A0A3Q0KUV3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KUV3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 254 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low57.2Low237 Ų237112.6 Ų112.6100%1.16758%0.58SS**  0100.30-77.9178.3175.200107F3M1-F3 PolarHBondContact O-N 3.42Å
2T37.3Very low58.4Low142 Ų142105.2 Ų105.287%0.87154%0.54SS*.  trans-75113.4175.5-430000106.7
3F40.1Very low59.9Low136 Ų136103 Ų10360%0.59653%0.53SS*.  trans-55.7143.8174.5-86.6-86.6000109.6M1 S5 G218M1-F3 PolarHBondContact O-N 3.42Å; F3-S5 PolarHBondContact O-N 2.98Å; F3-S5 PolarHBondContact O-OG 2.86Å; F3-G218 WeakPolarHBondContact CD1-O 3.32Å; F3-G218 WeakPolarHBondContact CE1-O 3.4Å
4P53.1Low61.3Low74 Ų74105.1 Ų105.148%0.48153%0.528SS..  trans-72.984.3179.331.3-31.8000108.1D6 R7P4-D6 PolarHBondContact O-N 3.06Å; P4-R7 HydrophobicContact CB-CG 4.27Å; P4-R7 HydrophobicContact CG-CG 4.45Å; P4-R7 PolarHBondContact O-N 2.64Å; P4-R7 VanDerWaalsContact O-N 3.07Å
5S60.5Low62.3Low79 Ų79101.4 Ų101.455%0.55251%0.508SS*.Hα-helixtrans-54-27.9-179.5-63.20000111.4F3 L8 Q9F3-S5 PolarHBondContact O-N 2.98Å; F3-S5 PolarHBondContact O-OG 2.86Å; S5-L8 PolarHBondContact O-N 3.39Å; S5-Q9 WeakPolarHBondContact O-CB 3.29Å; S5-Q9 PolarHBondContact O-N 3.22Å
6D64.5Low63.7Low135 Ų13597.2 Ų97.272%0.72249%0.488SS*.Hα-helixtrans-66.9-38.1179.5-51.5-26.4000113.1P4 L8 L10P4-D6 PolarHBondContact O-N 3.06Å; D6-L8 VanDerWaalsContact C-N 3.34Å; D6-L10 VanDerWaalsContact O-CB 3.28Å; D6-L10 WeakPolarHBondContact O-CB 3.43Å; D6-L10 PolarHBondContact O-N 3.41Å
7R62.8Low64.8Low183 Ų18399.6 Ų99.669%0.69150%0.497SS*.Hα-helixtrans-70.3-36.2179.2-68.4-173.670.4-1700.9111.5P4 L11P4-R7 HydrophobicContact CB-CG 4.27Å; P4-R7 HydrophobicContact CG-CG 4.45Å; P4-R7 PolarHBondContact O-N 2.64Å; P4-R7 VanDerWaalsContact O-N 3.07Å; R7-L11 WeakPolarHBondContact O-CB 3.3Å; R7-L11 PolarHBondContact O-N 3.37Å
8L59.9Low65.8Low65 Ų6599 Ų9934%0.3449%0.491SS..Hα-helixtrans-68.6-47.8177.4179.963.2000110.6S5 D6 L10 L11 F12 F219S5-L8 PolarHBondContact O-N 3.39Å; D6-L8 VanDerWaalsContact C-N 3.34Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 3.32Å; L8-L11 PolarHBondContact O-N 3.16Å; L8-F12 HydrophobicContact CD1-CD2 3.84Å; L8-F12 HydrophobicContact CD1-CE2 3.3Å; L8-F12 HydrophobicContact CD1-CZ 3.95Å; L8-F12 HydrophobicContact CD2-CE2 3.96Å; L8-F12 HydrophobicContact CG-CD2 3.73Å; L8-F12 HydrophobicContact CG-CE2 3.41Å; L8-F12 VanDerWaalsContact CG-CE2 3.41Å; L8-F12 HydrophobicContact CG-CZ 4.47Å; L8-F12 WeakPolarHBondContact O-CD2 3.08Å; L8-F12 PolarHBondContact O-N 2.83Å; L8-F219 HydrophobicContact CD1-CD1 3.77Å; L8-F219 HydrophobicContact CD1-CE1 3.1Å; L8-F219 HydrophobicContact CD1-CZ 3.83Å
9Q68.9Low66.6Low42 Ų4294.6 Ų94.620%0.19647%0.469CS..Hα-helixtrans-58.9-45.3176-172.462.961.600110.9S5 L11 F12 D13S5-Q9 WeakPolarHBondContact O-CB 3.29Å; S5-Q9 PolarHBondContact O-N 3.22Å; Q9-L11 VanDerWaalsContact C-N 3.34Å; Q9-L11 PolarHBondContact O-N 3.06Å; Q9-F12 PolarHBondContact O-N 3.21Å; Q9-D13 PolarHBondContact NE2-OD1 2.79Å; Q9-D13 WeakPolarHBondContact O-CB 3.44Å; Q9-D13 PolarHBondContact O-N 3.2Å
10L73.4Confident67.7Low121 Ų12193.4 Ų93.463%0.63447%0.467SS*.Hα-helixtrans-61.6-40.1177.5-173.468.8000112.8D6 L8 R14D6-L10 VanDerWaalsContact O-CB 3.28Å; D6-L10 WeakPolarHBondContact O-CB 3.43Å; D6-L10 PolarHBondContact O-N 3.41Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 3.32Å; L10-R14 WeakPolarHBondContact O-CB 3.44Å; L10-R14 PolarHBondContact O-N 3.35Å
11L72.4Confident68.5Low25 Ų2595.3 Ų95.313%0.13147%0.472CS..Hα-helixtrans-63.5-46.5175.9-177.265.6000110.5R7 L8 Q9 R14 H15 L216 F219R7-L11 WeakPolarHBondContact O-CB 3.3Å; R7-L11 PolarHBondContact O-N 3.37Å; L8-L11 PolarHBondContact O-N 3.16Å; Q9-L11 VanDerWaalsContact C-N 3.34Å; Q9-L11 PolarHBondContact O-N 3.06Å; L11-R14 PolarHBondContact O-N 3.22Å; L11-H15 WeakPolarHBondContact CD1-NE2 3.4Å; L11-H15 PolarHBondContact O-CD2 3.01Å; L11-H15 PolarHBondContact O-N 3.38Å; L11-L216 HydrophobicContact CD2-CD2 3.96Å; L11-F219 HydrophobicContact CD2-CE1 4.12Å; L11-F219 HydrophobicContact CD2-CZ 3.82Å
12F71.7Confident70.4Confident23 Ų2384.2 Ų84.210%0.10142%0.418CS..Hα-helixtrans-62.4-44.9176.5-76.4-55.2000112.6L8 Q9 R14 H15 L16 L45 L49 V227L8-F12 HydrophobicContact CD1-CD2 3.84Å; L8-F12 HydrophobicContact CD1-CE2 3.3Å; L8-F12 HydrophobicContact CD1-CZ 3.95Å; L8-F12 HydrophobicContact CD2-CE2 3.96Å; L8-F12 HydrophobicContact CG-CD2 3.73Å; L8-F12 HydrophobicContact CG-CE2 3.41Å; L8-F12 VanDerWaalsContact CG-CE2 3.41Å; L8-F12 HydrophobicContact CG-CZ 4.47Å; L8-F12 WeakPolarHBondContact O-CD2 3.08Å; L8-F12 PolarHBondContact O-N 2.83Å; Q9-F12 PolarHBondContact O-N 3.21Å; F12-R14 VanDerWaalsContact C-N 3.29Å; F12-R14 PolarHBondContact O-N 2.95Å; F12-H15 PolarHBondContact O-N 3.19Å; F12-L16 VanDerWaalsContact O-CB 3.32Å; F12-L16 WeakPolarHBondContact O-CB 3.31Å; F12-L16 PolarHBondContact O-N 2.96Å; F12-L45 HydrophobicContact CD1-CD1 3.79Å; F12-L45 HydrophobicContact CD1-CG 4.5Å; F12-L45 HydrophobicContact CE1-CD1 3.87Å; F12-L49 HydrophobicContact CB-CD1 3.73Å; F12-L49 HydrophobicContact CD2-CD1 3.82Å; F12-L49 HydrophobicContact CG-CD1 3.88Å; F12-V227 HydrophobicContact CE1-CG2 4.06Å
13D77.9Confident72.7Confident77 Ų7781.3 Ų81.341%0.41239%0.391SS..Hα-helixtrans-59.8-43177.6-67.2-18.5000110.4Q9 L16 E17Q9-D13 PolarHBondContact NE2-OD1 2.79Å; Q9-D13 WeakPolarHBondContact O-CB 3.44Å; Q9-D13 PolarHBondContact O-N 3.2Å; D13-L16 PolarHBondContact O-N 3.4Å; D13-E17 WeakPolarHBondContact O-CB 3.44Å; D13-E17 PolarHBondContact O-N 3.46Å
14R79.5Confident74.5Confident132 Ų13277.3 Ų77.350%0.49838%0.38SS..Hα-helixtrans-64.8-40.8176.2-173.3178.7-179.8-173-0.7112.7L10 L11 F12 F18L10-R14 WeakPolarHBondContact O-CB 3.44Å; L10-R14 PolarHBondContact O-N 3.35Å; L11-R14 PolarHBondContact O-N 3.22Å; F12-R14 VanDerWaalsContact C-N 3.29Å; F12-R14 PolarHBondContact O-N 2.95Å; R14-F18 WeakPolarHBondContact O-CB 3.46Å; R14-F18 PolarHBondContact O-N 3.02Å
15H76.4Confident75.4Confident50 Ų5076.5 Ų76.523%0.23137%0.369CS..Hα-helixtrans-68.4-39.5176.1-80.5-67.7000112L11 F12 F18 M19 I231L11-H15 WeakPolarHBondContact CD1-NE2 3.4Å; L11-H15 PolarHBondContact O-CD2 3.01Å; L11-H15 PolarHBondContact O-N 3.38Å; F12-H15 PolarHBondContact O-N 3.19Å; H15-F18 PolarHBondContact O-N 3.19Å; H15-M19 WeakPolarHBondContact O-CG 3.34Å; H15-M19 PolarHBondContact O-N 2.67Å; H15-I231 VanDerWaalsContact CE1-CD1 3.42Å; H15-I231 WeakPolarHBondContact CE1-CD1 3.21Å
16L83.4Confident76.1Confident34 Ų3473 Ų7318%0.17834%0.344CS..Hα-helixtrans-63.7-46.2175.7-176.364.4000110.8F12 D13 F18 M19 V20 I42 L45F12-L16 VanDerWaalsContact O-CB 3.32Å; F12-L16 WeakPolarHBondContact O-CB 3.31Å; F12-L16 PolarHBondContact O-N 2.96Å; D13-L16 PolarHBondContact O-N 3.4Å; L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 PolarHBondContact O-N 3.08Å; L16-M19 HydrophobicContact CD1-CE 4.15Å; L16-M19 PolarHBondContact O-N 3.46Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.21Å; L16-I42 HydrophobicContact CD1-CG1 4.41Å; L16-I42 HydrophobicContact CD1-CG2 3.9Å; L16-L45 HydrophobicContact CB-CD2 4.23Å; L16-L45 HydrophobicContact CD1-CD2 4.41Å
17E83.8Confident76.8Confident138 Ų13869.5 Ų69.565%0.64533%0.325SS*.Hα-helixtrans-55.9-45.9174.2-174.1-171.9165.100111.2D13 V20 K21D13-E17 WeakPolarHBondContact O-CB 3.44Å; D13-E17 PolarHBondContact O-N 3.46Å; E17-V20 PolarHBondContact O-N 3.48Å; E17-K21 WeakPolarHBondContact O-CB 3.5Å; E17-K21 PolarHBondContact O-N 3Å
18F81.4Confident77.4Confident89 Ų8966.9 Ų66.939%0.3933%0.325SS..Hα-helixtrans-60.9-46176.3173.4-99.9000112.3R14 H15 L16 K21 L22 I234R14-F18 WeakPolarHBondContact O-CB 3.46Å; R14-F18 PolarHBondContact O-N 3.02Å; H15-F18 PolarHBondContact O-N 3.19Å; L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 PolarHBondContact O-N 3.08Å; F18-K21 PolarHBondContact O-N 2.79Å; F18-L22 HydrophobicContact CE1-CD2 4.4Å; F18-L22 WeakPolarHBondContact O-CB 3.48Å; F18-L22 PolarHBondContact O-N 3.36Å; F18-I234 HydrophobicContact CE1-CD1 4.19Å; F18-I234 HydrophobicContact CE1-CG2 3.82Å; F18-I234 HydrophobicContact CZ-CG2 4.07Å
19M82.3Confident78.1Confident15 Ų1568.1 Ų68.17%0.07433%0.329CS..Hα-helixtrans-64.9-40.1177.8-71.2-171.2-60.100112.4H15 L16 K21 L22 R23 V38 L41 I42 L45H15-M19 WeakPolarHBondContact O-CG 3.34Å; H15-M19 PolarHBondContact O-N 2.67Å; L16-M19 HydrophobicContact CD1-CE 4.15Å; L16-M19 PolarHBondContact O-N 3.46Å; M19-K21 VanDerWaalsContact C-N 3.3Å; M19-K21 PolarHBondContact O-N 3.24Å; M19-L22 PolarHBondContact O-N 3Å; M19-R23 WeakPolarHBondContact O-CB 3.45Å; M19-R23 PolarHBondContact O-N 3.15Å; M19-V38 HydrophobicContact CB-CG1 4.18Å; M19-V38 WeakPolarHBondContact O-CG1 3.32Å; M19-L41 HydrophobicContact SD-CB 3.97Å; M19-I42 HydrophobicContact CB-CD1 4.18Å; M19-I42 HydrophobicContact CB-CG1 3.76Å; M19-I42 HydrophobicContact CE-CG1 4.17Å; M19-I42 HydrophobicContact SD-CG1 4.43Å; M19-L45 HydrophobicContact CE-CB 4.02Å; M19-L45 HydrophobicContact CE-CD2 3.26Å; M19-L45 HydrophobicContact CE-CG 4.23Å
