A0A096MRJ3_PAPAN Loading...

Aquaporin-2

Forms a water-specific channel that provides the plasma membranes of renal collecting duct with high permeability to water, thereby permitting water to move in the direction of an osmotic gradient. Plays an essential role in renal water homeostasis. Could also be permeable to glycerol.

AlphaFold DB , UniProt , Accession A0A096MRJ3, Species PAPAN (Papio anubis, Olive baboon), Gene AQP2, Length 317 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
1M56.8Low80.3Confident182 Ų18298.5 Ų98.590%0.89747%0.474SS*.  054.20-71-172.9-69.900111L4M1-L4 HydrophobicContact CB-CD1 4.18Å; M1-L4 HydrophobicContact CG-CD1 4.19Å; M1-L4 HydrophobicContact SD-CD1 3.78Å
2W60.6Low81.5Confident131 Ų13190.4 Ų90.450%0.49644%0.435SS..  trans-78.6-36.4179.977.2-85.6000111.3L4 R5 G285 E287W2-L4 VanDerWaalsContact C-N 3.35Å; W2-L4 PolarHBondContact O-N 3.36Å; W2-R5 PolarHBondContact O-N 2.93Å; W2-G285 PolarHBondContact NE1-O 3.29Å; W2-G285 VanDerWaalsContact NE1-O 3.15Å; W2-E287 HydrophobicContact CZ2-CB 4.28Å
3E70.4Confident82.8Confident25 Ų2585.4 Ų85.412%0.11741%0.413CS..G310 helixtrans-55-45.6178.2-170.4176.1-16200112.3R5 S6 F9 S82 R85E3-R5 PolarHBondContact O-N 3.23Å; E3-S6 WeakPolarHBondContact O-CB 3.31Å; E3-S6 PolarHBondContact O-N 3.23Å; E3-S6 VanDerWaalsContact O-N 3.09Å; E3-F9 HydrophobicContact CG-CD2 3.65Å; E3-F9 HydrophobicContact CG-CE2 4.16Å; E3-F9 HydrophobicContact CG-CG 4.3Å; E3-F9 WeakPolarHBondContact O-CB 3.35Å; E3-F9 WeakPolarHBondContact O-CG 3.27Å; E3-S82 PolarHBondContact OE1-OG 3.45Å; E3-S82 PolarHBondContact OE2-OG 3.4Å; E3-R85 IonicContact OE1-CZ 3.23Å; E3-R85 VanDerWaalsContact OE1-CZ 3.26Å; E3-R85 IonicContact OE1-NE 2.88Å; E3-R85 PolarHBondContact OE1-NE 3.3Å; E3-R85 IonicContact OE1-NH2 3.84Å; E3-R85 PolarHBondContact OE1-NH2 2.84Å
4L73.1Confident83.9Confident52 Ų5288.4 Ų88.427%0.27242%0.424SS..G310 helixtrans-59.3-28.9177.8-80178000114.5M1 W2 S6 F9 L84 F88M1-L4 HydrophobicContact CB-CD1 4.18Å; M1-L4 HydrophobicContact CG-CD1 4.19Å; M1-L4 HydrophobicContact SD-CD1 3.78Å; W2-L4 VanDerWaalsContact C-N 3.35Å; W2-L4 PolarHBondContact O-N 3.36Å; L4-S6 VanDerWaalsContact C-N 3.32Å; L4-F9 HydrophobicContact CD2-CD1 4.45Å; L4-F9 HydrophobicContact CD2-CE1 3.73Å; L4-F9 HydrophobicContact CD2-CZ 4.08Å; L4-L84 HydrophobicContact CD1-CD1 3.84Å; L4-L84 HydrophobicContact CD2-CD1 4.18Å; L4-L84 HydrophobicContact CD2-CD2 3.5Å; L4-L84 VanDerWaalsContact CD2-CD2 3.5Å; L4-L84 HydrophobicContact CD2-CG 4.29Å; L4-L84 HydrophobicContact CG-CD1 3.83Å; L4-L84 HydrophobicContact CG-CD2 3.74Å; L4-L84 HydrophobicContact CG-CG 4.38Å; L4-F88 HydrophobicContact CD2-CD2 4.3Å; L4-F88 HydrophobicContact CD2-CE1 4.34Å; L4-F88 HydrophobicContact CD2-CE2 3.62Å; L4-F88 HydrophobicContact CD2-CZ 3.64Å
5R76.3Confident84.8Confident227 Ų22782.7 Ų82.786%0.85740%0.397SS*.G310 helixtrans-89.1-3.7-177.5-65.7-174.9176-172.5-1.5112.3W2 E3W2-R5 PolarHBondContact O-N 2.93Å; E3-R5 PolarHBondContact O-N 3.23Å
6S87.3Confident85.7Confident38 Ų3877.5 Ų77.527%0.26637%0.372SS..  trans-78.3134.7-179.9-178.80000111.6E3 L4 A8 F9 S10E3-S6 WeakPolarHBondContact O-CB 3.31Å; E3-S6 PolarHBondContact O-N 3.23Å; E3-S6 VanDerWaalsContact O-N 3.09Å; L4-S6 VanDerWaalsContact C-N 3.32Å; S6-A8 PolarHBondContact O-N 2.68Å; S6-A8 PolarHBondContact OG-N 3.15Å; S6-F9 WeakPolarHBondContact O-CB 3.28Å; S6-F9 PolarHBondContact O-N 2.99Å; S6-S10 PolarHBondContact O-N 2.95Å; S6-S10 VanDerWaalsContact O-N 3.16Å; S6-S10 PolarHBondContact O-OG 2.9Å
7I88.8Confident86.5Confident134 Ų13476.4 Ų76.469%0.68737%0.366SS*.Hα-helixtrans-61.6-36.6171.5-62.4167.6000110F9 S10 R11I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 3.26Å; I7-S10 PolarHBondContact O-N 3.31Å; I7-R11 HydrophobicContact CG2-CG 4.25Å; I7-R11 WeakPolarHBondContact O-CB 3.36Å; I7-R11 VanDerWaalsContact O-CG 3.27Å; I7-R11 WeakPolarHBondContact O-CG 3.33Å; I7-R11 PolarHBondContact O-N 2.95Å
8A89.3Confident87.2Confident64 Ų6475.3 Ų75.353%0.52936%0.362SS..Hα-helixtrans-63.2-40.117800000111.7S6 R11 A12S6-A8 PolarHBondContact O-N 2.68Å; S6-A8 PolarHBondContact OG-N 3.15Å; A8-R11 PolarHBondContact O-N 3.41Å; A8-A12 WeakPolarHBondContact O-CB 3.09Å; A8-A12 PolarHBondContact O-N 3Å
9F90.9Very high87.8Confident7 Ų771.3 Ų71.33%0.03134%0.343CS..Hα-helixtrans-62.2-48.5174.5179.2-93.7000111.4E3 L4 S6 I7 R11 A12 V13 L84 R85 F88E3-F9 HydrophobicContact CG-CD2 3.65Å; E3-F9 HydrophobicContact CG-CE2 4.16Å; E3-F9 HydrophobicContact CG-CG 4.3Å; E3-F9 WeakPolarHBondContact O-CB 3.35Å; E3-F9 WeakPolarHBondContact O-CG 3.27Å; L4-F9 HydrophobicContact CD2-CD1 4.45Å; L4-F9 HydrophobicContact CD2-CE1 3.73Å; L4-F9 HydrophobicContact CD2-CZ 4.08Å; S6-F9 WeakPolarHBondContact O-CB 3.28Å; S6-F9 PolarHBondContact O-N 2.99Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 3.26Å; F9-R11 VanDerWaalsContact C-N 3.32Å; F9-R11 PolarHBondContact O-N 2.88Å; F9-A12 WeakPolarHBondContact O-CB 3.32Å; F9-A12 PolarHBondContact O-N 2.93Å; F9-A12 VanDerWaalsContact O-N 3.12Å; F9-V13 HydrophobicContact CD1-CG2 4.09Å; F9-V13 HydrophobicContact CE1-CG2 3.66Å; F9-V13 HydrophobicContact CE2-CG2 4.34Å; F9-V13 HydrophobicContact CZ-CG2 3.81Å; F9-V13 WeakPolarHBondContact O-CG2 3.35Å; F9-V13 PolarHBondContact O-N 3.06Å; F9-L84 HydrophobicContact CE1-CD2 4.41Å; F9-L84 HydrophobicContact CE2-CD2 3.81Å; F9-L84 HydrophobicContact CZ-CD2 3.56Å; F9-R85 HydrophobicContact CE2-CB 4.03Å; F9-R85 HydrophobicContact CE2-CG 4.25Å; F9-F88 HydrophobicContact CE1-CB 4.41Å; F9-F88 HydrophobicContact CE1-CD1 4.21Å; F9-F88 HydrophobicContact CE1-CD2 4.46Å; F9-F88 HydrophobicContact CE1-CG 4.11Å; F9-F88 HydrophobicContact CZ-CB 3.83Å; F9-F88 HydrophobicContact CZ-CD1 4.36Å; F9-F88 AromaticContact CZ-CD2 3.96Å; F9-F88 HydrophobicContact CZ-CD2 3.96Å; F9-F88 AromaticContact CZ-CG 3.79Å; F9-F88 HydrophobicContact CZ-CG 3.79Å
10S93.9Very high88.3Confident68 Ų6867.8 Ų67.848%0.47633%0.325SS..Hα-helixtrans-60.9-41.2178.9-590000112.1S6 I7 A12 V13 F14S6-S10 PolarHBondContact O-N 2.95Å; S6-S10 VanDerWaalsContact O-N 3.16Å; S6-S10 PolarHBondContact O-OG 2.9Å; I7-S10 PolarHBondContact O-N 3.31Å; S10-A12 VanDerWaalsContact C-N 3.35Å; S10-V13 PolarHBondContact O-N 3.2Å; S10-F14 WeakPolarHBondContact O-CB 3.38Å; S10-F14 PolarHBondContact O-N 2.67Å
11R95.6Very high88.8Confident156 Ų15665.9 Ų65.959%0.58932%0.317SS*.Hα-helixtrans-62.2-40.9174.1-73.3174.267.7170.41.6112.1I7 A8 F9 F14 A15 I62I7-R11 HydrophobicContact CG2-CG 4.25Å; I7-R11 WeakPolarHBondContact O-CB 3.36Å; I7-R11 VanDerWaalsContact O-CG 3.27Å; I7-R11 WeakPolarHBondContact O-CG 3.33Å; I7-R11 PolarHBondContact O-N 2.95Å; A8-R11 PolarHBondContact O-N 3.41Å; F9-R11 VanDerWaalsContact C-N 3.32Å; F9-R11 PolarHBondContact O-N 2.88Å; R11-F14 PolarHBondContact O-N 2.72Å; R11-A15 WeakPolarHBondContact O-CB 3.44Å; R11-A15 PolarHBondContact O-N 3.19Å; R11-I62 HydrophobicContact CB-CG2 4.33Å
12A95.3Very high90.8Very high1 Ų160 Ų601%0.00829%0.289CS..Hα-helixtrans-67.1-43.2178.600000112.3A8 F9 S10 A15 E16 S63 Y89A8-A12 WeakPolarHBondContact O-CB 3.09Å; A8-A12 PolarHBondContact O-N 3Å; F9-A12 WeakPolarHBondContact O-CB 3.32Å; F9-A12 PolarHBondContact O-N 2.93Å; F9-A12 VanDerWaalsContact O-N 3.12Å; S10-A12 VanDerWaalsContact C-N 3.35Å; A12-A15 PolarHBondContact O-N 2.96Å; A12-E16 PolarHBondContact O-N 3.02Å; A12-S63 WeakPolarHBondContact O-CB 3.46Å; A12-Y89 HydrophobicContact CB-CE1 4.16Å; A12-Y89 WeakPolarHBondContact CB-OH 3.37Å
13V97.9Very high92.6Very high25 Ų2554.2 Ų54.215%0.15227%0.267CS..Hα-helixtrans-62.3-43.8175.11760000110.9F9 S10 A15 E16 F17 F88 Y89 A92F9-V13 HydrophobicContact CD1-CG2 4.09Å; F9-V13 HydrophobicContact CE1-CG2 3.66Å; F9-V13 HydrophobicContact CE2-CG2 4.34Å; F9-V13 HydrophobicContact CZ-CG2 3.81Å; F9-V13 WeakPolarHBondContact O-CG2 3.35Å; F9-V13 PolarHBondContact O-N 3.06Å; S10-V13 PolarHBondContact O-N 3.2Å; V13-A15 VanDerWaalsContact C-N 3.34Å; V13-A15 PolarHBondContact O-N 3.11Å; V13-E16 PolarHBondContact O-N 2.62Å; V13-F17 PolarHBondContact O-N 3.01Å; V13-F17 VanDerWaalsContact O-N 3.08Å; V13-F88 HydrophobicContact CG1-CB 4.42Å; V13-F88 HydrophobicContact CG2-CB 3.84Å; V13-Y89 HydrophobicContact CG2-CD1 4.23Å; V13-Y89 HydrophobicContact CG2-CE1 4.25Å; V13-A92 HydrophobicContact CG1-CB 3.87Å; V13-A92 WeakPolarHBondContact O-CB 3.2Å
