A0A087XIP4_POEFO Loading...

Spartin

Lipophagy receptor that plays an important role in lipid droplet (LD) turnover in motor neurons. Localizes to LDs and interacts with components of the autophagy machinery, such as MAP1LC3A/C proteins to deliver LDs to autophagosomes for degradation via lipophagy. Lipid transfer protein required for lipid droplet degradation, including by lipophagy. Can bind and transfer all lipid species found in lipid droplets, from phospholipids to triglycerides and sterol esters but the direction of lipid transfer by spartin and its cargos are unknown. May be implicated in endosomal trafficking, or microtubule dynamics, or both. Participates in cytokinesis.

AlphaFold DB , UniProt , Accession A0A087XIP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 511 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.5Low83.1Confident188 Ų18899.7 Ų99.793%0.92651%0.512SS*.  0-57.20-165.4176.2-77.200110.8K3 A4 K5M1-K3 PolarHBondContact O-N 3.42Å; M1-A4 PolarHBondContact O-N 2.92Å; M1-A4 VanDerWaalsContact O-N 3.09Å; M1-K5 PolarHBondContact O-N 3Å
2E74.5Confident84Confident126 Ų12695.8 Ų95.859%0.58951%0.506SS*.Hα-helixtrans-47.5-51.8-179-65.2-50.997.500115A4 K5 Q6E2-A4 VanDerWaalsContact C-N 3.29Å; E2-A4 PolarHBondContact O-N 2.94Å; E2-K5 WeakPolarHBondContact O-CA 3.49Å; E2-K5 WeakPolarHBondContact O-CB 3.47Å; E2-K5 PolarHBondContact O-N 3.32Å; E2-K5 WeakPolarHBondContact OE1-CE 3.43Å; E2-K5 IonicContact OE1-NZ 2.65Å; E2-K5 PolarHBondContact OE1-NZ 2.87Å; E2-K5 IonicContact OE2-NZ 3.47Å; E2-Q6 PolarHBondContact O-N 3.42Å
3K76.5Confident84.9Confident156 Ų15690.4 Ų90.468%0.67847%0.474SS*.Hα-helixtrans-52.1-45.2179.2-173.4176.8175.1176.40112.9M1 K5 Q6 D7M1-K3 PolarHBondContact O-N 3.42Å; K3-K5 VanDerWaalsContact C-N 3.26Å; K3-K5 PolarHBondContact O-N 3Å; K3-Q6 WeakPolarHBondContact O-CA 3.47Å; K3-Q6 WeakPolarHBondContact O-CB 3.32Å; K3-Q6 PolarHBondContact O-N 2.72Å; K3-D7 WeakPolarHBondContact CE-OD1 3.41Å; K3-D7 PolarHBondContact O-N 2.67Å
4A80.3Confident85.7Confident66 Ų6685.8 Ų85.855%0.54545%0.45SS..Hα-helixtrans-67.4-22.3179.100000114M1 E2 A8M1-A4 PolarHBondContact O-N 2.92Å; M1-A4 VanDerWaalsContact O-N 3.09Å; E2-A4 VanDerWaalsContact C-N 3.29Å; E2-A4 PolarHBondContact O-N 2.94Å; A4-A8 WeakPolarHBondContact O-CB 3.41Å; A4-A8 PolarHBondContact O-N 2.98Å
5K84.6Confident86.4Confident114 Ų11487.6 Ų87.650%0.49646%0.455SS..Hα-helixtrans-75.2-41.8169.4-60.2175.6-178.2164.80110.9M1 E2 K3 A8 F9M1-K5 PolarHBondContact O-N 3Å; E2-K5 WeakPolarHBondContact O-CA 3.49Å; E2-K5 WeakPolarHBondContact O-CB 3.47Å; E2-K5 PolarHBondContact O-N 3.32Å; E2-K5 WeakPolarHBondContact OE1-CE 3.43Å; E2-K5 IonicContact OE1-NZ 2.65Å; E2-K5 PolarHBondContact OE1-NZ 2.87Å; E2-K5 IonicContact OE2-NZ 3.47Å; K3-K5 VanDerWaalsContact C-N 3.26Å; K3-K5 PolarHBondContact O-N 3Å; K5-A8 PolarHBondContact O-N 3.1Å; K5-F9 WeakPolarHBondContact O-CB 3.42Å; K5-F9 PolarHBondContact O-N 3.15Å
6Q84.2Confident87Confident84 Ų8484.8 Ų84.839%0.39344%0.443SS..Hα-helixtrans-62.4-51.7176.3-172.662.140.100110.4E2 K3 A8 F9 D10E2-Q6 PolarHBondContact O-N 3.42Å; K3-Q6 WeakPolarHBondContact O-CA 3.47Å; K3-Q6 WeakPolarHBondContact O-CB 3.32Å; K3-Q6 PolarHBondContact O-N 2.72Å; Q6-A8 PolarHBondContact O-N 3.42Å; Q6-F9 PolarHBondContact O-N 3.4Å; Q6-D10 WeakPolarHBondContact CG-OD2 3.33Å; Q6-D10 VanDerWaalsContact NE2-CG 3.35Å; Q6-D10 PolarHBondContact NE2-OD1 3.02Å; Q6-D10 PolarHBondContact NE2-OD2 3.13Å; Q6-D10 PolarHBondContact O-N 2.97Å
7D85.1Confident87.7Confident71 Ų7179.8 Ų79.838%0.3842%0.417SS..Hα-helixtrans-53-40.5175.8-58.2-30.8000111.1K3 N11K3-D7 WeakPolarHBondContact CE-OD1 3.41Å; K3-D7 PolarHBondContact O-N 2.67Å; D7-N11 WeakPolarHBondContact O-CB 3.46Å; D7-N11 PolarHBondContact O-N 3.37Å; D7-N11 PolarHBondContact O-ND2 3.39Å
8A89.3Confident88.2Confident61 Ų6180.2 Ų80.250%0.50441%0.414SS..Hα-helixtrans-71.7-38.1177.200000113.7A4 K5 Q6 A12A4-A8 WeakPolarHBondContact O-CB 3.41Å; A4-A8 PolarHBondContact O-N 2.98Å; K5-A8 PolarHBondContact O-N 3.1Å; Q6-A8 PolarHBondContact O-N 3.42Å; A8-A12 WeakPolarHBondContact O-CB 3.37Å; A8-A12 PolarHBondContact O-N 3.05Å
9F90.4Very high88.6Confident122 Ų12278.4 Ų78.454%0.53541%0.406SS..Hα-helixtrans-67.5-40.8175.9179.6-108000111.8K5 Q6 A12 R13K5-F9 WeakPolarHBondContact O-CB 3.42Å; K5-F9 PolarHBondContact O-N 3.15Å; Q6-F9 PolarHBondContact O-N 3.4Å; F9-A12 WeakPolarHBondContact O-CB 3.37Å; F9-A12 PolarHBondContact O-N 2.94Å; F9-R13 HydrophobicContact CE1-CG 4.38Å; F9-R13 WeakPolarHBondContact O-CG 3.45Å; F9-R13 PolarHBondContact O-N 3.31Å
10D90.3Very high89Confident14 Ų1474.5 Ų74.58%0.07539%0.386CS..Hα-helixtrans-71-38.1177.4-68.9-33000111.9Q6 A12 R13 L14 W72Q6-D10 WeakPolarHBondContact CG-OD2 3.33Å; Q6-D10 VanDerWaalsContact NE2-CG 3.35Å; Q6-D10 PolarHBondContact NE2-OD1 3.02Å; Q6-D10 PolarHBondContact NE2-OD2 3.13Å; Q6-D10 PolarHBondContact O-N 2.97Å; D10-A12 VanDerWaalsContact C-N 3.31Å; D10-A12 PolarHBondContact O-N 2.65Å; D10-R13 PolarHBondContact O-N 3.28Å; D10-R13 WeakPolarHBondContact OD1-CD 3.27Å; D10-R13 IonicContact OD1-CZ 2.93Å; D10-R13 IonicContact OD1-NE 2.67Å; D10-R13 IonicContact OD1-NH1 3.18Å; D10-R13 PolarHBondContact OD1-NH1 3.41Å; D10-L14 WeakPolarHBondContact O-CB 3.41Å; D10-L14 VanDerWaalsContact O-CG 3.27Å; D10-L14 WeakPolarHBondContact O-CG 3.45Å; D10-L14 PolarHBondContact O-N 3.02Å; D10-W72 HydrophobicContact CB-CZ2 3.84Å
11N92.3Very high89.4Confident95 Ų9573.5 Ų73.551%0.50838%0.377SS..Hα-helixtrans-59.1-40.9166.7-87.2-83.4000112.1D7 L14 Q15D7-N11 WeakPolarHBondContact O-CB 3.46Å; D7-N11 PolarHBondContact O-N 3.37Å; D7-N11 PolarHBondContact O-ND2 3.39Å; N11-L14 PolarHBondContact O-N 3.02Å; N11-Q15 WeakPolarHBondContact O-CB 3.31Å; N11-Q15 VanDerWaalsContact O-CG 3.26Å; N11-Q15 WeakPolarHBondContact O-CG 3.22Å; N11-Q15 PolarHBondContact O-N 3.01Å
12A94.7Very high90.8Very high53 Ų5369.5 Ų69.544%0.43836%0.356SS..Hα-helixtrans-64.5-39.2176.200000112.5A8 F9 D10 Q15 V16A8-A12 WeakPolarHBondContact O-CB 3.37Å; A8-A12 PolarHBondContact O-N 3.05Å; F9-A12 WeakPolarHBondContact O-CB 3.37Å; F9-A12 PolarHBondContact O-N 2.94Å; D10-A12 VanDerWaalsContact C-N 3.31Å; D10-A12 PolarHBondContact O-N 2.65Å; A12-Q15 PolarHBondContact O-N 3.43Å; A12-V16 WeakPolarHBondContact O-CG2 3.36Å; A12-V16 PolarHBondContact O-N 2.95Å
13R95.3Very high91.8Very high25 Ų2567.1 Ų67.19%0.09434%0.342CS..Hα-helixtrans-61.1-50.6173.3-71.9162.466.2-177.67.4111.4F9 D10 Q15 V16 I17 V60 P61 E66 C67 W72F9-R13 HydrophobicContact CE1-CG 4.38Å; F9-R13 WeakPolarHBondContact O-CG 3.45Å; F9-R13 PolarHBondContact O-N 3.31Å; D10-R13 PolarHBondContact O-N 3.28Å; D10-R13 WeakPolarHBondContact OD1-CD 3.27Å; D10-R13 IonicContact OD1-CZ 2.93Å; D10-R13 IonicContact OD1-NE 2.67Å; D10-R13 IonicContact OD1-NH1 3.18Å; D10-R13 PolarHBondContact OD1-NH1 3.41Å; R13-Q15 VanDerWaalsContact C-N 3.3Å; R13-Q15 PolarHBondContact O-N 2.84Å; R13-V16 PolarHBondContact O-N 3.38Å; R13-V16 VanDerWaalsContact O-N 3.14Å; R13-I17 WeakPolarHBondContact O-CG1 3.49Å; R13-I17 PolarHBondContact O-N 3.26Å; R13-I17 VanDerWaalsContact O-N 3.08Å; R13-V60 HydrophobicContact CB-CG1 3.74Å; R13-V60 HydrophobicContact CG-CG1 4Å; R13-P61 PolarHBondContact NE-O 2.98Å; R13-P61 PolarHBondContact NH2-O 3.24Å; R13-E66 IonicContact CZ-OE1 3.86Å; R13-E66 IonicContact NH1-OE1 3.15Å; R13-E66 PolarHBondContact NH1-OE1 3.43Å; R13-E66 IonicContact NH2-OE1 3.49Å; R13-E66 PolarHBondContact NH2-OE1 3.21Å; R13-C67 PolarHBondContact NH2-SG 3.12Å; R13-W72 HydrophobicContact CB-CH2 3.67Å; R13-W72 HydrophobicContact CB-CZ2 4.36Å
14L95.6Very high92.8Very high26 Ų2659.7 Ų59.714%0.13631%0.31CS..Hα-helixtrans-56.8-42.9176.9-70.7170.3000111.9D10 N11 I17 K18 S71 W72 A75D10-L14 WeakPolarHBondContact O-CB 3.41Å; D10-L14 VanDerWaalsContact O-CG 3.27Å; D10-L14 WeakPolarHBondContact O-CG 3.45Å; D10-L14 PolarHBondContact O-N 3.02Å; N11-L14 PolarHBondContact O-N 3.02Å; L14-I17 PolarHBondContact O-N 3.48Å; L14-K18 PolarHBondContact O-N 3.2Å; L14-S71 VanDerWaalsContact CD2-O 3.31Å; L14-S71 WeakPolarHBondContact CD2-O 3.45Å; L14-W72 HydrophobicContact CD2-CD2 3.61Å; L14-W72 HydrophobicContact CD2-CE3 3.57Å; L14-W72 HydrophobicContact CD2-CG 4.12Å; L14-W72 HydrophobicContact CD2-CH2 4.3Å; L14-W72 HydrophobicContact CD2-CZ2 4.36Å; L14-W72 HydrophobicContact CD2-CZ3 3.92Å; L14-W72 HydrophobicContact CG-CD2 4.22Å; L14-W72 HydrophobicContact CG-CE3 4.38Å; L14-W72 HydrophobicContact CG-CH2 4.3Å; L14-W72 HydrophobicContact CG-CZ2 4.15Å; L14-W72 HydrophobicContact CG-CZ3 4.41Å; L14-A75 HydrophobicContact CD2-CB 3.53Å
15Q96.1Very high93.5Very high113 Ų11358.1 Ų58.153%0.52829%0.291SS..Hα-helixtrans-63.3-43.4175.3-70.4-66.2-15.300112.1N11 A12 R13 I17 K18 D19N11-Q15 WeakPolarHBondContact O-CB 3.31Å; N11-Q15 VanDerWaalsContact O-CG 3.26Å; N11-Q15 WeakPolarHBondContact O-CG 3.22Å; N11-Q15 PolarHBondContact O-N 3.01Å; A12-Q15 PolarHBondContact O-N 3.43Å; R13-Q15 VanDerWaalsContact C-N 3.3Å; R13-Q15 PolarHBondContact O-N 2.84Å; Q15-I17 VanDerWaalsContact C-N 3.29Å; Q15-I17 PolarHBondContact O-N 3Å; Q15-K18 PolarHBondContact O-N 3.49Å; Q15-D19 WeakPolarHBondContact O-CB 3.49Å; Q15-D19 PolarHBondContact O-N 2.83Å
16V97.3Very high94.1Very high43 Ų4357.2 Ų57.226%0.26129%0.288SS..Hα-helixtrans-63.9-33.1177.4175.50000112.4A12 R13 G20 R56 V60A12-V16 WeakPolarHBondContact O-CG2 3.36Å; A12-V16 PolarHBondContact O-N 2.95Å; R13-V16 PolarHBondContact O-N 3.38Å; R13-V16 VanDerWaalsContact O-N 3.14Å; V16-G20 PolarHBondContact O-N 3.39Å; V16-R56 HydrophobicContact CG1-CG 4.25Å; V16-V60 HydrophobicContact CB-CG2 4.08Å; V16-V60 HydrophobicContact CG1-CG2 3.62Å
17I97.4Very high94.6Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-65.5-51173.9-65.5170.3000110.3R13 L14 Q15 G20 Y21 V60 W72 A75 M78 Q79 M82R13-I17 WeakPolarHBondContact O-CG1 3.49Å; R13-I17 PolarHBondContact O-N 3.26Å; R13-I17 VanDerWaalsContact O-N 3.08Å; L14-I17 PolarHBondContact O-N 3.48Å; Q15-I17 VanDerWaalsContact C-N 3.29Å; Q15-I17 PolarHBondContact O-N 3Å; I17-G20 PolarHBondContact O-N 2.87Å; I17-Y21 PolarHBondContact O-N 2.97Å; I17-V60 HydrophobicContact CD1-CB 3.94Å; I17-V60 HydrophobicContact CD1-CG1 3.86Å; I17-V60 HydrophobicContact CG1-CB 3.63Å; I17-V60 HydrophobicContact CG1-CG1 3.9Å; I17-V60 HydrophobicContact CG1-CG2 3.99Å; I17-W72 HydrophobicContact CD1-CZ3 4.1Å; I17-A75 HydrophobicContact CD1-CB 3.83Å; I17-A75 HydrophobicContact CG2-CB 4.09Å; I17-M78 HydrophobicContact CG2-CB 4.24Å; I17-M78 HydrophobicContact CG2-CE 4.32Å; I17-Q79 HydrophobicContact CG2-CG 3.77Å; I17-M82 HydrophobicContact CG2-CE 3.91Å
18K96.7Very high95.1Very high86 Ų8650.9 Ų50.937%0.37426%0.258SS..Hα-helixtrans-60.8-45.4178.1-176.7178.8173.1178.80112.4L14 Q15 G20 Y21 E22 M78L14-K18 PolarHBondContact O-N 3.2Å; Q15-K18 PolarHBondContact O-N 3.49Å; K18-G20 VanDerWaalsContact C-N 3.25Å; K18-G20 PolarHBondContact O-N 2.81Å; K18-Y21 WeakPolarHBondContact O-CB 3.32Å; K18-Y21 PolarHBondContact O-N 2.9Å; K18-Y21 VanDerWaalsContact O-N 3.09Å; K18-E22 WeakPolarHBondContact CE-OE1 3.35Å; K18-E22 WeakPolarHBondContact CE-OE2 3.46Å; K18-E22 HydrophobicContact CG-CG 4.28Å; K18-E22 IonicContact NZ-OE1 3.83Å; K18-E22 PolarHBondContact NZ-OE1 3.26Å; K18-E22 PolarHBondContact O-N 3.36Å; K18-M78 HydrophobicContact CB-CE 4.18Å; K18-M78 HydrophobicContact CB-SD 4.39Å; K18-M78 HydrophobicContact CG-SD 4.45Å
19D97.1Very high95.3Very high47 Ų4752.4 Ų52.425%0.25126%0.257SS..Hα-helixtrans-64.7-25.6177.2-178.562000112.8Q15 R23 R56Q15-D19 WeakPolarHBondContact O-CB 3.49Å; Q15-D19 PolarHBondContact O-N 2.83Å; D19-R23 PolarHBondContact O-NH2 2.92Å; D19-R23 IonicContact OD1-CZ 2.65Å; D19-R23 IonicContact OD1-NH1 2.79Å; D19-R23 PolarHBondContact OD1-NH1 3.48Å; D19-R23 IonicContact OD1-NH2 3.32Å; D19-R23 PolarHBondContact OD1-NH2 3.47Å; D19-R23 VanDerWaalsContact OD1-NH2 3.11Å; D19-R23 IonicContact OD2-CZ 2.65Å; D19-R23 IonicContact OD2-NH1 2.88Å; D19-R23 PolarHBondContact OD2-NH1 3.34Å; D19-R23 IonicContact OD2-NH2 2.7Å; D19-R23 PolarHBondContact OD2-NH2 3.24Å; D19-R56 IonicContact OD2-CZ 2.75Å; D19-R56 IonicContact OD2-NH1 3.56Å; D19-R56 PolarHBondContact OD2-NH1 2.7Å; D19-R56 IonicContact OD2-NH2 3.15Å
20G95.8Very high95.5Very high0 Ų051.2 Ų51.20%025%0.252CS..Hα-helixtrans-76.4-42.516800000112.9V16 I17 K18 G24 H53V16-G20 PolarHBondContact O-N 3.39Å; I17-G20 PolarHBondContact O-N 2.87Å; K18-G20 VanDerWaalsContact C-N 3.25Å; K18-G20 PolarHBondContact O-N 2.81Å; G20-G24 WeakPolarHBondContact O-CA 3.27Å; G20-G24 PolarHBondContact O-N 3.33Å; G20-H53 WeakPolarHBondContact CA-O 2.99Å; G20-H53 CarbonylContact O-C 3.56Å
21Y97.2Very high95.7Very high54 Ų5450.5 Ų50.521%0.21225%0.248CC..Hα-helixtrans-64-58.2178.3-179.1-88000111.7I17 K18 R23 G24 F25 M78 K81 M82I17-Y21 PolarHBondContact O-N 2.97Å; K18-Y21 WeakPolarHBondContact O-CB 3.32Å; K18-Y21 PolarHBondContact O-N 2.9Å; K18-Y21 VanDerWaalsContact O-N 3.09Å; Y21-R23 PolarHBondContact O-N 3.25Å; Y21-G24 PolarHBondContact O-N 3.07Å; Y21-G24 VanDerWaalsContact O-N 3.14Å; Y21-F25 HydrophobicContact CD1-CD2 4.16Å; Y21-F25 AromaticContact CD2-CD2 3.82Å; Y21-F25 HydrophobicContact CD2-CD2 3.82Å; Y21-F25 AromaticContact CD2-CE2 3.55Å; Y21-F25 HydrophobicContact CD2-CE2 3.55Å; Y21-F25 HydrophobicContact CE1-CD2 4.06Å; Y21-F25 HydrophobicContact CE1-CE2 4.49Å; Y21-F25 AromaticContact CE2-CD2 3.7Å; Y21-F25 HydrophobicContact CE2-CD2 3.7Å; Y21-F25 AromaticContact CE2-CE2 3.31Å; Y21-F25 HydrophobicContact CE2-CE2 3.31Å; Y21-F25 HydrophobicContact CE2-CZ 4.25Å; Y21-F25 HydrophobicContact CG-CD2 4.04Å; Y21-F25 HydrophobicContact CG-CE2 4.23Å; Y21-F25 AromaticContact CZ-CD2 3.82Å; Y21-F25 AromaticContact CZ-CE2 3.83Å; Y21-F25 WeakPolarHBondContact O-CD2 3.2Å; Y21-F25 PolarHBondContact O-N 3.44Å; Y21-M78 HydrophobicContact CD1-CG 4.38Å; Y21-M78 HydrophobicContact CD1-SD 4.08Å; Y21-M78 HydrophobicContact CD2-CB 3.74Å; Y21-M78 HydrophobicContact CD2-CG 3.73Å; Y21-M78 HydrophobicContact CD2-SD 4.32Å; Y21-M78 HydrophobicContact CE2-CB 4.33Å; Y21-M78 HydrophobicContact CE2-CG 4.07Å; Y21-M78 HydrophobicContact CG-CB 4.19Å; Y21-M78 HydrophobicContact CG-CG 3.92Å; Y21-M78 HydrophobicContact CG-SD 3.87Å; Y21-K81 HydrophobicContact CE2-CB 4.43Å; Y21-K81 HydrophobicContact CE2-CD 4.06Å; Y21-K81 HydrophobicContact CE2-CG 4.41Å; Y21-K81 PolarHBondContact OH-NZ 3.19Å; Y21-M82 VanDerWaalsContact CA-SD 3.59Å; Y21-M82 HydrophobicContact CD2-CG 3.89Å; Y21-M82 PolarHBondContact N-SD 3.17Å
22E96.1Very high95.6Very high104 Ų10449.7 Ų49.749%0.48624%0.243SC..Hα-helixtrans-59.9-53.9-171.1-70178.6151.600112.1K18 G24 F25 E26K18-E22 WeakPolarHBondContact CE-OE1 3.35Å; K18-E22 WeakPolarHBondContact CE-OE2 3.46Å; K18-E22 HydrophobicContact CG-CG 4.28Å; K18-E22 IonicContact NZ-OE1 3.83Å; K18-E22 PolarHBondContact NZ-OE1 3.26Å; K18-E22 PolarHBondContact O-N 3.36Å; E22-G24 VanDerWaalsContact C-N 3.31Å; E22-G24 PolarHBondContact O-N 3.36Å; E22-F25 PolarHBondContact O-N 3.14Å; E22-E26 WeakPolarHBondContact O-CB 3.41Å; E22-E26 PolarHBondContact O-N 3.49Å
23R96Very high95.6Very high76 Ų7650.6 Ų50.629%0.28725%0.247SC..Hα-helixtrans-70.6-25176.5-67.3-165.1-51.1-94.8-34.9113.7D19 Y21 C27 H53D19-R23 PolarHBondContact O-NH2 2.92Å; D19-R23 IonicContact OD1-CZ 2.65Å; D19-R23 IonicContact OD1-NH1 2.79Å; D19-R23 PolarHBondContact OD1-NH1 3.48Å; D19-R23 IonicContact OD1-NH2 3.32Å; D19-R23 PolarHBondContact OD1-NH2 3.47Å; D19-R23 VanDerWaalsContact OD1-NH2 3.11Å; D19-R23 IonicContact OD2-CZ 2.65Å; D19-R23 IonicContact OD2-NH1 2.88Å; D19-R23 PolarHBondContact OD2-NH1 3.34Å; D19-R23 IonicContact OD2-NH2 2.7Å; D19-R23 PolarHBondContact OD2-NH2 3.24Å; Y21-R23 PolarHBondContact O-N 3.25Å; R23-C27 WeakPolarHBondContact O-CB 3.47Å; R23-C27 PolarHBondContact O-N 3.46Å; R23-C27 PolarHBondContact O-SG 3.02Å; R23-H53 PolarHBondContact NE-CE1 3.44Å
24G96.8Very high95.4Very high0 Ų049.9 Ų49.90%025%0.246CC..Hα-helixtrans-61.9-54173.300000110.8G20 Y21 E22 C27 I28G20-G24 WeakPolarHBondContact O-CA 3.27Å; G20-G24 PolarHBondContact O-N 3.33Å; Y21-G24 PolarHBondContact O-N 3.07Å; Y21-G24 VanDerWaalsContact O-N 3.14Å; E22-G24 VanDerWaalsContact C-N 3.31Å; E22-G24 PolarHBondContact O-N 3.36Å; G24-C27 PolarHBondContact O-N 2.97Å; G24-I28 WeakPolarHBondContact O-CD1 3.45Å; G24-I28 VanDerWaalsContact O-CG1 3.25Å; G24-I28 WeakPolarHBondContact O-CG1 3.35Å; G24-I28 PolarHBondContact O-N 3.47Å
25F96.3Very high95.1Very high33 Ų3349.7 Ų49.715%0.14525%0.245CC..Hα-helixtrans-68.2-36.8176.6-78.5-76.4000113Y21 E22 C27 I28 N29 L54 K81 M82 T85Y21-F25 HydrophobicContact CD1-CD2 4.16Å; Y21-F25 AromaticContact CD2-CD2 3.82Å; Y21-F25 HydrophobicContact CD2-CD2 3.82Å; Y21-F25 AromaticContact CD2-CE2 3.55Å; Y21-F25 HydrophobicContact CD2-CE2 3.55Å; Y21-F25 HydrophobicContact CE1-CD2 4.06Å; Y21-F25 HydrophobicContact CE1-CE2 4.49Å; Y21-F25 AromaticContact CE2-CD2 3.7Å; Y21-F25 HydrophobicContact CE2-CD2 3.7Å; Y21-F25 AromaticContact CE2-CE2 3.31Å; Y21-F25 HydrophobicContact CE2-CE2 3.31Å; Y21-F25 HydrophobicContact CE2-CZ 4.25Å; Y21-F25 HydrophobicContact CG-CD2 4.04Å; Y21-F25 HydrophobicContact CG-CE2 4.23Å; Y21-F25 AromaticContact CZ-CD2 3.82Å; Y21-F25 AromaticContact CZ-CE2 3.83Å; Y21-F25 WeakPolarHBondContact O-CD2 3.2Å; Y21-F25 PolarHBondContact O-N 3.44Å; E22-F25 PolarHBondContact O-N 3.14Å; F25-C27 VanDerWaalsContact C-N 3.34Å; F25-C27 PolarHBondContact O-N 3.11Å; F25-I28 PolarHBondContact O-N 3.21Å; F25-N29 WeakPolarHBondContact O-CB 3.46Å; F25-N29 PolarHBondContact O-N 3.46Å; F25-N29 PolarHBondContact O-OD1 2.83Å; F25-L54 HydrophobicContact CD2-CD2 4.49Å; F25-L54 HydrophobicContact CE2-CD2 4.2Å; F25-K81 HydrophobicContact CE2-CG 4.47Å; F25-K81 HydrophobicContact CZ-CD 4.34Å; F25-K81 HydrophobicContact CZ-CG 3.94Å; F25-M82 HydrophobicContact CE2-CG 4.41Å; F25-T85 HydrophobicContact CE1-CG2 3.91Å; F25-T85 HydrophobicContact CZ-CG2 4.13Å; F25-T85 VanDerWaalsContact CZ-OG1 3.25Å; F25-T85 WeakPolarHBondContact CZ-OG1 3.37Å
26E96.1Very high94.8Very high95 Ų9551.7 Ų51.744%0.44425%0.254SS..Hα-helixtrans-58-45.6173.8-166.6-157.7158.200111.9E22 K30E22-E26 WeakPolarHBondContact O-CB 3.41Å; E22-E26 PolarHBondContact O-N 3.49Å; E26-K30 WeakPolarHBondContact O-CG 3.34Å; E26-K30 PolarHBondContact O-N 3.38Å; E26-K30 IonicContact OE1-NZ 2.78Å; E26-K30 PolarHBondContact OE1-NZ 3.35Å
27C95.4Very high94.6Very high14 Ų1453 Ų5310%0.09527%0.27CS..Hα-helixtrans-66.2-39.5176-69.80000112.1R23 G24 F25 K30 G31 F46 R49R23-C27 WeakPolarHBondContact O-CB 3.47Å; R23-C27 PolarHBondContact O-N 3.46Å; R23-C27 PolarHBondContact O-SG 3.02Å; G24-C27 PolarHBondContact O-N 2.97Å; F25-C27 VanDerWaalsContact C-N 3.34Å; F25-C27 PolarHBondContact O-N 3.11Å; C27-K30 PolarHBondContact O-N 3.46Å; C27-G31 PolarHBondContact O-N 3.47Å; C27-F46 WeakPolarHBondContact O-CB 3.4Å; C27-R49 HydrophobicContact CB-CB 4.41Å
28I95.4Very high94.2Very high8 Ų855.5 Ų55.54%0.04130%0.295CS..Hα-helixtrans-71-38.4-177.5-70.2164000111.6G24 F25 G31 L32 Y47 L54 T85 I89G24-I28 WeakPolarHBondContact O-CD1 3.45Å; G24-I28 VanDerWaalsContact O-CG1 3.25Å; G24-I28 WeakPolarHBondContact O-CG1 3.35Å; G24-I28 PolarHBondContact O-N 3.47Å; F25-I28 PolarHBondContact O-N 3.21Å; I28-G31 CarbonylContact O-C 3.54Å; I28-G31 WeakPolarHBondContact O-CA 3.4Å; I28-G31 PolarHBondContact O-N 2.7Å; I28-G31 VanDerWaalsContact O-N 3.12Å; I28-L32 HydrophobicContact CG2-CD1 4.27Å; I28-L32 WeakPolarHBondContact O-CG 3.25Å; I28-L32 PolarHBondContact O-N 3.07Å; I28-Y47 HydrophobicContact CG2-CE1 4.4Å; I28-L54 HydrophobicContact CD1-CD1 3.48Å; I28-L54 VanDerWaalsContact CD1-CD1 3.48Å; I28-L54 HydrophobicContact CD1-CD2 4.48Å; I28-L54 HydrophobicContact CD1-CG 4.12Å; I28-T85 HydrophobicContact CD1-CG2 3.72Å; I28-I89 HydrophobicContact CD1-CD1 3.87Å; I28-I89 HydrophobicContact CD1-CG2 4.23Å; I28-I89 HydrophobicContact CG1-CD1 4.3Å; I28-I89 HydrophobicContact CG1-CG2 4.37Å; I28-I89 HydrophobicContact CG2-CG2 4.15Å
29N93.1Very high94Very high93 Ų9355.9 Ų55.950%0.49730%0.299SS..Hα-helixtrans-63.6-42.2174.3-67.4-0.8000111.2F25 G31 L32 S33F25-N29 WeakPolarHBondContact O-CB 3.46Å; F25-N29 PolarHBondContact O-N 3.46Å; F25-N29 PolarHBondContact O-OD1 2.83Å; N29-G31 VanDerWaalsContact C-N 3.28Å; N29-G31 PolarHBondContact O-N 3.24Å; N29-L32 PolarHBondContact O-N 3.3Å; N29-S33 PolarHBondContact O-N 2.69Å; N29-S33 PolarHBondContact O-OG 2.84Å
30K94.4Very high93.7Very high96 Ų9657.6 Ų57.642%0.41730%0.304SS..Hα-helixtrans-63.3-35.2171.9-71.3170.7177176.90112.3E26 C27 A34 F46E26-K30 WeakPolarHBondContact O-CG 3.34Å; E26-K30 PolarHBondContact O-N 3.38Å; E26-K30 IonicContact OE1-NZ 2.78Å; E26-K30 PolarHBondContact OE1-NZ 3.35Å; C27-K30 PolarHBondContact O-N 3.46Å; K30-A34 WeakPolarHBondContact O-CB 3.36Å; K30-A34 PolarHBondContact O-N 3.18Å; K30-A34 VanDerWaalsContact O-N 3.13Å; K30-F46 HydrophobicContact CB-CD1 3.64Å; K30-F46 HydrophobicContact CB-CD2 4.15Å; K30-F46 HydrophobicContact CB-CE1 3.74Å; K30-F46 HydrophobicContact CB-CE2 4.24Å; K30-F46 HydrophobicContact CB-CG 3.88Å; K30-F46 HydrophobicContact CB-CZ 4.05Å; K30-F46 HydrophobicContact CD-CD1 4.32Å; K30-F46 HydrophobicContact CD-CE1 3.78Å; K30-F46 HydrophobicContact CD-CZ 4.31Å; K30-F46 HydrophobicContact CG-CE1 4.34Å
31G94.4Very high93.5Very high0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-60.4-51.6172.300000112.1C27 I28 N29 A34 D35 A43 F46C27-G31 PolarHBondContact O-N 3.47Å; I28-G31 CarbonylContact O-C 3.54Å; I28-G31 WeakPolarHBondContact O-CA 3.4Å; I28-G31 PolarHBondContact O-N 2.7Å; I28-G31 VanDerWaalsContact O-N 3.12Å; N29-G31 VanDerWaalsContact C-N 3.28Å; N29-G31 PolarHBondContact O-N 3.24Å; G31-A34 PolarHBondContact O-N 3.46Å; G31-D35 WeakPolarHBondContact O-CB 3.44Å; G31-D35 PolarHBondContact O-N 3.21Å; G31-A43 WeakPolarHBondContact O-CB 2.94Å; G31-F46 VanDerWaalsContact CA-CB 3.49Å
32L91.7Very high93.3Very high77 Ų7763.5 Ų63.540%0.40334%0.343SS..Hα-helixtrans-57.2-51.4177.8-73.7162000111.9I28 N29 A34 D35 E36 Y47I28-L32 HydrophobicContact CG2-CD1 4.27Å; I28-L32 WeakPolarHBondContact O-CG 3.25Å; I28-L32 PolarHBondContact O-N 3.07Å; N29-L32 PolarHBondContact O-N 3.3Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.37Å; L32-D35 WeakPolarHBondContact O-CA 3.37Å; L32-D35 VanDerWaalsContact O-CB 3.27Å; L32-D35 WeakPolarHBondContact O-CB 3.26Å; L32-D35 PolarHBondContact O-N 3.08Å; L32-E36 WeakPolarHBondContact O-CG 3.18Å; L32-E36 PolarHBondContact O-N 2.71Å; L32-Y47 WeakPolarHBondContact CD2-OH 3.31Å; L32-Y47 HydrophobicContact CG-CE1 4.29Å
33S92.8Very high93.1Very high73 Ų7358.6 Ų58.651%0.5132%0.32SS..Hα-helixtrans-64.2-32.9-179.8-57.20000113.5N29 A37N29-S33 PolarHBondContact O-N 2.69Å; N29-S33 PolarHBondContact O-OG 2.84Å; S33-A37 WeakPolarHBondContact O-CB 3.42Å; S33-A37 PolarHBondContact O-N 2.83Å
34A92.1Very high93Very high10 Ų1056.4 Ų56.48%0.08331%0.314CS..Hα-helixtrans-70.3-35.517200000112K30 G31 L32 A37 G38 E39 Q42 A43K30-A34 WeakPolarHBondContact O-CB 3.36Å; K30-A34 PolarHBondContact O-N 3.18Å; K30-A34 VanDerWaalsContact O-N 3.13Å; G31-A34 PolarHBondContact O-N 3.46Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.37Å; A34-A37 PolarHBondContact O-N 3.48Å; A34-G38 PolarHBondContact O-N 2.85Å; A34-E39 HydrophobicContact CB-CB 4.44Å; A34-E39 WeakPolarHBondContact O-CA 3.46Å; A34-E39 PolarHBondContact O-N 3.43Å; A34-Q42 HydrophobicContact CB-CB 4.13Å; A34-A43 HydrophobicContact CB-CB 4Å
35D89.6Confident93Very high21 Ų2161 Ų6111%0.11234%0.336CS..Hα-helixtrans-67.2-42.7177.1-143.6-12.7000111.3G31 L32 G38 A43 Y47 R92G31-D35 WeakPolarHBondContact O-CB 3.44Å; G31-D35 PolarHBondContact O-N 3.21Å; L32-D35 WeakPolarHBondContact O-CA 3.37Å; L32-D35 VanDerWaalsContact O-CB 3.27Å; L32-D35 WeakPolarHBondContact O-CB 3.26Å; L32-D35 PolarHBondContact O-N 3.08Å; D35-G38 PolarHBondContact O-N 3.46Å; D35-A43 HydrophobicContact CB-CB 3.91Å; D35-Y47 HydrophobicContact CB-CE2 4.46Å; D35-Y47 VanDerWaalsContact OD2-CE2 3.3Å; D35-Y47 WeakPolarHBondContact OD2-CE2 3.33Å; D35-Y47 PolarHBondContact OD2-OH 2.68Å; D35-R92 VanDerWaalsContact CG-NH2 3.26Å; D35-R92 IonicContact OD1-CZ 2.98Å; D35-R92 IonicContact OD1-NE 2.64Å; D35-R92 IonicContact OD1-NH2 3.43Å; D35-R92 PolarHBondContact OD1-NH2 3.34Å; D35-R92 IonicContact OD2-CZ 3.35Å; D35-R92 IonicContact OD2-NE 2.68Å; D35-R92 PolarHBondContact OD2-NE 3.49Å; D35-R92 IonicContact OD2-NH2 3.54Å; D35-R92 PolarHBondContact OD2-NH2 3.13Å
36E90.1Very high93Very high155 Ų15561.1 Ų61.172%0.72434%0.336SS*.Hα-helixtrans-65-37.1173.9-70.5168.2165.300112.3L32 G38L32-E36 WeakPolarHBondContact O-CG 3.18Å; L32-E36 PolarHBondContact O-N 2.71Å; E36-G38 PolarHBondContact O-N 3.44Å
37A91.3Very high93Very high72 Ų7256.9 Ų56.960%0.59532%0.316SS*.THydrogen-bonded Turntrans-72.3-7.4171.100000113.7S33 A34 E39S33-A37 WeakPolarHBondContact O-CB 3.42Å; S33-A37 PolarHBondContact O-N 2.83Å; A34-A37 PolarHBondContact O-N 3.48Å; A37-E39 VanDerWaalsContact C-N 3.32Å; A37-E39 HydrophobicContact CB-CG 4.36Å