20V87.4Confident78.8Confident70 Ų7073.3 Ų73.342%0.42435%0.353SS..Hα-helixtrans-61.9-40.8175.11700000110.8L16 E17 S24 I42L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.21Å; E17-V20 PolarHBondContact O-N 3.48Å; V20-S24 PolarHBondContact O-N 3.19Å; V20-S24 PolarHBondContact O-OG 3.01Å; V20-I42 HydrophobicContact CG2-CD1 4.13Å
21K84.5Confident78.6Confident134 Ų13469 Ų6958%0.58333%0.333SS*.Hα-helixtrans-66.8-43.2175.6-170.8173.6-177.1174.90112.1E17 F18 M19 S24 Q25E17-K21 WeakPolarHBondContact O-CB 3.5Å; E17-K21 PolarHBondContact O-N 3Å; F18-K21 PolarHBondContact O-N 2.79Å; M19-K21 VanDerWaalsContact C-N 3.3Å; M19-K21 PolarHBondContact O-N 3.24Å; K21-S24 WeakPolarHBondContact O-CB 3.41Å; K21-S24 PolarHBondContact O-N 3.02Å; K21-Q25 WeakPolarHBondContact O-CG 3.33Å; K21-Q25 PolarHBondContact O-N 3.04Å
22L77.7Confident78.7Confident4 Ų474 Ų742%0.02135%0.354CS..Hα-helixtrans-61.3-46.7176.4179.560.9000111.5F18 M19 S24 Q25 F26 V38 I234 F245F18-L22 HydrophobicContact CE1-CD2 4.4Å; F18-L22 WeakPolarHBondContact O-CB 3.48Å; F18-L22 PolarHBondContact O-N 3.36Å; M19-L22 PolarHBondContact O-N 3Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 3.29Å; L22-Q25 WeakPolarHBondContact O-CB 3.45Å; L22-Q25 PolarHBondContact O-N 3.28Å; L22-Q25 VanDerWaalsContact O-N 3.15Å; L22-F26 HydrophobicContact CD1-CD2 4.34Å; L22-F26 HydrophobicContact CD1-CE2 3.75Å; L22-F26 HydrophobicContact CD1-CZ 3.88Å; L22-F26 HydrophobicContact CD2-CE2 4.02Å; L22-F26 HydrophobicContact CG-CD2 4.07Å; L22-F26 HydrophobicContact CG-CE2 3.57Å; L22-F26 HydrophobicContact CG-CZ 4.19Å; L22-F26 WeakPolarHBondContact O-CD2 3.39Å; L22-F26 PolarHBondContact O-N 3.47Å; L22-V38 HydrophobicContact CD2-CG2 4.18Å; L22-V38 HydrophobicContact CG-CG2 4.4Å; L22-I234 HydrophobicContact CD2-CG2 4Å; L22-F245 HydrophobicContact CD1-CE1 3.5Å; L22-F245 HydrophobicContact CD1-CE2 4.47Å; L22-F245 HydrophobicContact CD1-CZ 3.36Å
23R84.3Confident78.6Confident81 Ų8175.8 Ų75.831%0.30637%0.373SS..Hα-helixtrans-55-45.6173.4-175.3-160.1-178.7-114.84.2111.5M19 Q25 F26 L27 V38 D39 I42M19-R23 WeakPolarHBondContact O-CB 3.45Å; M19-R23 PolarHBondContact O-N 3.15Å; R23-Q25 VanDerWaalsContact C-N 3.33Å; R23-Q25 PolarHBondContact O-N 3.48Å; R23-F26 PolarHBondContact O-N 3.43Å; R23-L27 HydrophobicContact CG-CD1 4.46Å; R23-L27 WeakPolarHBondContact O-CG 3.4Å; R23-L27 PolarHBondContact O-N 3.02Å; R23-V38 HydrophobicContact CB-CB 4.35Å; R23-V38 HydrophobicContact CB-CG1 3.82Å; R23-D39 VanDerWaalsContact CD-OD1 3.29Å; R23-D39 WeakPolarHBondContact CD-OD1 3.41Å; R23-D39 IonicContact CZ-OD1 2.74Å; R23-D39 IonicContact CZ-OD2 3.36Å; R23-D39 IonicContact NE-OD1 2.64Å; R23-D39 PolarHBondContact NE-OD1 3.19Å; R23-D39 IonicContact NE-OD2 2.64Å; R23-D39 PolarHBondContact NE-OD2 3.3Å; R23-D39 IonicContact NH2-OD1 3.14Å; R23-D39 PolarHBondContact NH2-OD1 2.85Å; R23-D39 IonicContact NH2-OD2 3.41Å; R23-D39 PolarHBondContact NH2-OD2 2.91Å; R23-I42 HydrophobicContact CB-CD1 4.4Å
24S79Confident77.9Confident52 Ų5276.6 Ų76.636%0.36437%0.371SS..Hα-helixtrans-61.1-43.3178.7-560000111.1V20 K21 L22 F26 L27 D28V20-S24 PolarHBondContact O-N 3.19Å; V20-S24 PolarHBondContact O-OG 3.01Å; K21-S24 WeakPolarHBondContact O-CB 3.41Å; K21-S24 PolarHBondContact O-N 3.02Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 3.29Å; S24-F26 VanDerWaalsContact C-N 3.35Å; S24-F26 PolarHBondContact O-N 3.48Å; S24-L27 PolarHBondContact O-N 3.07Å; S24-D28 PolarHBondContact O-N 3.36Å
25Q72.8Confident77.8Confident57 Ų5770.4 Ų70.427%0.26635%0.348SS..Hα-helixtrans-61.5-40174.9-71.2-178.1-1.700112.8K21 L22 R23 L27 D28 H29K21-Q25 WeakPolarHBondContact O-CG 3.33Å; K21-Q25 PolarHBondContact O-N 3.04Å; L22-Q25 WeakPolarHBondContact O-CB 3.45Å; L22-Q25 PolarHBondContact O-N 3.28Å; L22-Q25 VanDerWaalsContact O-N 3.15Å; R23-Q25 VanDerWaalsContact C-N 3.33Å; R23-Q25 PolarHBondContact O-N 3.48Å; Q25-L27 VanDerWaalsContact C-N 3.35Å; Q25-D28 PolarHBondContact O-N 3.21Å; Q25-H29 PolarHBondContact O-N 2.84Å; Q25-H29 VanDerWaalsContact O-N 3.16Å; Q25-H29 PolarHBondContact O-ND1 3.28Å
26F75.1Confident77.9Confident5 Ų571.1 Ų71.12%0.02236%0.359CS..Hα-helixtrans-64.4-39175.1-72.9-45.9000112.5L22 R23 S24 H29 Q30 C31 Y34 A35 V38 W237 L244L22-F26 HydrophobicContact CD1-CD2 4.34Å; L22-F26 HydrophobicContact CD1-CE2 3.75Å; L22-F26 HydrophobicContact CD1-CZ 3.88Å; L22-F26 HydrophobicContact CD2-CE2 4.02Å; L22-F26 HydrophobicContact CG-CD2 4.07Å; L22-F26 HydrophobicContact CG-CE2 3.57Å; L22-F26 HydrophobicContact CG-CZ 4.19Å; L22-F26 WeakPolarHBondContact O-CD2 3.39Å; L22-F26 PolarHBondContact O-N 3.47Å; R23-F26 PolarHBondContact O-N 3.43Å; S24-F26 VanDerWaalsContact C-N 3.35Å; S24-F26 PolarHBondContact O-N 3.48Å; F26-H29 PolarHBondContact O-N 2.98Å; F26-Q30 PolarHBondContact O-N 3.4Å; F26-C31 HydrophobicContact CB-CB 4.04Å; F26-C31 HydrophobicContact CD1-CB 3.83Å; F26-C31 HydrophobicContact CG-CB 4.33Å; F26-C31 WeakPolarHBondContact O-CB 3.45Å; F26-C31 PolarHBondContact O-N 3.03Å; F26-Y34 HydrophobicContact CD1-CG 4.45Å; F26-Y34 HydrophobicContact CE1-CG 4.15Å; F26-Y34 HydrophobicContact CZ-CG 4.32Å; F26-A35 HydrophobicContact CB-CB 3.87Å; F26-V38 HydrophobicContact CD2-CG2 3.91Å; F26-V38 HydrophobicContact CE2-CG2 3.68Å; F26-W237 HydrophobicContact CZ-CE3 4.41Å; F26-L244 HydrophobicContact CE1-CB 4.47Å; F26-L244 HydrophobicContact CE1-CD1 4.01Å; F26-L244 HydrophobicContact CE1-CD2 4.01Å; F26-L244 HydrophobicContact CE1-CG 4.37Å; F26-L244 HydrophobicContact CZ-CD1 4.45Å
27L78.2Confident77.6Confident62 Ų6273.9 Ų73.933%0.32537%0.371SS..Hα-helixtrans-65.6-41.4176-68.9173.3000111.8R23 S24 Q25 H29 Q30 F32 A35R23-L27 HydrophobicContact CG-CD1 4.46Å; R23-L27 WeakPolarHBondContact O-CG 3.4Å; R23-L27 PolarHBondContact O-N 3.02Å; S24-L27 PolarHBondContact O-N 3.07Å; Q25-L27 VanDerWaalsContact C-N 3.35Å; L27-H29 PolarHBondContact O-N 2.84Å; L27-Q30 PolarHBondContact O-N 2.92Å; L27-F32 HydrophobicContact CD2-CD1 4Å; L27-F32 HydrophobicContact CD2-CE1 4.15Å; L27-A35 HydrophobicContact CD2-CB 3.8Å; L27-A35 HydrophobicContact CG-CB 4.05Å
28D75.1Confident77.4Confident129 Ų12967.4 Ų67.469%0.6934%0.34SS*.Hα-helixtrans-61.2-33.9177.1-70.6-22000112.2S24 Q25S24-D28 PolarHBondContact O-N 3.36Å; Q25-D28 PolarHBondContact O-N 3.21Å
29H75Confident77.6Confident91 Ų9165.7 Ų65.742%0.42134%0.335SS..THydrogen-bonded Turntrans-90.87.1177.5-66.781.2000113.8Q25 F26 L27 C31Q25-H29 PolarHBondContact O-N 2.84Å; Q25-H29 VanDerWaalsContact O-N 3.16Å; Q25-H29 PolarHBondContact O-ND1 3.28Å; F26-H29 PolarHBondContact O-N 2.98Å; L27-H29 PolarHBondContact O-N 2.84Å; H29-C31 PolarHBondContact O-N 2.69Å
30Q83.1Confident77.7Confident150 Ų15068.8 Ų68.870%0.70136%0.355SS*.THydrogen-bonded Turntrans58.424.7-176.6-56.1175.743.100113.9F26 L27 F32F26-Q30 PolarHBondContact O-N 3.4Å; L27-Q30 PolarHBondContact O-N 2.92Å; Q30-F32 HydrophobicContact CB-CE2 3.89Å; Q30-F32 HydrophobicContact CB-CZ 4.23Å; Q30-F32 HydrophobicContact CG-CE2 4.43Å; Q30-F32 HydrophobicContact CG-CZ 4.4Å; Q30-F32 VanDerWaalsContact O-CD2 3.3Å; Q30-F32 WeakPolarHBondContact O-CD2 3.43Å; Q30-F32 PolarHBondContact O-N 3.49Å
31C68.7Low77.5Confident32 Ų3266.3 Ų66.322%0.21634%0.339CS..  trans-82.158.4176.7-71.10000111F26 H29 A33 Y34 A35F26-C31 HydrophobicContact CB-CB 4.04Å; F26-C31 HydrophobicContact CD1-CB 3.83Å; F26-C31 HydrophobicContact CG-CB 4.33Å; F26-C31 WeakPolarHBondContact O-CB 3.45Å; F26-C31 PolarHBondContact O-N 3.03Å; H29-C31 PolarHBondContact O-N 2.69Å; C31-A33 VanDerWaalsContact C-N 3.28Å; C31-A33 PolarHBondContact O-N 2.85Å; C31-Y34 HydrophobicContact CB-CD2 4.03Å; C31-Y34 PolarHBondContact O-N 3.41Å; C31-A35 PolarHBondContact O-N 3.09Å
32F76.1Confident77.5Confident129 Ų12960.9 Ų60.957%0.56632%0.316SS*.Hα-helixtrans-60.2-32.7-170.6-61.4-66.9000114.5L27 Q30 A35 S36L27-F32 HydrophobicContact CD2-CD1 4Å; L27-F32 HydrophobicContact CD2-CE1 4.15Å; Q30-F32 HydrophobicContact CB-CE2 3.89Å; Q30-F32 HydrophobicContact CB-CZ 4.23Å; Q30-F32 HydrophobicContact CG-CE2 4.43Å; Q30-F32 HydrophobicContact CG-CZ 4.4Å; Q30-F32 VanDerWaalsContact O-CD2 3.3Å; Q30-F32 WeakPolarHBondContact O-CD2 3.43Å; Q30-F32 PolarHBondContact O-N 3.49Å; F32-A35 PolarHBondContact O-N 3.34Å; F32-S36 WeakPolarHBondContact O-CB 3.39Å; F32-S36 PolarHBondContact O-N 3.45Å; F32-S36 PolarHBondContact O-OG 3.47Å
