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Phosphatidate cytidylyltransferase

Transferase that catalyzes the synthesis of a CDP-diacylglycerol (CDP-DAG), the activated form of a phosphatidate.

AlphaFold DB (Q2G1Z6), UniProt , Accession Q99UL1, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene cdsA, Length 260 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
1M69.3Low85.5Confident202 Ų202100.5 Ų100.5100%0.99552%0.52SS*.  0-50.70-64.6-176.882.700112.5V3 R4 T5M1-V3 PolarHBondContact O-N 2.93Å; M1-R4 PolarHBondContact O-N 3.39Å; M1-T5 PolarHBondContact O-N 3.37Å; M1-T5 PolarHBondContact O-OG1 2.94Å
2K81.1Confident85.9Confident190 Ų19099.8 Ų99.883%0.82652%0.517SS*.Hα-helixtrans-47.6-48.6-178.9-64.5-174.6179.6-177.60115.1R4 T5 L6K2-R4 VanDerWaalsContact C-N 3.35Å; K2-R4 PolarHBondContact O-N 3.39Å; K2-T5 PolarHBondContact O-N 3.23Å; K2-L6 WeakPolarHBondContact O-CB 3.45Å; K2-L6 PolarHBondContact O-N 3.39Å
3V84.8Confident86.5Confident93 Ų93100.8 Ų100.856%0.56452%0.522SS*.Hα-helixtrans-60-42.8180179.50000111.9M1 L6 T7 P234M1-V3 PolarHBondContact O-N 2.93Å; V3-L6 PolarHBondContact O-N 2.91Å; V3-T7 PolarHBondContact O-N 2.93Å; V3-T7 PolarHBondContact O-OG1 3.1Å; V3-P234 HydrophobicContact CG1-CB 4.12Å
4R83.9Confident87.1Confident156 Ų15698.9 Ų98.959%0.58952%0.517SS*.Hα-helixtrans-62.8-55.2179.1-74-175.9173.3162.94.1110.4M1 K2 L6 T7 A8 G235 H236M1-R4 PolarHBondContact O-N 3.39Å; K2-R4 VanDerWaalsContact C-N 3.35Å; K2-R4 PolarHBondContact O-N 3.39Å; R4-L6 PolarHBondContact O-N 3.26Å; R4-T7 PolarHBondContact O-N 3.45Å; R4-T7 VanDerWaalsContact O-N 3.13Å; R4-A8 PolarHBondContact O-N 3.24Å; R4-G235 PolarHBondContact NE-O 3.5Å; R4-H236 PolarHBondContact O-CE1 2.91Å
5T84.3Confident87.5Confident83 Ų8394.5 Ų94.551%0.50949%0.492SS..Hα-helixtrans-56-41.1-179.2-48.60000111.6M1 K2 A8 I9M1-T5 PolarHBondContact O-N 3.37Å; M1-T5 PolarHBondContact O-OG1 2.94Å; K2-T5 PolarHBondContact O-N 3.23Å; T5-A8 PolarHBondContact O-N 2.86Å; T5-I9 HydrophobicContact CG2-CD1 3.9Å; T5-I9 WeakPolarHBondContact O-CB 3.17Å; T5-I9 WeakPolarHBondContact O-CD1 3.07Å; T5-I9 WeakPolarHBondContact O-CG1 3.31Å; T5-I9 PolarHBondContact O-N 2.89Å
6L88.9Confident88Confident104 Ų10493.4 Ų93.455%0.54549%0.487SS..Hα-helixtrans-63.7-48.4176.8-175.463.6000112.6K2 V3 R4 A8 I9 I10K2-L6 WeakPolarHBondContact O-CB 3.45Å; K2-L6 PolarHBondContact O-N 3.39Å; V3-L6 PolarHBondContact O-N 2.91Å; R4-L6 PolarHBondContact O-N 3.26Å; L6-A8 VanDerWaalsContact C-N 3.31Å; L6-A8 PolarHBondContact O-N 3.42Å; L6-I9 PolarHBondContact O-N 3.28Å; L6-I10 HydrophobicContact CD1-CD1 4.05Å; L6-I10 HydrophobicContact CD1-CG1 4.34Å; L6-I10 HydrophobicContact CG-CD1 3.83Å; L6-I10 HydrophobicContact CG-CG1 4.49Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.03Å
7T88Confident88.5Confident20 Ų2092.4 Ų92.412%0.12349%0.487CS..Hα-helixtrans-59.2-42.6178.1-53.70000111.6V3 R4 I10 A11 L233 P234V3-T7 PolarHBondContact O-N 2.93Å; V3-T7 PolarHBondContact O-OG1 3.1Å; R4-T7 PolarHBondContact O-N 3.45Å; R4-T7 VanDerWaalsContact O-N 3.13Å; T7-I10 PolarHBondContact O-N 3.13Å; T7-A11 VanDerWaalsContact O-CB 3.31Å; T7-A11 WeakPolarHBondContact O-CB 3.27Å; T7-A11 PolarHBondContact O-N 3.19Å; T7-L233 HydrophobicContact CG2-CB 4.09Å; T7-L233 HydrophobicContact CG2-CD2 4.29Å; T7-P234 PolarHBondContact OG1-O 2.66Å
8A87.3Confident88.9Confident43 Ų4389.1 Ų89.136%0.35547%0.469SS..Hα-helixtrans-64.5-42.9178.700000111.8R4 T5 L6 A11 L12R4-A8 PolarHBondContact O-N 3.24Å; T5-A8 PolarHBondContact O-N 2.86Å; L6-A8 VanDerWaalsContact C-N 3.31Å; L6-A8 PolarHBondContact O-N 3.42Å; A8-A11 PolarHBondContact O-N 2.99Å; A8-L12 WeakPolarHBondContact O-CB 3.38Å; A8-L12 PolarHBondContact O-N 3.31Å
9I90.6Very high89.3Confident84 Ų8484.5 Ų84.543%0.43145%0.445SS..Hα-helixtrans-62.9-46.2176.4-70.4166.9000110.6T5 L6 L12 I13T5-I9 HydrophobicContact CG2-CD1 3.9Å; T5-I9 WeakPolarHBondContact O-CB 3.17Å; T5-I9 WeakPolarHBondContact O-CD1 3.07Å; T5-I9 WeakPolarHBondContact O-CG1 3.31Å; T5-I9 PolarHBondContact O-N 2.89Å; L6-I9 PolarHBondContact O-N 3.28Å; I9-L12 PolarHBondContact O-N 3.23Å; I9-I13 HydrophobicContact CG2-CD1 3.61Å; I9-I13 HydrophobicContact CG2-CG1 4.29Å; I9-I13 WeakPolarHBondContact O-CB 3.46Å; I9-I13 VanDerWaalsContact O-CG1 3.26Å; I9-I13 WeakPolarHBondContact O-CG1 3.21Å; I9-I13 PolarHBondContact O-N 2.98Å
10I91.7Very high89.7Confident91 Ų9184.8 Ų84.847%0.46745%0.447SS..Hα-helixtrans-62.2-47.2178.5-67.8168.2000110.6L6 T7 L12 I13 V14L6-I10 HydrophobicContact CD1-CD1 4.05Å; L6-I10 HydrophobicContact CD1-CG1 4.34Å; L6-I10 HydrophobicContact CG-CD1 3.83Å; L6-I10 HydrophobicContact CG-CG1 4.49Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.03Å; T7-I10 PolarHBondContact O-N 3.13Å; I10-L12 VanDerWaalsContact C-N 3.27Å; I10-L12 PolarHBondContact O-N 2.96Å; I10-I13 PolarHBondContact O-N 3.41Å; I10-V14 WeakPolarHBondContact O-CG2 3.49Å; I10-V14 PolarHBondContact O-N 3.2Å
11A90.5Very high90Very high39 Ų3988 Ų8832%0.32246%0.457SS..Hα-helixtrans-57.3-44177.400000110.9T7 A8 V14 F15T7-A11 VanDerWaalsContact O-CB 3.31Å; T7-A11 WeakPolarHBondContact O-CB 3.27Å; T7-A11 PolarHBondContact O-N 3.19Å; A8-A11 PolarHBondContact O-N 2.99Å; A11-V14 PolarHBondContact O-N 3.05Å; A11-F15 WeakPolarHBondContact O-CB 3.26Å; A11-F15 PolarHBondContact O-N 3.44Å
12L90.5Very high91.2Very high92 Ų9278.5 Ų78.548%0.48241%0.411SS..Hα-helixtrans-65.8-42.3177.5-174.563.2000112.7A8 I9 I10 V14 F15 L16A8-L12 WeakPolarHBondContact O-CB 3.38Å; A8-L12 PolarHBondContact O-N 3.31Å; I9-L12 PolarHBondContact O-N 3.23Å; I10-L12 VanDerWaalsContact C-N 3.27Å; I10-L12 PolarHBondContact O-N 2.96Å; L12-V14 VanDerWaalsContact C-N 3.28Å; L12-V14 PolarHBondContact O-N 2.99Å; L12-F15 PolarHBondContact O-N 3.4Å; L12-L16 HydrophobicContact CD1-CB 4.45Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 PolarHBondContact O-N 3.06Å
13I94.1Very high91.9Very high114 Ų11472.1 Ų72.159%0.58540%0.399SS*.Hα-helixtrans-62.1-35.8177.7-73.4169.7000111.4I9 I10 P17I9-I13 HydrophobicContact CG2-CD1 3.61Å; I9-I13 HydrophobicContact CG2-CG1 4.29Å; I9-I13 WeakPolarHBondContact O-CB 3.46Å; I9-I13 VanDerWaalsContact O-CG1 3.26Å; I9-I13 WeakPolarHBondContact O-CG1 3.21Å; I9-I13 PolarHBondContact O-N 2.98Å; I10-I13 PolarHBondContact O-N 3.41Å; I13-P17 WeakPolarHBondContact O-CD 3.49Å; I13-P17 VanDerWaalsContact O-CG 3.23Å; I13-P17 WeakPolarHBondContact O-CG 3.21Å
14V93.8Very high92.5Very high74 Ų7473.2 Ų73.245%0.44840%0.401SS..Hα-helixtrans-77.5-45.2175.9174.30000110.8I10 A11 L12 I18 F29I10-V14 WeakPolarHBondContact O-CG2 3.49Å; I10-V14 PolarHBondContact O-N 3.2Å; A11-V14 PolarHBondContact O-N 3.05Å; L12-V14 VanDerWaalsContact C-N 3.28Å; L12-V14 PolarHBondContact O-N 2.99Å; V14-I18 HydrophobicContact CG1-CD1 4.06Å; V14-I18 WeakPolarHBondContact O-CD1 3.41Å; V14-I18 WeakPolarHBondContact O-CG1 3.34Å; V14-F29 HydrophobicContact CG1-CE2 4.46Å
15F94Very high93.1Very high33 Ų3368.4 Ų68.415%0.14539%0.389CS..Hα-helixtrans-66.6-46.1-173.7178.5-101.9000112.8A11 L12 I18 L19 F29 F122 F137 F243A11-F15 WeakPolarHBondContact O-CB 3.26Å; A11-F15 PolarHBondContact O-N 3.44Å; L12-F15 PolarHBondContact O-N 3.4Å; F15-I18 PolarHBondContact O-N 2.93Å; F15-L19 HydrophobicContact CE1-CB 4.25Å; F15-L19 HydrophobicContact CE1-CD1 4.46Å; F15-L19 HydrophobicContact CE1-CD2 3.88Å; F15-L19 HydrophobicContact CE1-CG 4.43Å; F15-L19 HydrophobicContact CZ-CB 4.35Å; F15-L19 HydrophobicContact CZ-CD1 4.05Å; F15-L19 HydrophobicContact CZ-CD2 4.31Å; F15-L19 HydrophobicContact CZ-CG 4.47Å; F15-L19 WeakPolarHBondContact O-CB 3.31Å; F15-L19 PolarHBondContact O-N 3.03Å; F15-F29 AromaticContact CD2-CE1 3.78Å; F15-F29 HydrophobicContact CD2-CE1 3.78Å; F15-F29 HydrophobicContact CD2-CZ 4.29Å; F15-F29 HydrophobicContact CE2-CE1 4.23Å; F15-F122 HydrophobicContact CE2-CE1 4.22Å; F15-F122 HydrophobicContact CE2-CE2 4.29Å; F15-F122 AromaticContact CE2-CZ 3.5Å; F15-F122 HydrophobicContact CE2-CZ 3.5Å; F15-F122 HydrophobicContact CZ-CE2 4.06Å; F15-F122 AromaticContact CZ-CZ 3.66Å; F15-F122 HydrophobicContact CZ-CZ 3.66Å; F15-F137 AromaticContact CE1-CE2 3.62Å; F15-F137 HydrophobicContact CE1-CE2 3.62Å; F15-F137 AromaticContact CE1-CZ 3.95Å; F15-F137 HydrophobicContact CE1-CZ 3.95Å; F15-F137 AromaticContact CZ-CE2 3.66Å; F15-F137 HydrophobicContact CZ-CE2 3.66Å; F15-F137 AromaticContact CZ-CZ 3.55Å; F15-F137 HydrophobicContact CZ-CZ 3.55Å; F15-F243 HydrophobicContact CE2-CZ 4.28Å
16L94.5Very high93.7Very high77 Ų7764.5 Ų64.540%0.40337%0.365SS..Hα-helixtrans-65.1-47.3-169.8-17764.8000113.3L12 I18 L19 L20L12-L16 HydrophobicContact CD1-CB 4.45Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 PolarHBondContact O-N 3.06Å; L16-I18 VanDerWaalsContact C-N 3.29Å; L16-I18 PolarHBondContact O-N 3.47Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-L20 HydrophobicContact CD1-CD1 4.23Å; L16-L20 HydrophobicContact CD1-CG 4.16Å; L16-L20 HydrophobicContact CG-CD1 4.03Å; L16-L20 HydrophobicContact CG-CG 4.38Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 2.71Å
17P96.5Very high94.1Very high76 Ų7661.4 Ų61.449%0.49435%0.348SS..Hα-helixtrans-61.2-36.8176.2-2435.4000113.1I13 L20 K21I13-P17 WeakPolarHBondContact O-CD 3.49Å; I13-P17 VanDerWaalsContact O-CG 3.23Å; I13-P17 WeakPolarHBondContact O-CG 3.21Å; P17-L20 PolarHBondContact O-N 2.82Å; P17-K21 WeakPolarHBondContact O-CB 3.43Å; P17-K21 PolarHBondContact O-N 3.47Å
18I96.7Very high94.6Very high32 Ų3264.7 Ų64.716%0.16436%0.364CS..Hα-helixtrans-66.9-45.3178-64.7173.7000110.2V14 F15 L16 K21 G22 V25 L26 F29V14-I18 HydrophobicContact CG1-CD1 4.06Å; V14-I18 WeakPolarHBondContact O-CD1 3.41Å; V14-I18 WeakPolarHBondContact O-CG1 3.34Å; F15-I18 PolarHBondContact O-N 2.93Å; L16-I18 VanDerWaalsContact C-N 3.29Å; L16-I18 PolarHBondContact O-N 3.47Å; I18-K21 PolarHBondContact O-N 2.96Å; I18-G22 PolarHBondContact O-N 3.15Å; I18-V25 HydrophobicContact CG2-CG1 4.28Å; I18-L26 HydrophobicContact CG2-CB 4.38Å; I18-L26 HydrophobicContact CG2-CD1 3.92Å; I18-F29 HydrophobicContact CD1-CB 4.46Å; I18-F29 HydrophobicContact CD1-CD1 4.41Å; I18-F29 HydrophobicContact CD1-CD2 3.66Å; I18-F29 HydrophobicContact CD1-CE2 3.91Å; I18-F29 HydrophobicContact CD1-CG 3.92Å; I18-F29 HydrophobicContact CD1-CZ 4.39Å; I18-F29 HydrophobicContact CG2-CB 3.8Å; I18-F29 HydrophobicContact CG2-CD1 3.83Å; I18-F29 HydrophobicContact CG2-CG 3.85Å
19L96.9Very high95.1Very high3 Ų364.4 Ų64.42%0.01635%0.354CS..Hα-helixtrans-60.3-45.4175.5-176.776.2000111.8F15 L16 G22 F122 R126 I133 F137F15-L19 HydrophobicContact CE1-CB 4.25Å; F15-L19 HydrophobicContact CE1-CD1 4.46Å; F15-L19 HydrophobicContact CE1-CD2 3.88Å; F15-L19 HydrophobicContact CE1-CG 4.43Å; F15-L19 HydrophobicContact CZ-CB 4.35Å; F15-L19 HydrophobicContact CZ-CD1 4.05Å; F15-L19 HydrophobicContact CZ-CD2 4.31Å; F15-L19 HydrophobicContact CZ-CG 4.47Å; F15-L19 WeakPolarHBondContact O-CB 3.31Å; F15-L19 PolarHBondContact O-N 3.03Å; L16-L19 PolarHBondContact O-N 3.39Å; L19-G22 PolarHBondContact O-N 3.38Å; L19-F122 HydrophobicContact CD1-CE2 4.04Å; L19-F122 HydrophobicContact CD1-CZ 4.04Å; L19-R126 HydrophobicContact CD1-CG 4.43Å; L19-R126 PolarHBondContact O-NE 3.46Å; L19-I133 HydrophobicContact CD1-CG1 4.11Å; L19-I133 HydrophobicContact CD1-CG2 4.1Å; L19-F137 HydrophobicContact CD1-CE2 4.12Å; L19-F137 HydrophobicContact CD2-CD2 4.27Å; L19-F137 HydrophobicContact CD2-CE2 3.71Å
20L96.5Very high95.4Very high90 Ų9060.4 Ų60.447%0.47133%0.334SS..Hα-helixtrans-64.7-41.8179.8-69.6175.5000111.1L16 P17 R126 L130L16-L20 HydrophobicContact CD1-CD1 4.23Å; L16-L20 HydrophobicContact CD1-CG 4.16Å; L16-L20 HydrophobicContact CG-CD1 4.03Å; L16-L20 HydrophobicContact CG-CG 4.38Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 2.71Å; P17-L20 PolarHBondContact O-N 2.82Å; L20-R126 PolarHBondContact O-NH2 3.13Å; L20-L130 HydrophobicContact CD2-CD1 4.31Å; L20-L130 HydrophobicContact CD2-CD2 3.99Å
21K96.3Very high95.8Very high152 Ų15257.1 Ų57.166%0.66132%0.318SS*.Hα-helixtrans-64.8-41.8176.4-174.1173.2-179.3175.60112.7P17 I18 V25P17-K21 WeakPolarHBondContact O-CB 3.43Å; P17-K21 PolarHBondContact O-N 3.47Å; I18-K21 PolarHBondContact O-N 2.96Å; K21-V25 HydrophobicContact CD-CB 4.18Å; K21-V25 HydrophobicContact CD-CG1 4.42Å; K21-V25 HydrophobicContact CD-CG2 3.9Å
22G95Very high96.1Very high3 Ų359.6 Ų59.63%0.03132%0.324CS..  trans63.4-157.8-178.800000113.9I18 L19 L26I18-G22 PolarHBondContact O-N 3.15Å; L19-G22 PolarHBondContact O-N 3.38Å; G22-L26 PolarHBondContact O-N 3.31Å
23G95.4Very high96.5Very high55 Ų5555.9 Ų55.957%0.56731%0.305SS*.Hα-helixtrans59.2-145.6175.200000114.2V25 L26 M27G23-V25 VanDerWaalsContact C-N 3.25Å; G23-V25 PolarHBondContact O-N 3.21Å; G23-L26 PolarHBondContact O-N 3.26Å; G23-L26 VanDerWaalsContact O-N 3.14Å; G23-M27 PolarHBondContact O-N 2.93Å
24L96.1Very high96.7Very high117 Ų11750.4 Ų50.461%0.61328%0.277SS*.Hα-helixtrans-55.8-37.2-176.1-178.259.4000113.2M27 I28L24-M27 HydrophobicContact CD1-CE 3.63Å; L24-M27 PolarHBondContact O-N 3.02Å; L24-I28 HydrophobicContact CD1-CD1 4.04Å; L24-I28 HydrophobicContact CD1-CG1 4.22Å; L24-I28 HydrophobicContact CG-CD1 3.95Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.37Å
25V97.1Very high96.9Very high55 Ų5549.3 Ų49.333%0.33327%0.268SS..Hα-helixtrans-66.2-43.7-179.3-179.70000110.9I18 K21 G23 F29I18-V25 HydrophobicContact CG2-CG1 4.28Å; K21-V25 HydrophobicContact CD-CB 4.18Å; K21-V25 HydrophobicContact CD-CG1 4.42Å; K21-V25 HydrophobicContact CD-CG2 3.9Å; G23-V25 VanDerWaalsContact C-N 3.25Å; G23-V25 PolarHBondContact O-N 3.21Å; V25-F29 WeakPolarHBondContact O-CB 3.35Å; V25-F29 PolarHBondContact O-N 3.39Å
26L97.7Very high97.1Very high1 Ų149.7 Ų49.71%0.00527%0.271CS..Hα-helixtrans-66.2-40.2175.8-179.466.2000111.6I18 G22 G23 F29 A30 F122 R126I18-L26 HydrophobicContact CG2-CB 4.38Å; I18-L26 HydrophobicContact CG2-CD1 3.92Å; G22-L26 PolarHBondContact O-N 3.31Å; G23-L26 PolarHBondContact O-N 3.26Å; G23-L26 VanDerWaalsContact O-N 3.14Å; L26-F29 HydrophobicContact CD1-CD1 4.43Å; L26-F29 PolarHBondContact O-N 3.34Å; L26-A30 VanDerWaalsContact O-CB 3.31Å; L26-A30 WeakPolarHBondContact O-CB 3.33Å; L26-A30 PolarHBondContact O-N 3.25Å; L26-F122 HydrophobicContact CD1-CE1 3.65Å; L26-F122 HydrophobicContact CD1-CZ 3.79Å; L26-F122 HydrophobicContact CG-CE1 4.45Å; L26-R126 HydrophobicContact CD2-CB 3.6Å; L26-R126 HydrophobicContact CD2-CG 3.31Å
27M97.4Very high97.3Very high39 Ų3946 Ų4619%0.19225%0.252CS..Hα-helixtrans-62.3-45178.2-171.7-179.277.400111.8G23 L24 A30 N31 P67 Y123G23-M27 PolarHBondContact O-N 2.93Å; L24-M27 HydrophobicContact CD1-CE 3.63Å; L24-M27 PolarHBondContact O-N 3.02Å; M27-A30 PolarHBondContact O-N 3.35Å; M27-N31 PolarHBondContact O-N 3.47Å; M27-N31 PolarHBondContact O-ND2 3.44Å; M27-P67 HydrophobicContact SD-CB 3.98Å; M27-P67 HydrophobicContact SD-CG 3.88Å; M27-Y123 HydrophobicContact CB-CD2 4.3Å; M27-Y123 HydrophobicContact CB-CG 4.23Å; M27-Y123 HydrophobicContact CG-CD1 4.08Å; M27-Y123 HydrophobicContact CG-CD2 4.06Å; M27-Y123 HydrophobicContact CG-CE1 4.09Å; M27-Y123 HydrophobicContact CG-CE2 4.13Å; M27-Y123 HydrophobicContact CG-CG 4.09Å; M27-Y123 HydrophobicContact SD-CE2 4.19Å
28I97.8Very high97.3Very high89 Ų8942.4 Ų42.446%0.45623%0.229SC..Hα-helixtrans-62.4-44.9175.3-68.4168.2000110.4L24 A30 N31 I32L24-I28 HydrophobicContact CD1-CD1 4.04Å; L24-I28 HydrophobicContact CD1-CG1 4.22Å; L24-I28 HydrophobicContact CG-CD1 3.95Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.37Å; I28-A30 PolarHBondContact O-N 3.47Å; I28-N31 PolarHBondContact O-N 2.8Å; I28-I32 HydrophobicContact CG2-CD1 4.07Å; I28-I32 WeakPolarHBondContact O-CG1 3.36Å; I28-I32 PolarHBondContact O-N 3.42Å
29F97.6Very high97.4Very high36 Ų3645.9 Ų45.916%0.15824%0.242CC..Hα-helixtrans-61.9-43.2177.9178.9-106.7000112.3V14 F15 I18 V25 L26 N31 I32 L33V14-F29 HydrophobicContact CG1-CE2 4.46Å; F15-F29 AromaticContact CD2-CE1 3.78Å; F15-F29 HydrophobicContact CD2-CE1 3.78Å; F15-F29 HydrophobicContact CD2-CZ 4.29Å; F15-F29 HydrophobicContact CE2-CE1 4.23Å; I18-F29 HydrophobicContact CD1-CB 4.46Å; I18-F29 HydrophobicContact CD1-CD1 4.41Å; I18-F29 HydrophobicContact CD1-CD2 3.66Å; I18-F29 HydrophobicContact CD1-CE2 3.91Å; I18-F29 HydrophobicContact CD1-CG 3.92Å; I18-F29 HydrophobicContact CD1-CZ 4.39Å; I18-F29 HydrophobicContact CG2-CB 3.8Å; I18-F29 HydrophobicContact CG2-CD1 3.83Å; I18-F29 HydrophobicContact CG2-CG 3.85Å; V25-F29 WeakPolarHBondContact O-CB 3.35Å; V25-F29 PolarHBondContact O-N 3.39Å; L26-F29 HydrophobicContact CD1-CD1 4.43Å; L26-F29 PolarHBondContact O-N 3.34Å; F29-N31 VanDerWaalsContact C-N 3.34Å; F29-N31 PolarHBondContact O-N 2.91Å; F29-I32 PolarHBondContact O-N 3.39Å; F29-L33 HydrophobicContact CD1-CD1 3.98Å; F29-L33 HydrophobicContact CD1-CG 4.39Å; F29-L33 HydrophobicContact CE1-CD1 3.38Å; F29-L33 HydrophobicContact CE1-CG 4.01Å; F29-L33 HydrophobicContact CE2-CD2 4.38Å; F29-L33 HydrophobicContact CE2-CG 4.35Å; F29-L33 HydrophobicContact CZ-CD1 3.71Å; F29-L33 HydrophobicContact CZ-CD2 4.1Å; F29-L33 HydrophobicContact CZ-CG 3.99Å; F29-L33 WeakPolarHBondContact O-CG 3.35Å; F29-L33 PolarHBondContact O-N 2.93Å
30A98.1Very high97.4Very high0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-60.5-42.5175.200000111.6L26 M27 I28 I32 L33 A34 M65 F122 Y123L26-A30 VanDerWaalsContact O-CB 3.31Å; L26-A30 WeakPolarHBondContact O-CB 3.33Å; L26-A30 PolarHBondContact O-N 3.25Å; M27-A30 PolarHBondContact O-N 3.35Å; I28-A30 PolarHBondContact O-N 3.47Å; A30-I32 PolarHBondContact O-N 3.28Å; A30-L33 PolarHBondContact O-N 3.43Å; A30-A34 VanDerWaalsContact O-CB 3.26Å; A30-A34 WeakPolarHBondContact O-CB 3.39Å; A30-A34 PolarHBondContact O-N 3.37Å; A30-M65 HydrophobicContact CB-CE 4.24Å; A30-F122 HydrophobicContact CB-CD1 3.86Å; A30-F122 HydrophobicContact CB-CE1 4.38Å; A30-Y123 HydrophobicContact CB-CD1 4.18Å
31N98.1Very high97.5Very high23 Ų2342.4 Ų42.412%0.12322%0.224CC..Hα-helixtrans-62.2-40.5175.1-86-88.5000112.2M27 I28 F29 A34 L35 I62 M65M27-N31 PolarHBondContact O-N 3.47Å; M27-N31 PolarHBondContact O-ND2 3.44Å; I28-N31 PolarHBondContact O-N 2.8Å; F29-N31 VanDerWaalsContact C-N 3.34Å; F29-N31 PolarHBondContact O-N 2.91Å; N31-A34 PolarHBondContact O-N 3.21Å; N31-L35 WeakPolarHBondContact O-CG 3.25Å; N31-L35 PolarHBondContact O-N 2.96Å; N31-I62 HydrophobicContact CB-CD1 4.35Å; N31-I62 VanDerWaalsContact OD1-CD1 3.22Å; N31-I62 WeakPolarHBondContact OD1-CD1 3.4Å; N31-M65 HydrophobicContact CB-CE 4.4Å
32I98.1Very high97.5Very high90 Ų9035.2 Ų35.246%0.46219%0.193SC..Hα-helixtrans-62.9-48175.4-67.4166.3000110.6I28 F29 A30 A34 L35 I36I28-I32 HydrophobicContact CG2-CD1 4.07Å; I28-I32 WeakPolarHBondContact O-CG1 3.36Å; I28-I32 PolarHBondContact O-N 3.42Å; F29-I32 PolarHBondContact O-N 3.39Å; A30-I32 PolarHBondContact O-N 3.28Å; I32-A34 VanDerWaalsContact C-N 3.31Å; I32-A34 PolarHBondContact O-N 2.98Å; I32-L35 PolarHBondContact O-N 3.42Å; I32-I36 HydrophobicContact CG2-CD1 3.94Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.43Å; I32-I36 PolarHBondContact O-N 2.98Å; I32-I36 VanDerWaalsContact O-N 3.07Å
33L97.9Very high97.6Very high14 Ų1438.4 Ų38.47%0.07321%0.209CC..Hα-helixtrans-60-42.5176.9-69.7-174.8000111.8F29 A30 I36 A37 F119 I239 F243F29-L33 HydrophobicContact CD1-CD1 3.98Å; F29-L33 HydrophobicContact CD1-CG 4.39Å; F29-L33 HydrophobicContact CE1-CD1 3.38Å; F29-L33 HydrophobicContact CE1-CG 4.01Å; F29-L33 HydrophobicContact CE2-CD2 4.38Å; F29-L33 HydrophobicContact CE2-CG 4.35Å; F29-L33 HydrophobicContact CZ-CD1 3.71Å; F29-L33 HydrophobicContact CZ-CD2 4.1Å; F29-L33 HydrophobicContact CZ-CG 3.99Å; F29-L33 WeakPolarHBondContact O-CG 3.35Å; F29-L33 PolarHBondContact O-N 2.93Å; A30-L33 PolarHBondContact O-N 3.43Å; L33-I36 WeakPolarHBondContact O-CB 3.28Å; L33-I36 PolarHBondContact O-N 2.87Å; L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 3.38Å; L33-F119 HydrophobicContact CB-CD1 4.14Å; L33-F119 HydrophobicContact CB-CE1 3.52Å; L33-F119 HydrophobicContact CB-CZ 4Å; L33-F119 HydrophobicContact CD1-CE1 4.02Å; L33-F119 HydrophobicContact CG-CE1 4.45Å; L33-I239 HydrophobicContact CB-CG2 4.14Å; L33-I239 HydrophobicContact CD2-CD1 3.83Å; L33-I239 HydrophobicContact CD2-CG1 4.13Å; L33-I239 HydrophobicContact CD2-CG2 4.24Å; L33-F243 HydrophobicContact CD1-CE2 4.05Å; L33-F243 HydrophobicContact CD1-CZ 4.02Å
34A98.5Very high97.6Very high0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-65.2-40.3178.800000112.5A30 N31 I32 I36 A37 L38 L61 M65 V115 F119A30-A34 VanDerWaalsContact O-CB 3.26Å; A30-A34 WeakPolarHBondContact O-CB 3.39Å; A30-A34 PolarHBondContact O-N 3.37Å; N31-A34 PolarHBondContact O-N 3.21Å; I32-A34 VanDerWaalsContact C-N 3.31Å; I32-A34 PolarHBondContact O-N 2.98Å; A34-I36 VanDerWaalsContact C-N 3.32Å; A34-I36 PolarHBondContact O-N 3.11Å; A34-A37 PolarHBondContact O-N 3.48Å; A34-L38 VanDerWaalsContact O-CB 3.29Å; A34-L38 WeakPolarHBondContact O-CB 3.45Å; A34-L38 PolarHBondContact O-N 3.03Å; A34-L61 HydrophobicContact CB-CD1 4.35Å; A34-L61 HydrophobicContact CB-CD2 3.85Å; A34-M65 HydrophobicContact CB-CE 3.81Å; A34-M65 HydrophobicContact CB-SD 3.26Å; A34-M65 WeakPolarHBondContact CB-SD 3.33Å; A34-V115 HydrophobicContact CB-CG1 4.06Å; A34-V115 WeakPolarHBondContact O-CG1 3.19Å; A34-F119 HydrophobicContact CB-CB 3.75Å; A34-F119 HydrophobicContact CB-CD1 4.41Å; A34-F119 HydrophobicContact CB-CD2 3.78Å; A34-F119 HydrophobicContact CB-CG 3.72Å
35L98.5Very high97.5Very high50 Ų5033 Ų3326%0.26217%0.167SC..Hα-helixtrans-64.6-36.8173.9-73170.2000112.1N31 I32 K39 F49 A58 L61 I62N31-L35 WeakPolarHBondContact O-CG 3.25Å; N31-L35 PolarHBondContact O-N 2.96Å; I32-L35 PolarHBondContact O-N 3.42Å; L35-K39 WeakPolarHBondContact O-CB 3.43Å; L35-K39 PolarHBondContact O-N 3.48Å; L35-F49 HydrophobicContact CD2-CZ 4.16Å; L35-A58 HydrophobicContact CD2-CB 3.98Å; L35-L61 HydrophobicContact CD2-CD2 3.78Å; L35-L61 HydrophobicContact CG-CD2 4.04Å; L35-I62 HydrophobicContact CD1-CD1 4.17Å; L35-I62 HydrophobicContact CD2-CD1 4.31Å; L35-I62 HydrophobicContact CD2-CG1 4.48Å; L35-I62 HydrophobicContact CG-CD1 4.3Å