38G89.6Confident93Very high51 Ų5159.7 Ų59.753%0.52633%0.327SS..THydrogen-bonded Turntrans81.14-177.500000115A34 D35 E36 K40A34-G38 PolarHBondContact O-N 2.85Å; D35-G38 PolarHBondContact O-N 3.46Å; E36-G38 PolarHBondContact O-N 3.44Å; G38-K40 PolarHBondContact O-N 2.91Å
39E93Very high93Very high95 Ų9563.2 Ų63.244%0.44434%0.34SS..  trans-80.859.9-179.8-60.1-164.9170.600112A34 A37 S41 Q42 A43A34-E39 HydrophobicContact CB-CB 4.44Å; A34-E39 WeakPolarHBondContact O-CA 3.46Å; A34-E39 PolarHBondContact O-N 3.43Å; A37-E39 VanDerWaalsContact C-N 3.32Å; A37-E39 HydrophobicContact CB-CG 4.36Å; E39-S41 PolarHBondContact O-N 3.35Å; E39-Q42 HydrophobicContact CB-CB 4.41Å; E39-Q42 PolarHBondContact O-N 3.08Å; E39-Q42 PolarHBondContact OE2-NE2 2.95Å; E39-A43 PolarHBondContact O-N 3.35Å
40K91.2Very high93.2Very high83 Ų8358.8 Ų58.836%0.36132%0.316SS..Hα-helixtrans-44.5-38.9-174.6-58.5-179.4-159.1161.50114.6G38 L44 L96 E103G38-K40 PolarHBondContact O-N 2.91Å; K40-L44 WeakPolarHBondContact O-CB 3.28Å; K40-L44 PolarHBondContact O-N 3.44Å; K40-L96 HydrophobicContact CB-CD2 4Å; K40-L96 HydrophobicContact CG-CD2 4.11Å; K40-E103 IonicContact NZ-OE2 2.65Å; K40-E103 PolarHBondContact NZ-OE2 3.2Å
41S91.8Very high93.3Very high91 Ų9157.9 Ų57.964%0.63631%0.31SS*.Hα-helixtrans-69.4-43.5-177.5510000112.4E39 E45E39-S41 PolarHBondContact O-N 3.35Å; S41-E45 PolarHBondContact O-N 3.29Å; S41-E45 VanDerWaalsContact O-N 3.16Å
42Q91.4Very high93.4Very high87 Ų8764.4 Ų64.441%0.40734%0.341SS..Hα-helixtrans-66.7-44.8172.4-64.8-154.155.900110.7A34 E39 L44 E45 F46A34-Q42 HydrophobicContact CB-CB 4.13Å; E39-Q42 HydrophobicContact CB-CB 4.41Å; E39-Q42 PolarHBondContact O-N 3.08Å; E39-Q42 PolarHBondContact OE2-NE2 2.95Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 2.98Å; Q42-E45 PolarHBondContact O-N 3.06Å; Q42-E45 VanDerWaalsContact O-N 3.12Å; Q42-F46 HydrophobicContact CB-CD2 4.35Å; Q42-F46 HydrophobicContact CB-CE2 4.35Å; Q42-F46 WeakPolarHBondContact O-CD2 3.39Å; Q42-F46 PolarHBondContact O-N 2.77Å
43A93.3Very high93.7Very high0 Ų062.8 Ų62.80%033%0.331CS..Hα-helixtrans-54.2-48.2176.700000111.4G31 A34 D35 E39 E45 F46 Y47 L96G31-A43 WeakPolarHBondContact O-CB 2.94Å; A34-A43 HydrophobicContact CB-CB 4Å; D35-A43 HydrophobicContact CB-CB 3.91Å; E39-A43 PolarHBondContact O-N 3.35Å; A43-E45 PolarHBondContact O-N 3.26Å; A43-F46 PolarHBondContact O-N 3.2Å; A43-Y47 HydrophobicContact CB-CD2 4.36Å; A43-Y47 HydrophobicContact CB-CE2 3.99Å; A43-Y47 WeakPolarHBondContact O-CD2 3.39Å; A43-Y47 PolarHBondContact O-N 3Å; A43-L96 HydrophobicContact CB-CD1 4.37Å
44L93.7Very high93.8Very high30 Ų3059.3 Ų59.316%0.15731%0.306CS..Hα-helixtrans-59.7-41.1176.1176.6157.1000112.9K40 Q42 K48 L96 E97K40-L44 WeakPolarHBondContact O-CB 3.28Å; K40-L44 PolarHBondContact O-N 3.44Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 2.98Å; L44-K48 HydrophobicContact CD2-CD 3.86Å; L44-K48 HydrophobicContact CG-CD 4.5Å; L44-K48 WeakPolarHBondContact O-CB 3.37Å; L44-K48 VanDerWaalsContact O-CG 3.26Å; L44-K48 WeakPolarHBondContact O-CG 3.27Å; L44-K48 PolarHBondContact O-N 2.64Å; L44-L96 HydrophobicContact CB-CB 4.48Å; L44-L96 HydrophobicContact CD1-CB 4.25Å; L44-E97 HydrophobicContact CD1-CG 3.77Å; L44-E97 HydrophobicContact CG-CG 4.47Å
45E95.3Very high94.1Very high96 Ų9663.2 Ų63.245%0.44933%0.326SS..Hα-helixtrans-66.3-44.1174.8-163.8-159.3151.900111.6S41 Q42 A43 K48 R49S41-E45 PolarHBondContact O-N 3.29Å; S41-E45 VanDerWaalsContact O-N 3.16Å; Q42-E45 PolarHBondContact O-N 3.06Å; Q42-E45 VanDerWaalsContact O-N 3.12Å; A43-E45 PolarHBondContact O-N 3.26Å; E45-K48 PolarHBondContact O-N 3.43Å; E45-R49 VanDerWaalsContact CD-CZ 3.44Å; E45-R49 VanDerWaalsContact CD-NH2 3.26Å; E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 2.89Å; E45-R49 IonicContact OE1-CZ 3.5Å; E45-R49 IonicContact OE1-NE 3.17Å; E45-R49 IonicContact OE1-NH1 3.63Å; E45-R49 PolarHBondContact OE1-NH1 3.27Å; E45-R49 IonicContact OE1-NH2 3.37Å; E45-R49 PolarHBondContact OE1-NH2 2.84Å; E45-R49 IonicContact OE2-NH2 3.84Å
46F96.6Very high94.4Very high37 Ų3767.5 Ų67.516%0.16234%0.34CS..Hα-helixtrans-62.2-46.9177.1-82.2-58.9000112.4C27 K30 G31 Q42 A43 K48 R49 G50C27-F46 WeakPolarHBondContact O-CB 3.4Å; K30-F46 HydrophobicContact CB-CD1 3.64Å; K30-F46 HydrophobicContact CB-CD2 4.15Å; K30-F46 HydrophobicContact CB-CE1 3.74Å; K30-F46 HydrophobicContact CB-CE2 4.24Å; K30-F46 HydrophobicContact CB-CG 3.88Å; K30-F46 HydrophobicContact CB-CZ 4.05Å; K30-F46 HydrophobicContact CD-CD1 4.32Å; K30-F46 HydrophobicContact CD-CE1 3.78Å; K30-F46 HydrophobicContact CD-CZ 4.31Å; K30-F46 HydrophobicContact CG-CE1 4.34Å; G31-F46 VanDerWaalsContact CA-CB 3.49Å; Q42-F46 HydrophobicContact CB-CD2 4.35Å; Q42-F46 HydrophobicContact CB-CE2 4.35Å; Q42-F46 WeakPolarHBondContact O-CD2 3.39Å; Q42-F46 PolarHBondContact O-N 2.77Å; A43-F46 PolarHBondContact O-N 3.2Å; F46-K48 VanDerWaalsContact C-N 3.33Å; F46-K48 PolarHBondContact O-N 3.43Å; F46-R49 VanDerWaalsContact CD1-NH2 3.29Å; F46-R49 PolarHBondContact O-N 3.47Å; F46-G50 PolarHBondContact O-N 3.06Å
47Y95.9Very high94.7Very high5 Ų560.1 Ų60.12%0.0231%0.305CS..Hα-helixtrans-63.4-36.1174.6-65.8-53000112.4I28 L32 D35 A43 G50 R51 I89 R92 L96I28-Y47 HydrophobicContact CG2-CE1 4.4Å; L32-Y47 WeakPolarHBondContact CD2-OH 3.31Å; L32-Y47 HydrophobicContact CG-CE1 4.29Å; D35-Y47 HydrophobicContact CB-CE2 4.46Å; D35-Y47 VanDerWaalsContact OD2-CE2 3.3Å; D35-Y47 WeakPolarHBondContact OD2-CE2 3.33Å; D35-Y47 PolarHBondContact OD2-OH 2.68Å; A43-Y47 HydrophobicContact CB-CD2 4.36Å; A43-Y47 HydrophobicContact CB-CE2 3.99Å; A43-Y47 WeakPolarHBondContact O-CD2 3.39Å; A43-Y47 PolarHBondContact O-N 3Å; Y47-G50 PolarHBondContact O-N 2.99Å; Y47-R51 VanDerWaalsContact O-CB 3.3Å; Y47-R51 WeakPolarHBondContact O-CB 3.3Å; Y47-R51 PolarHBondContact O-N 3.17Å; Y47-I89 HydrophobicContact CD1-CG2 4.26Å; Y47-R92 HydrophobicContact CE2-CG 3.98Å; Y47-L96 HydrophobicContact CD2-CD1 3.69Å; Y47-L96 HydrophobicContact CE2-CD1 3.59Å
48K95.9Very high95Very high74 Ų7458.7 Ų58.732%0.32229%0.288SS..Hα-helixtrans-64.9-42.6174.8-77.2178.1-174.9-172.30112.3L44 E45 F46 Q52 L93 E97L44-K48 HydrophobicContact CD2-CD 3.86Å; L44-K48 HydrophobicContact CG-CD 4.5Å; L44-K48 WeakPolarHBondContact O-CB 3.37Å; L44-K48 VanDerWaalsContact O-CG 3.26Å; L44-K48 WeakPolarHBondContact O-CG 3.27Å; L44-K48 PolarHBondContact O-N 2.64Å; E45-K48 PolarHBondContact O-N 3.43Å; F46-K48 VanDerWaalsContact C-N 3.33Å; F46-K48 PolarHBondContact O-N 3.43Å; K48-Q52 PolarHBondContact O-N 3.36Å; K48-Q52 VanDerWaalsContact O-N 3.17Å; K48-L93 HydrophobicContact CG-CD2 3.86Å; K48-E97 WeakPolarHBondContact CE-OE1 3.33Å; K48-E97 IonicContact NZ-OE1 3.56Å; K48-E97 PolarHBondContact NZ-OE1 3.41Å
49R96.3Very high95.3Very high82 Ų8260.4 Ų60.431%0.30929%0.292SS..Hα-helixtrans-65.7-44173.8-71.5-176.5-70.7-147.9-9.5112.2C27 E45 F46 R51 Q52 H53C27-R49 HydrophobicContact CB-CB 4.41Å; E45-R49 VanDerWaalsContact CD-CZ 3.44Å; E45-R49 VanDerWaalsContact CD-NH2 3.26Å; E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 2.89Å; E45-R49 IonicContact OE1-CZ 3.5Å; E45-R49 IonicContact OE1-NE 3.17Å; E45-R49 IonicContact OE1-NH1 3.63Å; E45-R49 PolarHBondContact OE1-NH1 3.27Å; E45-R49 IonicContact OE1-NH2 3.37Å; E45-R49 PolarHBondContact OE1-NH2 2.84Å; E45-R49 IonicContact OE2-NH2 3.84Å; F46-R49 VanDerWaalsContact CD1-NH2 3.29Å; F46-R49 PolarHBondContact O-N 3.47Å; R49-R51 PolarHBondContact O-N 3.44Å; R49-Q52 WeakPolarHBondContact O-CB 3.3Å; R49-Q52 PolarHBondContact O-N 2.92Å; R49-H53 PolarHBondContact O-CD2 3.45Å; R49-H53 PolarHBondContact O-N 2.84Å
50G96.3Very high95.4Very high0 Ų056.8 Ų56.80%028%0.276CS..Hα-helixtrans-55.7-52173.900000111.8F46 Y47 Q52 H53 L54F46-G50 PolarHBondContact O-N 3.06Å; Y47-G50 PolarHBondContact O-N 2.99Å; G50-Q52 VanDerWaalsContact C-N 3.27Å; G50-Q52 PolarHBondContact O-N 3.24Å; G50-H53 PolarHBondContact O-N 3.43Å; G50-H53 VanDerWaalsContact O-N 3.08Å; G50-L54 WeakPolarHBondContact O-CG 3.42Å; G50-L54 PolarHBondContact O-N 3.36Å
51R96.5Very high95.6Very high76 Ų7657 Ų5729%0.28729%0.285SS..Hα-helixtrans-52.2-42.4174.9-176.4168.873.4-178.41112.6Y47 R49 L55 L86 I89Y47-R51 VanDerWaalsContact O-CB 3.3Å; Y47-R51 WeakPolarHBondContact O-CB 3.3Å; Y47-R51 PolarHBondContact O-N 3.17Å; R49-R51 PolarHBondContact O-N 3.44Å; R51-L55 HydrophobicContact CG-CD1 3.99Å; R51-L55 WeakPolarHBondContact O-CB 3.38Å; R51-L55 VanDerWaalsContact O-CG 3.27Å; R51-L55 WeakPolarHBondContact O-CG 3.27Å; R51-L55 PolarHBondContact O-N 3.31Å; R51-L86 HydrophobicContact CB-CD2 4.26Å; R51-L86 HydrophobicContact CG-CD2 3.74Å; R51-I89 HydrophobicContact CB-CD1 3.94Å
52Q96.9Very high95.6Very high138 Ų13853.2 Ų53.265%0.64526%0.259SS*.Hα-helixtrans-66.3-41.3177.9-172.7179.4-0.600112.7K48 R49 G50 R56K48-Q52 PolarHBondContact O-N 3.36Å; K48-Q52 VanDerWaalsContact O-N 3.17Å; R49-Q52 WeakPolarHBondContact O-CB 3.3Å; R49-Q52 PolarHBondContact O-N 2.92Å; G50-Q52 VanDerWaalsContact C-N 3.27Å; G50-Q52 PolarHBondContact O-N 3.24Å; Q52-R56 WeakPolarHBondContact O-CB 3.47Å; Q52-R56 PolarHBondContact O-N 3.2Å; Q52-R56 VanDerWaalsContact O-N 3.08Å
53H97.5Very high95.4Very high42 Ų4257.4 Ų57.419%0.19427%0.271CS..Hα-helixtrans-68.5-42.6176.6-71.9-49000112.6G20 R23 R49 G50 R56 G57G20-H53 WeakPolarHBondContact CA-O 2.99Å; G20-H53 CarbonylContact O-C 3.56Å; R23-H53 PolarHBondContact NE-CE1 3.44Å; R49-H53 PolarHBondContact O-CD2 3.45Å; R49-H53 PolarHBondContact O-N 2.84Å; G50-H53 PolarHBondContact O-N 3.43Å; G50-H53 VanDerWaalsContact O-N 3.08Å; H53-R56 PolarHBondContact O-N 2.75Å; H53-G57 PolarHBondContact O-N 3.32Å
54L96.6Very high95Very high0 Ų059.3 Ų59.30%029%0.291CS..Hα-helixtrans-60.4-48.1175.1-63-177.1000111.5F25 I28 G50 R56 G57 I58 M82 T85 L86 I89F25-L54 HydrophobicContact CD2-CD2 4.49Å; F25-L54 HydrophobicContact CE2-CD2 4.2Å; I28-L54 HydrophobicContact CD1-CD1 3.48Å; I28-L54 VanDerWaalsContact CD1-CD1 3.48Å; I28-L54 HydrophobicContact CD1-CD2 4.48Å; I28-L54 HydrophobicContact CD1-CG 4.12Å; G50-L54 WeakPolarHBondContact O-CG 3.42Å; G50-L54 PolarHBondContact O-N 3.36Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3Å; L54-G57 PolarHBondContact O-N 3.11Å; L54-G57 VanDerWaalsContact O-N 3.15Å; L54-I58 WeakPolarHBondContact O-CD1 3.41Å; L54-I58 WeakPolarHBondContact O-CG1 3.47Å; L54-I58 PolarHBondContact O-N 2.84Å; L54-M82 HydrophobicContact CB-CB 4.29Å; L54-M82 HydrophobicContact CD2-CB 3.79Å; L54-M82 HydrophobicContact CD2-CG 3.48Å; L54-M82 VanDerWaalsContact CD2-CG 3.48Å; L54-M82 HydrophobicContact CD2-SD 3.88Å; L54-T85 HydrophobicContact CD1-CG2 3.99Å; L54-L86 HydrophobicContact CB-CD1 4.41Å; L54-L86 HydrophobicContact CB-CD2 3.81Å; L54-L86 HydrophobicContact CB-CG 3.9Å; L54-L86 HydrophobicContact CD1-CD2 3.84Å; L54-L86 HydrophobicContact CD1-CG 3.94Å; L54-L86 HydrophobicContact CG-CD2 4.46Å; L54-I89 HydrophobicContact CD1-CD1 4.16Å
55L97.4Very high94.5Very high93 Ų9367.2 Ų67.249%0.48733%0.327SS..Hα-helixtrans-59.7-40.1176.7-75.7168.7000112.4R51 I58 S59 L86R51-L55 HydrophobicContact CG-CD1 3.99Å; R51-L55 WeakPolarHBondContact O-CB 3.38Å; R51-L55 VanDerWaalsContact O-CG 3.27Å; R51-L55 WeakPolarHBondContact O-CG 3.27Å; R51-L55 PolarHBondContact O-N 3.31Å; L55-I58 PolarHBondContact O-N 3.46Å; L55-S59 WeakPolarHBondContact O-CB 3.48Å; L55-S59 PolarHBondContact O-N 3.48Å; L55-L86 HydrophobicContact CD2-CD1 3.6Å; L55-L86 HydrophobicContact CG-CD1 3.93Å; L55-L86 HydrophobicContact CG-CD2 4.32Å
56R96.7Very high94Very high110 Ų11066.2 Ų66.242%0.41532%0.322SS..Hα-helixtrans-61.3-45.3174.3-177.6176.4174.9-128.9-8.4111.4V16 D19 Q52 H53 L54 S59V16-R56 HydrophobicContact CG1-CG 4.25Å; D19-R56 IonicContact OD2-CZ 2.75Å; D19-R56 IonicContact OD2-NH1 3.56Å; D19-R56 PolarHBondContact OD2-NH1 2.7Å; D19-R56 IonicContact OD2-NH2 3.15Å; Q52-R56 WeakPolarHBondContact O-CB 3.47Å; Q52-R56 PolarHBondContact O-N 3.2Å; Q52-R56 VanDerWaalsContact O-N 3.08Å; H53-R56 PolarHBondContact O-N 2.75Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3Å; R56-S59 PolarHBondContact O-N 2.93Å; R56-S59 PolarHBondContact O-OG 2.63Å
57G95.9Very high93.5Very high0 Ų064.6 Ų64.60%032%0.315CS..Hα-helixtrans-63.9-41.2177.500000113.4H53 L54 Q79H53-G57 PolarHBondContact O-N 3.32Å; L54-G57 PolarHBondContact O-N 3.11Å; L54-G57 VanDerWaalsContact O-N 3.15Å; G57-Q79 PolarHBondContact O-NE2 3.39Å
58I96.6Very high93.1Very high43 Ų4369.6 Ų69.622%0.22135%0.346CS..Hα-helixtrans-70.2-30.9178.5-65.5159.8000112.2L54 L55 V60 M82 Q83 L86L54-I58 WeakPolarHBondContact O-CD1 3.41Å; L54-I58 WeakPolarHBondContact O-CG1 3.47Å; L54-I58 PolarHBondContact O-N 2.84Å; L55-I58 PolarHBondContact O-N 3.46Å; I58-V60 PolarHBondContact O-N 2.78Å; I58-V60 VanDerWaalsContact O-N 3.1Å; I58-M82 HydrophobicContact CD1-CB 3.74Å; I58-M82 HydrophobicContact CG1-CB 3.77Å; I58-Q83 HydrophobicContact CD1-CB 4.1Å; I58-L86 HydrophobicContact CD1-CD1 3.4Å; I58-L86 HydrophobicContact CD1-CG 4.16Å
59S96.5Very high92.8Very high87 Ų8767.3 Ų67.361%0.60834%0.344SS*.THydrogen-bonded Turntrans-65.8-11-17871.60000115.6L55 R56L55-S59 WeakPolarHBondContact O-CB 3.48Å; L55-S59 PolarHBondContact O-N 3.48Å; R56-S59 PolarHBondContact O-N 2.93Å; R56-S59 PolarHBondContact O-OG 2.63Å
60V96.1Very high92.5Very high18 Ų1867.2 Ų67.211%0.10936%0.356CS..SBendtrans-85124.5-179.4-174.80000110.7R13 V16 I17 I58 S62 Q79R13-V60 HydrophobicContact CB-CG1 3.74Å; R13-V60 HydrophobicContact CG-CG1 4Å; V16-V60 HydrophobicContact CB-CG2 4.08Å; V16-V60 HydrophobicContact CG1-CG2 3.62Å; I17-V60 HydrophobicContact CD1-CB 3.94Å; I17-V60 HydrophobicContact CD1-CG1 3.86Å; I17-V60 HydrophobicContact CG1-CB 3.63Å; I17-V60 HydrophobicContact CG1-CG1 3.9Å; I17-V60 HydrophobicContact CG1-CG2 3.99Å; I58-V60 PolarHBondContact O-N 2.78Å; I58-V60 VanDerWaalsContact O-N 3.1Å; V60-S62 PolarHBondContact O-N 2.91Å; V60-Q79 PolarHBondContact O-NE2 3.16Å
61P94.4Very high92.3Very high87 Ų8770.3 Ų70.357%0.56538%0.378SS*.  trans-62.5131176-23.734.7000112.6R13R13-P61 PolarHBondContact NE-O 2.98Å; R13-P61 PolarHBondContact NH2-O 3.24Å
62S91.9Very high92.2Very high12 Ų1267.1 Ų67.18%0.08437%0.366CS..  trans-132.48.9-177.963.10000113.8V60 C67 R76 Q79V60-S62 PolarHBondContact O-N 2.91Å; S62-C67 WeakPolarHBondContact O-CB 3.17Å; S62-R76 PolarHBondContact O-NH1 3.33Å; S62-Q79 PolarHBondContact OG-OE1 2.92Å
63R86.9Confident92Very high176 Ų17663.6 Ų63.666%0.66435%0.349SS*.  trans-120.4121.6172.8-63.4-174.8178.6-143-2.8107.3E178R63-E178 IonicContact CZ-OE1 2.66Å; R63-E178 IonicContact NH1-OE1 3.11Å; R63-E178 PolarHBondContact NH1-OE1 3.43Å; R63-E178 VanDerWaalsContact NH1-OE1 3.08Å; R63-E178 IonicContact NH2-OE1 2.71Å; R63-E178 PolarHBondContact NH2-OE1 3.33Å
64G85.3Confident91.8Very high40 Ų4063.7 Ų63.741%0.41236%0.355SS..SBendtrans168.6165.1-173.400000111.2E66 C67G64-E66 VanDerWaalsContact C-OE2 3.29Å; G64-E66 WeakPolarHBondContact CA-OE2 3.45Å; G64-E66 PolarHBondContact O-N 3.43Å; G64-C67 PolarHBondContact O-N 2.99Å; G64-C67 VanDerWaalsContact O-N 3.11Å
65E82.9Confident91.7Very high196 Ų19663.7 Ų63.792%0.91636%0.355SS*.THydrogen-bonded Turntrans-67.6-19.8179.6-65.1-176.2172.500112.7V68E65-V68 WeakPolarHBondContact O-CG2 3.42Å
66E84.3Confident91.7Very high75 Ų7562.1 Ų62.135%0.3534%0.342SS..THydrogen-bonded Turntrans-87.2-15.5173.582.2-69.2-175.200113.4R13 G64 V68 W72R13-E66 IonicContact CZ-OE1 3.86Å; R13-E66 IonicContact NH1-OE1 3.15Å; R13-E66 PolarHBondContact NH1-OE1 3.43Å; R13-E66 IonicContact NH2-OE1 3.49Å; R13-E66 PolarHBondContact NH2-OE1 3.21Å; G64-E66 VanDerWaalsContact C-OE2 3.29Å; G64-E66 WeakPolarHBondContact CA-OE2 3.45Å; G64-E66 PolarHBondContact O-N 3.43Å; E66-V68 VanDerWaalsContact C-N 3.3Å; E66-V68 PolarHBondContact O-N 3.26Å; E66-V68 VanDerWaalsContact O-N 3.14Å; E66-W72 PolarHBondContact O-NE1 3.47Å
67C87.3Confident91.6Very high2 Ų261.8 Ų61.81%0.01434%0.341CS..  trans-89.348.7-174.5-65.30000113.4R13 S62 G64 W72 R76R13-C67 PolarHBondContact NH2-SG 3.12Å; S62-C67 WeakPolarHBondContact O-CB 3.17Å; G64-C67 PolarHBondContact O-N 2.99Å; G64-C67 VanDerWaalsContact O-N 3.11Å; C67-W72 VanDerWaalsContact C-CD1 3.46Å; C67-W72 VanDerWaalsContact C-CG 3.45Å; C67-W72 HydrophobicContact CB-CB 4.42Å; C67-W72 HydrophobicContact CB-CD2 3.81Å; C67-W72 HydrophobicContact CB-CE3 4.03Å; C67-W72 HydrophobicContact CB-CG 4.01Å; C67-W72 WeakPolarHBondContact O-CB 3.4Å; C67-R76 PolarHBondContact O-NH1 3.44Å; C67-R76 PolarHBondContact O-NH2 2.69Å
68V87.1Confident91.6Very high110 Ų11063.3 Ų63.367%0.66735%0.348SS*.  trans-109.1142.7-170.8-175.10000112.2E65 E66E65-V68 WeakPolarHBondContact O-CG2 3.42Å; E66-V68 VanDerWaalsContact C-N 3.3Å; E66-V68 PolarHBondContact O-N 3.26Å; E66-V68 VanDerWaalsContact O-N 3.14Å
69G89.6Confident91.6Very high27 Ų2762.1 Ų62.128%0.27834%0.342SS..SBendtrans99168.1177.400000114.4S71 W72 E73G69-S71 VanDerWaalsContact C-N 3.28Å; G69-S71 PolarHBondContact O-N 3.07Å; G69-S71 VanDerWaalsContact O-N 3.15Å; G69-W72 WeakPolarHBondContact O-CA 3.26Å; G69-W72 WeakPolarHBondContact O-CB 3.41Å; G69-W72 PolarHBondContact O-N 3.27Å; G69-E73 PolarHBondContact O-N 3.37Å
70S90.4Very high91.6Very high80 Ų8060.4 Ų60.456%0.55932%0.324SS*.Hα-helixtrans-60-28.5-168.554.80000115.2W72 E73 S74S70-W72 VanDerWaalsContact C-N 3.32Å; S70-W72 PolarHBondContact O-N 3.48Å; S70-E73 PolarHBondContact O-N 3.29Å; S70-S74 VanDerWaalsContact O-CB 3.27Å; S70-S74 WeakPolarHBondContact O-CB 3.36Å; S70-S74 PolarHBondContact O-N 3.29Å
71S91.3Very high91.5Very high65 Ų6563.9 Ų63.946%0.45534%0.338SS..Hα-helixtrans-64.6-36.8172.756.30000112.6L14 G69 A75L14-S71 VanDerWaalsContact CD2-O 3.31Å; L14-S71 WeakPolarHBondContact CD2-O 3.45Å; G69-S71 VanDerWaalsContact C-N 3.28Å; G69-S71 PolarHBondContact O-N 3.07Å; G69-S71 VanDerWaalsContact O-N 3.15Å; S71-A75 WeakPolarHBondContact O-CB 3.45Å; S71-A75 PolarHBondContact O-N 3.25Å; S71-A75 VanDerWaalsContact O-N 3.11Å
72W95.1Very high91.6Very high9 Ų959.7 Ų59.73%0.03431%0.311CS..Hα-helixtrans-79.9-30.8176.2-82115.4000113.1D10 R13 L14 I17 E66 C67 G69 S70 A75 R76D10-W72 HydrophobicContact CB-CZ2 3.84Å; R13-W72 HydrophobicContact CB-CH2 3.67Å; R13-W72 HydrophobicContact CB-CZ2 4.36Å; L14-W72 HydrophobicContact CD2-CD2 3.61Å; L14-W72 HydrophobicContact CD2-CE3 3.57Å; L14-W72 HydrophobicContact CD2-CG 4.12Å; L14-W72 HydrophobicContact CD2-CH2 4.3Å; L14-W72 HydrophobicContact CD2-CZ2 4.36Å; L14-W72 HydrophobicContact CD2-CZ3 3.92Å; L14-W72 HydrophobicContact CG-CD2 4.22Å; L14-W72 HydrophobicContact CG-CE3 4.38Å; L14-W72 HydrophobicContact CG-CH2 4.3Å; L14-W72 HydrophobicContact CG-CZ2 4.15Å; L14-W72 HydrophobicContact CG-CZ3 4.41Å; I17-W72 HydrophobicContact CD1-CZ3 4.1Å; E66-W72 PolarHBondContact O-NE1 3.47Å; C67-W72 VanDerWaalsContact C-CD1 3.46Å; C67-W72 VanDerWaalsContact C-CG 3.45Å; C67-W72 HydrophobicContact CB-CB 4.42Å; C67-W72 HydrophobicContact CB-CD2 3.81Å; C67-W72 HydrophobicContact CB-CE3 4.03Å; C67-W72 HydrophobicContact CB-CG 4.01Å; C67-W72 WeakPolarHBondContact O-CB 3.4Å; G69-W72 WeakPolarHBondContact O-CA 3.26Å; G69-W72 WeakPolarHBondContact O-CB 3.41Å; G69-W72 PolarHBondContact O-N 3.27Å; S70-W72 VanDerWaalsContact C-N 3.32Å; S70-W72 PolarHBondContact O-N 3.48Å; W72-A75 HydrophobicContact CE3-CB 4.22Å; W72-A75 PolarHBondContact O-N 3.24Å; W72-R76 WeakPolarHBondContact O-CG 3.42Å; W72-R76 PolarHBondContact O-N 2.92Å
73E93Very high91.8Very high64 Ų6463 Ų6330%0.29933%0.325SS..Hα-helixtrans-64.5-45.9170.7-65.6157.4-164.300110.1G69 S70 A75 R76 R77 E181G69-E73 PolarHBondContact O-N 3.37Å; S70-E73 PolarHBondContact O-N 3.29Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 3.22Å; E73-R76 WeakPolarHBondContact O-CA 3.45Å; E73-R76 WeakPolarHBondContact O-CB 3.33Å; E73-R76 PolarHBondContact O-N 2.84Å; E73-R77 PolarHBondContact O-N 3.09Å; E73-E181 HydrophobicContact CB-CG 3.99Å
74S93.2Very high92.1Very high44 Ų4459.4 Ų59.431%0.30832%0.316SS..Hα-helixtrans-61.8-39.4175.6-166.70000112.2S70 R77 M78 E181S70-S74 VanDerWaalsContact O-CB 3.27Å; S70-S74 WeakPolarHBondContact O-CB 3.36Å; S70-S74 PolarHBondContact O-N 3.29Å; S74-R77 PolarHBondContact O-N 3.21Å; S74-M78 WeakPolarHBondContact O-CB 3.23Å; S74-M78 WeakPolarHBondContact O-CG 3.46Å; S74-M78 PolarHBondContact O-N 2.97Å; S74-E181 WeakPolarHBondContact CA-OE1 3.42Å; S74-E181 WeakPolarHBondContact CA-OE2 3.38Å; S74-E181 WeakPolarHBondContact CB-OE1 3.43Å; S74-E181 PolarHBondContact N-OE1 3.38Å
75A94.8Very high92.4Very high0 Ų058.6 Ų58.60%030%0.303CS..Hα-helixtrans-63-41.1172.200000112.9L14 I17 S71 W72 E73 M78 Q79L14-A75 HydrophobicContact CD2-CB 3.53Å; I17-A75 HydrophobicContact CD1-CB 3.83Å; I17-A75 HydrophobicContact CG2-CB 4.09Å; S71-A75 WeakPolarHBondContact O-CB 3.45Å; S71-A75 PolarHBondContact O-N 3.25Å; S71-A75 VanDerWaalsContact O-N 3.11Å; W72-A75 HydrophobicContact CE3-CB 4.22Å; W72-A75 PolarHBondContact O-N 3.24Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 3.22Å; A75-M78 PolarHBondContact O-N 2.85Å; A75-Q79 WeakPolarHBondContact O-CG 3.46Å; A75-Q79 PolarHBondContact O-N 2.9Å
76R96.5Very high92.8Very high59 Ų5949.7 Ų49.722%0.22326%0.262CS..Hα-helixtrans-63.8-44.6173.8-75.5-178.3-73.7-95.26.9111.9S62 C67 W72 E73 Q79 Q80S62-R76 PolarHBondContact O-NH1 3.33Å; C67-R76 PolarHBondContact O-NH1 3.44Å; C67-R76 PolarHBondContact O-NH2 2.69Å; W72-R76 WeakPolarHBondContact O-CG 3.42Å; W72-R76 PolarHBondContact O-N 2.92Å; E73-R76 WeakPolarHBondContact O-CA 3.45Å; E73-R76 WeakPolarHBondContact O-CB 3.33Å; E73-R76 PolarHBondContact O-N 2.84Å; R76-Q79 PolarHBondContact O-N 3.36Å; R76-Q80 PolarHBondContact O-N 2.88Å
77R94.5Very high92.9Very high103 Ų10351 Ų5139%0.38927%0.271SS..Hα-helixtrans-64.8-39.4177-176.4167.257.4155.5-7.3112.2E73 S74 Q80 K81 E181 M182E73-R77 PolarHBondContact O-N 3.09Å; S74-R77 PolarHBondContact O-N 3.21Å; R77-Q80 PolarHBondContact O-N 3.47Å; R77-K81 PolarHBondContact O-N 3.05Å; R77-K81 VanDerWaalsContact O-N 3.09Å; R77-E181 HydrophobicContact CB-CB 4.27Å; R77-E181 IonicContact CZ-OE2 2.79Å; R77-E181 PolarHBondContact NE-O 3.33Å; R77-E181 IonicContact NE-OE2 2.68Å; R77-E181 PolarHBondContact NE-OE2 3.39Å; R77-E181 PolarHBondContact NH1-O 3.06Å; R77-E181 IonicContact NH2-OE2 2.72Å; R77-E181 PolarHBondContact NH2-OE2 2.85Å; R77-M182 VanDerWaalsContact CZ-O 3.31Å; R77-M182 PolarHBondContact NH1-O 3.18Å; R77-M182 PolarHBondContact NH2-O 3.13Å; R77-M182 VanDerWaalsContact NH2-O 3.15Å
78M95Very high92.9Very high33 Ų3356.6 Ų56.616%0.16330%0.3CS..Hα-helixtrans-57.8-49.4170.4-78.1-170.7-73.800111I17 K18 Y21 S74 A75 Q80 K81 M82I17-M78 HydrophobicContact CG2-CB 4.24Å; I17-M78 HydrophobicContact CG2-CE 4.32Å; K18-M78 HydrophobicContact CB-CE 4.18Å; K18-M78 HydrophobicContact CB-SD 4.39Å; K18-M78 HydrophobicContact CG-SD 4.45Å; Y21-M78 HydrophobicContact CD1-CG 4.38Å; Y21-M78 HydrophobicContact CD1-SD 4.08Å; Y21-M78 HydrophobicContact CD2-CB 3.74Å; Y21-M78 HydrophobicContact CD2-CG 3.73Å; Y21-M78 HydrophobicContact CD2-SD 4.32Å; Y21-M78 HydrophobicContact CE2-CB 4.33Å; Y21-M78 HydrophobicContact CE2-CG 4.07Å; Y21-M78 HydrophobicContact CG-CB 4.19Å; Y21-M78 HydrophobicContact CG-CG 3.92Å; Y21-M78 HydrophobicContact CG-SD 3.87Å; S74-M78 WeakPolarHBondContact O-CB 3.23Å; S74-M78 WeakPolarHBondContact O-CG 3.46Å; S74-M78 PolarHBondContact O-N 2.97Å; A75-M78 PolarHBondContact O-N 2.85Å; M78-Q80 PolarHBondContact O-N 2.83Å; M78-K81 PolarHBondContact O-N 3.03Å; M78-M82 HydrophobicContact CB-CE 4.4Å; M78-M82 VanDerWaalsContact O-CG 3.26Å; M78-M82 WeakPolarHBondContact O-CG 3.25Å; M78-M82 PolarHBondContact O-N 3.07Å
79Q97.1Very high93.1Very high18 Ų1851.5 Ų51.58%0.08427%0.269CS..Hα-helixtrans-63-41.1179.3-73.5179.9-33.600113.9I17 G57 V60 S62 A75 R76 M82 Q83I17-Q79 HydrophobicContact CG2-CG 3.77Å; G57-Q79 PolarHBondContact O-NE2 3.39Å; V60-Q79 PolarHBondContact O-NE2 3.16Å; S62-Q79 PolarHBondContact OG-OE1 2.92Å; A75-Q79 WeakPolarHBondContact O-CG 3.46Å; A75-Q79 PolarHBondContact O-N 2.9Å; R76-Q79 PolarHBondContact O-N 3.36Å; Q79-M82 HydrophobicContact CG-CE 3.92Å; Q79-M82 PolarHBondContact O-N 3.44Å; Q79-Q83 PolarHBondContact O-N 3.17Å
80Q96.4Very high92.9Very high51 Ų5153.4 Ų53.424%0.23828%0.276CS..Hα-helixtrans-55.7-53.3173.4173178.2-2000110.5R76 R77 M78 M82 Q83 E84 T177 S179R76-Q80 PolarHBondContact O-N 2.88Å; R77-Q80 PolarHBondContact O-N 3.47Å; M78-Q80 PolarHBondContact O-N 2.83Å; Q80-M82 VanDerWaalsContact C-N 3.3Å; Q80-M82 PolarHBondContact O-N 3.3Å; Q80-Q83 WeakPolarHBondContact O-CB 3.48Å; Q80-Q83 PolarHBondContact O-N 2.93Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.35Å; Q80-E84 PolarHBondContact NE2-OE1 2.87Å; Q80-E84 WeakPolarHBondContact O-CG 3.47Å; Q80-E84 PolarHBondContact O-N 2.99Å; Q80-T177 PolarHBondContact NE2-OG1 3.12Å; Q80-S179 PolarHBondContact OE1-OG 3.06Å
81K94.3Very high92.7Very high90 Ų9054 Ų5439%0.39128%0.276SS..Hα-helixtrans-64.4-32.8179.7-174.2174.6169.5-169.50112.8Y21 F25 R77 M78 T85Y21-K81 HydrophobicContact CE2-CB 4.43Å; Y21-K81 HydrophobicContact CE2-CD 4.06Å; Y21-K81 HydrophobicContact CE2-CG 4.41Å; Y21-K81 PolarHBondContact OH-NZ 3.19Å; F25-K81 HydrophobicContact CE2-CG 4.47Å; F25-K81 HydrophobicContact CZ-CD 4.34Å; F25-K81 HydrophobicContact CZ-CG 3.94Å; R77-K81 PolarHBondContact O-N 3.05Å; R77-K81 VanDerWaalsContact O-N 3.09Å; M78-K81 PolarHBondContact O-N 3.03Å; K81-T85 VanDerWaalsContact O-CB 3.32Å; K81-T85 WeakPolarHBondContact O-CB 3.32Å; K81-T85 PolarHBondContact O-N 3.3Å; K81-T85 VanDerWaalsContact O-N 3.08Å; K81-T85 PolarHBondContact O-OG1 3.34Å