33A69.8Low77.9Confident60 Ų6064 Ų6450%0.49634%0.338SS..Hα-helixtrans-59.8-53175.900000110.9C31 A35 S36 E37C31-A33 VanDerWaalsContact C-N 3.28Å; C31-A33 PolarHBondContact O-N 2.85Å; A33-A35 PolarHBondContact O-N 2.98Å; A33-S36 PolarHBondContact O-N 3.27Å; A33-S36 PolarHBondContact O-OG 3.12Å; A33-E37 PolarHBondContact O-N 3.08Å; A33-E37 VanDerWaalsContact O-N 3.08Å
34Y62.7Low77.8Confident95 Ų9564 Ų6437%0.37334%0.342SS..Hα-helixtrans-65.2-38.7177.9-61.9-72.3000112.8F26 C31 S36 E37 V38 W237F26-Y34 HydrophobicContact CD1-CG 4.45Å; F26-Y34 HydrophobicContact CE1-CG 4.15Å; F26-Y34 HydrophobicContact CZ-CG 4.32Å; C31-Y34 HydrophobicContact CB-CD2 4.03Å; C31-Y34 PolarHBondContact O-N 3.41Å; Y34-S36 VanDerWaalsContact C-N 3.29Å; Y34-S36 PolarHBondContact O-N 3.39Å; Y34-E37 PolarHBondContact O-N 3.02Å; Y34-V38 WeakPolarHBondContact O-CG2 3.42Å; Y34-V38 PolarHBondContact O-N 3.34Å; Y34-W237 HydrophobicContact CD1-CE3 4.33Å; Y34-W237 HydrophobicContact CD1-CH2 4.24Å; Y34-W237 HydrophobicContact CD1-CZ3 4Å
35A76.1Confident77.6Confident2 Ų262.4 Ų62.42%0.01733%0.329CS..Hα-helixtrans-59.3-41.4174.300000111.8F26 L27 C31 F32 A33 V38 D39F26-A35 HydrophobicContact CB-CB 3.87Å; L27-A35 HydrophobicContact CD2-CB 3.8Å; L27-A35 HydrophobicContact CG-CB 4.05Å; C31-A35 PolarHBondContact O-N 3.09Å; F32-A35 PolarHBondContact O-N 3.34Å; A33-A35 PolarHBondContact O-N 2.98Å; A35-V38 PolarHBondContact O-N 3.24Å; A35-D39 PolarHBondContact O-N 2.96Å
36S79.2Confident77.9Confident65 Ų6564.4 Ų64.446%0.45534%0.338SS..Hα-helixtrans-67.5-35.4177.7750000112.9F32 A33 Y34 D39 V40F32-S36 WeakPolarHBondContact O-CB 3.39Å; F32-S36 PolarHBondContact O-N 3.45Å; F32-S36 PolarHBondContact O-OG 3.47Å; A33-S36 PolarHBondContact O-N 3.27Å; A33-S36 PolarHBondContact O-OG 3.12Å; Y34-S36 VanDerWaalsContact C-N 3.29Å; Y34-S36 PolarHBondContact O-N 3.39Å; S36-D39 WeakPolarHBondContact O-CB 3.39Å; S36-D39 PolarHBondContact O-N 2.87Å; S36-V40 PolarHBondContact O-N 3.39Å
37E78Confident78.1Confident92 Ų9268 Ų6843%0.4336%0.36SS..Hα-helixtrans-65.5-46.2173.8-70.8-178.1-135.600110.7A33 Y34 D39 V40 L41 W237A33-E37 PolarHBondContact O-N 3.08Å; A33-E37 VanDerWaalsContact O-N 3.08Å; Y34-E37 PolarHBondContact O-N 3.02Å; E37-D39 VanDerWaalsContact C-N 3.27Å; E37-D39 PolarHBondContact O-N 2.85Å; E37-V40 WeakPolarHBondContact O-CB 3.43Å; E37-V40 PolarHBondContact O-N 2.67Å; E37-V40 VanDerWaalsContact O-N 3.09Å; E37-L41 WeakPolarHBondContact O-CG 3.41Å; E37-L41 PolarHBondContact O-N 2.98Å; E37-L41 VanDerWaalsContact O-N 3.08Å; E37-W237 HydrophobicContact CB-CH2 3.97Å; E37-W237 WeakPolarHBondContact OE2-CH2 3.23Å; E37-W237 VanDerWaalsContact OE2-CZ2 3.23Å; E37-W237 WeakPolarHBondContact OE2-CZ2 3.09Å
38V78.3Confident77.6Confident1 Ų167.2 Ų67.21%0.00636%0.355CS..Hα-helixtrans-61.5-35.3175.4178.70000111.8M19 L22 R23 F26 Y34 A35 V40 L41 I42M19-V38 HydrophobicContact CB-CG1 4.18Å; M19-V38 WeakPolarHBondContact O-CG1 3.32Å; L22-V38 HydrophobicContact CD2-CG2 4.18Å; L22-V38 HydrophobicContact CG-CG2 4.4Å; R23-V38 HydrophobicContact CB-CB 4.35Å; R23-V38 HydrophobicContact CB-CG1 3.82Å; F26-V38 HydrophobicContact CD2-CG2 3.91Å; F26-V38 HydrophobicContact CE2-CG2 3.68Å; Y34-V38 WeakPolarHBondContact O-CG2 3.42Å; Y34-V38 PolarHBondContact O-N 3.34Å; A35-V38 PolarHBondContact O-N 3.24Å; V38-V40 VanDerWaalsContact C-N 3.3Å; V38-V40 PolarHBondContact O-N 3.34Å; V38-L41 WeakPolarHBondContact O-CB 3.34Å; V38-L41 PolarHBondContact O-N 3.3Å; V38-L41 VanDerWaalsContact O-N 3.12Å; V38-I42 HydrophobicContact CG1-CD1 3.83Å; V38-I42 HydrophobicContact CG1-CG1 4.17Å; V38-I42 WeakPolarHBondContact O-CG1 3.49Å; V38-I42 PolarHBondContact O-N 3.37Å
39D85.5Confident77.3Confident54 Ų5463 Ų6329%0.28933%0.333SS..Hα-helixtrans-60-38.9173.9-89.8-30.4000112.7R23 A35 S36 E37 S43R23-D39 VanDerWaalsContact CD-OD1 3.29Å; R23-D39 WeakPolarHBondContact CD-OD1 3.41Å; R23-D39 IonicContact CZ-OD1 2.74Å; R23-D39 IonicContact CZ-OD2 3.36Å; R23-D39 IonicContact NE-OD1 2.64Å; R23-D39 PolarHBondContact NE-OD1 3.19Å; R23-D39 IonicContact NE-OD2 2.64Å; R23-D39 PolarHBondContact NE-OD2 3.3Å; R23-D39 IonicContact NH2-OD1 3.14Å; R23-D39 PolarHBondContact NH2-OD1 2.85Å; R23-D39 IonicContact NH2-OD2 3.41Å; R23-D39 PolarHBondContact NH2-OD2 2.91Å; A35-D39 PolarHBondContact O-N 2.96Å; S36-D39 WeakPolarHBondContact O-CB 3.39Å; S36-D39 PolarHBondContact O-N 2.87Å; E37-D39 VanDerWaalsContact C-N 3.27Å; E37-D39 PolarHBondContact O-N 2.85Å; D39-S43 WeakPolarHBondContact O-CB 3.39Å; D39-S43 PolarHBondContact O-N 3.46Å; D39-S43 PolarHBondContact O-OG 3.29Å
40V85.8Confident77.1Confident79 Ų7961.8 Ų61.848%0.47934%0.338SS..Hα-helixtrans-64.8-44.4172.8177.30000110.3S36 E37 V38 I42 S43 E44S36-V40 PolarHBondContact O-N 3.39Å; E37-V40 WeakPolarHBondContact O-CB 3.43Å; E37-V40 PolarHBondContact O-N 2.67Å; E37-V40 VanDerWaalsContact O-N 3.09Å; V38-V40 VanDerWaalsContact C-N 3.3Å; V38-V40 PolarHBondContact O-N 3.34Å; V40-I42 PolarHBondContact O-N 2.98Å; V40-S43 PolarHBondContact O-N 3.01Å; V40-E44 HydrophobicContact CG1-CG 4.46Å; V40-E44 WeakPolarHBondContact O-CG 3.42Å; V40-E44 PolarHBondContact O-N 3.4Å
41L81.6Confident76.5Confident19 Ų1960.8 Ų60.810%0.09934%0.338CS..Hα-helixtrans-60.4-45.9178.1-52.8-176.3000112M19 E37 V38 S43 E44 L45M19-L41 HydrophobicContact SD-CB 3.97Å; E37-L41 WeakPolarHBondContact O-CG 3.41Å; E37-L41 PolarHBondContact O-N 2.98Å; E37-L41 VanDerWaalsContact O-N 3.08Å; V38-L41 WeakPolarHBondContact O-CB 3.34Å; V38-L41 PolarHBondContact O-N 3.3Å; V38-L41 VanDerWaalsContact O-N 3.12Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 2.96Å; L41-E44 PolarHBondContact O-N 2.92Å; L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 PolarHBondContact O-N 3.31Å
42I85.1Confident75.9Confident19 Ų1962.5 Ų62.510%0.09736%0.361CS..Hα-helixtrans-59.6-46.7177.8-72.9168.7000110L16 M19 V20 R23 V38 V40 L45 H46L16-I42 HydrophobicContact CD1-CG1 4.41Å; L16-I42 HydrophobicContact CD1-CG2 3.9Å; M19-I42 HydrophobicContact CB-CD1 4.18Å; M19-I42 HydrophobicContact CB-CG1 3.76Å; M19-I42 HydrophobicContact CE-CG1 4.17Å; M19-I42 HydrophobicContact SD-CG1 4.43Å; V20-I42 HydrophobicContact CG2-CD1 4.13Å; R23-I42 HydrophobicContact CB-CD1 4.4Å; V38-I42 HydrophobicContact CG1-CD1 3.83Å; V38-I42 HydrophobicContact CG1-CG1 4.17Å; V38-I42 WeakPolarHBondContact O-CG1 3.49Å; V38-I42 PolarHBondContact O-N 3.37Å; V40-I42 PolarHBondContact O-N 2.98Å; I42-L45 PolarHBondContact O-N 3.37Å; I42-H46 PolarHBondContact O-CD2 3.13Å; I42-H46 VanDerWaalsContact O-CD2 3.28Å; I42-H46 PolarHBondContact O-N 3.49Å
43S85.6Confident74.8Confident70 Ų7064.2 Ų64.249%0.4936%0.364SS..Hα-helixtrans-62.4-46.3-180-59.70000111.6D39 V40 L41 L45 H46 T47D39-S43 WeakPolarHBondContact O-CB 3.39Å; D39-S43 PolarHBondContact O-N 3.46Å; D39-S43 PolarHBondContact O-OG 3.29Å; V40-S43 PolarHBondContact O-N 3.01Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 2.96Å; S43-L45 PolarHBondContact O-N 3.37Å; S43-H46 WeakPolarHBondContact O-CB 3.35Å; S43-H46 PolarHBondContact O-N 3.15Å; S43-T47 WeakPolarHBondContact O-CG2 3.29Å; S43-T47 PolarHBondContact O-N 2.91Å
44E82.1Confident73.3Confident80 Ų8065.1 Ų65.137%0.37437%0.367SS..Hα-helixtrans-61.5-44177-75.6-178.1-17400112V40 L41 H46 T47 E48 R230V40-E44 HydrophobicContact CG1-CG 4.46Å; V40-E44 WeakPolarHBondContact O-CG 3.42Å; V40-E44 PolarHBondContact O-N 3.4Å; L41-E44 PolarHBondContact O-N 2.92Å; E44-H46 VanDerWaalsContact C-N 3.3Å; E44-H46 PolarHBondContact O-N 3.45Å; E44-T47 WeakPolarHBondContact CA-OG1 3.4Å; E44-T47 PolarHBondContact O-N 2.96Å; E44-T47 VanDerWaalsContact O-N 3.07Å; E44-T47 PolarHBondContact O-OG1 2.95Å; E44-E48 PolarHBondContact O-N 3.15Å; E44-R230 IonicContact OE2-CZ 3.42Å; E44-R230 IonicContact OE2-NH1 3.96Å; E44-R230 PolarHBondContact OE2-NH1 3.49Å; E44-R230 IonicContact OE2-NH2 2.86Å; E44-R230 PolarHBondContact OE2-NH2 3.42Å
45L75.8Confident72Confident20 Ų2066 Ų6611%0.10538%0.384CS..Hα-helixtrans-60.8-41.3177.6-170.867.4000111.7F12 L16 M19 L41 I42 S43 T47 E48 L49F12-L45 HydrophobicContact CD1-CD1 3.79Å; F12-L45 HydrophobicContact CD1-CG 4.5Å; F12-L45 HydrophobicContact CE1-CD1 3.87Å; L16-L45 HydrophobicContact CB-CD2 4.23Å; L16-L45 HydrophobicContact CD1-CD2 4.41Å; M19-L45 HydrophobicContact CE-CB 4.02Å; M19-L45 HydrophobicContact CE-CD2 3.26Å; M19-L45 HydrophobicContact CE-CG 4.23Å; L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 PolarHBondContact O-N 3.31Å; I42-L45 PolarHBondContact O-N 3.37Å; S43-L45 PolarHBondContact O-N 3.37Å; L45-T47 VanDerWaalsContact C-N 3.34Å; L45-T47 PolarHBondContact O-N 2.74Å; L45-E48 PolarHBondContact O-N 3.46Å; L45-L49 WeakPolarHBondContact O-CB 2.95Å; L45-L49 PolarHBondContact O-N 2.79Å