36I98Very high97.4Very high42 Ų4238.3 Ų38.322%0.21519%0.191CC..Hα-helixtrans-66.4-46.8174.1-66.2162.6000110.3I32 L33 A34 L38 K39 E40 I232 I239I32-I36 HydrophobicContact CG2-CD1 3.94Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.43Å; I32-I36 PolarHBondContact O-N 2.98Å; I32-I36 VanDerWaalsContact O-N 3.07Å; L33-I36 WeakPolarHBondContact O-CB 3.28Å; L33-I36 PolarHBondContact O-N 2.87Å; A34-I36 VanDerWaalsContact C-N 3.32Å; A34-I36 PolarHBondContact O-N 3.11Å; I36-L38 VanDerWaalsContact C-N 3.35Å; I36-L38 PolarHBondContact O-N 3.3Å; I36-K39 WeakPolarHBondContact O-CB 3.3Å; I36-K39 PolarHBondContact O-N 3.35Å; I36-E40 WeakPolarHBondContact O-CG 3.5Å; I36-E40 PolarHBondContact O-N 2.95Å; I36-I232 HydrophobicContact CD1-CD1 3.83Å; I36-I232 HydrophobicContact CG1-CD1 4.25Å; I36-I232 HydrophobicContact CG2-CD1 3.58Å; I36-I232 HydrophobicContact CG2-CG2 4.37Å; I36-I239 HydrophobicContact CB-CG1 4.17Å; I36-I239 HydrophobicContact CG2-CB 4.22Å; I36-I239 HydrophobicContact CG2-CG1 3.56Å
37A98.1Very high97.4Very high0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-62.2-41.3177.800000111.9L33 A34 E40 L41 V115 F119 I239 L240L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 3.38Å; A34-A37 PolarHBondContact O-N 3.48Å; A37-E40 WeakPolarHBondContact O-CB 3.26Å; A37-E40 PolarHBondContact O-N 3.43Å; A37-L41 WeakPolarHBondContact O-CB 3.36Å; A37-L41 PolarHBondContact O-N 3.01Å; A37-V115 HydrophobicContact CB-CG1 3.76Å; A37-V115 HydrophobicContact CB-CG2 4.49Å; A37-F119 HydrophobicContact CB-CE2 3.87Å; A37-F119 HydrophobicContact CB-CZ 4.46Å; A37-I239 HydrophobicContact CB-CB 4.48Å; A37-I239 HydrophobicContact CB-CG2 4.2Å; A37-L240 HydrophobicContact CB-CD1 4.31Å
38L98.5Very high97.3Very high0 Ų044.6 Ų44.60%022%0.217CC..Hα-helixtrans-61.3-45.3173.2179.565.7000111.1A34 I36 E40 L41 L42 F49 A58 L61 V112A34-L38 VanDerWaalsContact O-CB 3.29Å; A34-L38 WeakPolarHBondContact O-CB 3.45Å; A34-L38 PolarHBondContact O-N 3.03Å; I36-L38 VanDerWaalsContact C-N 3.35Å; I36-L38 PolarHBondContact O-N 3.3Å; L38-E40 VanDerWaalsContact C-N 3.33Å; L38-E40 PolarHBondContact O-N 2.87Å; L38-L41 PolarHBondContact O-N 3.39Å; L38-L42 HydrophobicContact CD1-CD1 4.09Å; L38-L42 HydrophobicContact CD1-CD2 4.48Å; L38-L42 HydrophobicContact CD1-CG 4.01Å; L38-L42 HydrophobicContact CD2-CD1 4.41Å; L38-L42 HydrophobicContact CG-CD1 3.88Å; L38-L42 HydrophobicContact CG-CG 4.2Å; L38-L42 WeakPolarHBondContact O-CB 3.21Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 2.84Å; L38-F49 HydrophobicContact CD2-CE2 4.32Å; L38-A58 HydrophobicContact CD2-CB 4.34Å; L38-L61 HydrophobicContact CB-CD1 4.16Å; L38-L61 HydrophobicContact CD2-CB 4.05Å; L38-L61 HydrophobicContact CD2-CD1 4.2Å; L38-V112 HydrophobicContact CD1-CG2 4.46Å
39K98.1Very high97.2Very high104 Ų10442.7 Ų42.745%0.45221%0.206SC..Hα-helixtrans-58.5-45.1175.1171.1-178.2174.9-169.30111.7L35 I36 N43 F49L35-K39 WeakPolarHBondContact O-CB 3.43Å; L35-K39 PolarHBondContact O-N 3.48Å; I36-K39 WeakPolarHBondContact O-CB 3.3Å; I36-K39 PolarHBondContact O-N 3.35Å; K39-N43 WeakPolarHBondContact O-CB 3.47Å; K39-N43 PolarHBondContact O-N 2.9Å; K39-N43 PolarHBondContact O-ND2 3.48Å; K39-N43 VanDerWaalsContact O-ND2 3.1Å; K39-F49 HydrophobicContact CB-CB 4.26Å; K39-F49 HydrophobicContact CB-CD2 3.57Å; K39-F49 HydrophobicContact CB-CE2 4.06Å; K39-F49 HydrophobicContact CB-CG 3.98Å; K39-F49 HydrophobicContact CD-CB 4.46Å; K39-F49 HydrophobicContact CD-CG 4.48Å; K39-F49 HydrophobicContact CG-CB 3.96Å; K39-F49 HydrophobicContact CG-CD2 4.21Å; K39-F49 HydrophobicContact CG-CG 4.14Å
40E97.4Very high97.2Very high14 Ų1446.9 Ų46.97%0.06523%0.234CC..Hα-helixtrans-58-49.9176.7-74174.7-178.800110.8I36 A37 L38 N43 M44 S229 I232 G238 I239 L240I36-E40 WeakPolarHBondContact O-CG 3.5Å; I36-E40 PolarHBondContact O-N 2.95Å; A37-E40 WeakPolarHBondContact O-CB 3.26Å; A37-E40 PolarHBondContact O-N 3.43Å; L38-E40 VanDerWaalsContact C-N 3.33Å; L38-E40 PolarHBondContact O-N 2.87Å; E40-N43 PolarHBondContact O-N 3.28Å; E40-M44 WeakPolarHBondContact O-CG 2.92Å; E40-M44 PolarHBondContact O-N 2.93Å; E40-S229 PolarHBondContact OE2-OG 2.86Å; E40-I232 WeakPolarHBondContact OE1-CG2 3.3Å; E40-G238 VanDerWaalsContact CD-CA 3.44Å; E40-G238 WeakPolarHBondContact OE1-CA 3.21Å; E40-G238 VanDerWaalsContact OE2-CA 3.27Å; E40-G238 WeakPolarHBondContact OE2-CA 3.4Å; E40-I239 PolarHBondContact OE1-N 3.07Å; E40-I239 PolarHBondContact OE2-N 3.31Å; E40-L240 PolarHBondContact OE2-N 3.4Å; E40-L240 VanDerWaalsContact OE2-N 3.13Å
41L96.9Very high97.1Very high7 Ų748.4 Ų48.44%0.03725%0.245CC..Hα-helixtrans-65.3-46.6-178.4-166.657.5000112.6A37 L38 N43 M44 F107 S111 Y114 V115 F220 L240A37-L41 WeakPolarHBondContact O-CB 3.36Å; A37-L41 PolarHBondContact O-N 3.01Å; L38-L41 PolarHBondContact O-N 3.39Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 3.44Å; L41-M44 HydrophobicContact CD1-CE 4.27Å; L41-M44 HydrophobicContact CD1-SD 4.48Å; L41-M44 WeakPolarHBondContact O-CB 3.4Å; L41-M44 PolarHBondContact O-N 2.8Å; L41-M44 VanDerWaalsContact O-N 3.13Å; L41-F107 HydrophobicContact CD1-CZ 3.94Å; L41-F107 HydrophobicContact CG-CE1 4.29Å; L41-F107 HydrophobicContact CG-CZ 3.77Å; L41-F107 WeakPolarHBondContact O-CE1 3.15Å; L41-F107 VanDerWaalsContact O-CZ 3.3Å; L41-F107 WeakPolarHBondContact O-CZ 3.34Å; L41-S111 WeakPolarHBondContact CD2-OG 3.34Å; L41-Y114 HydrophobicContact CD2-CD1 4.21Å; L41-V115 HydrophobicContact CD2-CG2 4.06Å; L41-F220 HydrophobicContact CD1-CD2 4.13Å; L41-F220 HydrophobicContact CD1-CE2 4.03Å; L41-F220 HydrophobicContact CD1-CZ 4.34Å; L41-L240 HydrophobicContact CB-CD2 4.21Å; L41-L240 HydrophobicContact CD1-CD2 3.96Å; L41-L240 HydrophobicContact CD2-CD2 4.48Å; L41-L240 HydrophobicContact CG-CD2 4.45Å
42L97.8Very high96.9Very high0 Ų050.9 Ų50.90%026%0.261CS..Hα-helixtrans-58.2-41.8175.7-70.8178.7000112.4L38 M44 N45 M46 I47 F49 F107L38-L42 HydrophobicContact CD1-CD1 4.09Å; L38-L42 HydrophobicContact CD1-CD2 4.48Å; L38-L42 HydrophobicContact CD1-CG 4.01Å; L38-L42 HydrophobicContact CD2-CD1 4.41Å; L38-L42 HydrophobicContact CG-CD1 3.88Å; L38-L42 HydrophobicContact CG-CG 4.2Å; L38-L42 WeakPolarHBondContact O-CB 3.21Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 2.84Å; L42-M44 VanDerWaalsContact C-N 3.27Å; L42-M44 PolarHBondContact O-N 2.89Å; L42-N45 CarbonylContact O-C 3.43Å; L42-N45 PolarHBondContact O-N 3.36Å; L42-M46 PolarHBondContact O-N 2.88Å; L42-I47 CarbonylContact C-O 3.4Å; L42-I47 VanDerWaalsContact C-O 3.3Å; L42-I47 HydrophobicContact CB-CB 4.25Å; L42-I47 HydrophobicContact CB-CG2 4.46Å; L42-I47 HydrophobicContact CD2-CB 4.4Å; L42-I47 HydrophobicContact CD2-CD1 4.33Å; L42-I47 HydrophobicContact CD2-CG2 4.27Å; L42-I47 PolarHBondContact O-N 3.34Å; L42-F49 HydrophobicContact CD1-CD2 4.29Å; L42-F107 HydrophobicContact CD2-CD1 4.39Å; L42-F107 HydrophobicContact CD2-CE1 4.34Å
43N96.4Very high96.9Very high71 Ų7146.9 Ų46.938%0.3824%0.24SC..Hα-helixtrans-66.9-26.6179.2-72.2-23.3000112.7K39 E40 L41 N45 M46 I47K39-N43 WeakPolarHBondContact O-CB 3.47Å; K39-N43 PolarHBondContact O-N 2.9Å; K39-N43 PolarHBondContact O-ND2 3.48Å; K39-N43 VanDerWaalsContact O-ND2 3.1Å; E40-N43 PolarHBondContact O-N 3.28Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 3.44Å; N43-N45 VanDerWaalsContact C-N 3.28Å; N43-N45 PolarHBondContact O-N 3.25Å; N43-M46 PolarHBondContact O-N 3.32Å; N43-I47 PolarHBondContact OD1-O 3.04Å
44M95Very high96.9Very high19 Ų1946.2 Ų46.29%0.09424%0.237CC..Hα-helixtrans-64-36.6174.4-60.7-168.4-146.500111.8E40 L41 L42 M46 F220 K221 F224 V226 L240E40-M44 WeakPolarHBondContact O-CG 2.92Å; E40-M44 PolarHBondContact O-N 2.93Å; L41-M44 HydrophobicContact CD1-CE 4.27Å; L41-M44 HydrophobicContact CD1-SD 4.48Å; L41-M44 WeakPolarHBondContact O-CB 3.4Å; L41-M44 PolarHBondContact O-N 2.8Å; L41-M44 VanDerWaalsContact O-N 3.13Å; L42-M44 VanDerWaalsContact C-N 3.27Å; L42-M44 PolarHBondContact O-N 2.89Å; M44-M46 PolarHBondContact O-N 3.29Å; M44-F220 HydrophobicContact CE-CD2 4.39Å; M44-F220 HydrophobicContact CE-CE2 3.95Å; M44-F220 HydrophobicContact SD-CD2 4.06Å; M44-F220 HydrophobicContact SD-CE2 4.23Å; M44-K221 HydrophobicContact SD-CG 4.39Å; M44-F224 HydrophobicContact CB-CB 4.06Å; M44-F224 HydrophobicContact CB-CD1 4.43Å; M44-F224 HydrophobicContact CB-CD2 3.72Å; M44-F224 HydrophobicContact CB-CE2 4.3Å; M44-F224 HydrophobicContact CB-CG 3.81Å; M44-F224 VanDerWaalsContact O-CD1 3.28Å; M44-F224 WeakPolarHBondContact O-CD1 3.34Å; M44-F224 HydrophobicContact SD-CD2 4.26Å; M44-V226 HydrophobicContact CG-CG2 4.28Å; M44-V226 HydrophobicContact SD-CG2 3.75Å; M44-L240 HydrophobicContact CE-CD2 4.28Å
45N95.3Very high96.9Very high38 Ų3850.5 Ų50.520%0.20326%0.259CS..THydrogen-bonded Turntrans-89.922.6173.1-163.842.2000112.5L42 N43 I47 D104 F107 F224L42-N45 CarbonylContact O-C 3.43Å; L42-N45 PolarHBondContact O-N 3.36Å; N43-N45 VanDerWaalsContact C-N 3.28Å; N43-N45 PolarHBondContact O-N 3.25Å; N45-I47 PolarHBondContact O-N 3Å; N45-D104 PolarHBondContact ND2-OD1 2.85Å; N45-F107 HydrophobicContact CB-CD1 3.69Å; N45-F107 HydrophobicContact CB-CD2 4.39Å; N45-F107 HydrophobicContact CB-CE1 3.51Å; N45-F107 HydrophobicContact CB-CE2 4.26Å; N45-F107 HydrophobicContact CB-CG 4.12Å; N45-F107 HydrophobicContact CB-CZ 3.81Å; N45-F224 HydrophobicContact CB-CE1 3.77Å; N45-F224 HydrophobicContact CB-CZ 3.89Å; N45-F224 WeakPolarHBondContact OD1-CE1 3.48Å
46M94.6Very high96.8Very high168 Ų16849.7 Ų49.783%0.82826%0.255SS*.THydrogen-bonded Turntrans58.816177.9-55.6-61.5-69.700115.2L42 N43 M44L42-M46 PolarHBondContact O-N 2.88Å; N43-M46 PolarHBondContact O-N 3.32Å; M44-M46 PolarHBondContact O-N 3.29Å
47I96.4Very high96.8Very high13 Ų1347.7 Ų47.77%0.06725%0.245CC..  trans-86.5114175.2-61169.4000108.2L42 N43 N45 F49 P53 F100 D104 F107L42-I47 CarbonylContact C-O 3.4Å; L42-I47 VanDerWaalsContact C-O 3.3Å; L42-I47 HydrophobicContact CB-CB 4.25Å; L42-I47 HydrophobicContact CB-CG2 4.46Å; L42-I47 HydrophobicContact CD2-CB 4.4Å; L42-I47 HydrophobicContact CD2-CD1 4.33Å; L42-I47 HydrophobicContact CD2-CG2 4.27Å; L42-I47 PolarHBondContact O-N 3.34Å; N43-I47 PolarHBondContact OD1-O 3.04Å; N45-I47 PolarHBondContact O-N 3Å; I47-F49 PolarHBondContact O-N 3.06Å; I47-P53 HydrophobicContact CG2-CB 4.47Å; I47-P53 HydrophobicContact CG2-CG 4.08Å; I47-F100 HydrophobicContact CD1-CE2 4.1Å; I47-D104 HydrophobicContact CD1-CB 4.17Å; I47-F107 HydrophobicContact CD1-CD1 4.18Å
48K96.3Very high96.9Very high159 Ų15948.3 Ų48.369%0.69125%0.25SC*.  trans-65.6133.3176.5-64-179.2-178.3179.10110.1V50 S51K48-V50 VanDerWaalsContact C-N 3.31Å; K48-V50 PolarHBondContact O-N 2.86Å; K48-S51 VanDerWaalsContact O-CB 3.25Å; K48-S51 WeakPolarHBondContact O-CB 3.23Å; K48-S51 PolarHBondContact O-N 3.31Å; K48-S51 PolarHBondContact O-OG 3.33Å
49F95.7Very high96.9Very high48 Ų4852.5 Ų52.521%0.21128%0.275CS..THydrogen-bonded Turntrans-56.4-42.5176.5-173.2-101.8000113.2L35 L38 K39 L42 I47 S51 G54 A58L35-F49 HydrophobicContact CD2-CZ 4.16Å; L38-F49 HydrophobicContact CD2-CE2 4.32Å; K39-F49 HydrophobicContact CB-CB 4.26Å; K39-F49 HydrophobicContact CB-CD2 3.57Å; K39-F49 HydrophobicContact CB-CE2 4.06Å; K39-F49 HydrophobicContact CB-CG 3.98Å; K39-F49 HydrophobicContact CD-CB 4.46Å; K39-F49 HydrophobicContact CD-CG 4.48Å; K39-F49 HydrophobicContact CG-CB 3.96Å; K39-F49 HydrophobicContact CG-CD2 4.21Å; K39-F49 HydrophobicContact CG-CG 4.14Å; L42-F49 HydrophobicContact CD1-CD2 4.29Å; I47-F49 PolarHBondContact O-N 3.06Å; F49-S51 PolarHBondContact O-N 3.39Å; F49-S51 VanDerWaalsContact O-N 3.13Å; F49-G54 CarbonylContact O-C 3.17Å; F49-G54 WeakPolarHBondContact O-CA 3.26Å; F49-A58 HydrophobicContact CE2-CB 4.23Å; F49-A58 HydrophobicContact CZ-CB 4.08Å
50V96.5Very high96.9Very high125 Ų12547.9 Ų47.976%0.75826%0.257SS*.THydrogen-bonded Turntrans-89.755175.7-163.90000110.4K48K48-V50 VanDerWaalsContact C-N 3.31Å; K48-V50 PolarHBondContact O-N 2.86Å
51S96.1Very high96.9Very high32 Ų3247.2 Ų47.222%0.22425%0.254CS..SBendtrans-126.1166170.168.90000109.2K48 F49 P53 G54 L55K48-S51 VanDerWaalsContact O-CB 3.25Å; K48-S51 WeakPolarHBondContact O-CB 3.23Å; K48-S51 PolarHBondContact O-N 3.31Å; K48-S51 PolarHBondContact O-OG 3.33Å; F49-S51 PolarHBondContact O-N 3.39Å; F49-S51 VanDerWaalsContact O-N 3.13Å; S51-P53 WeakPolarHBondContact OG-CD 3.43Å; S51-P53 WeakPolarHBondContact OG-CG 3.46Å; S51-G54 PolarHBondContact O-N 2.98Å; S51-G54 VanDerWaalsContact O-N 3.12Å; S51-G54 PolarHBondContact OG-N 3.47Å; S51-L55 WeakPolarHBondContact O-CB 3.03Å; S51-L55 WeakPolarHBondContact O-CG 3.45Å; S51-L55 PolarHBondContact O-N 3.06Å
52V95.6Very high97Very high75 Ų7550.1 Ų50.146%0.45527%0.269SS..Hα-helixtrans-50.4-54.9176.5176.90000112.3G54 L55 I56 Y92V52-G54 VanDerWaalsContact C-N 3.33Å; V52-G54 PolarHBondContact O-N 3.38Å; V52-L55 PolarHBondContact O-N 2.89Å; V52-I56 HydrophobicContact CG1-CD1 3.73Å; V52-I56 WeakPolarHBondContact O-CD1 3.34Å; V52-I56 VanDerWaalsContact O-CG1 3.25Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 3.44Å; V52-Y92 HydrophobicContact CB-CE2 3.92Å; V52-Y92 HydrophobicContact CG1-CD2 3.94Å; V52-Y92 HydrophobicContact CG1-CE2 3.7Å; V52-Y92 HydrophobicContact CG2-CE2 4.37Å
53P96.7Very high97Very high5 Ų552 Ų523%0.03228%0.278CS..Hα-helixtrans-65.1-35.117825.1-34000112.7I47 S51 I56 S57 Y92 F100I47-P53 HydrophobicContact CG2-CB 4.47Å; I47-P53 HydrophobicContact CG2-CG 4.08Å; S51-P53 WeakPolarHBondContact OG-CD 3.43Å; S51-P53 WeakPolarHBondContact OG-CG 3.46Å; P53-I56 PolarHBondContact O-N 3.4Å; P53-S57 WeakPolarHBondContact O-CB 3.39Å; P53-S57 PolarHBondContact O-N 2.95Å; P53-S57 PolarHBondContact O-OG 3.18Å; P53-Y92 HydrophobicContact CG-CE1 4.12Å; P53-F100 HydrophobicContact CB-CD2 4.1Å; P53-F100 HydrophobicContact CB-CE2 3.41Å; P53-F100 VanDerWaalsContact CB-CE2 3.41Å; P53-F100 HydrophobicContact CB-CZ 3.66Å; P53-F100 HydrophobicContact CG-CD2 3.93Å; P53-F100 HydrophobicContact CG-CE2 3.7Å; P53-F100 HydrophobicContact CG-CZ 4.4Å
54G97.9Very high97Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-65-41.9177.500000113.4F49 S51 V52 S57 A58F49-G54 CarbonylContact O-C 3.17Å; F49-G54 WeakPolarHBondContact O-CA 3.26Å; S51-G54 PolarHBondContact O-N 2.98Å; S51-G54 VanDerWaalsContact O-N 3.12Å; S51-G54 PolarHBondContact OG-N 3.47Å; V52-G54 VanDerWaalsContact C-N 3.33Å; V52-G54 PolarHBondContact O-N 3.38Å; G54-S57 PolarHBondContact O-N 3.39Å; G54-A58 PolarHBondContact O-N 2.73Å
55L98.1Very high97.2Very high90 Ų9048.7 Ų48.747%0.47126%0.261SS..Hα-helixtrans-69.9-38.9176.6-67.5176.3000111.8S51 V52 S57 A58 V59S51-L55 WeakPolarHBondContact O-CB 3.03Å; S51-L55 WeakPolarHBondContact O-CG 3.45Å; S51-L55 PolarHBondContact O-N 3.06Å; V52-L55 PolarHBondContact O-N 2.89Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.41Å; L55-A58 PolarHBondContact O-N 2.91Å; L55-V59 WeakPolarHBondContact O-CG2 3.42Å; L55-V59 PolarHBondContact O-N 3.49Å
56I97.8Very high97.3Very high34 Ų3449 Ų4917%0.17426%0.262CS..Hα-helixtrans-59.6-45.8172.8-68.7160.5000110V52 P53 A58 V59 G60 M85 I88 V89V52-I56 HydrophobicContact CG1-CD1 3.73Å; V52-I56 WeakPolarHBondContact O-CD1 3.34Å; V52-I56 VanDerWaalsContact O-CG1 3.25Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 3.44Å; P53-I56 PolarHBondContact O-N 3.4Å; I56-A58 VanDerWaalsContact C-N 3.35Å; I56-A58 PolarHBondContact O-N 3.4Å; I56-V59 PolarHBondContact O-N 2.72Å; I56-G60 PolarHBondContact O-N 2.91Å; I56-M85 HydrophobicContact CG2-CE 4.27Å; I56-M85 HydrophobicContact CG2-CG 3.76Å; I56-M85 HydrophobicContact CG2-SD 4.43Å; I56-I88 HydrophobicContact CD1-CG2 3.57Å; I56-I88 HydrophobicContact CG1-CG2 4.3Å; I56-V89 HydrophobicContact CG2-CG1 3.83Å
57S98.5Very high97.3Very high0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-62.7-39.5175.6-62.10000112.5P53 G54 L55 G60 L61 C108 V112P53-S57 WeakPolarHBondContact O-CB 3.39Å; P53-S57 PolarHBondContact O-N 2.95Å; P53-S57 PolarHBondContact O-OG 3.18Å; G54-S57 PolarHBondContact O-N 3.39Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.41Å; S57-G60 PolarHBondContact O-N 3.49Å; S57-L61 VanDerWaalsContact O-CB 3.31Å; S57-L61 WeakPolarHBondContact O-CB 3.37Å; S57-L61 PolarHBondContact O-N 2.89Å; S57-C108 VanDerWaalsContact OG-CB 3.29Å; S57-C108 WeakPolarHBondContact OG-CB 3.47Å; S57-C108 PolarHBondContact OG-SG 3.46Å; S57-C108 VanDerWaalsContact OG-SG 3.34Å; S57-V112 WeakPolarHBondContact O-CG2 3.31Å
58A98.6Very high97.2Very high12 Ų1243.8 Ų43.810%0.09924%0.237CC..Hα-helixtrans-63.3-44.1176.300000111.8L35 L38 F49 G54 L55 I56 L61 I62L35-A58 HydrophobicContact CD2-CB 3.98Å; L38-A58 HydrophobicContact CD2-CB 4.34Å; F49-A58 HydrophobicContact CE2-CB 4.23Å; F49-A58 HydrophobicContact CZ-CB 4.08Å; G54-A58 PolarHBondContact O-N 2.73Å; L55-A58 PolarHBondContact O-N 2.91Å; I56-A58 VanDerWaalsContact C-N 3.35Å; I56-A58 PolarHBondContact O-N 3.4Å; A58-L61 PolarHBondContact O-N 2.89Å; A58-I62 WeakPolarHBondContact O-CG1 3.22Å; A58-I62 PolarHBondContact O-N 3.01Å
59V98.3Very high96.9Very high89 Ų8942.6 Ų42.654%0.53923%0.234SC..Hα-helixtrans-63.7-46174.9172.80000110.8L55 I56 L61 I62 I63L55-V59 WeakPolarHBondContact O-CG2 3.42Å; L55-V59 PolarHBondContact O-N 3.49Å; I56-V59 PolarHBondContact O-N 2.72Å; V59-L61 VanDerWaalsContact C-N 3.3Å; V59-L61 PolarHBondContact O-N 3.31Å; V59-I62 PolarHBondContact O-N 3.25Å; V59-I63 HydrophobicContact CG1-CD1 3.84Å; V59-I63 HydrophobicContact CG1-CG1 4.5Å; V59-I63 WeakPolarHBondContact O-CG1 3.31Å; V59-I63 PolarHBondContact O-N 3.01Å
60G98.2Very high96.8Very high7 Ų742.4 Ų42.47%0.07224%0.242CC..Hα-helixtrans-56.9-43.7175.800000112.3I56 S57 I63 I64I56-G60 PolarHBondContact O-N 2.91Å; S57-G60 PolarHBondContact O-N 3.49Å; G60-I63 PolarHBondContact O-N 2.88Å; G60-I64 WeakPolarHBondContact O-CG1 3.24Å; G60-I64 PolarHBondContact O-N 2.88Å
61L98.5Very high96.7Very high0 Ų037.3 Ų37.30%021%0.214CC..Hα-helixtrans-61.7-47.3176.5-179.8120.1000112.3A34 L35 L38 S57 A58 V59 I63 I64 M65 V112 V115A34-L61 HydrophobicContact CB-CD1 4.35Å; A34-L61 HydrophobicContact CB-CD2 3.85Å; L35-L61 HydrophobicContact CD2-CD2 3.78Å; L35-L61 HydrophobicContact CG-CD2 4.04Å; L38-L61 HydrophobicContact CB-CD1 4.16Å; L38-L61 HydrophobicContact CD2-CB 4.05Å; L38-L61 HydrophobicContact CD2-CD1 4.2Å; S57-L61 VanDerWaalsContact O-CB 3.31Å; S57-L61 WeakPolarHBondContact O-CB 3.37Å; S57-L61 PolarHBondContact O-N 2.89Å; A58-L61 PolarHBondContact O-N 2.89Å; V59-L61 VanDerWaalsContact C-N 3.3Å; V59-L61 PolarHBondContact O-N 3.31Å; L61-I63 VanDerWaalsContact C-N 3.25Å; L61-I63 PolarHBondContact O-N 3.14Å; L61-I64 PolarHBondContact O-N 2.96Å; L61-M65 HydrophobicContact CD2-SD 3.93Å; L61-M65 HydrophobicContact CG-SD 4.06Å; L61-M65 WeakPolarHBondContact O-CB 3.47Å; L61-M65 WeakPolarHBondContact O-CG 3.28Å; L61-M65 PolarHBondContact O-N 2.63Å; L61-V112 HydrophobicContact CB-CG2 4.43Å; L61-V115 HydrophobicContact CD1-CB 3.87Å; L61-V115 HydrophobicContact CD1-CG1 3.73Å
62I98.3Very high96.7Very high67 Ų6741.1 Ų41.134%0.34424%0.238SC..Hα-helixtrans-60-38.4176.9-66-59.4000111.3N31 L35 A58 V59 M65 L66N31-I62 HydrophobicContact CB-CD1 4.35Å; N31-I62 VanDerWaalsContact OD1-CD1 3.22Å; N31-I62 WeakPolarHBondContact OD1-CD1 3.4Å; L35-I62 HydrophobicContact CD1-CD1 4.17Å; L35-I62 HydrophobicContact CD2-CD1 4.31Å; L35-I62 HydrophobicContact CD2-CG1 4.48Å; L35-I62 HydrophobicContact CG-CD1 4.3Å; A58-I62 WeakPolarHBondContact O-CG1 3.22Å; A58-I62 PolarHBondContact O-N 3.01Å; V59-I62 PolarHBondContact O-N 3.25Å; I62-M65 PolarHBondContact O-N 3.47Å; I62-L66 PolarHBondContact O-N 2.75Å
63I97.9Very high96.7Very high40 Ų4043.7 Ų43.721%0.20524%0.24CC..Hα-helixtrans-69.2-42.6177.3-63.7166.9000111.3V59 G60 L61 M65 L66 I77 Q78 S81V59-I63 HydrophobicContact CG1-CD1 3.84Å; V59-I63 HydrophobicContact CG1-CG1 4.5Å; V59-I63 WeakPolarHBondContact O-CG1 3.31Å; V59-I63 PolarHBondContact O-N 3.01Å; G60-I63 PolarHBondContact O-N 2.88Å; L61-I63 VanDerWaalsContact C-N 3.25Å; L61-I63 PolarHBondContact O-N 3.14Å; I63-M65 PolarHBondContact O-N 2.63Å; I63-L66 HydrophobicContact CG2-CD1 4.14Å; I63-L66 WeakPolarHBondContact O-CB 3.36Å; I63-L66 VanDerWaalsContact O-CG 3.28Å; I63-L66 WeakPolarHBondContact O-CG 3.36Å; I63-L66 PolarHBondContact O-N 3.06Å; I63-I77 HydrophobicContact CG2-CG2 3.61Å; I63-Q78 WeakPolarHBondContact O-CG 3.39Å; I63-S81 WeakPolarHBondContact CG2-OG 3.35Å
64I97.5Very high96.7Very high18 Ų1843.5 Ų43.59%0.09224%0.238CC..Hα-helixtrans-61.7-32.6174.8-70.5-63.1000111.3G60 L61 L66 Q78 V112 I117G60-I64 WeakPolarHBondContact O-CG1 3.24Å; G60-I64 PolarHBondContact O-N 2.88Å; L61-I64 PolarHBondContact O-N 2.96Å; I64-L66 VanDerWaalsContact C-N 3.28Å; I64-L66 PolarHBondContact O-N 3.27Å; I64-Q78 HydrophobicContact CD1-CB 4.22Å; I64-Q78 HydrophobicContact CD1-CG 4.46Å; I64-Q78 PolarHBondContact O-NE2 2.84Å; I64-V112 HydrophobicContact CG1-CG1 3.85Å; I64-I117 HydrophobicContact CG2-CG1 4.3Å
65M97.7Very high96.6Very high3 Ų349.4 Ų49.42%0.01527%0.266CS..THydrogen-bonded Turntrans-87.816.2179.3-67.4-175.465.800114.6A30 N31 A34 L61 I62 I63 G116 F119 M120 Y123A30-M65 HydrophobicContact CB-CE 4.24Å; N31-M65 HydrophobicContact CB-CE 4.4Å; A34-M65 HydrophobicContact CB-CE 3.81Å; A34-M65 HydrophobicContact CB-SD 3.26Å; A34-M65 WeakPolarHBondContact CB-SD 3.33Å; L61-M65 HydrophobicContact CD2-SD 3.93Å; L61-M65 HydrophobicContact CG-SD 4.06Å; L61-M65 WeakPolarHBondContact O-CB 3.47Å; L61-M65 WeakPolarHBondContact O-CG 3.28Å; L61-M65 PolarHBondContact O-N 2.63Å; I62-M65 PolarHBondContact O-N 3.47Å; I63-M65 PolarHBondContact O-N 2.63Å; M65-G116 WeakPolarHBondContact CG-O 3.49Å; M65-F119 HydrophobicContact CE-CB 3.53Å; M65-F119 HydrophobicContact SD-CB 4.05Å; M65-M120 HydrophobicContact CG-CB 4.39Å; M65-Y123 HydrophobicContact CE-CE1 4.45Å; M65-Y123 PolarHBondContact O-OH 3.42Å; M65-Y123 VanDerWaalsContact O-OH 3.06Å
66L97.3Very high96.5Very high45 Ų4548.3 Ų48.324%0.23626%0.263CS..SBendtrans-65.6138.3173.1-74.3173.5000111.1I62 I63 I64 Q68 W73 V74 I77 Y123I62-L66 PolarHBondContact O-N 2.75Å; I63-L66 HydrophobicContact CG2-CD1 4.14Å; I63-L66 WeakPolarHBondContact O-CB 3.36Å; I63-L66 VanDerWaalsContact O-CG 3.28Å; I63-L66 WeakPolarHBondContact O-CG 3.36Å; I63-L66 PolarHBondContact O-N 3.06Å; I64-L66 VanDerWaalsContact C-N 3.28Å; I64-L66 PolarHBondContact O-N 3.27Å; L66-Q68 PolarHBondContact O-N 3.05Å; L66-Q68 PolarHBondContact O-NE2 2.91Å; L66-Q68 VanDerWaalsContact O-NE2 3.16Å; L66-W73 HydrophobicContact CD1-CZ3 4.43Å; L66-V74 HydrophobicContact CB-CG1 3.7Å; L66-I77 HydrophobicContact CD1-CG2 4.22Å; L66-Y123 PolarHBondContact O-OH 3.47Å
