3Very low108 Ų108138.8 Ų138.870%0.70180%0.804SS**  cis-138.1-166.114.528.1-1.9000116.4
398V41.5Very low39.9Very low128 Ų128133.8 Ų133.878%0.77680%0.802SS**  trans71116.1153.5-130.10000121.6
399V41Very low40.5Very low127 Ų127129.4 Ų129.477%0.7780%0.796SS**  165.5112.2102.3169.10000110.8
400N41.4Very low41Very low158 Ų158136 Ų13685%0.84580%0.799SS**  trans32.2158.3154.2-77.212.3000126.3
401P48Very low41.5Very low119 Ų119137.6 Ų137.677%0.77379%0.793SS**  trans-121.8177.5-169.644.4-31000115.4
402S41.1Very low42Very low99 Ų99139.8 Ų139.869%0.69280%0.795SS**  trans-165.2126.5160560000113.2
403H47.2Very low42.7Very low170 Ų170137.1 Ų137.179%0.78780%0.795SS**  trans61.6151.2145.3-73.1-91.4000119.6
404D43.2Very low43Very low132 Ų132134.4 Ų134.471%0.70679%0.793SS**  cis-143.7172.510.3-104.9-37.9000114.1
405D44Very low43.4Very low145 Ų145129.7 Ų129.778%0.77579%0.791SS**  trans-53.2157.5179-55.9-51000115.8
406S43.8Very low43.4Very low111 Ų111135 Ų13578%0.77680%0.797SS**  164.4177.767.950.40000110.7
407S43.4Very low43.9Very low101 Ų101132.2 Ų132.271%0.70680%0.799SS**  -164.2152.4-50.7700000111.8
408S43.6Very low43.7Very low117 Ų117131.7 Ų131.782%0.81880%0.798SS**  trans69160.2167.393.60000118
409S44.4Very low43.9Very low105 Ų105132.4 Ų132.473%0.73480%0.803SS**  cis-148.9127.8-1.955.20000115.2
410R43.1Very low43.8Very low246 Ų246133.9 Ų133.993%0.92881%0.806SS**  trans50.4136.3135.8-133.5169.4-160.7-176.64.6124
411P49.2Very low44Very low118 Ų118129.9 Ų129.977%0.76680%0.802SS**  trans-107.4-177.9177.942.9-37.2000115.3
412S45.1Very low43.7Very low131 Ų131132.5 Ų132.592%0.91681%0.808SS**  trans-142.7165.2166.9-78.30000112.4
413A46.7Very low43.8Very low95 Ų95135.1 Ų135.179%0.78581%0.813SS**  trans-102.6164.7-156.600000116.5
414P46Very low44Very low126 Ų126135.5 Ų135.582%0.81883%0.826SS**  trans-95.9172.6-177.639.1-36.6000114.4
415T45.2Very low44Very low142 Ų142135.7 Ų135.787%0.87183%0.832SS**  trans-133.7131.9171.4-48.50000110.4
416M36.7Very low44Very low191 Ų191135.2 Ų135.294%0.94184%0.835SS**  trans-91.6148169.5-89.2-176.2160.900111.3
417A46.8Very low44Very low108 Ų108136.5 Ų136.589%0.89384%0.839SS**  trans-129.8140.7164.500000109.5
418S35.5Very low44.1Very low96 Ų96138.6 Ų138.667%0.67185%0.846SS**  trans-101150.7-176.9-178.50000111.9
419T46.1Very low44.1Very low144 Ų144139.9 Ų139.988%0.88385%0.848SS**  trans-163.9139.5137.91.10000112.4
420D39Very low44.1Very low157 Ų157142.3 Ų142.384%0.8486%0.856SS**  trans-81.5160.7-179.7-58.8-86.6000113.9
421G45.2Very low44.2Very low74 Ų74134.9 Ų134.976%0.76385%0.851SS**  trans-146.312.8-161.700000121.3
422I42.5Very low43.8Very low174 Ų174136.2 Ų136.289%0.89286%0.857SS**  trans63.7144.9160.5-59.3178.5000119.8
423I42.5Very low43.7Very low155 Ų155136.6 Ų136.680%0.79585%0.852SS**  trans-83.9142-172.9-61154000114.1
424V52.1Low43.4Very low177 Ų177140.4 Ų140.4100%1.07386%0.858SS**  trans-147.30153.6-170.10000115.6K251K251-V424 PolarHBondContact NZ-O 3.34Å

Retrieved 424 of 424 residues in 363.2 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).