46H79.5Confident70.2Confident99 Ų9972.9 Ų72.946%0.45842%0.415SS..Hα-helixtrans-60.8-42.1173.6-88.7-68000112.3I42 S43 E44 L49 A50I42-H46 PolarHBondContact O-CD2 3.13Å; I42-H46 VanDerWaalsContact O-CD2 3.28Å; I42-H46 PolarHBondContact O-N 3.49Å; S43-H46 WeakPolarHBondContact O-CB 3.35Å; S43-H46 PolarHBondContact O-N 3.15Å; E44-H46 VanDerWaalsContact C-N 3.3Å; E44-H46 PolarHBondContact O-N 3.45Å; H46-L49 PolarHBondContact O-N 2.64Å; H46-A50 WeakPolarHBondContact O-CB 3.39Å; H46-A50 PolarHBondContact O-N 3.24Å
47T79.4Confident68.1Low79 Ų7976.2 Ų76.249%0.48543%0.428SS..Hα-helixtrans-66.9-39.617861.50000112.5S43 E44 L45 A50 N51S43-T47 WeakPolarHBondContact O-CG2 3.29Å; S43-T47 PolarHBondContact O-N 2.91Å; E44-T47 WeakPolarHBondContact CA-OG1 3.4Å; E44-T47 PolarHBondContact O-N 2.96Å; E44-T47 VanDerWaalsContact O-N 3.07Å; E44-T47 PolarHBondContact O-OG1 2.95Å; L45-T47 VanDerWaalsContact C-N 3.34Å; L45-T47 PolarHBondContact O-N 2.74Å; T47-A50 PolarHBondContact O-N 2.82Å; T47-N51 WeakPolarHBondContact O-CB 3.34Å; T47-N51 PolarHBondContact O-N 2.78Å; T47-N51 PolarHBondContact O-ND2 2.96Å; T47-N51 VanDerWaalsContact O-ND2 3.13Å
48E67.8Low66.2Low47 Ų4776.9 Ų76.922%0.2244%0.443CS..Hα-helixtrans-65.2-41.2177.2-168.6171.7174.300111E44 L45 N51 G52 C223 H226E44-E48 PolarHBondContact O-N 3.15Å; L45-E48 PolarHBondContact O-N 3.46Å; E48-N51 PolarHBondContact O-N 3.21Å; E48-G52 PolarHBondContact O-N 2.56Å; E48-C223 PolarHBondContact OE1-SG 3.02Å; E48-H226 IonicContact OE2-CD2 3.38Å; E48-H226 PolarHBondContact OE2-CD2 3.08Å; E48-H226 IonicContact OE2-NE2 3.92Å
49L68Low64.4Low40 Ų4082 Ų8221%0.20948%0.479CS..Hα-helixtrans-66.6-37.6176.7-166.4128.1000112.7F12 L45 H46 R53F12-L49 HydrophobicContact CB-CD1 3.73Å; F12-L49 HydrophobicContact CD2-CD1 3.82Å; F12-L49 HydrophobicContact CG-CD1 3.88Å; L45-L49 WeakPolarHBondContact O-CB 2.95Å; L45-L49 PolarHBondContact O-N 2.79Å; H46-L49 PolarHBondContact O-N 2.64Å; L49-R53 PolarHBondContact O-N 2.92Å
50A71.8Confident62.2Low66 Ų6685.5 Ų85.555%0.54550%0.502SS..Hα-helixtrans-65.2-41.5174.300000111.5H46 T47 R53H46-A50 WeakPolarHBondContact O-CB 3.39Å; H46-A50 PolarHBondContact O-N 3.24Å; T47-A50 PolarHBondContact O-N 2.82Å; A50-R53 PolarHBondContact O-N 3.46Å
51N68.6Low60Low128 Ų12887 Ų8768%0.68452%0.516SS*.Hα-helixtrans-70.9-31.3179.9-67.7-24.2000112.7T47 E48 R53T47-N51 WeakPolarHBondContact O-CB 3.34Å; T47-N51 PolarHBondContact O-N 2.78Å; T47-N51 PolarHBondContact O-ND2 2.96Å; T47-N51 VanDerWaalsContact O-ND2 3.13Å; E48-N51 PolarHBondContact O-N 3.21Å; N51-R53 VanDerWaalsContact C-N 3.28Å; N51-R53 PolarHBondContact O-N 3.39Å
52G56.7Low58.3Low68 Ų6896 Ų9670%0.70155%0.549SS*.THydrogen-bonded Turntrans-74.7-10.9176.200000115E48E48-G52 PolarHBondContact O-N 2.56Å
53R54.3Low56.1Low165 Ų165101.8 Ų101.862%0.62358%0.58SS**THydrogen-bonded Turntrans-93.319.6-174.9-97.9-171.8-169.5-131.55.6115.2L49 A50 N51 P55L49-R53 PolarHBondContact O-N 2.92Å; A50-R53 PolarHBondContact O-N 3.46Å; N51-R53 VanDerWaalsContact C-N 3.28Å; N51-R53 PolarHBondContact O-N 3.39Å; R53-P55 WeakPolarHBondContact O-CD 3.44Å
54S36.8Very low54.6Low80 Ų80105 Ų10556%0.55959%0.591SS**  trans-90.7108176161.50000112.6
55P36.8Very low53.3Low113 Ų113107.9 Ų107.973%0.73461%0.609SS**  trans-102.967.9157.938.3-33.1000110.5R53R53-P55 WeakPolarHBondContact O-CD 3.44Å
56H37.7Very low51.8Low147 Ų147116.1 Ų116.168%0.68165%0.647SS**SBendtrans-176.2123.7153.7-122.5-86.1000111.1S58H56-S58 PolarHBondContact O-N 2.79Å
57D34.6Very low50.4Low135 Ų135117.8 Ų117.872%0.72266%0.664SS**  trans33.279.3149.3-59.9-41.6000118.1
58S37.9Very low49Very low106 Ų106118 Ų11874%0.74167%0.674SS**  trans-115.965.7155.1-73.20000109.5H56 T60H56-S58 PolarHBondContact O-N 2.79Å; S58-T60 PolarHBondContact O-N 3.36Å
59S42Very low48.3Very low109 Ų109122.4 Ų122.476%0.76270%0.703SS**  trans-60.392.7151.9-71.10000107.2S61S59-S61 PolarHBondContact O-N 2.81Å
60T37.8Very low47.4Very low126 Ų126125.4 Ų125.477%0.77373%0.728SS**  trans-62.589.5159.4-63.40000106.4S58 R62S58-T60 PolarHBondContact O-N 3.36Å; T60-R62 PolarHBondContact O-N 3.2Å
61S39.9Very low46.4Very low110 Ų110131.5 Ų131.577%0.76975%0.745SS**  trans-57.991.716050.20000106.7S59 N63S59-S61 PolarHBondContact O-N 2.81Å; S61-N63 PolarHBondContact O-N 3.41Å
62R45.7Very low45.3Very low210 Ų210132.8 Ų132.879%0.79275%0.752SS**  trans-68.293.7165.3-175.3179.1-70.4159.7-1.8106.3T60 L64T60-R62 PolarHBondContact O-N 3.2Å; R62-L64 PolarHBondContact O-N 2.96Å
63N38.4Very low45.3Very low139 Ų139135.2 Ų135.274%0.74375%0.754SS**  trans-28.8119.5150.3160.1-30.9000109.6S61S61-N63 PolarHBondContact O-N 3.41Å
64L54.8Low44.8Very low138 Ų138133.4 Ų133.472%0.72376%0.763SS**  trans-138.1121.7151-68.9177.3000107.2R62R62-L64 PolarHBondContact O-N 2.96Å
65N54.2Low45.5Very low141 Ų141133 Ų13375%0.75477%0.772SS**  trans6389.5156.270.715.5000122.1
66E44.3Very low46Very low193 Ų193133.7 Ų133.790%0.90278%0.778SS**  trans-39.4126.2139.2-175.8-176.3133.800113.5
67T50.5Low46.3Very low134 Ų134133 Ų13382%0.82279%0.786SS**  trans-161.9121.1152.9-70.20000112
68A50Low47Very low84 Ų84132 Ų13269%0.69479%0.79SS**  trans62.9104.1154.700000119.4
69V53.5Low47.4Very low138 Ų138135 Ų13584%0.83680%0.797SS**  91.9124.968.9162.80000113.9
70S49.4Very low47.7Very low104 Ų104135.9 Ų135.973%0.72780%0.803SS**  trans97.790.8169.1-37.90000114.5
71Q51.2Low47.9Very low194 Ų194137.9 Ų137.991%0.90781%0.807SS**  53.7101.175.5-60.2-126.9-26.900114.3
72D44.1Very low48.8Very low155 Ų155138.7 Ų138.783%0.82981%0.813SS**  -171168.5108.9-145.3-12.6000111.6
73T57.8Low49.2Very low119 Ų119136.9 Ų136.973%0.7381%0.813SS**  trans-92.5158.9-142.1-51.20000114.3
74P44.6Very low50Low126 Ų126137.1 Ų137.182%0.81882%0.82SS**  trans-96.2149.6-164.736.2-30.3000114.7
75G50.5Low50.3Low72 Ų72135 Ų13574%0.74282%0.816SS**  trans-154.2111.3173.400000113.7
76C46.8Very low50.2Low128 Ų128133.8 Ų133.887%0.86582%0.816SS**  trans38.9131.6159-63.60000122.2
77P44.5Very low50.4Low132 Ų132131 Ų13186%0.85781%0.811SS**  trans-94.9139.518036.2-30.1000113.3
78S49.9Very low51Low114 Ų114130.5 Ų130.580%0.79781%0.808SS**  trans-148.4108.1164.357.80000112.5
79L45.9Very low50.7Low169 Ų169133 Ų13389%0.88581%0.809SS**  trans17.5118.3147.2-52177.5000118.7
80S47.4Very low51Low127 Ų127132 Ų13289%0.88881%0.809SS**  -167.4118.6128.4-83.50000110.8
81I42.3Very low51.4Low168 Ų168134.2 Ų134.286%0.86281%0.812SS**  trans-69.7139167.547171.8000109.7
82S58.5Low51.7Low128 Ų128130.9 Ų130.990%0.89581%0.808SS**  trans-151.8116.4152.1-770000109
83E55.1Low51.7Low171 Ų171129.1 Ų129.180%0.79980%0.802SS**  trans-73.3139.6177-169.9179.1117.500110.2
84T53.9Low51.6Low145 Ų145131.2 Ų131.289%0.8981%0.808SS**  trans-161.1126.7153.6-78.90000109
85C61.1Low51.7Low94 Ų94130.2 Ų130.264%0.63580%0.801SS**  trans-92.2-165-166.3-46.90000112.6
86P52.3Low51.3Low115 Ų115135.4 Ų135.475%0.74781%0.806SS**  -124.8143.3-114.633.4-12.6000113.8
87V48.4Very low51.4Low133 Ų133137.6 Ų137.681%0.80681%0.808SS**  trans-150.8124.6178.41760000112.4
88V64Low51.3Low124 Ų124135.2 Ų135.275%0.75280%0.8SS**  trans68.698.7149.2174.70000115.9
89D43.3Very low51Low137 Ų137133 Ų13373%0.73380%0.795SS**  68.8100.282-160.118000112
90S59.5Low50.9Low117 Ų117130 Ų13082%0.81879%0.785SS**  trans-164.690.9164.9-76.80000108.6
91N57.3Low50.6Low151 Ų151130.3 Ų130.381%0.80778%0.777SS**  trans-73.4141.7155.1-82.3-32000109.2
92P58.5Low50.8Low124 Ų124129 Ų12981%0.80577%0.772SS**  trans-102.8111.1149.930.2-19.1000110.1
93T44.8Very low49.6Very low117 Ų117130.3 Ų130.372%0.71877%0.769SS**  trans-25.3129.9148.8-53.30000114.7
94I54.7Low48.7Very low164 Ų164126.7 Ų126.784%0.84177%0.768SS**  -167.5113.2119.4-80145.1000106.7
95P46.4Very low47.8Very low105 Ų105130.2 Ų130.268%0.68277%0.771SS**  trans-97.2172.2163.536.3-26.8000110.7
96E42.1Very low46.9Very low181 Ų181130.1 Ų130.185%0.84677%0.772SS**  trans102.794.2160.2-153179.9141.700117.3
97L49.5Very low46.2Very low174 Ų174129.5 Ų129.591%0.91177%0.77SS**  -138.5116.3117.4-16865.3000108.7
98A41.8Very low45.6Very low82 Ų82129.7 Ų129.768%0.67876%0.762SS**  trans-70.2139.4-176.300000112.5
99G43.7Very low44.4Very low67 Ų67132.2 Ų132.269%0.69177%0.765SS**  trans-68.8163.4153.800000110.7
100P44.8Very low44.3Very low105 Ų105135.3 Ų135.368%0.68277%0.768SS**  -140.7139.595.431-13.5000114.3
101N41.2Very low43.4Very low135 Ų135134.9 Ų134.972%0.72276%0.757SS**  trans3120.5132.134.9-65.9000115.5
102N45Very low42.6Very low141 Ų141131.8 Ų131.875%0.75475%0.752SS**  trans-177.4114.7136.6-80.4-30.2000109.3