67P95.5Very high96.5Very high20 Ų2050.1 Ų50.113%0.1327%0.272CS..  trans-63.5125.4-177.323-32000112.6M27 H69 A70 V74 Y123 E124M27-P67 HydrophobicContact SD-CB 3.98Å; M27-P67 HydrophobicContact SD-CG 3.88Å; P67-H69 VanDerWaalsContact C-N 3.28Å; P67-H69 WeakPolarHBondContact CB-CE1 3.24Å; P67-H69 PolarHBondContact O-N 3.13Å; P67-A70 HydrophobicContact CG-CB 4.03Å; P67-A70 WeakPolarHBondContact O-CB 3.32Å; P67-A70 PolarHBondContact O-N 3.21Å; P67-V74 WeakPolarHBondContact O-CG2 3.48Å; P67-Y123 VanDerWaalsContact CA-OH 3.28Å; P67-Y123 WeakPolarHBondContact CA-OH 3.29Å; P67-Y123 HydrophobicContact CB-CE2 4.24Å; P67-E124 VanDerWaalsContact CA-OE1 3.28Å; P67-E124 WeakPolarHBondContact CA-OE1 3.47Å
68Q93.5Very high96.4Very high51 Ų5151.2 Ų51.224%0.23828%0.277CS..G310 helixtrans-63.6-34.7-175.1-64.1-55.7-64.500112.5L66 A70 G71 M120 E124L66-Q68 PolarHBondContact O-N 3.05Å; L66-Q68 PolarHBondContact O-NE2 2.91Å; L66-Q68 VanDerWaalsContact O-NE2 3.16Å; Q68-A70 PolarHBondContact O-N 3.21Å; Q68-G71 PolarHBondContact O-N 2.93Å; Q68-M120 HydrophobicContact CG-SD 4.31Å; Q68-E124 HydrophobicContact CG-CG 4.41Å; Q68-E124 PolarHBondContact N-OE1 3.4Å
69H91Very high96.4Very high133 Ų13355.9 Ų55.962%0.61630%0.3SS*.G310 helixtrans-70.8-7.4177.456.3-88.7000114P67 G71 E124P67-H69 VanDerWaalsContact C-N 3.28Å; P67-H69 WeakPolarHBondContact CB-CE1 3.24Å; P67-H69 PolarHBondContact O-N 3.13Å; H69-G71 PolarHBondContact O-N 2.84Å; H69-E124 IonicContact ND1-OE2 3.47Å; H69-E124 PolarHBondContact ND1-OE2 3.42Å
70A93.6Very high96.3Very high45 Ų4558.1 Ų58.137%0.37230%0.302SS..G310 helixtrans-72.6-15.7176.300000113.3P67 Q68 W73 V74P67-A70 HydrophobicContact CG-CB 4.03Å; P67-A70 WeakPolarHBondContact O-CB 3.32Å; P67-A70 PolarHBondContact O-N 3.21Å; Q68-A70 PolarHBondContact O-N 3.21Å; A70-W73 HydrophobicContact CB-CH2 4.28Å; A70-W73 HydrophobicContact CB-CZ2 3.71Å; A70-W73 PolarHBondContact O-NE1 3.22Å; A70-V74 HydrophobicContact CB-CG2 3.93Å
71G94.7Very high96.2Very high18 Ų1858.9 Ų58.919%0.18631%0.306CS..  trans136170.5166.300000114Q68 H69 W73 V74Q68-G71 PolarHBondContact O-N 2.93Å; H69-G71 PolarHBondContact O-N 2.84Å; G71-W73 PolarHBondContact O-N 3.01Å; G71-V74 WeakPolarHBondContact O-CB 3.18Å; G71-V74 WeakPolarHBondContact O-CG2 3.48Å; G71-V74 PolarHBondContact O-N 3.4Å
72P94.6Very high96.1Very high111 Ų11161.8 Ų61.872%0.72132%0.322SS*.THydrogen-bonded Turntrans-59.8-21.9-174.3-24.734.2000114.5V74 Q75P72-V74 PolarHBondContact O-N 3.36Å; P72-Q75 PolarHBondContact O-N 3.43Å
73W96.6Very high96Very high130 Ų13062.4 Ų62.449%0.49233%0.325SS..Hα-helixtrans-63-24.7175.759.4-92.8000112.6L66 A70 G71 V76 I77L66-W73 HydrophobicContact CD1-CZ3 4.43Å; A70-W73 HydrophobicContact CB-CH2 4.28Å; A70-W73 HydrophobicContact CB-CZ2 3.71Å; A70-W73 PolarHBondContact O-NE1 3.22Å; G71-W73 PolarHBondContact O-N 3.01Å; W73-V76 PolarHBondContact O-N 3.24Å; W73-I77 HydrophobicContact CE3-CD1 3.55Å; W73-I77 HydrophobicContact CE3-CG1 4.34Å; W73-I77 HydrophobicContact CZ3-CD1 3.89Å; W73-I77 WeakPolarHBondContact O-CB 3.44Å; W73-I77 WeakPolarHBondContact O-CG1 3.5Å; W73-I77 PolarHBondContact O-N 2.91Å
74V97.1Very high96Very high0 Ų062.6 Ų62.60%033%0.332CS..Hα-helixtrans-61.7-51.6179.1174.20000110.6L66 P67 A70 G71 P72 V76 I77 Q78L66-V74 HydrophobicContact CB-CG1 3.7Å; P67-V74 WeakPolarHBondContact O-CG2 3.48Å; A70-V74 HydrophobicContact CB-CG2 3.93Å; G71-V74 WeakPolarHBondContact O-CB 3.18Å; G71-V74 WeakPolarHBondContact O-CG2 3.48Å; G71-V74 PolarHBondContact O-N 3.4Å; P72-V74 PolarHBondContact O-N 3.36Å; V74-V76 VanDerWaalsContact C-N 3.27Å; V74-V76 PolarHBondContact O-N 2.96Å; V74-I77 PolarHBondContact O-N 2.84Å; V74-I77 VanDerWaalsContact O-N 3.11Å; V74-Q78 HydrophobicContact CG1-CG 4.28Å; V74-Q78 WeakPolarHBondContact O-CB 3.36Å; V74-Q78 VanDerWaalsContact O-CG 3.3Å; V74-Q78 WeakPolarHBondContact O-CG 3.42Å; V74-Q78 PolarHBondContact O-N 3.11Å
75Q94.9Very high96Very high124 Ų12462.2 Ų62.258%0.57933%0.33SS*.Hα-helixtrans-60.4-38.7178.4-65.6179-1.300111.8P72 Q78 L79P72-Q75 PolarHBondContact O-N 3.43Å; Q75-Q78 PolarHBondContact O-N 3.21Å; Q75-L79 WeakPolarHBondContact O-CB 3.36Å; Q75-L79 PolarHBondContact O-N 3.36Å
76V97.2Very high96Very high68 Ų6863.3 Ų63.341%0.41234%0.339SS..Hα-helixtrans-64.4-43.8175.9177.70000111.2W73 V74 K80W73-V76 PolarHBondContact O-N 3.24Å; V74-V76 VanDerWaalsContact C-N 3.27Å; V74-V76 PolarHBondContact O-N 2.96Å; V76-K80 HydrophobicContact CG1-CD 3.8Å; V76-K80 HydrophobicContact CG1-CG 4.4Å; V76-K80 VanDerWaalsContact O-CB 3.3Å; V76-K80 WeakPolarHBondContact O-CB 3.29Å; V76-K80 VanDerWaalsContact O-CG 3.27Å; V76-K80 WeakPolarHBondContact O-CG 3.23Å; V76-K80 PolarHBondContact O-N 3.37Å
77I97.7Very high96Very high71 Ų7167.7 Ų67.736%0.36436%0.356SS..Hα-helixtrans-67.6-42.6177.2-71.2-175.5000110.7I63 L66 W73 V74 L79 K80 S81I63-I77 HydrophobicContact CG2-CG2 3.61Å; L66-I77 HydrophobicContact CD1-CG2 4.22Å; W73-I77 HydrophobicContact CE3-CD1 3.55Å; W73-I77 HydrophobicContact CE3-CG1 4.34Å; W73-I77 HydrophobicContact CZ3-CD1 3.89Å; W73-I77 WeakPolarHBondContact O-CB 3.44Å; W73-I77 WeakPolarHBondContact O-CG1 3.5Å; W73-I77 PolarHBondContact O-N 2.91Å; V74-I77 PolarHBondContact O-N 2.84Å; V74-I77 VanDerWaalsContact O-N 3.11Å; I77-L79 PolarHBondContact O-N 2.74Å; I77-K80 PolarHBondContact O-N 3.39Å; I77-S81 WeakPolarHBondContact O-CB 3.45Å; I77-S81 PolarHBondContact O-N 3.41Å; I77-S81 PolarHBondContact O-OG 3.01Å
78Q96.8Very high96.1Very high24 Ų2471.1 Ų71.111%0.11237%0.372CS..Hα-helixtrans-57.6-49.8176.5-73.7172.9-36.600111.2I63 I64 V74 Q75 S81 L82I63-Q78 WeakPolarHBondContact O-CG 3.39Å; I64-Q78 HydrophobicContact CD1-CB 4.22Å; I64-Q78 HydrophobicContact CD1-CG 4.46Å; I64-Q78 PolarHBondContact O-NE2 2.84Å; V74-Q78 HydrophobicContact CG1-CG 4.28Å; V74-Q78 WeakPolarHBondContact O-CB 3.36Å; V74-Q78 VanDerWaalsContact O-CG 3.3Å; V74-Q78 WeakPolarHBondContact O-CG 3.42Å; V74-Q78 PolarHBondContact O-N 3.11Å; Q75-Q78 PolarHBondContact O-N 3.21Å; Q78-S81 PolarHBondContact O-OG 3.34Å; Q78-L82 WeakPolarHBondContact O-CB 3.49Å; Q78-L82 PolarHBondContact O-N 3.04Å
79L96.8Very high96.3Very high109 Ų10968.7 Ų68.757%0.57136%0.361SS*.Hα-helixtrans-63.9-51.6178.1178.661.3000112Q75 I77 S81 L82 I83Q75-L79 WeakPolarHBondContact O-CB 3.36Å; Q75-L79 PolarHBondContact O-N 3.36Å; I77-L79 PolarHBondContact O-N 2.74Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 3.35Å; L79-L82 PolarHBondContact O-N 3.19Å; L79-I83 HydrophobicContact CD1-CD1 4.24Å; L79-I83 HydrophobicContact CG-CD1 4.17Å; L79-I83 WeakPolarHBondContact O-CG1 3.13Å; L79-I83 PolarHBondContact O-N 3.42Å; L79-I83 VanDerWaalsContact O-N 3.09Å
80K97.6Very high96.6Very high137 Ų13765.6 Ų65.660%0.59635%0.348SS*.Hα-helixtrans-64.5-37.3-177.4-72.5179.5-179.71760112.2V76 I77 I83 A84V76-K80 HydrophobicContact CG1-CD 3.8Å; V76-K80 HydrophobicContact CG1-CG 4.4Å; V76-K80 VanDerWaalsContact O-CB 3.3Å; V76-K80 WeakPolarHBondContact O-CB 3.29Å; V76-K80 VanDerWaalsContact O-CG 3.27Å; V76-K80 WeakPolarHBondContact O-CG 3.23Å; V76-K80 PolarHBondContact O-N 3.37Å; I77-K80 PolarHBondContact O-N 3.39Å; K80-I83 PolarHBondContact O-N 3.46Å; K80-A84 WeakPolarHBondContact O-CB 3.17Å; K80-A84 PolarHBondContact O-N 2.97Å
81S95.5Very high96.8Very high22 Ų2266.7 Ų66.715%0.15435%0.353CS..Hα-helixtrans-69.7-35.3176.864.70000112.3I63 I77 Q78 L79 A84 M85I63-S81 WeakPolarHBondContact CG2-OG 3.35Å; I77-S81 WeakPolarHBondContact O-CB 3.45Å; I77-S81 PolarHBondContact O-N 3.41Å; I77-S81 PolarHBondContact O-OG 3.01Å; Q78-S81 PolarHBondContact O-OG 3.34Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 3.35Å; S81-A84 PolarHBondContact O-N 3.3Å; S81-M85 WeakPolarHBondContact O-CB 3.21Å; S81-M85 PolarHBondContact O-N 3.16Å
82L95.8Very high96.9Very high61 Ų6168.9 Ų68.932%0.31936%0.356SS..Hα-helixtrans-65.2-40.6173.7-172.667.5000111.5Q78 L79 S86 L109Q78-L82 WeakPolarHBondContact O-CB 3.49Å; Q78-L82 PolarHBondContact O-N 3.04Å; L79-L82 PolarHBondContact O-N 3.19Å; L82-S86 WeakPolarHBondContact O-CB 3.38Å; L82-S86 PolarHBondContact O-N 2.89Å; L82-S86 PolarHBondContact O-OG 3.05Å; L82-L109 HydrophobicContact CD1-CD2 3.82Å
83I97.5Very high96.9Very high80 Ų8064.4 Ų64.441%0.4133%0.327SS..Hα-helixtrans-62.1-49.7173.2-64.8166.6000110.1L79 K80 M85 S86 F87L79-I83 HydrophobicContact CD1-CD1 4.24Å; L79-I83 HydrophobicContact CG-CD1 4.17Å; L79-I83 WeakPolarHBondContact O-CG1 3.13Å; L79-I83 PolarHBondContact O-N 3.42Å; L79-I83 VanDerWaalsContact O-N 3.09Å; K80-I83 PolarHBondContact O-N 3.46Å; I83-M85 PolarHBondContact O-N 2.91Å; I83-S86 WeakPolarHBondContact O-CB 3.27Å; I83-S86 PolarHBondContact O-N 3.1Å; I83-F87 HydrophobicContact CG2-CD2 4.24Å; I83-F87 HydrophobicContact CG2-CE2 3.74Å; I83-F87 HydrophobicContact CG2-CZ 3.98Å; I83-F87 PolarHBondContact O-N 3.32Å
84A97.8Very high96.9Very high44 Ų4463.3 Ų63.336%0.36434%0.335SS..Hα-helixtrans-60.9-45.8178.400000111.9K80 S81 S86 F87 I88K80-A84 WeakPolarHBondContact O-CB 3.17Å; K80-A84 PolarHBondContact O-N 2.97Å; S81-A84 PolarHBondContact O-N 3.3Å; A84-S86 VanDerWaalsContact C-N 3.3Å; A84-S86 PolarHBondContact O-N 3.41Å; A84-F87 PolarHBondContact O-N 3.22Å; A84-I88 WeakPolarHBondContact O-CG1 3.37Å; A84-I88 PolarHBondContact O-N 3.44Å
85M97.4Very high96.9Very high10 Ų1069.9 Ų69.95%0.04937%0.369CS..Hα-helixtrans-55.9-47.2175.1178.1177.1172.300110.4I56 S81 I83 F87 I88 V89 C108 L109 V112I56-M85 HydrophobicContact CG2-CE 4.27Å; I56-M85 HydrophobicContact CG2-CG 3.76Å; I56-M85 HydrophobicContact CG2-SD 4.43Å; S81-M85 WeakPolarHBondContact O-CB 3.21Å; S81-M85 PolarHBondContact O-N 3.16Å; I83-M85 PolarHBondContact O-N 2.91Å; M85-F87 PolarHBondContact O-N 3.03Å; M85-I88 PolarHBondContact O-N 3.47Å; M85-V89 HydrophobicContact CE-CG1 4.4Å; M85-V89 HydrophobicContact CG-CG1 4.29Å; M85-V89 WeakPolarHBondContact O-CG2 3.08Å; M85-V89 PolarHBondContact O-N 2.85Å; M85-C108 HydrophobicContact CE-CB 4.21Å; M85-L109 HydrophobicContact CB-CD2 4.45Å; M85-L109 HydrophobicContact CE-CD2 4.06Å; M85-L109 HydrophobicContact CG-CD2 3.92Å; M85-L109 HydrophobicContact SD-CD2 3.96Å; M85-V112 HydrophobicContact CE-CB 4.43Å; M85-V112 HydrophobicContact CE-CG2 3.76Å; M85-V112 HydrophobicContact SD-CG1 4.48Å; M85-V112 HydrophobicContact SD-CG2 4.19Å
86S97.2Very high96.8Very high27 Ų2764.2 Ų64.219%0.18934%0.343CS..Hα-helixtrans-56.5-47.9178.1-58.90000111.6L82 I83 A84 I88 V89 L90 L109L82-S86 WeakPolarHBondContact O-CB 3.38Å; L82-S86 PolarHBondContact O-N 2.89Å; L82-S86 PolarHBondContact O-OG 3.05Å; I83-S86 WeakPolarHBondContact O-CB 3.27Å; I83-S86 PolarHBondContact O-N 3.1Å; A84-S86 VanDerWaalsContact C-N 3.3Å; A84-S86 PolarHBondContact O-N 3.41Å; S86-I88 PolarHBondContact O-N 2.83Å; S86-V89 WeakPolarHBondContact O-CG2 3.37Å; S86-L90 VanDerWaalsContact O-CB 3.26Å; S86-L90 WeakPolarHBondContact O-CB 3.37Å; S86-L90 WeakPolarHBondContact O-CG 3.24Å; S86-L90 PolarHBondContact O-N 3.46Å; S86-L109 WeakPolarHBondContact OG-CD1 3.46Å; S86-L109 WeakPolarHBondContact OG-CD2 3.36Å
87F97.9Very high96.7Very high137 Ų13769.7 Ų69.760%0.60136%0.362SS*.Hα-helixtrans-65.3-38.3177-66.4-20.4000113.1I83 A84 M85 S91I83-F87 HydrophobicContact CG2-CD2 4.24Å; I83-F87 HydrophobicContact CG2-CE2 3.74Å; I83-F87 HydrophobicContact CG2-CZ 3.98Å; I83-F87 PolarHBondContact O-N 3.32Å; A84-F87 PolarHBondContact O-N 3.22Å; M85-F87 PolarHBondContact O-N 3.03Å; F87-S91 WeakPolarHBondContact O-CB 3.32Å; F87-S91 PolarHBondContact O-N 3.12Å; F87-S91 PolarHBondContact O-OG 3.28Å
88I97.8Very high96.2Very high91 Ų9172.2 Ų72.247%0.46738%0.376SS..Hα-helixtrans-66.4-50.2177.9-66.1164.5000110.3I56 A84 M85 S86 L90 S91 Y92I56-I88 HydrophobicContact CD1-CG2 3.57Å; I56-I88 HydrophobicContact CG1-CG2 4.3Å; A84-I88 WeakPolarHBondContact O-CG1 3.37Å; A84-I88 PolarHBondContact O-N 3.44Å; M85-I88 PolarHBondContact O-N 3.47Å; S86-I88 PolarHBondContact O-N 2.83Å; I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 PolarHBondContact O-N 3.44Å; I88-S91 PolarHBondContact O-N 2.8Å; I88-Y92 WeakPolarHBondContact O-CB 3.36Å; I88-Y92 PolarHBondContact O-N 3.29Å
89V96.8Very high96Very high0 Ų081.5 Ų81.50%041%0.41CS..Hα-helixtrans-67.6-34.8-178.5-61.50000112I56 M85 S86 Y92 T93 F100 A105 L109I56-V89 HydrophobicContact CG2-CG1 3.83Å; M85-V89 HydrophobicContact CE-CG1 4.4Å; M85-V89 HydrophobicContact CG-CG1 4.29Å; M85-V89 WeakPolarHBondContact O-CG2 3.08Å; M85-V89 PolarHBondContact O-N 2.85Å; S86-V89 WeakPolarHBondContact O-CG2 3.37Å; V89-Y92 WeakPolarHBondContact O-CB 3.43Å; V89-Y92 PolarHBondContact O-N 2.86Å; V89-T93 PolarHBondContact O-N 3.05Å; V89-F100 HydrophobicContact CB-CE1 4.31Å; V89-A105 HydrophobicContact CB-CB 4.18Å; V89-A105 HydrophobicContact CG2-CB 3.9Å; V89-L109 HydrophobicContact CG2-CD1 4.34Å; V89-L109 HydrophobicContact CG2-CG 4.36Å
90L97.1Very high96Very high68 Ų6877 Ų7736%0.35639%0.386SS..Hα-helixtrans-68.2-44.1173.8-72.6173.9000111.6S86 I88 Y92 T93 F102 A105S86-L90 VanDerWaalsContact O-CB 3.26Å; S86-L90 WeakPolarHBondContact O-CB 3.37Å; S86-L90 WeakPolarHBondContact O-CG 3.24Å; S86-L90 PolarHBondContact O-N 3.46Å; I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 PolarHBondContact O-N 3.44Å; L90-Y92 PolarHBondContact O-N 3.42Å; L90-T93 WeakPolarHBondContact O-CB 3.14Å; L90-T93 PolarHBondContact O-N 3.3Å; L90-T93 PolarHBondContact O-OG1 3.18Å; L90-F102 HydrophobicContact CD2-CD2 3.74Å; L90-F102 HydrophobicContact CD2-CE2 3.95Å; L90-A105 HydrophobicContact CD2-CB 4.35Å
91S97.3Very high95.9Very high68 Ų6871.9 Ų71.948%0.47637%0.367SS..Hα-helixtrans-62.5-33.8174.5-61.60000111.4F87 I88 T93 V94 L95F87-S91 WeakPolarHBondContact O-CB 3.32Å; F87-S91 PolarHBondContact O-N 3.12Å; F87-S91 PolarHBondContact O-OG 3.28Å; I88-S91 PolarHBondContact O-N 2.8Å; S91-T93 VanDerWaalsContact C-N 3.26Å; S91-T93 PolarHBondContact O-N 3.1Å; S91-V94 WeakPolarHBondContact O-CB 3.48Å; S91-V94 PolarHBondContact O-N 3.4Å; S91-L95 PolarHBondContact O-N 2.88Å; S91-L95 VanDerWaalsContact O-N 3.08Å
92Y96.8Very high96Very high64 Ų6477.8 Ų77.825%0.25139%0.39SS..Hα-helixtrans-64.6-27.4174.8-170.8-106.5000112.9V52 P53 I88 V89 L90 V94 L95 S96 F100V52-Y92 HydrophobicContact CB-CE2 3.92Å; V52-Y92 HydrophobicContact CG1-CD2 3.94Å; V52-Y92 HydrophobicContact CG1-CE2 3.7Å; V52-Y92 HydrophobicContact CG2-CE2 4.37Å; P53-Y92 HydrophobicContact CG-CE1 4.12Å; I88-Y92 WeakPolarHBondContact O-CB 3.36Å; I88-Y92 PolarHBondContact O-N 3.29Å; V89-Y92 WeakPolarHBondContact O-CB 3.43Å; V89-Y92 PolarHBondContact O-N 2.86Å; L90-Y92 PolarHBondContact O-N 3.42Å; Y92-V94 VanDerWaalsContact C-N 3.3Å; Y92-V94 PolarHBondContact O-N 2.56Å; Y92-L95 PolarHBondContact O-N 3.13Å; Y92-S96 WeakPolarHBondContact O-CB 3.32Å; Y92-S96 PolarHBondContact O-N 2.94Å; Y92-S96 PolarHBondContact O-OG 3.39Å; Y92-S96 VanDerWaalsContact O-OG 3.11Å; Y92-F100 HydrophobicContact CD1-CB 3.86Å; Y92-F100 AromaticContact CD1-CD1 3.58Å; Y92-F100 HydrophobicContact CD1-CD1 3.58Å; Y92-F100 HydrophobicContact CD1-CD2 4.39Å; Y92-F100 HydrophobicContact CD1-CE1 4.16Å; Y92-F100 AromaticContact CD1-CG 3.7Å; Y92-F100 HydrophobicContact CD1-CG 3.7Å; Y92-F100 HydrophobicContact CE1-CB 3.78Å; Y92-F100 HydrophobicContact CE1-CD1 4.26Å; Y92-F100 HydrophobicContact CE1-CD2 4.32Å; Y92-F100 AromaticContact CE1-CG 3.89Å; Y92-F100 HydrophobicContact CE1-CG 3.89Å
93T96.1Very high96Very high17 Ų1781.8 Ų81.810%0.10441%0.409CS..Hα-helixtrans-58.6-44.3172.470.10000111.1V89 L90 S91 S96 K97 N98 F100 A105V89-T93 PolarHBondContact O-N 3.05Å; L90-T93 WeakPolarHBondContact O-CB 3.14Å; L90-T93 PolarHBondContact O-N 3.3Å; L90-T93 PolarHBondContact O-OG1 3.18Å; S91-T93 VanDerWaalsContact C-N 3.26Å; S91-T93 PolarHBondContact O-N 3.1Å; T93-S96 PolarHBondContact O-OG 3.36Å; T93-K97 PolarHBondContact O-N 3.02Å; T93-N98 PolarHBondContact O-N 3.02Å; T93-F100 VanDerWaalsContact CA-O 3.31Å; T93-F100 WeakPolarHBondContact CA-O 3.49Å; T93-F100 WeakPolarHBondContact CB-O 3.36Å; T93-F100 HydrophobicContact CG2-CD1 3.93Å; T93-F100 HydrophobicContact CG2-CE1 4.39Å; T93-A105 HydrophobicContact CG2-CB 4.24Å
94V96.6Very high96Very high108 Ų10879.3 Ų79.366%0.65540%0.396SS*.Hα-helixtrans-67.2-49.1176.8-179.90000111S91 Y92 S96 K97S91-V94 WeakPolarHBondContact O-CB 3.48Å; S91-V94 PolarHBondContact O-N 3.4Å; Y92-V94 VanDerWaalsContact C-N 3.3Å; Y92-V94 PolarHBondContact O-N 2.56Å; V94-S96 VanDerWaalsContact C-N 3.26Å; V94-S96 PolarHBondContact O-N 3.2Å; V94-K97 PolarHBondContact O-N 3.29Å
95L95.9Very high96Very high137 Ų13777.2 Ų77.272%0.71738%0.38SS*.Hα-helixtrans-63-32.9-179.8-65.4175.4000112.7S91 Y92 K97S91-L95 PolarHBondContact O-N 2.88Å; S91-L95 VanDerWaalsContact O-N 3.08Å; Y92-L95 PolarHBondContact O-N 3.13Å; L95-K97 PolarHBondContact O-N 3.36Å
96S94.2Very high96Very high6 Ų678.8 Ų78.84%0.04239%0.394CS..THydrogen-bonded Turntrans-77.1-3.7176.878.50000113.5Y92 T93 V94 R99 F100Y92-S96 WeakPolarHBondContact O-CB 3.32Å; Y92-S96 PolarHBondContact O-N 2.94Å; Y92-S96 PolarHBondContact O-OG 3.39Å; Y92-S96 VanDerWaalsContact O-OG 3.11Å; T93-S96 PolarHBondContact O-OG 3.36Å; V94-S96 VanDerWaalsContact C-N 3.26Å; V94-S96 PolarHBondContact O-N 3.2Å; S96-R99 WeakPolarHBondContact O-CB 3.43Å; S96-R99 WeakPolarHBondContact O-CG 3.25Å; S96-R99 PolarHBondContact O-N 2.78Å; S96-R99 PolarHBondContact O-NE 2.76Å; S96-R99 PolarHBondContact OG-N 3.14Å; S96-F100 WeakPolarHBondContact OG-CB 3.34Å; S96-F100 PolarHBondContact OG-N 3.44Å; S96-F100 PolarHBondContact OG-O 2.97Å
97K93.9Very high96Very high183 Ų18379.1 Ų79.180%0.79639%0.392SS*.THydrogen-bonded Turntrans55.347.5-171.4-55.3-178.1-179.2-177.70111.8T93 V94 L95 R99T93-K97 PolarHBondContact O-N 3.02Å; V94-K97 PolarHBondContact O-N 3.29Å; L95-K97 PolarHBondContact O-N 3.36Å; K97-R99 PolarHBondContact O-N 3.15Å; K97-R99 VanDerWaalsContact O-N 3.13Å
98N88.6Confident96Very high124 Ų12472.6 Ų72.666%0.66336%0.363SS*.THydrogen-bonded Turntrans61.211.5-177.8-63.9-33.8000116T93T93-N98 PolarHBondContact O-N 3.02Å
99R92.4Very high96Very high218 Ų21870 Ų7082%0.82335%0.35SS*.SBendtrans-67.8-29.9168.7-66.9-171.4-64172.51.1112.1S96 K97S96-R99 WeakPolarHBondContact O-CB 3.43Å; S96-R99 WeakPolarHBondContact O-CG 3.25Å; S96-R99 PolarHBondContact O-N 2.78Å; S96-R99 PolarHBondContact O-NE 2.76Å; S96-R99 PolarHBondContact OG-N 3.14Å; K97-R99 PolarHBondContact O-N 3.15Å; K97-R99 VanDerWaalsContact O-N 3.13Å
100F95.2Very high96Very high15 Ų1576 Ų767%0.06638%0.38CS..SBendtrans-102.2112.7163.8-176.1-99.1000107I47 P53 V89 Y92 T93 S96 D104 A105I47-F100 HydrophobicContact CD1-CE2 4.1Å; P53-F100 HydrophobicContact CB-CD2 4.1Å; P53-F100 HydrophobicContact CB-CE2 3.41Å; P53-F100 VanDerWaalsContact CB-CE2 3.41Å; P53-F100 HydrophobicContact CB-CZ 3.66Å; P53-F100 HydrophobicContact CG-CD2 3.93Å; P53-F100 HydrophobicContact CG-CE2 3.7Å; P53-F100 HydrophobicContact CG-CZ 4.4Å; V89-F100 HydrophobicContact CB-CE1 4.31Å; Y92-F100 HydrophobicContact CD1-CB 3.86Å; Y92-F100 AromaticContact CD1-CD1 3.58Å; Y92-F100 HydrophobicContact CD1-CD1 3.58Å; Y92-F100 HydrophobicContact CD1-CD2 4.39Å; Y92-F100 HydrophobicContact CD1-CE1 4.16Å; Y92-F100 AromaticContact CD1-CG 3.7Å; Y92-F100 HydrophobicContact CD1-CG 3.7Å; Y92-F100 HydrophobicContact CE1-CB 3.78Å; Y92-F100 HydrophobicContact CE1-CD1 4.26Å; Y92-F100 HydrophobicContact CE1-CD2 4.32Å; Y92-F100 AromaticContact CE1-CG 3.89Å; Y92-F100 HydrophobicContact CE1-CG 3.89Å; T93-F100 VanDerWaalsContact CA-O 3.31Å; T93-F100 WeakPolarHBondContact CA-O 3.49Å; T93-F100 WeakPolarHBondContact CB-O 3.36Å; T93-F100 HydrophobicContact CG2-CD1 3.93Å; T93-F100 HydrophobicContact CG2-CE1 4.39Å; S96-F100 WeakPolarHBondContact OG-CB 3.34Å; S96-F100 PolarHBondContact OG-N 3.44Å; S96-F100 PolarHBondContact OG-O 2.97Å; F100-D104 HydrophobicContact CD1-CB 4.41Å; F100-D104 HydrophobicContact CD2-CB 3.54Å; F100-D104 HydrophobicContact CE1-CB 4.27Å; F100-D104 HydrophobicContact CE2-CB 3.35Å; F100-D104 HydrophobicContact CG-CB 4.09Å; F100-D104 VanDerWaalsContact CZ-C 3.47Å; F100-D104 HydrophobicContact CZ-CB 3.75Å; F100-A105 HydrophobicContact CE1-CB 3.67Å; F100-A105 HydrophobicContact CZ-CB 4.24Å
101S96.3Very high96.1Very high30 Ų3072.9 Ų72.921%0.2136%0.363CS..  trans-85.7169.8-171.971.90000112.3M103 D104 A105S101-M103 PolarHBondContact O-N 3.02Å; S101-M103 PolarHBondContact OG-N 2.92Å; S101-D104 WeakPolarHBondContact CB-OD2 3.05Å; S101-D104 PolarHBondContact N-OD2 3.46Å; S101-D104 PolarHBondContact O-N 2.96Å; S101-D104 VanDerWaalsContact OG-CG 3.22Å; S101-D104 PolarHBondContact OG-N 3.32Å; S101-D104 PolarHBondContact OG-OD2 3.05Å; S101-A105 PolarHBondContact O-N 3.17Å; S101-A105 VanDerWaalsContact O-N 3.07Å
102F96.6Very high96.1Very high146 Ų14669.7 Ų69.764%0.6434%0.341SS*.Hα-helixtrans-57-37.2168.6176.4-95.1000112.2L90 D104 A105 A106L90-F102 HydrophobicContact CD2-CD2 3.74Å; L90-F102 HydrophobicContact CD2-CE2 3.95Å; F102-D104 VanDerWaalsContact C-N 3.34Å; F102-D104 PolarHBondContact O-N 3.21Å; F102-A105 WeakPolarHBondContact O-CB 3.42Å; F102-A105 PolarHBondContact O-N 2.91Å; F102-A106 WeakPolarHBondContact O-CB 3.46Å; F102-A106 PolarHBondContact O-N 3.43Å
103M96.7Very high96.1Very high144 Ų14468.1 Ų68.171%0.70934%0.341SS*.Hα-helixtrans-65.8-37.7177.5-67.2-176.3-70.200111.5S101 A106 F107S101-M103 PolarHBondContact O-N 3.02Å; S101-M103 PolarHBondContact OG-N 2.92Å; M103-A106 PolarHBondContact O-N 3.13Å; M103-F107 VanDerWaalsContact O-CB 3.29Å; M103-F107 WeakPolarHBondContact O-CB 3.45Å; M103-F107 PolarHBondContact O-N 2.57Å