14F98.3Very high94Very high127 Ų12753 Ų5356%0.55726%0.262SS*.Hα-helixtrans-64.4-38.3175.1180-102.7000112.5S10 R11 F17 L18S10-F14 WeakPolarHBondContact O-CB 3.38Å; S10-F14 PolarHBondContact O-N 2.67Å; R11-F14 PolarHBondContact O-N 2.72Å; F14-F17 HydrophobicContact CD2-CD1 4.46Å; F14-F17 HydrophobicContact CE2-CD1 4.35Å; F14-F17 WeakPolarHBondContact O-CB 3.43Å; F14-F17 PolarHBondContact O-N 3.45Å; F14-L18 HydrophobicContact CE1-CB 4.49Å; F14-L18 HydrophobicContact CE1-CD2 4.17Å; F14-L18 WeakPolarHBondContact O-CB 3.28Å; F14-L18 PolarHBondContact O-N 2.99Å
15A98.3Very high95.2Very high3 Ų352.3 Ų52.33%0.02526%0.257CS..Hα-helixtrans-62.7-40.9175.700000111.8R11 A12 V13 L18 A19 I62R11-A15 WeakPolarHBondContact O-CB 3.44Å; R11-A15 PolarHBondContact O-N 3.19Å; A12-A15 PolarHBondContact O-N 2.96Å; V13-A15 VanDerWaalsContact C-N 3.34Å; V13-A15 PolarHBondContact O-N 3.11Å; A15-L18 PolarHBondContact O-N 3.18Å; A15-A19 WeakPolarHBondContact O-CB 3.49Å; A15-A19 PolarHBondContact O-N 3.29Å; A15-I62 HydrophobicContact CB-CB 4.28Å; A15-I62 HydrophobicContact CB-CG2 3.91Å
16E98.7Very high96.2Very high0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-64.4-40.5174-72.9-64134.600112.9A12 V13 T20 S63 A65 H66 I67 Y89 A92 Q93A12-E16 PolarHBondContact O-N 3.02Å; V13-E16 PolarHBondContact O-N 2.62Å; E16-T20 WeakPolarHBondContact O-CB 3.35Å; E16-T20 PolarHBondContact O-N 3.11Å; E16-T20 PolarHBondContact O-OG1 2.93Å; E16-S63 WeakPolarHBondContact OE1-CB 3.29Å; E16-S63 PolarHBondContact OE1-OG 3.02Å; E16-A65 WeakPolarHBondContact OE1-CA 3.38Å; E16-A65 PolarHBondContact OE1-N 3.26Å; E16-H66 PolarHBondContact OE1-N 2.91Å; E16-I67 PolarHBondContact OE2-N 3.02Å; E16-Y89 HydrophobicContact CG-CD1 3.99Å; E16-Y89 HydrophobicContact CG-CD2 3.66Å; E16-Y89 HydrophobicContact CG-CE1 4.1Å; E16-Y89 HydrophobicContact CG-CE2 3.79Å; E16-Y89 HydrophobicContact CG-CG 3.77Å; E16-A92 HydrophobicContact CB-CB 4.32Å; E16-Q93 HydrophobicContact CB-CG 4.38Å; E16-Q93 PolarHBondContact OE2-NE2 3.15Å
17F98.8Very high96.7Very high59 Ų5945.8 Ų45.826%0.25923%0.23SC..Hα-helixtrans-59.2-53.9172.8171-92.5000111.1V13 F14 A19 T20 L21 A92 L95 G96 A99V13-F17 PolarHBondContact O-N 3.01Å; V13-F17 VanDerWaalsContact O-N 3.08Å; F14-F17 HydrophobicContact CD2-CD1 4.46Å; F14-F17 HydrophobicContact CE2-CD1 4.35Å; F14-F17 WeakPolarHBondContact O-CB 3.43Å; F14-F17 PolarHBondContact O-N 3.45Å; F17-A19 PolarHBondContact O-N 2.9Å; F17-T20 PolarHBondContact O-N 3.06Å; F17-L21 HydrophobicContact CE1-CD1 3.96Å; F17-L21 HydrophobicContact CZ-CD1 4.06Å; F17-L21 WeakPolarHBondContact O-CB 3.12Å; F17-L21 PolarHBondContact O-N 2.69Å; F17-A92 HydrophobicContact CB-CB 4.05Å; F17-L95 HydrophobicContact CD2-CB 4.15Å; F17-L95 HydrophobicContact CE2-CB 4.12Å; F17-G96 VanDerWaalsContact CD2-CA 3.41Å; F17-G96 VanDerWaalsContact CE2-CA 3.43Å; F17-A99 HydrophobicContact CE2-CB 4.44Å; F17-A99 HydrophobicContact CZ-CB 4.22Å
18L98.8Very high96.9Very high56 Ų5639.4 Ų39.429%0.29320%0.197SC..Hα-helixtrans-64.3-42-177.3179.561.5000111.6F14 A15 L21 L22F14-L18 HydrophobicContact CE1-CB 4.49Å; F14-L18 HydrophobicContact CE1-CD2 4.17Å; F14-L18 WeakPolarHBondContact O-CB 3.28Å; F14-L18 PolarHBondContact O-N 2.99Å; A15-L18 PolarHBondContact O-N 3.18Å; L18-L21 PolarHBondContact O-N 2.87Å; L18-L22 HydrophobicContact CD1-CD1 4.09Å; L18-L22 HydrophobicContact CD1-CG 4.18Å; L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.1Å
19A98.7Very high97.2Very high0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-60.8-47.6177.800000111.1A15 F17 L21 L22 F23 L55 L59 I67A15-A19 WeakPolarHBondContact O-CB 3.49Å; A15-A19 PolarHBondContact O-N 3.29Å; F17-A19 PolarHBondContact O-N 2.9Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 3.4Å; A19-L22 PolarHBondContact O-N 3.33Å; A19-F23 VanDerWaalsContact O-CB 3.23Å; A19-F23 WeakPolarHBondContact O-CB 3.36Å; A19-F23 PolarHBondContact O-N 3.23Å; A19-L55 HydrophobicContact CB-CD2 4.44Å; A19-L55 VanDerWaalsContact O-CD1 3.31Å; A19-L55 WeakPolarHBondContact O-CD1 3.23Å; A19-L59 HydrophobicContact CB-CD1 3.67Å; A19-I67 HydrophobicContact CB-CD1 3.91Å; A19-I67 HydrophobicContact CB-CG1 3.76Å; A19-I67 HydrophobicContact CB-CG2 4.22Å
20T98.8Very high97.3Very high0 Ų037.8 Ų37.80%019%0.185CC..Hα-helixtrans-70-34.5-177.6-42.30000111.6E16 F17 V24 I67 Q93 A97 A232E16-T20 WeakPolarHBondContact O-CB 3.35Å; E16-T20 PolarHBondContact O-N 3.11Å; E16-T20 PolarHBondContact O-OG1 2.93Å; F17-T20 PolarHBondContact O-N 3.06Å; T20-V24 HydrophobicContact CG2-CG2 4.37Å; T20-V24 WeakPolarHBondContact O-CB 3.47Å; T20-V24 WeakPolarHBondContact O-CG2 3.29Å; T20-V24 PolarHBondContact O-N 2.87Å; T20-I67 HydrophobicContact CG2-CG2 4.35Å; T20-Q93 HydrophobicContact CG2-CB 4.23Å; T20-Q93 WeakPolarHBondContact CG2-O 3.47Å; T20-Q93 WeakPolarHBondContact OG1-CG 3.15Å; T20-A97 HydrophobicContact CG2-CB 3.82Å; T20-A232 HydrophobicContact CG2-CB 4.17Å
21L98.8Very high97.2Very high29 Ų2935.3 Ų35.315%0.15217%0.169CC..Hα-helixtrans-57.9-54.5171.4-177.7161.2000111.3F17 L18 A19 V24 F25 G96 A99F17-L21 HydrophobicContact CE1-CD1 3.96Å; F17-L21 HydrophobicContact CZ-CD1 4.06Å; F17-L21 WeakPolarHBondContact O-CB 3.12Å; F17-L21 PolarHBondContact O-N 2.69Å; L18-L21 PolarHBondContact O-N 2.87Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 3.4Å; L21-V24 PolarHBondContact O-N 3.17Å; L21-F25 WeakPolarHBondContact O-CB 3.39Å; L21-F25 PolarHBondContact O-N 3Å; L21-G96 WeakPolarHBondContact CA-O 3.33Å; L21-G96 WeakPolarHBondContact CB-O 3.44Å; L21-A99 HydrophobicContact CD1-CB 3.98Å; L21-A99 HydrophobicContact CG-CB 4.49Å
22L98.8Very high96.9Very high57 Ų5728 Ų2830%0.29814%0.141SC..Hα-helixtrans-64.9-42.9-178.8-66.8174.2000111.4L18 A19 V24 F25 F26 L55L18-L22 HydrophobicContact CD1-CD1 4.09Å; L18-L22 HydrophobicContact CD1-CG 4.18Å; L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.1Å; A19-L22 PolarHBondContact O-N 3.33Å; L22-V24 PolarHBondContact O-N 3.43Å; L22-F25 PolarHBondContact O-N 3.15Å; L22-F26 HydrophobicContact CD2-CE2 4.28Å; L22-F26 VanDerWaalsContact O-CD2 3.26Å; L22-F26 WeakPolarHBondContact O-CD2 3.46Å; L22-F26 PolarHBondContact O-N 3.44Å; L22-L55 HydrophobicContact CB-CD2 4.18Å; L22-L55 HydrophobicContact CD1-CD2 4.1Å
23F98.6Very high96.6Very high10 Ų1033 Ų334%0.04417%0.168CC..Hα-helixtrans-56.9-50.5177.6170.8-119.7000111.9A19 G27 F48 I52 L55 I67 R233A19-F23 VanDerWaalsContact O-CB 3.23Å; A19-F23 WeakPolarHBondContact O-CB 3.36Å; A19-F23 PolarHBondContact O-N 3.23Å; F23-G27 WeakPolarHBondContact O-CA 3.33Å; F23-G27 PolarHBondContact O-N 3.43Å; F23-F48 AromaticContact CE2-CD1 3.57Å; F23-F48 HydrophobicContact CE2-CD1 3.57Å; F23-F48 HydrophobicContact CE2-CE1 4.25Å; F23-F48 HydrophobicContact CE2-CG 4.44Å; F23-F48 AromaticContact CZ-CD1 3.6Å; F23-F48 HydrophobicContact CZ-CD1 3.6Å; F23-F48 HydrophobicContact CZ-CE1 4.03Å; F23-I52 HydrophobicContact CD1-CD1 4.24Å; F23-I52 HydrophobicContact CD2-CD1 3.51Å; F23-I52 HydrophobicContact CD2-CG1 3.73Å; F23-I52 HydrophobicContact CE1-CD1 4.28Å; F23-I52 HydrophobicContact CE2-CD1 3.57Å; F23-I52 HydrophobicContact CE2-CG1 3.44Å; F23-I52 VanDerWaalsContact CE2-CG1 3.44Å; F23-I52 HydrophobicContact CG-CD1 3.86Å; F23-I52 HydrophobicContact CZ-CD1 3.96Å; F23-I52 HydrophobicContact CZ-CG1 4.06Å; F23-L55 HydrophobicContact CB-CD1 3.6Å; F23-I67 HydrophobicContact CB-CG2 3.83Å; F23-I67 HydrophobicContact CD1-CG2 4.04Å; F23-I67 HydrophobicContact CG-CG2 4.07Å; F23-R233 HydrophobicContact CE1-CB 4.02Å; F23-R233 HydrophobicContact CE1-CG 4.22Å
24V98.4Very high96Very high0 Ų035.9 Ų35.90%018%0.176CC..Hα-helixtrans-68.8-41.8-179.4171.80000111.1T20 L21 L22 L28 A97 A101 R233 A236T20-V24 HydrophobicContact CG2-CG2 4.37Å; T20-V24 WeakPolarHBondContact O-CB 3.47Å; T20-V24 WeakPolarHBondContact O-CG2 3.29Å; T20-V24 PolarHBondContact O-N 2.87Å; L21-V24 PolarHBondContact O-N 3.17Å; L22-V24 PolarHBondContact O-N 3.43Å; V24-L28 HydrophobicContact CG1-CD1 3.46Å; V24-L28 VanDerWaalsContact CG1-CD1 3.46Å; V24-L28 HydrophobicContact CG1-CG 3.9Å; V24-L28 VanDerWaalsContact O-CB 3.31Å; V24-L28 WeakPolarHBondContact O-CB 3.38Å; V24-L28 VanDerWaalsContact O-CG 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.48Å; V24-L28 PolarHBondContact O-N 3.13Å; V24-A97 WeakPolarHBondContact CG1-O 3.45Å; V24-A97 HydrophobicContact CG2-CB 3.83Å; V24-A101 HydrophobicContact CG1-CB 4.05Å; V24-R233 HydrophobicContact CG2-CB 4.35Å; V24-A236 HydrophobicContact CG1-CB 3.93Å