103D34.3Very low41.6Very low155 Ų155134.5 Ų134.583%0.82976%0.756SS**  trans28.2141.3130.9-52.7-34.7000120.6
104A35.9Very low41.1Very low94 Ų94136 Ų13678%0.77776%0.759SS**  trans93.371.316500000117.3S106A104-S106 PolarHBondContact O-N 3.35Å
105F35.2Very low40.2Very low219 Ų219137.5 Ų137.596%0.96176%0.759SS**  trans-81.5103.6140.5-82.7-78.7000108
106S42.4Very low39.9Very low93 Ų93137 Ų13765%0.6576%0.764SS**  trans-59140.5-173.866.40000112.5A104 H108A104-S106 PolarHBondContact O-N 3.35Å; S106-H108 PolarHBondContact O-N 2.97Å
107S38Very low39.3Very low102 Ų102137 Ų13771%0.71376%0.764SS**SBendtrans-71.738.5-177.858.90000114.5
108H35.3Very low38.6Very low136 Ų136137.5 Ų137.563%0.6376%0.762SS**  trans-119.88.7-168-90.5-24.9000117.3S106 D111S106-H108 PolarHBondContact O-N 2.97Å; H108-D111 IonicContact ND1-OD2 3.88Å
109Q39.6Very low38.3Very low177 Ų177142.2 Ų142.283%0.82777%0.772SS**SBendtrans-98.4-0.9176-74-169.473.500115.2
110Y39.5Very low38Very low202 Ų202146.2 Ų146.279%0.79278%0.782SS**SBendtrans-111.9-6.4178-62.2-77.7000114.5
111D40.9Very low37.7Very low109 Ų109145 Ų14558%0.58378%0.782SS**SBendtrans-85.3-13.9178-89-22.9000114.1H108H108-D111 IonicContact ND1-OD2 3.88Å
112A40.8Very low37.4Very low85 Ų85144.2 Ų144.270%0.70278%0.784SS**SBendtrans-82-23.8-177.200000113.6
113M36.9Very low37.3Very low181 Ų181146 Ų14689%0.89279%0.791SS**SBendtrans-92.3-13.1-176.4-97.9173.755.400114.3
114L35.7Very low37.6Very low150 Ų150142.7 Ų142.779%0.78579%0.786SS**SBendtrans-99.410.3-178.2-98.4160.4000114.1A116L114-A116 PolarHBondContact O-N 3.09Å
115K35.1Very low37.7Very low194 Ų194146.2 Ų146.284%0.84379%0.786SS**  trans-85.419.9-179.8-126.7-176.7-173-175.60114.9
116A39.5Very low37.9Very low95 Ų95146.3 Ų146.379%0.78578%0.78SS**SBendtrans-96.913.1-17700000114.5L114L114-A116 PolarHBondContact O-N 3.09Å
117H30.9Very low38Very low182 Ų182147.5 Ų147.584%0.84378%0.783SS**SBendtrans-138.445-174.4-151.8-78.6000115.6
118E34.8Very low38.3Very low183 Ų183148.1 Ų148.186%0.85579%0.785SS**  trans-157.297.2167-163.5173.3176.500113.3
119M34.7Very low38.7Very low182 Ų182150.4 Ų150.490%0.89780%0.796SS**  trans-168.385.8134.9-110.9167.66200109.8
120V36.5Very low38.9Very low150 Ų150149.2 Ų149.291%0.90979%0.794SS**  trans-71.4120.5152.3165.80000107.3
121A38.6Very low39Very low81 Ų81147 Ų14767%0.66979%0.794SS**  trans-148.7132.8148.400000109.3
122P36.2Very low38.8Very low118 Ų118147.4 Ų147.477%0.76681%0.805SS**  trans-80.7125.1-17132.1-31.1000110A124P122-A124 PolarHBondContact O-N 3.42Å
123I42.1Very low38.9Very low177 Ų177149.7 Ų149.791%0.90882%0.816SS**  trans-72.3105.9164.6-65.5176.5000107
124A40.9Very low39.3Very low87 Ų87144.5 Ų144.572%0.71981%0.809SS**  trans-63.2141.6179.900000112.3P122P122-A124 PolarHBondContact O-N 3.42Å
125H37.3Very low39.6Very low168 Ų168143.2 Ų143.278%0.77881%0.812SS**  trans-57.8159.6164.4175-70.8000113.3
126R39.4Very low39.6Very low220 Ų220140.8 Ų140.883%0.8381%0.814SS**  trans99.8129.4172.7-55.7-172.2-155.2-168.66.1112.5
127V44.8Very low39.9Very low119 Ų119141.2 Ų141.272%0.72181%0.811SS**  cis-157.6152.537.9171.80000109
128P43.9Very low40.6Very low115 Ų115140.9 Ų140.975%0.74781%0.81SS**  trans-92133.1179.434.7-28.3000112.3
129E45.3Very low41Very low184 Ų184136.6 Ų136.686%0.8680%0.8SS**  trans-136101.1165.9-71.1-171.2169.200111.3
130I42.9Very low41.4Very low152 Ų152136.8 Ų136.878%0.77980%0.798SS**  trans-42.7169.9150.843.2176.6000113.3
131I40.9Very low41.7Very low155 Ų155135.2 Ų135.280%0.79579%0.794SS**  trans81.899.2167.358.2162.5000119.8
132S38.1Very low41.7Very low118 Ų118135.2 Ų135.283%0.82579%0.794SS**  166.5109.5108.1-80.90000113.6
133S43.3Very low42.2Very low132 Ų132136.6 Ų136.692%0.92379%0.793SS**  trans-173.8113.9145.645.60000108.7
134G44Very low42.4Very low72 Ų72136.5 Ų136.574%0.74279%0.789SS**  trans148.895.8172.100000113.3
135S41.6Very low42.2Very low123 Ų123140.6 Ų140.686%0.8680%0.795SS**  trans-42.7133.817351.80000115
136T35.3Very low42.5Very low143 Ų143137.6 Ų137.688%0.87779%0.793SS**  trans-124.7112.6159.849.50000109.4
137S46.4Very low42.8Very low104 Ų104133.4 Ų133.473%0.72779%0.792SS**  trans-128.9117.515764.10000109.1
138E44.5Very low42.6Very low176 Ų176136.3 Ų136.382%0.82280%0.798SS**  trans68.1117.2145.5-83.5171.7120.400121.6
139S45.2Very low43.4Very low92 Ų92136.6 Ų136.664%0.64380%0.803SS**  100.590126.8-630000119.2
140H41.5Very low43.4Very low186 Ų186132.9 Ų132.986%0.86180%0.797SS**  41.5122.8127.7-59.3-72.3000121.5
141S44.1Very low43.5Very low118 Ų118132.5 Ų132.583%0.82580%0.797SS**  trans113.7108131.7-155.90000116.7
142A37.6Very low43.8Very low80 Ų80134.3 Ų134.366%0.66180%0.799SS**  trans16.9134.3140.900000119.5
143I47.1Very low44.2Very low147 Ų147136 Ų13675%0.75480%0.799SS**  176124.7116.3-87154.1000110.6
144E45.5Very low44.6Very low175 Ų175134.8 Ų134.882%0.81879%0.79SS**  trans50.8121142-58.1176.9154.600123
145M38.5Very low44.6Very low173 Ų173140 Ų14085%0.85280%0.795SS**  trans-46.5138.4152.436.8-112.2-94.600115.9
146S41.8Very low44.7Very low105 Ų105138.3 Ų138.373%0.73479%0.788SS**  169.7158119.1-73.80000112.7
147T46.1Very low44.8Very low132 Ų132137 Ų13781%0.8178%0.784SS**  trans9292.5157.568.80000119.8
148E41.6Very low44.7Very low181 Ų181137.8 Ų137.885%0.84679%0.787SS**  40.9118.8113.4-166.7170163.700119.7
149S60Low44.5Very low120 Ų120137.4 Ų137.484%0.83979%0.785SS**  -179.8158.5122.5470000112.3
150S46.2Very low44.7Very low106 Ų106140.4 Ų140.474%0.74179%0.792SS**  trans-90.4157-148.3-47.20000117.8
151D44Very low44.7Very low145 Ų145138 Ų13878%0.77579%0.785SS**  trans11.3152.6146-64.2-45.1000123.8
152K46.3Very low44.9Very low192 Ų192140.3 Ų140.384%0.83579%0.787SS**  trans93.4112.5159.5-52.9-68.9172.1166.20114.3
153D47.2Very low44.9Very low155 Ų155144.4 Ų144.483%0.82979%0.792SS**  178.6162.289.2-150.2-5.4000110.9
154S52Low44.6Very low105 Ų105141.7 Ų141.773%0.73479%0.792SS**  trans106.1126.7171.2-47.70000115.4
155Q45.1Very low44.5Very low181 Ų181138.3 Ų138.385%0.84679%0.787SS**  cis-173.4127.1-4.8-177.1166.61.800109.6
156A42.8Very low44.8Very low88 Ų88137.8 Ų137.873%0.72779%0.788SS**  trans45.4105.9144.800000124.5
157C38.1Very low45.2Very low117 Ų117141 Ų14179%0.79180%0.796SS**  28.6159.7116.4-670000123.1
158P44.5Very low44.9Very low120 Ų120142.8 Ų142.878%0.77980%0.795SS**  cis-143.8162.227.237.7-15.7000120
159E39.9Very low44.9Very low167 Ų167139 Ų13978%0.7879%0.787SS**  trans-58.2141.3166.2-64.1158128.800113.1
160I48.5Very low44.4Very low155 Ų155138.7 Ų138.780%0.79578%0.784SS**  trans-113.6100.8154.6-63178.1000107.4L162I160-L162 HydrophobicContact CG2-CD1 4.48Å; I160-L162 HydrophobicContact CG2-CG 4.12Å; I160-L162 PolarHBondContact O-N 3.42Å
161L42.6Very low44.1Very low136 Ų136138.2 Ų138.271%0.71279%0.787SS**  trans-62.4113.2159.7-98.9152.1000109.2
162L46.7Very low44.2Very low167 Ų167137.2 Ų137.287%0.87479%0.786SS**  trans-123.499.6155-76.2176.7000109I160I160-L162 HydrophobicContact CG2-CD1 4.48Å; I160-L162 HydrophobicContact CG2-CG 4.12Å; I160-L162 PolarHBondContact O-N 3.42Å
163H38.3Very low44.3Very low165 Ų165133.6 Ų133.676%0.76479%0.785SS**  trans-101.9144.2173.9-123-78.7000108.7
164A40Very low44.5Very low91 Ų91132.7 Ų132.775%0.75278%0.784SS**  trans71.7138.6166.500000115.5
165S44.2Very low44.1Very low103 Ų103134.3 Ų134.372%0.7279%0.785SS**  cis-168147.824.414.30000109.2
166N44.3Very low44Very low163 Ų163128.9 Ų128.987%0.87277%0.771SS**  trans-58.7130.3172.1-50.8-65.1000112
167L49.8Very low44.5Very low171 Ų171133.1 Ų133.190%0.89577%0.773SS**  trans-156.4109.7158.7-102123.5000110.8
168E40.6Very low44.9Very low170 Ų170137.7 Ų137.779%0.79478%0.775SS**  trans-127.2161.5153.1-125.3-79.1116.200103.6
169P41.6Very low45.4Very low102 Ų102139.3 Ų139.366%0.66277%0.772SS**  cis-114.2161.1-22.87.416.1000110.6
170S49.6Very low46Very low113 Ų113136.3 Ų136.379%0.7977%0.77SS**  trans-141.6116.9154.773.40000112.5
171A39.5Very low46.2Very low97 Ų97135.7 Ų135.780%0.80277%0.768SS**  trans-49130.4169.900000113.1
172V46.9Very low46.5Very low123 Ų123134.6 Ų134.675%0.74577%0.769SS**  trans-130.597.9152.4167.80000106.7V174V172-V174 HydrophobicContact CG1-CG2 4.06Å
173S47.7Very low46.5Very low117 Ų117135.4 Ų135.482%0.81877%0.768SS**PPolyproline II helixtrans-75.8121.1157.647.80000108
174V52.8Low46.9Very low135 Ų135133.1 Ų133.182%0.81877%0.768SS**PPolyproline II helixtrans-102.8129.5162.8157.70000108.6V172V172-V174 HydrophobicContact CG1-CG2 4.06Å
175D41.9Very low47.1Very low140 Ų140133 Ų13375%0.74977%0.767SS**PPolyproline II helixtrans-68.3164.4-168.8-173.825.1000114.2
176A44.2Very low47.4Very low66 Ų66132.5 Ų132.555%0.54576%0.763SS.*PPolyproline II helixtrans-49.7163.9-17300000116.3