104D97.3Very high96.2Very high28 Ų2868.6 Ų68.615%0.1534%0.342CS..Hα-helixtrans-67.6-39176.1-57.2-51.3000111.7N45 I47 F100 S101 F102 F107 C108N45-D104 PolarHBondContact ND2-OD1 2.85Å; I47-D104 HydrophobicContact CD1-CB 4.17Å; F100-D104 HydrophobicContact CD1-CB 4.41Å; F100-D104 HydrophobicContact CD2-CB 3.54Å; F100-D104 HydrophobicContact CE1-CB 4.27Å; F100-D104 HydrophobicContact CE2-CB 3.35Å; F100-D104 HydrophobicContact CG-CB 4.09Å; F100-D104 VanDerWaalsContact CZ-C 3.47Å; F100-D104 HydrophobicContact CZ-CB 3.75Å; S101-D104 WeakPolarHBondContact CB-OD2 3.05Å; S101-D104 PolarHBondContact N-OD2 3.46Å; S101-D104 PolarHBondContact O-N 2.96Å; S101-D104 VanDerWaalsContact OG-CG 3.22Å; S101-D104 PolarHBondContact OG-N 3.32Å; S101-D104 PolarHBondContact OG-OD2 3.05Å; F102-D104 VanDerWaalsContact C-N 3.34Å; F102-D104 PolarHBondContact O-N 3.21Å; D104-F107 PolarHBondContact O-N 2.8Å; D104-C108 PolarHBondContact O-N 3.13Å
105A97.6Very high96.3Very high1 Ų163.5 Ų63.51%0.00831%0.31CS..Hα-helixtrans-61.2-48.2173.900000111.5V89 L90 T93 F100 S101 F102 F107 C108 L109V89-A105 HydrophobicContact CB-CB 4.18Å; V89-A105 HydrophobicContact CG2-CB 3.9Å; L90-A105 HydrophobicContact CD2-CB 4.35Å; T93-A105 HydrophobicContact CG2-CB 4.24Å; F100-A105 HydrophobicContact CE1-CB 3.67Å; F100-A105 HydrophobicContact CZ-CB 4.24Å; S101-A105 PolarHBondContact O-N 3.17Å; S101-A105 VanDerWaalsContact O-N 3.07Å; F102-A105 WeakPolarHBondContact O-CB 3.42Å; F102-A105 PolarHBondContact O-N 2.91Å; A105-F107 VanDerWaalsContact C-N 3.32Å; A105-F107 PolarHBondContact O-N 2.75Å; A105-C108 PolarHBondContact O-N 3.24Å; A105-L109 PolarHBondContact O-N 3.34Å; A105-L109 VanDerWaalsContact O-N 3.11Å
106A97.6Very high96.3Very high42 Ų4257 Ų5735%0.34728%0.276SS..Hα-helixtrans-62.1-40175.900000111.7F102 M103 L109 M110F102-A106 WeakPolarHBondContact O-CB 3.46Å; F102-A106 PolarHBondContact O-N 3.43Å; M103-A106 PolarHBondContact O-N 3.13Å; A106-L109 PolarHBondContact O-N 3.41Å; A106-M110 WeakPolarHBondContact O-CB 3.2Å; A106-M110 PolarHBondContact O-N 2.94Å
107F97.6Very high96.4Very high34 Ų3460 Ų6015%0.14929%0.291CS..Hα-helixtrans-62.3-43.4176.5-173.9-95.5000112L41 L42 N45 I47 M103 D104 A105 M110 S111 F224L41-F107 HydrophobicContact CD1-CZ 3.94Å; L41-F107 HydrophobicContact CG-CE1 4.29Å; L41-F107 HydrophobicContact CG-CZ 3.77Å; L41-F107 WeakPolarHBondContact O-CE1 3.15Å; L41-F107 VanDerWaalsContact O-CZ 3.3Å; L41-F107 WeakPolarHBondContact O-CZ 3.34Å; L42-F107 HydrophobicContact CD2-CD1 4.39Å; L42-F107 HydrophobicContact CD2-CE1 4.34Å; N45-F107 HydrophobicContact CB-CD1 3.69Å; N45-F107 HydrophobicContact CB-CD2 4.39Å; N45-F107 HydrophobicContact CB-CE1 3.51Å; N45-F107 HydrophobicContact CB-CE2 4.26Å; N45-F107 HydrophobicContact CB-CG 4.12Å; N45-F107 HydrophobicContact CB-CZ 3.81Å; I47-F107 HydrophobicContact CD1-CD1 4.18Å; M103-F107 VanDerWaalsContact O-CB 3.29Å; M103-F107 WeakPolarHBondContact O-CB 3.45Å; M103-F107 PolarHBondContact O-N 2.57Å; D104-F107 PolarHBondContact O-N 2.8Å; A105-F107 VanDerWaalsContact C-N 3.32Å; A105-F107 PolarHBondContact O-N 2.75Å; F107-M110 PolarHBondContact O-N 3.35Å; F107-S111 WeakPolarHBondContact CE1-OG 3.34Å; F107-S111 VanDerWaalsContact O-CB 3.23Å; F107-S111 WeakPolarHBondContact O-CB 3.38Å; F107-S111 PolarHBondContact O-N 2.86Å; F107-S111 PolarHBondContact O-OG 2.99Å; F107-F224 HydrophobicContact CD2-CZ 4.04Å; F107-F224 AromaticContact CE2-CE2 3.58Å; F107-F224 HydrophobicContact CE2-CE2 3.58Å; F107-F224 AromaticContact CE2-CZ 3.45Å; F107-F224 HydrophobicContact CE2-CZ 3.45Å; F107-F224 VanDerWaalsContact CE2-CZ 3.45Å; F107-F224 AromaticContact CZ-CE2 3.98Å; F107-F224 HydrophobicContact CZ-CE2 3.98Å; F107-F224 AromaticContact CZ-CZ 3.95Å; F107-F224 HydrophobicContact CZ-CZ 3.95Å
108C98.2Very high96.6Very high0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-59.5-47.4174.2-79.70000112.1S57 M85 D104 A105 S111 V112S57-C108 VanDerWaalsContact OG-CB 3.29Å; S57-C108 WeakPolarHBondContact OG-CB 3.47Å; S57-C108 PolarHBondContact OG-SG 3.46Å; S57-C108 VanDerWaalsContact OG-SG 3.34Å; M85-C108 HydrophobicContact CE-CB 4.21Å; D104-C108 PolarHBondContact O-N 3.13Å; A105-C108 PolarHBondContact O-N 3.24Å; C108-S111 PolarHBondContact O-N 3.49Å; C108-V112 WeakPolarHBondContact O-CG2 3.32Å; C108-V112 PolarHBondContact O-N 2.81Å
109L97.7Very high97Very high36 Ų3645.3 Ų45.319%0.18822%0.222CC..Hα-helixtrans-62.8-46.2178.2-73.5170000111.8L82 M85 S86 V89 A105 A106 S111 V112 A113L82-L109 HydrophobicContact CD1-CD2 3.82Å; M85-L109 HydrophobicContact CB-CD2 4.45Å; M85-L109 HydrophobicContact CE-CD2 4.06Å; M85-L109 HydrophobicContact CG-CD2 3.92Å; M85-L109 HydrophobicContact SD-CD2 3.96Å; S86-L109 WeakPolarHBondContact OG-CD1 3.46Å; S86-L109 WeakPolarHBondContact OG-CD2 3.36Å; V89-L109 HydrophobicContact CG2-CD1 4.34Å; V89-L109 HydrophobicContact CG2-CG 4.36Å; A105-L109 PolarHBondContact O-N 3.34Å; A105-L109 VanDerWaalsContact O-N 3.11Å; A106-L109 PolarHBondContact O-N 3.41Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.46Å; L109-V112 PolarHBondContact O-N 3.13Å; L109-A113 PolarHBondContact O-N 2.93Å
110M97.3Very high97.3Very high128 Ų12835.7 Ų35.763%0.63119%0.186SC*.Hα-helixtrans-64.4-38.2178.3-169.664-175.800111.6A106 F107 A113 Y114A106-M110 WeakPolarHBondContact O-CB 3.2Å; A106-M110 PolarHBondContact O-N 2.94Å; F107-M110 PolarHBondContact O-N 3.35Å; M110-A113 PolarHBondContact O-N 3.44Å; M110-Y114 WeakPolarHBondContact O-CB 3.45Å; M110-Y114 PolarHBondContact O-N 3.25Å
111S98Very high97.4Very high1 Ų136.5 Ų36.51%0.00719%0.19CC..Hα-helixtrans-63.6-43.9176.1-62.60000111.8L41 F107 C108 L109 V115L41-S111 WeakPolarHBondContact CD2-OG 3.34Å; F107-S111 WeakPolarHBondContact CE1-OG 3.34Å; F107-S111 VanDerWaalsContact O-CB 3.23Å; F107-S111 WeakPolarHBondContact O-CB 3.38Å; F107-S111 PolarHBondContact O-N 2.86Å; F107-S111 PolarHBondContact O-OG 2.99Å; C108-S111 PolarHBondContact O-N 3.49Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.46Å; S111-V115 WeakPolarHBondContact O-CB 3.44Å; S111-V115 WeakPolarHBondContact O-CG2 3.36Å; S111-V115 PolarHBondContact O-N 2.98Å
112V98.3Very high97.5Very high1 Ų135 Ų351%0.00618%0.18CC..Hα-helixtrans-64.3-45.1176.1166.90000111.1L38 S57 L61 I64 M85 C108 L109 G116L38-V112 HydrophobicContact CD1-CG2 4.46Å; S57-V112 WeakPolarHBondContact O-CG2 3.31Å; L61-V112 HydrophobicContact CB-CG2 4.43Å; I64-V112 HydrophobicContact CG1-CG1 3.85Å; M85-V112 HydrophobicContact CE-CB 4.43Å; M85-V112 HydrophobicContact CE-CG2 3.76Å; M85-V112 HydrophobicContact SD-CG1 4.48Å; M85-V112 HydrophobicContact SD-CG2 4.19Å; C108-V112 WeakPolarHBondContact O-CG2 3.32Å; C108-V112 PolarHBondContact O-N 2.81Å; L109-V112 PolarHBondContact O-N 3.13Å; V112-G116 WeakPolarHBondContact O-CA 3.45Å; V112-G116 PolarHBondContact O-N 3.44Å
113A96.6Very high97.4Very high31 Ų3128.5 Ų28.526%0.25615%0.151SC..Hα-helixtrans-62.7-51.5177.100000111.2L109 M110 I117L109-A113 PolarHBondContact O-N 2.93Å; M110-A113 PolarHBondContact O-N 3.44Å; A113-I117 HydrophobicContact CB-CD1 4.29Å; A113-I117 WeakPolarHBondContact O-CB 3.36Å; A113-I117 WeakPolarHBondContact O-CD1 3.45Å; A113-I117 WeakPolarHBondContact O-CG1 3.27Å; A113-I117 PolarHBondContact O-N 3.02Å
114Y97.5Very high97.4Very high28 Ų2822.2 Ų22.211%0.1112%0.12CC..Hα-helixtrans-61.7-54.9-176.5178.6-120.1000112.5L41 M110 G118 F220 L240 M247 F248L41-Y114 HydrophobicContact CD2-CD1 4.21Å; M110-Y114 WeakPolarHBondContact O-CB 3.45Å; M110-Y114 PolarHBondContact O-N 3.25Å; Y114-G118 PolarHBondContact O-N 3.41Å; Y114-F220 AromaticContact CE1-CE1 3.86Å; Y114-F220 HydrophobicContact CE1-CE1 3.86Å; Y114-F220 HydrophobicContact CE1-CZ 4.29Å; Y114-L240 HydrophobicContact CE1-CD1 3.89Å; Y114-M247 HydrophobicContact CD2-CB 4.25Å; Y114-M247 HydrophobicContact CE1-CG 4.2Å; Y114-M247 HydrophobicContact CE2-CB 3.47Å; Y114-M247 VanDerWaalsContact CE2-CB 3.47Å; Y114-M247 HydrophobicContact CE2-CG 3.86Å; Y114-F248 HydrophobicContact CD2-CE2 4.41Å; Y114-F248 HydrophobicContact CE2-CD2 4.2Å; Y114-F248 AromaticContact CE2-CE2 3.83Å; Y114-F248 HydrophobicContact CE2-CE2 3.83Å
115V98.1Very high97.4Very high0 Ų020.9 Ų20.90%011%0.112CC..Hα-helixtrans-73.5-43.7-177.7-178.30000110.9A34 A37 L41 L61 S111 G118 F119 L240A34-V115 HydrophobicContact CB-CG1 4.06Å; A34-V115 WeakPolarHBondContact O-CG1 3.19Å; A37-V115 HydrophobicContact CB-CG1 3.76Å; A37-V115 HydrophobicContact CB-CG2 4.49Å; L41-V115 HydrophobicContact CD2-CG2 4.06Å; L61-V115 HydrophobicContact CD1-CB 3.87Å; L61-V115 HydrophobicContact CD1-CG1 3.73Å; S111-V115 WeakPolarHBondContact O-CB 3.44Å; S111-V115 WeakPolarHBondContact O-CG2 3.36Å; S111-V115 PolarHBondContact O-N 2.98Å; V115-G118 PolarHBondContact O-N 3Å; V115-F119 HydrophobicContact CG1-CD2 3.69Å; V115-F119 HydrophobicContact CG1-CE2 4.02Å; V115-F119 WeakPolarHBondContact O-CD2 3.47Å; V115-F119 PolarHBondContact O-N 2.94Å; V115-L240 HydrophobicContact CG2-CD1 4.35Å
116G97.8Very high97.3Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-62.6-49.2-177.700000112.1M65 V112 M120M65-G116 WeakPolarHBondContact CG-O 3.49Å; V112-G116 WeakPolarHBondContact O-CA 3.45Å; V112-G116 PolarHBondContact O-N 3.44Å; G116-M120 WeakPolarHBondContact O-CB 3.27Å; G116-M120 PolarHBondContact O-N 3.4Å
117I96.3Very high97.2Very high69 Ų6923.5 Ų23.535%0.35412%0.122SC..Hα-helixtrans-64.6-46179.4-65.2169.7000110.5I64 A113 F119 M120 F121 P251I64-I117 HydrophobicContact CG2-CG1 4.3Å; A113-I117 HydrophobicContact CB-CD1 4.29Å; A113-I117 WeakPolarHBondContact O-CB 3.36Å; A113-I117 WeakPolarHBondContact O-CD1 3.45Å; A113-I117 WeakPolarHBondContact O-CG1 3.27Å; A113-I117 PolarHBondContact O-N 3.02Å; I117-F119 PolarHBondContact O-N 3.21Å; I117-M120 PolarHBondContact O-N 3.04Å; I117-F121 HydrophobicContact CG2-CD2 3.68Å; I117-F121 HydrophobicContact CG2-CE2 3.73Å; I117-F121 WeakPolarHBondContact O-CD2 3.02Å; I117-F121 PolarHBondContact O-N 3.21Å; I117-P251 HydrophobicContact CG2-CB 4.38Å; I117-P251 HydrophobicContact CG2-CG 3.99Å
118G97Very high97.1Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-62-45.1-178.500000113.4Y114 V115 F122Y114-G118 PolarHBondContact O-N 3.41Å; V115-G118 PolarHBondContact O-N 3Å; G118-F122 PolarHBondContact O-N 3.48Å; G118-F122 VanDerWaalsContact O-N 3.13Å
119F98Very high96.9Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-78.5-24177.4-80.5-81.2000114L33 A34 A37 M65 V115 I117 F122 Y123 I239 F243 M247L33-F119 HydrophobicContact CB-CD1 4.14Å; L33-F119 HydrophobicContact CB-CE1 3.52Å; L33-F119 HydrophobicContact CB-CZ 4Å; L33-F119 HydrophobicContact CD1-CE1 4.02Å; L33-F119 HydrophobicContact CG-CE1 4.45Å; A34-F119 HydrophobicContact CB-CB 3.75Å; A34-F119 HydrophobicContact CB-CD1 4.41Å; A34-F119 HydrophobicContact CB-CD2 3.78Å; A34-F119 HydrophobicContact CB-CG 3.72Å; A37-F119 HydrophobicContact CB-CE2 3.87Å; A37-F119 HydrophobicContact CB-CZ 4.46Å; M65-F119 HydrophobicContact CE-CB 3.53Å; M65-F119 HydrophobicContact SD-CB 4.05Å; V115-F119 HydrophobicContact CG1-CD2 3.69Å; V115-F119 HydrophobicContact CG1-CE2 4.02Å; V115-F119 WeakPolarHBondContact O-CD2 3.47Å; V115-F119 PolarHBondContact O-N 2.94Å; I117-F119 PolarHBondContact O-N 3.21Å; F119-F122 HydrophobicContact CD1-CD1 4.36Å; F119-F122 WeakPolarHBondContact O-CB 3.44Å; F119-F122 PolarHBondContact O-N 3.06Å; F119-Y123 WeakPolarHBondContact O-CD1 3.36Å; F119-I239 HydrophobicContact CZ-CG2 3.76Å; F119-F243 AromaticContact CE1-CD1 3.97Å; F119-F243 HydrophobicContact CE1-CD1 3.97Å; F119-F243 HydrophobicContact CE1-CD2 4.25Å; F119-F243 HydrophobicContact CE1-CE1 4.03Å; F119-F243 HydrophobicContact CE1-CE2 4.3Å; F119-F243 HydrophobicContact CE1-CG 4.09Å; F119-F243 HydrophobicContact CE1-CZ 4.2Å; F119-F243 HydrophobicContact CZ-CB 4.09Å; F119-F243 HydrophobicContact CZ-CD1 4.11Å; F119-F243 AromaticContact CZ-CD2 4Å; F119-F243 HydrophobicContact CZ-CD2 4Å; F119-F243 HydrophobicContact CZ-CE2 4.46Å; F119-F243 AromaticContact CZ-CG 3.81Å; F119-F243 HydrophobicContact CZ-CG 3.81Å; F119-M247 HydrophobicContact CD2-CE 3.59Å; F119-M247 HydrophobicContact CD2-SD 4.28Å; F119-M247 HydrophobicContact CE2-CE 3.47Å; F119-M247 VanDerWaalsContact CE2-CE 3.47Å; F119-M247 HydrophobicContact CE2-SD 4.35Å; F119-M247 HydrophobicContact CG-CE 4.23Å; F119-M247 HydrophobicContact CZ-CE 4.02Å
120M97.4Very high96.8Very high15 Ų1527.9 Ų27.97%0.07415%0.146CC..Hα-helixtrans-60.9-55168.6-177.2-168.772.300109.6M65 Q68 G116 I117 F122 Y123 E124M65-M120 HydrophobicContact CG-CB 4.39Å; Q68-M120 HydrophobicContact CG-SD 4.31Å; G116-M120 WeakPolarHBondContact O-CB 3.27Å; G116-M120 PolarHBondContact O-N 3.4Å; I117-M120 PolarHBondContact O-N 3.04Å; M120-F122 PolarHBondContact O-N 3.11Å; M120-F122 VanDerWaalsContact O-N 3.14Å; M120-Y123 HydrophobicContact CB-CE1 4.32Å; M120-Y123 HydrophobicContact CG-CE1 4.17Å; M120-Y123 WeakPolarHBondContact CG-OH 3.44Å; M120-Y123 VanDerWaalsContact O-CD1 3.3Å; M120-Y123 WeakPolarHBondContact O-CD1 3.43Å; M120-Y123 WeakPolarHBondContact O-CE1 3.46Å; M120-Y123 PolarHBondContact O-N 3.46Å; M120-Y123 VanDerWaalsContact O-N 3.17Å; M120-E124 HydrophobicContact CG-CG 4.17Å; M120-E124 WeakPolarHBondContact O-CG 3.5Å; M120-E124 PolarHBondContact O-N 2.9Å
121F97.4Very high96.7Very high32 Ų3224.3 Ų24.314%0.1413%0.128CC..Hα-helixtrans-64.5-20.2177.9-77.7-65.1000113.4I117 E124 T125 L250 P251 N254I117-F121 HydrophobicContact CG2-CD2 3.68Å; I117-F121 HydrophobicContact CG2-CE2 3.73Å; I117-F121 WeakPolarHBondContact O-CD2 3.02Å; I117-F121 PolarHBondContact O-N 3.21Å; F121-E124 HydrophobicContact CD1-CB 4.46Å; F121-T125 WeakPolarHBondContact O-CB 3.36Å; F121-T125 PolarHBondContact O-N 2.74Å; F121-T125 PolarHBondContact O-OG1 2.87Å; F121-L250 HydrophobicContact CB-CB 3.85Å; F121-P251 HydrophobicContact CB-CG 4.46Å; F121-P251 HydrophobicContact CD2-CB 3.62Å; F121-P251 HydrophobicContact CD2-CG 3.68Å; F121-P251 HydrophobicContact CE2-CB 3.8Å; F121-P251 HydrophobicContact CE2-CG 4.3Å; F121-P251 HydrophobicContact CG-CB 4.33Å; F121-P251 HydrophobicContact CG-CG 4.36Å; F121-N254 HydrophobicContact CD1-CB 3.61Å; F121-N254 WeakPolarHBondContact CD1-ND2 3.4Å; F121-N254 HydrophobicContact CE1-CB 3.47Å; F121-N254 VanDerWaalsContact CE1-CB 3.47Å; F121-N254 HydrophobicContact CZ-CB 4.4Å
122F97.8Very high96.7Very high0 Ų025.9 Ų25.90%013%0.134CC..Hα-helixtrans-60.6-46.6172.3175-124.1000112.8F15 L19 L26 A30 G118 F119 M120 I133 F137 F243 L250F15-F122 HydrophobicContact CE2-CE1 4.22Å; F15-F122 HydrophobicContact CE2-CE2 4.29Å; F15-F122 AromaticContact CE2-CZ 3.5Å; F15-F122 HydrophobicContact CE2-CZ 3.5Å; F15-F122 HydrophobicContact CZ-CE2 4.06Å; F15-F122 AromaticContact CZ-CZ 3.66Å; F15-F122 HydrophobicContact CZ-CZ 3.66Å; L19-F122 HydrophobicContact CD1-CE2 4.04Å; L19-F122 HydrophobicContact CD1-CZ 4.04Å; L26-F122 HydrophobicContact CD1-CE1 3.65Å; L26-F122 HydrophobicContact CD1-CZ 3.79Å; L26-F122 HydrophobicContact CG-CE1 4.45Å; A30-F122 HydrophobicContact CB-CD1 3.86Å; A30-F122 HydrophobicContact CB-CE1 4.38Å; G118-F122 PolarHBondContact O-N 3.48Å; G118-F122 VanDerWaalsContact O-N 3.13Å; F119-F122 HydrophobicContact CD1-CD1 4.36Å; F119-F122 WeakPolarHBondContact O-CB 3.44Å; F119-F122 PolarHBondContact O-N 3.06Å; M120-F122 PolarHBondContact O-N 3.11Å; M120-F122 VanDerWaalsContact O-N 3.14Å; F122-I133 HydrophobicContact CD2-CD1 3.8Å; F122-I133 HydrophobicContact CD2-CG1 4.45Å; F122-I133 HydrophobicContact CE2-CD1 4.01Å; F122-I133 HydrophobicContact CE2-CG1 4.18Å; F122-F137 HydrophobicContact CE2-CE1 4.47Å; F122-F137 AromaticContact CE2-CZ 3.76Å; F122-F137 HydrophobicContact CE2-CZ 3.76Å; F122-F243 HydrophobicContact CD2-CE1 4.33Å; F122-F243 HydrophobicContact CE2-CE1 4.46Å; F122-F243 HydrophobicContact CG-CE1 4.4Å; F122-L250 HydrophobicContact CB-CD1 3.75Å; F122-L250 HydrophobicContact CD2-CD1 4.17Å; F122-L250 HydrophobicContact CG-CD1 4.43Å
123Y96.4Very high96.6Very high9 Ų925.8 Ų25.84%0.03513%0.133CC..Hα-helixtrans-84.7-31.5178.376.7-100.8000112.3M27 A30 M65 L66 P67 F119 M120 R126 S127M27-Y123 HydrophobicContact CB-CD2 4.3Å; M27-Y123 HydrophobicContact CB-CG 4.23Å; M27-Y123 HydrophobicContact CG-CD1 4.08Å; M27-Y123 HydrophobicContact CG-CD2 4.06Å; M27-Y123 HydrophobicContact CG-CE1 4.09Å; M27-Y123 HydrophobicContact CG-CE2 4.13Å; M27-Y123 HydrophobicContact CG-CG 4.09Å; M27-Y123 HydrophobicContact SD-CE2 4.19Å; A30-Y123 HydrophobicContact CB-CD1 4.18Å; M65-Y123 HydrophobicContact CE-CE1 4.45Å; M65-Y123 PolarHBondContact O-OH 3.42Å; M65-Y123 VanDerWaalsContact O-OH 3.06Å; L66-Y123 PolarHBondContact O-OH 3.47Å; P67-Y123 VanDerWaalsContact CA-OH 3.28Å; P67-Y123 WeakPolarHBondContact CA-OH 3.29Å; P67-Y123 HydrophobicContact CB-CE2 4.24Å; F119-Y123 WeakPolarHBondContact O-CD1 3.36Å; M120-Y123 HydrophobicContact CB-CE1 4.32Å; M120-Y123 HydrophobicContact CG-CE1 4.17Å; M120-Y123 WeakPolarHBondContact CG-OH 3.44Å; M120-Y123 VanDerWaalsContact O-CD1 3.3Å; M120-Y123 WeakPolarHBondContact O-CD1 3.43Å; M120-Y123 WeakPolarHBondContact O-CE1 3.46Å; M120-Y123 PolarHBondContact O-N 3.46Å; M120-Y123 VanDerWaalsContact O-N 3.17Å; Y123-R126 PolarHBondContact O-N 3.07Å; Y123-S127 PolarHBondContact O-N 2.65Å; Y123-S127 PolarHBondContact O-OG 3.19Å
124E96.2Very high96.7Very high12 Ų1227.4 Ų27.46%0.05614%0.137CC..Hα-helixtrans-64.9-45.6175.6-62.3-69.616900111.2P67 Q68 H69 M120 F121 R126 S127 E128P67-E124 VanDerWaalsContact CA-OE1 3.28Å; P67-E124 WeakPolarHBondContact CA-OE1 3.47Å; Q68-E124 HydrophobicContact CG-CG 4.41Å; Q68-E124 PolarHBondContact N-OE1 3.4Å; H69-E124 IonicContact ND1-OE2 3.47Å; H69-E124 PolarHBondContact ND1-OE2 3.42Å; M120-E124 HydrophobicContact CG-CG 4.17Å; M120-E124 WeakPolarHBondContact O-CG 3.5Å; M120-E124 PolarHBondContact O-N 2.9Å; F121-E124 HydrophobicContact CD1-CB 4.46Å; E124-R126 PolarHBondContact O-N 2.8Å; E124-R126 VanDerWaalsContact O-N 3.16Å; E124-S127 VanDerWaalsContact CA-OG 3.32Å; E124-S127 WeakPolarHBondContact CA-OG 3.49Å; E124-S127 PolarHBondContact O-N 3.41Å; E124-S127 PolarHBondContact O-OG 2.85Å; E124-E128 WeakPolarHBondContact O-CG 3.22Å; E124-E128 PolarHBondContact O-N 3.11Å; E124-E128 VanDerWaalsContact O-N 3.15Å
125T96.8Very high96.7Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-56.4-39.2175.8-54.30000111.3F121 G129 I133 L250 L253 N254 I258F121-T125 WeakPolarHBondContact O-CB 3.36Å; F121-T125 PolarHBondContact O-N 2.74Å; F121-T125 PolarHBondContact O-OG1 2.87Å; T125-G129 PolarHBondContact O-N 3.4Å; T125-I133 HydrophobicContact CG2-CB 4.2Å; T125-I133 HydrophobicContact CG2-CD1 4.12Å; T125-L250 HydrophobicContact CG2-CD2 4.42Å; T125-L253 HydrophobicContact CG2-CD1 4.5Å; T125-L253 HydrophobicContact CG2-CD2 3.79Å; T125-N254 PolarHBondContact OG1-ND2 3.41Å; T125-I258 HydrophobicContact CG2-CD1 4.1Å
126R96.4Very high96.7Very high39 Ų3926 Ų2615%0.14713%0.132CC..Hα-helixtrans-76.1-29.2179.7175.855.3-170.597.1-4.6112.1L19 L20 L26 Y123 E124 E128 G129 I133L19-R126 HydrophobicContact CD1-CG 4.43Å; L19-R126 PolarHBondContact O-NE 3.46Å; L20-R126 PolarHBondContact O-NH2 3.13Å; L26-R126 HydrophobicContact CD2-CB 3.6Å; L26-R126 HydrophobicContact CD2-CG 3.31Å; Y123-R126 PolarHBondContact O-N 3.07Å; E124-R126 PolarHBondContact O-N 2.8Å; E124-R126 VanDerWaalsContact O-N 3.16Å; R126-E128 VanDerWaalsContact C-N 3.3Å; R126-G129 PolarHBondContact O-N 3.19Å; R126-I133 HydrophobicContact CB-CB 4.19Å; R126-I133 HydrophobicContact CB-CG1 4.49Å; R126-I133 HydrophobicContact CB-CG2 4.14Å; R126-I133 HydrophobicContact CG-CG2 4.28Å
127S95.1Very high96.7Very high58 Ų5826.4 Ų26.441%0.40613%0.133SC..Hα-helixtrans-67.5-32.4173.850.70000112.3Y123 E124Y123-S127 PolarHBondContact O-N 2.65Å; Y123-S127 PolarHBondContact O-OG 3.19Å; E124-S127 VanDerWaalsContact CA-OG 3.32Å; E124-S127 WeakPolarHBondContact CA-OG 3.49Å; E124-S127 PolarHBondContact O-N 3.41Å; E124-S127 PolarHBondContact O-OG 2.85Å
128E94.2Very high96.8Very high97 Ų9725.9 Ų25.945%0.45313%0.131SC..Hα-helixtrans-71.2-32.2175.2-63.1-57.8126.300112.6E124 R126 Y132 I258E124-E128 WeakPolarHBondContact O-CG 3.22Å; E124-E128 PolarHBondContact O-N 3.11Å; E124-E128 VanDerWaalsContact O-N 3.15Å; R126-E128 VanDerWaalsContact C-N 3.3Å; E128-Y132 HydrophobicContact CB-CD2 3.94Å; E128-Y132 HydrophobicContact CB-CE2 4.26Å; E128-I258 HydrophobicContact CB-CD1 3.97Å; E128-I258 HydrophobicContact CB-CG2 4.12Å; E128-I258 HydrophobicContact CG-CD1 4.19Å; E128-I258 HydrophobicContact CG-CG2 3.62Å
129G94.3Very high96.8Very high10 Ų1025.9 Ų25.910%0.10313%0.131CC..  trans172.5145173.200000113.8T125 R126 H131 Y132T125-G129 PolarHBondContact O-N 3.4Å; R126-G129 PolarHBondContact O-N 3.19Å; G129-H131 PolarHBondContact O-N 3.39Å; G129-Y132 PolarHBondContact O-N 2.92Å
130L96.1Very high96.8Very high55 Ų5526.2 Ų26.229%0.28813%0.133SC..Hα-helixtrans-60.1-35.4172.5-179.461.6000111.3L20 Y132 I133 L134L20-L130 HydrophobicContact CD2-CD1 4.31Å; L20-L130 HydrophobicContact CD2-CD2 3.99Å; L130-Y132 VanDerWaalsContact C-N 3.34Å; L130-Y132 PolarHBondContact O-N 3.32Å; L130-I133 HydrophobicContact CD1-CG2 4.11Å; L130-I133 WeakPolarHBondContact O-CG2 3.27Å; L130-I133 PolarHBondContact O-N 3.43Å; L130-L134 HydrophobicContact CD1-CD1 4.19Å; L130-L134 HydrophobicContact CD1-CG 4.1Å; L130-L134 HydrophobicContact CD2-CD1 4.34Å; L130-L134 HydrophobicContact CG-CD1 3.8Å; L130-L134 HydrophobicContact CG-CG 4.17Å; L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 WeakPolarHBondContact O-CG 3.02Å; L130-L134 PolarHBondContact O-N 2.82Å
131H95.9Very high96.8Very high54 Ų5431.7 Ų31.725%0.2515%0.153CC..Hα-helixtrans-64.8-35.2179.359.8-86000112.7G129 Y135 M186 V190 F192G129-H131 PolarHBondContact O-N 3.39Å; H131-Y135 VanDerWaalsContact O-CB 3.22Å; H131-Y135 WeakPolarHBondContact O-CB 3.34Å; H131-Y135 PolarHBondContact O-N 3.47Å; H131-M186 HydrophobicContact CB-CE 4.4Å; H131-V190 HydrophobicContact CB-CB 4.49Å; H131-V190 HydrophobicContact CB-CG1 3.88Å; H131-V190 HydrophobicContact CB-CG2 3.87Å; H131-F192 AromaticContact CD2-CE1 3.98Å