25F98.4Very high95.4Very high38 Ų3833.9 Ų33.917%0.16718%0.176CC..Hα-helixtrans-56.7-53.9177.4176.3-93.6000112.3L21 L22 G29 L103 L104 I107L21-F25 WeakPolarHBondContact O-CB 3.39Å; L21-F25 PolarHBondContact O-N 3Å; L22-F25 PolarHBondContact O-N 3.15Å; F25-G29 PolarHBondContact O-N 3.05Å; F25-G29 VanDerWaalsContact O-N 3.14Å; F25-L103 HydrophobicContact CD2-CB 4.28Å; F25-L103 HydrophobicContact CD2-CD2 3.93Å; F25-L103 HydrophobicContact CD2-CG 4.23Å; F25-L103 HydrophobicContact CE2-CD2 3.9Å; F25-L103 HydrophobicContact CE2-CG 4.07Å; F25-L104 HydrophobicContact CD2-CB 3.97Å; F25-L104 HydrophobicContact CE2-CB 4.34Å; F25-L104 HydrophobicContact CE2-CD1 4.39Å; F25-I107 HydrophobicContact CE2-CD1 3.36Å; F25-I107 HydrophobicContact CE2-CG1 4.12Å; F25-I107 HydrophobicContact CZ-CD1 3.32Å
26F98Very high95Very high127 Ų12741.9 Ų41.956%0.55721%0.212SC*.Hα-helixtrans-73-40-179.8-75.4-70.7000112.5L22 S30L22-F26 HydrophobicContact CD2-CE2 4.28Å; L22-F26 VanDerWaalsContact O-CD2 3.26Å; L22-F26 WeakPolarHBondContact O-CD2 3.46Å; L22-F26 PolarHBondContact O-N 3.44Å; F26-S30 VanDerWaalsContact O-CB 3.31Å; F26-S30 WeakPolarHBondContact O-CB 3.36Å; F26-S30 PolarHBondContact O-N 3.49Å; F26-S30 PolarHBondContact O-OG 3.07Å
27G96.9Very high94.4Very high1 Ų145 Ų451%0.0124%0.238CC..Hα-helixtrans-59.6-58.1179.500000111.6F23 G29 S30 A31 F48F23-G27 WeakPolarHBondContact O-CA 3.33Å; F23-G27 PolarHBondContact O-N 3.43Å; G27-G29 PolarHBondContact O-N 3.16Å; G27-S30 PolarHBondContact O-N 3.26Å; G27-S30 PolarHBondContact O-OG 3.39Å; G27-A31 PolarHBondContact O-N 2.9Å; G27-F48 VanDerWaalsContact CA-CZ 3.45Å; G27-F48 WeakPolarHBondContact O-CE2 3.42Å; G27-F48 WeakPolarHBondContact O-CZ 3.45Å
28L93.9Very high93.8Very high0 Ų048.1 Ų48.10%026%0.257CS..Hα-helixtrans-62.5-44179.3-61.2-178.4000111.7V24 S30 A31 L32 A101 L104 A117 P237V24-L28 HydrophobicContact CG1-CD1 3.46Å; V24-L28 VanDerWaalsContact CG1-CD1 3.46Å; V24-L28 HydrophobicContact CG1-CG 3.9Å; V24-L28 VanDerWaalsContact O-CB 3.31Å; V24-L28 WeakPolarHBondContact O-CB 3.38Å; V24-L28 VanDerWaalsContact O-CG 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.48Å; V24-L28 PolarHBondContact O-N 3.13Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 3.34Å; L28-A31 PolarHBondContact O-N 3.17Å; L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 3.02Å; L28-A101 HydrophobicContact CD1-CB 3.92Å; L28-L104 HydrophobicContact CB-CD2 3.46Å; L28-L104 VanDerWaalsContact CB-CD2 3.46Å; L28-L104 HydrophobicContact CD1-CD2 4.49Å; L28-A117 HydrophobicContact CD2-CB 4Å; L28-P237 HydrophobicContact CD1-CB 3.86Å; L28-P237 HydrophobicContact CD1-CG 4.06Å; L28-P237 HydrophobicContact CD2-CB 4.48Å; L28-P237 HydrophobicContact CD2-CG 4.11Å
29G94.9Very high93.2Very high12 Ų1246.5 Ų46.512%0.12425%0.25CC..Hα-helixtrans-59.2-36.5-179.800000113.1F25 G27 A31 W34 L104F25-G29 PolarHBondContact O-N 3.05Å; F25-G29 VanDerWaalsContact O-N 3.14Å; G27-G29 PolarHBondContact O-N 3.16Å; G29-A31 VanDerWaalsContact C-N 3.26Å; G29-A31 PolarHBondContact O-N 2.87Å; G29-W34 PolarHBondContact O-NE1 3.32Å; G29-L104 VanDerWaalsContact N-CD2 3.35Å
30S93.8Very high92.8Very high24 Ų2449.5 Ų49.517%0.16827%0.271CS..Hα-helixtrans-71.7-17.8176.275.70000114.4F26 G27 L28 P39 A47F26-S30 VanDerWaalsContact O-CB 3.31Å; F26-S30 WeakPolarHBondContact O-CB 3.36Å; F26-S30 PolarHBondContact O-N 3.49Å; F26-S30 PolarHBondContact O-OG 3.07Å; G27-S30 PolarHBondContact O-N 3.26Å; G27-S30 PolarHBondContact O-OG 3.39Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 3.34Å; S30-P39 WeakPolarHBondContact O-CB 3.35Å; S30-A47 VanDerWaalsContact CB-CB 3.45Å; S30-A47 WeakPolarHBondContact OG-CB 3.4Å
31A91.7Very high92.2Very high17 Ų1751.7 Ų51.714%0.1428%0.284CS..THydrogen-bonded Turntrans-104.10.2-175.600000113.7G27 L28 G29 I44 F48 A117G27-A31 PolarHBondContact O-N 2.9Å; L28-A31 PolarHBondContact O-N 3.17Å; G29-A31 VanDerWaalsContact C-N 3.26Å; G29-A31 PolarHBondContact O-N 2.87Å; A31-I44 HydrophobicContact CB-CD1 4.23Å; A31-I44 HydrophobicContact CB-CG1 4.28Å; A31-I44 HydrophobicContact CB-CG2 4.02Å; A31-F48 HydrophobicContact CB-CE2 4.31Å; A31-A117 HydrophobicContact CB-CB 3.9Å
32L89.5Confident91.9Very high2 Ų255.2 Ų55.21%0.0130%0.303CS..SBendtrans-68.1155.4176.1-57.7-178.6000111.9L28 W34 P39 T108 I112 L116 A117L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 3.02Å; L32-W34 HydrophobicContact CD1-CZ2 4.26Å; L32-W34 PolarHBondContact O-N 3.28Å; L32-P39 WeakPolarHBondContact O-CD 3.17Å; L32-P39 WeakPolarHBondContact O-CG 3.41Å; L32-T108 HydrophobicContact CD1-CG2 3.82Å; L32-I112 HydrophobicContact CB-CG2 4.45Å; L32-L116 HydrophobicContact CD2-CD1 4.4Å; L32-A117 HydrophobicContact CD2-CB 4.35Å
33N88.2Confident91.6Very high106 Ų10657.3 Ų57.357%0.56731%0.311SS*.  trans-80.479.8178.1-71.2-46.3000111.4L38N33-L38 HydrophobicContact CB-CD2 4.18Å
34W86Confident91.3Very high85 Ų8557.9 Ų57.932%0.32231%0.314SS..  trans-70.3119.7177.5-60.795.9000111.1G29 L32 Q36 A37 L38 I112G29-W34 PolarHBondContact O-NE1 3.32Å; L32-W34 HydrophobicContact CD1-CZ2 4.26Å; L32-W34 PolarHBondContact O-N 3.28Å; W34-Q36 VanDerWaalsContact C-N 3.34Å; W34-Q36 PolarHBondContact O-N 3.13Å; W34-A37 WeakPolarHBondContact CB-O 3.45Å; W34-A37 CarbonylContact O-C 3.56Å; W34-A37 VanDerWaalsContact O-C 3.25Å; W34-A37 PolarHBondContact O-N 3.12Å; W34-A37 VanDerWaalsContact O-N 3.16Å; W34-L38 PolarHBondContact O-N 3.11Å; W34-I112 HydrophobicContact CD2-CG2 4.15Å; W34-I112 HydrophobicContact CE3-CD1 3.91Å; W34-I112 HydrophobicContact CE3-CG2 3.86Å; W34-I112 HydrophobicContact CZ3-CD1 3.91Å; W34-I112 HydrophobicContact CZ3-CG2 4.1Å
35P86.1Confident91.1Very high85 Ų8557.9 Ų57.955%0.55231%0.314SS*.THydrogen-bonded Turntrans-67.4-29.6-166.619.7-27.5000114.3I112P35-I112 HydrophobicContact CG-CD1 4.49Å; P35-I112 HydrophobicContact CG-CG1 4.43Å
36Q88.6Confident91.1Very high171 Ų17159.1 Ų59.180%0.79932%0.321SS*.THydrogen-bonded Turntrans-83.3-23.2177.3-62.780.46.500113.1W34W34-Q36 VanDerWaalsContact C-N 3.34Å; W34-Q36 PolarHBondContact O-N 3.13Å
37A87.4Confident91.1Very high66 Ų6654.6 Ų54.655%0.54531%0.308SS..SBendtrans-154.490.2-174.100000110.8W34W34-A37 WeakPolarHBondContact CB-O 3.45Å; W34-A37 CarbonylContact O-C 3.56Å; W34-A37 VanDerWaalsContact O-C 3.25Å; W34-A37 PolarHBondContact O-N 3.12Å; W34-A37 VanDerWaalsContact O-N 3.16Å
38L86.4Confident91.1Very high124 Ų12454.6 Ų54.665%0.64931%0.307SS*.PPolyproline II helixtrans-64.4133.2177.9-68.8172000110.8N33 W34 S40N33-L38 HydrophobicContact CB-CD2 4.18Å; W34-L38 PolarHBondContact O-N 3.11Å; L38-S40 PolarHBondContact O-N 3.19Å
39P86.3Confident91.3Very high22 Ų2254.6 Ų54.614%0.14331%0.307CS..PPolyproline II helixtrans-70.7132.3-17829.5-35.4000111.2S30 L32 I44S30-P39 WeakPolarHBondContact O-CB 3.35Å; L32-P39 WeakPolarHBondContact O-CD 3.17Å; L32-P39 WeakPolarHBondContact O-CG 3.41Å; P39-I44 HydrophobicContact CB-CD1 4.13Å; P39-I44 HydrophobicContact CB-CG1 3.87Å; P39-I44 HydrophobicContact CG-CD1 4.13Å; P39-I44 HydrophobicContact CG-CG1 4.35Å
40S88.6Confident91.5Very high63 Ų6357.9 Ų57.944%0.44132%0.322SS..PPolyproline II helixtrans-76.9157.5172.770.60000111.8L38 L42 Q43 I44L38-S40 PolarHBondContact O-N 3.19Å; S40-L42 PolarHBondContact O-N 2.9Å; S40-Q43 WeakPolarHBondContact O-CB 3.4Å; S40-Q43 PolarHBondContact O-N 2.96Å; S40-Q43 WeakPolarHBondContact OG-CB 3.47Å; S40-Q43 PolarHBondContact OG-N 3.36Å; S40-Q43 VanDerWaalsContact OG-N 3.17Å; S40-I44 WeakPolarHBondContact O-CG1 3.42Å; S40-I44 PolarHBondContact O-N 3.4Å
41V87.7Confident91.7Very high47 Ų4757.7 Ų57.729%0.28532%0.323SS..Hα-helixtrans-53.4-42.9175.5177.80000111.5I44 A45 L219 I222V41-I44 PolarHBondContact O-N 3.38Å; V41-A45 VanDerWaalsContact O-CB 3.26Å; V41-A45 WeakPolarHBondContact O-CB 3.48Å; V41-A45 PolarHBondContact O-N 3.29Å; V41-L219 HydrophobicContact CG1-CD2 4.46Å; V41-I222 HydrophobicContact CG1-CB 4.29Å; V41-I222 HydrophobicContact CG1-CD1 3.94Å; V41-I222 HydrophobicContact CG1-CG2 4.4Å; V41-I222 HydrophobicContact CG2-CG2 4.21Å