82M97.3Very high92.5Very high0 Ų055.2 Ų55.20%027%0.271CS..Hα-helixtrans-63.3-41.3170.3-68.6-165.5-93.900111.6I17 Y21 F25 L54 I58 M78 Q79 Q80 T85 L86I17-M82 HydrophobicContact CG2-CE 3.91Å; Y21-M82 VanDerWaalsContact CA-SD 3.59Å; Y21-M82 HydrophobicContact CD2-CG 3.89Å; Y21-M82 PolarHBondContact N-SD 3.17Å; F25-M82 HydrophobicContact CE2-CG 4.41Å; L54-M82 HydrophobicContact CB-CB 4.29Å; L54-M82 HydrophobicContact CD2-CB 3.79Å; L54-M82 HydrophobicContact CD2-CG 3.48Å; L54-M82 VanDerWaalsContact CD2-CG 3.48Å; L54-M82 HydrophobicContact CD2-SD 3.88Å; I58-M82 HydrophobicContact CD1-CB 3.74Å; I58-M82 HydrophobicContact CG1-CB 3.77Å; M78-M82 HydrophobicContact CB-CE 4.4Å; M78-M82 VanDerWaalsContact O-CG 3.26Å; M78-M82 WeakPolarHBondContact O-CG 3.25Å; M78-M82 PolarHBondContact O-N 3.07Å; Q79-M82 HydrophobicContact CG-CE 3.92Å; Q79-M82 PolarHBondContact O-N 3.44Å; Q80-M82 VanDerWaalsContact C-N 3.3Å; Q80-M82 PolarHBondContact O-N 3.3Å; M82-T85 PolarHBondContact O-N 3.04Å; M82-L86 WeakPolarHBondContact O-CG 3.38Å; M82-L86 PolarHBondContact O-N 3.43Å
83Q95.4Very high92.1Very high80 Ų8054.8 Ų54.837%0.37427%0.269SS..Hα-helixtrans-70.6-40.3-179.3-176.159.770.600112.6I58 Q79 Q80 T85 L86 N87I58-Q83 HydrophobicContact CD1-CB 4.1Å; Q79-Q83 PolarHBondContact O-N 3.17Å; Q80-Q83 WeakPolarHBondContact O-CB 3.48Å; Q80-Q83 PolarHBondContact O-N 2.93Å; Q83-T85 VanDerWaalsContact C-N 3.32Å; Q83-L86 PolarHBondContact O-N 3.3Å; Q83-N87 PolarHBondContact NE2-OD1 3.12Å; Q83-N87 PolarHBondContact O-N 2.84Å; Q83-N87 PolarHBondContact O-OD1 3.45Å
84E93Very high91.9Very high101 Ų10154 Ų5447%0.47227%0.274SS..Hα-helixtrans-59-45.2171.5-69.3162.5-17800110.8Q80 N87 N88Q80-E84 WeakPolarHBondContact CG-OE1 3.35Å; Q80-E84 PolarHBondContact NE2-OE1 2.87Å; Q80-E84 WeakPolarHBondContact O-CG 3.47Å; Q80-E84 PolarHBondContact O-N 2.99Å; E84-N87 PolarHBondContact O-N 3.25Å; E84-N88 PolarHBondContact O-N 3.36Å
85T90.9Very high91.6Very high24 Ų2457.2 Ų57.215%0.14729%0.285CS..Hα-helixtrans-67.7-37.5179.1-55.30000112.2F25 I28 L54 K81 M82 Q83 N87 N88 I89F25-T85 HydrophobicContact CE1-CG2 3.91Å; F25-T85 HydrophobicContact CZ-CG2 4.13Å; F25-T85 VanDerWaalsContact CZ-OG1 3.25Å; F25-T85 WeakPolarHBondContact CZ-OG1 3.37Å; I28-T85 HydrophobicContact CD1-CG2 3.72Å; L54-T85 HydrophobicContact CD1-CG2 3.99Å; K81-T85 VanDerWaalsContact O-CB 3.32Å; K81-T85 WeakPolarHBondContact O-CB 3.32Å; K81-T85 PolarHBondContact O-N 3.3Å; K81-T85 VanDerWaalsContact O-N 3.08Å; K81-T85 PolarHBondContact O-OG1 3.34Å; M82-T85 PolarHBondContact O-N 3.04Å; Q83-T85 VanDerWaalsContact C-N 3.32Å; T85-N87 VanDerWaalsContact C-N 3.29Å; T85-N87 PolarHBondContact O-N 2.91Å; T85-N88 PolarHBondContact O-N 3.02Å; T85-I89 HydrophobicContact CG2-CG2 4.25Å; T85-I89 PolarHBondContact O-N 3.01Å
86L92.3Very high91.1Very high9 Ų957.6 Ų57.65%0.04729%0.287CS..Hα-helixtrans-56.7-42.3173.1-85.3-174.3000112.4R51 L54 L55 I58 M82 Q83 N88 I89 T90R51-L86 HydrophobicContact CB-CD2 4.26Å; R51-L86 HydrophobicContact CG-CD2 3.74Å; L54-L86 HydrophobicContact CB-CD1 4.41Å; L54-L86 HydrophobicContact CB-CD2 3.81Å; L54-L86 HydrophobicContact CB-CG 3.9Å; L54-L86 HydrophobicContact CD1-CD2 3.84Å; L54-L86 HydrophobicContact CD1-CG 3.94Å; L54-L86 HydrophobicContact CG-CD2 4.46Å; L55-L86 HydrophobicContact CD2-CD1 3.6Å; L55-L86 HydrophobicContact CG-CD1 3.93Å; L55-L86 HydrophobicContact CG-CD2 4.32Å; I58-L86 HydrophobicContact CD1-CD1 3.4Å; I58-L86 HydrophobicContact CD1-CG 4.16Å; M82-L86 WeakPolarHBondContact O-CG 3.38Å; M82-L86 PolarHBondContact O-N 3.43Å; Q83-L86 PolarHBondContact O-N 3.3Å; L86-N88 VanDerWaalsContact C-N 3.34Å; L86-I89 HydrophobicContact CD2-CD1 4.26Å; L86-T90 VanDerWaalsContact O-CB 3.31Å; L86-T90 WeakPolarHBondContact O-CB 3.25Å; L86-T90 PolarHBondContact O-N 2.8Å; L86-T90 VanDerWaalsContact O-N 3.09Å; L86-T90 PolarHBondContact O-OG1 2.67Å
87N86.1Confident90.6Very high103 Ų10357.9 Ų57.955%0.55129%0.291SS*.Hα-helixtrans-64.4-41.3179.4-63.1-12.7000110.9Q83 E84 T85Q83-N87 PolarHBondContact NE2-OD1 3.12Å; Q83-N87 PolarHBondContact O-N 2.84Å; Q83-N87 PolarHBondContact O-OD1 3.45Å; E84-N87 PolarHBondContact O-N 3.25Å; T85-N87 VanDerWaalsContact C-N 3.29Å; T85-N87 PolarHBondContact O-N 2.91Å
88N86.8Confident90Very high118 Ų11857.3 Ų57.363%0.63130%0.299SS*.Hα-helixtrans-64.2-56.2176.8-173.8-64.9000112.1E84 T85 L86 T90 T91 R92E84-N88 PolarHBondContact O-N 3.36Å; T85-N88 PolarHBondContact O-N 3.02Å; L86-N88 VanDerWaalsContact C-N 3.34Å; N88-T90 PolarHBondContact O-N 3.18Å; N88-T91 PolarHBondContact O-N 2.66Å; N88-R92 PolarHBondContact O-N 3.37Å
89I91.7Very high88.8Confident3 Ų357.3 Ų57.32%0.01530%0.302CS..Hα-helixtrans-67.5-22.5-175.570.6177000113.2I28 Y47 R51 L54 T85 L86 T91 R92 L93I28-I89 HydrophobicContact CD1-CD1 3.87Å; I28-I89 HydrophobicContact CD1-CG2 4.23Å; I28-I89 HydrophobicContact CG1-CD1 4.3Å; I28-I89 HydrophobicContact CG1-CG2 4.37Å; I28-I89 HydrophobicContact CG2-CG2 4.15Å; Y47-I89 HydrophobicContact CD1-CG2 4.26Å; R51-I89 HydrophobicContact CB-CD1 3.94Å; L54-I89 HydrophobicContact CD1-CD1 4.16Å; T85-I89 HydrophobicContact CG2-CG2 4.25Å; T85-I89 PolarHBondContact O-N 3.01Å; L86-I89 HydrophobicContact CD2-CD1 4.26Å; I89-T91 VanDerWaalsContact C-N 3.34Å; I89-R92 PolarHBondContact O-N 2.77Å; I89-L93 WeakPolarHBondContact O-CB 3.38Å; I89-L93 WeakPolarHBondContact O-CG 3.37Å; I89-L93 PolarHBondContact O-N 2.78Å
90T85.9Confident87.3Confident67 Ų6758.9 Ų58.941%0.41132%0.315SS..Hα-helixtrans-64.8-39.7176.7-64.40000111.3L86 N88 A94L86-T90 VanDerWaalsContact O-CB 3.31Å; L86-T90 WeakPolarHBondContact O-CB 3.25Å; L86-T90 PolarHBondContact O-N 2.8Å; L86-T90 VanDerWaalsContact O-N 3.09Å; L86-T90 PolarHBondContact O-OG1 2.67Å; N88-T90 PolarHBondContact O-N 3.18Å; T90-A94 PolarHBondContact O-N 2.88Å; T90-A94 VanDerWaalsContact O-N 3.11Å
91T85.4Confident85.4Confident93 Ų9362.4 Ų62.457%0.57134%0.336SS*.Hα-helixtrans-64.1-44.7173.2-55.30000111.2N88 I89 A94 M95N88-T91 PolarHBondContact O-N 2.66Å; I89-T91 VanDerWaalsContact C-N 3.34Å; T91-A94 PolarHBondContact O-N 3.16Å; T91-M95 WeakPolarHBondContact O-CG 3.49Å; T91-M95 PolarHBondContact O-N 3.23Å
92R87.6Confident83.6Confident90 Ų9065.1 Ų65.134%0.3435%0.354SS..Hα-helixtrans-66.7-39.9179.6-171.358178-176.51.9112.6D35 Y47 N88 I89 M95 L96D35-R92 VanDerWaalsContact CG-NH2 3.26Å; D35-R92 IonicContact OD1-CZ 2.98Å; D35-R92 IonicContact OD1-NE 2.64Å; D35-R92 IonicContact OD1-NH2 3.43Å; D35-R92 PolarHBondContact OD1-NH2 3.34Å; D35-R92 IonicContact OD2-CZ 3.35Å; D35-R92 IonicContact OD2-NE 2.68Å; D35-R92 PolarHBondContact OD2-NE 3.49Å; D35-R92 IonicContact OD2-NH2 3.54Å; D35-R92 PolarHBondContact OD2-NH2 3.13Å; Y47-R92 HydrophobicContact CE2-CG 3.98Å; N88-R92 PolarHBondContact O-N 3.37Å; I89-R92 PolarHBondContact O-N 2.77Å; R92-M95 PolarHBondContact O-N 3.3Å; R92-L96 HydrophobicContact CG-CD1 4.09Å; R92-L96 WeakPolarHBondContact O-CG 3.41Å; R92-L96 PolarHBondContact O-N 3.27Å
93L87.8Confident81.2Confident1 Ų171.7 Ų71.71%0.00539%0.385CS..Hα-helixtrans-58.2-47.4173.5-84167.3000111.7K48 I89 M95 L96 E97K48-L93 HydrophobicContact CG-CD2 3.86Å; I89-L93 WeakPolarHBondContact O-CB 3.38Å; I89-L93 WeakPolarHBondContact O-CG 3.37Å; I89-L93 PolarHBondContact O-N 2.78Å; L93-M95 VanDerWaalsContact C-N 3.3Å; L93-M95 PolarHBondContact O-N 2.79Å; L93-L96 PolarHBondContact O-N 2.81Å; L93-L96 VanDerWaalsContact O-N 3.17Å; L93-E97 WeakPolarHBondContact O-CB 3.44Å; L93-E97 WeakPolarHBondContact O-CG 3.27Å; L93-E97 PolarHBondContact O-N 3.38Å
94A87.4Confident78.7Confident48 Ų4871.6 Ų71.640%0.39739%0.393SS..Hα-helixtrans-60-39.3178.300000112.5T90 T91 T98T90-A94 PolarHBondContact O-N 2.88Å; T90-A94 VanDerWaalsContact O-N 3.11Å; T91-A94 PolarHBondContact O-N 3.16Å; A94-T98 WeakPolarHBondContact O-CB 3.34Å; A94-T98 PolarHBondContact O-N 2.9Å; A94-T98 VanDerWaalsContact O-N 3.08Å; A94-T98 PolarHBondContact O-OG1 2.95Å
95M86.4Confident76.1Confident111 Ų11170.3 Ų70.355%0.54740%0.399SS..Hα-helixtrans-63.9-46.1173.9-65.617873.800112.3T91 R92 L93 S99T91-M95 WeakPolarHBondContact O-CG 3.49Å; T91-M95 PolarHBondContact O-N 3.23Å; R92-M95 PolarHBondContact O-N 3.3Å; L93-M95 VanDerWaalsContact C-N 3.3Å; L93-M95 PolarHBondContact O-N 2.79Å; M95-S99 WeakPolarHBondContact O-CB 3.36Å; M95-S99 PolarHBondContact O-N 2.89Å
96L86.1Confident73.7Confident7 Ų774.6 Ų74.64%0.03743%0.428CS..Hα-helixtrans-67.3-44.9-178.5-71.3170.8000111.9K40 A43 L44 Y47 R92 L93 S99 S100K40-L96 HydrophobicContact CB-CD2 4Å; K40-L96 HydrophobicContact CG-CD2 4.11Å; A43-L96 HydrophobicContact CB-CD1 4.37Å; L44-L96 HydrophobicContact CB-CB 4.48Å; L44-L96 HydrophobicContact CD1-CB 4.25Å; Y47-L96 HydrophobicContact CD2-CD1 3.69Å; Y47-L96 HydrophobicContact CE2-CD1 3.59Å; R92-L96 HydrophobicContact CG-CD1 4.09Å; R92-L96 WeakPolarHBondContact O-CG 3.41Å; R92-L96 PolarHBondContact O-N 3.27Å; L93-L96 PolarHBondContact O-N 2.81Å; L93-L96 VanDerWaalsContact O-N 3.17Å; L96-S99 PolarHBondContact O-N 3.44Å; L96-S99 PolarHBondContact O-OG 2.89Å; L96-S100 PolarHBondContact O-N 3.09Å
97E85.3Confident71.1Confident66 Ų6680.9 Ų80.931%0.30847%0.467SS..Hα-helixtrans-59-49.9175.8-71.2179.4129.700110.7L44 K48 L93 S99 S100 D101L44-E97 HydrophobicContact CD1-CG 3.77Å; L44-E97 HydrophobicContact CG-CG 4.47Å; K48-E97 WeakPolarHBondContact CE-OE1 3.33Å; K48-E97 IonicContact NZ-OE1 3.56Å; K48-E97 PolarHBondContact NZ-OE1 3.41Å; L93-E97 WeakPolarHBondContact O-CB 3.44Å; L93-E97 WeakPolarHBondContact O-CG 3.27Å; L93-E97 PolarHBondContact O-N 3.38Å; E97-S99 VanDerWaalsContact C-N 3.26Å; E97-S99 PolarHBondContact O-N 3.15Å; E97-S100 WeakPolarHBondContact O-CB 3.39Å; E97-S100 PolarHBondContact O-N 3.39Å; E97-D101 PolarHBondContact O-N 3.08Å
98T82Confident68.7Low90 Ų9084.7 Ų84.755%0.55248%0.481SS*.Hα-helixtrans-60.3-34.6176.4-51.30000112.6A94A94-T98 WeakPolarHBondContact O-CB 3.34Å; A94-T98 PolarHBondContact O-N 2.9Å; A94-T98 VanDerWaalsContact O-N 3.08Å; A94-T98 PolarHBondContact O-OG1 2.95Å
99S70.6Confident66Low33 Ų3384.2 Ų84.223%0.23149%0.487CS..Hα-helixtrans-72.2-30.9176.678.60000113M95 L96 E97 E103M95-S99 WeakPolarHBondContact O-CB 3.36Å; M95-S99 PolarHBondContact O-N 2.89Å; L96-S99 PolarHBondContact O-N 3.44Å; L96-S99 PolarHBondContact O-OG 2.89Å; E97-S99 VanDerWaalsContact C-N 3.26Å; E97-S99 PolarHBondContact O-N 3.15Å; S99-E103 PolarHBondContact O-N 2.94Å
100S64.3Low63.2Low51 Ų5189.4 Ų89.436%0.35752%0.524SS..Hα-helixtrans-72-35.1-179.8-166.80000112.3L96 E97 L102 E103 S104L96-S100 PolarHBondContact O-N 3.09Å; E97-S100 WeakPolarHBondContact O-CB 3.39Å; E97-S100 PolarHBondContact O-N 3.39Å; S100-L102 VanDerWaalsContact C-N 3.31Å; S100-L102 PolarHBondContact O-N 2.9Å; S100-E103 PolarHBondContact O-N 2.83Å; S100-S104 WeakPolarHBondContact O-CB 3.48Å; S100-S104 PolarHBondContact O-N 2.73Å; S100-S104 PolarHBondContact O-OG 3.29Å
101D57.1Low60.6Low126 Ų12692 Ų9267%0.67455%0.545SS*.Hα-helixtrans-66.4-33.3177.4-74.3-24.5000112E97 S104E97-D101 PolarHBondContact O-N 3.08Å; D101-S104 PolarHBondContact O-N 2.99Å
102L55.7Low57.8Low147 Ų14791.3 Ų91.377%0.7756%0.556SS**Hα-helixtrans-71.6-29.1174.3-67.6172.2000113S100 S104S100-L102 VanDerWaalsContact C-N 3.31Å; S100-L102 PolarHBondContact O-N 2.9Å; L102-S104 VanDerWaalsContact C-N 3.35Å
103E47.3Very low55.1Low137 Ų13791.5 Ų91.564%0.6458%0.577SS**Hα-helixtrans-84-9.9177.8-122.1164.814700112.9K40 S99 S100K40-E103 IonicContact NZ-OE2 2.65Å; K40-E103 PolarHBondContact NZ-OE2 3.2Å; S99-E103 PolarHBondContact O-N 2.94Å; S100-E103 PolarHBondContact O-N 2.83Å
104S43.2Very low52.2Low78 Ų7899.9 Ų99.955%0.54562%0.615SS.*THydrogen-bonded Turntrans-94.45.8-173.8-61.50000115.1S100 D101 L102 P106S100-S104 WeakPolarHBondContact O-CB 3.48Å; S100-S104 PolarHBondContact O-N 2.73Å; S100-S104 PolarHBondContact O-OG 3.29Å; D101-S104 PolarHBondContact O-N 2.99Å; L102-S104 VanDerWaalsContact C-N 3.35Å; S104-P106 WeakPolarHBondContact O-CD 3.33Å
105A38.9Very low49.6Very low74 Ų74103.8 Ų103.861%0.61263%0.634SS**  trans-73.4116.2178.500000111.4T107A105-T107 PolarHBondContact O-N 3.44Å
106P39.7Very low47Very low114 Ų114104.1 Ų104.174%0.7465%0.647SS**  trans-77.9113.4-170.529.7-34.6000112.7S104 Q108S104-P106 WeakPolarHBondContact O-CD 3.33Å; P106-Q108 PolarHBondContact O-N 3.42Å
107T37.6Very low44.7Very low141 Ų141109.6 Ų109.687%0.86569%0.686SS**  trans-67.797.4170.5-52.70000110.8A105A105-T107 PolarHBondContact O-N 3.44Å
108Q35.1Very low42.2Very low183 Ų183110.2 Ų110.286%0.85571%0.71SS**  trans-111.4113166.5-71.6-163.34.100111.4P106P106-Q108 PolarHBondContact O-N 3.42Å
109S32Very low40Very low109 Ų109109.5 Ų109.576%0.76272%0.721SS**  trans-96117.117556.10000111.7
110S31.2Very low38.2Very low111 Ų111116.2 Ų116.278%0.77675%0.753SS**  trans-177.2135.8134.335.10000113.4
111S31Very low36.6Very low122 Ų122123.8 Ų123.885%0.85378%0.775SS**  trans41121.315353.50000120.8
112G27.8Very low35.6Very low78 Ų78123.5 Ų123.580%0.80478%0.78SS**  trans-168.3-31.917000000120.4
113A30.1Very low34.7Very low94 Ų94125.6 Ų125.678%0.77778%0.783SS**  trans64.4162.317600000119.3
114H28.4Very low34.4Very low177 Ų177127 Ų12782%0.81979%0.794SS**  trans64.399.7168.5-79.5-81.5000122.3
115V32.8Very low33.9Very low130 Ų130131.3 Ų131.379%0.78881%0.811SS**  38.8112.9121.9-174.40000118.9
116S30.3Very low33.7Very low118 Ų118134.3 Ų134.383%0.82582%0.822SS**  -169.1167.7103.8-158.10000112.4
117S39.1Very low33.5Very low123 Ų123138.8 Ų138.886%0.8683%0.83SS**  trans-102.3146.4-179.3-57.70000112.5
118G32.2Very low33.2Very low78 Ų78136.9 Ų136.980%0.80483%0.828SS**  trans141.7118.6166.900000112.5
119G36.4Very low33.2Very low75 Ų75135.4 Ų135.477%0.77382%0.819SS**  trans-82.6-179.5-177.300000113.9
120L31.3Very low33.1Very low175 Ų175136.1 Ų136.192%0.91682%0.821SS**  trans-169.4157.2147.6-105167.3000110.7
121Y31.4Very low33.2Very low209 Ų209138 Ų13882%0.8282%0.817SS**PPolyproline II helixtrans-68.7159.3172.5-95.7-113.4000112
122P36.5Very low32.9Very low120 Ų120143.7 Ų143.778%0.77982%0.82SS**PPolyproline II helixtrans-58.1137.7168-20.933000111.8
123K36.9Very low33Very low191 Ų191145.6 Ų145.683%0.8382%0.819SS**PPolyproline II helixtrans-78.7145.3171.9-71.9176.4177.2173.80110.6
124L40.3Very low33.3Very low167 Ų167145.6 Ų145.687%0.87482%0.819SS**  trans-110.1136.9159.4-67.8173.6000108.2
125D33.8Very low33.5Very low168 Ų168142.8 Ų142.890%0.89882%0.816SS**  trans-80.8139.2-177.1-83.1-66.2000113
126T34.5Very low33.5Very low137 Ų137142.7 Ų142.784%0.8482%0.818SS**  trans-108.3108.5-172.2-54.10000111.9
127K35.8Very low33.4Very low209 Ų209143.1 Ų143.191%0.90982%0.82SS**  trans-158.6157.2158.6-130.6173.4-176.6177.10115
128A30.9Very low33.1Very low100 Ų100145.8 Ų145.883%0.82682%0.824SS**  trans75.5103.4173.900000117.4
129K35.3Very low33Very low152 Ų152146.1 Ų146.166%0.66182%0.819SS**  trans-106.1131167.5172.6-160.9-176.6-161.80109.3E131K129-E131 WeakPolarHBondContact CE-OE1 3.31Å; K129-E131 WeakPolarHBondContact CE-OE2 3.28Å; K129-E131 IonicContact NZ-OE1 3.21Å; K129-E131 PolarHBondContact NZ-OE1 3.38Å; K129-E131 IonicContact NZ-OE2 2.73Å; K129-E131 PolarHBondContact NZ-OE2 3.29Å
130P29Very low32.7Very low124 Ų124149.6 Ų149.681%0.80583%0.825SS**  trans-100.8157.3151.534.8-27.9000111
131E33.1Very low32.4Very low150 Ų150144.9 Ų144.970%0.70182%0.819SS**  trans-136.9138.8-168.2-177.8154.6-134.300112K129K129-E131 WeakPolarHBondContact CE-OE1 3.31Å; K129-E131 WeakPolarHBondContact CE-OE2 3.28Å; K129-E131 IonicContact NZ-OE1 3.21Å; K129-E131 PolarHBondContact NZ-OE1 3.38Å; K129-E131 IonicContact NZ-OE2 2.73Å; K129-E131 PolarHBondContact NZ-OE2 3.29Å
132R24.3Very low32.3Very low242 Ų242139.7 Ų139.791%0.91382%0.819SS**  trans-154.5164.5175.1-105.8-160.2177.2172.72.1111.5
133P31.1Very low31.9Very low119 Ų119138.7 Ų138.777%0.77382%0.821SS**  -110.5172.2-115.940.9-36.8000115
134A35.7Very low31.5Very low94 Ų94141.3 Ų141.378%0.77783%0.826SS**PPolyproline II helixtrans-84.1147.5-177.600000114.5
135P32.3Very low30.9Very low117 Ų117136.7 Ų136.776%0.7682%0.818SS**PPolyproline II helixtrans-80.4165.5161.834.9-33.8000112
136P34.1Very low30.8Very low128 Ų128135.2 Ų135.283%0.83182%0.815SS**PPolyproline II helixtrans-82.5162.8-16732.9-37.1000115.6
137C28.3Very low30.4Very low128 Ų128133.3 Ų133.387%0.86581%0.813SS**PPolyproline II helixtrans-73.8152.4-177.7-52.50000114.4
138L31.1Very low30Very low179 Ų179127.1 Ų127.194%0.93780%0.801SS**PPolyproline II helixtrans-95.6151.2156.5-66.9172.2000109.7
139A30.6Very low30Very low85 Ų85127.3 Ų127.370%0.70280%0.796SS**  trans-137.7130.3-179.500000112.8
140T29.7Very low29.7Very low147 Ų147128.4 Ų128.490%0.90280%0.803SS**  trans39.2130.4148.556.80000120.1
141G26.1Very low30.2Very low77 Ų77128.5 Ų128.579%0.79480%0.802SS**  cis179-162.96.200000109.4
142A28.7Very low30.1Very low99 Ų99127 Ų12782%0.81881%0.805SS**  cis-1651633.400000112.3
143A28.6Very low30.4Very low100 Ų100121.3 Ų121.383%0.82680%0.797SS**  trans68.3158160.600000117.8
144R28.1Very low30.8Very low246 Ų246122 Ų12293%0.92880%0.799SS**  cis-158.51503.8-161.7171169.1173.7-5.9111.3
145G27.8Very low30.8Very low69 Ų69123 Ų12371%0.71180%0.798SS**  trans108.7109.517000000113.3
146V31Very low31.1Very low138 Ų138121.9 Ų121.984%0.83680%0.798SS**  cis108.4108.126174.20000111.9
147A26.9Very low31.3Very low96 Ų96125.2 Ų125.279%0.79380%0.802SS**  trans63.7143.2158.700000119.4
148A26.8Very low31.9Very low80 Ų80127.4 Ų127.466%0.66180%0.8SS**  cis-163.1162.3-1400000111.9
149S31.1Very low32.4Very low104 Ų104124 Ų12473%0.72779%0.788SS**  trans66.4167.6162350000119.3
150H28.5Very low33.3Very low175 Ų175126.1 Ų126.181%0.8180%0.795SS**  trans87.6125.5176.9-54.7-72.9000118.2
151T40.4Very low33.9Very low125 Ų125123.9 Ų123.977%0.76779%0.791SS**  trans-89.7127.8176.246.20000111.6
152P30.7Very low34.7Very low119 Ų119131.2 Ų131.277%0.77380%0.797SS**  trans-83.6126.7148.632.4-26.8000107.9
153V30.9Very low36.1Very low123 Ų123130.7 Ų130.775%0.74579%0.787SS**  cis57.7104.148.1-171.50000110.9P155V153-P155 WeakPolarHBondContact O-CD 3.23Å
154V39.6Very low37.1Very low133 Ų133132.4 Ų132.481%0.80679%0.79SS**PPolyproline II helixtrans-75.6122.7177.7178.20000109.4
155P36.3Very low38Very low116 Ų116128.5 Ų128.575%0.75378%0.782SS**PPolyproline II helixtrans-71.7123.9160.5-9.326.9000108.2V153V153-P155 WeakPolarHBondContact O-CD 3.23Å
156A38.1Very low38.8Very low92 Ų92129.3 Ų129.376%0.7678%0.782SS**PPolyproline II helixtrans-71.1137.2166.500000109.1Q158A156-Q158 PolarHBondContact O-N 3.08Å
157E38.3Very low39.3Very low199 Ų199127 Ų12793%0.9378%0.777SS**  trans-67.9104.4170.2-73.9-162.9118.500109.6
158Q41.6Very low40.3Very low174 Ų174130.6 Ų130.681%0.81378%0.784SS**PPolyproline II helixtrans-75140.1169.1-164.6169.78.500108.4A156A156-Q158 PolarHBondContact O-N 3.08Å
159P40.8Very low41.1Very low107 Ų107130 Ų13070%0.69578%0.784SS**PPolyproline II helixtrans-57.1150.217723.7-34.5000111.3A161P159-A161 PolarHBondContact O-N 3.02Å
160P49.5Very low41.3Very low129 Ų129133.2 Ų133.284%0.83879%0.788SS**PPolyproline II helixtrans-56.5135-169.321.3-33.4000112.4Y162P160-Y162 PolarHBondContact O-N 2.92Å
161A41.9Very low42Very low101 Ų101131.5 Ų131.584%0.83579%0.789SS**PPolyproline II helixtrans-64.8131.8-176.400000111.6P159 S163P159-A161 PolarHBondContact O-N 3.02Å; A161-S163 PolarHBondContact O-N 3.15Å
162Y42.9Very low41.7Very low231 Ų231130.5 Ų130.591%0.90679%0.787SS**  trans-71.4113.7-178.6-141.4-87.7000110.4P160P160-Y162 PolarHBondContact O-N 2.92Å
163S58.9Low42Very low88 Ų88132.6 Ų132.662%0.61579%0.79SS**  trans-80.9124.3175.351.60000110.6A161 Q165A161-S163 PolarHBondContact O-N 3.15Å; S163-Q165 PolarHBondContact O-N 2.93Å
164P50.1Low42.1Very low136 Ų136131.5 Ų131.588%0.88379%0.789SS**  trans-80.26.5-175.133.8-37.6000114.4
165Q45.1Very low41.7Very low163 Ų163137 Ų13776%0.76280%0.796SS**SBendtrans-91121.3177.5-163.874.721.800109S163 A167S163-Q165 PolarHBondContact O-N 2.93Å; Q165-A167 PolarHBondContact O-N 3.5Å
166A45.6Very low41.6Very low87 Ų87134.4 Ų134.472%0.71979%0.791SS**  trans-63.6133167.400000109.5D168A166-D168 PolarHBondContact O-N 3.08Å
167A41Very low41.5Very low89 Ų89133.9 Ų133.974%0.73678%0.778SS**  trans-79.8113.1171.500000109Q165 G169Q165-A167 PolarHBondContact O-N 3.5Å; A167-G169 PolarHBondContact O-N 3.24Å
168D48.5Very low41.6Very low172 Ų172132 Ų13292%0.9277%0.77SS**SBendtrans-59.6131.2169.7-94.2-54.5000110.4A166A166-D168 PolarHBondContact O-N 3.08Å
169G43.9Very low41.5Very low66 Ų66125.7 Ų125.768%0.6875%0.745SS**  trans90.553.7164.800000117.5A167A167-G169 PolarHBondContact O-N 3.24Å
170H34Very low42.2Very low172 Ų172123.8 Ų123.880%0.79675%0.745SS**  trans-90.8100.1141.6-91.4-72.6000109.5S172H170-S172 VanDerWaalsContact C-N 3.26Å; H170-S172 PolarHBondContact O-N 3.21Å
171V44.3Very low41.7Very low139 Ų139119.2 Ų119.284%0.84271%0.712SS**  trans-7388163.6-178.80000107.1I173V171-I173 PolarHBondContact O-N 3.33Å
172S34.3Very low41.3Very low104 Ų104118.1 Ų118.173%0.72769%0.691SS**PPolyproline II helixtrans-65.1118.6-179.9-69.60000110.5H170 S174H170-S172 VanDerWaalsContact C-N 3.26Å; H170-S172 PolarHBondContact O-N 3.21Å; S172-S174 PolarHBondContact O-N 3.05Å
173I35.9Very low41.1Very low163 Ų163110.5 Ų110.584%0.83667%0.671SS**PPolyproline II helixtrans-56.7123.6174.6-65.1162.8000108.5V171V171-I173 PolarHBondContact O-N 3.33Å
174S34Very low40.2Very low101 Ų101113.3 Ų113.371%0.70668%0.684SS**PPolyproline II helixtrans-67.9147.117248.10000110.6S172 G176S172-S174 PolarHBondContact O-N 3.05Å; S174-G176 PolarHBondContact O-N 2.87Å
175Y31.4Very low39.6Very low247 Ų247110.2 Ų110.297%0.96966%0.663SS**SBendtrans-73.376.7174.6-90.1-93.6000111.1
176G32.8Very low39.1Very low63 Ų63104.9 Ų104.965%0.64965%0.652SS**  trans-119.4114.6161.600000109.2S174S174-G176 PolarHBondContact O-N 2.87Å
177T37Very low38.7Very low80 Ų80105.5 Ų105.549%0.49164%0.643SS.*  trans-75.4141.9173.543.90000111Q80 S179Q80-T177 PolarHBondContact NE2-OG1 3.12Å; T177-S179 CarbonylContact O-C 3.59Å; T177-S179 PolarHBondContact O-N 3.45Å; T177-S179 PolarHBondContact OG1-O 2.88Å
178E41Very low38.8Very low161 Ų161108.4 Ų108.475%0.75265%0.646SS**SBendtrans-54.4-21.917457.1170.3-149.100113.6R63 G180R63-E178 IonicContact CZ-OE1 2.66Å; R63-E178 IonicContact NH1-OE1 3.11Å; R63-E178 PolarHBondContact NH1-OE1 3.43Å; R63-E178 VanDerWaalsContact NH1-OE1 3.08Å; R63-E178 IonicContact NH2-OE1 2.71Å; R63-E178 PolarHBondContact NH2-OE1 3.33Å; E178-G180 PolarHBondContact O-N 3.22Å
179S38.1Very low38.4Very low40 Ų40106.9 Ų106.928%0.2863%0.631SS.*  trans-86.888.9168.837.70000111.4Q80 T177Q80-S179 PolarHBondContact OE1-OG 3.06Å; T177-S179 CarbonylContact O-C 3.59Å; T177-S179 PolarHBondContact O-N 3.45Å; T177-S179 PolarHBondContact OG1-O 2.88Å
180G55.7Low38.3Very low68 Ų68108.5 Ų108.570%0.70162%0.618SS**  trans-76.5137.2163.700000111.5E178E178-G180 PolarHBondContact O-N 3.22Å
181E38.6Very low38.4Very low32 Ų32104.8 Ų104.815%0.1561%0.611CS.*  trans-156.3119.5158.4-154.5-150.1-156.100113.5E73 S74 R77E73-E181 HydrophobicContact CB-CG 3.99Å; S74-E181 WeakPolarHBondContact CA-OE1 3.42Å; S74-E181 WeakPolarHBondContact CA-OE2 3.38Å; S74-E181 WeakPolarHBondContact CB-OE1 3.43Å; S74-E181 PolarHBondContact N-OE1 3.38Å; R77-E181 HydrophobicContact CB-CB 4.27Å; R77-E181 IonicContact CZ-OE2 2.79Å; R77-E181 PolarHBondContact NE-O 3.33Å; R77-E181 IonicContact NE-OE2 2.68Å; R77-E181 PolarHBondContact NE-OE2 3.39Å; R77-E181 PolarHBondContact NH1-O 3.06Å; R77-E181 IonicContact NH2-OE2 2.72Å; R77-E181 PolarHBondContact NH2-OE2 2.85Å
182M35.2Very low38Very low78 Ų78108.8 Ų108.838%0.38461%0.611SS.*  trans35.3110.2149.7-75.650.1164.700120.1R77 D187R77-M182 VanDerWaalsContact CZ-O 3.31Å; R77-M182 PolarHBondContact NH1-O 3.18Å; R77-M182 PolarHBondContact NH2-O 3.13Å; R77-M182 VanDerWaalsContact NH2-O 3.15Å; M182-D187 VanDerWaalsContact CE-OD1 3.29Å; M182-D187 WeakPolarHBondContact CE-OD1 3.43Å
183S38.1Very low38Very low71 Ų71108.7 Ų108.750%0.49761%0.606SS.*  trans-55.6157.2139.7-174.80000110.7V185S183-V185 PolarHBondContact O-N 3.18Å
184V39.3Very low38Very low147 Ų147105.5 Ų105.589%0.89160%0.598SS**SBendtrans-83.256.7-176.2-166.20000111.1
185V37.5Very low37.8Very low72 Ų72106.5 Ų106.544%0.43660%0.6SS.*SBendtrans-140133176.4-172.90000107.5S183 F189 Y190S183-V185 PolarHBondContact O-N 3.18Å; V185-F189 HydrophobicContact CG1-CB 3.92Å; V185-F189 HydrophobicContact CG1-CD1 4.44Å; V185-F189 HydrophobicContact CG1-CG 4.11Å; V185-Y190 HydrophobicContact CB-CE2 4.29Å
186G35.9Very low37.7Very low51 Ų5199.1 Ų99.153%0.52659%0.585SS.*  trans-64.1155.3-170.500000115.1D188 F189G186-D188 PolarHBondContact O-N 3.26Å; G186-F189 WeakPolarHBondContact O-CB 3.29Å; G186-F189 PolarHBondContact O-N 3.4Å