132Y97Very high96.9Very high33 Ų3332.7 Ų32.713%0.12916%0.16CC..Hα-helixtrans-67.1-45.2177.3-70.4-59.1000112.9E128 G129 L130 Y135 A136 F192 L253 L257 I258E128-Y132 HydrophobicContact CB-CD2 3.94Å; E128-Y132 HydrophobicContact CB-CE2 4.26Å; G129-Y132 PolarHBondContact O-N 2.92Å; L130-Y132 VanDerWaalsContact C-N 3.34Å; L130-Y132 PolarHBondContact O-N 3.32Å; Y132-Y135 WeakPolarHBondContact O-CB 3.36Å; Y132-Y135 PolarHBondContact O-N 2.84Å; Y132-A136 PolarHBondContact O-N 3.19Å; Y132-F192 HydrophobicContact CD1-CD1 4.27Å; Y132-F192 AromaticContact CD1-CE1 3.96Å; Y132-F192 HydrophobicContact CD1-CE1 3.96Å; Y132-F192 AromaticContact CE1-CD1 3.82Å; Y132-F192 HydrophobicContact CE1-CD1 3.82Å; Y132-F192 AromaticContact CE1-CE1 3.98Å; Y132-F192 HydrophobicContact CE1-CE1 3.98Å; Y132-L253 HydrophobicContact CD1-CD2 4.41Å; Y132-L257 HydrophobicContact CD1-CD2 3.57Å; Y132-L257 HydrophobicContact CD1-CG 4.42Å; Y132-L257 HydrophobicContact CE1-CD2 3.61Å; Y132-L257 HydrophobicContact CE1-CG 4.02Å; Y132-I258 HydrophobicContact CD1-CD1 4.25Å; Y132-I258 HydrophobicContact CD1-CG1 3.93Å; Y132-I258 HydrophobicContact CD2-CD1 4.01Å; Y132-I258 HydrophobicContact CD2-CG1 4.03Å; Y132-I258 HydrophobicContact CE1-CG1 3.95Å; Y132-I258 HydrophobicContact CE2-CG1 4.06Å; Y132-I258 HydrophobicContact CG-CD1 3.88Å; Y132-I258 HydrophobicContact CG-CG1 3.98Å
133I97.2Very high96.9Very high0 Ų032.9 Ų32.90%016%0.161CC..Hα-helixtrans-70.6-35178.3-165.566.2000111.7L19 F122 T125 R126 L130 Y135 A136 F137 L250L19-I133 HydrophobicContact CD1-CG1 4.11Å; L19-I133 HydrophobicContact CD1-CG2 4.1Å; F122-I133 HydrophobicContact CD2-CD1 3.8Å; F122-I133 HydrophobicContact CD2-CG1 4.45Å; F122-I133 HydrophobicContact CE2-CD1 4.01Å; F122-I133 HydrophobicContact CE2-CG1 4.18Å; T125-I133 HydrophobicContact CG2-CB 4.2Å; T125-I133 HydrophobicContact CG2-CD1 4.12Å; R126-I133 HydrophobicContact CB-CB 4.19Å; R126-I133 HydrophobicContact CB-CG1 4.49Å; R126-I133 HydrophobicContact CB-CG2 4.14Å; R126-I133 HydrophobicContact CG-CG2 4.28Å; L130-I133 HydrophobicContact CD1-CG2 4.11Å; L130-I133 WeakPolarHBondContact O-CG2 3.27Å; L130-I133 PolarHBondContact O-N 3.43Å; I133-Y135 VanDerWaalsContact C-N 3.31Å; I133-A136 PolarHBondContact O-N 3.44Å; I133-F137 HydrophobicContact CD1-CE1 4.32Å; I133-F137 HydrophobicContact CD1-CZ 4.33Å; I133-F137 HydrophobicContact CG1-CE1 4.39Å; I133-F137 HydrophobicContact CG1-CE2 4.07Å; I133-F137 HydrophobicContact CG1-CZ 4.04Å; I133-F137 WeakPolarHBondContact O-CG 3.49Å; I133-F137 PolarHBondContact O-N 3.05Å; I133-L250 HydrophobicContact CD1-CD2 3.41Å; I133-L250 VanDerWaalsContact CD1-CD2 3.41Å
134L96.9Very high96.9Very high64 Ų6435.5 Ų35.534%0.33518%0.175SC..Hα-helixtrans-65.2-38.3173.8-72.2177.9000111.1L130 F137 L138L130-L134 HydrophobicContact CD1-CD1 4.19Å; L130-L134 HydrophobicContact CD1-CG 4.1Å; L130-L134 HydrophobicContact CD2-CD1 4.34Å; L130-L134 HydrophobicContact CG-CD1 3.8Å; L130-L134 HydrophobicContact CG-CG 4.17Å; L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 WeakPolarHBondContact O-CG 3.02Å; L130-L134 PolarHBondContact O-N 2.82Å; L134-F137 PolarHBondContact O-N 3.4Å; L134-L138 WeakPolarHBondContact O-CB 3.14Å; L134-L138 VanDerWaalsContact O-CG 3.24Å; L134-L138 WeakPolarHBondContact O-CG 3.44Å; L134-L138 PolarHBondContact O-N 2.84Å
135Y97.9Very high96.9Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-59.4-47.2173.5-177-114.1000111.5H131 Y132 I133 F137 L138 I139 V182 P183 M186 F192 L199 T203 L206 L253 L257H131-Y135 VanDerWaalsContact O-CB 3.22Å; H131-Y135 WeakPolarHBondContact O-CB 3.34Å; H131-Y135 PolarHBondContact O-N 3.47Å; Y132-Y135 WeakPolarHBondContact O-CB 3.36Å; Y132-Y135 PolarHBondContact O-N 2.84Å; I133-Y135 VanDerWaalsContact C-N 3.31Å; Y135-F137 PolarHBondContact O-N 3.41Å; Y135-L138 PolarHBondContact O-N 2.78Å; Y135-I139 HydrophobicContact CD1-CD1 3.83Å; Y135-I139 HydrophobicContact CD2-CD1 4.27Å; Y135-I139 HydrophobicContact CE1-CD1 3.46Å; Y135-I139 VanDerWaalsContact CE1-CD1 3.46Å; Y135-I139 HydrophobicContact CE2-CD1 3.94Å; Y135-I139 HydrophobicContact CE2-CG1 4.43Å; Y135-I139 HydrophobicContact CG-CD1 4.24Å; Y135-I139 WeakPolarHBondContact O-CG1 3.38Å; Y135-I139 PolarHBondContact O-N 2.86Å; Y135-V182 HydrophobicContact CD2-CG1 3.71Å; Y135-V182 HydrophobicContact CE2-CG1 3.93Å; Y135-P183 HydrophobicContact CE2-CB 4.11Å; Y135-M186 HydrophobicContact CD2-SD 3.65Å; Y135-M186 HydrophobicContact CG-SD 4.3Å; Y135-F192 AromaticContact CD2-CZ 3.92Å; Y135-F192 HydrophobicContact CD2-CZ 3.92Å; Y135-F192 HydrophobicContact CE2-CZ 4.4Å; Y135-F192 HydrophobicContact CG-CE1 4.31Å; Y135-F192 HydrophobicContact CG-CZ 4.01Å; Y135-L199 HydrophobicContact CE1-CD1 4.42Å; Y135-L199 VanDerWaalsContact OH-CD1 3.29Å; Y135-L199 WeakPolarHBondContact OH-CD1 3.32Å; Y135-T203 PolarHBondContact OH-OG1 3.39Å; Y135-L206 HydrophobicContact CE1-CD1 4.07Å; Y135-L253 HydrophobicContact CD1-CD1 3.97Å; Y135-L257 HydrophobicContact CD1-CD2 4.03Å; Y135-L257 HydrophobicContact CE1-CD2 4Å
136A98.2Very high97Very high0 Ų038.4 Ų38.40%020%0.195CC..Hα-helixtrans-57.7-47173.900000112.6Y132 I133 I139 V140 V249 L250 L253Y132-A136 PolarHBondContact O-N 3.19Å; I133-A136 PolarHBondContact O-N 3.44Å; A136-I139 PolarHBondContact O-N 3.11Å; A136-V140 WeakPolarHBondContact O-CG2 3.47Å; A136-V140 PolarHBondContact O-N 3.09Å; A136-V249 HydrophobicContact CB-CG1 4.01Å; A136-L250 HydrophobicContact CB-CD2 3.83Å; A136-L253 HydrophobicContact CB-CD1 3.82Å
137F97.8Very high97Very high7 Ų737.6 Ų37.63%0.03120%0.196CC..Hα-helixtrans-62.3-46.3179.1-73.1-11.7000112.6F15 L19 F122 I133 L134 Y135 I139 V140 W141 F246F15-F137 AromaticContact CE1-CE2 3.62Å; F15-F137 HydrophobicContact CE1-CE2 3.62Å; F15-F137 AromaticContact CE1-CZ 3.95Å; F15-F137 HydrophobicContact CE1-CZ 3.95Å; F15-F137 AromaticContact CZ-CE2 3.66Å; F15-F137 HydrophobicContact CZ-CE2 3.66Å; F15-F137 AromaticContact CZ-CZ 3.55Å; F15-F137 HydrophobicContact CZ-CZ 3.55Å; L19-F137 HydrophobicContact CD1-CE2 4.12Å; L19-F137 HydrophobicContact CD2-CD2 4.27Å; L19-F137 HydrophobicContact CD2-CE2 3.71Å; F122-F137 HydrophobicContact CE2-CE1 4.47Å; F122-F137 AromaticContact CE2-CZ 3.76Å; F122-F137 HydrophobicContact CE2-CZ 3.76Å; I133-F137 HydrophobicContact CD1-CE1 4.32Å; I133-F137 HydrophobicContact CD1-CZ 4.33Å; I133-F137 HydrophobicContact CG1-CE1 4.39Å; I133-F137 HydrophobicContact CG1-CE2 4.07Å; I133-F137 HydrophobicContact CG1-CZ 4.04Å; I133-F137 WeakPolarHBondContact O-CG 3.49Å; I133-F137 PolarHBondContact O-N 3.05Å; L134-F137 PolarHBondContact O-N 3.4Å; Y135-F137 PolarHBondContact O-N 3.41Å; F137-I139 PolarHBondContact O-N 2.93Å; F137-V140 PolarHBondContact O-N 3.02Å; F137-W141 HydrophobicContact CB-CD2 4.44Å; F137-W141 HydrophobicContact CB-CE3 4.43Å; F137-W141 HydrophobicContact CB-CH2 4.2Å; F137-W141 HydrophobicContact CB-CZ2 4.2Å; F137-W141 HydrophobicContact CB-CZ3 4.32Å; F137-W141 HydrophobicContact CD2-CH2 4.44Å; F137-W141 HydrophobicContact CD2-CZ2 4.48Å; F137-W141 HydrophobicContact CG-CZ2 4.34Å; F137-W141 WeakPolarHBondContact O-CB 3.29Å; F137-W141 PolarHBondContact O-N 3.27Å; F137-F246 HydrophobicContact CD1-CD1 4.04Å; F137-F246 AromaticContact CD1-CE1 3.3Å; F137-F246 HydrophobicContact CD1-CE1 3.3Å; F137-F246 HydrophobicContact CD1-CE2 4.16Å; F137-F246 AromaticContact CD1-CZ 3.36Å; F137-F246 HydrophobicContact CD1-CZ 3.36Å; F137-F246 HydrophobicContact CE1-CD1 4.07Å; F137-F246 HydrophobicContact CE1-CD2 4.41Å; F137-F246 AromaticContact CE1-CE1 3.72Å; F137-F246 HydrophobicContact CE1-CE1 3.72Å; F137-F246 HydrophobicContact CE1-CE2 4.07Å; F137-F246 HydrophobicContact CE1-CG 4.43Å; F137-F246 AromaticContact CE1-CZ 3.71Å; F137-F246 HydrophobicContact CE1-CZ 3.71Å; F137-F246 HydrophobicContact CG-CE1 4.46Å; F137-F246 HydrophobicContact CG-CZ 4.4Å
138L98Very high97.1Very high59 Ų5942 Ų4231%0.30921%0.205SC..Hα-helixtrans-64-41.6178.4-70.8169000111.3L134 Y135 L142 V182 M186L134-L138 WeakPolarHBondContact O-CB 3.14Å; L134-L138 VanDerWaalsContact O-CG 3.24Å; L134-L138 WeakPolarHBondContact O-CG 3.44Å; L134-L138 PolarHBondContact O-N 2.84Å; Y135-L138 PolarHBondContact O-N 2.78Å; L138-L142 VanDerWaalsContact O-CB 3.28Å; L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 WeakPolarHBondContact O-CD2 3.38Å; L138-L142 PolarHBondContact O-N 2.98Å; L138-V182 HydrophobicContact CB-CB 4.43Å; L138-V182 HydrophobicContact CB-CG1 3.57Å; L138-V182 HydrophobicContact CB-CG2 3.95Å; L138-V182 HydrophobicContact CD1-CG1 4.35Å; L138-M186 HydrophobicContact CD1-CG 4.27Å; L138-M186 HydrophobicContact CD1-SD 3.67Å
139I98.4Very high97.2Very high0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-58.8-52.3175.7-72.7174000110.6Y135 A136 F137 T143 V182 T203 L206Y135-I139 HydrophobicContact CD1-CD1 3.83Å; Y135-I139 HydrophobicContact CD2-CD1 4.27Å; Y135-I139 HydrophobicContact CE1-CD1 3.46Å; Y135-I139 VanDerWaalsContact CE1-CD1 3.46Å; Y135-I139 HydrophobicContact CE2-CD1 3.94Å; Y135-I139 HydrophobicContact CE2-CG1 4.43Å; Y135-I139 HydrophobicContact CG-CD1 4.24Å; Y135-I139 WeakPolarHBondContact O-CG1 3.38Å; Y135-I139 PolarHBondContact O-N 2.86Å; A136-I139 PolarHBondContact O-N 3.11Å; F137-I139 PolarHBondContact O-N 2.93Å; I139-T143 WeakPolarHBondContact O-CB 3.46Å; I139-T143 PolarHBondContact O-N 3.39Å; I139-T143 PolarHBondContact O-OG1 3.11Å; I139-V182 HydrophobicContact CG1-CB 4.21Å; I139-V182 HydrophobicContact CG1-CG1 4.06Å; I139-V182 HydrophobicContact CG1-CG2 4.42Å; I139-T203 HydrophobicContact CD1-CG2 3.97Å; I139-T203 HydrophobicContact CG1-CG2 4.1Å; I139-L206 HydrophobicContact CD1-CB 4.2Å; I139-L206 HydrophobicContact CD1-CD1 3.78Å; I139-L206 HydrophobicContact CG2-CB 4.2Å
140V98.3Very high97.4Very high7 Ų744.7 Ų44.74%0.04222%0.216CC..Hα-helixtrans-62.4-48-178.1172.10000110.7A136 F137 L142 T143 D144 F246 V249A136-V140 WeakPolarHBondContact O-CG2 3.47Å; A136-V140 PolarHBondContact O-N 3.09Å; F137-V140 PolarHBondContact O-N 3.02Å; V140-L142 PolarHBondContact O-N 2.86Å; V140-T143 WeakPolarHBondContact O-CB 3.32Å; V140-T143 PolarHBondContact O-N 2.79Å; V140-D144 PolarHBondContact O-N 3.27Å; V140-F246 HydrophobicContact CB-CD1 4.47Å; V140-F246 HydrophobicContact CB-CE1 3.55Å; V140-F246 HydrophobicContact CB-CZ 3.67Å; V140-F246 HydrophobicContact CG1-CE1 3.98Å; V140-F246 HydrophobicContact CG1-CE2 4.23Å; V140-F246 HydrophobicContact CG1-CZ 3.69Å; V140-F246 HydrophobicContact CG2-CD1 3.85Å; V140-F246 HydrophobicContact CG2-CE1 3.35Å; V140-F246 HydrophobicContact CG2-CZ 3.97Å; V140-V249 HydrophobicContact CG2-CB 4.32Å; V140-V249 HydrophobicContact CG2-CG1 4.28Å; V140-V249 HydrophobicContact CG2-CG2 3.75Å
141W97.3Very high97.4Very high129 Ų12942.8 Ų42.849%0.48921%0.21SC..Hα-helixtrans-65.2-41.2-178.3-64.6-16.6000113.4F137 T145F137-W141 HydrophobicContact CB-CD2 4.44Å; F137-W141 HydrophobicContact CB-CE3 4.43Å; F137-W141 HydrophobicContact CB-CH2 4.2Å; F137-W141 HydrophobicContact CB-CZ2 4.2Å; F137-W141 HydrophobicContact CB-CZ3 4.32Å; F137-W141 HydrophobicContact CD2-CH2 4.44Å; F137-W141 HydrophobicContact CD2-CZ2 4.48Å; F137-W141 HydrophobicContact CG-CZ2 4.34Å; F137-W141 WeakPolarHBondContact O-CB 3.29Å; F137-W141 PolarHBondContact O-N 3.27Å; W141-T145 VanDerWaalsContact O-CB 3.25Å; W141-T145 WeakPolarHBondContact O-CB 3.36Å; W141-T145 PolarHBondContact O-N 3.49Å; W141-T145 PolarHBondContact O-OG1 2.94Å
142L98.1Very high97.4Very high54 Ų5447.7 Ų47.728%0.28323%0.23SC..Hα-helixtrans-70.3-34.7176.1-89.5-71.4000111.5L138 V140 G146 V182L138-L142 VanDerWaalsContact O-CB 3.28Å; L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 WeakPolarHBondContact O-CD2 3.38Å; L138-L142 PolarHBondContact O-N 2.98Å; V140-L142 PolarHBondContact O-N 2.86Å; L142-G146 PolarHBondContact O-N 2.99Å; L142-V182 HydrophobicContact CB-CG2 4.03Å; L142-V182 HydrophobicContact CD2-CG2 4.49Å; L142-V182 HydrophobicContact CG-CG2 3.95Å
143T98.5Very high97.4Very high3 Ų353 Ų532%0.01826%0.258CS..Hα-helixtrans-63.2-50.3174.5-600000110.7I139 V140 T145 G146 A147 G175 S179 S207 Q211I139-T143 WeakPolarHBondContact O-CB 3.46Å; I139-T143 PolarHBondContact O-N 3.39Å; I139-T143 PolarHBondContact O-OG1 3.11Å; V140-T143 WeakPolarHBondContact O-CB 3.32Å; V140-T143 PolarHBondContact O-N 2.79Å; T143-T145 PolarHBondContact O-N 3.07Å; T143-G146 PolarHBondContact O-N 3.39Å; T143-A147 VanDerWaalsContact O-CB 3.23Å; T143-A147 WeakPolarHBondContact O-CB 3.22Å; T143-A147 PolarHBondContact O-N 2.84Å; T143-G175 VanDerWaalsContact O-CA 3.29Å; T143-G175 WeakPolarHBondContact O-CA 3.42Å; T143-S179 WeakPolarHBondContact OG1-CB 3.48Å; T143-S207 WeakPolarHBondContact CG2-OG 3.39Å; T143-S207 WeakPolarHBondContact OG1-CB 3.28Å; T143-S207 PolarHBondContact OG1-OG 3.47Å; T143-Q211 HydrophobicContact CG2-CG 3.47Å; T143-Q211 VanDerWaalsContact CG2-CG 3.47Å
144D96.4Very high97.3Very high64 Ų6458.2 Ų58.234%0.34228%0.284SS..Hα-helixtrans-63.4-42.5179.3-75.1-11.2000111.8V140 A147 Y148V140-D144 PolarHBondContact O-N 3.27Å; D144-A147 PolarHBondContact O-N 3.37Å; D144-Y148 WeakPolarHBondContact O-CB 3.42Å; D144-Y148 PolarHBondContact O-N 3.31Å
145T96.6Very high97.2Very high72 Ų7256.7 Ų56.744%0.44228%0.283SS..Hα-helixtrans-64.5-48.3177.9-58.30000110.7W141 T143 A147 Y148 L149W141-T145 VanDerWaalsContact O-CB 3.25Å; W141-T145 WeakPolarHBondContact O-CB 3.36Å; W141-T145 PolarHBondContact O-N 3.49Å; W141-T145 PolarHBondContact O-OG1 2.94Å; T143-T145 PolarHBondContact O-N 3.07Å; T145-A147 VanDerWaalsContact C-N 3.34Å; T145-A147 PolarHBondContact O-N 3.34Å; T145-Y148 PolarHBondContact O-N 3.44Å; T145-L149 HydrophobicContact CG2-CD1 3.9Å; T145-L149 HydrophobicContact CG2-CG 4.38Å; T145-L149 WeakPolarHBondContact O-CB 3.31Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.26Å; T145-L149 PolarHBondContact O-N 3.47Å
146G97.8Very high97Very high2 Ų265.2 Ų65.22%0.02132%0.32CS..Hα-helixtrans-59.5-45.2175.800000111.7L142 T143 Y148 L149 F150 C178L142-G146 PolarHBondContact O-N 2.99Å; T143-G146 PolarHBondContact O-N 3.39Å; G146-Y148 VanDerWaalsContact C-N 3.34Å; G146-Y148 PolarHBondContact O-N 3.06Å; G146-L149 PolarHBondContact O-N 3.33Å; G146-F150 WeakPolarHBondContact O-CB 3.38Å; G146-F150 WeakPolarHBondContact O-CD2 3.41Å; G146-F150 PolarHBondContact O-N 3.48Å; G146-C178 VanDerWaalsContact CA-SG 3.58Å
147A97.6Very high97Very high22 Ų2270.7 Ų70.718%0.18235%0.346CS..Hα-helixtrans-63.3-40.6179.400000113T143 D144 T145 G151 G171T143-A147 VanDerWaalsContact O-CB 3.23Å; T143-A147 WeakPolarHBondContact O-CB 3.22Å; T143-A147 PolarHBondContact O-N 2.84Å; D144-A147 PolarHBondContact O-N 3.37Å; T145-A147 VanDerWaalsContact C-N 3.34Å; T145-A147 PolarHBondContact O-N 3.34Å; A147-G151 WeakPolarHBondContact O-CA 3.26Å; A147-G151 PolarHBondContact O-N 3.46Å; A147-G171 WeakPolarHBondContact CA-O 3.48Å; A147-G171 WeakPolarHBondContact CB-O 3.35Å; A147-G171 VanDerWaalsContact O-CA 3.27Å; A147-G171 WeakPolarHBondContact O-CA 3.42Å
148Y96.1Very high96.8Very high151 Ų15175.5 Ų75.559%0.59237%0.367SS*.Hα-helixtrans-64.8-47.7174176.3-102.3000112.3D144 T145 G146 K152D144-Y148 WeakPolarHBondContact O-CB 3.42Å; D144-Y148 PolarHBondContact O-N 3.31Å; T145-Y148 PolarHBondContact O-N 3.44Å; G146-Y148 VanDerWaalsContact C-N 3.34Å; G146-Y148 PolarHBondContact O-N 3.06Å; Y148-K152 VanDerWaalsContact O-CB 3.28Å; Y148-K152 WeakPolarHBondContact O-CB 3.4Å; Y148-K152 PolarHBondContact O-N 3.14Å
149L97.4Very high96.5Very high83 Ų8374.6 Ų74.644%0.43536%0.362SS..Hα-helixtrans-66-55.1-176.3-71.1175.5000111.9T145 G146 G151 K152 M153T145-L149 HydrophobicContact CG2-CD1 3.9Å; T145-L149 HydrophobicContact CG2-CG 4.38Å; T145-L149 WeakPolarHBondContact O-CB 3.31Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.26Å; T145-L149 PolarHBondContact O-N 3.47Å; G146-L149 PolarHBondContact O-N 3.33Å; L149-G151 VanDerWaalsContact C-N 3.31Å; L149-G151 PolarHBondContact O-N 2.84Å; L149-K152 PolarHBondContact O-N 3.2Å; L149-M153 WeakPolarHBondContact O-CB 3.3Å; L149-M153 VanDerWaalsContact O-CG 3.3Å; L149-M153 WeakPolarHBondContact O-CG 3.41Å; L149-M153 PolarHBondContact O-N 2.91Å
150F97.7Very high96.2Very high79 Ų7981.7 Ų81.735%0.34639%0.389SS..Hα-helixtrans-67-34.9179.7-78-89.1000111.7G146 K152 M153 M154 G155G146-F150 WeakPolarHBondContact O-CB 3.38Å; G146-F150 WeakPolarHBondContact O-CD2 3.41Å; G146-F150 PolarHBondContact O-N 3.48Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 2.96Å; F150-M153 PolarHBondContact O-N 2.79Å; F150-M154 HydrophobicContact CD1-SD 4.22Å; F150-M154 PolarHBondContact O-N 2.88Å; F150-G155 PolarHBondContact O-N 3.02Å
151G96.9Very high95.8Very high16 Ų1685.1 Ų85.117%0.16541%0.411CS..Hα-helixtrans-63.9-36.8174.800000112.7A147 L149 G155 T168A147-G151 WeakPolarHBondContact O-CA 3.26Å; A147-G151 PolarHBondContact O-N 3.46Å; L149-G151 VanDerWaalsContact C-N 3.31Å; L149-G151 PolarHBondContact O-N 2.84Å; G151-G155 WeakPolarHBondContact O-CA 3.42Å; G151-G155 PolarHBondContact O-N 3.24Å; G151-T168 WeakPolarHBondContact CA-OG1 3.15Å
152K95.7Very high95.5Very high156 Ų15684.8 Ų84.868%0.67842%0.423SS*.Hα-helixtrans-74.7-37.8175.7-173.7-179.9178.7-175.80112.9Y148 L149 F150Y148-K152 VanDerWaalsContact O-CB 3.28Å; Y148-K152 WeakPolarHBondContact O-CB 3.4Å; Y148-K152 PolarHBondContact O-N 3.14Å; L149-K152 PolarHBondContact O-N 3.2Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 2.96Å
153M96Very high95.2Very high144 Ų14484.1 Ų84.171%0.70942%0.419SS*.Hα-helixtrans-78.7-39.5-176.2-70.1172.263.600113L149 F150L149-M153 WeakPolarHBondContact O-CB 3.3Å; L149-M153 VanDerWaalsContact O-CG 3.3Å; L149-M153 WeakPolarHBondContact O-CG 3.41Å; L149-M153 PolarHBondContact O-N 2.91Å; F150-M153 PolarHBondContact O-N 2.79Å
154M95.9Very high94.7Very high111 Ų11184.7 Ų84.755%0.54742%0.424SS..Hα-helixtrans-129.3-3-167.9-60.2179.770.700113.6F150 K156 E170F150-M154 HydrophobicContact CD1-SD 4.22Å; F150-M154 PolarHBondContact O-N 2.88Å; M154-K156 PolarHBondContact O-N 3.35Å; M154-K156 VanDerWaalsContact O-N 3.11Å; M154-E170 HydrophobicContact CB-CB 4.34Å
155G94.4Very high94.3Very high31 Ų3185 Ų8532%0.3243%0.43SS..  trans-63.6111.3-174.400000113.1F150 G151 E170F150-G155 PolarHBondContact O-N 3.02Å; G151-G155 WeakPolarHBondContact O-CA 3.42Å; G151-G155 PolarHBondContact O-N 3.24Å; G155-E170 WeakPolarHBondContact CA-OE2 3.5Å
156K94.2Very high94Very high179 Ų17988.3 Ų88.378%0.77844%0.444SS*.  trans-113.7-36.7175.2-66.7178.4-177.3179.70111.1M154 E170M154-K156 PolarHBondContact O-N 3.35Å; M154-K156 VanDerWaalsContact O-N 3.11Å; K156-E170 PolarHBondContact N-OE1 3.25Å; K156-E170 PolarHBondContact N-OE2 3.03Å
157H97Very high93.8Very high115 Ų11590.1 Ų90.153%0.53245%0.452SS..SBendtrans-105.4124-174.7-55.991.4000110.3T168 I169 E170H157-T168 CarbonylContact O-C 3.5Å; H157-T168 WeakPolarHBondContact O-CA 3.41Å; H157-T168 WeakPolarHBondContact O-CB 3.32Å; H157-I169 HydrophobicContact CB-CB 4.27Å; H157-I169 HydrophobicContact CB-CD1 3.77Å; H157-I169 HydrophobicContact CB-CG1 4.05Å; H157-I169 PolarHBondContact O-N 3.28Å; H157-E170 IonicContact CE1-OE1 3.71Å; H157-E170 IonicContact CG-OE1 3.68Å; H157-E170 PolarHBondContact N-OE1 3.37Å; H157-E170 PolarHBondContact N-OE2 3.2Å; H157-E170 IonicContact ND1-OE1 2.74Å; H157-E170 PolarHBondContact ND1-OE1 2.69Å
158K95Very high93.7Very high109 Ų10989.7 Ų89.747%0.47445%0.446SS..EExtended strand (participates in β ladder)trans-68.6134.1175.6-63.2-60.1-173.8170.90109.9P161 P165 T168K158-P161 HydrophobicContact CB-CG 3.67Å; K158-P161 HydrophobicContact CG-CG 4.39Å; K158-P165 WeakPolarHBondContact CD-O 3.29Å; K158-P165 WeakPolarHBondContact CE-O 3.4Å; K158-P165 PolarHBondContact NZ-O 3.48Å; K158-T168 HydrophobicContact CD-CG2 4.42Å
159L92.1Very high93.8Very high39 Ų3985.8 Ų85.820%0.20444%0.435CS..EExtended strand (participates in β ladder)trans-71.3-51.2-178.9-176.365.9000111K167 I169 F172 L215L159-K167 HydrophobicContact CB-CB 4.1Å; L159-K167 HydrophobicContact CD2-CB 4.2Å; L159-K167 HydrophobicContact CD2-CD 4.41Å; L159-K167 PolarHBondContact N-O 2.96Å; L159-I169 HydrophobicContact CD1-CG1 4.03Å; L159-F172 HydrophobicContact CD1-CB 4.21Å; L159-F172 HydrophobicContact CD1-CG 4.31Å; L159-F172 HydrophobicContact CD2-CB 4.05Å; L159-F172 HydrophobicContact CD2-CD2 4.13Å; L159-F172 HydrophobicContact CD2-CG 4.36Å; L159-L215 HydrophobicContact CD2-CD1 3.91Å; L159-L215 HydrophobicContact CD2-CD2 4.49Å
160W91.6Very high93.8Very high149 Ų14983.9 Ų83.956%0.56442%0.424SS*.EExtended strand (participates in β ladder)trans-153.881.5179.7-150.4-69.5000111.5V162 I163 S164W160-V162 VanDerWaalsContact C-N 3.27Å; W160-V162 PolarHBondContact O-N 3.49Å; W160-V162 VanDerWaalsContact O-N 3.09Å; W160-I163 VanDerWaalsContact CD1-CG1 3.5Å; W160-I163 HydrophobicContact CD2-CD1 4.49Å; W160-I163 HydrophobicContact CG-CB 4.25Å; W160-I163 HydrophobicContact CG-CD1 4.23Å; W160-I163 HydrophobicContact CG-CG1 4.39Å; W160-I163 PolarHBondContact O-N 3.04Å; W160-I163 VanDerWaalsContact O-N 3.11Å; W160-S164 CarbonylContact O-C 3.3Å; W160-S164 PolarHBondContact O-N 3.26Å
161P90.3Very high93.8Very high79 Ų7980.2 Ų80.251%0.51341%0.409SS..THydrogen-bonded Turntrans-52.6-38-168.8-26.830.7000115.5K158K158-P161 HydrophobicContact CB-CG 3.67Å; K158-P161 HydrophobicContact CG-CG 4.39Å
162V90.7Very high93.9Very high122 Ų12281.2 Ų81.274%0.73941%0.409SS*.THydrogen-bonded Turntrans-71.6-35-175.9-178.10000112.1W160W160-V162 VanDerWaalsContact C-N 3.27Å; W160-V162 PolarHBondContact O-N 3.49Å; W160-V162 VanDerWaalsContact O-N 3.09Å
163I90.9Very high94Very high40 Ų4077.4 Ų77.421%0.20540%0.395CS..THydrogen-bonded Turntrans-95.4-46.7-174.4-65.9177.8000110.6W160 L215W160-I163 VanDerWaalsContact CD1-CG1 3.5Å; W160-I163 HydrophobicContact CD2-CD1 4.49Å; W160-I163 HydrophobicContact CG-CB 4.25Å; W160-I163 HydrophobicContact CG-CD1 4.23Å; W160-I163 HydrophobicContact CG-CG1 4.39Å; W160-I163 PolarHBondContact O-N 3.04Å; W160-I163 VanDerWaalsContact O-N 3.11Å; I163-L215 WeakPolarHBondContact CG2-O 3.4Å
164S89.1Confident94.1Very high16 Ų1670.7 Ų70.711%0.11236%0.363CS..EExtended strand (participates in β ladder)trans-139.588.7-176.9-167.20000110.6W160 N166 K167W160-S164 CarbonylContact O-C 3.3Å; W160-S164 PolarHBondContact O-N 3.26Å; S164-N166 PolarHBondContact O-N 3.04Å; S164-N166 VanDerWaalsContact O-N 3.13Å; S164-K167 PolarHBondContact O-N 3.38Å; S164-K167 WeakPolarHBondContact OG-CD 3.42Å; S164-K167 WeakPolarHBondContact OG-CG 3.37Å
165P87.5Confident94.2Very high71 Ų7165.4 Ų65.446%0.46134%0.337SS..EExtended strand (participates in β ladder)trans-67.4-16.2-172.825.5-35000114.1K158K158-P165 WeakPolarHBondContact CD-O 3.29Å; K158-P165 WeakPolarHBondContact CE-O 3.4Å; K158-P165 PolarHBondContact NZ-O 3.48Å