177F53Low47.6Very low177 Ų177131.5 Ų131.578%0.77676%0.758SS**  -176.9136121.1-87.9-62.9000111.4
178Y46.6Very low47.3Very low214 Ų214128.3 Ų128.384%0.83975%0.745SS**  trans72.996.3170.7-70.1-83.9000117.4
179H54.3Low47Very low153 Ų153126.5 Ų126.571%0.70875%0.75SS**  70.7126.259.1-149.5-51.9000115.4D181H179-D181 IonicContact CE1-OD1 3.06Å
180S51.9Low47.4Very low104 Ų104128.2 Ų128.273%0.72775%0.754SS**  trans107120.8164.3-39.90000112.8
181D53.5Low47.2Very low142 Ų142131.8 Ų131.876%0.75976%0.755SS**  cis-166.9165.1-13.7-126.34.2000105.3H179H179-D181 IonicContact CE1-OD1 3.06Å
182P49.9Very low48.1Very low113 Ų113132.3 Ų132.373%0.73475%0.753SS**  trans-94.8160.7-1579.79.2000116.4
183Q46.8Very low47.9Very low185 Ų185133 Ų13386%0.86475%0.752SS**  trans-45.6161.3167.1-138.9170.6-82.400114.4
184P46.6Very low48Very low116 Ų116134.9 Ų134.975%0.75375%0.753SS**  -149.9142.1121.234.2-16.7000117
185A44.4Very low47.8Very low88 Ų88139 Ų13973%0.72776%0.756SS**  trans65.4149.7136.200000118.6
186S49.8Very low47.5Very low93 Ų93139.6 Ų139.665%0.6576%0.757SS**  cis-161.1140.1-5.139.50000102.1
187D47.5Very low47.5Very low143 Ų143141.8 Ų141.877%0.76577%0.769SS**  -177.1123.5101.9-95.8-29.6000110.3
188V43.5Very low46.7Very low103 Ų103137.8 Ų137.862%0.62477%0.768SS**  trans60.597.4130.7170.40000117.6N190V188-N190 HydrophobicContact CG1-CB 4.41Å; V188-N190 WeakPolarHBondContact CG1-ND2 3.48Å; V188-N190 WeakPolarHBondContact CG1-OD1 3.42Å
189C35.9Very low46.5Very low132 Ų132135.5 Ų135.589%0.89277%0.765SS**  trans-84.8112.6152-1740000108.3
190N48.2Very low45.7Very low138 Ų138133.9 Ų133.974%0.73877%0.771SS**  trans-102.5122.5171.8-70.8-27.1000109.9V188V188-N190 HydrophobicContact CG1-CB 4.41Å; V188-N190 WeakPolarHBondContact CG1-ND2 3.48Å; V188-N190 WeakPolarHBondContact CG1-OD1 3.42Å
191K45.5Very low45.3Very low188 Ų188135 Ų13582%0.81777%0.769SS**  trans-56.2136166.6-91.9169.2164.9169.20111.5
192S58.9Low44.4Very low109 Ų109133.3 Ų133.376%0.76277%0.768SS**  trans-137.498.9143.157.80000107.9
193D42.6Very low43.7Very low137 Ų137134.5 Ų134.573%0.73377%0.768SS**  trans-83110.7156.8-67.8-48.7000106
194D49.5Very low43.3Very low156 Ų156134.3 Ų134.383%0.83477%0.772SS**  trans-147.3108.7165.3-92.8-33.2000111
195Y50.2Low42.6Very low221 Ų221134.8 Ų134.887%0.86777%0.773SS**  trans35.6122.4144.8-131.8-100.7000121.8S197Y195-S197 PolarHBondContact O-N 2.93Å
196I34Very low42.5Very low153 Ų153134.9 Ų134.979%0.78577%0.769SS**  trans-36.4123.3168.3-58.8161.2000113
197S44.7Very low41.8Very low112 Ų112137.3 Ų137.378%0.78377%0.774SS**  trans-129.8113.8159.2-145.90000109.1Y195 E199Y195-S197 PolarHBondContact O-N 2.93Å; S197-E199 PolarHBondContact O-N 3.38Å
198A37.2Very low41.2Very low93 Ų93132.9 Ų132.977%0.76975%0.753SS**  trans-74.1101.3175.700000109.3
199E41.4Very low41Very low167 Ų167130.9 Ų130.978%0.7874%0.738SS**  trans-103.194.8157.259.5-172.6127.600109S197S197-E199 PolarHBondContact O-N 3.38Å
200S37.9Very low41.4Very low118 Ų118130.3 Ų130.383%0.82573%0.733SS**  trans-87.3111.4161.256.90000108.4
201N42.9Very low40.9Very low128 Ų128131.3 Ų131.368%0.68473%0.733SS**  trans-14394.1157.647-17000108.7
202S34.9Very low40.5Very low106 Ų106129.2 Ų129.274%0.74173%0.726SS**  trans-16124.1156.250.30000115.5
203D35.2Very low39.7Very low138 Ų138129.3 Ų129.374%0.73872%0.723SS**  trans17211.2133.7-87.5-7.8000113.6T205D203-T205 PolarHBondContact O-N 3.25Å
204L37.9Very low39.6Very low181 Ų181126.1 Ų126.195%0.94871%0.709SS**  trans-84.820171.6-60.5-177.5000114.3S206L204-S206 PolarHBondContact O-N 2.95Å
205T32.9Very low39.1Very low127 Ų127124.6 Ų124.678%0.77970%0.701SS**  trans-8560.8153.759.20000108.3D203 N207D203-T205 PolarHBondContact O-N 3.25Å; T205-N207 PolarHBondContact O-N 3.23Å
206S41.7Very low38.9Very low90 Ų90115 Ų11563%0.62967%0.665SS**  trans-68.991.1159.1-175.30000105.5L204 V208L204-S206 PolarHBondContact O-N 2.95Å; S206-V208 PolarHBondContact O-N 2.88Å; S206-V208 WeakPolarHBondContact OG-CG2 3.47Å
207N34.5Very low39.2Very low143 Ų143112.5 Ų112.577%0.76566%0.66SS**  trans-5377.5153.1172.117.4000106.7T205 D209T205-N207 PolarHBondContact O-N 3.23Å; N207-D209 PolarHBondContact O-N 3.2Å; N207-D209 PolarHBondContact OD1-N 3.01Å
208V36.5Very low38.9Very low51 Ų51108.7 Ų108.731%0.30964%0.639SS.*  trans-75.389.2162.8-179.20000103.9S206 P210S206-V208 PolarHBondContact O-N 2.88Å; S206-V208 WeakPolarHBondContact OG-CG2 3.47Å; V208-P210 WeakPolarHBondContact O-CD 3.45Å
209D39.3Very low38.9Very low60 Ų60106.7 Ų106.732%0.32161%0.613SS.*  trans-47118.9164.8175.412.2000107.8N207 H211 H212N207-D209 PolarHBondContact O-N 3.2Å; N207-D209 PolarHBondContact OD1-N 3.01Å; D209-H211 PolarHBondContact O-N 3.36Å; D209-H211 WeakPolarHBondContact OD1-CB 3.1Å; D209-H211 IonicContact OD1-CD2 3.43Å; D209-H211 PolarHBondContact OD1-CD2 2.94Å; D209-H211 IonicContact OD1-CG 3.72Å; D209-H211 PolarHBondContact OD1-N 3.15Å; D209-H212 HydrophobicContact CB-CB 4.05Å; D209-H212 PolarHBondContact O-N 3.46Å
210P43.4Very low39.3Very low120 Ų120103 Ų10378%0.77960%0.604SS**THydrogen-bonded Turntrans-53.6-20.5173.8-22.932.3000112.7V208V208-P210 WeakPolarHBondContact O-CD 3.45Å
211H37Very low39.9Very low159 Ų159104 Ų10474%0.73660%0.598SS**THydrogen-bonded Turntrans-97.24.1-178.5-56.9-67.9000114.5D209 P213D209-H211 PolarHBondContact O-N 3.36Å; D209-H211 WeakPolarHBondContact OD1-CB 3.1Å; D209-H211 IonicContact OD1-CD2 3.43Å; D209-H211 PolarHBondContact OD1-CD2 2.94Å; D209-H211 IonicContact OD1-CG 3.72Å; D209-H211 PolarHBondContact OD1-N 3.15Å; H211-P213 WeakPolarHBondContact O-CD 3.43Å
212H38.4Very low40.2Very low145 Ų145105.6 Ų105.667%0.67160%0.602SS**SBendtrans-104.9107.7177.1-141.254000111.8D209 V214D209-H212 HydrophobicContact CB-CB 4.05Å; D209-H212 PolarHBondContact O-N 3.46Å; H212-V214 PolarHBondContact O-N 3.22Å
213P40.7Very low40.8Very low110 Ų110102.5 Ų102.571%0.71458%0.579SS**  trans-62.3122.8-179.724.1-31.4000109.7H211 N215H211-P213 WeakPolarHBondContact O-CD 3.43Å; P213-N215 PolarHBondContact O-N 2.94Å
214V40.6Very low41.4Very low71 Ų7198.2 Ų98.243%0.4356%0.555SS.*  trans-56.4124172.1177.60000107.8H212 L216H212-V214 PolarHBondContact O-N 3.22Å; V214-L216 WeakPolarHBondContact O-CG 3.42Å; V214-L216 PolarHBondContact O-N 3.45Å; V214-L216 VanDerWaalsContact O-N 3.16Å
215N40.5Very low42.5Very low124 Ų12496 Ų9666%0.66354%0.537SS*.  trans-67.8114.3179.5-178.713000110.4P213 S217P213-N215 PolarHBondContact O-N 2.94Å; N215-S217 PolarHBondContact ND2-OG 3.27Å; N215-S217 VanDerWaalsContact OD1-CB 3.3Å; N215-S217 WeakPolarHBondContact OD1-CB 3.43Å; N215-S217 PolarHBondContact OD1-N 3.34Å; N215-S217 VanDerWaalsContact OD1-N 3.15Å
216L45.4Very low43.8Very low20 Ų2093.1 Ų93.111%0.10552%0.515CS..  trans-96.725.7-176.5-65.2156.1000112.1L11 V214 G218 F219 Q224 I228L11-L216 HydrophobicContact CD2-CD2 3.96Å; V214-L216 WeakPolarHBondContact O-CG 3.42Å; V214-L216 PolarHBondContact O-N 3.45Å; V214-L216 VanDerWaalsContact O-N 3.16Å; L216-G218 PolarHBondContact O-N 3.12Å; L216-F219 VanDerWaalsContact C-CD2 3.45Å; L216-F219 HydrophobicContact CB-CD2 3.85Å; L216-F219 HydrophobicContact CB-CE2 4.07Å; L216-F219 HydrophobicContact CB-CG 4.42Å; L216-F219 HydrophobicContact CD2-CD1 4.23Å; L216-F219 HydrophobicContact CD2-CD2 3.95Å; L216-F219 HydrophobicContact CD2-CE1 3.78Å; L216-F219 HydrophobicContact CD2-CE2 3.53Å; L216-F219 HydrophobicContact CD2-CG 4.29Å; L216-F219 HydrophobicContact CD2-CZ 3.45Å; L216-F219 VanDerWaalsContact CD2-CZ 3.45Å; L216-F219 HydrophobicContact CG-CE2 4.35Å; L216-F219 WeakPolarHBondContact O-CD2 3.25Å; L216-F219 PolarHBondContact O-N 3.42Å; L216-Q224 HydrophobicContact CB-CG 3.61Å; L216-Q224 HydrophobicContact CD1-CG 3.8Å; L216-Q224 HydrophobicContact CG-CG 4.17Å; L216-Q224 PolarHBondContact O-OE1 2.9Å; L216-I228 HydrophobicContact CD1-CD1 3.55Å; L216-I228 HydrophobicContact CD1-CG1 3.5Å
217S39.8Very low44.4Very low99 Ų9989.8 Ų89.869%0.69249%0.491SS*.THydrogen-bonded Turntrans-68.32.6-175690000116.1N215N215-S217 PolarHBondContact ND2-OG 3.27Å; N215-S217 VanDerWaalsContact OD1-CB 3.3Å; N215-S217 WeakPolarHBondContact OD1-CB 3.43Å; N215-S217 PolarHBondContact OD1-N 3.34Å; N215-S217 VanDerWaalsContact OD1-N 3.15Å
218G39.7Very low45.8Very low33 Ų3386.2 Ų86.234%0.3447%0.471SS..THydrogen-bonded Turntrans-113.716.3-179.900000114.6F3 L216F3-G218 WeakPolarHBondContact CD1-O 3.32Å; F3-G218 WeakPolarHBondContact CE1-O 3.4Å; L216-G218 PolarHBondContact O-N 3.12Å