42L91.4Very high92Very high102 Ų10257.6 Ų57.653%0.53432%0.32SS..Hα-helixtrans-65.2-41.4177.5179.562.6000111.8S40 A45 M46 L219S40-L42 PolarHBondContact O-N 2.9Å; L42-A45 PolarHBondContact O-N 3.23Å; L42-M46 HydrophobicContact CD1-CG 3.97Å; L42-M46 HydrophobicContact CG-CG 4.31Å; L42-M46 WeakPolarHBondContact O-CB 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.38Å; L42-M46 PolarHBondContact O-N 3.38Å; L42-L219 HydrophobicContact CD1-CD2 3.98Å
43Q93.2Very high92.4Very high102 Ų10257.7 Ų57.748%0.47732%0.322SS..Hα-helixtrans-60.8-46.3177.1178.7179.2-50.400111.3S40 M46 A47S40-Q43 WeakPolarHBondContact O-CB 3.4Å; S40-Q43 PolarHBondContact O-N 2.96Å; S40-Q43 WeakPolarHBondContact OG-CB 3.47Å; S40-Q43 PolarHBondContact OG-N 3.36Å; S40-Q43 VanDerWaalsContact OG-N 3.17Å; Q43-M46 PolarHBondContact O-N 3.16Å; Q43-A47 WeakPolarHBondContact O-CB 3.32Å; Q43-A47 PolarHBondContact O-N 3.49Å
44I92.4Very high92.9Very high22 Ų2257.1 Ų57.111%0.11332%0.322CS..Hα-helixtrans-63.2-48.3177.1-60171.3000109.8A31 P39 S40 V41 M46 A47 F48 I222A31-I44 HydrophobicContact CB-CD1 4.23Å; A31-I44 HydrophobicContact CB-CG1 4.28Å; A31-I44 HydrophobicContact CB-CG2 4.02Å; P39-I44 HydrophobicContact CB-CD1 4.13Å; P39-I44 HydrophobicContact CB-CG1 3.87Å; P39-I44 HydrophobicContact CG-CD1 4.13Å; P39-I44 HydrophobicContact CG-CG1 4.35Å; S40-I44 WeakPolarHBondContact O-CG1 3.42Å; S40-I44 PolarHBondContact O-N 3.4Å; V41-I44 PolarHBondContact O-N 3.38Å; I44-M46 VanDerWaalsContact C-N 3.29Å; I44-M46 PolarHBondContact O-N 3.32Å; I44-A47 PolarHBondContact O-N 2.94Å; I44-A47 VanDerWaalsContact O-N 3.12Å; I44-F48 HydrophobicContact CG2-CD2 3.77Å; I44-F48 HydrophobicContact CG2-CE2 3.82Å; I44-F48 WeakPolarHBondContact O-CD2 3.36Å; I44-F48 PolarHBondContact O-N 2.96Å; I44-I222 HydrophobicContact CB-CD1 3.84Å; I44-I222 HydrophobicContact CG2-CD1 3.68Å
45A94.7Very high93.5Very high0 Ų053.7 Ų53.70%031%0.31CS..Hα-helixtrans-56.7-43.3178.500000112.4V41 L42 G49 A215 H218 L219V41-A45 VanDerWaalsContact O-CB 3.26Å; V41-A45 WeakPolarHBondContact O-CB 3.48Å; V41-A45 PolarHBondContact O-N 3.29Å; L42-A45 PolarHBondContact O-N 3.23Å; A45-G49 PolarHBondContact O-N 2.79Å; A45-A215 HydrophobicContact CB-CB 4.47Å; A45-A215 WeakPolarHBondContact O-CA 3.46Å; A45-A215 WeakPolarHBondContact O-CB 3.32Å; A45-H218 HydrophobicContact CB-CB 3.54Å; A45-L219 HydrophobicContact CB-CD2 3.9Å; A45-L219 HydrophobicContact CB-CG 4.02Å
46M97.8Very high94Very high64 Ų6450.7 Ų50.732%0.31529%0.29SS..Hα-helixtrans-68.8-37.5177-71.2-60.7-63.100112.4L42 Q43 I44 L50 F212L42-M46 HydrophobicContact CD1-CG 3.97Å; L42-M46 HydrophobicContact CG-CG 4.31Å; L42-M46 WeakPolarHBondContact O-CB 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.38Å; L42-M46 PolarHBondContact O-N 3.38Å; Q43-M46 PolarHBondContact O-N 3.16Å; I44-M46 VanDerWaalsContact C-N 3.29Å; I44-M46 PolarHBondContact O-N 3.32Å; M46-L50 HydrophobicContact CE-CD1 3.83Å; M46-L50 HydrophobicContact CE-CD2 4.17Å; M46-L50 HydrophobicContact CE-CG 3.94Å; M46-L50 WeakPolarHBondContact O-CB 3.35Å; M46-L50 VanDerWaalsContact O-CG 3.22Å; M46-L50 WeakPolarHBondContact O-CG 3.33Å; M46-L50 PolarHBondContact O-N 2.99Å; M46-F212 HydrophobicContact CE-CE1 4.03Å; M46-F212 HydrophobicContact SD-CE1 4.3Å
47A97.6Very high94.4Very high32 Ų3249.1 Ų49.126%0.26428%0.283SS..Hα-helixtrans-64.1-47.3177.200000112.1S30 Q43 I44 G51S30-A47 VanDerWaalsContact CB-CB 3.45Å; S30-A47 WeakPolarHBondContact OG-CB 3.4Å; Q43-A47 WeakPolarHBondContact O-CB 3.32Å; Q43-A47 PolarHBondContact O-N 3.49Å; I44-A47 PolarHBondContact O-N 2.94Å; I44-A47 VanDerWaalsContact O-N 3.12Å; A47-G51 WeakPolarHBondContact O-CA 3.41Å; A47-G51 PolarHBondContact O-N 3.24Å
48F97.9Very high94.9Very high1 Ų148.4 Ų48.40%0.00428%0.277CS..Hα-helixtrans-66.5-43.4175.6-83.3-95.6000112.1F23 G27 A31 I44 G51 I52 V214 H218 R233F23-F48 AromaticContact CE2-CD1 3.57Å; F23-F48 HydrophobicContact CE2-CD1 3.57Å; F23-F48 HydrophobicContact CE2-CE1 4.25Å; F23-F48 HydrophobicContact CE2-CG 4.44Å; F23-F48 AromaticContact CZ-CD1 3.6Å; F23-F48 HydrophobicContact CZ-CD1 3.6Å; F23-F48 HydrophobicContact CZ-CE1 4.03Å; G27-F48 VanDerWaalsContact CA-CZ 3.45Å; G27-F48 WeakPolarHBondContact O-CE2 3.42Å; G27-F48 WeakPolarHBondContact O-CZ 3.45Å; A31-F48 HydrophobicContact CB-CE2 4.31Å; I44-F48 HydrophobicContact CG2-CD2 3.77Å; I44-F48 HydrophobicContact CG2-CE2 3.82Å; I44-F48 WeakPolarHBondContact O-CD2 3.36Å; I44-F48 PolarHBondContact O-N 2.96Å; F48-G51 PolarHBondContact O-N 3.07Å; F48-I52 PolarHBondContact O-N 3.32Å; F48-V214 HydrophobicContact CB-CG1 4.17Å; F48-H218 WeakPolarHBondContact CB-NE2 3.48Å; F48-H218 AromaticContact CD1-CE1 3.79Å; F48-H218 AromaticContact CD1-NE2 3.33Å; F48-H218 VanDerWaalsContact CD1-NE2 3.33Å; F48-H218 WeakPolarHBondContact CD1-NE2 3.26Å; F48-H218 AromaticContact CD2-CD2 3.85Å; F48-H218 AromaticContact CD2-NE2 3.65Å; F48-H218 AromaticContact CE1-NE2 3.93Å; F48-H218 AromaticContact CG-CD2 3.76Å; F48-H218 AromaticContact CG-CE1 3.7Å; F48-H218 AromaticContact CG-NE2 3.18Å; F48-H218 WeakPolarHBondContact CG-NE2 3.42Å; F48-R233 HydrophobicContact CE1-CG 4.05Å
49G97.6Very high95.4Very high0 Ų043.6 Ų43.60%025%0.252CS..Hα-helixtrans-66.3-50.7-179.100000113.4A45 G51 I52 G53 G211A45-G49 PolarHBondContact O-N 2.79Å; G49-G51 VanDerWaalsContact C-N 3.29Å; G49-G51 PolarHBondContact O-N 3.3Å; G49-I52 PolarHBondContact O-N 3.45Å; G49-G53 PolarHBondContact O-N 3.04Å; G49-G211 CarbonylContact C-O 3.45Å; G49-G211 WeakPolarHBondContact CA-O 3.28Å; G49-G211 CarbonylContact O-C 3.57Å; G49-G211 WeakPolarHBondContact O-CA 3.43Å
50L98.3Very high95.8Very high81 Ų8143.6 Ų43.642%0.42426%0.255SS..Hα-helixtrans-65.6-35.2174.9-64.4178.7000111.3M46 I52 G53 T54M46-L50 HydrophobicContact CE-CD1 3.83Å; M46-L50 HydrophobicContact CE-CD2 4.17Å; M46-L50 HydrophobicContact CE-CG 3.94Å; M46-L50 WeakPolarHBondContact O-CB 3.35Å; M46-L50 VanDerWaalsContact O-CG 3.22Å; M46-L50 WeakPolarHBondContact O-CG 3.33Å; M46-L50 PolarHBondContact O-N 2.99Å; L50-I52 PolarHBondContact O-N 3.48Å; L50-G53 PolarHBondContact O-N 3.03Å; L50-T54 WeakPolarHBondContact O-CB 3.17Å; L50-T54 PolarHBondContact O-N 3.25Å; L50-T54 PolarHBondContact O-OG1 3.43Å
51G98.3Very high95.9Very high19 Ų1948 Ų4820%0.19627%0.268CS..Hα-helixtrans-55.3-52173.200000112.2A47 F48 G49 L55A47-G51 WeakPolarHBondContact O-CA 3.41Å; A47-G51 PolarHBondContact O-N 3.24Å; F48-G51 PolarHBondContact O-N 3.07Å; G49-G51 VanDerWaalsContact C-N 3.29Å; G49-G51 PolarHBondContact O-N 3.3Å; G51-L55 WeakPolarHBondContact O-CB 3.3Å; G51-L55 WeakPolarHBondContact O-CD1 3.48Å; G51-L55 VanDerWaalsContact O-CG 3.23Å; G51-L55 WeakPolarHBondContact O-CG 3.43Å; G51-L55 PolarHBondContact O-N 3.38Å; G51-L55 VanDerWaalsContact O-N 3.07Å
52I98Very high96.2Very high15 Ų1548.3 Ų48.38%0.07727%0.268CS..Hα-helixtrans-63.9-45.9175.1-70-66.5000111.3F23 F48 G49 L50 T54 L55 V56 I67 I210 V214F23-I52 HydrophobicContact CD1-CD1 4.24Å; F23-I52 HydrophobicContact CD2-CD1 3.51Å; F23-I52 HydrophobicContact CD2-CG1 3.73Å; F23-I52 HydrophobicContact CE1-CD1 4.28Å; F23-I52 HydrophobicContact CE2-CD1 3.57Å; F23-I52 HydrophobicContact CE2-CG1 3.44Å; F23-I52 VanDerWaalsContact CE2-CG1 3.44Å; F23-I52 HydrophobicContact CG-CD1 3.86Å; F23-I52 HydrophobicContact CZ-CD1 3.96Å; F23-I52 HydrophobicContact CZ-CG1 4.06Å; F48-I52 PolarHBondContact O-N 3.32Å; G49-I52 PolarHBondContact O-N 3.45Å; L50-I52 PolarHBondContact O-N 3.48Å; I52-T54 VanDerWaalsContact C-N 3.34Å; I52-T54 PolarHBondContact O-N 2.77Å; I52-L55 PolarHBondContact O-N 2.94Å; I52-V56 HydrophobicContact CG2-CG2 3.96Å; I52-V56 WeakPolarHBondContact O-CB 3.29Å; I52-V56 VanDerWaalsContact O-CG2 3.28Å; I52-V56 WeakPolarHBondContact O-CG2 3.45Å; I52-V56 PolarHBondContact O-N 3.47Å; I52-I67 HydrophobicContact CD1-CB 4.13Å; I52-I67 HydrophobicContact CD1-CD1 4.04Å; I52-I67 HydrophobicContact CD1-CG2 4Å; I52-I210 HydrophobicContact CG2-CG2 3.81Å; I52-V214 HydrophobicContact CB-CG2 4.17Å; I52-V214 HydrophobicContact CG1-CG1 4.28Å; I52-V214 HydrophobicContact CG1-CG2 4.11Å; I52-V214 HydrophobicContact CG2-CG2 4.05Å