166N89.8Confident94.4Very high140 Ų14065.4 Ų65.475%0.74933%0.329SS*.EExtended strand (participates in β ladder)trans-97.7-16-175.7-66-30.4000113.5S164S164-N166 PolarHBondContact O-N 3.04Å; S164-N166 VanDerWaalsContact O-N 3.13Å
167K93.5Very high94.6Very high41 Ų4163.4 Ų63.418%0.17832%0.321CS..EExtended strand (participates in β ladder)trans-79.8142.2178.2-74.6-176174.3-168.80111.3L159 S164 D214 L215L159-K167 HydrophobicContact CB-CB 4.1Å; L159-K167 HydrophobicContact CD2-CB 4.2Å; L159-K167 HydrophobicContact CD2-CD 4.41Å; L159-K167 PolarHBondContact N-O 2.96Å; S164-K167 PolarHBondContact O-N 3.38Å; S164-K167 WeakPolarHBondContact OG-CD 3.42Å; S164-K167 WeakPolarHBondContact OG-CG 3.37Å; K167-D214 WeakPolarHBondContact CE-OD2 3.34Å; K167-D214 VanDerWaalsContact NZ-CG 3.27Å; K167-D214 IonicContact NZ-OD2 2.56Å; K167-D214 PolarHBondContact NZ-OD2 3.43Å; K167-L215 HydrophobicContact CD-CD2 3.85Å
168T96.8Very high94.6Very high12 Ų1259 Ų597%0.07430%0.303CS..EExtended strand (participates in β ladder)trans-122.6157.4178.962.20000111G151 H157 K158 E170 G171 F172G151-T168 WeakPolarHBondContact CA-OG1 3.15Å; H157-T168 CarbonylContact O-C 3.5Å; H157-T168 WeakPolarHBondContact O-CA 3.41Å; H157-T168 WeakPolarHBondContact O-CB 3.32Å; K158-T168 HydrophobicContact CD-CG2 4.42Å; T168-E170 VanDerWaalsContact C-N 3.33Å; T168-G171 PolarHBondContact O-N 3.43Å; T168-G171 PolarHBondContact OG1-N 3.31Å; T168-G171 VanDerWaalsContact OG1-N 3.11Å; T168-F172 PolarHBondContact O-N 3.1Å
169I97.6Very high94.8Very high70 Ų7053.8 Ų53.836%0.35928%0.28SS..Hα-helixtrans-64.5-42.2177.5-60.5-179.2000109.9H157 L159 G171 F172 I173H157-I169 HydrophobicContact CB-CB 4.27Å; H157-I169 HydrophobicContact CB-CD1 3.77Å; H157-I169 HydrophobicContact CB-CG1 4.05Å; H157-I169 PolarHBondContact O-N 3.28Å; L159-I169 HydrophobicContact CD1-CG1 4.03Å; I169-G171 VanDerWaalsContact C-N 3.31Å; I169-G171 PolarHBondContact O-N 3.04Å; I169-F172 WeakPolarHBondContact O-CB 3.4Å; I169-F172 PolarHBondContact O-N 3.2Å; I169-I173 HydrophobicContact CG2-CD1 3.99Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 3.13Å
170E98.1Very high95.1Very high42 Ų4253.8 Ų53.820%0.19628%0.28CS..Hα-helixtrans-65.1-36.9178.1-58.684174.700111.8M154 G155 K156 H157 T168 G174M154-E170 HydrophobicContact CB-CB 4.34Å; G155-E170 WeakPolarHBondContact CA-OE2 3.5Å; K156-E170 PolarHBondContact N-OE1 3.25Å; K156-E170 PolarHBondContact N-OE2 3.03Å; H157-E170 IonicContact CE1-OE1 3.71Å; H157-E170 IonicContact CG-OE1 3.68Å; H157-E170 PolarHBondContact N-OE1 3.37Å; H157-E170 PolarHBondContact N-OE2 3.2Å; H157-E170 IonicContact ND1-OE1 2.74Å; H157-E170 PolarHBondContact ND1-OE1 2.69Å; T168-E170 VanDerWaalsContact C-N 3.33Å; E170-G174 PolarHBondContact O-N 3.46Å
171G97.9Very high95.4Very high2 Ų251.5 Ų51.52%0.02128%0.278CS..Hα-helixtrans-61.9-52.3170.600000111A147 T168 I169 I173 G174 G175A147-G171 WeakPolarHBondContact CA-O 3.48Å; A147-G171 WeakPolarHBondContact CB-O 3.35Å; A147-G171 VanDerWaalsContact O-CA 3.27Å; A147-G171 WeakPolarHBondContact O-CA 3.42Å; T168-G171 PolarHBondContact O-N 3.43Å; T168-G171 PolarHBondContact OG1-N 3.31Å; T168-G171 VanDerWaalsContact OG1-N 3.11Å; I169-G171 VanDerWaalsContact C-N 3.31Å; I169-G171 PolarHBondContact O-N 3.04Å; G171-I173 VanDerWaalsContact C-N 3.28Å; G171-I173 PolarHBondContact O-N 3.42Å; G171-G174 CarbonylContact O-C 3.39Å; G171-G174 WeakPolarHBondContact O-CA 3.37Å; G171-G174 PolarHBondContact O-N 3.32Å; G171-G175 PolarHBondContact O-N 3.31Å
172F97.6Very high95.8Very high38 Ų3848 Ų4817%0.16726%0.255CS..Hα-helixtrans-51.8-47.2178.4169-89.6000112.7L159 T168 I169 G175 L176 L208 Q211L159-F172 HydrophobicContact CD1-CB 4.21Å; L159-F172 HydrophobicContact CD1-CG 4.31Å; L159-F172 HydrophobicContact CD2-CB 4.05Å; L159-F172 HydrophobicContact CD2-CD2 4.13Å; L159-F172 HydrophobicContact CD2-CG 4.36Å; T168-F172 PolarHBondContact O-N 3.1Å; I169-F172 WeakPolarHBondContact O-CB 3.4Å; I169-F172 PolarHBondContact O-N 3.2Å; F172-G175 PolarHBondContact O-N 2.91Å; F172-L176 HydrophobicContact CD1-CD1 4.31Å; F172-L176 HydrophobicContact CE1-CD1 3.73Å; F172-L176 HydrophobicContact CE1-CG 4.47Å; F172-L176 HydrophobicContact CZ-CD1 4.11Å; F172-L176 PolarHBondContact O-N 3.11Å; F172-L208 HydrophobicContact CE2-CD1 3.96Å; F172-L208 HydrophobicContact CZ-CD1 3.42Å; F172-L208 VanDerWaalsContact CZ-CD1 3.42Å; F172-Q211 VanDerWaalsContact CA-OE1 3.31Å; F172-Q211 HydrophobicContact CD2-CB 4.09Å; F172-Q211 VanDerWaalsContact CD2-CD 3.42Å; F172-Q211 HydrophobicContact CD2-CG 4.38Å; F172-Q211 HydrophobicContact CE2-CB 4.05Å; F172-Q211 PolarHBondContact O-NE2 2.83Å
173I98.1Very high96.1Very high75 Ų7542.2 Ų42.239%0.38522%0.22SC..Hα-helixtrans-64.5-44.1176.5-66172.2000111.2I169 G171 G175 L176 F177I169-I173 HydrophobicContact CG2-CD1 3.99Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 3.13Å; G171-I173 VanDerWaalsContact C-N 3.28Å; G171-I173 PolarHBondContact O-N 3.42Å; I173-G175 VanDerWaalsContact C-N 3.3Å; I173-G175 PolarHBondContact O-N 3.06Å; I173-L176 WeakPolarHBondContact O-CB 3.37Å; I173-L176 PolarHBondContact O-N 3.47Å; I173-F177 HydrophobicContact CG2-CD2 3.69Å; I173-F177 HydrophobicContact CG2-CE2 3.45Å; I173-F177 VanDerWaalsContact CG2-CE2 3.45Å; I173-F177 VanDerWaalsContact O-CD2 3.26Å; I173-F177 WeakPolarHBondContact O-CD2 3.31Å; I173-F177 PolarHBondContact O-N 2.97Å; I173-F177 VanDerWaalsContact O-N 3.13Å
174G98.1Very high96.3Very high4 Ų444.6 Ų44.64%0.04123%0.232CC..Hα-helixtrans-59.8-39.1176.200000113E170 G171 F177 C178E170-G174 PolarHBondContact O-N 3.46Å; G171-G174 CarbonylContact O-C 3.39Å; G171-G174 WeakPolarHBondContact O-CA 3.37Å; G171-G174 PolarHBondContact O-N 3.32Å; G174-F177 PolarHBondContact O-N 3.23Å; G174-C178 WeakPolarHBondContact O-CB 3.41Å; G174-C178 PolarHBondContact O-N 3.26Å; G174-C178 PolarHBondContact O-SG 3.45Å; G174-C178 VanDerWaalsContact O-SG 3.34Å
175G98.4Very high96.7Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-59.7-45.3173.500000112.7T143 G171 F172 I173 F177 C178 S179T143-G175 VanDerWaalsContact O-CA 3.29Å; T143-G175 WeakPolarHBondContact O-CA 3.42Å; G171-G175 PolarHBondContact O-N 3.31Å; F172-G175 PolarHBondContact O-N 2.91Å; I173-G175 VanDerWaalsContact C-N 3.3Å; I173-G175 PolarHBondContact O-N 3.06Å; G175-F177 PolarHBondContact O-N 3.41Å; G175-C178 PolarHBondContact O-N 2.97Å; G175-S179 PolarHBondContact O-N 2.86Å
176L98.5Very high97.1Very high31 Ų3143.6 Ų43.616%0.16223%0.228CC..Hα-helixtrans-58-48.9175.9-65.1176.6000111.3F172 I173 S179 L204 L208F172-L176 HydrophobicContact CD1-CD1 4.31Å; F172-L176 HydrophobicContact CE1-CD1 3.73Å; F172-L176 HydrophobicContact CE1-CG 4.47Å; F172-L176 HydrophobicContact CZ-CD1 4.11Å; F172-L176 PolarHBondContact O-N 3.11Å; I173-L176 WeakPolarHBondContact O-CB 3.37Å; I173-L176 PolarHBondContact O-N 3.47Å; L176-S179 WeakPolarHBondContact O-CB 3.46Å; L176-S179 PolarHBondContact O-N 3.22Å; L176-S179 PolarHBondContact O-OG 3.16Å; L176-L204 HydrophobicContact CB-CD2 4.21Å; L176-L208 HydrophobicContact CD2-CB 4.09Å
177F98Very high97.4Very high137 Ų13739.7 Ų39.760%0.60121%0.207SC*.Hα-helixtrans-68.1-39.1-179.6-74.8-65.6000113.1I173 G174 G175 S179 L180I173-F177 HydrophobicContact CG2-CD2 3.69Å; I173-F177 HydrophobicContact CG2-CE2 3.45Å; I173-F177 VanDerWaalsContact CG2-CE2 3.45Å; I173-F177 VanDerWaalsContact O-CD2 3.26Å; I173-F177 WeakPolarHBondContact O-CD2 3.31Å; I173-F177 PolarHBondContact O-N 2.97Å; I173-F177 VanDerWaalsContact O-N 3.13Å; G174-F177 PolarHBondContact O-N 3.23Å; G175-F177 PolarHBondContact O-N 3.41Å; F177-S179 VanDerWaalsContact C-N 3.26Å; F177-S179 PolarHBondContact O-N 3.06Å; F177-L180 HydrophobicContact CD1-CD1 4.17Å; F177-L180 WeakPolarHBondContact O-CB 3.41Å; F177-L180 PolarHBondContact O-N 3.27Å
178C98.2Very high97.4Very high22 Ų2247 Ų4715%0.14924%0.235CC..Hα-helixtrans-62.7-33.7175.1-74.50000112.4G146 G174 G175 L180 I181G146-C178 VanDerWaalsContact CA-SG 3.58Å; G174-C178 WeakPolarHBondContact O-CB 3.41Å; G174-C178 PolarHBondContact O-N 3.26Å; G174-C178 PolarHBondContact O-SG 3.45Å; G174-C178 VanDerWaalsContact O-SG 3.34Å; G175-C178 PolarHBondContact O-N 2.97Å; C178-L180 PolarHBondContact O-N 3.44Å; C178-I181 WeakPolarHBondContact O-CB 3.37Å; C178-I181 WeakPolarHBondContact O-CG1 3.42Å; C178-I181 PolarHBondContact O-N 3.38Å
179S98.3Very high97.2Very high0 Ų055 Ų550%027%0.269CS..Hα-helixtrans-61.6-28.7178.579.70000113.1T143 G175 L176 F177 I181 V182 P183 T203 S207T143-S179 WeakPolarHBondContact OG1-CB 3.48Å; G175-S179 PolarHBondContact O-N 2.86Å; L176-S179 WeakPolarHBondContact O-CB 3.46Å; L176-S179 PolarHBondContact O-N 3.22Å; L176-S179 PolarHBondContact O-OG 3.16Å; F177-S179 VanDerWaalsContact C-N 3.26Å; F177-S179 PolarHBondContact O-N 3.06Å; S179-I181 PolarHBondContact O-N 3.25Å; S179-I181 VanDerWaalsContact O-N 3.15Å; S179-V182 WeakPolarHBondContact O-CB 3.44Å; S179-V182 WeakPolarHBondContact O-CG2 3.32Å; S179-V182 PolarHBondContact O-N 3.05Å; S179-P183 WeakPolarHBondContact O-CD 3.44Å; S179-T203 WeakPolarHBondContact O-CG2 3.39Å; S179-S207 WeakPolarHBondContact OG-CB 3.17Å; S179-S207 PolarHBondContact OG-OG 3.38Å
180L98.3Very high97.1Very high38 Ų3853.2 Ų53.220%0.19926%0.261CS..THydrogen-bonded Turntrans-64.4-18.6179.1-63.2-179.9000113.7F177 C178 V182 P183 L184 L200 T203 L204F177-L180 HydrophobicContact CD1-CD1 4.17Å; F177-L180 WeakPolarHBondContact O-CB 3.41Å; F177-L180 PolarHBondContact O-N 3.27Å; C178-L180 PolarHBondContact O-N 3.44Å; L180-V182 PolarHBondContact O-N 3.46Å; L180-P183 WeakPolarHBondContact O-CD 3.33Å; L180-P183 WeakPolarHBondContact O-CG 3.32Å; L180-L184 WeakPolarHBondContact O-CG 3.35Å; L180-L200 HydrophobicContact CB-CD2 4.43Å; L180-L200 HydrophobicContact CD2-CB 4.43Å; L180-L200 HydrophobicContact CD2-CD2 3.92Å; L180-T203 HydrophobicContact CD2-CG2 4.4Å; L180-L204 HydrophobicContact CD1-CD2 4.31Å; L180-L204 HydrophobicContact CD2-CD1 4.38Å; L180-L204 HydrophobicContact CD2-CD2 3.65Å; L180-L204 HydrophobicContact CD2-CG 3.73Å; L180-L204 HydrophobicContact CG-CD2 4.02Å
181I97.8Very high96.7Very high101 Ų10156.5 Ų56.552%0.51828%0.28SS..Hα-helixtrans-64.7-31.6174.5-60.9171.7000110.4C178 S179 L184 A185C178-I181 WeakPolarHBondContact O-CB 3.37Å; C178-I181 WeakPolarHBondContact O-CG1 3.42Å; C178-I181 PolarHBondContact O-N 3.38Å; S179-I181 PolarHBondContact O-N 3.25Å; S179-I181 VanDerWaalsContact O-N 3.15Å; I181-L184 PolarHBondContact O-N 3.23Å; I181-A185 VanDerWaalsContact O-CB 3.31Å; I181-A185 WeakPolarHBondContact O-CB 3.41Å; I181-A185 PolarHBondContact O-N 3.37Å
182V98Very high96.3Very high7 Ų756.6 Ų56.64%0.04228%0.28CS..Hα-helixtrans-62-58.2-175-179.30000112.8Y135 L138 I139 L142 S179 L180 L184 A185 M186Y135-V182 HydrophobicContact CD2-CG1 3.71Å; Y135-V182 HydrophobicContact CE2-CG1 3.93Å; L138-V182 HydrophobicContact CB-CB 4.43Å; L138-V182 HydrophobicContact CB-CG1 3.57Å; L138-V182 HydrophobicContact CB-CG2 3.95Å; L138-V182 HydrophobicContact CD1-CG1 4.35Å; I139-V182 HydrophobicContact CG1-CB 4.21Å; I139-V182 HydrophobicContact CG1-CG1 4.06Å; I139-V182 HydrophobicContact CG1-CG2 4.42Å; L142-V182 HydrophobicContact CB-CG2 4.03Å; L142-V182 HydrophobicContact CD2-CG2 4.49Å; L142-V182 HydrophobicContact CG-CG2 3.95Å; S179-V182 WeakPolarHBondContact O-CB 3.44Å; S179-V182 WeakPolarHBondContact O-CG2 3.32Å; S179-V182 PolarHBondContact O-N 3.05Å; L180-V182 PolarHBondContact O-N 3.46Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 3.37Å; V182-A185 PolarHBondContact O-N 2.91Å; V182-M186 HydrophobicContact CG1-CG 4.36Å; V182-M186 HydrophobicContact CG1-SD 4.02Å; V182-M186 WeakPolarHBondContact O-CB 3.37Å; V182-M186 WeakPolarHBondContact O-CG 3.34Å; V182-M186 PolarHBondContact O-N 3.22Å
183P97.1Very high95.9Very high0 Ų061.5 Ų61.50%031%0.308CS..Hα-helixtrans-60.8-39.5178.326-37.8000112Y135 S179 L180 A185 M186 L187 L199 L200 T203Y135-P183 HydrophobicContact CE2-CB 4.11Å; S179-P183 WeakPolarHBondContact O-CD 3.44Å; L180-P183 WeakPolarHBondContact O-CD 3.33Å; L180-P183 WeakPolarHBondContact O-CG 3.32Å; P183-A185 VanDerWaalsContact C-N 3.31Å; P183-A185 PolarHBondContact O-N 3.35Å; P183-M186 PolarHBondContact O-N 3.34Å; P183-L187 WeakPolarHBondContact O-CB 3.5Å; P183-L187 VanDerWaalsContact O-CG 3.23Å; P183-L187 WeakPolarHBondContact O-CG 3.46Å; P183-L187 PolarHBondContact O-N 2.74Å; P183-L199 HydrophobicContact CB-CD2 3.66Å; P183-L199 HydrophobicContact CB-CG 3.82Å; P183-L200 HydrophobicContact CG-CD2 3.72Å; P183-T203 HydrophobicContact CG-CG2 4.15Å; P183-T203 WeakPolarHBondContact CG-OG1 3.28Å
184L96.1Very high95.4Very high89 Ų8960.1 Ų60.147%0.46630%0.3SS..Hα-helixtrans-62.2-38.7178.8-64.6176.7000112L180 I181 V182 Y188 L200L180-L184 WeakPolarHBondContact O-CG 3.35Å; I181-L184 PolarHBondContact O-N 3.23Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 3.37Å; L184-Y188 WeakPolarHBondContact O-CD2 3.31Å; L184-Y188 WeakPolarHBondContact O-CE2 3.28Å; L184-L200 HydrophobicContact CD2-CD2 4.32Å; L184-L200 HydrophobicContact CG-CD2 4.31Å
185A96.2Very high95.2Very high46 Ų4664.2 Ų64.238%0.3832%0.321SS..Hα-helixtrans-75.5-39.1176.300000112.6I181 V182 P183 F189I181-A185 VanDerWaalsContact O-CB 3.31Å; I181-A185 WeakPolarHBondContact O-CB 3.41Å; I181-A185 PolarHBondContact O-N 3.37Å; V182-A185 PolarHBondContact O-N 2.91Å; P183-A185 VanDerWaalsContact C-N 3.31Å; P183-A185 PolarHBondContact O-N 3.35Å; A185-F189 WeakPolarHBondContact O-CD2 3.2Å
186M96.5Very high95Very high21 Ų2166.8 Ų66.810%0.10334%0.337CS..Hα-helixtrans-75.2-29-176-72.5-165.267.800113.7H131 Y135 L138 V182 P183 Y188 F189 V190 F192H131-M186 HydrophobicContact CB-CE 4.4Å; Y135-M186 HydrophobicContact CD2-SD 3.65Å; Y135-M186 HydrophobicContact CG-SD 4.3Å; L138-M186 HydrophobicContact CD1-CG 4.27Å; L138-M186 HydrophobicContact CD1-SD 3.67Å; V182-M186 HydrophobicContact CG1-CG 4.36Å; V182-M186 HydrophobicContact CG1-SD 4.02Å; V182-M186 WeakPolarHBondContact O-CB 3.37Å; V182-M186 WeakPolarHBondContact O-CG 3.34Å; V182-M186 PolarHBondContact O-N 3.22Å; P183-M186 PolarHBondContact O-N 3.34Å; M186-Y188 PolarHBondContact O-N 2.96Å; M186-Y188 VanDerWaalsContact O-N 3.1Å; M186-F189 PolarHBondContact O-N 2.85Å; M186-V190 PolarHBondContact O-N 3.34Å; M186-F192 HydrophobicContact CB-CE2 4.07Å; M186-F192 HydrophobicContact CE-CZ 4.12Å
187L95.4Very high94.9Very high58 Ų5874.7 Ų74.730%0.30437%0.365SS..THydrogen-bonded Turntrans-60.2-18.8177.4-78.9169.1000114P183 F189 V190 F192 V196 L199P183-L187 WeakPolarHBondContact O-CB 3.5Å; P183-L187 VanDerWaalsContact O-CG 3.23Å; P183-L187 WeakPolarHBondContact O-CG 3.46Å; P183-L187 PolarHBondContact O-N 2.74Å; L187-F189 VanDerWaalsContact C-N 3.29Å; L187-V190 WeakPolarHBondContact CA-O 3.1Å; L187-F192 HydrophobicContact CD2-CD2 4.25Å; L187-V196 HydrophobicContact CD1-CB 4.37Å; L187-V196 HydrophobicContact CD1-CG2 3.78Å; L187-L199 HydrophobicContact CD1-CD2 4.07Å; L187-L199 HydrophobicContact CD2-CD2 3.95Å; L187-L199 HydrophobicContact CG-CD2 3.98Å
188Y94Very high94.8Very high195 Ų19573 Ų7377%0.76536%0.36SS*.THydrogen-bonded Turntrans-73.6-20.4172.9-68.1-78.7000113.6L184 M186L184-Y188 WeakPolarHBondContact O-CD2 3.31Å; L184-Y188 WeakPolarHBondContact O-CE2 3.28Å; M186-Y188 PolarHBondContact O-N 2.96Å; M186-Y188 VanDerWaalsContact O-N 3.1Å
189F93.8Very high94.7Very high179 Ų17971.9 Ų71.979%0.78535%0.353SS*.THydrogen-bonded Turntrans-118.1-22.9-173.1-56.4-76.6000113.1A185 M186 L187A185-F189 WeakPolarHBondContact O-CD2 3.2Å; M186-F189 PolarHBondContact O-N 2.85Å; L187-F189 VanDerWaalsContact C-N 3.29Å
190V93.6Very high94.7Very high33 Ų3373.2 Ų73.220%0.236%0.36CS..  trans-140.8129.8-172.4-177.30000109.3H131 M186 L187 F192H131-V190 HydrophobicContact CB-CB 4.49Å; H131-V190 HydrophobicContact CB-CG1 3.88Å; H131-V190 HydrophobicContact CB-CG2 3.87Å; M186-V190 PolarHBondContact O-N 3.34Å; L187-V190 WeakPolarHBondContact CA-O 3.1Å; V190-F192 HydrophobicContact CB-CE2 4.32Å; V190-F192 HydrophobicContact CG1-CD2 4.44Å; V190-F192 HydrophobicContact CG1-CE2 4.24Å; V190-F192 HydrophobicContact CG1-CZ 4.37Å
191D90.9Very high94.6Very high111 Ų11172.9 Ų72.959%0.59437%0.366SS*.  trans-90118.2168.1-168.1-7.2000109.7N193D191-N193 VanDerWaalsContact C-N 3.27Å; D191-N193 WeakPolarHBondContact OD1-CA 3.12Å; D191-N193 PolarHBondContact OD1-N 3.1Å
192F89.8Confident94.6Very high3 Ų368.6 Ų68.61%0.01334%0.344CS..  trans-85.62.5175.9-74-84.2000112.7H131 Y132 Y135 M186 L187 V190 M194 L199 L257H131-F192 AromaticContact CD2-CE1 3.98Å; Y132-F192 HydrophobicContact CD1-CD1 4.27Å; Y132-F192 AromaticContact CD1-CE1 3.96Å; Y132-F192 HydrophobicContact CD1-CE1 3.96Å; Y132-F192 AromaticContact CE1-CD1 3.82Å; Y132-F192 HydrophobicContact CE1-CD1 3.82Å; Y132-F192 AromaticContact CE1-CE1 3.98Å; Y132-F192 HydrophobicContact CE1-CE1 3.98Å; Y135-F192 AromaticContact CD2-CZ 3.92Å; Y135-F192 HydrophobicContact CD2-CZ 3.92Å; Y135-F192 HydrophobicContact CE2-CZ 4.4Å; Y135-F192 HydrophobicContact CG-CE1 4.31Å; Y135-F192 HydrophobicContact CG-CZ 4.01Å; M186-F192 HydrophobicContact CB-CE2 4.07Å; M186-F192 HydrophobicContact CE-CZ 4.12Å; L187-F192 HydrophobicContact CD2-CD2 4.25Å; V190-F192 HydrophobicContact CB-CE2 4.32Å; V190-F192 HydrophobicContact CG1-CD2 4.44Å; V190-F192 HydrophobicContact CG1-CE2 4.24Å; V190-F192 HydrophobicContact CG1-CZ 4.37Å; F192-M194 HydrophobicContact CB-CE 4.28Å; F192-M194 VanDerWaalsContact O-CE 3.24Å; F192-M194 WeakPolarHBondContact O-CE 3.33Å; F192-M194 PolarHBondContact O-N 3.05Å; F192-L199 HydrophobicContact CB-CD1 4.41Å; F192-L199 HydrophobicContact CB-CD2 4.44Å; F192-L199 HydrophobicContact CD2-CD2 3.86Å; F192-L199 HydrophobicContact CE2-CD2 4.45Å; F192-L199 HydrophobicContact CG-CD1 4.27Å; F192-L199 HydrophobicContact CG-CD2 4.3Å; F192-L257 HydrophobicContact CD1-CD2 4.04Å; F192-L257 HydrophobicContact CE1-CD2 4.1Å
193N89.1Confident94.6Very high142 Ų14268.2 Ų68.276%0.75934%0.342SS*.SBendtrans52.833.4-175.1-64.9-61.1000113.1D191D191-N193 VanDerWaalsContact C-N 3.27Å; D191-N193 WeakPolarHBondContact OD1-CA 3.12Å; D191-N193 PolarHBondContact OD1-N 3.1Å
194M87.8Confident94.7Very high46 Ų4671.5 Ų71.523%0.22736%0.36CS..SBendtrans-132.6147.5-176.7-94.7175.1-84.500111.4F192 V196 L257F192-M194 HydrophobicContact CB-CE 4.28Å; F192-M194 VanDerWaalsContact O-CE 3.24Å; F192-M194 WeakPolarHBondContact O-CE 3.33Å; F192-M194 PolarHBondContact O-N 3.05Å; M194-V196 PolarHBondContact O-N 2.86Å; M194-L257 HydrophobicContact CE-CB 4.44Å; M194-L257 HydrophobicContact CE-CD1 3.08Å; M194-L257 HydrophobicContact CE-CG 3.56Å; M194-L257 HydrophobicContact SD-CD1 3.6Å; M194-L257 VanDerWaalsContact SD-CD1 3.6Å
195N93.1Very high94.8Very high89 Ų8970.6 Ų70.648%0.47635%0.354SS..  trans-59.7133.7170.6-175.3-71.6000109.8W197 I198 L199N195-W197 PolarHBondContact O-N 3.43Å; N195-W197 VanDerWaalsContact O-N 3.14Å; N195-W197 VanDerWaalsContact OD1-CB 3.32Å; N195-W197 WeakPolarHBondContact OD1-CB 3.25Å; N195-W197 VanDerWaalsContact OD1-CD1 3.23Å; N195-W197 PolarHBondContact OD1-N 3.35Å; N195-I198 HydrophobicContact CB-CB 4.48Å; N195-I198 HydrophobicContact CB-CD1 4.01Å; N195-I198 HydrophobicContact CB-CG1 4.12Å; N195-I198 WeakPolarHBondContact O-CB 3.36Å; N195-I198 PolarHBondContact O-N 2.71Å; N195-L199 PolarHBondContact O-N 2.95Å
196V94.7Very high94.9Very high54 Ų5468.4 Ų68.433%0.32734%0.336SS..Hα-helixtrans-53.7-36.8-17864.40000113L187 M194 I198 L199 L200L187-V196 HydrophobicContact CD1-CB 4.37Å; L187-V196 HydrophobicContact CD1-CG2 3.78Å; M194-V196 PolarHBondContact O-N 2.86Å; V196-I198 PolarHBondContact O-N 2.99Å; V196-L199 PolarHBondContact O-N 3.39Å; V196-L200 HydrophobicContact CG2-CD1 4.23Å; V196-L200 HydrophobicContact CG2-CG 4.41Å; V196-L200 VanDerWaalsContact O-CG 3.24Å; V196-L200 WeakPolarHBondContact O-CG 3.36Å; V196-L200 PolarHBondContact O-N 2.83Å
197W95.9Very high95Very high198 Ų19867.4 Ų67.475%0.7533%0.332SS*.Hα-helixtrans-67.8-36178.7-60.3113.3000112.5N195 L200 G201N195-W197 PolarHBondContact O-N 3.43Å; N195-W197 VanDerWaalsContact O-N 3.14Å; N195-W197 VanDerWaalsContact OD1-CB 3.32Å; N195-W197 WeakPolarHBondContact OD1-CB 3.25Å; N195-W197 VanDerWaalsContact OD1-CD1 3.23Å; N195-W197 PolarHBondContact OD1-N 3.35Å; W197-L200 HydrophobicContact CE3-CD1 3.96Å; W197-L200 HydrophobicContact CZ3-CD1 4.2Å; W197-G201 PolarHBondContact O-N 3.13Å
198I95.6Very high95.1Very high100 Ų10067.6 Ų67.651%0.51333%0.333SS..Hα-helixtrans-68.1-45174.2-61.3175.9000109.4N195 V196 L200 G201 V202N195-I198 HydrophobicContact CB-CB 4.48Å; N195-I198 HydrophobicContact CB-CD1 4.01Å; N195-I198 HydrophobicContact CB-CG1 4.12Å; N195-I198 WeakPolarHBondContact O-CB 3.36Å; N195-I198 PolarHBondContact O-N 2.71Å; V196-I198 PolarHBondContact O-N 2.99Å; I198-L200 VanDerWaalsContact C-N 3.33Å; I198-L200 PolarHBondContact O-N 3.07Å; I198-G201 WeakPolarHBondContact O-CA 3.42Å; I198-G201 PolarHBondContact O-N 3.48Å; I198-G201 VanDerWaalsContact O-N 3.1Å; I198-V202 HydrophobicContact CG2-CG2 4.39Å; I198-V202 WeakPolarHBondContact O-CG2 3.17Å; I198-V202 PolarHBondContact O-N 3.37Å
199L96.3Very high95.3Very high0 Ų061.7 Ų61.70%031%0.311CS..Hα-helixtrans-61.5-40.8178.9-17265.9000112.1Y135 P183 L187 F192 N195 V196 V202 T203 L257Y135-L199 HydrophobicContact CE1-CD1 4.42Å; Y135-L199 VanDerWaalsContact OH-CD1 3.29Å; Y135-L199 WeakPolarHBondContact OH-CD1 3.32Å; P183-L199 HydrophobicContact CB-CD2 3.66Å; P183-L199 HydrophobicContact CB-CG 3.82Å; L187-L199 HydrophobicContact CD1-CD2 4.07Å; L187-L199 HydrophobicContact CD2-CD2 3.95Å; L187-L199 HydrophobicContact CG-CD2 3.98Å; F192-L199 HydrophobicContact CB-CD1 4.41Å; F192-L199 HydrophobicContact CB-CD2 4.44Å; F192-L199 HydrophobicContact CD2-CD2 3.86Å; F192-L199 HydrophobicContact CE2-CD2 4.45Å; F192-L199 HydrophobicContact CG-CD1 4.27Å; F192-L199 HydrophobicContact CG-CD2 4.3Å; N195-L199 PolarHBondContact O-N 2.95Å; V196-L199 PolarHBondContact O-N 3.39Å; L199-V202 PolarHBondContact O-N 3.19Å; L199-T203 PolarHBondContact O-N 3.11Å; L199-T203 PolarHBondContact O-OG1 2.81Å; L199-L257 HydrophobicContact CD1-CD1 3.63Å