187D36.5Very low38.1Very low99 Ų99102.1 Ų102.153%0.52960%0.596SS.*THydrogen-bonded Turntrans-53.3-29.6-172.5-70.1-73.4000115.3M182 F189 Y190 S191M182-D187 VanDerWaalsContact CE-OD1 3.29Å; M182-D187 WeakPolarHBondContact CE-OD1 3.43Å; D187-F189 PolarHBondContact O-N 3.29Å; D187-F189 VanDerWaalsContact O-N 3.08Å; D187-Y190 PolarHBondContact O-N 3.09Å; D187-S191 VanDerWaalsContact O-CB 3.31Å; D187-S191 WeakPolarHBondContact O-CB 3.47Å; D187-S191 PolarHBondContact O-N 3.07Å; D187-S191 PolarHBondContact O-OG 3.46Å
188D43.6Very low37.6Very low150 Ų150100.8 Ų100.880%0.80259%0.59SS**THydrogen-bonded Turntrans-57.6-21.3176.4-68.9-66.2000113.8G186G186-D188 PolarHBondContact O-N 3.26Å
189F40Very low36.9Very low140 Ų14097.3 Ų97.361%0.61458%0.583SS**THydrogen-bonded Turntrans-80.5-41177.8-166.4-98.7000113V185 G186 D187V185-F189 HydrophobicContact CG1-CB 3.92Å; V185-F189 HydrophobicContact CG1-CD1 4.44Å; V185-F189 HydrophobicContact CG1-CG 4.11Å; G186-F189 WeakPolarHBondContact O-CB 3.29Å; G186-F189 PolarHBondContact O-N 3.4Å; D187-F189 PolarHBondContact O-N 3.29Å; D187-F189 VanDerWaalsContact O-N 3.08Å
190Y40.3Very low36.8Very low101 Ų101102.2 Ų102.240%0.39661%0.614SS.*THydrogen-bonded Turntrans-92.4-20.1-175.9-67.6-78.4000113.7V185 D187 R192 T193 S194V185-Y190 HydrophobicContact CB-CE2 4.29Å; D187-Y190 PolarHBondContact O-N 3.09Å; Y190-R192 PolarHBondContact O-N 2.89Å; Y190-T193 PolarHBondContact O-N 2.88Å; Y190-T193 PolarHBondContact O-OG1 2.97Å; Y190-S194 PolarHBondContact O-OG 3.37Å
191S36Very low35.7Very low93 Ų93107.1 Ų107.165%0.6562%0.619SS**THydrogen-bonded Turntrans-64.3-7.3-179.9-63.70000114.9D187D187-S191 VanDerWaalsContact O-CB 3.31Å; D187-S191 WeakPolarHBondContact O-CB 3.47Å; D187-S191 PolarHBondContact O-N 3.07Å; D187-S191 PolarHBondContact O-OG 3.46Å
192R35.9Very low35.4Very low223 Ų223109 Ų10984%0.84264%0.635SS**THydrogen-bonded Turntrans-105.5-4.7178.1-154.5176.8-61.8161.67.2114.5Y190Y190-R192 PolarHBondContact O-N 2.89Å
193T35.9Very low35.8Very low103 Ų103109.7 Ų109.763%0.63264%0.644SS**THydrogen-bonded Turntrans-120.1-8.2-175.350.70000114.3Y190 T195Y190-T193 PolarHBondContact O-N 2.88Å; Y190-T193 PolarHBondContact O-OG1 2.97Å; T193-T195 PolarHBondContact O-N 2.78Å
194S35.2Very low35.8Very low95 Ų95108.9 Ų108.966%0.66465%0.647SS**  trans-99.473.9-171.9-590000113.3Y190Y190-S194 PolarHBondContact O-OG 3.37Å
195T30.1Very low36.3Very low122 Ų122110.9 Ų110.975%0.74865%0.646SS**  trans-133138.5164.1250000112T193T193-T195 PolarHBondContact O-N 2.78Å
196S30Very low37.2Very low92 Ų92110.6 Ų110.664%0.64364%0.642SS**  trans67.3124.7176.5710000117.8
197S39.5Very low38.9Very low127 Ų127109 Ų10989%0.88863%0.626SS**  trans-68.5124.4150.753.20000109.8
198S27.4Very low41.1Very low52 Ų52108.1 Ų108.136%0.36462%0.619SS.*  trans-130.3135.3171.7-64.70000106.4S202S198-S202 VanDerWaalsContact CB-CB 3.42Å; S198-S202 WeakPolarHBondContact OG-CB 3.45Å
199S27.1Very low43.2Very low88 Ų88105.4 Ų105.462%0.61560%0.601SS**SBend52.9146.765.290.90000112.8Q201S199-Q201 PolarHBondContact O-N 2.86Å
200P35.8Very low45.6Very low142 Ų142100.9 Ų100.992%0.92258%0.583SS**SBendtrans-67.322.7-178.9-21.935.3000116
201Q32.4Very low48.2Very low172 Ų17296.8 Ų96.880%0.80457%0.568SS**  trans-138.166.8179.9-65.5-172.5-57.400110.2S199S199-Q201 PolarHBondContact O-N 2.86Å
202S32.3Very low50.9Low70 Ų7098 Ų9849%0.4956%0.559SS.*  trans-147.969.9156.4-167.20000110.3S198 G204S198-S202 VanDerWaalsContact CB-CB 3.42Å; S198-S202 WeakPolarHBondContact OG-CB 3.45Å; S202-G204 PolarHBondContact O-N 3.44Å
203V41.8Very low53.7Low94 Ų9487.3 Ų87.357%0.5752%0.519SS*.  trans-66.7109.1139.4-83.80000106G207V203-G207 WeakPolarHBondContact CG1-O 3.2Å
204G39.4Very low56.2Low54 Ų5485.6 Ų85.656%0.55751%0.509SS*.  trans-55.9148164.800000109S202 D206S202-G204 PolarHBondContact O-N 3.44Å; G204-D206 PolarHBondContact O-N 2.91Å
205E49.3Very low58.8Low188 Ų18886.3 Ų86.388%0.87951%0.506SS*.THydrogen-bonded Turntrans-44.4131.6-169.7-71.4164.69800112.2
206D56.8Low61.6Low66 Ų6681.2 Ų81.235%0.35348%0.478SS..THydrogen-bonded Turntrans82.429.9179.7-48.2-29.9000119.3G204 F242 T243 S244G204-D206 PolarHBondContact O-N 2.91Å; D206-F242 CarbonylContact O-C 3.56Å; D206-F242 WeakPolarHBondContact O-CA 3.4Å; D206-F242 WeakPolarHBondContact O-CD1 3.43Å; D206-T243 VanDerWaalsContact C-OG1 3.3Å; D206-T243 WeakPolarHBondContact CA-OG1 3.49Å; D206-T243 PolarHBondContact O-N 2.71Å; D206-S244 VanDerWaalsContact CG-CB 3.48Å; D206-S244 WeakPolarHBondContact OD2-CB 3.49Å; D206-S244 PolarHBondContact OD2-OG 2.85Å
207G70.8Confident64.6Low17 Ų1776.9 Ų76.918%0.17545%0.447CS..EExtended strand (participates in β ladder)trans-124.8135.8173.200000115.5V203V203-G207 WeakPolarHBondContact CG1-O 3.2Å
208E84.1Confident67.2Low82 Ų8273.7 Ų73.738%0.38342%0.418SS..EExtended strand (participates in β ladder)trans-114.9116.9171.6174.3-179.4-138.200109.2L210 V240 K241 T243E208-L210 HydrophobicContact CG-CD2 3.8Å; E208-L210 PolarHBondContact O-N 2.84Å; E208-V240 WeakPolarHBondContact O-CA 3.32Å; E208-K241 PolarHBondContact N-O 2.99Å; E208-K241 PolarHBondContact O-N 3.5Å; E208-K241 IonicContact OE2-NZ 2.74Å; E208-K241 PolarHBondContact OE2-NZ 3.5Å; E208-T243 HydrophobicContact CB-CG2 3.55Å
209E87.6Confident70.3Confident93 Ų9372.1 Ų72.144%0.43541%0.405SS..EExtended strand (participates in β ladder)trans-82.6112.7173.9-172.2166.977.700109.8V240E209-V240 HydrophobicContact CB-CG2 4.3Å; E209-V240 HydrophobicContact CG-CG2 4.18Å
210L89.8Confident73.4Confident45 Ų4569.4 Ų69.424%0.23638%0.383CS..EExtended strand (participates in β ladder)trans-88.4-25.2-175.6-61.6176.2000112.8E208 L239 K241 L315 M319E208-L210 HydrophobicContact CG-CD2 3.8Å; E208-L210 PolarHBondContact O-N 2.84Å; L210-L239 PolarHBondContact N-O 3.01Å; L210-K241 HydrophobicContact CD1-CB 3.62Å; L210-K241 HydrophobicContact CD1-CD 4.08Å; L210-K241 HydrophobicContact CG-CB 4.05Å; L210-L315 HydrophobicContact CB-CD1 3.97Å; L210-L315 HydrophobicContact CB-CD2 4.46Å; L210-L315 HydrophobicContact CD1-CD2 4.38Å; L210-M319 HydrophobicContact CD1-CE 3.86Å; L210-M319 HydrophobicContact CD1-SD 3.99Å
211L93.9Very high76.1Confident15 Ų1566.6 Ų66.68%0.07936%0.356CS..EExtended strand (participates in β ladder)trans-158.7136176.2174.967000110.3I213 L237 R238 L239 L311 F312 L315L211-I213 HydrophobicContact CD1-CG1 4.04Å; L211-I213 HydrophobicContact CD2-CD1 4.07Å; L211-I213 HydrophobicContact CD2-CG1 4.25Å; L211-I213 HydrophobicContact CG-CD1 4.5Å; L211-I213 HydrophobicContact CG-CG1 4.12Å; L211-L237 HydrophobicContact CD2-CD2 4.13Å; L211-R238 CarbonylContact O-C 3.59Å; L211-R238 WeakPolarHBondContact O-CA 3.23Å; L211-L239 HydrophobicContact CB-CB 4.12Å; L211-L239 PolarHBondContact N-O 2.97Å; L211-L239 PolarHBondContact O-N 3.24Å; L211-L311 HydrophobicContact CD1-CD2 4.04Å; L211-L311 HydrophobicContact CD1-CG 4.47Å; L211-F312 HydrophobicContact CD2-CB 3.62Å; L211-F312 HydrophobicContact CD2-CD2 3.9Å; L211-F312 HydrophobicContact CD2-CG 4.23Å; L211-L315 HydrophobicContact CB-CD1 4.02Å
212Y94.2Very high78.8Confident117 Ų11759.6 Ų59.646%0.45933%0.325SS..EExtended strand (participates in β ladder)trans-128.5124.4165.9177.9-121.7000109.9P214 Y236 L237 R238Y212-P214 HydrophobicContact CE1-CB 3.77Å; Y212-Y236 HydrophobicContact CE2-CD2 4.08Å; Y212-Y236 HydrophobicContact CE2-CG 4.38Å; Y212-L237 WeakPolarHBondContact CD2-O 3.37Å; Y212-R238 HydrophobicContact CD2-CB 4.05Å
213I93.3Very high81.5Confident0 Ų057.8 Ų57.80%031%0.311CS..EExtended strand (participates in β ladder)trans-113.7111.8172-62.8178.2000106.5L211 N215 V217 Y236 L237 L300 L304 D308L211-I213 HydrophobicContact CD1-CG1 4.04Å; L211-I213 HydrophobicContact CD2-CD1 4.07Å; L211-I213 HydrophobicContact CD2-CG1 4.25Å; L211-I213 HydrophobicContact CG-CD1 4.5Å; L211-I213 HydrophobicContact CG-CG1 4.12Å; I213-N215 VanDerWaalsContact CG2-O 3.31Å; I213-N215 WeakPolarHBondContact CG2-O 3.29Å; I213-N215 PolarHBondContact O-N 3.23Å; I213-V217 HydrophobicContact CB-CG2 4.4Å; I213-V217 HydrophobicContact CG2-CG2 3.9Å; I213-Y236 CarbonylContact O-C 3.53Å; I213-Y236 VanDerWaalsContact O-CA 3.23Å; I213-Y236 WeakPolarHBondContact O-CA 3.26Å; I213-Y236 WeakPolarHBondContact O-CB 3.35Å; I213-L237 HydrophobicContact CB-CB 4.34Å; I213-L237 HydrophobicContact CD1-CD2 4.43Å; I213-L237 PolarHBondContact N-O 3.32Å; I213-L237 PolarHBondContact O-N 3.16Å; I213-L300 HydrophobicContact CD1-CD2 3.62Å; I213-L304 HydrophobicContact CD1-CD1 4.49Å; I213-L304 HydrophobicContact CG2-CD1 4.1Å; I213-L304 HydrophobicContact CG2-CD2 3.59Å; I213-D308 HydrophobicContact CD1-CB 4.29Å; I213-D308 HydrophobicContact CG1-CB 4.46Å
214P89.3Confident83.5Confident67 Ų6756.3 Ų56.344%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-74.2-26.3-168.726.8-34.8000114.5Y212 Y236Y212-P214 HydrophobicContact CE1-CB 3.77Å; P214-Y236 WeakPolarHBondContact O-CB 3.46Å
215N89.9Confident85.7Confident110 Ų11060 Ų6059%0.58831%0.306SS*.EExtended strand (participates in β ladder)trans-153.7164-178.5-76.1-68.2000110I213 G235 L304I213-N215 VanDerWaalsContact CG2-O 3.31Å; I213-N215 WeakPolarHBondContact CG2-O 3.29Å; I213-N215 PolarHBondContact O-N 3.23Å; N215-G235 CarbonylContact C-O 3.6Å; N215-G235 VanDerWaalsContact C-O 3.24Å; N215-G235 VanDerWaalsContact CA-O 3.28Å; N215-G235 WeakPolarHBondContact CA-O 3.26Å; N215-L304 WeakPolarHBondContact O-CD2 3.48Å
216G88.1Confident87.1Confident15 Ų1553.6 Ų53.616%0.15529%0.29CS..EExtended strand (participates in β ladder)trans92.114.6170.400000115.6G235 S301G216-G235 PolarHBondContact N-O 2.76Å; G216-G235 VanDerWaalsContact N-O 3.16Å; G216-S301 VanDerWaalsContact O-CB 3.26Å; G216-S301 WeakPolarHBondContact O-CB 3.27Å; G216-S301 PolarHBondContact O-N 3.42Å
217V93.9Very high88.1Confident0 Ų056.8 Ų56.80%030%0.303CS..EExtended strand (participates in β ladder)trans-109.9137.6169.7-172.30000110I213 P234 G235 L237 V260 V298 V299 L300 L304I213-V217 HydrophobicContact CB-CG2 4.4Å; I213-V217 HydrophobicContact CG2-CG2 3.9Å; V217-P234 WeakPolarHBondContact O-CA 3.48Å; V217-G235 PolarHBondContact N-O 3Å; V217-G235 VanDerWaalsContact N-O 3.07Å; V217-G235 PolarHBondContact O-N 3.38Å; V217-L237 HydrophobicContact CB-CB 4.16Å; V217-L237 HydrophobicContact CG1-CB 4.25Å; V217-L237 HydrophobicContact CG1-CD1 3.97Å; V217-L237 HydrophobicContact CG2-CB 3.74Å; V217-L237 HydrophobicContact CG2-CD1 4.24Å; V217-V260 HydrophobicContact CB-CG1 4.22Å; V217-V260 HydrophobicContact CG1-CG1 3.64Å; V217-V298 HydrophobicContact CG1-CG1 3.68Å; V217-V299 WeakPolarHBondContact CA-O 3.29Å; V217-V299 WeakPolarHBondContact CG1-O 3.38Å; V217-L300 HydrophobicContact CG2-CD2 3.99Å; V217-L300 HydrophobicContact CG2-CG 4.45Å; V217-L304 HydrophobicContact CG2-CD1 4.39Å
218Q93.4Very high88.9Confident61 Ų6160.4 Ų60.429%0.28532%0.322SS..EExtended strand (participates in β ladder)trans-125154.2177.5-64.8177.4-89.900110.6S232 P234 V299Q218-S232 WeakPolarHBondContact CA-OG 3.35Å; Q218-S232 PolarHBondContact NE2-O 2.91Å; Q218-P234 HydrophobicContact CG-CB 4.08Å; Q218-P234 HydrophobicContact CG-CG 3.91Å; Q218-V299 HydrophobicContact CB-CB 4.49Å; Q218-V299 PolarHBondContact N-O 2.78Å; Q218-V299 PolarHBondContact O-N 3.38Å
219I93.9Very high89Confident18 Ų1858.8 Ų58.89%0.09232%0.319CS..EExtended strand (participates in β ladder)trans-123.1152170.766175.6000111.7F221 P231 S232 V260 W263 V296 G297 V298I219-F221 HydrophobicContact CD1-CE2 4.08Å; I219-F221 HydrophobicContact CD1-CZ 4.02Å; I219-F221 HydrophobicContact CG1-CE2 4.45Å; I219-P231 CarbonylContact O-C 3.56Å; I219-P231 WeakPolarHBondContact O-CA 2.94Å; I219-S232 PolarHBondContact N-OG 2.92Å; I219-S232 PolarHBondContact O-N 2.78Å; I219-V260 HydrophobicContact CG2-CB 3.95Å; I219-V260 HydrophobicContact CG2-CG1 3.66Å; I219-V260 HydrophobicContact CG2-CG2 4.5Å; I219-W263 HydrophobicContact CD1-CB 3.75Å; I219-W263 HydrophobicContact CD1-CG 4.26Å; I219-V296 HydrophobicContact CB-CG1 4.01Å; I219-V296 HydrophobicContact CG2-CG1 4.34Å; I219-G297 CarbonylContact C-O 3.55Å; I219-G297 VanDerWaalsContact CA-O 3.29Å; I219-G297 WeakPolarHBondContact CA-O 3.41Å; I219-V298 HydrophobicContact CG2-CG2 4.12Å
220F92.1Very high88.9Confident32 Ų3258.4 Ų58.414%0.1433%0.332CS..EExtended strand (participates in β ladder)trans-137.8155.9165.864.3-96.3000110.3V222 V228 V281 M283 V296 G297 V299F220-V222 HydrophobicContact CD2-CG2 3.83Å; F220-V222 HydrophobicContact CE2-CG2 3.58Å; F220-V228 HydrophobicContact CD2-CG1 3.55Å; F220-V228 HydrophobicContact CE2-CG1 3.94Å; F220-V228 HydrophobicContact CG-CG1 4.28Å; F220-V281 HydrophobicContact CE1-CG1 3.81Å; F220-V281 HydrophobicContact CZ-CG1 3.87Å; F220-M283 HydrophobicContact CE2-CE 4.11Å; F220-M283 HydrophobicContact CE2-SD 4.21Å; F220-M283 HydrophobicContact CZ-CE 4.43Å; F220-M283 HydrophobicContact CZ-SD 3.92Å; F220-V296 CarbonylContact O-C 3.29Å; F220-V296 WeakPolarHBondContact O-CA 3.46Å; F220-G297 WeakPolarHBondContact CD1-O 3.01Å; F220-G297 PolarHBondContact N-O 2.61Å; F220-G297 PolarHBondContact O-N 3.04Å; F220-V299 HydrophobicContact CD1-CG2 3.95Å; F220-V299 HydrophobicContact CE1-CG2 3.71Å
221F91.7Very high88.8Confident83 Ų8360.1 Ų60.136%0.36435%0.346SS..EExtended strand (participates in β ladder)trans-104.8147.5-179.9-62.5-95.5000110.5I219 V228 S229 Y295 V296I219-F221 HydrophobicContact CD1-CE2 4.08Å; I219-F221 HydrophobicContact CD1-CZ 4.02Å; I219-F221 HydrophobicContact CG1-CE2 4.45Å; F221-V228 CarbonylContact O-C 3.55Å; F221-V228 WeakPolarHBondContact O-CA 3.35Å; F221-S229 PolarHBondContact N-OG 3.08Å; F221-S229 PolarHBondContact O-N 2.93Å; F221-Y295 CarbonylContact C-O 3.48Å; F221-Y295 WeakPolarHBondContact CA-O 3.43Å; F221-V296 HydrophobicContact CD1-CG2 3.73Å; F221-V296 HydrophobicContact CE1-CG2 3.68Å
222V89.7Confident88.4Confident24 Ų2461.3 Ų61.315%0.14536%0.356CS..EExtended strand (participates in β ladder)trans-127.6131177.2-172.50000109.2F220 Q227 V228 M283 Y294 Y295F220-V222 HydrophobicContact CD2-CG2 3.83Å; F220-V222 HydrophobicContact CE2-CG2 3.58Å; V222-Q227 CarbonylContact C-O 3.59Å; V222-Q227 VanDerWaalsContact CA-O 3.26Å; V222-Q227 WeakPolarHBondContact CA-O 3.29Å; V222-V228 HydrophobicContact CG1-CG2 4.43Å; V222-V228 HydrophobicContact CG2-CG1 4.47Å; V222-V228 HydrophobicContact CG2-CG2 4.31Å; V222-M283 HydrophobicContact CG2-CE 3.79Å; V222-Y294 VanDerWaalsContact O-CA 3.3Å; V222-Y294 WeakPolarHBondContact O-CA 3.39Å; V222-Y295 PolarHBondContact N-O 3.11Å; V222-Y295 PolarHBondContact O-N 2.74Å
223T88.4Confident88.1Confident33 Ų3365.9 Ų65.920%0.20237%0.374CS..  trans-90.7163.4178.182.20000111.8E225 G226 Q227 Y294T223-E225 WeakPolarHBondContact CB-OE2 3.5Å; T223-E225 PolarHBondContact O-N 3.43Å; T223-E225 VanDerWaalsContact O-N 3.16Å; T223-E225 PolarHBondContact OG1-N 3.4Å; T223-E225 PolarHBondContact OG1-OE2 3.39Å; T223-G226 PolarHBondContact O-N 2.92Å; T223-Q227 HydrophobicContact CG2-CB 4.13Å; T223-Q227 PolarHBondContact N-O 2.85Å; T223-Q227 PolarHBondContact OG1-N 3.46Å; T223-Y294 HydrophobicContact CG2-CD1 4.44Å; T223-Y294 HydrophobicContact CG2-CE1 3.98Å
224P84Confident88Confident63 Ų6369.4 Ų69.441%0.40940%0.396SS..THydrogen-bonded Turntrans-58.7-25.6176.1-23.433.7000113.7G226 Y294P224-G226 PolarHBondContact O-N 2.87Å; P224-Y294 VanDerWaalsContact CD-CD2 3.47Å; P224-Y294 VanDerWaalsContact CD-CZ 3.49Å; P224-Y294 HydrophobicContact CG-CD2 3.55Å; P224-Y294 HydrophobicContact CG-CE2 3.46Å; P224-Y294 VanDerWaalsContact CG-CE2 3.46Å; P224-Y294 HydrophobicContact CG-CG 4.31Å
225E84.5Confident88Confident131 Ų13166.6 Ų66.661%0.61238%0.38SS*.THydrogen-bonded Turntrans-80.21.3175.9-51.270.8-150.200112.8T223 Q227T223-E225 WeakPolarHBondContact CB-OE2 3.5Å; T223-E225 PolarHBondContact O-N 3.43Å; T223-E225 VanDerWaalsContact O-N 3.16Å; T223-E225 PolarHBondContact OG1-N 3.4Å; T223-E225 PolarHBondContact OG1-OE2 3.39Å; E225-Q227 HydrophobicContact CB-CG 4.5Å
226G80.3Confident88.2Confident53 Ų5364.6 Ų64.655%0.54637%0.365SS..  trans78.313.2-179.700000114.7T223 P224T223-G226 PolarHBondContact O-N 2.92Å; P224-G226 PolarHBondContact O-N 2.87Å
227Q77.9Confident88.5Confident134 Ų13463.9 Ų63.963%0.62636%0.357SS*.  trans-75143.1173.7-57.3-171.615.700110.1V222 T223 E225V222-Q227 CarbonylContact C-O 3.59Å; V222-Q227 VanDerWaalsContact CA-O 3.26Å; V222-Q227 WeakPolarHBondContact CA-O 3.29Å; T223-Q227 HydrophobicContact CG2-CB 4.13Å; T223-Q227 PolarHBondContact N-O 2.85Å; T223-Q227 PolarHBondContact OG1-N 3.46Å; E225-Q227 HydrophobicContact CB-CG 4.5Å
228V87.5Confident88.5Confident93 Ų9368.1 Ų68.156%0.56437%0.373SS*.BIsolated β-bridgetrans-122.8132.5-174.6-173.40000109.9F220 F221 V222F220-V228 HydrophobicContact CD2-CG1 3.55Å; F220-V228 HydrophobicContact CE2-CG1 3.94Å; F220-V228 HydrophobicContact CG-CG1 4.28Å; F221-V228 CarbonylContact O-C 3.55Å; F221-V228 WeakPolarHBondContact O-CA 3.35Å; V222-V228 HydrophobicContact CG1-CG2 4.43Å; V222-V228 HydrophobicContact CG2-CG1 4.47Å; V222-V228 HydrophobicContact CG2-CG2 4.31Å
229S85.8Confident88.4Confident47 Ų4765.2 Ų65.233%0.32936%0.359SS..PPolyproline II helixtrans-71.6163.4177.281.10000112.3F221F221-S229 PolarHBondContact N-OG 3.08Å; F221-S229 PolarHBondContact O-N 2.93Å
230A85.8Confident88.1Confident86 Ų8664.8 Ų64.871%0.71136%0.358SS*.PPolyproline II helixtrans-58.5142.4157.800000109.6
231P87.4Confident87.8Confident80 Ų8067.2 Ų67.252%0.51937%0.368SS..PPolyproline II helixtrans-63.4150.3171.2-22.934.3000112.3I219I219-P231 CarbonylContact O-C 3.56Å; I219-P231 WeakPolarHBondContact O-CA 2.94Å
232S84.6Confident87.2Confident41 Ų4165.7 Ų65.729%0.28736%0.362SS..PPolyproline II helixtrans-60.5163.817073.80000111.6Q218 I219Q218-S232 WeakPolarHBondContact CA-OG 3.35Å; Q218-S232 PolarHBondContact NE2-O 2.91Å; I219-S232 PolarHBondContact N-OG 2.92Å; I219-S232 PolarHBondContact O-N 2.78Å
233Y89.4Confident86.2Confident213 Ų21368.4 Ų68.484%0.83538%0.378SS*.PPolyproline II helixtrans-59.3148.8159.7-69.4-76.6000110.1G235Y233-G235 PolarHBondContact O-N 3.4Å
234P91Very high85Confident73 Ų7369.3 Ų69.347%0.47439%0.386SS..SBendtrans-62.1131.8173.5-2031.6000111V217 Q218V217-P234 WeakPolarHBondContact O-CA 3.48Å; Q218-P234 HydrophobicContact CG-CB 4.08Å; Q218-P234 HydrophobicContact CG-CG 3.91Å
235G89.7Confident83.7Confident9 Ų973.2 Ų73.29%0.09340%0.403CS..EExtended strand (participates in β ladder)trans-149-156.2178.700000112N215 G216 V217 Y233N215-G235 CarbonylContact C-O 3.6Å; N215-G235 VanDerWaalsContact C-O 3.24Å; N215-G235 VanDerWaalsContact CA-O 3.28Å; N215-G235 WeakPolarHBondContact CA-O 3.26Å; G216-G235 PolarHBondContact N-O 2.76Å; G216-G235 VanDerWaalsContact N-O 3.16Å; V217-G235 PolarHBondContact N-O 3Å; V217-G235 VanDerWaalsContact N-O 3.07Å; V217-G235 PolarHBondContact O-N 3.38Å; Y233-G235 PolarHBondContact O-N 3.4Å
236Y92.9Very high82.3Confident68 Ų6872 Ų7227%0.26741%0.407SS..EExtended strand (participates in β ladder)trans-90.8156-171.876.1-90.4000113.5Y212 I213 P214 R238 Q259 V260 C261Y212-Y236 HydrophobicContact CE2-CD2 4.08Å; Y212-Y236 HydrophobicContact CE2-CG 4.38Å; I213-Y236 CarbonylContact O-C 3.53Å; I213-Y236 VanDerWaalsContact O-CA 3.23Å; I213-Y236 WeakPolarHBondContact O-CA 3.26Å; I213-Y236 WeakPolarHBondContact O-CB 3.35Å; P214-Y236 WeakPolarHBondContact O-CB 3.46Å; Y236-R238 HydrophobicContact CE2-CG 4.46Å; Y236-Q259 PolarHBondContact OH-NE2 2.9Å; Y236-Q259 VanDerWaalsContact OH-NE2 3.13Å; Y236-V260 WeakPolarHBondContact O-CA 3.3Å; Y236-C261 HydrophobicContact CE1-CB 4.44Å; Y236-C261 PolarHBondContact O-N 2.89Å; Y236-C261 PolarHBondContact OH-O 3.09Å
237L95.4Very high80.7Confident0 Ų072.7 Ų72.70%040%0.404CS..EExtended strand (participates in β ladder)trans-129137.4168.4174.9156.5000108.9L211 Y212 I213 V217 L258 Q259 V260 V298 F312L211-L237 HydrophobicContact CD2-CD2 4.13Å; Y212-L237 WeakPolarHBondContact CD2-O 3.37Å; I213-L237 HydrophobicContact CB-CB 4.34Å; I213-L237 HydrophobicContact CD1-CD2 4.43Å; I213-L237 PolarHBondContact N-O 3.32Å; I213-L237 PolarHBondContact O-N 3.16Å; V217-L237 HydrophobicContact CB-CB 4.16Å; V217-L237 HydrophobicContact CG1-CB 4.25Å; V217-L237 HydrophobicContact CG1-CD1 3.97Å; V217-L237 HydrophobicContact CG2-CB 3.74Å; V217-L237 HydrophobicContact CG2-CD1 4.24Å; L237-L258 HydrophobicContact CD1-CD1 3.9Å; L237-L258 HydrophobicContact CD2-CD1 4.04Å; L237-L258 HydrophobicContact CG-CD1 3.75Å; L237-Q259 CarbonylContact C-O 3.5Å; L237-Q259 VanDerWaalsContact CA-O 3.32Å; L237-Q259 WeakPolarHBondContact CA-O 3.5Å; L237-V260 HydrophobicContact CB-CG2 4.35Å; L237-V260 HydrophobicContact CD1-CG2 3.9Å; L237-V260 HydrophobicContact CG-CG2 4.06Å; L237-V298 HydrophobicContact CD1-CG1 4.38Å; L237-F312 HydrophobicContact CD1-CD2 4.14Å; L237-F312 HydrophobicContact CD1-CE2 3.64Å; L237-F312 HydrophobicContact CD1-CZ 3.89Å; L237-F312 HydrophobicContact CD2-CD2 4Å; L237-F312 HydrophobicContact CD2-CE2 4.04Å; L237-F312 HydrophobicContact CG-CE2 4.42Å
238R92.8Very high79.5Confident88 Ų8874.3 Ų74.333%0.33242%0.417SS..EExtended strand (participates in β ladder)trans-132.5147.4167.766.4178.4177.1179.2-0.8111.7L211 Y212 Y236 V240 Q259L211-R238 CarbonylContact O-C 3.59Å; L211-R238 WeakPolarHBondContact O-CA 3.23Å; Y212-R238 HydrophobicContact CD2-CB 4.05Å; Y236-R238 HydrophobicContact CE2-CG 4.46Å; R238-V240 HydrophobicContact CG-CG2 4.46Å; R238-Q259 HydrophobicContact CG-CB 3.91Å; R238-Q259 VanDerWaalsContact CZ-OE1 3.24Å; R238-Q259 PolarHBondContact N-O 3.34Å; R238-Q259 PolarHBondContact O-N 3Å
239L92Very high77.7Confident0 Ų081.1 Ų81.10%043%0.432CS..EExtended strand (participates in β ladder)trans-129.4110.7-178.7-174.360000108.3L210 L211 L258 L267 L315 M319L210-L239 PolarHBondContact N-O 3.01Å; L211-L239 HydrophobicContact CB-CB 4.12Å; L211-L239 PolarHBondContact N-O 2.97Å; L211-L239 PolarHBondContact O-N 3.24Å; L239-L258 HydrophobicContact CD1-CB 4.13Å; L239-L258 HydrophobicContact CD1-CD1 4.37Å; L239-L267 HydrophobicContact CD1-CD1 3.38Å; L239-L315 HydrophobicContact CD2-CB 3.53Å; L239-L315 HydrophobicContact CD2-CD1 3.87Å; L239-L315 HydrophobicContact CD2-CG 4.34Å; L239-M319 HydrophobicContact CD1-CE 3.86Å; L239-M319 HydrophobicContact CD2-CE 3.79Å; L239-M319 HydrophobicContact CG-CE 3.86Å
240V87.5Confident75.9Confident10 Ų1084.1 Ų84.16%0.06144%0.442CS..EExtended strand (participates in β ladder)trans-123.9131.6-170.7-1790000109.4E208 E209 R238 A256 F257E208-V240 WeakPolarHBondContact O-CA 3.32Å; E209-V240 HydrophobicContact CB-CG2 4.3Å; E209-V240 HydrophobicContact CG-CG2 4.18Å; R238-V240 HydrophobicContact CG-CG2 4.46Å; V240-A256 CarbonylContact O-C 3.55Å; V240-A256 VanDerWaalsContact O-CA 3.25Å; V240-A256 WeakPolarHBondContact O-CA 3.32Å; V240-A256 WeakPolarHBondContact O-CB 3.36Å; V240-F257 HydrophobicContact CB-CD1 4.15Å; V240-F257 HydrophobicContact CB-CD2 4.42Å; V240-F257 HydrophobicContact CB-CE1 3.6Å; V240-F257 HydrophobicContact CB-CE2 3.91Å; V240-F257 HydrophobicContact CB-CZ 3.48Å; V240-F257 VanDerWaalsContact CB-CZ 3.48Å; V240-F257 HydrophobicContact CG1-CE1 3.68Å; V240-F257 HydrophobicContact CG1-CZ 3.8Å; V240-F257 HydrophobicContact CG2-CE1 4.44Å; V240-F257 HydrophobicContact CG2-CE2 4.01Å; V240-F257 HydrophobicContact CG2-CZ 3.82Å; V240-F257 PolarHBondContact N-O 3.48Å; V240-F257 PolarHBondContact O-N 2.89Å
241K85.1Confident74.3Confident82 Ų8285.8 Ų85.836%0.35745%0.446SS..EExtended strand (participates in β ladder)trans-108.6141.7175.9168178.8152.6-118.90108.8E208 L210 A256E208-K241 PolarHBondContact N-O 2.99Å; E208-K241 PolarHBondContact O-N 3.5Å; E208-K241 IonicContact OE2-NZ 2.74Å; E208-K241 PolarHBondContact OE2-NZ 3.5Å; L210-K241 HydrophobicContact CD1-CB 3.62Å; L210-K241 HydrophobicContact CD1-CD 4.08Å; L210-K241 HydrophobicContact CG-CB 4.05Å; K241-A256 HydrophobicContact CB-CB 4.11Å
242F79.4Confident72.9Confident52 Ų5286 Ų8623%0.22845%0.45CS..EExtended strand (participates in β ladder)trans-83.8141.7175.2-60.4-63.5000111.1D206 R253 P254 P255 F257D206-F242 CarbonylContact O-C 3.56Å; D206-F242 WeakPolarHBondContact O-CA 3.4Å; D206-F242 WeakPolarHBondContact O-CD1 3.43Å; F242-R253 HydrophobicContact CD2-CG 4.44Å; F242-R253 HydrophobicContact CE2-CG 4.49Å; F242-P254 WeakPolarHBondContact CD2-O 3.38Å; F242-P254 WeakPolarHBondContact CE2-O 3.49Å; F242-P255 PolarHBondContact N-O 2.78Å; F242-F257 HydrophobicContact CE1-CD1 4.18Å; F242-F257 AromaticContact CE1-CE1 3.72Å; F242-F257 HydrophobicContact CE1-CE1 3.72Å; F242-F257 AromaticContact CE2-CD1 3.88Å; F242-F257 HydrophobicContact CE2-CD1 3.88Å; F242-F257 HydrophobicContact CE2-CE1 4.27Å; F242-F257 AromaticContact CZ-CD1 3.52Å; F242-F257 HydrophobicContact CZ-CD1 3.52Å; F242-F257 AromaticContact CZ-CE1 3.49Å; F242-F257 HydrophobicContact CZ-CE1 3.49Å; F242-F257 VanDerWaalsContact CZ-CE1 3.49Å
243T69.5Low72Confident81 Ų8189 Ų8950%0.49745%0.454SS..  trans-103.6-10.1-177.859.10000113.6D206 E208D206-T243 VanDerWaalsContact C-OG1 3.3Å; D206-T243 WeakPolarHBondContact CA-OG1 3.49Å; D206-T243 PolarHBondContact O-N 2.71Å; E208-T243 HydrophobicContact CB-CG2 3.55Å
244S62.2Low71.2Confident52 Ų5280.4 Ų80.436%0.36443%0.425SS..SBendtrans-69.4137.7169.5-124.80000110.1D206D206-S244 VanDerWaalsContact CG-CB 3.48Å; D206-S244 WeakPolarHBondContact OD2-CB 3.49Å; D206-S244 PolarHBondContact OD2-OG 2.85Å