53G97.8Very high96.4Very high5 Ų543.9 Ų43.95%0.05225%0.246CC..Hα-helixtrans-58.2-44.6179.800000112.8G49 L50 Q57 A207G49-G53 PolarHBondContact O-N 3.04Å; L50-G53 PolarHBondContact O-N 3.03Å; G53-Q57 WeakPolarHBondContact O-CB 3.35Å; G53-Q57 PolarHBondContact O-N 3.47Å; G53-A207 VanDerWaalsContact CA-O 3.28Å; G53-A207 WeakPolarHBondContact CA-O 3.41Å; G53-A207 WeakPolarHBondContact O-CB 3.15Å
54T98.6Very high96.4Very high93 Ų9341.1 Ų41.157%0.57125%0.245SC*.Hα-helixtrans-62.8-44.1175.7-64.20000111.7L50 I52 Q57 A58L50-T54 WeakPolarHBondContact O-CB 3.17Å; L50-T54 PolarHBondContact O-N 3.25Å; L50-T54 PolarHBondContact O-OG1 3.43Å; I52-T54 VanDerWaalsContact C-N 3.34Å; I52-T54 PolarHBondContact O-N 2.77Å; T54-Q57 PolarHBondContact O-N 3.09Å; T54-A58 VanDerWaalsContact O-CB 3.26Å; T54-A58 WeakPolarHBondContact O-CB 3.3Å; T54-A58 PolarHBondContact O-N 3.08Å
55L98.3Very high96.6Very high14 Ų1440.5 Ų40.57%0.07324%0.243CC..Hα-helixtrans-70.4-37.6-179-69.1168.5000112.5A19 L22 F23 G51 I52 Q57 A58 L59 I67A19-L55 HydrophobicContact CB-CD2 4.44Å; A19-L55 VanDerWaalsContact O-CD1 3.31Å; A19-L55 WeakPolarHBondContact O-CD1 3.23Å; L22-L55 HydrophobicContact CB-CD2 4.18Å; L22-L55 HydrophobicContact CD1-CD2 4.1Å; F23-L55 HydrophobicContact CB-CD1 3.6Å; G51-L55 WeakPolarHBondContact O-CB 3.3Å; G51-L55 WeakPolarHBondContact O-CD1 3.48Å; G51-L55 VanDerWaalsContact O-CG 3.23Å; G51-L55 WeakPolarHBondContact O-CG 3.43Å; G51-L55 PolarHBondContact O-N 3.38Å; G51-L55 VanDerWaalsContact O-N 3.07Å; I52-L55 PolarHBondContact O-N 2.94Å; L55-Q57 VanDerWaalsContact C-N 3.33Å; L55-A58 PolarHBondContact O-N 3.39Å; L55-L59 HydrophobicContact CD2-CD1 4.25Å; L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 PolarHBondContact O-N 2.98Å; L55-I67 HydrophobicContact CB-CD1 3.48Å; L55-I67 VanDerWaalsContact CB-CD1 3.48Å; L55-I67 HydrophobicContact CD1-CD1 4.09Å; L55-I67 HydrophobicContact CG-CD1 4.44Å
56V97.5Very high96.8Very high21 Ų2141.6 Ų41.613%0.12725%0.248CC..Hα-helixtrans-62.1-43.7171.9173.10000110.3I52 A58 G60 A65 A207 I210I52-V56 HydrophobicContact CG2-CG2 3.96Å; I52-V56 WeakPolarHBondContact O-CB 3.29Å; I52-V56 VanDerWaalsContact O-CG2 3.28Å; I52-V56 WeakPolarHBondContact O-CG2 3.45Å; I52-V56 PolarHBondContact O-N 3.47Å; V56-A58 PolarHBondContact O-N 3.33Å; V56-G60 WeakPolarHBondContact O-CA 3.32Å; V56-G60 PolarHBondContact O-N 3.42Å; V56-A65 HydrophobicContact CB-CB 4.28Å; V56-A65 HydrophobicContact CG2-CB 3.95Å; V56-A207 HydrophobicContact CB-CB 4.24Å; V56-A207 HydrophobicContact CG1-CB 3.97Å; V56-I210 HydrophobicContact CG1-CD1 4.21Å; V56-I210 HydrophobicContact CG2-CG2 4.32Å
57Q97.6Very high96.8Very high138 Ų13838.6 Ų38.665%0.64523%0.233SC*.Hα-helixtrans-62.8-42.1175.6-173.560.546.800112.2G53 T54 L55 A207G53-Q57 WeakPolarHBondContact O-CB 3.35Å; G53-Q57 PolarHBondContact O-N 3.47Å; T54-Q57 PolarHBondContact O-N 3.09Å; L55-Q57 VanDerWaalsContact C-N 3.33Å; Q57-A207 HydrophobicContact CB-CB 3.77Å
58A97.7Very high96.8Very high51 Ų5137.4 Ų37.442%0.42122%0.222SC..Hα-helixtrans-79.1-37-173.800000113.5T54 L55 V56 H61T54-A58 VanDerWaalsContact O-CB 3.26Å; T54-A58 WeakPolarHBondContact O-CB 3.3Å; T54-A58 PolarHBondContact O-N 3.08Å; L55-A58 PolarHBondContact O-N 3.39Å; V56-A58 PolarHBondContact O-N 3.33Å; A58-H61 PolarHBondContact O-CE1 3.32Å; A58-H61 PolarHBondContact O-ND1 2.9Å
59L96.5Very high96.9Very high24 Ų2437.5 Ų37.513%0.12622%0.223CC..Hα-helixtrans-123.1-6.6-168.2-59.2174.1000113.4A19 L55 H61 I62 S63A19-L59 HydrophobicContact CB-CD1 3.67Å; L55-L59 HydrophobicContact CD2-CD1 4.25Å; L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 PolarHBondContact O-N 2.98Å; L59-H61 VanDerWaalsContact C-N 3.28Å; L59-H61 PolarHBondContact O-N 3.29Å; L59-I62 HydrophobicContact CD2-CD1 3.97Å; L59-I62 WeakPolarHBondContact O-CB 3.4Å; L59-I62 PolarHBondContact O-N 3.48Å; L59-S63 PolarHBondContact O-N 3.46Å; L59-S63 VanDerWaalsContact O-N 3.12Å
60G93.9Very high96.9Very high21 Ų2137.5 Ų37.522%0.21622%0.223CC..Hα-helixtrans-57.5-38.9-178.800000113.3V56 I62 G64V56-G60 WeakPolarHBondContact O-CA 3.32Å; V56-G60 PolarHBondContact O-N 3.42Å; G60-I62 PolarHBondContact O-N 2.86Å; G60-G64 WeakPolarHBondContact O-CA 3Å; G60-G64 PolarHBondContact O-N 3.33Å
61H92.1Very high96.9Very high155 Ų15533.9 Ų33.972%0.71821%0.205SC*.Hα-helixtrans-70.6-12.9176.867.2-83.3000114.1A58 L59A58-H61 PolarHBondContact O-CE1 3.32Å; A58-H61 PolarHBondContact O-ND1 2.9Å; L59-H61 VanDerWaalsContact C-N 3.28Å; L59-H61 PolarHBondContact O-N 3.29Å
62I93.1Very high97Very high55 Ų5533 Ų3328%0.28220%0.195SC..Hα-helixtrans-96.2-49.4-179.8-53.3179.8000110.7R11 A15 L59 G60R11-I62 HydrophobicContact CB-CG2 4.33Å; A15-I62 HydrophobicContact CB-CB 4.28Å; A15-I62 HydrophobicContact CB-CG2 3.91Å; L59-I62 HydrophobicContact CD2-CD1 3.97Å; L59-I62 WeakPolarHBondContact O-CB 3.4Å; L59-I62 PolarHBondContact O-N 3.48Å; G60-I62 PolarHBondContact O-N 2.86Å
63S94.8Very high97Very high9 Ų934.1 Ų34.16%0.06320%0.202CC..Hα-helixtrans-118.7-14.4-173.9680000115.3A12 E16 L59 A65 Y89A12-S63 WeakPolarHBondContact O-CB 3.46Å; E16-S63 WeakPolarHBondContact OE1-CB 3.29Å; E16-S63 PolarHBondContact OE1-OG 3.02Å; L59-S63 PolarHBondContact O-N 3.46Å; L59-S63 VanDerWaalsContact O-N 3.12Å; S63-A65 VanDerWaalsContact C-N 3.31Å; S63-A65 PolarHBondContact OG-N 3.38Å; S63-Y89 WeakPolarHBondContact CA-OH 3.45Å; S63-Y89 VanDerWaalsContact O-CE2 3.28Å; S63-Y89 WeakPolarHBondContact O-CE2 3.34Å; S63-Y89 PolarHBondContact O-OH 3.28Å
64G93.4Very high97Very high44 Ų4433.9 Ų33.945%0.45420%0.2SC..  trans88.9-5.7-162.200000113.5G60 H66G60-G64 WeakPolarHBondContact O-CA 3Å; G60-G64 PolarHBondContact O-N 3.33Å; G64-H66 PolarHBondContact O-N 3.31Å
65A96.8Very high96.9Very high9 Ų929.9 Ų29.97%0.07418%0.176CC..  trans46.461.217900000113.3E16 V56 S63 I67E16-A65 WeakPolarHBondContact OE1-CA 3.38Å; E16-A65 PolarHBondContact OE1-N 3.26Å; V56-A65 HydrophobicContact CB-CB 4.28Å; V56-A65 HydrophobicContact CG2-CB 3.95Å; S63-A65 VanDerWaalsContact C-N 3.31Å; S63-A65 PolarHBondContact OG-N 3.38Å; A65-I67 HydrophobicContact CB-CD1 4.14Å; A65-I67 HydrophobicContact CB-CG1 4.28Å
66H98.4Very high96.7Very high22 Ų2230.8 Ų30.810%0.10218%0.181CC..  trans-70.3-47.5176.4-69.4-166000111.2E16 G64 N68 V71 T72 Y89E16-H66 PolarHBondContact OE1-N 2.91Å; G64-H66 PolarHBondContact O-N 3.31Å; H66-N68 WeakPolarHBondContact O-CB 3.26Å; H66-N68 PolarHBondContact O-N 2.88Å; H66-V71 HydrophobicContact CB-CG1 4.33Å; H66-T72 WeakPolarHBondContact CB-OG1 3.32Å; H66-T72 VanDerWaalsContact ND1-CA 3.34Å; H66-T72 WeakPolarHBondContact ND1-CA 3.49Å; H66-T72 PolarHBondContact ND1-OG1 3.03Å; H66-Y89 AromaticContact ND1-CD2 3.66Å
67I98.4Very high96.6Very high1 Ų131.9 Ų31.91%0.00519%0.187CC..  trans55.812.7174.2-38.9176.8000112.7E16 A19 T20 F23 I52 L55 A65 N230E16-I67 PolarHBondContact OE2-N 3.02Å; A19-I67 HydrophobicContact CB-CD1 3.91Å; A19-I67 HydrophobicContact CB-CG1 3.76Å; A19-I67 HydrophobicContact CB-CG2 4.22Å; T20-I67 HydrophobicContact CG2-CG2 4.35Å; F23-I67 HydrophobicContact CB-CG2 3.83Å; F23-I67 HydrophobicContact CD1-CG2 4.04Å; F23-I67 HydrophobicContact CG-CG2 4.07Å; I52-I67 HydrophobicContact CD1-CB 4.13Å; I52-I67 HydrophobicContact CD1-CD1 4.04Å; I52-I67 HydrophobicContact CD1-CG2 4Å; L55-I67 HydrophobicContact CB-CD1 3.48Å; L55-I67 VanDerWaalsContact CB-CD1 3.48Å; L55-I67 HydrophobicContact CD1-CD1 4.09Å; L55-I67 HydrophobicContact CG-CD1 4.44Å; A65-I67 HydrophobicContact CB-CD1 4.14Å; A65-I67 HydrophobicContact CB-CG1 4.28Å; I67-N230 PolarHBondContact O-ND2 3.25Å
68N98.6Very high96.3Very high7 Ų725.4 Ų25.44%0.03716%0.157CC..SBendtrans-159.6122.6-166.6-175.3-17.2000110.1H66 A70 V71 T72 Q93 M229 N230 P231H66-N68 WeakPolarHBondContact O-CB 3.26Å; H66-N68 PolarHBondContact O-N 2.88Å; N68-A70 VanDerWaalsContact C-N 3.27Å; N68-A70 PolarHBondContact O-N 2.96Å; N68-A70 WeakPolarHBondContact OD1-CB 3.4Å; N68-A70 PolarHBondContact OD1-N 2.99Å; N68-V71 HydrophobicContact CB-CB 4Å; N68-V71 HydrophobicContact CB-CG2 3.8Å; N68-V71 PolarHBondContact O-N 2.99Å; N68-T72 PolarHBondContact O-N 3.25Å; N68-T72 PolarHBondContact O-OG1 3.45Å; N68-Q93 PolarHBondContact O-OE1 2.77Å; N68-M229 PolarHBondContact ND2-O 3.09Å; N68-N230 HydrophobicContact CB-CB 4.43Å; N68-N230 VanDerWaalsContact CG-CG 3.44Å; N68-N230 WeakPolarHBondContact OD1-CA 3.44Å; N68-N230 PolarHBondContact OD1-OD1 3.4Å; N68-P231 WeakPolarHBondContact OD1-CD 3.36Å