200L97.7Very high95.5Very high27 Ų2753.3 Ų53.314%0.14128%0.275CS..Hα-helixtrans-62.3-42.8172.9-69.1169.6000111.5L180 P183 L184 V196 W197 I198 T203 L204L180-L200 HydrophobicContact CB-CD2 4.43Å; L180-L200 HydrophobicContact CD2-CB 4.43Å; L180-L200 HydrophobicContact CD2-CD2 3.92Å; P183-L200 HydrophobicContact CG-CD2 3.72Å; L184-L200 HydrophobicContact CD2-CD2 4.32Å; L184-L200 HydrophobicContact CG-CD2 4.31Å; V196-L200 HydrophobicContact CG2-CD1 4.23Å; V196-L200 HydrophobicContact CG2-CG 4.41Å; V196-L200 VanDerWaalsContact O-CG 3.24Å; V196-L200 WeakPolarHBondContact O-CG 3.36Å; V196-L200 PolarHBondContact O-N 2.83Å; W197-L200 HydrophobicContact CE3-CD1 3.96Å; W197-L200 HydrophobicContact CZ3-CD1 4.2Å; I198-L200 VanDerWaalsContact C-N 3.33Å; I198-L200 PolarHBondContact O-N 3.07Å; L200-T203 WeakPolarHBondContact O-CB 3.37Å; L200-T203 PolarHBondContact O-N 3.32Å; L200-L204 PolarHBondContact O-N 3.49Å
201G97.7Very high95.7Very high31 Ų3152 Ų5232%0.3227%0.266SS..Hα-helixtrans-60.2-47.1174.400000112.8W197 I198 T203 L204 I205W197-G201 PolarHBondContact O-N 3.13Å; I198-G201 WeakPolarHBondContact O-CA 3.42Å; I198-G201 PolarHBondContact O-N 3.48Å; I198-G201 VanDerWaalsContact O-N 3.1Å; G201-T203 VanDerWaalsContact C-N 3.31Å; G201-T203 PolarHBondContact O-N 3.29Å; G201-L204 PolarHBondContact O-N 2.95Å; G201-I205 WeakPolarHBondContact O-CG1 3.23Å; G201-I205 PolarHBondContact O-N 2.88Å; G201-I205 VanDerWaalsContact O-N 3.12Å
202V97.1Very high96Very high11 Ų1149.7 Ų49.77%0.06725%0.254CS..Hα-helixtrans-59.6-42.7174.6172.80000110.6I198 L199 L204 I205 L206 L256 L257I198-V202 HydrophobicContact CG2-CG2 4.39Å; I198-V202 WeakPolarHBondContact O-CG2 3.17Å; I198-V202 PolarHBondContact O-N 3.37Å; L199-V202 PolarHBondContact O-N 3.19Å; V202-L204 VanDerWaalsContact C-N 3.35Å; V202-L204 PolarHBondContact O-N 3.34Å; V202-I205 PolarHBondContact O-N 3Å; V202-L206 HydrophobicContact CG1-CD1 3.95Å; V202-L206 HydrophobicContact CG1-CG 4.13Å; V202-L206 WeakPolarHBondContact O-CG 3.36Å; V202-L206 PolarHBondContact O-N 2.86Å; V202-L256 HydrophobicContact CG1-CB 4.12Å; V202-L256 HydrophobicContact CG1-CD1 4.34Å; V202-L256 HydrophobicContact CG2-CB 4.25Å; V202-L257 HydrophobicContact CG1-CD1 4.26Å
203T98.4Very high96.4Very high0 Ų049.5 Ų49.50%025%0.253CS..Hα-helixtrans-57.2-46.4177.4-53.70000112Y135 I139 S179 L180 P183 L199 L200 G201 I205 L206 S207Y135-T203 PolarHBondContact OH-OG1 3.39Å; I139-T203 HydrophobicContact CD1-CG2 3.97Å; I139-T203 HydrophobicContact CG1-CG2 4.1Å; S179-T203 WeakPolarHBondContact O-CG2 3.39Å; L180-T203 HydrophobicContact CD2-CG2 4.4Å; P183-T203 HydrophobicContact CG-CG2 4.15Å; P183-T203 WeakPolarHBondContact CG-OG1 3.28Å; L199-T203 PolarHBondContact O-N 3.11Å; L199-T203 PolarHBondContact O-OG1 2.81Å; L200-T203 WeakPolarHBondContact O-CB 3.37Å; L200-T203 PolarHBondContact O-N 3.32Å; G201-T203 VanDerWaalsContact C-N 3.31Å; G201-T203 PolarHBondContact O-N 3.29Å; T203-I205 VanDerWaalsContact C-N 3.32Å; T203-I205 PolarHBondContact O-N 3.23Å; T203-L206 PolarHBondContact O-N 3.39Å; T203-S207 WeakPolarHBondContact O-CB 3.28Å; T203-S207 PolarHBondContact O-N 3.34Å
204L98.4Very high96.7Very high69 Ų6944 Ų4436%0.36122%0.224SC..Hα-helixtrans-63.3-40.3178.5-70.8175.6000111.7L176 L180 L200 G201 V202 S207 L208L176-L204 HydrophobicContact CB-CD2 4.21Å; L180-L204 HydrophobicContact CD1-CD2 4.31Å; L180-L204 HydrophobicContact CD2-CD1 4.38Å; L180-L204 HydrophobicContact CD2-CD2 3.65Å; L180-L204 HydrophobicContact CD2-CG 3.73Å; L180-L204 HydrophobicContact CG-CD2 4.02Å; L200-L204 PolarHBondContact O-N 3.49Å; G201-L204 PolarHBondContact O-N 2.95Å; V202-L204 VanDerWaalsContact C-N 3.35Å; V202-L204 PolarHBondContact O-N 3.34Å; L204-S207 PolarHBondContact O-N 3.38Å; L204-L208 WeakPolarHBondContact O-CB 3.41Å; L204-L208 PolarHBondContact O-N 3.27Å
205I98.4Very high97.1Very high69 Ų6942.8 Ų42.835%0.35422%0.218SC..Hα-helixtrans-62.7-48.5175.3-65.2169000109.9G201 V202 T203 S207 L208 F209 L256G201-I205 WeakPolarHBondContact O-CG1 3.23Å; G201-I205 PolarHBondContact O-N 2.88Å; G201-I205 VanDerWaalsContact O-N 3.12Å; V202-I205 PolarHBondContact O-N 3Å; T203-I205 VanDerWaalsContact C-N 3.32Å; T203-I205 PolarHBondContact O-N 3.23Å; I205-S207 PolarHBondContact O-N 2.88Å; I205-L208 WeakPolarHBondContact O-CB 3.3Å; I205-L208 PolarHBondContact O-N 3.49Å; I205-F209 HydrophobicContact CG2-CD2 3.87Å; I205-F209 HydrophobicContact CG2-CE2 4.08Å; I205-F209 WeakPolarHBondContact O-CD2 3.42Å; I205-F209 PolarHBondContact O-N 2.93Å; I205-L256 HydrophobicContact CB-CD1 4.36Å; I205-L256 HydrophobicContact CD1-CD1 4.44Å; I205-L256 HydrophobicContact CG2-CD1 3.83Å
206L98.6Very high97.2Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-61.7-42.9178.6-65.6-179.7000112Y135 I139 V202 T203 F209 G210 V249 L252 L253Y135-L206 HydrophobicContact CE1-CD1 4.07Å; I139-L206 HydrophobicContact CD1-CB 4.2Å; I139-L206 HydrophobicContact CD1-CD1 3.78Å; I139-L206 HydrophobicContact CG2-CB 4.2Å; V202-L206 HydrophobicContact CG1-CD1 3.95Å; V202-L206 HydrophobicContact CG1-CG 4.13Å; V202-L206 WeakPolarHBondContact O-CG 3.36Å; V202-L206 PolarHBondContact O-N 2.86Å; T203-L206 PolarHBondContact O-N 3.39Å; L206-F209 PolarHBondContact O-N 3.39Å; L206-G210 PolarHBondContact O-N 3.02Å; L206-V249 HydrophobicContact CB-CG1 4.49Å; L206-V249 HydrophobicContact CD2-CG1 4.41Å; L206-V249 WeakPolarHBondContact O-CG2 3.34Å; L206-L252 HydrophobicContact CD2-CB 3.65Å; L206-L253 HydrophobicContact CD1-CB 4.12Å; L206-L253 HydrophobicContact CD1-CD1 4.26Å; L206-L253 HydrophobicContact CD1-CG 4.3Å; L206-L253 HydrophobicContact CD2-CB 4.08Å
207S98.6Very high97.3Very high1 Ų139.3 Ų39.31%0.00720%0.2CC..Hα-helixtrans-63.6-44176.8-176.70000111.9T143 S179 T203 L204 I205 G210 Q211T143-S207 WeakPolarHBondContact CG2-OG 3.39Å; T143-S207 WeakPolarHBondContact OG1-CB 3.28Å; T143-S207 PolarHBondContact OG1-OG 3.47Å; S179-S207 WeakPolarHBondContact OG-CB 3.17Å; S179-S207 PolarHBondContact OG-OG 3.38Å; T203-S207 WeakPolarHBondContact O-CB 3.28Å; T203-S207 PolarHBondContact O-N 3.34Å; L204-S207 PolarHBondContact O-N 3.38Å; I205-S207 PolarHBondContact O-N 2.88Å; S207-G210 PolarHBondContact O-N 3.13Å; S207-Q211 WeakPolarHBondContact O-CG 3.48Å; S207-Q211 PolarHBondContact O-N 3.48Å; S207-Q211 VanDerWaalsContact O-N 3.1Å
208L98.3Very high97.2Very high62 Ų6230.3 Ų30.333%0.32517%0.167SC..Hα-helixtrans-57.1-53.1174.517266.1000111.1F172 L176 L204 I205 Q211 L212F172-L208 HydrophobicContact CE2-CD1 3.96Å; F172-L208 HydrophobicContact CZ-CD1 3.42Å; F172-L208 VanDerWaalsContact CZ-CD1 3.42Å; L176-L208 HydrophobicContact CD2-CB 4.09Å; L204-L208 WeakPolarHBondContact O-CB 3.41Å; L204-L208 PolarHBondContact O-N 3.27Å; I205-L208 WeakPolarHBondContact O-CB 3.3Å; I205-L208 PolarHBondContact O-N 3.49Å; L208-Q211 PolarHBondContact O-N 3.4Å; L208-L212 HydrophobicContact CD1-CD1 4.46Å; L208-L212 HydrophobicContact CG-CD1 4.26Å; L208-L212 WeakPolarHBondContact O-CG 3.5Å; L208-L212 PolarHBondContact O-N 3.38Å
209F98.2Very high97.2Very high71 Ų7126.6 Ų26.631%0.31115%0.153SC..Hα-helixtrans-73.5-26-176.9-83-98000113.3I205 L206 L212 G213 F248 L252I205-F209 HydrophobicContact CG2-CD2 3.87Å; I205-F209 HydrophobicContact CG2-CE2 4.08Å; I205-F209 WeakPolarHBondContact O-CD2 3.42Å; I205-F209 PolarHBondContact O-N 2.93Å; L206-F209 PolarHBondContact O-N 3.39Å; F209-L212 HydrophobicContact CD1-CD1 4.16Å; F209-L212 HydrophobicContact CE1-CD1 4.36Å; F209-L212 HydrophobicContact CG-CD1 4.3Å; F209-L212 PolarHBondContact O-N 3.45Å; F209-G213 PolarHBondContact O-N 2.99Å; F209-F248 HydrophobicContact CB-CB 4.39Å; F209-F248 HydrophobicContact CB-CD1 4.44Å; F209-F248 AromaticContact CD1-CD1 3.9Å; F209-F248 HydrophobicContact CD1-CD1 3.9Å; F209-F248 HydrophobicContact CD1-CE1 4.44Å; F209-F248 WeakPolarHBondContact O-CB 3.47Å; F209-L252 HydrophobicContact CB-CD1 3.31Å; F209-L252 HydrophobicContact CD1-CD1 3.5Å; F209-L252 VanDerWaalsContact CD1-CD1 3.5Å; F209-L252 HydrophobicContact CD2-CD1 3.82Å; F209-L252 HydrophobicContact CE1-CD1 4.21Å; F209-L252 HydrophobicContact CE2-CD1 4.48Å; F209-L252 HydrophobicContact CG-CD1 3.26Å
210G98.3Very high97Very high3 Ų328.2 Ų28.23%0.03116%0.16CC..Hα-helixtrans-61.1-4916800000111.4L206 S207 L212 G213 D214 S245 V249L206-G210 PolarHBondContact O-N 3.02Å; S207-G210 PolarHBondContact O-N 3.13Å; G210-L212 VanDerWaalsContact C-N 3.31Å; G210-L212 PolarHBondContact O-N 3.2Å; G210-G213 PolarHBondContact O-N 3.32Å; G210-G213 VanDerWaalsContact O-N 3.11Å; G210-D214 PolarHBondContact O-N 2.91Å; G210-S245 WeakPolarHBondContact O-CB 3.34Å; G210-S245 PolarHBondContact O-OG 3.22Å; G210-V249 VanDerWaalsContact CA-CG2 3.48Å
211Q97.9Very high96.8Very high4 Ų427.5 Ų27.52%0.01916%0.156CC..Hα-helixtrans-64.3-35.9175.7-66.2-169.668.200112.7T143 F172 S207 L208 L215T143-Q211 HydrophobicContact CG2-CG 3.47Å; T143-Q211 VanDerWaalsContact CG2-CG 3.47Å; F172-Q211 VanDerWaalsContact CA-OE1 3.31Å; F172-Q211 HydrophobicContact CD2-CB 4.09Å; F172-Q211 VanDerWaalsContact CD2-CD 3.42Å; F172-Q211 HydrophobicContact CD2-CG 4.38Å; F172-Q211 HydrophobicContact CE2-CB 4.05Å; F172-Q211 PolarHBondContact O-NE2 2.83Å; S207-Q211 WeakPolarHBondContact O-CG 3.48Å; S207-Q211 PolarHBondContact O-N 3.48Å; S207-Q211 VanDerWaalsContact O-N 3.1Å; L208-Q211 PolarHBondContact O-N 3.4Å; Q211-L215 VanDerWaalsContact O-CG 3.32Å; Q211-L215 WeakPolarHBondContact O-CG 3.3Å; Q211-L215 PolarHBondContact O-N 2.6Å; Q211-L215 VanDerWaalsContact O-N 3.11Å
212L96.7Very high96.7Very high63 Ų6330.6 Ų30.633%0.3316%0.158SC..Hα-helixtrans-64.5-39.3172.2-69.7173.9000111.7L208 F209 G210 L215 V216 F248L208-L212 HydrophobicContact CD1-CD1 4.46Å; L208-L212 HydrophobicContact CG-CD1 4.26Å; L208-L212 WeakPolarHBondContact O-CG 3.5Å; L208-L212 PolarHBondContact O-N 3.38Å; F209-L212 HydrophobicContact CD1-CD1 4.16Å; F209-L212 HydrophobicContact CE1-CD1 4.36Å; F209-L212 HydrophobicContact CG-CD1 4.3Å; F209-L212 PolarHBondContact O-N 3.45Å; G210-L212 VanDerWaalsContact C-N 3.31Å; G210-L212 PolarHBondContact O-N 3.2Å; L212-L215 PolarHBondContact O-N 3.34Å; L212-V216 WeakPolarHBondContact O-CB 3.34Å; L212-V216 VanDerWaalsContact O-CG2 3.29Å; L212-V216 WeakPolarHBondContact O-CG2 3.34Å; L212-V216 PolarHBondContact O-N 3.4Å; L212-F248 HydrophobicContact CB-CD1 4.47Å
213G96.9Very high96.6Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-56.4-51.7175.600000112.4F209 G210 L215 V216 E217F209-G213 PolarHBondContact O-N 2.99Å; G210-G213 PolarHBondContact O-N 3.32Å; G210-G213 VanDerWaalsContact O-N 3.11Å; G213-L215 VanDerWaalsContact C-N 3.32Å; G213-L215 PolarHBondContact O-N 2.99Å; G213-V216 PolarHBondContact O-N 3.12Å; G213-E217 PolarHBondContact O-N 3.29Å
214D96Very high96.4Very high27 Ų2739.4 Ų39.414%0.14420%0.198CC..Hα-helixtrans-60.7-38.8174.7176.911.2000112K167 G210 E217 S218K167-D214 WeakPolarHBondContact CE-OD2 3.34Å; K167-D214 VanDerWaalsContact NZ-CG 3.27Å; K167-D214 IonicContact NZ-OD2 2.56Å; K167-D214 PolarHBondContact NZ-OD2 3.43Å; G210-D214 PolarHBondContact O-N 2.91Å; D214-E217 PolarHBondContact O-N 2.85Å; D214-S218 VanDerWaalsContact O-CB 3.29Å; D214-S218 WeakPolarHBondContact O-CB 3.47Å; D214-S218 PolarHBondContact O-N 3.31Å; D214-S218 PolarHBondContact O-OG 3.45Å; D214-S218 VanDerWaalsContact O-OG 3.05Å; D214-S218 PolarHBondContact OD1-OG 2.96Å
215L95.9Very high96.1Very high20 Ų2039.4 Ų39.411%0.10521%0.214CC..Hα-helixtrans-66.5-43.1175.8-72.7174.5000113L159 I163 K167 Q211 L212 G213 E217 S218 G219L159-L215 HydrophobicContact CD2-CD1 3.91Å; L159-L215 HydrophobicContact CD2-CD2 4.49Å; I163-L215 WeakPolarHBondContact CG2-O 3.4Å; K167-L215 HydrophobicContact CD-CD2 3.85Å; Q211-L215 VanDerWaalsContact O-CG 3.32Å; Q211-L215 WeakPolarHBondContact O-CG 3.3Å; Q211-L215 PolarHBondContact O-N 2.6Å; Q211-L215 VanDerWaalsContact O-N 3.11Å; L212-L215 PolarHBondContact O-N 3.34Å; G213-L215 VanDerWaalsContact C-N 3.32Å; G213-L215 PolarHBondContact O-N 2.99Å; L215-E217 VanDerWaalsContact C-N 3.27Å; L215-E217 PolarHBondContact O-N 3.31Å; L215-S218 PolarHBondContact O-N 2.93Å; L215-G219 PolarHBondContact O-N 3.37Å
216V95.9Very high95.8Very high69 Ų6938.3 Ų38.342%0.41821%0.211SC..Hα-helixtrans-60-43.7175.8166.80000109.5L212 G213 G219 F220 F248L212-V216 WeakPolarHBondContact O-CB 3.34Å; L212-V216 VanDerWaalsContact O-CG2 3.29Å; L212-V216 WeakPolarHBondContact O-CG2 3.34Å; L212-V216 PolarHBondContact O-N 3.4Å; G213-V216 PolarHBondContact O-N 3.12Å; V216-G219 WeakPolarHBondContact O-CA 3.32Å; V216-G219 PolarHBondContact O-N 2.84Å; V216-G219 VanDerWaalsContact O-N 3.13Å; V216-F220 WeakPolarHBondContact O-CD1 3.47Å; V216-F220 PolarHBondContact O-N 2.86Å; V216-F220 VanDerWaalsContact O-N 3.1Å; V216-F248 HydrophobicContact CB-CZ 4.44Å; V216-F248 HydrophobicContact CG1-CZ 4.44Å; V216-F248 HydrophobicContact CG2-CE1 4.38Å; V216-F248 HydrophobicContact CG2-CZ 4.04Å
217E95.6Very high95.4Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-64.6-48.7177162.8156.9173.100113.8G213 D214 L215 G219 F220 K221 L240 D241 D244G213-E217 PolarHBondContact O-N 3.29Å; D214-E217 PolarHBondContact O-N 2.85Å; L215-E217 VanDerWaalsContact C-N 3.27Å; L215-E217 PolarHBondContact O-N 3.31Å; E217-G219 PolarHBondContact O-N 3.45Å; E217-F220 VanDerWaalsContact CA-CZ 3.5Å; E217-F220 HydrophobicContact CB-CD1 4.4Å; E217-F220 HydrophobicContact CB-CE1 3.6Å; E217-F220 HydrophobicContact CB-CE2 4.34Å; E217-F220 HydrophobicContact CB-CZ 3.5Å; E217-F220 HydrophobicContact CG-CE1 3.97Å; E217-F220 HydrophobicContact CG-CE2 3.79Å; E217-F220 HydrophobicContact CG-CZ 3.32Å; E217-F220 WeakPolarHBondContact O-CD2 3.25Å; E217-F220 WeakPolarHBondContact O-CE2 3.29Å; E217-F220 WeakPolarHBondContact O-CG 3.42Å; E217-F220 PolarHBondContact O-N 2.99Å; E217-K221 HydrophobicContact CG-CD 4.18Å; E217-K221 WeakPolarHBondContact O-CG 3.29Å; E217-K221 PolarHBondContact O-N 2.94Å; E217-K221 IonicContact OE1-NZ 2.85Å; E217-K221 PolarHBondContact OE1-NZ 3.11Å; E217-L240 WeakPolarHBondContact OE2-CG 3.11Å; E217-L240 VanDerWaalsContact OE2-O 3.07Å; E217-D241 WeakPolarHBondContact OE1-CA 3.45Å; E217-D241 PolarHBondContact OE1-N 3.33Å; E217-D244 HydrophobicContact CB-CB 3.88Å; E217-D244 HydrophobicContact CG-CB 4.05Å; E217-D244 WeakPolarHBondContact OE2-CA 3.45Å; E217-D244 WeakPolarHBondContact OE2-CB 3.35Å
218S95Very high95.1Very high10 Ų1049.3 Ų49.37%0.0726%0.262CS..Hα-helixtrans-53.7-39.1171.7-70.70000110.9D214 L215 K221 R222D214-S218 VanDerWaalsContact O-CB 3.29Å; D214-S218 WeakPolarHBondContact O-CB 3.47Å; D214-S218 PolarHBondContact O-N 3.31Å; D214-S218 PolarHBondContact O-OG 3.45Å; D214-S218 VanDerWaalsContact O-OG 3.05Å; D214-S218 PolarHBondContact OD1-OG 2.96Å; L215-S218 PolarHBondContact O-N 2.93Å; S218-K221 PolarHBondContact O-N 3.47Å; S218-R222 WeakPolarHBondContact O-CG 3.37Å; S218-R222 PolarHBondContact O-N 2.95Å
219G95.1Very high94.7Very high21 Ų2146.8 Ų46.822%0.21625%0.25CS..Hα-helixtrans-58.8-53.4178.400000113.3L215 V216 E217 K221 R222 H223L215-G219 PolarHBondContact O-N 3.37Å; V216-G219 WeakPolarHBondContact O-CA 3.32Å; V216-G219 PolarHBondContact O-N 2.84Å; V216-G219 VanDerWaalsContact O-N 3.13Å; E217-G219 PolarHBondContact O-N 3.45Å; G219-K221 VanDerWaalsContact C-N 3.3Å; G219-K221 PolarHBondContact O-N 3.34Å; G219-R222 PolarHBondContact O-N 2.73Å; G219-H223 PolarHBondContact O-N 3.41Å
220F92Very high94.4Very high34 Ų3444.2 Ų44.215%0.14924%0.243CC..Hα-helixtrans-66.3-34.1177.963.2-116.9000112L41 M44 Y114 V216 E217 R222 H223 F224 L240L41-F220 HydrophobicContact CD1-CD2 4.13Å; L41-F220 HydrophobicContact CD1-CE2 4.03Å; L41-F220 HydrophobicContact CD1-CZ 4.34Å; M44-F220 HydrophobicContact CE-CD2 4.39Å; M44-F220 HydrophobicContact CE-CE2 3.95Å; M44-F220 HydrophobicContact SD-CD2 4.06Å; M44-F220 HydrophobicContact SD-CE2 4.23Å; Y114-F220 AromaticContact CE1-CE1 3.86Å; Y114-F220 HydrophobicContact CE1-CE1 3.86Å; Y114-F220 HydrophobicContact CE1-CZ 4.29Å; V216-F220 WeakPolarHBondContact O-CD1 3.47Å; V216-F220 PolarHBondContact O-N 2.86Å; V216-F220 VanDerWaalsContact O-N 3.1Å; E217-F220 VanDerWaalsContact CA-CZ 3.5Å; E217-F220 HydrophobicContact CB-CD1 4.4Å; E217-F220 HydrophobicContact CB-CE1 3.6Å; E217-F220 HydrophobicContact CB-CE2 4.34Å; E217-F220 HydrophobicContact CB-CZ 3.5Å; E217-F220 HydrophobicContact CG-CE1 3.97Å; E217-F220 HydrophobicContact CG-CE2 3.79Å; E217-F220 HydrophobicContact CG-CZ 3.32Å; E217-F220 WeakPolarHBondContact O-CD2 3.25Å; E217-F220 WeakPolarHBondContact O-CE2 3.29Å; E217-F220 WeakPolarHBondContact O-CG 3.42Å; E217-F220 PolarHBondContact O-N 2.99Å; F220-R222 VanDerWaalsContact C-N 3.34Å; F220-R222 PolarHBondContact O-N 3.41Å; F220-H223 WeakPolarHBondContact O-CB 3.43Å; F220-H223 PolarHBondContact O-N 2.86Å; F220-F224 WeakPolarHBondContact O-CD2 3.21Å; F220-F224 PolarHBondContact O-N 3.32Å; F220-L240 HydrophobicContact CE2-CD2 3.82Å; F220-L240 HydrophobicContact CZ-CD2 3.51Å; F220-L240 HydrophobicContact CZ-CG 4.11Å
221K94.6Very high93.9Very high12 Ų1255.6 Ų55.65%0.05229%0.285CS..Hα-helixtrans-60.6-43.3174.6-72.7-173.2-61.3-149.10111.5M44 E217 S218 G219 F224 G225 V226 K227 D241M44-K221 HydrophobicContact SD-CG 4.39Å; E217-K221 HydrophobicContact CG-CD 4.18Å; E217-K221 WeakPolarHBondContact O-CG 3.29Å; E217-K221 PolarHBondContact O-N 2.94Å; E217-K221 IonicContact OE1-NZ 2.85Å; E217-K221 PolarHBondContact OE1-NZ 3.11Å; S218-K221 PolarHBondContact O-N 3.47Å; G219-K221 VanDerWaalsContact C-N 3.3Å; G219-K221 PolarHBondContact O-N 3.34Å; K221-F224 PolarHBondContact O-N 2.83Å; K221-G225 PolarHBondContact O-N 3.47Å; K221-G225 VanDerWaalsContact O-N 3.11Å; K221-V226 CarbonylContact C-O 3.59Å; K221-V226 HydrophobicContact CB-CG2 4.16Å; K221-V226 WeakPolarHBondContact CB-O 3.09Å; K221-V226 HydrophobicContact CG-CG2 4.26Å; K221-V226 PolarHBondContact O-N 3.05Å; K221-K227 WeakPolarHBondContact CD-O 3.43Å; K221-D241 WeakPolarHBondContact CD-OD1 3.48Å; K221-D241 IonicContact NZ-OD1 2.65Å; K221-D241 PolarHBondContact NZ-OD1 3.46Å
222R95Very high93.4Very high96 Ų9659.3 Ų59.336%0.36231%0.305SS..Hα-helixtrans-67.3-37.8174.9-59.3-57.7142.7-114.3-12.8112.2S218 G219 F220 F224 G225 V226 K227S218-R222 WeakPolarHBondContact O-CG 3.37Å; S218-R222 PolarHBondContact O-N 2.95Å; G219-R222 PolarHBondContact O-N 2.73Å; F220-R222 VanDerWaalsContact C-N 3.34Å; F220-R222 PolarHBondContact O-N 3.41Å; R222-F224 VanDerWaalsContact C-N 3.3Å; R222-F224 PolarHBondContact O-N 2.8Å; R222-G225 PolarHBondContact O-N 2.98Å; R222-V226 PolarHBondContact NH1-O 3.03Å; R222-K227 PolarHBondContact NH2-O 3Å
223H94Very high92.7Very high149 Ų14958 Ų5869%0.6930%0.298SS*.Hα-helixtrans-57.5-43.7175.4179.377.8000111.8G219 F220 G225G219-H223 PolarHBondContact O-N 3.41Å; F220-H223 WeakPolarHBondContact O-CB 3.43Å; F220-H223 PolarHBondContact O-N 2.86Å; H223-G225 VanDerWaalsContact C-N 3.3Å; H223-G225 PolarHBondContact O-N 3.49Å
224F94Very high92Very high47 Ų4761.4 Ų61.421%0.20632%0.32CS..THydrogen-bonded Turntrans-85.95.8176.5-64.6-65.5000114.3M44 N45 F107 F220 K221 R222 V226M44-F224 HydrophobicContact CB-CB 4.06Å; M44-F224 HydrophobicContact CB-CD1 4.43Å; M44-F224 HydrophobicContact CB-CD2 3.72Å; M44-F224 HydrophobicContact CB-CE2 4.3Å; M44-F224 HydrophobicContact CB-CG 3.81Å; M44-F224 VanDerWaalsContact O-CD1 3.28Å; M44-F224 WeakPolarHBondContact O-CD1 3.34Å; M44-F224 HydrophobicContact SD-CD2 4.26Å; N45-F224 HydrophobicContact CB-CE1 3.77Å; N45-F224 HydrophobicContact CB-CZ 3.89Å; N45-F224 WeakPolarHBondContact OD1-CE1 3.48Å; F107-F224 HydrophobicContact CD2-CZ 4.04Å; F107-F224 AromaticContact CE2-CE2 3.58Å; F107-F224 HydrophobicContact CE2-CE2 3.58Å; F107-F224 AromaticContact CE2-CZ 3.45Å; F107-F224 HydrophobicContact CE2-CZ 3.45Å; F107-F224 VanDerWaalsContact CE2-CZ 3.45Å; F107-F224 AromaticContact CZ-CE2 3.98Å; F107-F224 HydrophobicContact CZ-CE2 3.98Å; F107-F224 AromaticContact CZ-CZ 3.95Å; F107-F224 HydrophobicContact CZ-CZ 3.95Å; F220-F224 WeakPolarHBondContact O-CD2 3.21Å; F220-F224 PolarHBondContact O-N 3.32Å; K221-F224 PolarHBondContact O-N 2.83Å; R222-F224 VanDerWaalsContact C-N 3.3Å; R222-F224 PolarHBondContact O-N 2.8Å; F224-V226 HydrophobicContact CB-CG2 4.31Å; F224-V226 PolarHBondContact O-N 3.47Å
225G93.1Very high91.3Very high69 Ų6962.3 Ų62.371%0.71134%0.335SS*.THydrogen-bonded Turntrans66.816.6178.500000115.1K221 R222 H223K221-G225 PolarHBondContact O-N 3.47Å; K221-G225 VanDerWaalsContact O-N 3.11Å; R222-G225 PolarHBondContact O-N 2.98Å; H223-G225 VanDerWaalsContact C-N 3.3Å; H223-G225 PolarHBondContact O-N 3.49Å
226V93Very high90.6Very high47 Ų4763.5 Ų63.529%0.28534%0.34SS..  trans-103.7147.2-178.6-62.70000111.6M44 K221 R222 F224M44-V226 HydrophobicContact CG-CG2 4.28Å; M44-V226 HydrophobicContact SD-CG2 3.75Å; K221-V226 CarbonylContact C-O 3.59Å; K221-V226 HydrophobicContact CB-CG2 4.16Å; K221-V226 WeakPolarHBondContact CB-O 3.09Å; K221-V226 HydrophobicContact CG-CG2 4.26Å; K221-V226 PolarHBondContact O-N 3.05Å; R222-V226 PolarHBondContact NH1-O 3.03Å; F224-V226 HydrophobicContact CB-CG2 4.31Å; F224-V226 PolarHBondContact O-N 3.47Å
227K90.1Very high90.3Very high152 Ų15260.5 Ų60.566%0.66132%0.323SS*.SBendtrans-81.3-52.2176.9-174.5177.9174.3177.30112.7K221 R222K221-K227 WeakPolarHBondContact CD-O 3.43Å; R222-K227 PolarHBondContact NH2-O 3Å
228D91Very high90.2Very high79 Ų7960.5 Ų60.542%0.42232%0.323SS..SBendtrans-116.3147.3-175.7-52.2-49.9000107.9G230D228-G230 VanDerWaalsContact C-N 3.26Å; D228-G230 PolarHBondContact O-N 2.74Å
229S90.4Very high90.3Very high10 Ų1060.6 Ų60.67%0.0732%0.323CS..SBendtrans-67.9-29.4-17869.70000113E40 G238 D241E40-S229 PolarHBondContact OE2-OG 2.86Å; S229-G238 WeakPolarHBondContact OG-CA 3.38Å; S229-D241 VanDerWaalsContact N-CG 3.31Å; S229-D241 PolarHBondContact N-OD1 2.85Å; S229-D241 VanDerWaalsContact N-OD1 3.13Å; S229-D241 PolarHBondContact N-OD2 3.18Å; S229-D241 PolarHBondContact OG-N 2.92Å; S229-D241 PolarHBondContact OG-OD2 3.49Å; S229-D241 VanDerWaalsContact OG-OD2 3.07Å
230G91.4Very high90.2Very high16 Ų1659.6 Ų59.617%0.16531%0.313CS..  trans-158.9-172.9-174.400000112.4D228 G237 G238D228-G230 VanDerWaalsContact C-N 3.26Å; D228-G230 PolarHBondContact O-N 2.74Å; G230-G237 CarbonylContact O-C 3.37Å; G230-G237 WeakPolarHBondContact O-CA 3.37Å; G230-G238 PolarHBondContact O-N 3.26Å