245D57Low70.5Confident144 Ų14479.7 Ų79.777%0.7742%0.42SS*.  trans-57150.4162.8-95.9-47.6000110.7S247D245-S247 VanDerWaalsContact C-N 3.3Å; D245-S247 PolarHBondContact O-N 2.84Å
246P54.9Low70.3Confident105 Ų10579.3 Ų79.368%0.68242%0.416SS*.  trans-69.685.8177.530-35000110.4
247S47.9Very low70.1Confident69 Ų6977.8 Ų77.848%0.48341%0.411SS..  trans-57140.9178.175.70000111.1D245 R249 M250D245-S247 VanDerWaalsContact C-N 3.3Å; D245-S247 PolarHBondContact O-N 2.84Å; S247-R249 PolarHBondContact O-N 3.47Å; S247-M250 PolarHBondContact O-N 3.42Å
248D51Low69.9Low168 Ų16877.8 Ų77.890%0.89841%0.411SS*.THydrogen-bonded Turntrans-51.1-16.4178.8-77.6-45.5000114.6M250D248-M250 VanDerWaalsContact C-N 3.34Å
249R50Low69.9Low235 Ų23574.9 Ų74.989%0.88740%0.401SS*.THydrogen-bonded Turntrans-74-17.5177.9-65-178.4173.6-178.8-2.2114.1S247S247-R249 PolarHBondContact O-N 3.47Å
250M48Very low70Confident111 Ų11175 Ų7555%0.54740%0.402SS..  trans-154.370.2-177.6-159.8168.5-17300113.4S247 D248 S252 R253S247-M250 PolarHBondContact O-N 3.42Å; D248-M250 VanDerWaalsContact C-N 3.34Å; M250-S252 PolarHBondContact O-N 2.59Å; M250-R253 PolarHBondContact O-N 3.39Å
251P53.5Low70Confident120 Ų12076 Ų7678%0.77941%0.409SS*.THydrogen-bonded Turntrans-692.3-174.629.4-37.3000115.5
252S56.6Low70Confident86 Ų8679.5 Ų79.560%0.60143%0.432SS*.THydrogen-bonded Turntrans-112.98.6-178.255.60000114.4M250M250-S252 PolarHBondContact O-N 2.59Å
253R65.6Low70.5Confident103 Ų10378 Ų7839%0.38943%0.425SS..  trans-66.7128.5175.3-174.6-178.8-177.6171.33.4110F242 M250F242-R253 HydrophobicContact CD2-CG 4.44Å; F242-R253 HydrophobicContact CE2-CG 4.49Å; M250-R253 PolarHBondContact O-N 3.39Å
254P72.4Confident71.4Confident33 Ų3378.7 Ų78.721%0.21443%0.425CS..  trans-65.113917327.5-34.4000110.1F242 A256 P266 M268F242-P254 WeakPolarHBondContact CD2-O 3.38Å; F242-P254 WeakPolarHBondContact CE2-O 3.49Å; P254-A256 VanDerWaalsContact C-N 3.3Å; P254-A256 PolarHBondContact O-N 2.84Å; P254-P266 HydrophobicContact CB-CB 3.8Å; P254-P266 HydrophobicContact CG-CB 3.85Å; P254-M268 HydrophobicContact CB-SD 3.63Å
255P77.1Confident72.6Confident57 Ų5776.5 Ų76.537%0.3741%0.408SS..SBendtrans-69-24-179.725.2-34.1000113.9F242 L267 S269F242-P255 PolarHBondContact N-O 2.78Å; P255-L267 VanDerWaalsContact CD-O 3.23Å; P255-L267 WeakPolarHBondContact CD-O 3.4Å; P255-L267 WeakPolarHBondContact CG-O 3.44Å; P255-S269 WeakPolarHBondContact CG-OG 3.47Å
256A85.4Confident74Confident2 Ų271.2 Ų71.22%0.01738%0.382CS..EExtended strand (participates in β ladder)trans-147.3167.6174.800000111.7V240 K241 P254 L267 M319V240-A256 CarbonylContact O-C 3.55Å; V240-A256 VanDerWaalsContact O-CA 3.25Å; V240-A256 WeakPolarHBondContact O-CA 3.32Å; V240-A256 WeakPolarHBondContact O-CB 3.36Å; K241-A256 HydrophobicContact CB-CB 4.11Å; P254-A256 VanDerWaalsContact C-N 3.3Å; P254-A256 PolarHBondContact O-N 2.84Å; A256-L267 HydrophobicContact CB-CB 4.11Å; A256-L267 HydrophobicContact CB-CD1 3.98Å; A256-L267 WeakPolarHBondContact O-CB 3.38Å; A256-L267 PolarHBondContact O-N 3.01Å; A256-M319 HydrophobicContact CB-CE 4.45Å; A256-M319 HydrophobicContact CB-SD 3.68Å
257F88.8Confident75.3Confident36 Ų3666.3 Ų66.316%0.15835%0.35CS..EExtended strand (participates in β ladder)trans-138.5142171.264.4-90000111.8V240 F242 Q259 L264V240-F257 HydrophobicContact CB-CD1 4.15Å; V240-F257 HydrophobicContact CB-CD2 4.42Å; V240-F257 HydrophobicContact CB-CE1 3.6Å; V240-F257 HydrophobicContact CB-CE2 3.91Å; V240-F257 HydrophobicContact CB-CZ 3.48Å; V240-F257 VanDerWaalsContact CB-CZ 3.48Å; V240-F257 HydrophobicContact CG1-CE1 3.68Å; V240-F257 HydrophobicContact CG1-CZ 3.8Å; V240-F257 HydrophobicContact CG2-CE1 4.44Å; V240-F257 HydrophobicContact CG2-CE2 4.01Å; V240-F257 HydrophobicContact CG2-CZ 3.82Å; V240-F257 PolarHBondContact N-O 3.48Å; V240-F257 PolarHBondContact O-N 2.89Å; F242-F257 HydrophobicContact CE1-CD1 4.18Å; F242-F257 AromaticContact CE1-CE1 3.72Å; F242-F257 HydrophobicContact CE1-CE1 3.72Å; F242-F257 AromaticContact CE2-CD1 3.88Å; F242-F257 HydrophobicContact CE2-CD1 3.88Å; F242-F257 HydrophobicContact CE2-CE1 4.27Å; F242-F257 AromaticContact CZ-CD1 3.52Å; F242-F257 HydrophobicContact CZ-CD1 3.52Å; F242-F257 AromaticContact CZ-CE1 3.49Å; F242-F257 HydrophobicContact CZ-CE1 3.49Å; F242-F257 VanDerWaalsContact CZ-CE1 3.49Å; F257-Q259 HydrophobicContact CD2-CB 4.4Å; F257-L264 HydrophobicContact CB-CD1 4.03Å; F257-L264 HydrophobicContact CD2-CD1 3.45Å; F257-L264 VanDerWaalsContact CD2-CD1 3.45Å; F257-L264 HydrophobicContact CE2-CD1 4.18Å; F257-L264 HydrophobicContact CG-CD1 4.03Å
258L92.3Very high76.5Confident0 Ų067.2 Ų67.20%035%0.347CS..EExtended strand (participates in β ladder)trans-95.7134.6165171.760000108.1L237 L239 V260 W263 Y265 L267 F284 F312L237-L258 HydrophobicContact CD1-CD1 3.9Å; L237-L258 HydrophobicContact CD2-CD1 4.04Å; L237-L258 HydrophobicContact CG-CD1 3.75Å; L239-L258 HydrophobicContact CD1-CB 4.13Å; L239-L258 HydrophobicContact CD1-CD1 4.37Å; L258-V260 HydrophobicContact CD1-CG2 4.18Å; L258-V260 HydrophobicContact CG-CG2 4.3Å; L258-W263 HydrophobicContact CD2-CZ3 4.08Å; L258-W263 HydrophobicContact CG-CZ3 4.42Å; L258-Y265 PolarHBondContact N-O 3.28Å; L258-Y265 PolarHBondContact O-N 3.1Å; L258-L267 HydrophobicContact CB-CD1 4.23Å; L258-L267 HydrophobicContact CB-CD2 4.33Å; L258-L267 HydrophobicContact CB-CG 4.44Å; L258-F284 HydrophobicContact CD2-CE1 3.69Å; L258-F284 HydrophobicContact CD2-CE2 4.15Å; L258-F284 HydrophobicContact CD2-CZ 3.44Å; L258-F284 VanDerWaalsContact CD2-CZ 3.44Å; L258-F312 HydrophobicContact CD1-CE2 3.86Å; L258-F312 HydrophobicContact CD1-CZ 4.43Å; L258-F312 HydrophobicContact CD2-CE2 4.34Å; L258-F312 HydrophobicContact CD2-CZ 4.22Å
259Q92.6Very high77.2Confident27 Ų2761.7 Ų61.713%0.12632%0.322CS..EExtended strand (participates in β ladder)trans-128.8134.2170.1-178.2176.4-4.600110.1Y236 L237 R238 F257 C261 W263 L264Y236-Q259 PolarHBondContact OH-NE2 2.9Å; Y236-Q259 VanDerWaalsContact OH-NE2 3.13Å; L237-Q259 CarbonylContact C-O 3.5Å; L237-Q259 VanDerWaalsContact CA-O 3.32Å; L237-Q259 WeakPolarHBondContact CA-O 3.5Å; R238-Q259 HydrophobicContact CG-CB 3.91Å; R238-Q259 VanDerWaalsContact CZ-OE1 3.24Å; R238-Q259 PolarHBondContact N-O 3.34Å; R238-Q259 PolarHBondContact O-N 3Å; F257-Q259 HydrophobicContact CD2-CB 4.4Å; Q259-C261 VanDerWaalsContact CG-O 3.27Å; Q259-C261 WeakPolarHBondContact CG-O 3.26Å; Q259-C261 PolarHBondContact NE2-O 2.98Å; Q259-W263 CarbonylContact C-O 3.6Å; Q259-W263 VanDerWaalsContact CA-O 3.31Å; Q259-W263 WeakPolarHBondContact CA-O 3.37Å; Q259-W263 WeakPolarHBondContact CG-O 3.12Å; Q259-L264 HydrophobicContact CB-CD1 3.95Å; Q259-L264 HydrophobicContact CG-CD1 4.39Å
260V92.7Very high77.7Confident1 Ų155.3 Ų55.31%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-128.6105.5174.1-168.70000108V217 I219 Y236 L237 L258 D262 W263 V298V217-V260 HydrophobicContact CB-CG1 4.22Å; V217-V260 HydrophobicContact CG1-CG1 3.64Å; I219-V260 HydrophobicContact CG2-CB 3.95Å; I219-V260 HydrophobicContact CG2-CG1 3.66Å; I219-V260 HydrophobicContact CG2-CG2 4.5Å; Y236-V260 WeakPolarHBondContact O-CA 3.3Å; L237-V260 HydrophobicContact CB-CG2 4.35Å; L237-V260 HydrophobicContact CD1-CG2 3.9Å; L237-V260 HydrophobicContact CG-CG2 4.06Å; L258-V260 HydrophobicContact CD1-CG2 4.18Å; L258-V260 HydrophobicContact CG-CG2 4.3Å; V260-D262 PolarHBondContact O-N 3.45Å; V260-W263 HydrophobicContact CB-CE3 4.14Å; V260-W263 HydrophobicContact CG2-CE3 3.99Å; V260-W263 HydrophobicContact CG2-CZ3 4.16Å; V260-W263 PolarHBondContact N-O 3.28Å; V260-W263 PolarHBondContact O-N 2.82Å; V260-V298 HydrophobicContact CG2-CG1 4.22Å; V260-V298 HydrophobicContact CG2-CG2 4.44Å
261C89Confident78.6Confident31 Ų3156.5 Ų56.521%0.20932%0.318CS..THydrogen-bonded Turntrans48.9-117.4-165.9-590000111.5Y236 Q259Y236-C261 HydrophobicContact CE1-CB 4.44Å; Y236-C261 PolarHBondContact O-N 2.89Å; Y236-C261 PolarHBondContact OH-O 3.09Å; Q259-C261 VanDerWaalsContact CG-O 3.27Å; Q259-C261 WeakPolarHBondContact CG-O 3.26Å; Q259-C261 PolarHBondContact NE2-O 2.98Å
262D84.4Confident79.8Confident157 Ų15751 Ų5184%0.8428%0.282SS*.THydrogen-bonded Turntrans-88.8-8.3-178.6-50.9-57.6000113.6V260V260-D262 PolarHBondContact O-N 3.45Å
263W90.1Very high81.1Confident21 Ų2149.9 Ų49.98%0.0827%0.273CS..EExtended strand (participates in β ladder)trans-84.4130.8176.5-179.873.9000110.9I219 L258 Q259 V260 Y265 F284 V296 V298I219-W263 HydrophobicContact CD1-CB 3.75Å; I219-W263 HydrophobicContact CD1-CG 4.26Å; L258-W263 HydrophobicContact CD2-CZ3 4.08Å; L258-W263 HydrophobicContact CG-CZ3 4.42Å; Q259-W263 CarbonylContact C-O 3.6Å; Q259-W263 VanDerWaalsContact CA-O 3.31Å; Q259-W263 WeakPolarHBondContact CA-O 3.37Å; Q259-W263 WeakPolarHBondContact CG-O 3.12Å; V260-W263 HydrophobicContact CB-CE3 4.14Å; V260-W263 HydrophobicContact CG2-CE3 3.99Å; V260-W263 HydrophobicContact CG2-CZ3 4.16Å; V260-W263 PolarHBondContact N-O 3.28Å; V260-W263 PolarHBondContact O-N 2.82Å; W263-Y265 HydrophobicContact CH2-CD2 4.2Å; W263-Y265 HydrophobicContact CH2-CG 4Å; W263-Y265 AromaticContact CZ2-CD2 3.89Å; W263-Y265 HydrophobicContact CZ2-CD2 3.89Å; W263-Y265 HydrophobicContact CZ2-CG 4.1Å; W263-F284 HydrophobicContact CH2-CB 3.81Å; W263-F284 HydrophobicContact CH2-CD1 4.17Å; W263-F284 AromaticContact CH2-CD2 3.86Å; W263-F284 HydrophobicContact CH2-CD2 3.86Å; W263-F284 HydrophobicContact CH2-CE2 4.48Å; W263-F284 AromaticContact CH2-CG 3.7Å; W263-F284 HydrophobicContact CH2-CG 3.7Å; W263-F284 HydrophobicContact CZ2-CB 4.04Å; W263-F284 HydrophobicContact CZ2-CG 4.42Å; W263-V296 HydrophobicContact CD2-CG1 4.17Å; W263-V296 HydrophobicContact CH2-CB 4.32Å; W263-V296 HydrophobicContact CH2-CG1 4.36Å; W263-V296 HydrophobicContact CZ2-CB 3.72Å; W263-V296 HydrophobicContact CZ2-CG1 4.01Å; W263-V296 HydrophobicContact CZ2-CG2 3.95Å; W263-V298 HydrophobicContact CE3-CG2 4.45Å; W263-V298 HydrophobicContact CH2-CG2 4.16Å; W263-V298 HydrophobicContact CZ3-CG2 3.69Å
264L87.3Confident82.2Confident95 Ų9545.1 Ų45.150%0.49726%0.255SS..EExtended strand (participates in β ladder)trans-126.4128-176-178.570.7000109.8F257 Q259F257-L264 HydrophobicContact CB-CD1 4.03Å; F257-L264 HydrophobicContact CD2-CD1 3.45Å; F257-L264 VanDerWaalsContact CD2-CD1 3.45Å; F257-L264 HydrophobicContact CE2-CD1 4.18Å; F257-L264 HydrophobicContact CG-CD1 4.03Å; Q259-L264 HydrophobicContact CB-CD1 3.95Å; Q259-L264 HydrophobicContact CG-CD1 4.39Å
265Y88.1Confident83Confident6 Ų647.1 Ų47.12%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-126.7117.6-179.9-174.9-92.4000111.2L258 W263 L267 F284 P285 M287L258-Y265 PolarHBondContact N-O 3.28Å; L258-Y265 PolarHBondContact O-N 3.1Å; W263-Y265 HydrophobicContact CH2-CD2 4.2Å; W263-Y265 HydrophobicContact CH2-CG 4Å; W263-Y265 AromaticContact CZ2-CD2 3.89Å; W263-Y265 HydrophobicContact CZ2-CD2 3.89Å; W263-Y265 HydrophobicContact CZ2-CG 4.1Å; Y265-L267 HydrophobicContact CD1-CD2 3.67Å; Y265-L267 HydrophobicContact CE1-CD2 3.87Å; Y265-F284 AromaticContact CD1-CD1 3.73Å; Y265-F284 HydrophobicContact CD1-CD1 3.73Å; Y265-F284 HydrophobicContact CD1-CE1 4.18Å; Y265-F284 HydrophobicContact CD2-CB 4.24Å; Y265-F284 HydrophobicContact CD2-CD1 4.36Å; Y265-F284 AromaticContact CE1-CD1 3.74Å; Y265-F284 HydrophobicContact CE1-CD1 3.74Å; Y265-F284 HydrophobicContact CE1-CE1 4.34Å; Y265-F284 HydrophobicContact CE2-CB 4.16Å; Y265-F284 HydrophobicContact CE2-CD1 4.38Å; Y265-F284 HydrophobicContact CG-CD1 4.07Å; Y265-P285 WeakPolarHBondContact CE2-O 3.35Å; Y265-M287 HydrophobicContact CD2-CG 4.48Å; Y265-M287 HydrophobicContact CD2-SD 4.23Å; Y265-M287 HydrophobicContact CE2-CG 4.1Å; Y265-M287 HydrophobicContact CE2-SD 3.83Å
266P85.6Confident83.5Confident33 Ų3345.5 Ų45.521%0.21425%0.251CS..EExtended strand (participates in β ladder)trans-76133.5178.231.4-34000111.5P254 S272 M287P254-P266 HydrophobicContact CB-CB 3.8Å; P254-P266 HydrophobicContact CG-CB 3.85Å; P266-S272 PolarHBondContact O-OG 2.96Å; P266-M287 HydrophobicContact CG-CE 3.69Å; P266-M287 HydrophobicContact CG-SD 3.55Å; P266-M287 VanDerWaalsContact CG-SD 3.55Å
267L83.9Confident83.5Confident1 Ų146.6 Ų46.61%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-101.6100.3-176.9-56.6169.9000109L239 P255 A256 L258 Y265 S269 M319 T320L239-L267 HydrophobicContact CD1-CD1 3.38Å; P255-L267 VanDerWaalsContact CD-O 3.23Å; P255-L267 WeakPolarHBondContact CD-O 3.4Å; P255-L267 WeakPolarHBondContact CG-O 3.44Å; A256-L267 HydrophobicContact CB-CB 4.11Å; A256-L267 HydrophobicContact CB-CD1 3.98Å; A256-L267 WeakPolarHBondContact O-CB 3.38Å; A256-L267 PolarHBondContact O-N 3.01Å; L258-L267 HydrophobicContact CB-CD1 4.23Å; L258-L267 HydrophobicContact CB-CD2 4.33Å; L258-L267 HydrophobicContact CB-CG 4.44Å; Y265-L267 HydrophobicContact CD1-CD2 3.67Å; Y265-L267 HydrophobicContact CE1-CD2 3.87Å; L267-S269 PolarHBondContact O-N 3.5Å; L267-S269 VanDerWaalsContact O-N 3.14Å; L267-M319 HydrophobicContact CD1-CE 4.14Å; L267-T320 HydrophobicContact CD2-CG2 3.56Å
268M72.8Confident82.9Confident88 Ų8851 Ų5143%0.43328%0.284SS..  trans-86.639.7-177-64.1-64.3-68.700112.1P254 N271 S272P254-M268 HydrophobicContact CB-SD 3.63Å; M268-N271 HydrophobicContact CB-CB 4.5Å; M268-N271 PolarHBondContact O-N 3Å; M268-S272 PolarHBondContact N-OG 3.46Å
269S65.3Low82Confident53 Ų5356.1 Ų56.137%0.37132%0.315SS..G310 helixtrans50.8-144.8-169.5-610000111.5P255 L267 N271 S272 M319 T320P255-S269 WeakPolarHBondContact CG-OG 3.47Å; L267-S269 PolarHBondContact O-N 3.5Å; L267-S269 VanDerWaalsContact O-N 3.14Å; S269-N271 PolarHBondContact O-N 3.09Å; S269-S272 PolarHBondContact O-N 2.97Å; S269-M319 CarbonylContact C-O 3.56Å; S269-M319 VanDerWaalsContact C-O 3.29Å; S269-M319 VanDerWaalsContact CA-O 3.23Å; S269-M319 WeakPolarHBondContact CA-O 3.27Å; S269-T320 WeakPolarHBondContact O-CA 3.47Å
270V61Low81.3Confident101 Ų10156.5 Ų56.561%0.61233%0.326SS*.G310 helixtrans-57.73.1-179-590000116.3
271N65.4Low81.2Confident136 Ų13657.3 Ų57.373%0.72733%0.331SS*.G310 helixtrans-101.5-11.8175.5-64.6-9.9000113.6M268 S269 P273M268-N271 HydrophobicContact CB-CB 4.5Å; M268-N271 PolarHBondContact O-N 3Å; S269-N271 PolarHBondContact O-N 3.09Å; N271-P273 WeakPolarHBondContact O-CD 3.41Å
272S78.8Confident81.4Confident5 Ų556.2 Ų56.24%0.03532%0.322CS..SBendtrans-83.4113.8171.1-78.10000109.5P266 M268 S269 T320 D321P266-S272 PolarHBondContact O-OG 2.96Å; M268-S272 PolarHBondContact N-OG 3.46Å; S269-S272 PolarHBondContact O-N 2.97Å; S272-T320 CarbonylContact O-C 3.55Å; S272-T320 WeakPolarHBondContact O-CA 3.43Å; S272-T320 VanDerWaalsContact O-CB 3.26Å; S272-T320 WeakPolarHBondContact O-CB 3.34Å; S272-D321 PolarHBondContact O-N 3.11Å
273P85.1Confident81.9Confident61 Ų6150.1 Ų50.140%0.39629%0.289SS..EExtended strand (participates in β ladder)trans-82.3133.8-179.532.8-33.3000111.3N271 P285N271-P273 WeakPolarHBondContact O-CD 3.41Å; P273-P285 HydrophobicContact CG-CG 3.86Å; P273-P285 WeakPolarHBondContact O-CD 3.46Å
274V89.1Confident82Confident3 Ų349.1 Ų49.12%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-134.5133.5174.1-176.80000109.2F282 M283 F284 T320 D321 L322 R323V274-F282 HydrophobicContact CG1-CB 4.34Å; V274-F282 HydrophobicContact CG1-CD1 4.45Å; V274-M283 WeakPolarHBondContact CA-O 3.49Å; V274-F284 HydrophobicContact CB-CE1 4.37Å; V274-F284 HydrophobicContact CG1-CD1 4.26Å; V274-F284 HydrophobicContact CG1-CE1 3.93Å; V274-F284 HydrophobicContact CG1-CE2 4.18Å; V274-F284 HydrophobicContact CG1-CZ 3.88Å; V274-F284 HydrophobicContact CG2-CD1 3.54Å; V274-F284 HydrophobicContact CG2-CE1 3.42Å; V274-F284 VanDerWaalsContact CG2-CE1 3.42Å; V274-F284 HydrophobicContact CG2-CG 4.4Å; V274-F284 HydrophobicContact CG2-CZ 4.21Å; V274-T320 HydrophobicContact CG2-CG2 3.74Å; V274-D321 PolarHBondContact N-O 3.32Å; V274-L322 HydrophobicContact CB-CD1 3.91Å; V274-L322 HydrophobicContact CG1-CD1 3.67Å; V274-L322 WeakPolarHBondContact O-CA 3.17Å; V274-R323 PolarHBondContact O-N 2.77Å
275L87.6Confident82.1Confident75 Ų7546.4 Ų46.439%0.39327%0.273SS..EExtended strand (participates in β ladder)trans-106120.5175.217569.5000109.8F282 M283 R323 Q325L275-F282 WeakPolarHBondContact O-CA 3.43Å; L275-M283 HydrophobicContact CB-CB 4.28Å; L275-M283 PolarHBondContact N-O 3.14Å; L275-M283 PolarHBondContact O-N 2.93Å; L275-R323 WeakPolarHBondContact CA-O 3.35Å; L275-Q325 HydrophobicContact CD1-CB 4.34Å
276E88Confident82Confident24 Ų2447.4 Ų47.411%0.11228%0.279CS..EExtended strand (participates in β ladder)trans-87.5110.2165.1-176.4-177.4175.200109.1F282 K313 L322 R323 Q325E276-F282 HydrophobicContact CB-CD1 4.16Å; E276-F282 HydrophobicContact CB-CE1 4.04Å; E276-F282 HydrophobicContact CG-CD1 4.3Å; E276-F282 HydrophobicContact CG-CE1 3.85Å; E276-F282 HydrophobicContact CG-CZ 4.16Å; E276-K313 IonicContact OE1-NZ 3.56Å; E276-K313 PolarHBondContact OE1-NZ 3.02Å; E276-K313 WeakPolarHBondContact OE2-CD 3.4Å; E276-K313 WeakPolarHBondContact OE2-CE 3.45Å; E276-K313 IonicContact OE2-NZ 2.63Å; E276-K313 PolarHBondContact OE2-NZ 3.37Å; E276-L322 HydrophobicContact CB-CD1 4.23Å; E276-R323 PolarHBondContact N-O 2.97Å; E276-Q325 WeakPolarHBondContact O-CB 3.26Å; E276-Q325 PolarHBondContact O-N 2.89Å
277C84.9Confident81.7Confident25 Ų2551.3 Ų51.317%0.16930%0.296CS..  trans-71152.6173.5-640000110.8T279 G280 V281C277-T279 PolarHBondContact O-N 3.07Å; C277-G280 PolarHBondContact O-N 3.42Å; C277-V281 HydrophobicContact CB-CB 4.4Å; C277-V281 PolarHBondContact N-O 3.49Å
278N77.4Confident81.4Confident129 Ų12959 Ų5969%0.6933%0.334SS*.THydrogen-bonded Turntrans-60-13.7177.864.77.2000114.6Q325N278-Q325 PolarHBondContact OD1-OE1 3.21Å
279T73.4Confident81.9Confident107 Ų10755.8 Ų55.866%0.65632%0.322SS*.THydrogen-bonded Turntrans-82.9-3.2172.2500000114.7C277C277-T279 PolarHBondContact O-N 3.07Å
280G78.1Confident82.6Confident34 Ų3459 Ų5935%0.35134%0.341SS..SBendtrans8118.5-176.300000114.6C277C277-G280 PolarHBondContact O-N 3.42Å
281V90.6Very high83.6Confident18 Ų1856.6 Ų56.611%0.10933%0.332CS..EExtended strand (participates in β ladder)trans-94.6136.8174.5-178.70000109.7F220 C277 M283 V299F220-V281 HydrophobicContact CE1-CG1 3.81Å; F220-V281 HydrophobicContact CZ-CG1 3.87Å; C277-V281 HydrophobicContact CB-CB 4.4Å; C277-V281 PolarHBondContact N-O 3.49Å; V281-M283 HydrophobicContact CG1-SD 3.77Å; V281-V299 HydrophobicContact CG1-CG2 4.17Å; V281-V299 HydrophobicContact CG2-CG2 4.14Å
282F93.3Very high84.4Confident9 Ų956.1 Ų56.14%0.03934%0.336CS..EExtended strand (participates in β ladder)trans-103.3114.2177.9-62.6-92.8000109.8V274 L275 E276 F284 V298 L300 F312 K313 L316 L322V274-F282 HydrophobicContact CG1-CB 4.34Å; V274-F282 HydrophobicContact CG1-CD1 4.45Å; L275-F282 WeakPolarHBondContact O-CA 3.43Å; E276-F282 HydrophobicContact CB-CD1 4.16Å; E276-F282 HydrophobicContact CB-CE1 4.04Å; E276-F282 HydrophobicContact CG-CD1 4.3Å; E276-F282 HydrophobicContact CG-CE1 3.85Å; E276-F282 HydrophobicContact CG-CZ 4.16Å; F282-F284 HydrophobicContact CB-CE2 3.66Å; F282-F284 HydrophobicContact CB-CZ 4.26Å; F282-F284 WeakPolarHBondContact O-CD2 3.45Å; F282-F284 WeakPolarHBondContact O-CE2 3.33Å; F282-V298 HydrophobicContact CB-CB 4.49Å; F282-V298 PolarHBondContact N-O 3.15Å; F282-V298 PolarHBondContact O-N 3.43Å; F282-L300 HydrophobicContact CD2-CD1 3.91Å; F282-L300 HydrophobicContact CE2-CD1 3.66Å; F282-F312 HydrophobicContact CD1-CE1 4.46Å; F282-F312 HydrophobicContact CD2-CD1 4.44Å; F282-F312 AromaticContact CD2-CE1 3.88Å; F282-F312 HydrophobicContact CD2-CE1 3.88Å; F282-F312 HydrophobicContact CE2-CD1 4.19Å; F282-F312 HydrophobicContact CE2-CE1 4.08Å; F282-F312 HydrophobicContact CG-CE1 4.09Å; F282-F312 HydrophobicContact CZ-CD1 4.39Å; F282-F312 HydrophobicContact CZ-CE1 4.45Å; F282-K313 HydrophobicContact CE1-CB 4.44Å; F282-K313 HydrophobicContact CE1-CG 4.4Å; F282-K313 HydrophobicContact CZ-CB 4.15Å; F282-K313 HydrophobicContact CZ-CG 4.4Å; F282-L316 HydrophobicContact CD1-CD1 3.63Å; F282-L316 HydrophobicContact CE1-CD1 4.02Å; F282-L316 HydrophobicContact CG-CD1 4.18Å; F282-L322 HydrophobicContact CD1-CD1 4.06Å; F282-L322 HydrophobicContact CE1-CD1 4.24Å
283M93.3Very high84.5Confident29 Ų2957.2 Ų57.214%0.14335%0.348CS..EExtended strand (participates in β ladder)trans-97.2127.9-179.4-56.6-59.7-53.100111.1F220 V222 V274 L275 V281 V296 G297F220-M283 HydrophobicContact CE2-CE 4.11Å; F220-M283 HydrophobicContact CE2-SD 4.21Å; F220-M283 HydrophobicContact CZ-CE 4.43Å; F220-M283 HydrophobicContact CZ-SD 3.92Å; V222-M283 HydrophobicContact CG2-CE 3.79Å; V274-M283 WeakPolarHBondContact CA-O 3.49Å; L275-M283 HydrophobicContact CB-CB 4.28Å; L275-M283 PolarHBondContact N-O 3.14Å; L275-M283 PolarHBondContact O-N 2.93Å; V281-M283 HydrophobicContact CG1-SD 3.77Å; M283-V296 WeakPolarHBondContact CA-O 3.4Å; M283-G297 WeakPolarHBondContact SD-CA 3.41Å
284F93.1Very high84.7Confident0 Ų057.3 Ų57.30%034%0.341CS..EExtended strand (participates in β ladder)trans-119.7146.7178.7-60.6-103.3000109.7L258 W263 Y265 V274 F282 Y295 V296 V298 L316L258-F284 HydrophobicContact CD2-CE1 3.69Å; L258-F284 HydrophobicContact CD2-CE2 4.15Å; L258-F284 HydrophobicContact CD2-CZ 3.44Å; L258-F284 VanDerWaalsContact CD2-CZ 3.44Å; W263-F284 HydrophobicContact CH2-CB 3.81Å; W263-F284 HydrophobicContact CH2-CD1 4.17Å; W263-F284 AromaticContact CH2-CD2 3.86Å; W263-F284 HydrophobicContact CH2-CD2 3.86Å; W263-F284 HydrophobicContact CH2-CE2 4.48Å; W263-F284 AromaticContact CH2-CG 3.7Å; W263-F284 HydrophobicContact CH2-CG 3.7Å; W263-F284 HydrophobicContact CZ2-CB 4.04Å; W263-F284 HydrophobicContact CZ2-CG 4.42Å; Y265-F284 AromaticContact CD1-CD1 3.73Å; Y265-F284 HydrophobicContact CD1-CD1 3.73Å; Y265-F284 HydrophobicContact CD1-CE1 4.18Å; Y265-F284 HydrophobicContact CD2-CB 4.24Å; Y265-F284 HydrophobicContact CD2-CD1 4.36Å; Y265-F284 AromaticContact CE1-CD1 3.74Å; Y265-F284 HydrophobicContact CE1-CD1 3.74Å; Y265-F284 HydrophobicContact CE1-CE1 4.34Å; Y265-F284 HydrophobicContact CE2-CB 4.16Å; Y265-F284 HydrophobicContact CE2-CD1 4.38Å; Y265-F284 HydrophobicContact CG-CD1 4.07Å; V274-F284 HydrophobicContact CB-CE1 4.37Å; V274-F284 HydrophobicContact CG1-CD1 4.26Å; V274-F284 HydrophobicContact CG1-CE1 3.93Å; V274-F284 HydrophobicContact CG1-CE2 4.18Å; V274-F284 HydrophobicContact CG1-CZ 3.88Å; V274-F284 HydrophobicContact CG2-CD1 3.54Å; V274-F284 HydrophobicContact CG2-CE1 3.42Å; V274-F284 VanDerWaalsContact CG2-CE1 3.42Å; V274-F284 HydrophobicContact CG2-CG 4.4Å; V274-F284 HydrophobicContact CG2-CZ 4.21Å; F282-F284 HydrophobicContact CB-CE2 3.66Å; F282-F284 HydrophobicContact CB-CZ 4.26Å; F282-F284 WeakPolarHBondContact O-CD2 3.45Å; F282-F284 WeakPolarHBondContact O-CE2 3.33Å; F284-Y295 CarbonylContact O-C 3.24Å; F284-Y295 WeakPolarHBondContact O-CA 3.47Å; F284-Y295 WeakPolarHBondContact O-CB 3.41Å; F284-V296 PolarHBondContact N-O 3.22Å; F284-V296 PolarHBondContact O-N 3.42Å; F284-V298 HydrophobicContact CD2-CG2 3.75Å; F284-V298 HydrophobicContact CE2-CB 4.01Å; F284-V298 HydrophobicContact CE2-CG2 3.54Å; F284-L316 HydrophobicContact CE1-CD2 4.1Å; F284-L316 HydrophobicContact CZ-CD1 4.04Å; F284-L316 HydrophobicContact CZ-CD2 4.05Å
285P89.3Confident84.8Confident37 Ų3762.3 Ų62.324%0.2436%0.36CS..EExtended strand (participates in β ladder)trans-62.5137.3167.3-17.930.1000110.9Y265 P273 M287Y265-P285 WeakPolarHBondContact CE2-O 3.35Å; P273-P285 HydrophobicContact CG-CG 3.86Å; P273-P285 WeakPolarHBondContact O-CD 3.46Å; P285-M287 PolarHBondContact O-N 3.42Å
286D86.9Confident85.1Confident28 Ų2858.8 Ų58.815%0.1534%0.342CS..  trans-79.6111171.9-169.9-6.3000110.3M288 A289 Y294 V296D286-M288 VanDerWaalsContact C-N 3.32Å; D286-M288 PolarHBondContact OD1-N 2.67Å; D286-A289 HydrophobicContact CB-CB 3.88Å; D286-A289 PolarHBondContact OD1-N 2.88Å; D286-Y294 PolarHBondContact N-O 3.34Å; D286-V296 HydrophobicContact CB-CG2 3.95Å
287M79.1Confident85.4Confident115 Ų11557.6 Ų57.657%0.56734%0.336SS*.SBendtrans-82-8.8179-65.9-17762.300113.6Y265 P266 P285Y265-M287 HydrophobicContact CD2-CG 4.48Å; Y265-M287 HydrophobicContact CD2-SD 4.23Å; Y265-M287 HydrophobicContact CE2-CG 4.1Å; Y265-M287 HydrophobicContact CE2-SD 3.83Å; P266-M287 HydrophobicContact CG-CE 3.69Å; P266-M287 HydrophobicContact CG-SD 3.55Å; P266-M287 VanDerWaalsContact CG-SD 3.55Å; P285-M287 PolarHBondContact O-N 3.42Å
288M78Confident85.9Confident161 Ų16156.4 Ų56.479%0.79333%0.328SS*.SBendtrans-101.3-4.2177.1-59.3-57.7-6200112.7D286D286-M288 VanDerWaalsContact C-N 3.32Å; D286-M288 PolarHBondContact OD1-N 2.67Å
289A83.3Confident86.7Confident22 Ų2252.2 Ų52.218%0.18231%0.307CS..SBendtrans-69.6153-179.200000113.4D286 A291 Y294D286-A289 HydrophobicContact CB-CB 3.88Å; D286-A289 PolarHBondContact OD1-N 2.88Å; A289-A291 PolarHBondContact O-N 2.76Å; A289-Y294 VanDerWaalsContact CB-CB 3.43Å; A289-Y294 HydrophobicContact CB-CD1 4.26Å; A289-Y294 HydrophobicContact CB-CD2 3.84Å; A289-Y294 HydrophobicContact CB-CG 3.59Å
290P80Confident87.5Confident120 Ų12048.1 Ų48.178%0.77928%0.281SS*.SBendtrans-72.1-11.9-178.230.3-36.9000114.3Y294P290-Y294 HydrophobicContact CG-CE2 4.31Å