219F37.6Very low47.2Very low50 Ų5088.2 Ų88.222%0.21948%0.48CS..SBendtrans-111147.6-167.9-69-111.6000111.3L8 L11 L216 I221 Q224L8-F219 HydrophobicContact CD1-CD1 3.77Å; L8-F219 HydrophobicContact CD1-CE1 3.1Å; L8-F219 HydrophobicContact CD1-CZ 3.83Å; L11-F219 HydrophobicContact CD2-CE1 4.12Å; L11-F219 HydrophobicContact CD2-CZ 3.82Å; L216-F219 VanDerWaalsContact C-CD2 3.45Å; L216-F219 HydrophobicContact CB-CD2 3.85Å; L216-F219 HydrophobicContact CB-CE2 4.07Å; L216-F219 HydrophobicContact CB-CG 4.42Å; L216-F219 HydrophobicContact CD2-CD1 4.23Å; L216-F219 HydrophobicContact CD2-CD2 3.95Å; L216-F219 HydrophobicContact CD2-CE1 3.78Å; L216-F219 HydrophobicContact CD2-CE2 3.53Å; L216-F219 HydrophobicContact CD2-CG 4.29Å; L216-F219 HydrophobicContact CD2-CZ 3.45Å; L216-F219 VanDerWaalsContact CD2-CZ 3.45Å; L216-F219 HydrophobicContact CG-CE2 4.35Å; L216-F219 WeakPolarHBondContact O-CD2 3.25Å; L216-F219 PolarHBondContact O-N 3.42Å; F219-I221 PolarHBondContact O-N 3.4Å; F219-Q224 HydrophobicContact CB-CB 3.82Å; F219-Q224 HydrophobicContact CB-CG 4.48Å
220P48.6Very low48.5Very low90 Ų9088 Ų8858%0.58448%0.475SS*.  trans-54.1127.1158.3-19.831.8000108.5E222 C223 Q224P220-E222 PolarHBondContact O-N 3.13Å; P220-C223 PolarHBondContact O-N 3.06Å; P220-Q224 PolarHBondContact O-N 3.3Å; P220-Q224 VanDerWaalsContact O-N 3.13Å
221I49.9Very low49.5Very low140 Ų14085.4 Ų85.472%0.71845%0.454SS*.Hα-helixtrans-54.2-31.3-171.8-64.1169.5000111.7F219 K225F219-I221 PolarHBondContact O-N 3.4Å; I221-K225 WeakPolarHBondContact O-CB 3.47Å; I221-K225 PolarHBondContact O-N 3.22Å
222E49.2Very low51Low161 Ų16179.9 Ų79.975%0.75244%0.436SS*.Hα-helixtrans-70.6-49.8-179-168.8162.5-151.500113.3P220 Q224 K225 H226P220-E222 PolarHBondContact O-N 3.13Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 2.86Å; E222-K225 PolarHBondContact O-N 3.06Å; E222-H226 WeakPolarHBondContact O-CB 3.48Å; E222-H226 PolarHBondContact O-N 3.48Å
223C47.7Very low52.5Low40 Ų4076.6 Ų76.627%0.2742%0.422SS..Hα-helixtrans-62.8-42175.4-65.50000111.2E48 P220 K225 H226 V227E48-C223 PolarHBondContact OE1-SG 3.02Å; P220-C223 PolarHBondContact O-N 3.06Å; C223-K225 PolarHBondContact O-N 3.24Å; C223-H226 PolarHBondContact O-N 2.66Å; C223-V227 WeakPolarHBondContact O-CB 3.38Å; C223-V227 VanDerWaalsContact O-CG2 3.31Å; C223-V227 WeakPolarHBondContact O-CG2 3.31Å; C223-V227 PolarHBondContact O-N 3.28Å
224Q49Very low53.6Low49 Ų4972.3 Ų72.323%0.22939%0.394CS..Hα-helixtrans-59.1-49.4176.2-178.9178.9-8.400111.4L216 F219 P220 E222 H226 V227 I228L216-Q224 HydrophobicContact CB-CG 3.61Å; L216-Q224 HydrophobicContact CD1-CG 3.8Å; L216-Q224 HydrophobicContact CG-CG 4.17Å; L216-Q224 PolarHBondContact O-OE1 2.9Å; F219-Q224 HydrophobicContact CB-CB 3.82Å; F219-Q224 HydrophobicContact CB-CG 4.48Å; P220-Q224 PolarHBondContact O-N 3.3Å; P220-Q224 VanDerWaalsContact O-N 3.13Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 2.86Å; Q224-H226 VanDerWaalsContact C-N 3.32Å; Q224-H226 PolarHBondContact O-N 3Å; Q224-V227 PolarHBondContact O-N 3.23Å; Q224-I228 HydrophobicContact CG-CD1 3.64Å; Q224-I228 HydrophobicContact CG-CG1 4.38Å; Q224-I228 WeakPolarHBondContact O-CB 3.28Å; Q224-I228 WeakPolarHBondContact O-CG1 3.16Å; Q224-I228 PolarHBondContact O-N 3.47Å
225K61Low54.7Low133 Ų13375.4 Ų75.458%0.57840%0.403SS*.Hα-helixtrans-60.9-42.5177.8178.8-175.2171.5-169.60111.3I221 E222 C223 N229I221-K225 WeakPolarHBondContact O-CB 3.47Å; I221-K225 PolarHBondContact O-N 3.22Å; E222-K225 PolarHBondContact O-N 3.06Å; C223-K225 PolarHBondContact O-N 3.24Å; K225-N229 VanDerWaalsContact O-CB 3.26Å; K225-N229 WeakPolarHBondContact O-CB 3.49Å; K225-N229 PolarHBondContact O-N 3.13Å; K225-N229 PolarHBondContact O-ND2 2.93Å; K225-N229 PolarHBondContact O-OD1 3.3Å
226H58.6Low56Low68 Ų6872.9 Ų72.932%0.31539%0.393SS..Hα-helixtrans-61.8-50.3178.7-17175.4000111.2E48 E222 C223 Q224 N229 R230E48-H226 IonicContact OE2-CD2 3.38Å; E48-H226 PolarHBondContact OE2-CD2 3.08Å; E48-H226 IonicContact OE2-NE2 3.92Å; E222-H226 WeakPolarHBondContact O-CB 3.48Å; E222-H226 PolarHBondContact O-N 3.48Å; C223-H226 PolarHBondContact O-N 2.66Å; Q224-H226 VanDerWaalsContact C-N 3.32Å; Q224-H226 PolarHBondContact O-N 3Å; H226-N229 PolarHBondContact O-N 2.95Å; H226-R230 WeakPolarHBondContact NE2-CD 3.4Å; H226-R230 PolarHBondContact NE2-NH1 3.22Å; H226-R230 WeakPolarHBondContact O-CG 3.19Å; H226-R230 PolarHBondContact O-N 3.42Å; H226-R230 VanDerWaalsContact O-N 3.13Å
227V55.5Low56.8Low19 Ų1974.4 Ų74.412%0.11540%0.397CS..Hα-helixtrans-62-46.6178.41730000111.6F12 C223 Q224 N229 R230 I231F12-V227 HydrophobicContact CE1-CG2 4.06Å; C223-V227 WeakPolarHBondContact O-CB 3.38Å; C223-V227 VanDerWaalsContact O-CG2 3.31Å; C223-V227 WeakPolarHBondContact O-CG2 3.31Å; C223-V227 PolarHBondContact O-N 3.28Å; Q224-V227 PolarHBondContact O-N 3.23Å; V227-N229 PolarHBondContact O-N 3.06Å; V227-R230 PolarHBondContact O-N 3.44Å; V227-I231 HydrophobicContact CG1-CD1 3.78Å; V227-I231 HydrophobicContact CG1-CG1 4.41Å; V227-I231 VanDerWaalsContact O-CG1 3.32Å; V227-I231 WeakPolarHBondContact O-CG1 3.42Å; V227-I231 PolarHBondContact O-N 3.46Å
228I63.5Low57.8Low69 Ų6972.1 Ų72.135%0.35438%0.378SS..Hα-helixtrans-60.7-47.6178.3-68.4168.7000111.2L216 Q224 R230 I231 A232L216-I228 HydrophobicContact CD1-CD1 3.55Å; L216-I228 HydrophobicContact CD1-CG1 3.5Å; Q224-I228 HydrophobicContact CG-CD1 3.64Å; Q224-I228 HydrophobicContact CG-CG1 4.38Å; Q224-I228 WeakPolarHBondContact O-CB 3.28Å; Q224-I228 WeakPolarHBondContact O-CG1 3.16Å; Q224-I228 PolarHBondContact O-N 3.47Å; I228-R230 PolarHBondContact O-N 3.49Å; I228-I231 PolarHBondContact O-N 2.93Å; I228-A232 WeakPolarHBondContact O-CB 3.44Å; I228-A232 PolarHBondContact O-N 2.9Å
229N66.9Low58.9Low93 Ų9379.3 Ų79.350%0.49740%0.397SS..Hα-helixtrans-59.8-33.6180-75.6-7.1000111.8K225 H226 V227 L233K225-N229 VanDerWaalsContact O-CB 3.26Å; K225-N229 WeakPolarHBondContact O-CB 3.49Å; K225-N229 PolarHBondContact O-N 3.13Å; K225-N229 PolarHBondContact O-ND2 2.93Å; K225-N229 PolarHBondContact O-OD1 3.3Å; H226-N229 PolarHBondContact O-N 2.95Å; V227-N229 PolarHBondContact O-N 3.06Å; N229-L233 PolarHBondContact O-N 3.32Å
230R66Low60.1Low55 Ų5584.1 Ų84.121%0.20842%0.42CS..Hα-helixtrans-77.9-37.8178-68.9-168.6119.4149.36.9113.3E44 H226 V227 I228 A232 L233 I234E44-R230 IonicContact OE2-CZ 3.42Å; E44-R230 IonicContact OE2-NH1 3.96Å; E44-R230 PolarHBondContact OE2-NH1 3.49Å; E44-R230 IonicContact OE2-NH2 2.86Å; E44-R230 PolarHBondContact OE2-NH2 3.42Å; H226-R230 WeakPolarHBondContact NE2-CD 3.4Å; H226-R230 PolarHBondContact NE2-NH1 3.22Å; H226-R230 WeakPolarHBondContact O-CG 3.19Å; H226-R230 PolarHBondContact O-N 3.42Å; H226-R230 VanDerWaalsContact O-N 3.13Å; V227-R230 PolarHBondContact O-N 3.44Å; I228-R230 PolarHBondContact O-N 3.49Å; R230-A232 VanDerWaalsContact C-N 3.3Å; R230-L233 WeakPolarHBondContact O-CB 3.32Å; R230-L233 PolarHBondContact O-N 2.92Å; R230-I234 WeakPolarHBondContact O-CG1 3.47Å; R230-I234 PolarHBondContact O-N 2.91Å
231I63Low60.6Low66 Ų6682.5 Ų82.534%0.33841%0.406SS..Hα-helixtrans-59.7-46.1171.6-66.8164.8000109.5H15 V227 I228 L233 I234 E235H15-I231 VanDerWaalsContact CE1-CD1 3.42Å; H15-I231 WeakPolarHBondContact CE1-CD1 3.21Å; V227-I231 HydrophobicContact CG1-CD1 3.78Å; V227-I231 HydrophobicContact CG1-CG1 4.41Å; V227-I231 VanDerWaalsContact O-CG1 3.32Å; V227-I231 WeakPolarHBondContact O-CG1 3.42Å; V227-I231 PolarHBondContact O-N 3.46Å; I228-I231 PolarHBondContact O-N 2.93Å; I231-L233 VanDerWaalsContact C-N 3.3Å; I231-L233 PolarHBondContact O-N 3.4Å; I231-I234 PolarHBondContact O-N 3.48Å; I231-E235 WeakPolarHBondContact O-CB 3.3Å; I231-E235 PolarHBondContact O-N 3.3Å
232A70.2Confident61.1Low43 Ų4379.9 Ų79.936%0.35540%0.399SS..Hα-helixtrans-59.5-40.4175.400000111.8I228 R230 E235 T236I228-A232 WeakPolarHBondContact O-CB 3.44Å; I228-A232 PolarHBondContact O-N 2.9Å; R230-A232 VanDerWaalsContact C-N 3.3Å; A232-E235 PolarHBondContact O-N 3.07Å; A232-T236 VanDerWaalsContact O-CG2 3.3Å; A232-T236 WeakPolarHBondContact O-CG2 3.37Å; A232-T236 PolarHBondContact O-N 2.76Å; A232-T236 PolarHBondContact O-OG1 2.99Å
233L70.2Confident61.8Low75 Ų7576.6 Ų76.639%0.39339%0.39SS..Hα-helixtrans-61.6-45.4176.1-175.564.8000111.9N229 R230 I231 T236 W237N229-L233 PolarHBondContact O-N 3.32Å; R230-L233 WeakPolarHBondContact O-CB 3.32Å; R230-L233 PolarHBondContact O-N 2.92Å; I231-L233 VanDerWaalsContact C-N 3.3Å; I231-L233 PolarHBondContact O-N 3.4Å; L233-T236 WeakPolarHBondContact CA-OG1 2.93Å; L233-T236 PolarHBondContact O-N 3.37Å; L233-T236 PolarHBondContact O-OG1 3.16Å; L233-W237 PolarHBondContact O-N 2.96Å