69P98.8Very high95.9Very high3 Ų323.8 Ų23.82%0.01914%0.143CC..Hα-helixtrans-58-37.2175.5-28.836.8000113.4T72 V73 V90 Q93 L94 N230 P231 A232P69-T72 PolarHBondContact O-N 3.35Å; P69-V73 WeakPolarHBondContact O-CG2 3.45Å; P69-V73 PolarHBondContact O-N 3.12Å; P69-V90 HydrophobicContact CB-CG1 4.2Å; P69-V90 HydrophobicContact CB-CG2 4.17Å; P69-V90 HydrophobicContact CG-CG1 4.43Å; P69-Q93 HydrophobicContact CG-CB 4.41Å; P69-L94 HydrophobicContact CG-CD2 4.11Å; P69-N230 WeakPolarHBondContact CD-OD1 3.49Å; P69-P231 HydrophobicContact CB-CB 4.41Å; P69-P231 HydrophobicContact CB-CG 4.35Å; P69-P231 HydrophobicContact CG-CB 4.38Å; P69-A232 HydrophobicContact CG-CB 3.84Å
70A98.6Very high95.5Very high0 Ų026.7 Ų26.70%016%0.155CC..Hα-helixtrans-66-43.8179.100000111.9N68 T72 V73 A74 T184 P231 P254 L255 A258N68-A70 VanDerWaalsContact C-N 3.27Å; N68-A70 PolarHBondContact O-N 2.96Å; N68-A70 WeakPolarHBondContact OD1-CB 3.4Å; N68-A70 PolarHBondContact OD1-N 2.99Å; A70-T72 VanDerWaalsContact C-N 3.33Å; A70-T72 PolarHBondContact O-N 3.16Å; A70-V73 PolarHBondContact O-N 3.44Å; A70-A74 PolarHBondContact O-N 3.21Å; A70-T184 HydrophobicContact CB-CG2 4.11Å; A70-P231 HydrophobicContact CB-CG 4.43Å; A70-P254 HydrophobicContact CB-CB 3.89Å; A70-L255 HydrophobicContact CB-CD2 4.4Å; A70-A258 HydrophobicContact CB-CB 3.84Å; A70-A258 WeakPolarHBondContact O-CB 3.21Å
71V98.6Very high95.3Very high6 Ų626.4 Ų26.44%0.03615%0.149CC..Hα-helixtrans-63.3-40.7173.8176.10000110.8H66 N68 V73 A74 C75 V188 I191H66-V71 HydrophobicContact CB-CG1 4.33Å; N68-V71 HydrophobicContact CB-CB 4Å; N68-V71 HydrophobicContact CB-CG2 3.8Å; N68-V71 PolarHBondContact O-N 2.99Å; V71-V73 VanDerWaalsContact C-N 3.34Å; V71-V73 PolarHBondContact O-N 2.99Å; V71-A74 WeakPolarHBondContact O-CB 3.45Å; V71-A74 PolarHBondContact O-N 3.42Å; V71-A74 VanDerWaalsContact O-N 3.16Å; V71-C75 PolarHBondContact O-N 3.16Å; V71-C75 PolarHBondContact O-SG 3.28Å; V71-C75 VanDerWaalsContact O-SG 3.39Å; V71-V188 HydrophobicContact CG2-CG2 4.29Å; V71-I191 HydrophobicContact CB-CD1 4.44Å; V71-I191 HydrophobicContact CG1-CD1 3.83Å; V71-I191 HydrophobicContact CG2-CD1 3.67Å
72T98.5Very high95.4Very high0 Ų019.3 Ų19.30%012%0.117CC..Hα-helixtrans-61.9-42.1176.8-56.20000112.3H66 N68 P69 A70 C75 L76 A86 Y89 V90 Q93H66-T72 WeakPolarHBondContact CB-OG1 3.32Å; H66-T72 VanDerWaalsContact ND1-CA 3.34Å; H66-T72 WeakPolarHBondContact ND1-CA 3.49Å; H66-T72 PolarHBondContact ND1-OG1 3.03Å; N68-T72 PolarHBondContact O-N 3.25Å; N68-T72 PolarHBondContact O-OG1 3.45Å; P69-T72 PolarHBondContact O-N 3.35Å; A70-T72 VanDerWaalsContact C-N 3.33Å; A70-T72 PolarHBondContact O-N 3.16Å; T72-C75 PolarHBondContact O-N 3.33Å; T72-L76 PolarHBondContact O-N 3Å; T72-A86 HydrophobicContact CG2-CB 3.87Å; T72-Y89 HydrophobicContact CG2-CD2 4.47Å; T72-V90 HydrophobicContact CG2-CG2 4.01Å; T72-Q93 PolarHBondContact OG1-NE2 3.26Å; T72-Q93 PolarHBondContact OG1-OE1 3.36Å
73V98.4Very high95.4Very high38 Ų3822.8 Ų22.823%0.2313%0.131CC..Hα-helixtrans-65.5-40.3173.6170.40000111.2P69 A70 V71 C75 L76 V77 L255 I259P69-V73 WeakPolarHBondContact O-CG2 3.45Å; P69-V73 PolarHBondContact O-N 3.12Å; A70-V73 PolarHBondContact O-N 3.44Å; V71-V73 VanDerWaalsContact C-N 3.34Å; V71-V73 PolarHBondContact O-N 2.99Å; V73-C75 PolarHBondContact O-N 3.49Å; V73-L76 WeakPolarHBondContact O-CB 3.41Å; V73-L76 PolarHBondContact O-N 2.96Å; V73-V77 WeakPolarHBondContact O-CG2 3.18Å; V73-V77 PolarHBondContact O-N 2.95Å; V73-L255 HydrophobicContact CB-CD2 4.1Å; V73-L255 HydrophobicContact CG1-CD2 4.32Å; V73-L255 HydrophobicContact CG2-CD2 3.87Å; V73-I259 HydrophobicContact CG1-CD1 4.09Å; V73-I259 HydrophobicContact CG1-CG1 3.86Å
74A97.7Very high95.3Very high0 Ų024.8 Ų24.80%014%0.14CC..Hα-helixtrans-59-45.1173.500000112.2A70 V71 L76 V77 G78 V188 F192 A258 S262A70-A74 PolarHBondContact O-N 3.21Å; V71-A74 WeakPolarHBondContact O-CB 3.45Å; V71-A74 PolarHBondContact O-N 3.42Å; V71-A74 VanDerWaalsContact O-N 3.16Å; A74-L76 VanDerWaalsContact C-N 3.31Å; A74-L76 PolarHBondContact O-N 3.27Å; A74-V77 PolarHBondContact O-N 2.68Å; A74-G78 PolarHBondContact O-N 3.39Å; A74-V188 HydrophobicContact CB-CG1 3.77Å; A74-V188 HydrophobicContact CB-CG2 4.08Å; A74-F192 HydrophobicContact CB-CE2 4.26Å; A74-F192 HydrophobicContact CB-CZ 4.25Å; A74-A258 HydrophobicContact CB-CB 4Å; A74-A258 WeakPolarHBondContact CB-O 3.15Å; A74-S262 WeakPolarHBondContact O-CB 3.45Å; A74-S262 PolarHBondContact O-OG 3.21Å
75C96.1Very high95.3Very high9 Ų925.2 Ų25.26%0.06113%0.128CC..Hα-helixtrans-63.4-36.2175.7-69.40000112.1V71 T72 V73 G78 C79 H80 V81V71-C75 PolarHBondContact O-N 3.16Å; V71-C75 PolarHBondContact O-SG 3.28Å; V71-C75 VanDerWaalsContact O-SG 3.39Å; T72-C75 PolarHBondContact O-N 3.33Å; V73-C75 PolarHBondContact O-N 3.49Å; C75-G78 PolarHBondContact O-N 3.28Å; C75-C79 PolarHBondContact O-N 3.26Å; C75-H80 HydrophobicContact CB-CB 4.21Å; C75-H80 PolarHBondContact O-N 2.97Å; C75-V81 HydrophobicContact CB-CG1 4.2Å; C75-V81 HydrophobicContact CB-CG2 3.82Å
76L95.8Very high95.3Very high34 Ų3425 Ų2518%0.17813%0.127CC..Hα-helixtrans-64.4-48.7175.2-17965.6000111.2T72 V73 A74 G78 C79 V81 F83 A86 L283T72-L76 PolarHBondContact O-N 3Å; V73-L76 WeakPolarHBondContact O-CB 3.41Å; V73-L76 PolarHBondContact O-N 2.96Å; A74-L76 VanDerWaalsContact C-N 3.31Å; A74-L76 PolarHBondContact O-N 3.27Å; L76-G78 VanDerWaalsContact C-N 3.27Å; L76-G78 PolarHBondContact O-N 3.02Å; L76-C79 PolarHBondContact O-N 3.24Å; L76-V81 HydrophobicContact CB-CG2 4.15Å; L76-F83 HydrophobicContact CD1-CB 4.28Å; L76-F83 HydrophobicContact CD2-CD2 4.18Å; L76-A86 HydrophobicContact CB-CB 4.27Å; L76-A86 HydrophobicContact CD1-CB 4.15Å; L76-A86 HydrophobicContact CD2-CB 4.14Å; L76-A86 HydrophobicContact CG-CB 4.43Å; L76-L283 HydrophobicContact CD1-CD1 3.57Å; L76-L283 HydrophobicContact CG-CD1 4.48Å
77V94.8Very high95.2Very high44 Ų4427.4 Ų27.427%0.26714%0.143SC..Hα-helixtrans-62.8-35.5176.8171.70000111.8V73 A74 C79 I259 L263 Y267V73-V77 WeakPolarHBondContact O-CG2 3.18Å; V73-V77 PolarHBondContact O-N 2.95Å; A74-V77 PolarHBondContact O-N 2.68Å; V77-C79 PolarHBondContact O-N 2.82Å; V77-I259 HydrophobicContact CG2-CG1 4.27Å; V77-L263 HydrophobicContact CG1-CD2 3.77Å; V77-L263 HydrophobicContact CG1-CG 4.12Å; V77-Y267 PolarHBondContact O-OH 2.82Å
78G91.3Very high95.2Very high1 Ų131.6 Ų31.61%0.0116%0.161CC..THydrogen-bonded Turntrans-74.5-2.9175.800000114.2A74 C75 L76 H80 S262A74-G78 PolarHBondContact O-N 3.39Å; C75-G78 PolarHBondContact O-N 3.28Å; L76-G78 VanDerWaalsContact C-N 3.27Å; L76-G78 PolarHBondContact O-N 3.02Å; G78-H80 VanDerWaalsContact C-N 3.3Å; G78-H80 PolarHBondContact O-CD2 3.4Å; G78-H80 PolarHBondContact O-N 2.94Å; G78-S262 WeakPolarHBondContact CA-OG 2.99Å; G78-S262 PolarHBondContact N-OG 2.67Å
79C89.6Confident95.2Very high17 Ų1731.4 Ų31.412%0.11516%0.16CC..THydrogen-bonded Turntrans55.744.2-174.3-54.90000112.2C75 L76 V77 K274 R279 V282C75-C79 PolarHBondContact O-N 3.26Å; L76-C79 PolarHBondContact O-N 3.24Å; V77-C79 PolarHBondContact O-N 2.82Å; C79-K274 PolarHBondContact O-NZ 3.16Å; C79-R279 HydrophobicContact CB-CB 4.41Å; C79-R279 HydrophobicContact CB-CG 4.31Å; C79-V282 WeakPolarHBondContact O-CG1 3.5Å
80H87.3Confident95.2Very high85 Ų8532.9 Ų32.939%0.39417%0.169SC..SBendtrans-103.1-21.5174.5-64.3-69.3000112.6C75 G78 F192 N266C75-H80 HydrophobicContact CB-CB 4.21Å; C75-H80 PolarHBondContact O-N 2.97Å; G78-H80 VanDerWaalsContact C-N 3.3Å; G78-H80 PolarHBondContact O-CD2 3.4Å; G78-H80 PolarHBondContact O-N 2.94Å; H80-F192 AromaticContact CD2-CE1 3.32Å; H80-F192 WeakPolarHBondContact CD2-CE1 3.26Å; H80-F192 AromaticContact CD2-CZ 3.94Å; H80-F192 AromaticContact NE2-CD1 3.91Å; H80-F192 AromaticContact NE2-CE1 3.57Å; H80-N266 PolarHBondContact NE2-OD1 3.5Å
81V91.1Very high95.1Very high15 Ų1535.1 Ų35.19%0.09119%0.187CC..SBendtrans-133.2152.3177-65.20000111.8C75 L76 A86C75-V81 HydrophobicContact CB-CG1 4.2Å; C75-V81 HydrophobicContact CB-CG2 3.82Å; L76-V81 HydrophobicContact CB-CG2 4.15Å; V81-A86 HydrophobicContact CG2-CB 4.17Å