231R88.4Confident90.3Very high242 Ų24258.1 Ų58.191%0.91331%0.306SS*.SBendtrans-131.715.6178.6-60.8-177.3-177.4173.81.5112.4L233R231-L233 VanDerWaalsContact C-N 3.28Å; R231-L233 PolarHBondContact O-N 2.75Å
232I86.8Confident90.3Very high83 Ų8363.1 Ų63.143%0.42633%0.325SS..SBendtrans-70.1-26.9-173.8-161175000112.4I36 E40 P234 G237 I239I36-I232 HydrophobicContact CD1-CD1 3.83Å; I36-I232 HydrophobicContact CG1-CD1 4.25Å; I36-I232 HydrophobicContact CG2-CD1 3.58Å; I36-I232 HydrophobicContact CG2-CG2 4.37Å; E40-I232 WeakPolarHBondContact OE1-CG2 3.3Å; I232-P234 WeakPolarHBondContact O-CD 3.27Å; I232-G237 PolarHBondContact N-O 2.95Å; I232-I239 HydrophobicContact CG2-CD1 4Å; I232-I239 HydrophobicContact CG2-CG1 3.9Å
233L83.3Confident90.3Very high35 Ų3559.5 Ų59.518%0.18331%0.311CS..BIsolated β-bridgetrans-107.5100.3173.6-62.2175.7000109.1T7 R231 G235 H236 G237 I239 R242T7-L233 HydrophobicContact CG2-CB 4.09Å; T7-L233 HydrophobicContact CG2-CD2 4.29Å; R231-L233 VanDerWaalsContact C-N 3.28Å; R231-L233 PolarHBondContact O-N 2.75Å; L233-G235 PolarHBondContact O-N 3.36Å; L233-H236 HydrophobicContact CB-CB 3.83Å; L233-H236 PolarHBondContact O-N 3.09Å; L233-G237 PolarHBondContact N-O 3.33Å; L233-G237 PolarHBondContact O-N 2.79Å; L233-I239 HydrophobicContact CD1-CD1 4.07Å; L233-I239 HydrophobicContact CG-CD1 4.32Å; L233-R242 HydrophobicContact CD1-CG 3.66Å
234P81.5Confident90.4Very high72 Ų7253.2 Ų53.247%0.46828%0.283SS..THydrogen-bonded Turntrans-52.2118.6-177.5-28.935.8000112.3V3 T7 I232 H236V3-P234 HydrophobicContact CG1-CB 4.12Å; T7-P234 PolarHBondContact OG1-O 2.66Å; I232-P234 WeakPolarHBondContact O-CD 3.27Å; P234-H236 VanDerWaalsContact C-N 3.33Å; P234-H236 PolarHBondContact O-N 3.19Å; P234-H236 PolarHBondContact O-ND1 3.17Å
235G81.4Confident90.5Very high45 Ų4551 Ų5146%0.46427%0.274SS..THydrogen-bonded Turntrans80.7-0179.800000116.4R4 L233R4-G235 PolarHBondContact NE-O 3.5Å; L233-G235 PolarHBondContact O-N 3.36Å
236H81.3Confident90.8Very high45 Ų4548.3 Ų48.321%0.20824%0.242CC..THydrogen-bonded Turntrans-119.2-11.9178.7-67.977.3000114.5R4 L233 P234 R242R4-H236 PolarHBondContact O-CE1 2.91Å; L233-H236 HydrophobicContact CB-CB 3.83Å; L233-H236 PolarHBondContact O-N 3.09Å; P234-H236 VanDerWaalsContact C-N 3.33Å; P234-H236 PolarHBondContact O-N 3.19Å; P234-H236 PolarHBondContact O-ND1 3.17Å; H236-R242 PolarHBondContact O-NE 3.41Å
237G90Very high91Very high6 Ų646.5 Ų46.56%0.06223%0.231CC..BIsolated β-bridgetrans97.1-141.1-178.900000112.3G230 I232 L233 D241G230-G237 CarbonylContact O-C 3.37Å; G230-G237 WeakPolarHBondContact O-CA 3.37Å; I232-G237 PolarHBondContact N-O 2.95Å; L233-G237 PolarHBondContact N-O 3.33Å; L233-G237 PolarHBondContact O-N 2.79Å; G237-D241 WeakPolarHBondContact CA-OD2 3.25Å
238G93.6Very high91.3Very high0 Ų041.9 Ų41.90%021%0.211CC..  trans-96-178.7178.100000114.3E40 S229 G230 L240 D241E40-G238 VanDerWaalsContact CD-CA 3.44Å; E40-G238 WeakPolarHBondContact OE1-CA 3.21Å; E40-G238 VanDerWaalsContact OE2-CA 3.27Å; E40-G238 WeakPolarHBondContact OE2-CA 3.4Å; S229-G238 WeakPolarHBondContact OG-CA 3.38Å; G230-G238 PolarHBondContact O-N 3.26Å; G238-L240 VanDerWaalsContact C-N 3.35Å; G238-D241 PolarHBondContact N-OD2 2.91Å
239I96Very high91.7Very high13 Ų1338.1 Ų38.17%0.06719%0.191CC..SBendtrans-68.1-39.2171.5-65.3-51.4000110.6L33 I36 A37 E40 F119 I232 L233 D241 R242 F243L33-I239 HydrophobicContact CB-CG2 4.14Å; L33-I239 HydrophobicContact CD2-CD1 3.83Å; L33-I239 HydrophobicContact CD2-CG1 4.13Å; L33-I239 HydrophobicContact CD2-CG2 4.24Å; I36-I239 HydrophobicContact CB-CG1 4.17Å; I36-I239 HydrophobicContact CG2-CB 4.22Å; I36-I239 HydrophobicContact CG2-CG1 3.56Å; A37-I239 HydrophobicContact CB-CB 4.48Å; A37-I239 HydrophobicContact CB-CG2 4.2Å; E40-I239 PolarHBondContact OE1-N 3.07Å; E40-I239 PolarHBondContact OE2-N 3.31Å; F119-I239 HydrophobicContact CZ-CG2 3.76Å; I232-I239 HydrophobicContact CG2-CD1 4Å; I232-I239 HydrophobicContact CG2-CG1 3.9Å; L233-I239 HydrophobicContact CD1-CD1 4.07Å; L233-I239 HydrophobicContact CG-CD1 4.32Å; I239-D241 VanDerWaalsContact C-N 3.32Å; I239-D241 PolarHBondContact O-N 3.44Å; I239-R242 PolarHBondContact O-N 2.85Å; I239-F243 HydrophobicContact CG2-CD2 4.13Å; I239-F243 PolarHBondContact O-N 3.23Å
240L94Very high92.1Very high0 Ų037.7 Ų37.70%019%0.187CC..Hα-helixtrans-60.4-45.3179.9-16259.4000110.5A37 E40 L41 M44 Y114 V115 E217 F220 G238 R242 F243 D244A37-L240 HydrophobicContact CB-CD1 4.31Å; E40-L240 PolarHBondContact OE2-N 3.4Å; E40-L240 VanDerWaalsContact OE2-N 3.13Å; L41-L240 HydrophobicContact CB-CD2 4.21Å; L41-L240 HydrophobicContact CD1-CD2 3.96Å; L41-L240 HydrophobicContact CD2-CD2 4.48Å; L41-L240 HydrophobicContact CG-CD2 4.45Å; M44-L240 HydrophobicContact CE-CD2 4.28Å; Y114-L240 HydrophobicContact CE1-CD1 3.89Å; V115-L240 HydrophobicContact CG2-CD1 4.35Å; E217-L240 WeakPolarHBondContact OE2-CG 3.11Å; E217-L240 VanDerWaalsContact OE2-O 3.07Å; F220-L240 HydrophobicContact CE2-CD2 3.82Å; F220-L240 HydrophobicContact CZ-CD2 3.51Å; F220-L240 HydrophobicContact CZ-CG 4.11Å; G238-L240 VanDerWaalsContact C-N 3.35Å; L240-R242 PolarHBondContact O-N 3.43Å; L240-F243 PolarHBondContact O-N 3.06Å; L240-D244 PolarHBondContact O-N 2.91Å
241D93.9Very high92.3Very high2 Ų237.7 Ų37.71%0.01119%0.185CC..Hα-helixtrans-54.9-21.3174.9-65.3-55000114.3E217 K221 S229 G237 G238 I239E217-D241 WeakPolarHBondContact OE1-CA 3.45Å; E217-D241 PolarHBondContact OE1-N 3.33Å; K221-D241 WeakPolarHBondContact CD-OD1 3.48Å; K221-D241 IonicContact NZ-OD1 2.65Å; K221-D241 PolarHBondContact NZ-OD1 3.46Å; S229-D241 VanDerWaalsContact N-CG 3.31Å; S229-D241 PolarHBondContact N-OD1 2.85Å; S229-D241 VanDerWaalsContact N-OD1 3.13Å; S229-D241 PolarHBondContact N-OD2 3.18Å; S229-D241 PolarHBondContact OG-N 2.92Å; S229-D241 PolarHBondContact OG-OD2 3.49Å; S229-D241 VanDerWaalsContact OG-OD2 3.07Å; G237-D241 WeakPolarHBondContact CA-OD2 3.25Å; G238-D241 PolarHBondContact N-OD2 2.91Å; I239-D241 VanDerWaalsContact C-N 3.32Å; I239-D241 PolarHBondContact O-N 3.44Å
242R94Very high92.8Very high118 Ų11828 Ų2845%0.44515%0.151SC..Hα-helixtrans-99-15.4-179.3-60.1-56.989.5-155.5-7.1113.2L233 H236 I239 L240L233-R242 HydrophobicContact CD1-CG 3.66Å; H236-R242 PolarHBondContact O-NE 3.41Å; I239-R242 PolarHBondContact O-N 2.85Å; L240-R242 PolarHBondContact O-N 3.43Å
243F95.9Very high93.3Very high19 Ų1924 Ų248%0.08313%0.13CC..Hα-helixtrans-114.82.8-177.7-80.6-97.4000114F15 L33 F119 F122 I239 L240 S245 F246 M247F15-F243 HydrophobicContact CE2-CZ 4.28Å; L33-F243 HydrophobicContact CD1-CE2 4.05Å; L33-F243 HydrophobicContact CD1-CZ 4.02Å; F119-F243 AromaticContact CE1-CD1 3.97Å; F119-F243 HydrophobicContact CE1-CD1 3.97Å; F119-F243 HydrophobicContact CE1-CD2 4.25Å; F119-F243 HydrophobicContact CE1-CE1 4.03Å; F119-F243 HydrophobicContact CE1-CE2 4.3Å; F119-F243 HydrophobicContact CE1-CG 4.09Å; F119-F243 HydrophobicContact CE1-CZ 4.2Å; F119-F243 HydrophobicContact CZ-CB 4.09Å; F119-F243 HydrophobicContact CZ-CD1 4.11Å; F119-F243 AromaticContact CZ-CD2 4Å; F119-F243 HydrophobicContact CZ-CD2 4Å; F119-F243 HydrophobicContact CZ-CE2 4.46Å; F119-F243 AromaticContact CZ-CG 3.81Å; F119-F243 HydrophobicContact CZ-CG 3.81Å; F122-F243 HydrophobicContact CD2-CE1 4.33Å; F122-F243 HydrophobicContact CE2-CE1 4.46Å; F122-F243 HydrophobicContact CG-CE1 4.4Å; I239-F243 HydrophobicContact CG2-CD2 4.13Å; I239-F243 PolarHBondContact O-N 3.23Å; L240-F243 PolarHBondContact O-N 3.06Å; F243-S245 PolarHBondContact O-N 3.4Å; F243-F246 HydrophobicContact CD1-CB 4.12Å; F243-F246 HydrophobicContact CD1-CD2 4.09Å; F243-F246 HydrophobicContact CD1-CG 4.45Å; F243-F246 WeakPolarHBondContact O-CA 3.48Å; F243-F246 WeakPolarHBondContact O-CB 3.48Å; F243-F246 PolarHBondContact O-N 3.48Å; F243-M247 HydrophobicContact CB-CE 3.69Å; F243-M247 HydrophobicContact CD1-CE 4.35Å; F243-M247 HydrophobicContact CG-CE 4.41Å; F243-M247 WeakPolarHBondContact O-CG 3.48Å; F243-M247 PolarHBondContact O-N 3.36Å
244D94.8Very high93.9Very high18 Ų1822.5 Ų22.510%0.09612%0.123CC..THydrogen-bonded Turntrans-40.5-54.6-178.160.16.5000115.1E217 L240E217-D244 HydrophobicContact CB-CB 3.88Å; E217-D244 HydrophobicContact CG-CB 4.05Å; E217-D244 WeakPolarHBondContact OE2-CA 3.45Å; E217-D244 WeakPolarHBondContact OE2-CB 3.35Å; L240-D244 PolarHBondContact O-N 2.91Å
245S97.4Very high94.5Very high1 Ų124.4 Ų24.41%0.00713%0.127CC..THydrogen-bonded Turntrans-73.5-35.4-178.5-56.80000111G210 F243 M247 F248 V249G210-S245 WeakPolarHBondContact O-CB 3.34Å; G210-S245 PolarHBondContact O-OG 3.22Å; F243-S245 PolarHBondContact O-N 3.4Å; S245-M247 VanDerWaalsContact C-N 3.3Å; S245-M247 PolarHBondContact O-N 3.06Å; S245-F248 PolarHBondContact O-N 3.24Å; S245-V249 VanDerWaalsContact O-CG2 3.25Å; S245-V249 WeakPolarHBondContact O-CG2 3.4Å; S245-V249 PolarHBondContact O-N 3.35Å
246F98Very high95.1Very high12 Ų1224.9 Ų24.95%0.05312%0.119CC..Hα-helixtrans-68.4-28.1-179.5-65-59000113F137 V140 F243 F248 V249 L250F137-F246 HydrophobicContact CD1-CD1 4.04Å; F137-F246 AromaticContact CD1-CE1 3.3Å; F137-F246 HydrophobicContact CD1-CE1 3.3Å; F137-F246 HydrophobicContact CD1-CE2 4.16Å; F137-F246 AromaticContact CD1-CZ 3.36Å; F137-F246 HydrophobicContact CD1-CZ 3.36Å; F137-F246 HydrophobicContact CE1-CD1 4.07Å; F137-F246 HydrophobicContact CE1-CD2 4.41Å; F137-F246 AromaticContact CE1-CE1 3.72Å; F137-F246 HydrophobicContact CE1-CE1 3.72Å; F137-F246 HydrophobicContact CE1-CE2 4.07Å; F137-F246 HydrophobicContact CE1-CG 4.43Å; F137-F246 AromaticContact CE1-CZ 3.71Å; F137-F246 HydrophobicContact CE1-CZ 3.71Å; F137-F246 HydrophobicContact CG-CE1 4.46Å; F137-F246 HydrophobicContact CG-CZ 4.4Å; V140-F246 HydrophobicContact CB-CD1 4.47Å; V140-F246 HydrophobicContact CB-CE1 3.55Å; V140-F246 HydrophobicContact CB-CZ 3.67Å; V140-F246 HydrophobicContact CG1-CE1 3.98Å; V140-F246 HydrophobicContact CG1-CE2 4.23Å; V140-F246 HydrophobicContact CG1-CZ 3.69Å; V140-F246 HydrophobicContact CG2-CD1 3.85Å; V140-F246 HydrophobicContact CG2-CE1 3.35Å; V140-F246 HydrophobicContact CG2-CZ 3.97Å; F243-F246 HydrophobicContact CD1-CB 4.12Å; F243-F246 HydrophobicContact CD1-CD2 4.09Å; F243-F246 HydrophobicContact CD1-CG 4.45Å; F243-F246 WeakPolarHBondContact O-CA 3.48Å; F243-F246 WeakPolarHBondContact O-CB 3.48Å; F243-F246 PolarHBondContact O-N 3.48Å; F246-F248 PolarHBondContact O-N 2.97Å; F246-F248 VanDerWaalsContact O-N 3.11Å; F246-V249 PolarHBondContact O-N 3.32Å; F246-L250 HydrophobicContact CB-CD1 3.85Å; F246-L250 HydrophobicContact CB-CG 4.2Å; F246-L250 WeakPolarHBondContact O-CB 3.14Å; F246-L250 WeakPolarHBondContact O-CG 3.43Å; F246-L250 PolarHBondContact O-N 2.98Å
247M97.3Very high95.6Very high8 Ų823.1 Ų23.14%0.03911%0.111CC..Hα-helixtrans-57-26.1174.3-64.8-63.5111.100112.5Y114 F119 F243 S245 P251Y114-M247 HydrophobicContact CD2-CB 4.25Å; Y114-M247 HydrophobicContact CE1-CG 4.2Å; Y114-M247 HydrophobicContact CE2-CB 3.47Å; Y114-M247 VanDerWaalsContact CE2-CB 3.47Å; Y114-M247 HydrophobicContact CE2-CG 3.86Å; F119-M247 HydrophobicContact CD2-CE 3.59Å; F119-M247 HydrophobicContact CD2-SD 4.28Å; F119-M247 HydrophobicContact CE2-CE 3.47Å; F119-M247 VanDerWaalsContact CE2-CE 3.47Å; F119-M247 HydrophobicContact CE2-SD 4.35Å; F119-M247 HydrophobicContact CG-CE 4.23Å; F119-M247 HydrophobicContact CZ-CE 4.02Å; F243-M247 HydrophobicContact CB-CE 3.69Å; F243-M247 HydrophobicContact CD1-CE 4.35Å; F243-M247 HydrophobicContact CG-CE 4.41Å; F243-M247 WeakPolarHBondContact O-CG 3.48Å; F243-M247 PolarHBondContact O-N 3.36Å; S245-M247 VanDerWaalsContact C-N 3.3Å; S245-M247 PolarHBondContact O-N 3.06Å; M247-P251 WeakPolarHBondContact O-CD 3.18Å; M247-P251 WeakPolarHBondContact O-CG 3.43Å
248F97.9Very high95.4Very high56 Ų5623.8 Ų23.825%0.24611%0.113CC..Hα-helixtrans-102.7-40.6178.4-84.7-136.8000112.1Y114 F209 L212 V216 S245 F246 P251 L252Y114-F248 HydrophobicContact CD2-CE2 4.41Å; Y114-F248 HydrophobicContact CE2-CD2 4.2Å; Y114-F248 AromaticContact CE2-CE2 3.83Å; Y114-F248 HydrophobicContact CE2-CE2 3.83Å; F209-F248 HydrophobicContact CB-CB 4.39Å; F209-F248 HydrophobicContact CB-CD1 4.44Å; F209-F248 AromaticContact CD1-CD1 3.9Å; F209-F248 HydrophobicContact CD1-CD1 3.9Å; F209-F248 HydrophobicContact CD1-CE1 4.44Å; F209-F248 WeakPolarHBondContact O-CB 3.47Å; L212-F248 HydrophobicContact CB-CD1 4.47Å; V216-F248 HydrophobicContact CB-CZ 4.44Å; V216-F248 HydrophobicContact CG1-CZ 4.44Å; V216-F248 HydrophobicContact CG2-CE1 4.38Å; V216-F248 HydrophobicContact CG2-CZ 4.04Å; S245-F248 PolarHBondContact O-N 3.24Å; F246-F248 PolarHBondContact O-N 2.97Å; F246-F248 VanDerWaalsContact O-N 3.11Å; F248-P251 WeakPolarHBondContact O-CD 3.4Å; F248-L252 WeakPolarHBondContact O-CB 3.42Å; F248-L252 WeakPolarHBondContact O-CD1 3.37Å; F248-L252 WeakPolarHBondContact O-CG 3.22Å; F248-L252 PolarHBondContact O-N 3.31Å
249V98.5Very high94.3Very high0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-66-43.2-176.1171.20000112A136 V140 L206 G210 S245 F246 L252 L253A136-V249 HydrophobicContact CB-CG1 4.01Å; V140-V249 HydrophobicContact CG2-CB 4.32Å; V140-V249 HydrophobicContact CG2-CG1 4.28Å; V140-V249 HydrophobicContact CG2-CG2 3.75Å; L206-V249 HydrophobicContact CB-CG1 4.49Å; L206-V249 HydrophobicContact CD2-CG1 4.41Å; L206-V249 WeakPolarHBondContact O-CG2 3.34Å; G210-V249 VanDerWaalsContact CA-CG2 3.48Å; S245-V249 VanDerWaalsContact O-CG2 3.25Å; S245-V249 WeakPolarHBondContact O-CG2 3.4Å; S245-V249 PolarHBondContact O-N 3.35Å; F246-V249 PolarHBondContact O-N 3.32Å; V249-L252 PolarHBondContact O-N 2.89Å; V249-L253 VanDerWaalsContact O-CB 3.27Å; V249-L253 WeakPolarHBondContact O-CB 3.42Å; V249-L253 PolarHBondContact O-N 3.42Å
250L98.1Very high92.2Very high0 Ų037.4 Ų37.40%019%0.193CC..Hα-helixtrans-68.8-47.5-173.4-61.7167.1000112.9F121 F122 T125 I133 A136 F246 L252 L253 N254F121-L250 HydrophobicContact CB-CB 3.85Å; F122-L250 HydrophobicContact CB-CD1 3.75Å; F122-L250 HydrophobicContact CD2-CD1 4.17Å; F122-L250 HydrophobicContact CG-CD1 4.43Å; T125-L250 HydrophobicContact CG2-CD2 4.42Å; I133-L250 HydrophobicContact CD1-CD2 3.41Å; I133-L250 VanDerWaalsContact CD1-CD2 3.41Å; A136-L250 HydrophobicContact CB-CD2 3.83Å; F246-L250 HydrophobicContact CB-CD1 3.85Å; F246-L250 HydrophobicContact CB-CG 4.2Å; F246-L250 WeakPolarHBondContact O-CB 3.14Å; F246-L250 WeakPolarHBondContact O-CG 3.43Å; F246-L250 PolarHBondContact O-N 2.98Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 3.44Å; L250-L253 PolarHBondContact O-N 3.13Å; L250-N254 PolarHBondContact O-N 2.81Å; L250-N254 VanDerWaalsContact O-N 3.13Å; L250-N254 PolarHBondContact O-ND2 3.11Å
251P97.3Very high92.2Very high17 Ų1739.3 Ų39.311%0.1120%0.203CC..Hα-helixtrans-58.3-44.3174.1-21.631.3000112.6I117 F121 M247 F248 L253 N254 I255I117-P251 HydrophobicContact CG2-CB 4.38Å; I117-P251 HydrophobicContact CG2-CG 3.99Å; F121-P251 HydrophobicContact CB-CG 4.46Å; F121-P251 HydrophobicContact CD2-CB 3.62Å; F121-P251 HydrophobicContact CD2-CG 3.68Å; F121-P251 HydrophobicContact CE2-CB 3.8Å; F121-P251 HydrophobicContact CE2-CG 4.3Å; F121-P251 HydrophobicContact CG-CB 4.33Å; F121-P251 HydrophobicContact CG-CG 4.36Å; M247-P251 WeakPolarHBondContact O-CD 3.18Å; M247-P251 WeakPolarHBondContact O-CG 3.43Å; F248-P251 WeakPolarHBondContact O-CD 3.4Å; P251-L253 PolarHBondContact O-N 3.36Å; P251-N254 PolarHBondContact O-N 3.35Å; P251-I255 VanDerWaalsContact O-CG1 3.31Å; P251-I255 WeakPolarHBondContact O-CG1 3.26Å; P251-I255 PolarHBondContact O-N 3.33Å
252L97.5Very high92.1Very high37 Ų3741.3 Ų41.319%0.19421%0.213CC..Hα-helixtrans-67-37.2-179.6-72.6173.7000112.8L206 F209 F248 V249 L250 N254 I255 L256L206-L252 HydrophobicContact CD2-CB 3.65Å; F209-L252 HydrophobicContact CB-CD1 3.31Å; F209-L252 HydrophobicContact CD1-CD1 3.5Å; F209-L252 VanDerWaalsContact CD1-CD1 3.5Å; F209-L252 HydrophobicContact CD2-CD1 3.82Å; F209-L252 HydrophobicContact CE1-CD1 4.21Å; F209-L252 HydrophobicContact CE2-CD1 4.48Å; F209-L252 HydrophobicContact CG-CD1 3.26Å; F248-L252 WeakPolarHBondContact O-CB 3.42Å; F248-L252 WeakPolarHBondContact O-CD1 3.37Å; F248-L252 WeakPolarHBondContact O-CG 3.22Å; F248-L252 PolarHBondContact O-N 3.31Å; V249-L252 PolarHBondContact O-N 2.89Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 3.44Å; L252-N254 VanDerWaalsContact C-N 3.29Å; L252-N254 PolarHBondContact O-N 3.37Å; L252-I255 PolarHBondContact O-N 3.18Å; L252-L256 HydrophobicContact CB-CD1 4.49Å; L252-L256 VanDerWaalsContact O-CB 3.27Å; L252-L256 WeakPolarHBondContact O-CB 3.31Å; L252-L256 WeakPolarHBondContact O-CG 3.49Å; L252-L256 PolarHBondContact O-N 2.74Å
253L97.2Very high92Very high0 Ų037 Ų370%020%0.2CC..Hα-helixtrans-60.7-43.9174.5-176.9159.6000110.1T125 Y132 Y135 A136 L206 V249 L250 P251 L256 L257 I258T125-L253 HydrophobicContact CG2-CD1 4.5Å; T125-L253 HydrophobicContact CG2-CD2 3.79Å; Y132-L253 HydrophobicContact CD1-CD2 4.41Å; Y135-L253 HydrophobicContact CD1-CD1 3.97Å; A136-L253 HydrophobicContact CB-CD1 3.82Å; L206-L253 HydrophobicContact CD1-CB 4.12Å; L206-L253 HydrophobicContact CD1-CD1 4.26Å; L206-L253 HydrophobicContact CD1-CG 4.3Å; L206-L253 HydrophobicContact CD2-CB 4.08Å; V249-L253 VanDerWaalsContact O-CB 3.27Å; V249-L253 WeakPolarHBondContact O-CB 3.42Å; V249-L253 PolarHBondContact O-N 3.42Å; L250-L253 PolarHBondContact O-N 3.13Å; P251-L253 PolarHBondContact O-N 3.36Å; L253-L256 PolarHBondContact O-N 3.31Å; L253-L257 HydrophobicContact CD2-CB 4.43Å; L253-L257 HydrophobicContact CD2-CD2 4.26Å; L253-L257 HydrophobicContact CG-CB 4.37Å; L253-L257 HydrophobicContact CG-CD2 4.12Å; L253-L257 WeakPolarHBondContact O-CA 3.2Å; L253-L257 WeakPolarHBondContact O-CB 3.36Å; L253-L257 PolarHBondContact O-N 2.9Å; L253-I258 HydrophobicContact CD2-CD1 3.38Å; L253-I258 HydrophobicContact CD2-CG1 3.83Å; L253-I258 PolarHBondContact O-N 2.58Å
254N95.7Very high91.7Very high4 Ų438.1 Ų38.12%0.02121%0.207CC..Iπ-helixtrans-64.1-44.9179.1-77.7-97.1000111.8F121 T125 L250 P251 L252 L256 I258 Q259F121-N254 HydrophobicContact CD1-CB 3.61Å; F121-N254 WeakPolarHBondContact CD1-ND2 3.4Å; F121-N254 HydrophobicContact CE1-CB 3.47Å; F121-N254 VanDerWaalsContact CE1-CB 3.47Å; F121-N254 HydrophobicContact CZ-CB 4.4Å; T125-N254 PolarHBondContact OG1-ND2 3.41Å; L250-N254 PolarHBondContact O-N 2.81Å; L250-N254 VanDerWaalsContact O-N 3.13Å; L250-N254 PolarHBondContact O-ND2 3.11Å; P251-N254 PolarHBondContact O-N 3.35Å; L252-N254 VanDerWaalsContact C-N 3.29Å; L252-N254 PolarHBondContact O-N 3.37Å; N254-L256 PolarHBondContact O-N 3.08Å; N254-I258 PolarHBondContact O-N 2.94Å; N254-I258 WeakPolarHBondContact OD1-CD1 3.37Å; N254-Q259 PolarHBondContact O-N 3.42Å
255I94.2Very high91.5Very high111 Ų11139.3 Ų39.357%0.56921%0.214SC*.Iπ-helixtrans-64.2-41.5179.8-67165.1000111.8P251 L252P251-I255 VanDerWaalsContact O-CG1 3.31Å; P251-I255 WeakPolarHBondContact O-CG1 3.26Å; P251-I255 PolarHBondContact O-N 3.33Å; L252-I255 PolarHBondContact O-N 3.18Å
256L94.2Very high91.1Very high55 Ų5541.9 Ų41.929%0.28823%0.228SC..Iπ-helixtrans-90.1-33.3-171.5-63.6173.9000113.6V202 I205 L252 L253 N254V202-L256 HydrophobicContact CG1-CB 4.12Å; V202-L256 HydrophobicContact CG1-CD1 4.34Å; V202-L256 HydrophobicContact CG2-CB 4.25Å; I205-L256 HydrophobicContact CB-CD1 4.36Å; I205-L256 HydrophobicContact CD1-CD1 4.44Å; I205-L256 HydrophobicContact CG2-CD1 3.83Å; L252-L256 HydrophobicContact CB-CD1 4.49Å; L252-L256 VanDerWaalsContact O-CB 3.27Å; L252-L256 WeakPolarHBondContact O-CB 3.31Å; L252-L256 WeakPolarHBondContact O-CG 3.49Å; L252-L256 PolarHBondContact O-N 2.74Å; L253-L256 PolarHBondContact O-N 3.31Å; N254-L256 PolarHBondContact O-N 3.08Å
257L91.2Very high90.7Very high8 Ų844 Ų444%0.04224%0.24CC..Iπ-helixtrans-115.8-41.6-164.8-162.180.3000113.5Y132 Y135 F192 M194 L199 V202 L253Y132-L257 HydrophobicContact CD1-CD2 3.57Å; Y132-L257 HydrophobicContact CD1-CG 4.42Å; Y132-L257 HydrophobicContact CE1-CD2 3.61Å; Y132-L257 HydrophobicContact CE1-CG 4.02Å; Y135-L257 HydrophobicContact CD1-CD2 4.03Å; Y135-L257 HydrophobicContact CE1-CD2 4Å; F192-L257 HydrophobicContact CD1-CD2 4.04Å; F192-L257 HydrophobicContact CE1-CD2 4.1Å; M194-L257 HydrophobicContact CE-CB 4.44Å; M194-L257 HydrophobicContact CE-CD1 3.08Å; M194-L257 HydrophobicContact CE-CG 3.56Å; M194-L257 HydrophobicContact SD-CD1 3.6Å; M194-L257 VanDerWaalsContact SD-CD1 3.6Å; L199-L257 HydrophobicContact CD1-CD1 3.63Å; V202-L257 HydrophobicContact CG1-CD1 4.26Å; L253-L257 HydrophobicContact CD2-CB 4.43Å; L253-L257 HydrophobicContact CD2-CD2 4.26Å; L253-L257 HydrophobicContact CG-CB 4.37Å; L253-L257 HydrophobicContact CG-CD2 4.12Å; L253-L257 WeakPolarHBondContact O-CA 3.2Å; L253-L257 WeakPolarHBondContact O-CB 3.36Å; L253-L257 PolarHBondContact O-N 2.9Å
258I86.5Confident90.1Very high21 Ų2146.8 Ų46.811%0.10826%0.255CS..Iπ-helixtrans-89.4-36.4-174.3-68.7172.3000110.7T125 E128 Y132 L253 N254 S260T125-I258 HydrophobicContact CG2-CD1 4.1Å; E128-I258 HydrophobicContact CB-CD1 3.97Å; E128-I258 HydrophobicContact CB-CG2 4.12Å; E128-I258 HydrophobicContact CG-CD1 4.19Å; E128-I258 HydrophobicContact CG-CG2 3.62Å; Y132-I258 HydrophobicContact CD1-CD1 4.25Å; Y132-I258 HydrophobicContact CD1-CG1 3.93Å; Y132-I258 HydrophobicContact CD2-CD1 4.01Å; Y132-I258 HydrophobicContact CD2-CG1 4.03Å; Y132-I258 HydrophobicContact CE1-CG1 3.95Å; Y132-I258 HydrophobicContact CE2-CG1 4.06Å; Y132-I258 HydrophobicContact CG-CD1 3.88Å; Y132-I258 HydrophobicContact CG-CG1 3.98Å; L253-I258 HydrophobicContact CD2-CD1 3.38Å; L253-I258 HydrophobicContact CD2-CG1 3.83Å; L253-I258 PolarHBondContact O-N 2.58Å; N254-I258 PolarHBondContact O-N 2.94Å; N254-I258 WeakPolarHBondContact OD1-CD1 3.37Å; I258-S260 PolarHBondContact O-N 2.99Å
259Q70.5Confident89.5Confident150 Ų15046 Ų4670%0.70126%0.256SS*.  trans47.557.9-178.6-58.8-178.714.500111.7N254N254-Q259 PolarHBondContact O-N 3.42Å
260S53.1Low88.7Confident149 Ų14950.2 Ų50.2100%1.04228%0.28SS*.  trans-61.70172.160.80000112.4I258I258-S260 PolarHBondContact O-N 2.99Å

Retrieved 260 of 260 residues in 898.5 ms (Link to these results)

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