291A80.4Confident88.1Confident50 Ų5047.8 Ų47.841%0.41327%0.274SS..SBendtrans-153.5161.317900000111A289 Y294A289-A291 PolarHBondContact O-N 2.76Å; A291-Y294 HydrophobicContact CB-CE2 4.34Å; A291-Y294 VanDerWaalsContact O-CD2 3.3Å; A291-Y294 WeakPolarHBondContact O-CD2 3.49Å
292P82.4Confident87.9Confident127 Ų12752 Ų5283%0.82530%0.303SS*.THydrogen-bonded Turntrans-61.7156.2169.3-21.233.9000112.7
293G81.1Confident87.6Confident28 Ų2860 Ų6029%0.28934%0.341SS..THydrogen-bonded Turntrans93.4-0.8176.800000115.2Y295G293-Y295 VanDerWaalsContact O-CD2 3.26Å; G293-Y295 WeakPolarHBondContact O-CD2 3.44Å; G293-Y295 WeakPolarHBondContact O-CE2 3.45Å
294Y88.9Confident87.4Confident63 Ų6359.6 Ų59.625%0.24734%0.339CS..  trans-81.9144.5163.6-72.3-104.4000110.2V222 T223 P224 D286 A289 P290 A291V222-Y294 VanDerWaalsContact O-CA 3.3Å; V222-Y294 WeakPolarHBondContact O-CA 3.39Å; T223-Y294 HydrophobicContact CG2-CD1 4.44Å; T223-Y294 HydrophobicContact CG2-CE1 3.98Å; P224-Y294 VanDerWaalsContact CD-CD2 3.47Å; P224-Y294 VanDerWaalsContact CD-CZ 3.49Å; P224-Y294 HydrophobicContact CG-CD2 3.55Å; P224-Y294 HydrophobicContact CG-CE2 3.46Å; P224-Y294 VanDerWaalsContact CG-CE2 3.46Å; P224-Y294 HydrophobicContact CG-CG 4.31Å; D286-Y294 PolarHBondContact N-O 3.34Å; A289-Y294 VanDerWaalsContact CB-CB 3.43Å; A289-Y294 HydrophobicContact CB-CD1 4.26Å; A289-Y294 HydrophobicContact CB-CD2 3.84Å; A289-Y294 HydrophobicContact CB-CG 3.59Å; P290-Y294 HydrophobicContact CG-CE2 4.31Å; A291-Y294 HydrophobicContact CB-CE2 4.34Å; A291-Y294 VanDerWaalsContact O-CD2 3.3Å; A291-Y294 WeakPolarHBondContact O-CD2 3.49Å
295Y91.3Very high87.3Confident108 Ų10862.8 Ų62.842%0.42436%0.36SS..EExtended strand (participates in β ladder)trans-137.5153.7179.9-58.5-89.4000111.9F221 V222 F284 G293F221-Y295 CarbonylContact C-O 3.48Å; F221-Y295 WeakPolarHBondContact CA-O 3.43Å; V222-Y295 PolarHBondContact N-O 3.11Å; V222-Y295 PolarHBondContact O-N 2.74Å; F284-Y295 CarbonylContact O-C 3.24Å; F284-Y295 WeakPolarHBondContact O-CA 3.47Å; F284-Y295 WeakPolarHBondContact O-CB 3.41Å; G293-Y295 VanDerWaalsContact O-CD2 3.26Å; G293-Y295 WeakPolarHBondContact O-CD2 3.44Å; G293-Y295 WeakPolarHBondContact O-CE2 3.45Å
296V94.4Very high87.3Confident0 Ų064.3 Ų64.30%038%0.376CS..EExtended strand (participates in β ladder)trans-113.3124.3171-174.10000109.1I219 F220 F221 W263 M283 F284 D286I219-V296 HydrophobicContact CB-CG1 4.01Å; I219-V296 HydrophobicContact CG2-CG1 4.34Å; F220-V296 CarbonylContact O-C 3.29Å; F220-V296 WeakPolarHBondContact O-CA 3.46Å; F221-V296 HydrophobicContact CD1-CG2 3.73Å; F221-V296 HydrophobicContact CE1-CG2 3.68Å; W263-V296 HydrophobicContact CD2-CG1 4.17Å; W263-V296 HydrophobicContact CH2-CB 4.32Å; W263-V296 HydrophobicContact CH2-CG1 4.36Å; W263-V296 HydrophobicContact CZ2-CB 3.72Å; W263-V296 HydrophobicContact CZ2-CG1 4.01Å; W263-V296 HydrophobicContact CZ2-CG2 3.95Å; M283-V296 WeakPolarHBondContact CA-O 3.4Å; F284-V296 PolarHBondContact N-O 3.22Å; F284-V296 PolarHBondContact O-N 3.42Å; D286-V296 HydrophobicContact CB-CG2 3.95Å
297G94.1Very high87.6Confident0 Ų066.2 Ų66.20%040%0.396CS..EExtended strand (participates in β ladder)trans-95.5118.117300000111I219 F220 M283I219-G297 CarbonylContact C-O 3.55Å; I219-G297 VanDerWaalsContact CA-O 3.29Å; I219-G297 WeakPolarHBondContact CA-O 3.41Å; F220-G297 WeakPolarHBondContact CD1-O 3.01Å; F220-G297 PolarHBondContact N-O 2.61Å; F220-G297 PolarHBondContact O-N 3.04Å; M283-G297 WeakPolarHBondContact SD-CA 3.41Å
298V95Very high88.1Confident0 Ų063 Ų630%038%0.381CS..EExtended strand (participates in β ladder)trans-96.5128.4175.5-176.20000109.4V217 I219 L237 V260 W263 F282 F284V217-V298 HydrophobicContact CG1-CG1 3.68Å; I219-V298 HydrophobicContact CG2-CG2 4.12Å; L237-V298 HydrophobicContact CD1-CG1 4.38Å; V260-V298 HydrophobicContact CG2-CG1 4.22Å; V260-V298 HydrophobicContact CG2-CG2 4.44Å; W263-V298 HydrophobicContact CE3-CG2 4.45Å; W263-V298 HydrophobicContact CH2-CG2 4.16Å; W263-V298 HydrophobicContact CZ3-CG2 3.69Å; F282-V298 HydrophobicContact CB-CB 4.49Å; F282-V298 PolarHBondContact N-O 3.15Å; F282-V298 PolarHBondContact O-N 3.43Å; F284-V298 HydrophobicContact CD2-CG2 3.75Å; F284-V298 HydrophobicContact CE2-CB 4.01Å; F284-V298 HydrophobicContact CE2-CG2 3.54Å
299V93.9Very high88.8Confident41 Ų4158.9 Ų58.925%0.24836%0.356CS..EExtended strand (participates in β ladder)trans-121127.4-176.5-1700000109.6V217 Q218 F220 V281V217-V299 WeakPolarHBondContact CA-O 3.29Å; V217-V299 WeakPolarHBondContact CG1-O 3.38Å; Q218-V299 HydrophobicContact CB-CB 4.49Å; Q218-V299 PolarHBondContact N-O 2.78Å; Q218-V299 PolarHBondContact O-N 3.38Å; F220-V299 HydrophobicContact CD1-CG2 3.95Å; F220-V299 HydrophobicContact CE1-CG2 3.71Å; V281-V299 HydrophobicContact CG1-CG2 4.17Å; V281-V299 HydrophobicContact CG2-CG2 4.14Å
300L91.8Very high89.3Confident20 Ų2060.8 Ų60.811%0.10537%0.372CS..EExtended strand (participates in β ladder)trans-101.3129.4173.8-66.7122.2000109.8I213 V217 F282 L304 R309 F312I213-L300 HydrophobicContact CD1-CD2 3.62Å; V217-L300 HydrophobicContact CG2-CD2 3.99Å; V217-L300 HydrophobicContact CG2-CG 4.45Å; F282-L300 HydrophobicContact CD2-CD1 3.91Å; F282-L300 HydrophobicContact CE2-CD1 3.66Å; L300-L304 HydrophobicContact CB-CD1 3.95Å; L300-L304 HydrophobicContact CD2-CD1 3.87Å; L300-L304 HydrophobicContact CG-CD1 4.49Å; L300-R309 HydrophobicContact CB-CG 4.16Å; L300-R309 HydrophobicContact CD2-CG 4.45Å; L300-F312 HydrophobicContact CD1-CD1 3.51Å; L300-F312 HydrophobicContact CD1-CE1 3.72Å; L300-F312 HydrophobicContact CD1-CG 4.45Å; L300-F312 HydrophobicContact CD2-CD1 4.35Å
301S89.9Confident90Very high28 Ų2858.7 Ų58.720%0.19635%0.354CS..  trans-57.4144.5177.6178.90000112.1G216 E303 L304 R309G216-S301 VanDerWaalsContact O-CB 3.26Å; G216-S301 WeakPolarHBondContact O-CB 3.27Å; G216-S301 PolarHBondContact O-N 3.42Å; S301-E303 PolarHBondContact O-N 3.12Å; S301-E303 WeakPolarHBondContact OG-CB 3.34Å; S301-E303 PolarHBondContact OG-N 3.47Å; S301-E303 VanDerWaalsContact OG-N 3.13Å; S301-L304 WeakPolarHBondContact O-CB 3.44Å; S301-L304 PolarHBondContact O-N 2.92Å; S301-R309 PolarHBondContact O-NH1 2.87Å
302S86.5Confident90.7Very high105 Ų10556.3 Ų56.373%0.73433%0.334SS*.THydrogen-bonded Turntrans-64.4-22170.650.90000112.7L304 R309S302-L304 VanDerWaalsContact C-N 3.31Å; S302-L304 PolarHBondContact O-N 2.69Å; S302-R309 PolarHBondContact O-NH1 2.81Å
303E86.6Confident91.2Very high177 Ų17753.8 Ų53.883%0.82731%0.311SS*.THydrogen-bonded Turntrans-74.9-17.7177.5-58.6176.3149.800113.2S301S301-E303 PolarHBondContact O-N 3.12Å; S301-E303 WeakPolarHBondContact OG-CB 3.34Å; S301-E303 PolarHBondContact OG-N 3.47Å; S301-E303 VanDerWaalsContact OG-N 3.13Å
304L89.2Confident91.8Very high21 Ų2156.6 Ų56.611%0.1132%0.319CS..SBendtrans-62.5153.8175.7-73.9169000112I213 N215 V217 L300 S301 S302 A306 R309I213-L304 HydrophobicContact CD1-CD1 4.49Å; I213-L304 HydrophobicContact CG2-CD1 4.1Å; I213-L304 HydrophobicContact CG2-CD2 3.59Å; N215-L304 WeakPolarHBondContact O-CD2 3.48Å; V217-L304 HydrophobicContact CG2-CD1 4.39Å; L300-L304 HydrophobicContact CB-CD1 3.95Å; L300-L304 HydrophobicContact CD2-CD1 3.87Å; L300-L304 HydrophobicContact CG-CD1 4.49Å; S301-L304 WeakPolarHBondContact O-CB 3.44Å; S301-L304 PolarHBondContact O-N 2.92Å; S302-L304 VanDerWaalsContact C-N 3.31Å; S302-L304 PolarHBondContact O-N 2.69Å; L304-A306 PolarHBondContact O-N 2.87Å; L304-R309 HydrophobicContact CB-CG 4.25Å; L304-R309 PolarHBondContact O-NH1 2.72Å; L304-R309 PolarHBondContact O-NH2 2.86Å
305P91.2Very high92Very high68 Ų6854.4 Ų54.444%0.44231%0.312SS..  trans-55.4135.8170-24.335000111.3A307 D308 R309P305-A307 PolarHBondContact O-N 3.22Å; P305-D308 HydrophobicContact CB-CB 4.38Å; P305-D308 WeakPolarHBondContact CD-OD2 3.27Å; P305-D308 VanDerWaalsContact CG-OD2 3.27Å; P305-D308 WeakPolarHBondContact CG-OD2 3.42Å; P305-D308 PolarHBondContact O-N 2.86Å; P305-R309 PolarHBondContact O-N 2.84Å
306A90.3Very high92Very high68 Ų6849.3 Ų49.356%0.56229%0.291SS*.Hα-helixtrans-63.4-27.4178.100000112.4L304 A310L304-A306 PolarHBondContact O-N 2.87Å; A306-A310 WeakPolarHBondContact O-CB 3.46Å; A306-A310 PolarHBondContact O-N 3.17Å; A306-A310 VanDerWaalsContact O-N 3.09Å
307A92.2Very high91.8Very high69 Ų6952.7 Ų52.757%0.5732%0.315SS*.Hα-helixtrans-61.2-50.5172.300000111.4P305 R309 A310 L311P305-A307 PolarHBondContact O-N 3.22Å; A307-R309 PolarHBondContact O-N 3.13Å; A307-A310 PolarHBondContact O-N 3.16Å; A307-A310 VanDerWaalsContact O-N 3.15Å; A307-L311 VanDerWaalsContact O-CB 3.29Å; A307-L311 WeakPolarHBondContact O-CB 3.31Å; A307-L311 PolarHBondContact O-N 3Å
308D90.6Very high91.5Very high47 Ų4758.7 Ų58.725%0.25134%0.343SS..Hα-helixtrans-64.1-41.2-176.3-52.71.4000111.6I213 P305 L311 F312I213-D308 HydrophobicContact CD1-CB 4.29Å; I213-D308 HydrophobicContact CG1-CB 4.46Å; P305-D308 HydrophobicContact CB-CB 4.38Å; P305-D308 WeakPolarHBondContact CD-OD2 3.27Å; P305-D308 VanDerWaalsContact CG-OD2 3.27Å; P305-D308 WeakPolarHBondContact CG-OD2 3.42Å; P305-D308 PolarHBondContact O-N 2.86Å; D308-L311 PolarHBondContact O-N 2.89Å; D308-F312 WeakPolarHBondContact O-CB 3.47Å; D308-F312 PolarHBondContact O-N 3.01Å
309R92.6Very high90.9Very high74 Ų7459.8 Ų59.828%0.27935%0.348SS..Hα-helixtrans-63.5-41.7173.3-69.9-165.8-64.6-93.9-9112.3L300 S301 S302 L304 P305 A307 K313L300-R309 HydrophobicContact CB-CG 4.16Å; L300-R309 HydrophobicContact CD2-CG 4.45Å; S301-R309 PolarHBondContact O-NH1 2.87Å; S302-R309 PolarHBondContact O-NH1 2.81Å; L304-R309 HydrophobicContact CB-CG 4.25Å; L304-R309 PolarHBondContact O-NH1 2.72Å; L304-R309 PolarHBondContact O-NH2 2.86Å; P305-R309 PolarHBondContact O-N 2.84Å; A307-R309 PolarHBondContact O-N 3.13Å; R309-K313 WeakPolarHBondContact O-CB 3.34Å; R309-K313 PolarHBondContact O-N 2.87Å; R309-K313 VanDerWaalsContact O-N 3.12Å
310A93Very high90.6Very high63 Ų6358 Ų5852%0.52134%0.338SS..Hα-helixtrans-68.7-38.7177.500000112A306 A307 N314A306-A310 WeakPolarHBondContact O-CB 3.46Å; A306-A310 PolarHBondContact O-N 3.17Å; A306-A310 VanDerWaalsContact O-N 3.09Å; A307-A310 PolarHBondContact O-N 3.16Å; A307-A310 VanDerWaalsContact O-N 3.15Å; A310-N314 VanDerWaalsContact O-CB 3.29Å; A310-N314 WeakPolarHBondContact O-CB 3.18Å; A310-N314 PolarHBondContact O-N 2.81Å
311L94.7Very high90.3Very high75 Ų7559.5 Ų59.539%0.39335%0.346SS..Hα-helixtrans-65.1-46.6175.9179.956.7000110.9L211 A307 D308 K313 N314 L315L211-L311 HydrophobicContact CD1-CD2 4.04Å; L211-L311 HydrophobicContact CD1-CG 4.47Å; A307-L311 VanDerWaalsContact O-CB 3.29Å; A307-L311 WeakPolarHBondContact O-CB 3.31Å; A307-L311 PolarHBondContact O-N 3Å; D308-L311 PolarHBondContact O-N 2.89Å; L311-K313 PolarHBondContact O-N 3.49Å; L311-N314 PolarHBondContact O-N 3.17Å; L311-L315 HydrophobicContact CD1-CD1 3.76Å; L311-L315 HydrophobicContact CD1-CG 3.95Å; L311-L315 HydrophobicContact CG-CD1 3.86Å; L311-L315 HydrophobicContact CG-CG 4.44Å; L311-L315 WeakPolarHBondContact O-CB 3.3Å; L311-L315 VanDerWaalsContact O-CG 3.27Å; L311-L315 WeakPolarHBondContact O-CG 3.41Å; L311-L315 PolarHBondContact O-N 2.81Å
312F94.6Very high90.1Very high0 Ų059.3 Ų59.30%034%0.343CS..Hα-helixtrans-55.3-51.9173.8178.6-112.2000112.2L211 L237 L258 F282 L300 D308 N314 L315 L316L211-F312 HydrophobicContact CD2-CB 3.62Å; L211-F312 HydrophobicContact CD2-CD2 3.9Å; L211-F312 HydrophobicContact CD2-CG 4.23Å; L237-F312 HydrophobicContact CD1-CD2 4.14Å; L237-F312 HydrophobicContact CD1-CE2 3.64Å; L237-F312 HydrophobicContact CD1-CZ 3.89Å; L237-F312 HydrophobicContact CD2-CD2 4Å; L237-F312 HydrophobicContact CD2-CE2 4.04Å; L237-F312 HydrophobicContact CG-CE2 4.42Å; L258-F312 HydrophobicContact CD1-CE2 3.86Å; L258-F312 HydrophobicContact CD1-CZ 4.43Å; L258-F312 HydrophobicContact CD2-CE2 4.34Å; L258-F312 HydrophobicContact CD2-CZ 4.22Å; F282-F312 HydrophobicContact CD1-CE1 4.46Å; F282-F312 HydrophobicContact CD2-CD1 4.44Å; F282-F312 AromaticContact CD2-CE1 3.88Å; F282-F312 HydrophobicContact CD2-CE1 3.88Å; F282-F312 HydrophobicContact CE2-CD1 4.19Å; F282-F312 HydrophobicContact CE2-CE1 4.08Å; F282-F312 HydrophobicContact CG-CE1 4.09Å; F282-F312 HydrophobicContact CZ-CD1 4.39Å; F282-F312 HydrophobicContact CZ-CE1 4.45Å; L300-F312 HydrophobicContact CD1-CD1 3.51Å; L300-F312 HydrophobicContact CD1-CE1 3.72Å; L300-F312 HydrophobicContact CD1-CG 4.45Å; L300-F312 HydrophobicContact CD2-CD1 4.35Å; D308-F312 WeakPolarHBondContact O-CB 3.47Å; D308-F312 PolarHBondContact O-N 3.01Å; F312-N314 VanDerWaalsContact C-N 3.32Å; F312-N314 PolarHBondContact O-N 3.38Å; F312-L315 PolarHBondContact O-N 3.28Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CD2-CG 4.47Å; F312-L316 HydrophobicContact CE1-CD1 3.43Å; F312-L316 VanDerWaalsContact CE1-CD1 3.43Å; F312-L316 HydrophobicContact CE1-CG 4.18Å; F312-L316 HydrophobicContact CE2-CD1 4.11Å; F312-L316 HydrophobicContact CE2-CD2 4.32Å; F312-L316 HydrophobicContact CE2-CG 4.02Å; F312-L316 HydrophobicContact CZ-CD1 3.46Å; F312-L316 VanDerWaalsContact CZ-CD1 3.46Å; F312-L316 HydrophobicContact CZ-CD2 4.28Å; F312-L316 HydrophobicContact CZ-CG 3.9Å; F312-L316 PolarHBondContact O-N 2.83Å
313K93.2Very high90Very high75 Ų7561.8 Ų61.833%0.32634%0.336SS..Hα-helixtrans-59.1-41.8177.3176.1170.1173.2159.60112E276 F282 R309 L311 S317 L322E276-K313 IonicContact OE1-NZ 3.56Å; E276-K313 PolarHBondContact OE1-NZ 3.02Å; E276-K313 WeakPolarHBondContact OE2-CD 3.4Å; E276-K313 WeakPolarHBondContact OE2-CE 3.45Å; E276-K313 IonicContact OE2-NZ 2.63Å; E276-K313 PolarHBondContact OE2-NZ 3.37Å; F282-K313 HydrophobicContact CE1-CB 4.44Å; F282-K313 HydrophobicContact CE1-CG 4.4Å; F282-K313 HydrophobicContact CZ-CB 4.15Å; F282-K313 HydrophobicContact CZ-CG 4.4Å; R309-K313 WeakPolarHBondContact O-CB 3.34Å; R309-K313 PolarHBondContact O-N 2.87Å; R309-K313 VanDerWaalsContact O-N 3.12Å; L311-K313 PolarHBondContact O-N 3.49Å; K313-S317 WeakPolarHBondContact O-CB 3.2Å; K313-S317 PolarHBondContact O-N 3.37Å; K313-L322 HydrophobicContact CG-CD2 4.19Å
314N93.6Very high90.1Very high86 Ų8657.4 Ų57.446%0.4632%0.321SS..Hα-helixtrans-66.4-42.4178.6-176.1-93.6000112.4A310 L311 F312 S317 Q318A310-N314 VanDerWaalsContact O-CB 3.29Å; A310-N314 WeakPolarHBondContact O-CB 3.18Å; A310-N314 PolarHBondContact O-N 2.81Å; L311-N314 PolarHBondContact O-N 3.17Å; F312-N314 VanDerWaalsContact C-N 3.32Å; F312-N314 PolarHBondContact O-N 3.38Å; N314-S317 WeakPolarHBondContact O-CB 3.26Å; N314-S317 PolarHBondContact O-N 3.03Å; N314-Q318 WeakPolarHBondContact O-CG 3.32Å; N314-Q318 PolarHBondContact O-N 2.79Å; N314-Q318 VanDerWaalsContact O-N 3.17Å; N314-Q318 PolarHBondContact OD1-NE2 3.04Å
315L92.9Very high89.5Confident18 Ų1860.3 Ų60.39%0.09433%0.334CS..Hα-helixtrans-69-39.2178.4-67.5170.5000111.9L210 L211 L239 L311 F312 Q318 M319L210-L315 HydrophobicContact CB-CD1 3.97Å; L210-L315 HydrophobicContact CB-CD2 4.46Å; L210-L315 HydrophobicContact CD1-CD2 4.38Å; L211-L315 HydrophobicContact CB-CD1 4.02Å; L239-L315 HydrophobicContact CD2-CB 3.53Å; L239-L315 HydrophobicContact CD2-CD1 3.87Å; L239-L315 HydrophobicContact CD2-CG 4.34Å; L311-L315 HydrophobicContact CD1-CD1 3.76Å; L311-L315 HydrophobicContact CD1-CG 3.95Å; L311-L315 HydrophobicContact CG-CD1 3.86Å; L311-L315 HydrophobicContact CG-CG 4.44Å; L311-L315 WeakPolarHBondContact O-CB 3.3Å; L311-L315 VanDerWaalsContact O-CG 3.27Å; L311-L315 WeakPolarHBondContact O-CG 3.41Å; L311-L315 PolarHBondContact O-N 2.81Å; F312-L315 PolarHBondContact O-N 3.28Å; L315-Q318 PolarHBondContact O-N 2.96Å; L315-M319 HydrophobicContact CB-CE 4.19Å; L315-M319 PolarHBondContact O-N 3.46Å
316L91.4Very high88.5Confident0 Ų061 Ų610%035%0.345CS..Hα-helixtrans-58.2-47.8168.1-77.7-176.1000111.3F282 F284 F312 Q318 M319 T320 L322F282-L316 HydrophobicContact CD1-CD1 3.63Å; F282-L316 HydrophobicContact CE1-CD1 4.02Å; F282-L316 HydrophobicContact CG-CD1 4.18Å; F284-L316 HydrophobicContact CE1-CD2 4.1Å; F284-L316 HydrophobicContact CZ-CD1 4.04Å; F284-L316 HydrophobicContact CZ-CD2 4.05Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CD2-CG 4.47Å; F312-L316 HydrophobicContact CE1-CD1 3.43Å; F312-L316 VanDerWaalsContact CE1-CD1 3.43Å; F312-L316 HydrophobicContact CE1-CG 4.18Å; F312-L316 HydrophobicContact CE2-CD1 4.11Å; F312-L316 HydrophobicContact CE2-CD2 4.32Å; F312-L316 HydrophobicContact CE2-CG 4.02Å; F312-L316 HydrophobicContact CZ-CD1 3.46Å; F312-L316 VanDerWaalsContact CZ-CD1 3.46Å; F312-L316 HydrophobicContact CZ-CD2 4.28Å; F312-L316 HydrophobicContact CZ-CG 3.9Å; F312-L316 PolarHBondContact O-N 2.83Å; L316-Q318 PolarHBondContact O-N 3.38Å; L316-Q318 VanDerWaalsContact O-N 3.09Å; L316-M319 CarbonylContact O-C 3.58Å; L316-M319 PolarHBondContact O-N 2.61Å; L316-T320 HydrophobicContact CD2-CG2 4.19Å; L316-T320 PolarHBondContact O-N 3.4Å; L316-T320 PolarHBondContact O-OG1 3.16Å; L316-L322 HydrophobicContact CB-CD2 4.3Å
317S90.2Very high86.8Confident71 Ų7163 Ų6350%0.49735%0.352SS..Hα-helixtrans-61.9-16.8179.3-169.10000114.4K313 N314K313-S317 WeakPolarHBondContact O-CB 3.2Å; K313-S317 PolarHBondContact O-N 3.37Å; N314-S317 WeakPolarHBondContact O-CB 3.26Å; N314-S317 PolarHBondContact O-N 3.03Å
318Q87.8Confident84.5Confident127 Ų12765.7 Ų65.759%0.59336%0.357SS*.Hα-helixtrans-92.2-25.2173.3-70.3-17863.400113.1N314 L315 L316N314-Q318 WeakPolarHBondContact O-CG 3.32Å; N314-Q318 PolarHBondContact O-N 2.79Å; N314-Q318 VanDerWaalsContact O-N 3.17Å; N314-Q318 PolarHBondContact OD1-NE2 3.04Å; L315-Q318 PolarHBondContact O-N 2.96Å; L316-Q318 PolarHBondContact O-N 3.38Å; L316-Q318 VanDerWaalsContact O-N 3.09Å
319M82.4Confident82.1Confident22 Ų2272.8 Ų72.811%0.10839%0.389CS..Hα-helixtrans-118.94.7-169.1-61-171-66.200114.4L210 L239 A256 L267 S269 L315 L316L210-M319 HydrophobicContact CD1-CE 3.86Å; L210-M319 HydrophobicContact CD1-SD 3.99Å; L239-M319 HydrophobicContact CD1-CE 3.86Å; L239-M319 HydrophobicContact CD2-CE 3.79Å; L239-M319 HydrophobicContact CG-CE 3.86Å; A256-M319 HydrophobicContact CB-CE 4.45Å; A256-M319 HydrophobicContact CB-SD 3.68Å; L267-M319 HydrophobicContact CD1-CE 4.14Å; S269-M319 CarbonylContact C-O 3.56Å; S269-M319 VanDerWaalsContact C-O 3.29Å; S269-M319 VanDerWaalsContact CA-O 3.23Å; S269-M319 WeakPolarHBondContact CA-O 3.27Å; L315-M319 HydrophobicContact CB-CE 4.19Å; L315-M319 PolarHBondContact O-N 3.46Å; L316-M319 CarbonylContact O-C 3.58Å; L316-M319 PolarHBondContact O-N 2.61Å
320T86.9Confident79.5Confident5 Ų572.8 Ų72.83%0.03141%0.405CS..SBendtrans-145.5159.8178.3650000110.8L267 S269 S272 V274 L316 L322L267-T320 HydrophobicContact CD2-CG2 3.56Å; S269-T320 WeakPolarHBondContact O-CA 3.47Å; S272-T320 CarbonylContact O-C 3.55Å; S272-T320 WeakPolarHBondContact O-CA 3.43Å; S272-T320 VanDerWaalsContact O-CB 3.26Å; S272-T320 WeakPolarHBondContact O-CB 3.34Å; V274-T320 HydrophobicContact CG2-CG2 3.74Å; L316-T320 HydrophobicContact CD2-CG2 4.19Å; L316-T320 PolarHBondContact O-N 3.4Å; L316-T320 PolarHBondContact O-OG1 3.16Å; T320-L322 PolarHBondContact O-N 2.78Å
321D85.9Confident77Confident50 Ų5074 Ų7427%0.26742%0.415SS..EExtended strand (participates in β ladder)trans-74.176.8159.8176.515.5000108.6S272 V274 R323S272-D321 PolarHBondContact O-N 3.11Å; V274-D321 PolarHBondContact N-O 3.32Å; D321-R323 VanDerWaalsContact CG-NE 3.35Å; D321-R323 PolarHBondContact O-N 3.06Å; D321-R323 WeakPolarHBondContact OD1-CG 3.34Å; D321-R323 IonicContact OD1-NE 3.08Å; D321-R323 PolarHBondContact OD1-NE 2.89Å; D321-R323 VanDerWaalsContact OD1-NE 3.15Å; D321-R323 IonicContact OD2-CZ 3.63Å; D321-R323 IonicContact OD2-NE 2.93Å; D321-R323 PolarHBondContact OD2-NE 3.47Å; D321-R323 IonicContact OD2-NH2 3.51Å; D321-R323 PolarHBondContact OD2-NH2 3.39Å
322L87Confident74.4Confident25 Ų2577.7 Ų77.713%0.13144%0.435CS..EExtended strand (participates in β ladder)trans-78.1104177.9-177.267.2000109.8V274 E276 F282 K313 L316 T320V274-L322 HydrophobicContact CB-CD1 3.91Å; V274-L322 HydrophobicContact CG1-CD1 3.67Å; V274-L322 WeakPolarHBondContact O-CA 3.17Å; E276-L322 HydrophobicContact CB-CD1 4.23Å; F282-L322 HydrophobicContact CD1-CD1 4.06Å; F282-L322 HydrophobicContact CE1-CD1 4.24Å; K313-L322 HydrophobicContact CG-CD2 4.19Å; L316-L322 HydrophobicContact CB-CD2 4.3Å; T320-L322 PolarHBondContact O-N 2.78Å
323R84.6Confident72Confident156 Ų15683.3 Ų83.359%0.58947%0.474SS*.EExtended strand (participates in β ladder)trans-97122.9176.4-57.3-174.9-174.3-1784.7109.1V274 L275 E276 D321V274-R323 PolarHBondContact O-N 2.77Å; L275-R323 WeakPolarHBondContact CA-O 3.35Å; E276-R323 PolarHBondContact N-O 2.97Å; D321-R323 VanDerWaalsContact CG-NE 3.35Å; D321-R323 PolarHBondContact O-N 3.06Å; D321-R323 WeakPolarHBondContact OD1-CG 3.34Å; D321-R323 IonicContact OD1-NE 3.08Å; D321-R323 PolarHBondContact OD1-NE 2.89Å; D321-R323 VanDerWaalsContact OD1-NE 3.15Å; D321-R323 IonicContact OD2-CZ 3.63Å; D321-R323 IonicContact OD2-NE 2.93Å; D321-R323 PolarHBondContact OD2-NE 3.47Å; D321-R323 IonicContact OD2-NH2 3.51Å; D321-R323 PolarHBondContact OD2-NH2 3.39Å
324V87.2Confident69.2Low86 Ų8685.9 Ų85.952%0.52150%0.496SS..EExtended strand (participates in β ladder)trans-83.7131.7171.3-1720000108.5A326V324-A326 PolarHBondContact O-N 3.07Å; V324-A326 VanDerWaalsContact O-N 3.17Å
325Q78.1Confident66.2Low82 Ų8288.7 Ų88.738%0.38351%0.511SS..PPolyproline II helixtrans-59.8117.9170.6-173.4178.524.100109.2L275 E276 N278L275-Q325 HydrophobicContact CD1-CB 4.34Å; E276-Q325 WeakPolarHBondContact O-CB 3.26Å; E276-Q325 PolarHBondContact O-N 2.89Å; N278-Q325 PolarHBondContact OD1-OE1 3.21Å
326A68.8Low63.5Low81 Ų8196 Ų9667%0.66955%0.549SS*.PPolyproline II helixtrans-57.8133.3-17500000111.4V324V324-A326 PolarHBondContact O-N 3.07Å; V324-A326 VanDerWaalsContact O-N 3.17Å
327P55.1Low60.9Low110 Ų110100.8 Ų100.871%0.71458%0.583SS**PPolyproline II helixtrans-57.9137.7162.4-19.432.2000109.3E329P327-E329 PolarHBondContact O-N 3.32Å
328D44.3Very low58.1Low127 Ų127107 Ų10768%0.67960%0.604SS**  trans-77.6106.6177.2-164.810.6000109.2A330 A331D328-A330 PolarHBondContact O-N 2.95Å; D328-A331 PolarHBondContact O-N 3.42Å
329E39.9Very low55.7Low196 Ų196110.4 Ų110.492%0.91662%0.617SS**THydrogen-bonded Turntrans-71.244.3179-73.8-98.2128.800112.1P327P327-E329 PolarHBondContact O-N 3.32Å
330A38.7Very low53Low73 Ų73116 Ų11660%0.60365%0.652SS**THydrogen-bonded Turntrans-126.91.8172.600000112.1D328D328-A330 PolarHBondContact O-N 2.95Å
331A40.1Very low50Low89 Ų89120.8 Ų120.874%0.73669%0.685SS**SBendtrans-81.7-18.5-176.300000114.7D328D328-A331 PolarHBondContact O-N 3.42Å
332D40.3Very low47.4Very low153 Ų153126.9 Ų126.982%0.81872%0.716SS**SBendtrans-97.1134.8179.1-98.4-42000112.7
333S43.1Very low44.3Very low117 Ų117130.5 Ų130.582%0.81875%0.75SS**  trans74.553171.475.60000120.2
334V34.3Very low41.5Very low130 Ų130127.6 Ų127.679%0.78876%0.759SS**  trans-112.992.7153.3-77.20000112.9L336V334-L336 PolarHBondContact O-N 2.73Å
335N31.7Very low39.4Very low144 Ų144128.9 Ų128.977%0.7777%0.769SS**  trans-75.8115.5173.6-172.9-42.4000110.7S337N335-S337 VanDerWaalsContact C-N 3.28Å; N335-S337 PolarHBondContact O-N 2.74Å
336L36.7Very low37.1Very low171 Ų171132.7 Ų132.790%0.89579%0.787SS**SBendtrans-75.266.9-177.2-75.6163.9000112.9V334V334-L336 PolarHBondContact O-N 2.73Å
337S36.6Very low35.1Very low102 Ų102133.9 Ų133.971%0.71378%0.779SS**  trans-15434.1177.8-81.50000116.5N335N335-S337 VanDerWaalsContact C-N 3.28Å; N335-S337 PolarHBondContact O-N 2.74Å
338Q30.4Very low33.8Very low201 Ų201137.4 Ų137.494%0.93978%0.778SS**  trans-141.8137.2165.8-134166.4-2.100114.3
339K37.9Very low33Very low199 Ų199139.4 Ų139.487%0.86578%0.783SS**  trans-122.4118.5-175.4168.4-166.9174.1-176.40109.1
340V25.7Very low32.4Very low139 Ų139140.8 Ų140.884%0.84278%0.78SS**  trans164.6149.8166.4139.80000106
341S23.1Very low33Very low105 Ų105142.3 Ų142.373%0.73478%0.784SS**  cis-165.2159.5-31.6-81.20000106
342I31Very low33.2Very low179 Ų179143.8 Ų143.892%0.91879%0.785SS**  trans-80.7135.2-174.8-61.1164.9000112
343A23.4Very low32.8Very low101 Ų101140.6 Ų140.684%0.83578%0.78SS**  trans-156.7145.9158.600000113.2
344A24.7Very low32.2Very low94 Ų94138.8 Ų138.878%0.77777%0.772SS**  trans-154.2173.8165.600000106
345P44.5Very low32Very low114 Ų114140.1 Ų140.174%0.7478%0.775SS**  cis-136.4-146.18.931.2-4.7000113.1
346E29.4Very low32Very low162 Ų162142.2 Ų142.276%0.75778%0.78SS**  trans80149.8160.2-55.5-149.5129.400118.6
347E26.4Very low31.7Very low105 Ų105138 Ų13849%0.49177%0.77SS.*  cis-159.5167.5-8.3-126.9-163.7133.900113.2
348R27.7Very low31.5Very low185 Ų185137.6 Ų137.670%0.69877%0.773SS**  trans63.8157.5154.9-72.8169.8-179.1122.821.7118.3
349E27.8Very low31.5Very low168 Ų168133.5 Ų133.579%0.78577%0.767SS**  cis-150.2-176.81.6-135.3154.4-138.500113.3
350R27.9Very low31Very low226 Ų226128.6 Ų128.685%0.85376%0.763SS**  trans-162.2-178.5-175.3-148.2-144.7-74-179.6-4.4108.8
351P50.5Low31.1Very low105 Ų105130.6 Ų130.668%0.68276%0.763SS**  cis-102.4-131.3-38.933.2-11.5000108.5