82S93.1Very high95.2Very high6 Ų635.2 Ų35.24%0.04219%0.188CC..  trans-69.7153173.375.40000111.4E3 L84 R85 A86 V282E3-S82 PolarHBondContact OE1-OG 3.45Å; E3-S82 PolarHBondContact OE2-OG 3.4Å; S82-L84 PolarHBondContact O-N 3.47Å; S82-R85 PolarHBondContact O-N 2.95Å; S82-R85 VanDerWaalsContact OG-CB 3.24Å; S82-R85 WeakPolarHBondContact OG-CB 3.47Å; S82-R85 PolarHBondContact OG-N 2.95Å; S82-R85 VanDerWaalsContact OG-N 3.08Å; S82-A86 WeakPolarHBondContact O-CB 3.2Å; S82-A86 PolarHBondContact O-N 3.47Å; S82-V282 VanDerWaalsContact CA-O 3.28Å; S82-V282 WeakPolarHBondContact CA-O 3.43Å; S82-V282 WeakPolarHBondContact CB-O 3.31Å
83F93.4Very high95.2Very high129 Ų12935.2 Ų35.257%0.56619%0.188SC*.Hα-helixtrans-58-39.8176.3177.4-98.2000112.1L76 A86 T87 L283L76-F83 HydrophobicContact CD1-CB 4.28Å; L76-F83 HydrophobicContact CD2-CD2 4.18Å; F83-A86 PolarHBondContact O-N 3.4Å; F83-T87 PolarHBondContact O-N 3.16Å; F83-T87 PolarHBondContact O-OG1 2.92Å; F83-L283 HydrophobicContact CB-CD1 4.1Å; F83-L283 PolarHBondContact N-O 3.35Å
84L92.1Very high95.2Very high51 Ų5135.2 Ų35.227%0.26719%0.187SC..Hα-helixtrans-65.5-47.5178.7-174.4143000111L4 F9 S82 A86 T87 F88L4-L84 HydrophobicContact CD1-CD1 3.84Å; L4-L84 HydrophobicContact CD2-CD1 4.18Å; L4-L84 HydrophobicContact CD2-CD2 3.5Å; L4-L84 VanDerWaalsContact CD2-CD2 3.5Å; L4-L84 HydrophobicContact CD2-CG 4.29Å; L4-L84 HydrophobicContact CG-CD1 3.83Å; L4-L84 HydrophobicContact CG-CD2 3.74Å; L4-L84 HydrophobicContact CG-CG 4.38Å; F9-L84 HydrophobicContact CE1-CD2 4.41Å; F9-L84 HydrophobicContact CE2-CD2 3.81Å; F9-L84 HydrophobicContact CZ-CD2 3.56Å; S82-L84 PolarHBondContact O-N 3.47Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 3.42Å; L84-T87 PolarHBondContact O-N 2.95Å; L84-F88 HydrophobicContact CD2-CD2 4.03Å; L84-F88 HydrophobicContact CD2-CE2 4.17Å; L84-F88 HydrophobicContact CG-CD2 4.24Å; L84-F88 HydrophobicContact CG-CE2 4.22Å; L84-F88 WeakPolarHBondContact O-CD2 3.36Å; L84-F88 PolarHBondContact O-N 3.21Å; L84-F88 VanDerWaalsContact O-N 3.11Å
85R93.9Very high95.2Very high53 Ų5340.8 Ų40.820%0.222%0.216CC..Hα-helixtrans-59.7-45175.8-178.9176.6-64.8-981.7111.9E3 F9 S82 T87 F88 Y89E3-R85 IonicContact OE1-CZ 3.23Å; E3-R85 VanDerWaalsContact OE1-CZ 3.26Å; E3-R85 IonicContact OE1-NE 2.88Å; E3-R85 PolarHBondContact OE1-NE 3.3Å; E3-R85 IonicContact OE1-NH2 3.84Å; E3-R85 PolarHBondContact OE1-NH2 2.84Å; F9-R85 HydrophobicContact CE2-CB 4.03Å; F9-R85 HydrophobicContact CE2-CG 4.25Å; S82-R85 PolarHBondContact O-N 2.95Å; S82-R85 VanDerWaalsContact OG-CB 3.24Å; S82-R85 WeakPolarHBondContact OG-CB 3.47Å; S82-R85 PolarHBondContact OG-N 2.95Å; S82-R85 VanDerWaalsContact OG-N 3.08Å; R85-T87 VanDerWaalsContact C-N 3.27Å; R85-T87 PolarHBondContact O-N 2.8Å; R85-F88 PolarHBondContact O-N 3.22Å; R85-Y89 HydrophobicContact CG-CD1 3.82Å; R85-Y89 HydrophobicContact CG-CD2 4.45Å; R85-Y89 HydrophobicContact CG-CE1 3.53Å; R85-Y89 HydrophobicContact CG-CE2 4.2Å; R85-Y89 HydrophobicContact CG-CG 4.27Å; R85-Y89 PolarHBondContact NH1-OH 3.48Å; R85-Y89 VanDerWaalsContact NH1-OH 3.07Å; R85-Y89 WeakPolarHBondContact O-CB 3.33Å; R85-Y89 WeakPolarHBondContact O-CD1 3.13Å; R85-Y89 PolarHBondContact O-N 3.21Å
86A96.1Very high95.4Very high5 Ų540.3 Ų40.34%0.04121%0.213CC..Hα-helixtrans-57.2-43177.400000111.6T72 L76 V81 S82 F83 L84 Y89 V90T72-A86 HydrophobicContact CG2-CB 3.87Å; L76-A86 HydrophobicContact CB-CB 4.27Å; L76-A86 HydrophobicContact CD1-CB 4.15Å; L76-A86 HydrophobicContact CD2-CB 4.14Å; L76-A86 HydrophobicContact CG-CB 4.43Å; V81-A86 HydrophobicContact CG2-CB 4.17Å; S82-A86 WeakPolarHBondContact O-CB 3.2Å; S82-A86 PolarHBondContact O-N 3.47Å; F83-A86 PolarHBondContact O-N 3.4Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 3.42Å; A86-Y89 PolarHBondContact O-N 2.87Å; A86-V90 VanDerWaalsContact O-CG2 3.3Å; A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 3.45Å
87T96.8Very high95.5Very high71 Ų7138.8 Ų38.844%0.43621%0.205SC..Hα-helixtrans-62.9-47.4178.8-56.70000111.9F83 L84 R85 V90 A91F83-T87 PolarHBondContact O-N 3.16Å; F83-T87 PolarHBondContact O-OG1 2.92Å; L84-T87 PolarHBondContact O-N 2.95Å; R85-T87 VanDerWaalsContact C-N 3.27Å; R85-T87 PolarHBondContact O-N 2.8Å; T87-V90 PolarHBondContact O-N 2.82Å; T87-A91 PolarHBondContact O-N 2.6Å
88F97.7Very high95.7Very high90 Ų9038.7 Ų38.740%0.39521%0.205SC..Hα-helixtrans-68-35.9178.6-84.9-98.1000112.6L4 F9 V13 L84 R85 A92L4-F88 HydrophobicContact CD2-CD2 4.3Å; L4-F88 HydrophobicContact CD2-CE1 4.34Å; L4-F88 HydrophobicContact CD2-CE2 3.62Å; L4-F88 HydrophobicContact CD2-CZ 3.64Å; F9-F88 HydrophobicContact CE1-CB 4.41Å; F9-F88 HydrophobicContact CE1-CD1 4.21Å; F9-F88 HydrophobicContact CE1-CD2 4.46Å; F9-F88 HydrophobicContact CE1-CG 4.11Å; F9-F88 HydrophobicContact CZ-CB 3.83Å; F9-F88 HydrophobicContact CZ-CD1 4.36Å; F9-F88 AromaticContact CZ-CD2 3.96Å; F9-F88 HydrophobicContact CZ-CD2 3.96Å; F9-F88 AromaticContact CZ-CG 3.79Å; F9-F88 HydrophobicContact CZ-CG 3.79Å; V13-F88 HydrophobicContact CG1-CB 4.42Å; V13-F88 HydrophobicContact CG2-CB 3.84Å; L84-F88 HydrophobicContact CD2-CD2 4.03Å; L84-F88 HydrophobicContact CD2-CE2 4.17Å; L84-F88 HydrophobicContact CG-CD2 4.24Å; L84-F88 HydrophobicContact CG-CE2 4.22Å; L84-F88 WeakPolarHBondContact O-CD2 3.36Å; L84-F88 PolarHBondContact O-N 3.21Å; L84-F88 VanDerWaalsContact O-N 3.11Å; R85-F88 PolarHBondContact O-N 3.22Å; F88-A92 VanDerWaalsContact O-CB 3.23Å; F88-A92 WeakPolarHBondContact O-CB 3.2Å; F88-A92 PolarHBondContact O-N 3.04Å
89Y98.4Very high96Very high3 Ų340.3 Ų40.31%0.01222%0.218CC..Hα-helixtrans-63.8-48.9175.4-83.926.3000111A12 V13 E16 S63 H66 T72 R85 A86 A91 A92 Q93A12-Y89 HydrophobicContact CB-CE1 4.16Å; A12-Y89 WeakPolarHBondContact CB-OH 3.37Å; V13-Y89 HydrophobicContact CG2-CD1 4.23Å; V13-Y89 HydrophobicContact CG2-CE1 4.25Å; E16-Y89 HydrophobicContact CG-CD1 3.99Å; E16-Y89 HydrophobicContact CG-CD2 3.66Å; E16-Y89 HydrophobicContact CG-CE1 4.1Å; E16-Y89 HydrophobicContact CG-CE2 3.79Å; E16-Y89 HydrophobicContact CG-CG 3.77Å; S63-Y89 WeakPolarHBondContact CA-OH 3.45Å; S63-Y89 VanDerWaalsContact O-CE2 3.28Å; S63-Y89 WeakPolarHBondContact O-CE2 3.34Å; S63-Y89 PolarHBondContact O-OH 3.28Å; H66-Y89 AromaticContact ND1-CD2 3.66Å; T72-Y89 HydrophobicContact CG2-CD2 4.47Å; R85-Y89 HydrophobicContact CG-CD1 3.82Å; R85-Y89 HydrophobicContact CG-CD2 4.45Å; R85-Y89 HydrophobicContact CG-CE1 3.53Å; R85-Y89 HydrophobicContact CG-CE2 4.2Å; R85-Y89 HydrophobicContact CG-CG 4.27Å; R85-Y89 PolarHBondContact NH1-OH 3.48Å; R85-Y89 VanDerWaalsContact NH1-OH 3.07Å; R85-Y89 WeakPolarHBondContact O-CB 3.33Å; R85-Y89 WeakPolarHBondContact O-CD1 3.13Å; R85-Y89 PolarHBondContact O-N 3.21Å; A86-Y89 PolarHBondContact O-N 2.87Å; Y89-A91 VanDerWaalsContact C-N 3.34Å; Y89-A91 PolarHBondContact O-N 3.45Å; Y89-A92 PolarHBondContact O-N 2.96Å; Y89-Q93 WeakPolarHBondContact O-CB 3.41Å; Y89-Q93 VanDerWaalsContact O-CD 3.22Å; Y89-Q93 WeakPolarHBondContact O-CG 3.17Å; Y89-Q93 PolarHBondContact O-N 2.92Å
90V98.8Very high96.4Very high34 Ų3439.5 Ų39.521%0.20621%0.213CC..Hα-helixtrans-59.4-46.2177.51720000110.6P69 T72 A86 T87 A92 Q93 L94P69-V90 HydrophobicContact CB-CG1 4.2Å; P69-V90 HydrophobicContact CB-CG2 4.17Å; P69-V90 HydrophobicContact CG-CG1 4.43Å; T72-V90 HydrophobicContact CG2-CG2 4.01Å; A86-V90 VanDerWaalsContact O-CG2 3.3Å; A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 3.45Å; T87-V90 PolarHBondContact O-N 2.82Å; V90-A92 PolarHBondContact O-N 2.96Å; V90-Q93 PolarHBondContact O-N 3.01Å; V90-L94 HydrophobicContact CG1-CD1 3.96Å; V90-L94 HydrophobicContact CG1-CG 4.34Å; V90-L94 VanDerWaalsContact O-CG 3.26Å; V90-L94 WeakPolarHBondContact O-CG 3.29Å; V90-L94 PolarHBondContact O-N 3.4Å
91A98.6Very high96.9Very high47 Ų4735.5 Ų35.539%0.38819%0.194SC..Hα-helixtrans-59.8-46.1176.900000112.2T87 Y89 Q93 L94 L95T87-A91 PolarHBondContact O-N 2.6Å; Y89-A91 VanDerWaalsContact C-N 3.34Å; Y89-A91 PolarHBondContact O-N 3.45Å; A91-Q93 PolarHBondContact O-N 3.19Å; A91-L94 PolarHBondContact O-N 3.02Å; A91-L95 WeakPolarHBondContact O-CB 3.49Å; A91-L95 VanDerWaalsContact O-CG 3.29Å; A91-L95 WeakPolarHBondContact O-CG 3.29Å; A91-L95 PolarHBondContact O-N 3.41Å