234I63.7Low62.1Low21 Ų2175.6 Ų75.611%0.10838%0.382CS..Hα-helixtrans-66.9-40.3178.4-59.7164000110.8F18 L22 R230 I231 T236 W237 V238F18-I234 HydrophobicContact CE1-CD1 4.19Å; F18-I234 HydrophobicContact CE1-CG2 3.82Å; F18-I234 HydrophobicContact CZ-CG2 4.07Å; L22-I234 HydrophobicContact CD2-CG2 4Å; R230-I234 WeakPolarHBondContact O-CG1 3.47Å; R230-I234 PolarHBondContact O-N 2.91Å; I231-I234 PolarHBondContact O-N 3.48Å; I234-T236 VanDerWaalsContact C-N 3.33Å; I234-T236 PolarHBondContact O-N 2.94Å; I234-W237 WeakPolarHBondContact O-CB 3.18Å; I234-W237 PolarHBondContact O-N 3.47Å; I234-W237 VanDerWaalsContact O-N 3.15Å; I234-V238 HydrophobicContact CG2-CG2 4.27Å; I234-V238 WeakPolarHBondContact O-CG2 3.26Å; I234-V238 PolarHBondContact O-N 3.23Å
235E63.8Low62.4Low136 Ų13676.6 Ų76.664%0.63639%0.385SS*.Hα-helixtrans-59.9-42.8174.3-172.7179.1-174.100111.5I231 A232 W237 V238 Y239I231-E235 WeakPolarHBondContact O-CB 3.3Å; I231-E235 PolarHBondContact O-N 3.3Å; A232-E235 PolarHBondContact O-N 3.07Å; E235-W237 VanDerWaalsContact C-N 3.31Å; E235-W237 PolarHBondContact O-N 2.72Å; E235-V238 PolarHBondContact O-N 3.02Å; E235-Y239 WeakPolarHBondContact O-CB 3.21Å; E235-Y239 PolarHBondContact O-N 3.19Å
236T67.1Low62.3Low71 Ų7180.1 Ų80.144%0.43640%0.395SS..Hα-helixtrans-62.7-37.8174.457.10000112A232 L233 I234 Y239 E240A232-T236 VanDerWaalsContact O-CG2 3.3Å; A232-T236 WeakPolarHBondContact O-CG2 3.37Å; A232-T236 PolarHBondContact O-N 2.76Å; A232-T236 PolarHBondContact O-OG1 2.99Å; L233-T236 WeakPolarHBondContact CA-OG1 2.93Å; L233-T236 PolarHBondContact O-N 3.37Å; L233-T236 PolarHBondContact O-OG1 3.16Å; I234-T236 VanDerWaalsContact C-N 3.33Å; I234-T236 PolarHBondContact O-N 2.94Å; T236-Y239 PolarHBondContact O-N 3.26Å; T236-E240 WeakPolarHBondContact O-CB 3.33Å; T236-E240 VanDerWaalsContact O-CG 3.25Å; T236-E240 WeakPolarHBondContact O-CG 3.11Å; T236-E240 PolarHBondContact O-N 3.03Å
237W62.3Low61.9Low51 Ų5179.7 Ų79.719%0.19341%0.408CS..Hα-helixtrans-66.2-41.4175.3-73.611.4000112.6F26 Y34 E37 L233 I234 E235 Y239 D241F26-W237 HydrophobicContact CZ-CE3 4.41Å; Y34-W237 HydrophobicContact CD1-CE3 4.33Å; Y34-W237 HydrophobicContact CD1-CH2 4.24Å; Y34-W237 HydrophobicContact CD1-CZ3 4Å; E37-W237 HydrophobicContact CB-CH2 3.97Å; E37-W237 WeakPolarHBondContact OE2-CH2 3.23Å; E37-W237 VanDerWaalsContact OE2-CZ2 3.23Å; E37-W237 WeakPolarHBondContact OE2-CZ2 3.09Å; L233-W237 PolarHBondContact O-N 2.96Å; I234-W237 WeakPolarHBondContact O-CB 3.18Å; I234-W237 PolarHBondContact O-N 3.47Å; I234-W237 VanDerWaalsContact O-N 3.15Å; E235-W237 VanDerWaalsContact C-N 3.31Å; E235-W237 PolarHBondContact O-N 2.72Å; W237-Y239 VanDerWaalsContact C-N 3.28Å; W237-Y239 PolarHBondContact O-N 3.4Å; W237-D241 PolarHBondContact O-N 3.18Å; W237-D241 VanDerWaalsContact O-N 3.12Å
238V60.3Low61.4Low51 Ų5182.4 Ų82.431%0.30944%0.44SS..Hα-helixtrans-62.1-38175.3179.20000111.1I234 E235 D241 P242 F245I234-V238 HydrophobicContact CG2-CG2 4.27Å; I234-V238 WeakPolarHBondContact O-CG2 3.26Å; I234-V238 PolarHBondContact O-N 3.23Å; E235-V238 PolarHBondContact O-N 3.02Å; V238-D241 CarbonylContact O-C 3.46Å; V238-P242 WeakPolarHBondContact O-CA 3.33Å; V238-F245 HydrophobicContact CB-CD2 4.09Å; V238-F245 HydrophobicContact CB-CE2 3.69Å; V238-F245 HydrophobicContact CB-CZ 4.37Å; V238-F245 HydrophobicContact CG1-CD2 3.68Å; V238-F245 HydrophobicContact CG1-CE2 3.8Å; V238-F245 HydrophobicContact CG1-CG 4.41Å; V238-F245 HydrophobicContact CG2-CD2 3.93Å; V238-F245 HydrophobicContact CG2-CE1 4.3Å; V238-F245 HydrophobicContact CG2-CE2 3.14Å; V238-F245 HydrophobicContact CG2-CZ 3.35Å
239Y62Low60.5Low184 Ų18482.8 Ų82.872%0.72246%0.461SS*.Hα-helixtrans-73.6-43.7179.7-179.2-94.4000112.8E235 T236 W237E235-Y239 WeakPolarHBondContact O-CB 3.21Å; E235-Y239 PolarHBondContact O-N 3.19Å; T236-Y239 PolarHBondContact O-N 3.26Å; W237-Y239 VanDerWaalsContact C-N 3.28Å; W237-Y239 PolarHBondContact O-N 3.4Å
240E63.7Low59.4Low151 Ų15181.4 Ų81.471%0.70647%0.469SS*.Hα-helixtrans-67.5-36.9-179.4-73.6-65.6159.400112.4T236T236-E240 WeakPolarHBondContact O-CB 3.33Å; T236-E240 VanDerWaalsContact O-CG 3.25Å; T236-E240 WeakPolarHBondContact O-CG 3.11Å; T236-E240 PolarHBondContact O-N 3.03Å
241D58.6Low58.3Low56 Ų5683.4 Ų83.430%0.29950%0.497SS..  trans-131.286.4173.2-169.6-6.1000111.6W237 V238 T243 L244W237-D241 PolarHBondContact O-N 3.18Å; W237-D241 VanDerWaalsContact O-N 3.12Å; V238-D241 CarbonylContact O-C 3.46Å; D241-T243 PolarHBondContact O-N 2.83Å; D241-T243 VanDerWaalsContact O-N 3.08Å; D241-T243 VanDerWaalsContact OD1-CB 3.29Å; D241-T243 WeakPolarHBondContact OD1-CB 3.43Å; D241-T243 PolarHBondContact OD1-N 3.43Å; D241-T243 PolarHBondContact OD1-OG1 3Å; D241-L244 HydrophobicContact CB-CD1 3.74Å; D241-L244 HydrophobicContact CB-CG 3.78Å; D241-L244 WeakPolarHBondContact O-CB 3.3Å; D241-L244 WeakPolarHBondContact O-CG 3.46Å; D241-L244 PolarHBondContact O-N 3.43Å; D241-L244 VanDerWaalsContact O-N 3.15Å
242P60Low57.6Low86 Ų8691.6 Ų91.656%0.55852%0.524SS*.G310 helixtrans-62.8-17.5177.9-18.229.9000112.8V238 L244 F245 R246V238-P242 WeakPolarHBondContact O-CA 3.33Å; P242-L244 PolarHBondContact O-N 3.02Å; P242-F245 PolarHBondContact O-N 2.89Å; P242-R246 PolarHBondContact O-N 3.37Å
243T64.4Low56.5Low92 Ų9297.3 Ų97.356%0.56455%0.547SS*.G310 helixtrans-72.2-20.6-179.276.40000111.9D241 F245 R246D241-T243 PolarHBondContact O-N 2.83Å; D241-T243 VanDerWaalsContact O-N 3.08Å; D241-T243 VanDerWaalsContact OD1-CB 3.29Å; D241-T243 WeakPolarHBondContact OD1-CB 3.43Å; D241-T243 PolarHBondContact OD1-N 3.43Å; D241-T243 PolarHBondContact OD1-OG1 3Å; T243-F245 PolarHBondContact O-N 2.96Å; T243-F245 VanDerWaalsContact O-N 3.15Å; T243-R246 PolarHBondContact O-N 3.15Å
244L54.9Low55.5Low19 Ų19102.7 Ų102.710%0.09959%0.591CS.*G310 helixtrans-61-23.1176-62.5176.5000113.4F26 D241 P242F26-L244 HydrophobicContact CE1-CB 4.47Å; F26-L244 HydrophobicContact CE1-CD1 4.01Å; F26-L244 HydrophobicContact CE1-CD2 4.01Å; F26-L244 HydrophobicContact CE1-CG 4.37Å; F26-L244 HydrophobicContact CZ-CD1 4.45Å; D241-L244 HydrophobicContact CB-CD1 3.74Å; D241-L244 HydrophobicContact CB-CG 3.78Å; D241-L244 WeakPolarHBondContact O-CB 3.3Å; D241-L244 WeakPolarHBondContact O-CG 3.46Å; D241-L244 PolarHBondContact O-N 3.43Å; D241-L244 VanDerWaalsContact O-N 3.15Å; P242-L244 PolarHBondContact O-N 3.02Å
245F53.9Low55.1Low69 Ų69106.8 Ų106.830%0.30362%0.615SS.*THydrogen-bonded Turntrans-116.4-7.4-178.5-63.5-86.9000113.9L22 V238 P242 T243 G247L22-F245 HydrophobicContact CD1-CE1 3.5Å; L22-F245 HydrophobicContact CD1-CE2 4.47Å; L22-F245 HydrophobicContact CD1-CZ 3.36Å; V238-F245 HydrophobicContact CB-CD2 4.09Å; V238-F245 HydrophobicContact CB-CE2 3.69Å; V238-F245 HydrophobicContact CB-CZ 4.37Å; V238-F245 HydrophobicContact CG1-CD2 3.68Å; V238-F245 HydrophobicContact CG1-CE2 3.8Å; V238-F245 HydrophobicContact CG1-CG 4.41Å; V238-F245 HydrophobicContact CG2-CD2 3.93Å; V238-F245 HydrophobicContact CG2-CE1 4.3Å; V238-F245 HydrophobicContact CG2-CE2 3.14Å; V238-F245 HydrophobicContact CG2-CZ 3.35Å; P242-F245 PolarHBondContact O-N 2.89Å; T243-F245 PolarHBondContact O-N 2.96Å; T243-F245 VanDerWaalsContact O-N 3.15Å; F245-G247 PolarHBondContact O-N 3.21Å
246R59.6Low54.6Low208 Ų208105.3 Ų105.379%0.78561%0.614SS**SBendtrans-79.576.3173.1-167.9176-128.3-122.41.6107.8P242 T243 G248P242-R246 PolarHBondContact O-N 3.37Å; T243-R246 PolarHBondContact O-N 3.15Å; R246-G248 PolarHBondContact O-N 3.25Å
247G49.6Very low53.9Low58 Ų58107.2 Ų107.260%0.59862%0.624SS**  trans-39.3118.1174.700000109.7F245 G249F245-G247 PolarHBondContact O-N 3.21Å; G247-G249 PolarHBondContact O-N 3.05Å
248G46.4Very low53.4Low76 Ų76110.5 Ų110.578%0.78465%0.649SS**  trans-59.577.5-170.600000112.7R246R246-G248 PolarHBondContact O-N 3.25Å
249G44.6Very low53Low77 Ų77114.2 Ų114.279%0.79467%0.671SS**  trans-89.5101.8169.600000109.2G247G247-G249 PolarHBondContact O-N 3.05Å
250G43.8Very low52.4Low65 Ų65109.5 Ų109.567%0.6767%0.667SS**  trans98.764.9151.800000117.2R252G250-R252 VanDerWaalsContact C-N 3.25Å; G250-R252 PolarHBondContact O-N 3.43Å
251A41.8Very low51.6Low96 Ų96106.6 Ų106.679%0.79367%0.665SS**  trans-81.381142.600000108.2I253A251-I253 VanDerWaalsContact C-N 3.33Å; A251-I253 PolarHBondContact O-N 2.92Å
252R48.5Very low51.1Low238 Ų238110.5 Ų110.590%0.89869%0.693SS**  trans-79.890.7161.6-56-175.788.1-136.85.2106.4G250G250-R252 VanDerWaalsContact C-N 3.25Å; G250-R252 PolarHBondContact O-N 3.43Å
253I46.7Very low50.3Low163 Ų163112.5 Ų112.584%0.83670%0.704SS**  trans-88.1101162.238.2167.9000107.7A251A251-I253 VanDerWaalsContact C-N 3.33Å; A251-I253 PolarHBondContact O-N 2.92Å
254S49.5Very low49Very low189 Ų189114.4 Ų114.4100%1.32272%0.716SS**  trans-157.90144.1-164.20000109.6

Retrieved 254 of 254 residues in 309.4 ms (Link to these results)

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