352P44.6Very low31.3Very low119 Ų119132.4 Ų132.477%0.77377%0.77SS**  cis-123.5-152-2839.4-18.3000110.8
353A31.1Very low31.4Very low86 Ų86132.5 Ų132.571%0.71177%0.767SS**  cis-159169.7-3.200000111.1
354A31Very low31.8Very low79 Ų79137.1 Ų137.165%0.65377%0.771SS**  trans48146.8139.800000123
355D29.2Very low32.1Very low159 Ų159140 Ų14085%0.8577%0.769SS**  cis-162.5-179.1-11.6-97.5-22.5000110.1
356E32Very low31.7Very low188 Ų188144.5 Ų144.588%0.87978%0.776SS**  trans-76.1-173.7-172.1-54.6-164.2132.900115.3
357A31.3Very low32.1Very low82 Ų82140.5 Ų140.568%0.67877%0.767SS**  cis-167.1165.423.200000117.1
358A32.7Very low32.7Very low94 Ų94143 Ų14378%0.77778%0.782SS**  trans62.8149.7140.900000122
359S29.3Very low33.5Very low115 Ų115137 Ų13780%0.80477%0.767SS**  cis-169.8150.9-21.352.60000110.3
360A28.3Very low34.3Very low96 Ų96135 Ų13579%0.79376%0.758SS**  trans-168.1113.6158.600000111.1
361E28.1Very low34.8Very low180 Ų180132.3 Ų132.384%0.84175%0.748SS**  trans-47.6134.2-174.4-61.5123.9-120.700117.4
362T25.9Very low34.6Very low143 Ų143129.7 Ų129.788%0.87773%0.732SS**  -151.8128.9115.2-62.70000107.5
363E33.7Very low34.7Very low182 Ų182131 Ų13185%0.8573%0.728SS**  trans-85.2131.4-175.5-61174.714200111.5
364E32.3Very low35.3Very low197 Ų197132.6 Ų132.692%0.92172%0.719SS**  -149.4135.8126.9-135.9178-146.300109.8
365E30.4Very low35.9Very low156 Ų156132.2 Ų132.273%0.72971%0.708SS**  trans-88.2125-160.3-169.8-165.4106.300112.2S367E365-S367 PolarHBondContact O-N 2.81Å; E365-S367 WeakPolarHBondContact OE1-CB 3.38Å; E365-S367 PolarHBondContact OE1-OG 3.44Å
366K35.4Very low36.6Very low207 Ų207127 Ų12790%0.969%0.687SS**  trans-8067.4165-79.4-174.1176.2175.30111.3L368K366-L368 PolarHBondContact O-N 2.71Å
367S37.8Very low37Very low79 Ų79120.8 Ų120.855%0.55266%0.664SS**  trans-66112.1157.720.30000108.4E365 P369E365-S367 PolarHBondContact O-N 2.81Å; E365-S367 WeakPolarHBondContact OE1-CB 3.38Å; E365-S367 PolarHBondContact OE1-OG 3.44Å; S367-P369 WeakPolarHBondContact O-CD 3.4Å
368L40.8Very low37.5Very low157 Ų157118.7 Ų118.782%0.82265%0.651SS**  trans-65.5122.4164.4-78.9174.6000107.3K366K366-L368 PolarHBondContact O-N 2.71Å
369P44.5Very low38.3Very low59 Ų59119.6 Ų119.638%0.38364%0.641SS.*  trans-71.7142-168.727.7-35.9000111.8S367 W371 S372S367-P369 WeakPolarHBondContact O-CD 3.4Å; P369-W371 HydrophobicContact CB-CG 4.36Å; P369-W371 HydrophobicContact CG-CG 4.31Å; P369-W371 PolarHBondContact O-N 3.4Å; P369-S372 WeakPolarHBondContact O-CB 3.31Å; P369-S372 PolarHBondContact O-N 2.88Å; P369-S372 PolarHBondContact O-OG 3.34Å
370E43.9Very low38.6Very low127 Ų127120.1 Ų120.159%0.59364%0.635SS**THydrogen-bonded Turntrans-54.9-16.9-179.2-156-155.9166.800113.8S372 K374E370-S372 PolarHBondContact O-N 2.89Å; E370-K374 PolarHBondContact O-N 3.08Å; E370-K374 WeakPolarHBondContact OE1-CE 3.35Å; E370-K374 IonicContact OE1-NZ 3.51Å; E370-K374 PolarHBondContact OE1-NZ 3Å; E370-K374 IonicContact OE2-NZ 2.67Å; E370-K374 PolarHBondContact OE2-NZ 3.05Å
371W37.9Very low39.2Very low169 Ų169119.7 Ų119.764%0.6462%0.622SS**Hα-helixtrans-64-27.417374.6-111.7000112.6P369 K374 V375P369-W371 HydrophobicContact CB-CG 4.36Å; P369-W371 HydrophobicContact CG-CG 4.31Å; P369-W371 PolarHBondContact O-N 3.4Å; W371-K374 PolarHBondContact O-N 3.36Å; W371-V375 HydrophobicContact CE3-CB 4.3Å; W371-V375 HydrophobicContact CE3-CG2 3.8Å; W371-V375 HydrophobicContact CZ3-CG2 4.27Å; W371-V375 WeakPolarHBondContact O-CB 3.46Å; W371-V375 WeakPolarHBondContact O-CG2 3.4Å; W371-V375 PolarHBondContact O-N 3.42Å
372S46.7Very low39.7Very low49 Ų49112.7 Ų112.734%0.34360%0.598SS.*Hα-helixtrans-64.8-43.2179.558.10000112.5P369 E370 V375 A376P369-S372 WeakPolarHBondContact O-CB 3.31Å; P369-S372 PolarHBondContact O-N 2.88Å; P369-S372 PolarHBondContact O-OG 3.34Å; E370-S372 PolarHBondContact O-N 2.89Å; S372-V375 PolarHBondContact O-N 2.72Å; S372-A376 WeakPolarHBondContact O-CB 3.5Å; S372-A376 PolarHBondContact O-N 3.14Å
373E46Very low40.6Very low147 Ų147108.5 Ų108.569%0.68758%0.578SS**Hα-helixtrans-70.9-35173.9-62.5-166.2144.100112.4A376 S377E373-A376 PolarHBondContact O-N 3.35Å; E373-S377 WeakPolarHBondContact O-CB 3.41Å; E373-S377 PolarHBondContact O-N 3.27Å; E373-S377 PolarHBondContact O-OG 3.21Å
374K43.4Very low40.7Very low120 Ų120103.6 Ų103.652%0.52256%0.564SS.*Hα-helixtrans-68-33.5173.6-74.2169.5-177.9165.70112.7E370 W371 S377 G378E370-K374 PolarHBondContact O-N 3.08Å; E370-K374 WeakPolarHBondContact OE1-CE 3.35Å; E370-K374 IonicContact OE1-NZ 3.51Å; E370-K374 PolarHBondContact OE1-NZ 3Å; E370-K374 IonicContact OE2-NZ 2.67Å; E370-K374 PolarHBondContact OE2-NZ 3.05Å; W371-K374 PolarHBondContact O-N 3.36Å; K374-S377 WeakPolarHBondContact CA-OG 3.38Å; K374-S377 PolarHBondContact O-OG 2.93Å; K374-G378 PolarHBondContact O-N 3.02Å
375V44.7Very low41Very low70 Ų70104.1 Ų104.142%0.42456%0.558SS.*Hα-helixtrans-74.4-41.8172167.10000111W371 S372 G378 I379W371-V375 HydrophobicContact CE3-CB 4.3Å; W371-V375 HydrophobicContact CE3-CG2 3.8Å; W371-V375 HydrophobicContact CZ3-CG2 4.27Å; W371-V375 WeakPolarHBondContact O-CB 3.46Å; W371-V375 WeakPolarHBondContact O-CG2 3.4Å; W371-V375 PolarHBondContact O-N 3.42Å; S372-V375 PolarHBondContact O-N 2.72Å; V375-G378 PolarHBondContact O-N 2.94Å; V375-I379 HydrophobicContact CG1-CD1 3.7Å; V375-I379 HydrophobicContact CG1-CG1 4.35Å; V375-I379 WeakPolarHBondContact O-CB 2.78Å; V375-I379 VanDerWaalsContact O-CG1 3.26Å; V375-I379 WeakPolarHBondContact O-CG1 3.45Å; V375-I379 PolarHBondContact O-N 3.38Å
376A44.1Very low41.5Very low49 Ų49102.7 Ų102.741%0.40555%0.554SS.*Hα-helixtrans-61.6-46.2175.500000112.2S372 E373 I379 L380S372-A376 WeakPolarHBondContact O-CB 3.5Å; S372-A376 PolarHBondContact O-N 3.14Å; E373-A376 PolarHBondContact O-N 3.35Å; A376-I379 PolarHBondContact O-N 2.87Å; A376-L380 WeakPolarHBondContact O-CB 3.27Å; A376-L380 WeakPolarHBondContact O-CG 3.49Å; A376-L380 PolarHBondContact O-N 2.8Å
377S39.8Very low41.7Very low58 Ų5896.2 Ų96.241%0.40654%0.535SS..Hα-helixtrans-69-33.4174.754.90000112.8E373 K374 T381E373-S377 WeakPolarHBondContact O-CB 3.41Å; E373-S377 PolarHBondContact O-N 3.27Å; E373-S377 PolarHBondContact O-OG 3.21Å; K374-S377 WeakPolarHBondContact CA-OG 3.38Å; K374-S377 PolarHBondContact O-OG 2.93Å; S377-T381 VanDerWaalsContact O-CB 3.26Å; S377-T381 WeakPolarHBondContact O-CB 3.42Å; S377-T381 PolarHBondContact O-N 2.85Å; S377-T381 PolarHBondContact O-OG1 3.4Å
378G42.4Very low42.1Very low38 Ų38100.8 Ų100.839%0.39254%0.54SS..Hα-helixtrans-62.3-45.6170.400000113K374 V375 T381 G382K374-G378 PolarHBondContact O-N 3.02Å; V375-G378 PolarHBondContact O-N 2.94Å; G378-T381 PolarHBondContact O-N 2.76Å; G378-G382 PolarHBondContact O-N 2.88Å
379I48.3Very low42.2Very low113 Ų11395 Ų9558%0.57952%0.519SS*.Hα-helixtrans-64.2-45.5175.6-70.5165.9000110.7V375 A376 T381 G382 A383V375-I379 HydrophobicContact CG1-CD1 3.7Å; V375-I379 HydrophobicContact CG1-CG1 4.35Å; V375-I379 WeakPolarHBondContact O-CB 2.78Å; V375-I379 VanDerWaalsContact O-CG1 3.26Å; V375-I379 WeakPolarHBondContact O-CG1 3.45Å; V375-I379 PolarHBondContact O-N 3.38Å; A376-I379 PolarHBondContact O-N 2.87Å; I379-T381 PolarHBondContact O-N 3.37Å; I379-G382 PolarHBondContact O-N 2.66Å; I379-A383 VanDerWaalsContact O-CB 3.23Å; I379-A383 WeakPolarHBondContact O-CB 3.26Å; I379-A383 PolarHBondContact O-N 3.29Å
380L37Very low42.3Very low127 Ų12798.6 Ų98.667%0.66553%0.534SS*.Hα-helixtrans-62.1-41.5176.4-75.3165.7000112.2A376 S384A376-L380 WeakPolarHBondContact O-CB 3.27Å; A376-L380 WeakPolarHBondContact O-CG 3.49Å; A376-L380 PolarHBondContact O-N 2.8Å; L380-S384 VanDerWaalsContact O-CB 3.29Å; L380-S384 WeakPolarHBondContact O-CB 3.41Å; L380-S384 PolarHBondContact O-N 3.39Å
381T41.2Very low42.4Very low87 Ų8796.3 Ų96.353%0.53453%0.529SS..Hα-helixtrans-68.5-44.8177.6-56.20000111.1S377 G378 I379 S384 W385S377-T381 VanDerWaalsContact O-CB 3.26Å; S377-T381 WeakPolarHBondContact O-CB 3.42Å; S377-T381 PolarHBondContact O-N 2.85Å; S377-T381 PolarHBondContact O-OG1 3.4Å; G378-T381 PolarHBondContact O-N 2.76Å; I379-T381 PolarHBondContact O-N 3.37Å; T381-S384 WeakPolarHBondContact O-CB 3.5Å; T381-S384 PolarHBondContact O-N 2.89Å; T381-W385 PolarHBondContact O-N 2.96Å
382G36.8Very low43.2Very low32 Ų3292.4 Ų92.433%0.3352%0.516SS..Hα-helixtrans-62.6-44.9176.600000112.7G378 I379 S384 W385 L386G378-G382 PolarHBondContact O-N 2.88Å; I379-G382 PolarHBondContact O-N 2.66Å; G382-S384 VanDerWaalsContact C-N 3.33Å; G382-S384 PolarHBondContact O-N 3.23Å; G382-W385 PolarHBondContact O-N 2.92Å; G382-L386 WeakPolarHBondContact O-CB 3.45Å; G382-L386 WeakPolarHBondContact O-CG 3.48Å; G382-L386 PolarHBondContact O-N 2.88Å
383A45Very low43Very low56 Ų5691.7 Ų91.746%0.46352%0.517SS..Hα-helixtrans-63-38174.600000112.2I379 S387I379-A383 VanDerWaalsContact O-CB 3.23Å; I379-A383 WeakPolarHBondContact O-CB 3.26Å; I379-A383 PolarHBondContact O-N 3.29Å; A383-S387 VanDerWaalsContact O-CB 3.23Å; A383-S387 WeakPolarHBondContact O-CB 3.48Å; A383-S387 PolarHBondContact O-N 3.3Å
384S36.8Very low43.1Very low79 Ų7987.8 Ų87.855%0.55251%0.51SS*.Hα-helixtrans-64.8-44.3174.1-171.50000112.1L380 T381 G382 S387 W388L380-S384 VanDerWaalsContact O-CB 3.29Å; L380-S384 WeakPolarHBondContact O-CB 3.41Å; L380-S384 PolarHBondContact O-N 3.39Å; T381-S384 WeakPolarHBondContact O-CB 3.5Å; T381-S384 PolarHBondContact O-N 2.89Å; G382-S384 VanDerWaalsContact C-N 3.33Å; G382-S384 PolarHBondContact O-N 3.23Å; S384-S387 PolarHBondContact O-N 2.84Å; S384-W388 WeakPolarHBondContact O-CB 3.25Å; S384-W388 PolarHBondContact O-N 3.01Å
385W38.3Very low43.3Very low208 Ų20885.6 Ų85.679%0.78850%0.501SS*.Hα-helixtrans-64.3-44.1174.3-105.224.8000113T381 G382 W388 G389T381-W385 PolarHBondContact O-N 2.96Å; G382-W385 PolarHBondContact O-N 2.92Å; W385-W388 PolarHBondContact O-N 2.81Å; W385-G389 PolarHBondContact O-N 3.05Å
386L41Very low43.4Very low125 Ų12590.8 Ų90.865%0.65452%0.515SS*.Hα-helixtrans-61.7-45.3175.3-74171.3000111G382 G389 L390G382-L386 WeakPolarHBondContact O-CB 3.45Å; G382-L386 WeakPolarHBondContact O-CG 3.48Å; G382-L386 PolarHBondContact O-N 2.88Å; L386-G389 PolarHBondContact O-N 2.87Å; L386-L390 WeakPolarHBondContact O-CB 3.36Å; L386-L390 PolarHBondContact O-N 3.42Å
387S39Very low43.7Very low72 Ų7292.3 Ų92.350%0.50352%0.519SS..Hα-helixtrans-59.5-48.3175.5-1770000111.9A383 S384 G389 L390 V391A383-S387 VanDerWaalsContact O-CB 3.23Å; A383-S387 WeakPolarHBondContact O-CB 3.48Å; A383-S387 PolarHBondContact O-N 3.3Å; S384-S387 PolarHBondContact O-N 2.84Å; S387-G389 PolarHBondContact O-N 2.82Å; S387-L390 PolarHBondContact O-N 3.1Å; S387-V391 WeakPolarHBondContact O-CB 3.26Å; S387-V391 VanDerWaalsContact O-CG2 3.28Å; S387-V391 WeakPolarHBondContact O-CG2 3.44Å; S387-V391 PolarHBondContact O-N 3.26Å
388W46.8Very low43.9Very low174 Ų17491.3 Ų91.366%0.65952%0.518SS*.Hα-helixtrans-61.5-42.4177-169.588.4000112.1S384 W385 K392S384-W388 WeakPolarHBondContact O-CB 3.25Å; S384-W388 PolarHBondContact O-N 3.01Å; W385-W388 PolarHBondContact O-N 2.81Å; W388-K392 HydrophobicContact CD2-CG 4.28Å; W388-K392 HydrophobicContact CZ2-CG 4.37Å; W388-K392 WeakPolarHBondContact O-CB 3.42Å; W388-K392 WeakPolarHBondContact O-CG 3.23Å; W388-K392 PolarHBondContact O-N 3.46Å
389G43.4Very low44.4Very low37 Ų3795.1 Ų95.138%0.38152%0.523SS..Hα-helixtrans-64.2-44.2176.100000113.2W385 L386 S387 K392 G393W385-G389 PolarHBondContact O-N 3.05Å; L386-G389 PolarHBondContact O-N 2.87Å; S387-G389 PolarHBondContact O-N 2.82Å; G389-K392 PolarHBondContact O-N 2.89Å; G389-G393 PolarHBondContact O-N 3.49Å
390L46.2Very low44.5Very low134 Ų13492.4 Ų92.470%0.70252%0.518SS*.Hα-helixtrans-67.9-42.4177.7-118.5143.3000111.7L386 S387 G393 A394L386-L390 WeakPolarHBondContact O-CB 3.36Å; L386-L390 PolarHBondContact O-N 3.42Å; S387-L390 PolarHBondContact O-N 3.1Å; L390-G393 PolarHBondContact O-N 3.36Å; L390-A394 VanDerWaalsContact O-CB 3.25Å; L390-A394 WeakPolarHBondContact O-CB 3.44Å; L390-A394 PolarHBondContact O-N 2.98Å
391V45.4Very low45.7Very low79 Ų7991.8 Ų91.848%0.47951%0.514SS..Hα-helixtrans-63.4-44175.3170.40000111.1S387 A394 E395S387-V391 WeakPolarHBondContact O-CB 3.26Å; S387-V391 VanDerWaalsContact O-CG2 3.28Å; S387-V391 WeakPolarHBondContact O-CG2 3.44Å; S387-V391 PolarHBondContact O-N 3.26Å; V391-A394 PolarHBondContact O-N 3.48Å; V391-E395 PolarHBondContact O-N 3.15Å
392K54.2Low46.7Very low86 Ų8694.2 Ų94.237%0.37452%0.52SS..Hα-helixtrans-71.2-36.9177.2-71.8-69.1167.1-139.10112.9W388 G389 E395 Y396W388-K392 HydrophobicContact CD2-CG 4.28Å; W388-K392 HydrophobicContact CZ2-CG 4.37Å; W388-K392 WeakPolarHBondContact O-CB 3.42Å; W388-K392 WeakPolarHBondContact O-CG 3.23Å; W388-K392 PolarHBondContact O-N 3.46Å; G389-K392 PolarHBondContact O-N 2.89Å; K392-E395 IonicContact NZ-OE1 2.72Å; K392-E395 PolarHBondContact NZ-OE1 3.36Å; K392-E395 IonicContact NZ-OE2 2.74Å; K392-E395 PolarHBondContact NZ-OE2 3.14Å; K392-E395 PolarHBondContact O-N 2.75Å; K392-Y396 WeakPolarHBondContact O-CB 3.48Å; K392-Y396 PolarHBondContact O-N 2.91Å
393G44Very low48.1Very low35 Ų35100.4 Ų100.436%0.36154%0.537SS..Hα-helixtrans-60.8-44.1171.500000112.1G389 L390 Y396 T397G389-G393 PolarHBondContact O-N 3.49Å; L390-G393 PolarHBondContact O-N 3.36Å; G393-Y396 PolarHBondContact O-N 3.33Å; G393-T397 WeakPolarHBondContact O-CB 3.33Å; G393-T397 PolarHBondContact O-N 2.86Å; G393-T397 PolarHBondContact O-OG1 3.05Å
394A48.1Very low48.7Very low64 Ų6499.7 Ų99.753%0.52954%0.535SS..Hα-helixtrans-66.3-44.1175.600000112.4L390 V391 Y396 T397 G398L390-A394 VanDerWaalsContact O-CB 3.25Å; L390-A394 WeakPolarHBondContact O-CB 3.44Å; L390-A394 PolarHBondContact O-N 2.98Å; V391-A394 PolarHBondContact O-N 3.48Å; A394-Y396 VanDerWaalsContact C-N 3.34Å; A394-Y396 PolarHBondContact O-N 2.93Å; A394-T397 PolarHBondContact O-N 3.38Å; A394-G398 PolarHBondContact O-N 3.46Å
395E47.3Very low49.6Very low74 Ų7498.6 Ų98.635%0.34653%0.531SS..Hα-helixtrans-57-46172.9-86.3-176.5-14100112.3V391 K392 K399V391-E395 PolarHBondContact O-N 3.15Å; K392-E395 IonicContact NZ-OE1 2.72Å; K392-E395 PolarHBondContact NZ-OE1 3.36Å; K392-E395 IonicContact NZ-OE2 2.74Å; K392-E395 PolarHBondContact NZ-OE2 3.14Å; K392-E395 PolarHBondContact O-N 2.75Å; E395-K399 WeakPolarHBondContact O-CB 3.46Å; E395-K399 WeakPolarHBondContact O-CD 3.36Å; E395-K399 VanDerWaalsContact O-CG 3.27Å; E395-K399 WeakPolarHBondContact O-CG 3.38Å; E395-K399 PolarHBondContact O-N 3.15Å; E395-K399 IonicContact OE2-NZ 2.67Å; E395-K399 PolarHBondContact OE2-NZ 2.78Å
396Y45.8Very low50.6Low180 Ų18091.8 Ų91.871%0.70652%0.515SS*.Hα-helixtrans-73.8-38.4-176.3-144.2-79.4000111.5K392 G393 A394 K399 A400K392-Y396 WeakPolarHBondContact O-CB 3.48Å; K392-Y396 PolarHBondContact O-N 2.91Å; G393-Y396 PolarHBondContact O-N 3.33Å; A394-Y396 VanDerWaalsContact C-N 3.34Å; A394-Y396 PolarHBondContact O-N 2.93Å; Y396-K399 PolarHBondContact O-N 2.91Å; Y396-A400 WeakPolarHBondContact O-CB 3.29Å; Y396-A400 PolarHBondContact O-N 2.89Å
397T50.8Low51.6Low81 Ų8191.5 Ų91.550%0.49751%0.509SS..Hα-helixtrans-63.8-43173-58.30000111G393 A394 K399 A400 I401G393-T397 WeakPolarHBondContact O-CB 3.33Å; G393-T397 PolarHBondContact O-N 2.86Å; G393-T397 PolarHBondContact O-OG1 3.05Å; A394-T397 PolarHBondContact O-N 3.38Å; T397-K399 PolarHBondContact O-N 2.71Å; T397-A400 PolarHBondContact O-N 3.43Å; T397-I401 HydrophobicContact CG2-CD1 3.81Å; T397-I401 HydrophobicContact CG2-CG1 4.36Å; T397-I401 WeakPolarHBondContact O-CB 3.49Å; T397-I401 VanDerWaalsContact O-CG1 3.32Å; T397-I401 WeakPolarHBondContact O-CG1 3.4Å; T397-I401 PolarHBondContact O-N 3.43Å
398G43.3Very low52.4Low37 Ų3793.3 Ų93.338%0.38151%0.512SS..Hα-helixtrans-59.9-45.7173.800000112.4A394 A400 I401 Q402A394-G398 PolarHBondContact O-N 3.46Å; G398-A400 VanDerWaalsContact C-N 3.35Å; G398-A400 PolarHBondContact O-N 3.46Å; G398-I401 PolarHBondContact O-N 2.82Å; G398-Q402 VanDerWaalsContact O-CB 3.31Å; G398-Q402 WeakPolarHBondContact O-CB 3.4Å; G398-Q402 PolarHBondContact O-N 3.28Å
399K53.3Low52.9Low117 Ų11795 Ų9551%0.50952%0.519SS..Hα-helixtrans-62.3-39.1173.9-73162.3-175.2160.20112.1E395 Y396 T397 K403E395-K399 WeakPolarHBondContact O-CB 3.46Å; E395-K399 WeakPolarHBondContact O-CD 3.36Å; E395-K399 VanDerWaalsContact O-CG 3.27Å; E395-K399 WeakPolarHBondContact O-CG 3.38Å; E395-K399 PolarHBondContact O-N 3.15Å; E395-K399 IonicContact OE2-NZ 2.67Å; E395-K399 PolarHBondContact OE2-NZ 2.78Å; Y396-K399 PolarHBondContact O-N 2.91Å; T397-K399 PolarHBondContact O-N 2.71Å; K399-K403 WeakPolarHBondContact O-CB 3.1Å; K399-K403 PolarHBondContact O-N 3.34Å
400A51.9Low53.8Low56 Ų5699 Ų9946%0.46353%0.527SS..Hα-helixtrans-67.5-46.917700000112.2Y396 T397 G398 K403 G404Y396-A400 WeakPolarHBondContact O-CB 3.29Å; Y396-A400 PolarHBondContact O-N 2.89Å; T397-A400 PolarHBondContact O-N 3.43Å; G398-A400 VanDerWaalsContact C-N 3.35Å; G398-A400 PolarHBondContact O-N 3.46Å; A400-K403 PolarHBondContact O-N 3.11Å; A400-G404 PolarHBondContact O-N 2.71Å
401I61.8Low54.5Low115 Ų115100 Ų10059%0.5953%0.528SS*.Hα-helixtrans-61.1-45.8175.7-69.6169.8000110.4T397 G398 K403 G404 A405T397-I401 HydrophobicContact CG2-CD1 3.81Å; T397-I401 HydrophobicContact CG2-CG1 4.36Å; T397-I401 WeakPolarHBondContact O-CB 3.49Å; T397-I401 VanDerWaalsContact O-CG1 3.32Å; T397-I401 WeakPolarHBondContact O-CG1 3.4Å; T397-I401 PolarHBondContact O-N 3.43Å; G398-I401 PolarHBondContact O-N 2.82Å; I401-K403 PolarHBondContact O-N 3.25Å; I401-G404 PolarHBondContact O-N 2.87Å; I401-A405 VanDerWaalsContact O-CB 3.27Å; I401-A405 WeakPolarHBondContact O-CB 3.38Å; I401-A405 PolarHBondContact O-N 3.33Å
402Q61.8Low54.8Low138 Ų138101.3 Ų101.365%0.64553%0.531SS*.Hα-helixtrans-63.1-42.5178.3-169.7178.916.800111.9G398 A405 S406G398-Q402 VanDerWaalsContact O-CB 3.31Å; G398-Q402 WeakPolarHBondContact O-CB 3.4Å; G398-Q402 PolarHBondContact O-N 3.28Å; Q402-A405 PolarHBondContact O-N 3.27Å; Q402-S406 PolarHBondContact O-N 2.76Å; Q402-S406 PolarHBondContact O-OG 3.31Å
403K65.3Low54.3Low162 Ų162103.3 Ų103.370%0.70455%0.551SS**Hα-helixtrans-68.4-37.9177.9-165.1173.5-174.8-179.50112.1K399 A400 I401 K407K399-K403 WeakPolarHBondContact O-CB 3.1Å; K399-K403 PolarHBondContact O-N 3.34Å; A400-K403 PolarHBondContact O-N 3.11Å; I401-K403 PolarHBondContact O-N 3.25Å; K403-K407 WeakPolarHBondContact O-CB 3.46Å; K403-K407 PolarHBondContact O-N 2.86Å
404G58.4Low54.4Low40 Ų40106.6 Ų106.641%0.41257%0.565SS.*Hα-helixtrans-66.8-43.7173.400000112.9A400 I401 K407 L408A400-G404 PolarHBondContact O-N 2.71Å; I401-G404 PolarHBondContact O-N 2.87Å; G404-K407 PolarHBondContact O-N 2.78Å; G404-L408 WeakPolarHBondContact O-CB 3.36Å; G404-L408 PolarHBondContact O-N 3.02Å
405A56.6Low54.2Low57 Ų57111.5 Ų111.547%0.47158%0.577SS.*Hα-helixtrans-63.8-41.9176.700000112.1I401 Q402 L408 R409I401-A405 VanDerWaalsContact O-CB 3.27Å; I401-A405 WeakPolarHBondContact O-CB 3.38Å; I401-A405 PolarHBondContact O-N 3.33Å; Q402-A405 PolarHBondContact O-N 3.27Å; A405-L408 PolarHBondContact O-N 3.02Å; A405-R409 WeakPolarHBondContact O-CB 3.32Å; A405-R409 PolarHBondContact O-N 3.43Å
406S58.2Low54.2Low65 Ų65115.7 Ų115.746%0.45560%0.602SS.*Hα-helixtrans-61.7-46171.4-65.60000111.7Q402 L408 R409 E410Q402-S406 PolarHBondContact O-N 2.76Å; Q402-S406 PolarHBondContact O-OG 3.31Å; S406-L408 VanDerWaalsContact C-N 3.31Å; S406-L408 PolarHBondContact O-N 3.42Å; S406-R409 PolarHBondContact O-N 3.49Å; S406-R409 VanDerWaalsContact O-N 3.15Å; S406-E410 WeakPolarHBondContact O-CG 3.35Å; S406-E410 PolarHBondContact O-N 2.93Å
407K62.9Low54.3Low118 Ų118115.2 Ų115.251%0.51360%0.604SS.*Hα-helixtrans-61.9-35.2176.9-89.2-74.5161.2-157.40113.9K403 G404 E410 H411K403-K407 WeakPolarHBondContact O-CB 3.46Å; K403-K407 PolarHBondContact O-N 2.86Å; G404-K407 PolarHBondContact O-N 2.78Å; K407-E410 WeakPolarHBondContact CE-OE2 3.45Å; K407-E410 IonicContact NZ-OE2 2.72Å; K407-E410 PolarHBondContact NZ-OE2 3.18Å; K407-H411 PolarHBondContact O-CD2 3.18Å
408L54.6Low54.1Low111 Ų111117.9 Ų117.958%0.58162%0.623SS**Hα-helixtrans-71.1-39.1174.9-170.264.4000111.1G404 A405 S406 E410 H411 I412G404-L408 WeakPolarHBondContact O-CB 3.36Å; G404-L408 PolarHBondContact O-N 3.02Å; A405-L408 PolarHBondContact O-N 3.02Å; S406-L408 VanDerWaalsContact C-N 3.31Å; S406-L408 PolarHBondContact O-N 3.42Å; L408-E410 VanDerWaalsContact C-N 3.3Å; L408-E410 PolarHBondContact O-N 3.25Å; L408-H411 PolarHBondContact O-N 2.93Å; L408-H411 VanDerWaalsContact O-N 3.1Å; L408-I412 HydrophobicContact CD1-CD1 4.34Å; L408-I412 HydrophobicContact CD2-CD1 4.39Å; L408-I412 HydrophobicContact CG-CD1 3.84Å; L408-I412 WeakPolarHBondContact O-CG1 3.46Å; L408-I412 PolarHBondContact O-N 2.99Å
409R58Low54.4Low210 Ų210121.1 Ų121.179%0.79264%0.635SS**Hα-helixtrans-68.7-23.9177-170.3174.1179.2-179.6-0.4113.7A405 S406 H411A405-R409 WeakPolarHBondContact O-CB 3.32Å; A405-R409 PolarHBondContact O-N 3.43Å; S406-R409 PolarHBondContact O-N 3.49Å; S406-R409 VanDerWaalsContact O-N 3.15Å; R409-H411 PolarHBondContact O-N 3.35Å
410E62.9Low54.4Low119 Ų119123.1 Ų123.156%0.55665%0.651SS**THydrogen-bonded Turntrans-68.4-16.7170-73.4167.3-154.100113.4S406 K407 L408S406-E410 WeakPolarHBondContact O-CG 3.35Å; S406-E410 PolarHBondContact O-N 2.93Å; K407-E410 WeakPolarHBondContact CE-OE2 3.45Å; K407-E410 IonicContact NZ-OE2 2.72Å; K407-E410 PolarHBondContact NZ-OE2 3.18Å; L408-E410 VanDerWaalsContact C-N 3.3Å; L408-E410 PolarHBondContact O-N 3.25Å
411H60.4Low54Low157 Ų157124.6 Ų124.673%0.72766%0.655SS**THydrogen-bonded Turntrans-119.16.9-176.8-70.1-63.2000114.6K407 L408 R409K407-H411 PolarHBondContact O-CD2 3.18Å; L408-H411 PolarHBondContact O-N 2.93Å; L408-H411 VanDerWaalsContact O-N 3.1Å; R409-H411 PolarHBondContact O-N 3.35Å
412I51.1Low53.4Low106 Ų106122.6 Ų122.654%0.54465%0.651SS.*  trans-110112.2174.8-67.1171.8000109.4L408L408-I412 HydrophobicContact CD1-CD1 4.34Å; L408-I412 HydrophobicContact CD2-CD1 4.39Å; L408-I412 HydrophobicContact CG-CD1 3.84Å; L408-I412 WeakPolarHBondContact O-CG1 3.46Å; L408-I412 PolarHBondContact O-N 2.99Å
413T43.6Very low53.1Low128 Ų128120.7 Ų120.779%0.78565%0.65SS**  trans-68.4125.9168.4-45.60000109.2
414P45.8Very low52.4Low103 Ų103118 Ų11867%0.66965%0.647SS**  trans-70.3132.3174.528.8-33.2000110.5
415E44.7Very low52Low167 Ų167119.9 Ų119.978%0.7865%0.651SS**  trans-110.997.4-179-170.7167.5-138.300110.2K417E415-K417 PolarHBondContact O-N 3.46Å
416D47.3Very low51.9Low162 Ų162120.8 Ų120.887%0.86665%0.651SS**  trans-76.746.3-173.5-81.9-52.8000114.2
417K47.1Very low51.8Low170 Ų170125.1 Ų125.174%0.73966%0.661SS**SBendtrans-135.8126.5169.3-81.6-173.7175.8175.70112.1E415 T419E415-K417 PolarHBondContact O-N 3.46Å; K417-T419 PolarHBondContact O-N 2.84Å
418P46.7Very low51.3Low137 Ų137122.9 Ų122.989%0.8966%0.66SS**  trans-72.397.3172.329.9-33000109.8
419T50.7Low50.9Low106 Ų106123.7 Ų123.765%0.6567%0.665SS**  trans-74.8130.6173.5-61.60000110.1K417 V421K417-T419 PolarHBondContact O-N 2.84Å; T419-V421 PolarHBondContact O-N 2.86Å
420D52.1Low50.3Low158 Ų158120.9 Ų120.985%0.84566%0.655SS**  trans-66126.4179.9-173.330.9000111.1
421V43.6Very low49.5Very low88 Ų88119.9 Ų119.953%0.53366%0.657SS.*  trans-104.1125-173.2-73.70000110.8T419T419-V421 PolarHBondContact O-N 2.86Å
422S50.2Low48.4Very low72 Ų72114.7 Ų114.750%0.50364%0.641SS.*  trans-59.9140.4-178.970.20000111.2T424 V425S422-T424 PolarHBondContact O-N 3.09Å; S422-V425 PolarHBondContact O-N 3.25Å
423P54.5Low48.2Very low98 Ų98117.8 Ų117.864%0.63665%0.651SS**Hα-helixtrans-64.1-14-165.223-34.7000114.5K427P423-K427 WeakPolarHBondContact O-CG 3.44Å; P423-K427 PolarHBondContact O-N 3.17Å
424T50.5Low48.3Very low105 Ų105117.3 Ų117.364%0.64464%0.64SS**Hα-helixtrans-66.6-39.8172.3-49.20000112S422 K427 S428S422-T424 PolarHBondContact O-N 3.09Å; T424-K427 PolarHBondContact O-N 3.28Å; T424-S428 PolarHBondContact O-N 3.2Å; T424-S428 VanDerWaalsContact O-N 3.13Å
425V50.8Low48Very low80 Ų80115.7 Ų115.749%0.48564%0.635SS.*Hα-helixtrans-74.2-36.2-178.9-174.40000110.9S422 K427 S428 L429S422-V425 PolarHBondContact O-N 3.25Å; V425-K427 VanDerWaalsContact C-N 3.27Å; V425-K427 PolarHBondContact O-N 2.69Å; V425-S428 PolarHBondContact O-N 3.36Å; V425-S428 PolarHBondContact O-OG 3Å; V425-L429 WeakPolarHBondContact O-CB 3.22Å; V425-L429 PolarHBondContact O-N 2.82Å
426T55.3Low47.9Very low77 Ų77112.3 Ų112.347%0.47263%0.626SS.*Hα-helixtrans-62.2-36.4173.1-40.70000111.6Y430T426-Y430 WeakPolarHBondContact O-CB 3.36Å; T426-Y430 PolarHBondContact O-N 3.01Å
427K54.8Low47.4Very low156 Ų156106.6 Ų106.668%0.67861%0.605SS**Hα-helixtrans-67.4-45.5174.1-77178.6177.9-179.30112.5P423 T424 V425 L429 Y430 V431P423-K427 WeakPolarHBondContact O-CG 3.44Å; P423-K427 PolarHBondContact O-N 3.17Å; T424-K427 PolarHBondContact O-N 3.28Å; V425-K427 VanDerWaalsContact C-N 3.27Å; V425-K427 PolarHBondContact O-N 2.69Å; K427-L429 VanDerWaalsContact C-N 3.34Å; K427-L429 PolarHBondContact O-N 2.98Å; K427-Y430 PolarHBondContact O-N 2.87Å; K427-V431 WeakPolarHBondContact O-CG2 3.19Å; K427-V431 PolarHBondContact O-N 3.27Å
428S52.1Low46.9Very low70 Ų70100.3 Ų100.349%0.4959%0.588SS.*Hα-helixtrans-66-36.4177.559.50000112.3T424 V425 V431 A432T424-S428 PolarHBondContact O-N 3.2Å; T424-S428 VanDerWaalsContact O-N 3.13Å; V425-S428 PolarHBondContact O-N 3.36Å; V425-S428 PolarHBondContact O-OG 3Å; S428-V431 PolarHBondContact O-N 2.99Å; S428-A432 WeakPolarHBondContact O-CB 3.23Å; S428-A432 PolarHBondContact O-N 2.88Å
429L46.9Very low46.1Very low128 Ų12897 Ų9767%0.6757%0.573SS**Hα-helixtrans-63.4-39.8173-164.277.8000112.3V425 K427 K433V425-L429 WeakPolarHBondContact O-CB 3.22Å; V425-L429 PolarHBondContact O-N 2.82Å; K427-L429 VanDerWaalsContact C-N 3.34Å; K427-L429 PolarHBondContact O-N 2.98Å; L429-K433 WeakPolarHBondContact O-CB 3.47Å; L429-K433 PolarHBondContact O-N 3.39Å
430Y45.1Very low45.4Very low152 Ų15296.5 Ų96.560%0.59657%0.569SS**Hα-helixtrans-67.7-41.6176.2-172.3-90.9000112.3T426 K427 K433 Q434T426-Y430 WeakPolarHBondContact O-CB 3.36Å; T426-Y430 PolarHBondContact O-N 3.01Å; K427-Y430 PolarHBondContact O-N 2.87Å; Y430-K433 PolarHBondContact O-N 2.91Å; Y430-Q434 HydrophobicContact CD1-CG 4.49Å; Y430-Q434 HydrophobicContact CE1-CG 4.21Å; Y430-Q434 PolarHBondContact O-N 2.91Å; Y430-Q434 VanDerWaalsContact O-N 3.07Å
431V46.5Very low44.4Very low97 Ų9796.4 Ų96.459%0.58856%0.561SS**Hα-helixtrans-64.7-41.8174.6171.10000111.3K427 S428 K433 Q434 A435K427-V431 WeakPolarHBondContact O-CG2 3.19Å; K427-V431 PolarHBondContact O-N 3.27Å; S428-V431 PolarHBondContact O-N 2.99Å; V431-K433 PolarHBondContact O-N 2.84Å; V431-Q434 WeakPolarHBondContact O-CB 3.31Å; V431-Q434 PolarHBondContact O-N 2.65Å; V431-A435 PolarHBondContact O-N 2.88Å
432A37.9Very low43.9Very low49 Ų4996.7 Ų96.741%0.40556%0.563SS.*Hα-helixtrans-60.6-43.617400000111.7S428 Q434 A435 T436S428-A432 WeakPolarHBondContact O-CB 3.23Å; S428-A432 PolarHBondContact O-N 2.88Å; A432-Q434 VanDerWaalsContact C-N 3.3Å; A432-Q434 PolarHBondContact O-N 3.32Å; A432-A435 PolarHBondContact O-N 3.02Å; A432-A435 VanDerWaalsContact O-N 3.14Å; A432-T436 PolarHBondContact O-N 3.15Å; A432-T436 PolarHBondContact O-OG1 3.15Å; A432-T436 VanDerWaalsContact O-OG1 3.11Å
433K47.1Very low43.2Very low170 Ų17096.6 Ų96.674%0.73956%0.562SS**Hα-helixtrans-61.8-34.4176.5-172.4175.6180178.70113L429 Y430 V431L429-K433 WeakPolarHBondContact O-CB 3.47Å; L429-K433 PolarHBondContact O-N 3.39Å; Y430-K433 PolarHBondContact O-N 2.91Å; V431-K433 PolarHBondContact O-N 2.84Å
434Q45.7Very low42.3Very low119 Ų11997.2 Ų97.256%0.55656%0.556SS**Hα-helixtrans-68.5-47.7170.6-73.9-75.13.100111.5Y430 V431 A432 T436 G437 G438Y430-Q434 HydrophobicContact CD1-CG 4.49Å; Y430-Q434 HydrophobicContact CE1-CG 4.21Å; Y430-Q434 PolarHBondContact O-N 2.91Å; Y430-Q434 VanDerWaalsContact O-N 3.07Å; V431-Q434 WeakPolarHBondContact O-CB 3.31Å; V431-Q434 PolarHBondContact O-N 2.65Å; A432-Q434 VanDerWaalsContact C-N 3.3Å; A432-Q434 PolarHBondContact O-N 3.32Å; Q434-T436 PolarHBondContact O-N 2.9Å; Q434-G437 PolarHBondContact O-N 3.32Å; Q434-G437 VanDerWaalsContact O-N 3.08Å; Q434-G438 PolarHBondContact O-N 3.04Å
435A38.4Very low41.7Very low68 Ų68100.1 Ų100.156%0.56256%0.561SS**Hα-helixtrans-60-44.9-177.900000113.1V431 A432 G437 G438V431-A435 PolarHBondContact O-N 2.88Å; A432-A435 PolarHBondContact O-N 3.02Å; A432-A435 VanDerWaalsContact O-N 3.14Å; A435-G437 PolarHBondContact O-N 3.41Å; A435-G438 PolarHBondContact O-N 3.38Å
436T42.5Very low41.2Very low97 Ų97102.2 Ų102.260%0.59557%0.569SS**Hα-helixtrans-64.5-27.7176.7-45.70000112.4A432 Q434 G438A432-T436 PolarHBondContact O-N 3.15Å; A432-T436 PolarHBondContact O-OG1 3.15Å; A432-T436 VanDerWaalsContact O-OG1 3.11Å; Q434-T436 PolarHBondContact O-N 2.9Å; T436-G438 VanDerWaalsContact C-N 3.29Å; T436-G438 PolarHBondContact O-N 3.25Å
437G37.2Very low40.5Very low42 Ų42102.5 Ų102.543%0.43357%0.57SS.*Hα-helixtrans-70.5-20.1173.800000114.5Q434 A435Q434-G437 PolarHBondContact O-N 3.32Å; Q434-G437 VanDerWaalsContact O-N 3.08Å; A435-G437 PolarHBondContact O-N 3.41Å
438G37Very low39.7Very low37 Ų3798.9 Ų98.938%0.38156%0.558SS.*Hα-helixtrans-77-48.6173.600000112.6Q434 A435 T436 V440 K441 V442Q434-G438 PolarHBondContact O-N 3.04Å; A435-G438 PolarHBondContact O-N 3.38Å; T436-G438 VanDerWaalsContact C-N 3.29Å; T436-G438 PolarHBondContact O-N 3.25Å; G438-V440 VanDerWaalsContact C-N 3.32Å; G438-V440 PolarHBondContact O-N 2.8Å; G438-K441 PolarHBondContact O-N 3.44Å; G438-V442 PolarHBondContact O-N 3.36Å
439A30Very low39.1Very low68 Ų6897.3 Ų97.356%0.56255%0.552SS**Hα-helixtrans-55.6-42.4-173.700000113.5K441 V442 S443A439-K441 VanDerWaalsContact C-N 3.29Å; A439-K441 PolarHBondContact O-N 2.94Å; A439-V442 PolarHBondContact O-N 2.93Å; A439-S443 PolarHBondContact O-OG 3.06Å
440V35.3Very low38.7Very low95 Ų9596.3 Ų96.358%0.57655%0.551SS**Hα-helixtrans-68.2-25.9-178.6-178.10000112.7G438 S443G438-V440 VanDerWaalsContact C-N 3.32Å; G438-V440 PolarHBondContact O-N 2.8Å; V440-S443 PolarHBondContact O-OG 2.78Å
441K31.4Very low38.5Very low157 Ų15792.3 Ų92.368%0.68355%0.545SS*.Hα-helixtrans-76.3-37.9178.3-74.6-174.3171.7-173.70112.7G438 A439 S443 Q444 F445G438-K441 PolarHBondContact O-N 3.44Å; A439-K441 VanDerWaalsContact C-N 3.29Å; A439-K441 PolarHBondContact O-N 2.94Å; K441-S443 VanDerWaalsContact C-N 3.33Å; K441-S443 PolarHBondContact O-N 3.28Å; K441-Q444 PolarHBondContact O-N 2.65Å; K441-F445 PolarHBondContact O-N 2.9Å
442V33.8Very low38.3Very low94 Ų9491.4 Ų91.457%0.5754%0.54SS*.Hα-helixtrans-65.9-38.1-179.1-176.90000111.1G438 A439 Q444 L446G438-V442 PolarHBondContact O-N 3.36Å; A439-V442 PolarHBondContact O-N 2.93Å; V442-Q444 VanDerWaalsContact C-N 3.33Å; V442-Q444 PolarHBondContact O-N 3.26Å; V442-L446 HydrophobicContact CG1-CD1 4.37Å; V442-L446 PolarHBondContact O-N 2.8Å
443S35.4Very low38.4Very low69 Ų6993.8 Ų93.848%0.48355%0.549SS..Hα-helixtrans-66.4-29.217645.10000114.3A439 V440 K441A439-S443 PolarHBondContact O-OG 3.06Å; V440-S443 PolarHBondContact O-OG 2.78Å; K441-S443 VanDerWaalsContact C-N 3.33Å; K441-S443 PolarHBondContact O-N 3.28Å
444Q34.8Very low38.1Very low111 Ų11188.7 Ų88.752%0.51954%0.538SS..Hα-helixtrans-77.1-47.1178.7-157.974.445.200110.7K441 V442 L446 V447 D448K441-Q444 PolarHBondContact O-N 2.65Å; V442-Q444 VanDerWaalsContact C-N 3.33Å; V442-Q444 PolarHBondContact O-N 3.26Å; Q444-L446 VanDerWaalsContact C-N 3.31Å; Q444-L446 PolarHBondContact O-N 2.79Å; Q444-V447 PolarHBondContact O-N 2.68Å; Q444-D448 PolarHBondContact O-N 3.04Å; Q444-D448 VanDerWaalsContact O-N 3.12Å
445F38.3Very low37.7Very low167 Ų16788.4 Ų88.473%0.73254%0.541SS*.Hα-helixtrans-59.4-36.6-175.9-124.3-92.7000113.7K441 V447 G449K441-F445 PolarHBondContact O-N 2.9Å; F445-V447 VanDerWaalsContact C-N 3.35Å; F445-G449 PolarHBondContact O-N 3.09Å; F445-G449 VanDerWaalsContact O-N 3.09Å
446L39.9Very low37.8Very low124 Ų12488.5 Ų88.565%0.64954%0.536SS*.Hα-helixtrans-68.9-31177.9-73.6167.7000113V442 Q444 V450V442-L446 HydrophobicContact CG1-CD1 4.37Å; V442-L446 PolarHBondContact O-N 2.8Å; Q444-L446 VanDerWaalsContact C-N 3.31Å; Q444-L446 PolarHBondContact O-N 2.79Å; L446-V450 WeakPolarHBondContact O-CG2 3.48Å
447V41.1Very low37.5Very low83 Ų8394.2 Ų94.250%0.50355%0.547SS..Hα-helixtrans-76.2-47.2177.1175.30000110.4Q444 F445 G449 V450 C451Q444-V447 PolarHBondContact O-N 2.68Å; F445-V447 VanDerWaalsContact C-N 3.35Å; V447-G449 VanDerWaalsContact C-N 3.31Å; V447-G449 PolarHBondContact O-N 3.31Å; V447-V450 PolarHBondContact O-N 3.34Å; V447-C451 PolarHBondContact O-N 3.4Å; V447-C451 VanDerWaalsContact O-N 3.15Å
448D36.6Very low37.6Very low80 Ų8096.2 Ų96.243%0.42856%0.555SS.*Hα-helixtrans-65.7-34.1-178-63.1-30.2000112Q444 C451 T452Q444-D448 PolarHBondContact O-N 3.04Å; Q444-D448 VanDerWaalsContact O-N 3.12Å; D448-C451 PolarHBondContact O-N 3.2Å; D448-T452 WeakPolarHBondContact O-CB 3.45Å; D448-T452 PolarHBondContact O-N 3.4Å; D448-T452 PolarHBondContact O-OG1 3.39Å
449G39.8Very low37.6Very low36 Ų36104.5 Ų104.537%0.37157%0.574SS.*Hα-helixtrans-61.5-44.8173.200000113.4F445 V447 T452 V453F445-G449 PolarHBondContact O-N 3.09Å; F445-G449 VanDerWaalsContact O-N 3.09Å; V447-G449 VanDerWaalsContact C-N 3.31Å; V447-G449 PolarHBondContact O-N 3.31Å; G449-T452 PolarHBondContact O-N 2.8Å; G449-V453 PolarHBondContact O-N 2.79Å; G449-V453 VanDerWaalsContact O-N 3.16Å
450V39.2Very low38.1Very low107 Ų107105.4 Ų105.465%0.64857%0.573SS**Hα-helixtrans-63.7-43177169.70000111.3L446 V447 T452 A454L446-V450 WeakPolarHBondContact O-CG2 3.48Å; V447-V450 PolarHBondContact O-N 3.34Å; V450-T452 VanDerWaalsContact C-N 3.28Å; V450-T452 PolarHBondContact O-N 3.14Å; V450-A454 PolarHBondContact O-N 2.91Å
451C41.3Very low38.6Very low69 Ų69103 Ų10347%0.46657%0.567SS.*Hα-helixtrans-66.4-27.7176.2-70.50000113.4V447 D448 N455V447-C451 PolarHBondContact O-N 3.4Å; V447-C451 VanDerWaalsContact O-N 3.15Å; D448-C451 PolarHBondContact O-N 3.2Å; C451-N455 PolarHBondContact O-ND2 2.88Å
452T40.9Very low39Very low77 Ų7799 Ų9947%0.47256%0.559SS.*Hα-helixtrans-75.7-43.6179.3-57.20000111.7D448 G449 V450 A454 N455 C456D448-T452 WeakPolarHBondContact O-CB 3.45Å; D448-T452 PolarHBondContact O-N 3.4Å; D448-T452 PolarHBondContact O-OG1 3.39Å; G449-T452 PolarHBondContact O-N 2.8Å; V450-T452 VanDerWaalsContact C-N 3.28Å; V450-T452 PolarHBondContact O-N 3.14Å; T452-A454 VanDerWaalsContact C-N 3.28Å; T452-A454 PolarHBondContact O-N 3.06Å; T452-N455 PolarHBondContact O-N 2.79Å; T452-C456 PolarHBondContact O-N 3.19Å; T452-C456 PolarHBondContact O-SG 2.99Å
453V40.3Very low39.1Very low100 Ų10098.2 Ų98.261%0.60656%0.558SS**Hα-helixtrans-54.5-43.2175.1170.90000111.8G449 N455 C456 W457G449-V453 PolarHBondContact O-N 2.79Å; G449-V453 VanDerWaalsContact O-N 3.16Å; V453-N455 VanDerWaalsContact C-N 3.32Å; V453-N455 PolarHBondContact O-N 3.12Å; V453-C456 PolarHBondContact O-N 3.02Å; V453-W457 PolarHBondContact O-N 3.25Å
454A40.7Very low39.3Very low62 Ų6298.8 Ų98.851%0.51256%0.561SS.*Hα-helixtrans-61-36.4177.600000113.4V450 T452 S458V450-A454 PolarHBondContact O-N 2.91Å; T452-A454 VanDerWaalsContact C-N 3.28Å; T452-A454 PolarHBondContact O-N 3.06Å; A454-S458 PolarHBondContact O-OG 3.34Å
455N37.4Very low39.7Very low114 Ų11499.3 Ų99.361%0.6156%0.563SS**Hα-helixtrans-80.7-31.5179.7-77.4-71.7000113.1C451 T452 V453 S458 R459C451-N455 PolarHBondContact O-ND2 2.88Å; T452-N455 PolarHBondContact O-N 2.79Å; V453-N455 VanDerWaalsContact C-N 3.32Å; V453-N455 PolarHBondContact O-N 3.12Å; N455-S458 PolarHBondContact O-N 3.24Å; N455-R459 PolarHBondContact O-N 3.21Å
456C40.4Very low39.8Very low69 Ų6998.7 Ų98.747%0.46656%0.56SS.*Hα-helixtrans-63.3-40.3176.3-73.30000112.3T452 V453 S458 R459 V460T452-C456 PolarHBondContact O-N 3.19Å; T452-C456 PolarHBondContact O-SG 2.99Å; V453-C456 PolarHBondContact O-N 3.02Å; C456-S458 VanDerWaalsContact C-N 3.35Å; C456-S458 PolarHBondContact O-N 3.2Å; C456-R459 PolarHBondContact O-N 3.41Å; C456-R459 VanDerWaalsContact O-N 3.1Å; C456-V460 WeakPolarHBondContact O-CG2 3.18Å; C456-V460 PolarHBondContact O-N 2.71Å
457W37.3Very low39.8Very low217 Ų21795.4 Ų95.482%0.82255%0.551SS**Hα-helixtrans-59.5-45.2178.6-155.4-75.4000112V453 R459 V460 G461V453-W457 PolarHBondContact O-N 3.25Å; W457-R459 PolarHBondContact O-N 3.08Å; W457-V460 PolarHBondContact O-N 3.02Å; W457-G461 PolarHBondContact O-N 3.27Å
458S38.6Very low39.6Very low84 Ų84101.3 Ų101.359%0.58756%0.564SS**Hα-helixtrans-58.2-32.4175.5-54.20000113.3A454 N455 C456A454-S458 PolarHBondContact O-OG 3.34Å; N455-S458 PolarHBondContact O-N 3.24Å; C456-S458 VanDerWaalsContact C-N 3.35Å; C456-S458 PolarHBondContact O-N 3.2Å
459R36.5Very low39.6Very low211 Ų211105.7 Ų105.780%0.79658%0.575SS**Hα-helixtrans-86.4-31.8-177.1-152.1177.9-163.7-167.75.2113.4N455 C456 W457N455-R459 PolarHBondContact O-N 3.21Å; C456-R459 PolarHBondContact O-N 3.41Å; C456-R459 VanDerWaalsContact O-N 3.1Å; W457-R459 PolarHBondContact O-N 3.08Å
460V41.8Very low39.6Very low87 Ų87110.5 Ų110.553%0.52759%0.588SS.*Hα-helixtrans-69.9-40.7177.8172.20000111.2C456 W457 S462 S463 C464C456-V460 WeakPolarHBondContact O-CG2 3.18Å; C456-V460 PolarHBondContact O-N 2.71Å; W457-V460 PolarHBondContact O-N 3.02Å; V460-S462 PolarHBondContact O-N 3.05Å; V460-S463 WeakPolarHBondContact O-CB 3.48Å; V460-S463 PolarHBondContact O-N 2.6Å; V460-C464 PolarHBondContact O-N 3.45Å
461G44.5Very low39.8Very low44 Ų44109.8 Ų109.845%0.45458%0.584SS.*Hα-helixtrans-51.8-55.1177.700000113W457 S463 C464 E465W457-G461 PolarHBondContact O-N 3.27Å; G461-S463 PolarHBondContact O-N 3.21Å; G461-S463 VanDerWaalsContact O-N 3.15Å; G461-C464 PolarHBondContact O-N 3.41Å; G461-E465 PolarHBondContact O-N 3.36Å
462S39.9Very low39.8Very low74 Ų74111.3 Ų111.352%0.51759%0.587SS.*Hα-helixtrans-66.3-13.9178.9-49.80000114.9V460V460-S462 PolarHBondContact O-N 3.05Å
463S36.8Very low40Very low77 Ų77111.3 Ų111.354%0.53859%0.59SS.*Hα-helixtrans-88.6-45.9177.8-160.40000111.4V460 G461 E465 K466 A467V460-S463 WeakPolarHBondContact O-CB 3.48Å; V460-S463 PolarHBondContact O-N 2.6Å; G461-S463 PolarHBondContact O-N 3.21Å; G461-S463 VanDerWaalsContact O-N 3.15Å; S463-E465 VanDerWaalsContact C-N 3.25Å; S463-E465 PolarHBondContact O-N 2.93Å; S463-K466 PolarHBondContact O-N 3.38Å; S463-A467 PolarHBondContact O-N 3.45Å; S463-A467 VanDerWaalsContact O-N 3.12Å
464C39.6Very low40.1Very low82 Ų82115.6 Ų115.655%0.55460%0.596SS**Hα-helixtrans-59.8-36.6174-690000112.1V460 G461 A467 R468V460-C464 PolarHBondContact O-N 3.45Å; G461-C464 PolarHBondContact O-N 3.41Å; C464-A467 PolarHBondContact O-N 3.45Å; C464-R468 PolarHBondContact O-N 2.79Å
465E42.3Very low40.6Very low122 Ų122117.3 Ų117.357%0.5760%0.6SS**Hα-helixtrans-63.8-45177-166.5167.7-166.100112.1G461 S463 A467 R468 W469G461-E465 PolarHBondContact O-N 3.36Å; S463-E465 VanDerWaalsContact C-N 3.25Å; S463-E465 PolarHBondContact O-N 2.93Å; E465-A467 PolarHBondContact O-N 3.19Å; E465-R468 WeakPolarHBondContact O-CB 3.19Å; E465-R468 PolarHBondContact O-N 2.79Å; E465-W469 VanDerWaalsContact O-CD1 3.26Å; E465-W469 PolarHBondContact O-N 3.18Å
466K40.9Very low40.8Very low153 Ų153117.7 Ų117.767%0.66560%0.597SS**Hα-helixtrans-64.2-37175.6-75.2-177.8177.4-178.60113.3S463 R468 Q470S463-K466 PolarHBondContact O-N 3.38Å; K466-R468 VanDerWaalsContact C-N 3.29Å; K466-R468 PolarHBondContact O-N 2.97Å; K466-Q470 PolarHBondContact O-N 3.39Å
467A39.8Very low41.2Very low55 Ų55119.5 Ų119.546%0.45560%0.599SS.*Hα-helixtrans-64.3-34.217700000112.5S463 C464 E465 T471S463-A467 PolarHBondContact O-N 3.45Å; S463-A467 VanDerWaalsContact O-N 3.12Å; C464-A467 PolarHBondContact O-N 3.45Å; E465-A467 PolarHBondContact O-N 3.19Å; A467-T471 PolarHBondContact O-N 3.02Å; A467-T471 PolarHBondContact O-OG1 2.93Å
468R37.3Very low41.8Very low208 Ų208114.4 Ų114.479%0.78558%0.584SS**Hα-helixtrans-64.9-50.2178.4-158.3172.9-165.9158.26.1111.7C464 E465 K466 Q470 T471 D472C464-R468 PolarHBondContact O-N 2.79Å; E465-R468 WeakPolarHBondContact O-CB 3.19Å; E465-R468 PolarHBondContact O-N 2.79Å; K466-R468 VanDerWaalsContact C-N 3.29Å; K466-R468 PolarHBondContact O-N 2.97Å; R468-Q470 PolarHBondContact O-N 3.21Å; R468-T471 PolarHBondContact O-N 3.4Å; R468-D472 PolarHBondContact O-N 3.18Å
469W35.4Very low42.2Very low171 Ų171112.2 Ų112.265%0.64858%0.575SS**Hα-helixtrans-60.8-38.7179.4-74.8107.6000114E465 T471 S473E465-W469 VanDerWaalsContact O-CD1 3.26Å; E465-W469 PolarHBondContact O-N 3.18Å; W469-T471 VanDerWaalsContact C-N 3.29Å; W469-T471 PolarHBondContact O-N 3.06Å; W469-S473 PolarHBondContact O-N 3.43Å; W469-S473 PolarHBondContact O-OG 3.12Å; W469-S473 VanDerWaalsContact O-OG 3.06Å
470Q40.4Very low42.6Very low138 Ų138107.4 Ų107.465%0.64556%0.562SS**Hα-helixtrans-69.4-26.3178.1-72.3-170.50.400113.6K466 R468K466-Q470 PolarHBondContact O-N 3.39Å; R468-Q470 PolarHBondContact O-N 3.21Å
471T43.3Very low43Very low92 Ų92110.8 Ų110.856%0.56457%0.565SS**Hα-helixtrans-76.6-45.2177.6-53.50000110.2A467 R468 W469 R474 V475A467-T471 PolarHBondContact O-N 3.02Å; A467-T471 PolarHBondContact O-OG1 2.93Å; R468-T471 PolarHBondContact O-N 3.4Å; W469-T471 VanDerWaalsContact C-N 3.29Å; W469-T471 PolarHBondContact O-N 3.06Å; T471-R474 PolarHBondContact O-N 3.36Å; T471-V475 PolarHBondContact O-N 3.29Å
472D42.5Very low43.2Very low100 Ų100116.1 Ų116.154%0.53557%0.572SS.*Hα-helixtrans-65.2-41.1-177.8-153.614.9000112.4R468 R474 V475 H476R468-D472 PolarHBondContact O-N 3.18Å; D472-R474 VanDerWaalsContact C-N 3.27Å; D472-R474 PolarHBondContact O-N 3.19Å; D472-V475 PolarHBondContact O-N 2.97Å; D472-V475 VanDerWaalsContact O-N 3.12Å; D472-H476 PolarHBondContact O-N 3.17Å
473S44.7Very low43.5Very low77 Ų77115.7 Ų115.754%0.53857%0.573SS.*Hα-helixtrans-58.7-35.3176.6-630000113.3W469 E477W469-S473 PolarHBondContact O-N 3.43Å; W469-S473 PolarHBondContact O-OG 3.12Å; W469-S473 VanDerWaalsContact O-OG 3.06Å; S473-E477 PolarHBondContact O-N 2.98Å
474R43Very low44.1Very low191 Ų191118.8 Ų118.872%0.72158%0.582SS**Hα-helixtrans-71.4-39.4176.7-70-176.6-177.8-173.92.5112.1T471 D472 H476 E477 E478T471-R474 PolarHBondContact O-N 3.36Å; D472-R474 VanDerWaalsContact C-N 3.27Å; D472-R474 PolarHBondContact O-N 3.19Å; R474-H476 VanDerWaalsContact C-N 3.33Å; R474-E477 PolarHBondContact O-N 3.46Å; R474-E478 PolarHBondContact O-N 3.24Å
475V49.5Very low44.5Very low98 Ų98122.4 Ų122.459%0.59459%0.591SS**Hα-helixtrans-65.3-39.6177.1176.50000110.6T471 D472 G479T471-V475 PolarHBondContact O-N 3.29Å; D472-V475 PolarHBondContact O-N 2.97Å; D472-V475 VanDerWaalsContact O-N 3.12Å; V475-G479 PolarHBondContact O-N 2.65Å
476H42.2Very low44.9Very low121 Ų121124.2 Ų124.256%0.5660%0.599SS**Hα-helixtrans-67.5-40.4177.7-161.852.6000112.8D472 R474 G479 Q480D472-H476 PolarHBondContact O-N 3.17Å; R474-H476 VanDerWaalsContact C-N 3.33Å; H476-G479 PolarHBondContact O-N 3.24Å; H476-Q480 PolarHBondContact NE2-NE2 3.1Å; H476-Q480 VanDerWaalsContact NE2-NE2 3.1Å; H476-Q480 PolarHBondContact O-N 3.02Å
477E49.7Very low45Very low108 Ų108120.3 Ų120.351%0.50560%0.602SS.*Hα-helixtrans-66-40.3178.4-151.7-157.4145.800112.6S473 R474 G479 R481S473-E477 PolarHBondContact O-N 2.98Å; R474-E477 PolarHBondContact O-N 3.46Å; E477-G479 VanDerWaalsContact C-N 3.35Å; E477-R481 PolarHBondContact O-N 2.72Å; E477-R481 IonicContact OE1-CZ 2.61Å; E477-R481 IonicContact OE1-NE 2.72Å; E477-R481 IonicContact OE1-NH2 2.69Å; E477-R481 PolarHBondContact OE1-NH2 3.45Å
478E49.7Very low45.3Very low109 Ų109128.9 Ų128.951%0.50962%0.623SS.*Hα-helixtrans-65.6-37.1172.4-75.4-157.5177.200112.7R474 R481 R482R474-E478 PolarHBondContact O-N 3.24Å; E478-R481 PolarHBondContact O-N 3.36Å; E478-R482 WeakPolarHBondContact O-CG 3.45Å; E478-R482 PolarHBondContact O-N 3.42Å; E478-R482 IonicContact OE2-CZ 3.54Å; E478-R482 IonicContact OE2-NH2 3.11Å; E478-R482 PolarHBondContact OE2-NH2 3.44Å
479G47.3Very low45.6Very low39 Ų39122.8 Ų122.840%0.40261%0.612SS.*Hα-helixtrans-60.6-45.5176.700000112.6V475 H476 E477 R481 R482 A483V475-G479 PolarHBondContact O-N 2.65Å; H476-G479 PolarHBondContact O-N 3.24Å; E477-G479 VanDerWaalsContact C-N 3.35Å; G479-R481 PolarHBondContact O-N 3.3Å; G479-R482 PolarHBondContact O-N 3.19Å; G479-A483 PolarHBondContact O-N 3.04Å; G479-A483 VanDerWaalsContact O-N 3.1Å
480Q44.6Very low45.8Very low110 Ų110123.7 Ų123.751%0.51462%0.623SS.*Hα-helixtrans-64.5-37179.1-70.9-171.22.400112.8H476 A483 L484H476-Q480 PolarHBondContact NE2-NE2 3.1Å; H476-Q480 VanDerWaalsContact NE2-NE2 3.1Å; H476-Q480 PolarHBondContact O-N 3.02Å; Q480-A483 PolarHBondContact O-N 3.35Å; Q480-L484 PolarHBondContact O-N 3.05Å
481R50.2Low45.4Very low158 Ų158120.9 Ų120.960%0.59663%0.631SS**Hα-helixtrans-61.8-46.6175.8-68.4179.1-169.2-175.34.7111.8E477 E478 G479 A483 L484 E485E477-R481 PolarHBondContact O-N 2.72Å; E477-R481 IonicContact OE1-CZ 2.61Å; E477-R481 IonicContact OE1-NE 2.72Å; E477-R481 IonicContact OE1-NH2 2.69Å; E477-R481 PolarHBondContact OE1-NH2 3.45Å; E478-R481 PolarHBondContact O-N 3.36Å; G479-R481 PolarHBondContact O-N 3.3Å; R481-A483 PolarHBondContact O-N 3.45Å; R481-L484 PolarHBondContact O-N 3.35Å; R481-E485 PolarHBondContact O-N 3.46Å
482R49Very low44.8Very low156 Ų156120.7 Ų120.759%0.58965%0.647SS**Hα-helixtrans-66.9-34.5179.8-60.4178-155.6-165.87.6112.6E478 G479 E485 H486E478-R482 WeakPolarHBondContact O-CG 3.45Å; E478-R482 PolarHBondContact O-N 3.42Å; E478-R482 IonicContact OE2-CZ 3.54Å; E478-R482 IonicContact OE2-NH2 3.11Å; E478-R482 PolarHBondContact OE2-NH2 3.44Å; G479-R482 PolarHBondContact O-N 3.19Å; R482-E485 PolarHBondContact O-N 3.48Å; R482-H486 PolarHBondContact O-N 3.3Å
483A45.6Very low44.2Very low65 Ų65119.3 Ų119.354%0.53766%0.657SS.*Hα-helixtrans-66.3-38.5176.400000112.8G479 Q480 R481 E485 H486 G487G479-A483 PolarHBondContact O-N 3.04Å; G479-A483 VanDerWaalsContact O-N 3.1Å; Q480-A483 PolarHBondContact O-N 3.35Å; R481-A483 PolarHBondContact O-N 3.45Å; A483-E485 VanDerWaalsContact C-N 3.31Å; A483-E485 PolarHBondContact O-N 3.37Å; A483-H486 PolarHBondContact O-N 3.44Å; A483-G487 PolarHBondContact O-N 3.1Å
484L48.5Very low43.6Very low142 Ų142121.7 Ų121.774%0.74367%0.672SS**Hα-helixtrans-68.6-26.8179.1-106.9161000113.6Q480 R481Q480-L484 PolarHBondContact O-N 3.05Å; R481-L484 PolarHBondContact O-N 3.35Å
485E49.5Very low43.3Very low158 Ų158121.2 Ų121.274%0.73868%0.678SS**Hα-helixtrans-76.7-40.8173.2-66.6-177.3138.200111.9R481 R482 A483R481-E485 PolarHBondContact O-N 3.46Å; R482-E485 PolarHBondContact O-N 3.48Å; A483-E485 VanDerWaalsContact C-N 3.31Å; A483-E485 PolarHBondContact O-N 3.37Å
486H49.1Very low42.3Very low160 Ų160128.2 Ų128.274%0.74169%0.694SS**Hα-helixtrans-71.9-31.1177.9-99.4-92.5000114R482 A483 R488 S489R482-H486 PolarHBondContact O-N 3.3Å; A483-H486 PolarHBondContact O-N 3.44Å; H486-R488 PolarHBondContact O-N 3Å; H486-S489 PolarHBondContact O-N 3.49Å
487G43.6Very low42Very low70 Ų70128.1 Ų128.172%0.72271%0.707SS**THydrogen-bonded Turntrans-67.12.6-175.900000116.7A483A483-G487 PolarHBondContact O-N 3.1Å
488R45.4Very low41.5Very low236 Ų236127.6 Ų127.689%0.89172%0.721SS**THydrogen-bonded Turntrans-101.15.8178-154-179.4-71.7-149-0.6114H486H486-R488 PolarHBondContact O-N 3Å
489S45.2Very low40.8Very low80 Ų80133.2 Ų133.256%0.55974%0.737SS**SBendtrans-126.1141.3175.4-162.80000112.4H486H486-S489 PolarHBondContact O-N 3.49Å
490H38.1Very low40.3Very low190 Ų190139.9 Ų139.988%0.8876%0.762SS**  trans64.2132-175-58.6-84.5000116
491G33Very low39.8Very low79 Ų79145.7 Ų145.781%0.81478%0.779SS**  trans-137.1163.6177.300000111.7
492G30.3Very low39.3Very low87 Ų87145.5 Ų145.590%0.89779%0.79SS**  trans91.1140.5-170.200000112.2
493G29.5Very low38.4Very low72 Ų72144.1 Ų144.174%0.74280%0.803SS**  cis178.3126.8-700000113
494C33.3Very low37.8Very low126 Ų126149.2 Ų149.285%0.85182%0.82SS**  trans37.194.5157.6-580000119.6
495Q35.9Very low37.2Very low181 Ų181151.3 Ų151.385%0.84683%0.826SS**  173.8122.5120.4-97.6176.450.100111.6
496W28.2Very low36.3Very low245 Ų245155.4 Ų155.493%0.92884%0.835SS**  trans179.349.8148.2-100.3110.6000110.7
497S37Very low35.5Very low120 Ų120158.7 Ų158.784%0.83985%0.847SS**  trans-11760.1-169.759.70000112.7
498A38.4Very low34.9Very low96 Ų96158.3 Ų158.379%0.79384%0.843SS**SBendtrans-147.615-169.300000117.2
499R34Very low34.1Very low228 Ų228153 Ų15386%0.8684%0.842SS**SBendtrans-128.6-14179.7-110.6176.8174.6171.5-4.2117.7R501R499-R501 VanDerWaalsContact C-N 3.33Å; R499-R501 PolarHBondContact O-N 3.05Å
500I37.3Very low33.4Very low178 Ų178154.5 Ų154.591%0.91385%0.853SS**THydrogen-bonded Turntrans-84.275.5172.9-50.9176.7000109.4
501R35.3Very low33.3Very low233 Ų233155 Ų15588%0.87988%0.876SS**THydrogen-bonded Turntrans-1612.3168.6-140-176.3-71.6-163.8-0.6117.4R499R499-R501 VanDerWaalsContact C-N 3.33Å; R499-R501 PolarHBondContact O-N 3.05Å
502N38.3Very low33.4Very low154 Ų154158.9 Ų158.982%0.82488%0.879SS**SBendtrans-124.815-164.7-115.551.1000116.5
503C30.3Very low33.5Very low127 Ų127162.6 Ų162.686%0.85888%0.878SS**SBendtrans-124.411.1177.3-60.60000113.5E505C503-E505 PolarHBondContact O-N 2.98Å
504L33.4Very low33.7Very low172 Ų172167.7 Ų167.790%0.90189%0.885SS**SBendtrans-102.545-177.2-145.2164.1000110.8
505E36.4Very low33.8Very low186 Ų186170.1 Ų170.187%0.86989%0.887SS**SBendtrans-150.915.9-176.8-144.4169.1-127.800114.1C503C503-E505 PolarHBondContact O-N 2.98Å
506W29.7Very low33.6Very low243 Ų243169.4 Ų169.492%0.9289%0.89SS**  trans-120.2-3.7178-111.460.3000115.6G508W506-G508 VanDerWaalsContact C-N 3.28Å; W506-G508 PolarHBondContact O-N 3.37Å
507F32.7Very low34Very low230 Ų230164.4 Ų164.4100%1.00989%0.887SS**  trans-79.378.1166.7-111.6-86.6000109.2
508G30.5Very low33.8Very low61 Ų61167.6 Ų167.663%0.62989%0.891SS**  trans-163.624.3-159.700000120.1W506W506-G508 VanDerWaalsContact C-N 3.28Å; W506-G508 PolarHBondContact O-N 3.37Å
509S29.5Very low33.4Very low125 Ų125173.1 Ų173.187%0.87490%0.898SS**  trans-167142.3153.4-86.20000114.1
510S29.2Very low33.4Very low111 Ų111168.5 Ų168.578%0.77690%0.901SS**  trans-54.6165.1170.8-36.90000113.6
511C37.8Very low33Very low202 Ų202167.6 Ų167.6100%1.36590%0.9SS**  cis-143.2025.4-69.60000112.7

Retrieved 511 of 511 residues in 818.3 ms (Link to these results)

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