92A98.6Very high97.3Very high7 Ų736.6 Ų36.66%0.05821%0.205CC..Hα-helixtrans-62.2-41.7177.400000112.5V13 E16 F17 F88 Y89 V90 G96V13-A92 HydrophobicContact CG1-CB 3.87Å; V13-A92 WeakPolarHBondContact O-CB 3.2Å; E16-A92 HydrophobicContact CB-CB 4.32Å; F17-A92 HydrophobicContact CB-CB 4.05Å; F88-A92 VanDerWaalsContact O-CB 3.23Å; F88-A92 WeakPolarHBondContact O-CB 3.2Å; F88-A92 PolarHBondContact O-N 3.04Å; Y89-A92 PolarHBondContact O-N 2.96Å; V90-A92 PolarHBondContact O-N 2.96Å; A92-G96 PolarHBondContact O-N 2.99Å
93Q98.9Very high97.5Very high0 Ų040.5 Ų40.50%023%0.225CC..Hα-helixtrans-63.8-46.9177.7-71155.24.500111.4E16 T20 N68 P69 T72 Y89 V90 A91 G96 A97 A232E16-Q93 HydrophobicContact CB-CG 4.38Å; E16-Q93 PolarHBondContact OE2-NE2 3.15Å; T20-Q93 HydrophobicContact CG2-CB 4.23Å; T20-Q93 WeakPolarHBondContact CG2-O 3.47Å; T20-Q93 WeakPolarHBondContact OG1-CG 3.15Å; N68-Q93 PolarHBondContact O-OE1 2.77Å; P69-Q93 HydrophobicContact CG-CB 4.41Å; T72-Q93 PolarHBondContact OG1-NE2 3.26Å; T72-Q93 PolarHBondContact OG1-OE1 3.36Å; Y89-Q93 WeakPolarHBondContact O-CB 3.41Å; Y89-Q93 VanDerWaalsContact O-CD 3.22Å; Y89-Q93 WeakPolarHBondContact O-CG 3.17Å; Y89-Q93 PolarHBondContact O-N 2.92Å; V90-Q93 PolarHBondContact O-N 3.01Å; A91-Q93 PolarHBondContact O-N 3.19Å; Q93-G96 PolarHBondContact O-N 3.23Å; Q93-A97 WeakPolarHBondContact O-CB 3.47Å; Q93-A97 PolarHBondContact O-N 3.31Å; Q93-A232 HydrophobicContact CB-CB 4.38Å
94L98.8Very high97.7Very high39 Ų3934.6 Ų34.620%0.20420%0.199CC..Hα-helixtrans-63.6-45.1178.9-64174.7000111.6P69 V90 A91 V98 A232 L235 W251P69-L94 HydrophobicContact CG-CD2 4.11Å; V90-L94 HydrophobicContact CG1-CD1 3.96Å; V90-L94 HydrophobicContact CG1-CG 4.34Å; V90-L94 VanDerWaalsContact O-CG 3.26Å; V90-L94 WeakPolarHBondContact O-CG 3.29Å; V90-L94 PolarHBondContact O-N 3.4Å; A91-L94 PolarHBondContact O-N 3.02Å; L94-V98 WeakPolarHBondContact O-CG2 3.36Å; L94-V98 PolarHBondContact O-N 3.28Å; L94-V98 VanDerWaalsContact O-N 3.12Å; L94-A232 HydrophobicContact CD2-CB 3.87Å; L94-L235 HydrophobicContact CD2-CD2 3.78Å; L94-W251 HydrophobicContact CD1-CH2 4.27Å; L94-W251 HydrophobicContact CD2-CH2 3.87Å; L94-W251 HydrophobicContact CD2-CZ2 4.38Å
95L98.8Very high97.9Very high116 Ų11634.8 Ų34.861%0.60720%0.199SC*.Hα-helixtrans-65-43.6177-69.9172.8000111.9F17 A91 A99F17-L95 HydrophobicContact CD2-CB 4.15Å; F17-L95 HydrophobicContact CE2-CB 4.12Å; A91-L95 WeakPolarHBondContact O-CB 3.49Å; A91-L95 VanDerWaalsContact O-CG 3.29Å; A91-L95 WeakPolarHBondContact O-CG 3.29Å; A91-L95 PolarHBondContact O-N 3.41Å; L95-A99 WeakPolarHBondContact O-CB 3.19Å; L95-A99 PolarHBondContact O-N 2.78Å
96G98.8Very high98Very high0 Ų038.6 Ų38.60%022%0.219CC..Hα-helixtrans-62.7-44.8177.800000111.6F17 L21 A92 Q93 A99 G100F17-G96 VanDerWaalsContact CD2-CA 3.41Å; F17-G96 VanDerWaalsContact CE2-CA 3.43Å; L21-G96 WeakPolarHBondContact CA-O 3.33Å; L21-G96 WeakPolarHBondContact CB-O 3.44Å; A92-G96 PolarHBondContact O-N 2.99Å; Q93-G96 PolarHBondContact O-N 3.23Å; G96-A99 PolarHBondContact O-N 2.98Å; G96-G100 PolarHBondContact O-N 3.15Å
97A98.6Very high98.1Very high1 Ų143.2 Ų43.21%0.00824%0.242CC..Hα-helixtrans-58.2-52177.200000111.7T20 V24 Q93 A99 G100 A101 A232 A236T20-A97 HydrophobicContact CG2-CB 3.82Å; V24-A97 WeakPolarHBondContact CG1-O 3.45Å; V24-A97 HydrophobicContact CG2-CB 3.83Å; Q93-A97 WeakPolarHBondContact O-CB 3.47Å; Q93-A97 PolarHBondContact O-N 3.31Å; A97-A99 VanDerWaalsContact C-N 3.32Å; A97-A99 PolarHBondContact O-N 3.21Å; A97-G100 PolarHBondContact O-N 2.98Å; A97-G100 VanDerWaalsContact O-N 3.16Å; A97-A101 PolarHBondContact O-N 2.84Å; A97-A232 HydrophobicContact CB-CB 3.85Å; A97-A232 WeakPolarHBondContact CB-O 3.4Å; A97-A236 HydrophobicContact CB-CB 3.71Å; A97-A236 WeakPolarHBondContact O-CB 3.37Å
98V98.6Very high98Very high43 Ų4340.1 Ų40.126%0.26122%0.223SC..Hα-helixtrans-61-41.9178.3174.60000110.8L94 G100 A101 A102 A236 V239L94-V98 WeakPolarHBondContact O-CG2 3.36Å; L94-V98 PolarHBondContact O-N 3.28Å; L94-V98 VanDerWaalsContact O-N 3.12Å; V98-G100 VanDerWaalsContact C-N 3.34Å; V98-G100 PolarHBondContact O-N 3.45Å; V98-A101 PolarHBondContact O-N 3.47Å; V98-A102 VanDerWaalsContact O-CB 3.3Å; V98-A102 WeakPolarHBondContact O-CB 3.4Å; V98-A102 PolarHBondContact O-N 2.73Å; V98-A236 HydrophobicContact CG2-CB 4.44Å; V98-V239 HydrophobicContact CG1-CG1 4.1Å; V98-V239 HydrophobicContact CG2-CB 4.35Å; V98-V239 HydrophobicContact CG2-CG1 4.38Å; V98-V239 HydrophobicContact CG2-CG2 4.45Å
99A98.7Very high97.8Very high35 Ų3538.9 Ų38.929%0.28922%0.224SC..Hα-helixtrans-61.5-40.7175.400000112.4F17 L21 L95 G96 A97 A102 L103F17-A99 HydrophobicContact CE2-CB 4.44Å; F17-A99 HydrophobicContact CZ-CB 4.22Å; L21-A99 HydrophobicContact CD1-CB 3.98Å; L21-A99 HydrophobicContact CG-CB 4.49Å; L95-A99 WeakPolarHBondContact O-CB 3.19Å; L95-A99 PolarHBondContact O-N 2.78Å; G96-A99 PolarHBondContact O-N 2.98Å; A97-A99 VanDerWaalsContact C-N 3.32Å; A97-A99 PolarHBondContact O-N 3.21Å; A99-A102 PolarHBondContact O-N 3.32Å; A99-L103 VanDerWaalsContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CB 3.35Å; A99-L103 PolarHBondContact O-N 3.38Å
100G98.5Very high97.5Very high0 Ų042.5 Ų42.50%025%0.254CS..Hα-helixtrans-65.1-43.4176.600000112.9G96 A97 V98 L104G96-G100 PolarHBondContact O-N 3.15Å; A97-G100 PolarHBondContact O-N 2.98Å; A97-G100 VanDerWaalsContact O-N 3.16Å; V98-G100 VanDerWaalsContact C-N 3.34Å; V98-G100 PolarHBondContact O-N 3.45Å; G100-L104 WeakPolarHBondContact O-CB 3.31Å; G100-L104 PolarHBondContact O-N 3.42Å
101A97.8Very high97Very high0 Ų047.1 Ų47.10%028%0.277CS..Hα-helixtrans-67.5-40.3175.400000112.4V24 L28 A97 V98 L104 H105 L116 A236 V240V24-A101 HydrophobicContact CG1-CB 4.05Å; L28-A101 HydrophobicContact CD1-CB 3.92Å; A97-A101 PolarHBondContact O-N 2.84Å; V98-A101 PolarHBondContact O-N 3.47Å; A101-L104 PolarHBondContact O-N 2.82Å; A101-H105 WeakPolarHBondContact O-CB 3.26Å; A101-H105 PolarHBondContact O-N 2.89Å; A101-L116 HydrophobicContact CB-CD2 4.24Å; A101-A236 HydrophobicContact CB-CB 3.78Å; A101-V240 HydrophobicContact CB-CG2 3.9Å
102A98Very high96.6Very high39 Ų3945.9 Ų45.932%0.32226%0.264SS..Hα-helixtrans-64.5-43.2175.900000111.3V98 A99 L104 H105 E106 V240V98-A102 VanDerWaalsContact O-CB 3.3Å; V98-A102 WeakPolarHBondContact O-CB 3.4Å; V98-A102 PolarHBondContact O-N 2.73Å; A99-A102 PolarHBondContact O-N 3.32Å; A102-L104 VanDerWaalsContact C-N 3.33Å; A102-L104 PolarHBondContact O-N 2.86Å; A102-H105 WeakPolarHBondContact O-CB 3.45Å; A102-H105 PolarHBondContact O-N 3.03Å; A102-E106 WeakPolarHBondContact O-CG 3.47Å; A102-E106 PolarHBondContact O-N 3.05Å; A102-V240 HydrophobicContact CB-CG2 4.29Å
103L98.4Very high96Very high87 Ų8748.4 Ų48.446%0.45527%0.272SS..Hα-helixtrans-60.4-44.2175-171.673.1000111.2F25 A99 E106 I107F25-L103 HydrophobicContact CD2-CB 4.28Å; F25-L103 HydrophobicContact CD2-CD2 3.93Å; F25-L103 HydrophobicContact CD2-CG 4.23Å; F25-L103 HydrophobicContact CE2-CD2 3.9Å; F25-L103 HydrophobicContact CE2-CG 4.07Å; A99-L103 VanDerWaalsContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CB 3.35Å; A99-L103 PolarHBondContact O-N 3.38Å; L103-E106 PolarHBondContact O-N 3.48Å; L103-I107 WeakPolarHBondContact O-CG1 3.44Å; L103-I107 PolarHBondContact O-N 2.67Å; L103-I107 VanDerWaalsContact O-N 3.16Å
104L97.1Very high95.3Very high5 Ų551.6 Ų51.63%0.02631%0.305CS..Hα-helixtrans-60-46.8175.3-179.765.1000111.4F25 L28 G29 G100 A101 A102 E106 I107 T108 L116F25-L104 HydrophobicContact CD2-CB 3.97Å; F25-L104 HydrophobicContact CE2-CB 4.34Å; F25-L104 HydrophobicContact CE2-CD1 4.39Å; L28-L104 HydrophobicContact CB-CD2 3.46Å; L28-L104 VanDerWaalsContact CB-CD2 3.46Å; L28-L104 HydrophobicContact CD1-CD2 4.49Å; G29-L104 VanDerWaalsContact N-CD2 3.35Å; G100-L104 WeakPolarHBondContact O-CB 3.31Å; G100-L104 PolarHBondContact O-N 3.42Å; A101-L104 PolarHBondContact O-N 2.82Å; A102-L104 VanDerWaalsContact C-N 3.33Å; A102-L104 PolarHBondContact O-N 2.86Å; L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 3.21Å; L104-I107 HydrophobicContact CD1-CD1 4.33Å; L104-I107 HydrophobicContact CD1-CG1 4.37Å; L104-I107 VanDerWaalsContact O-CG1 3.32Å; L104-I107 WeakPolarHBondContact O-CG1 3.29Å; L104-I107 PolarHBondContact O-N 3.16Å; L104-T108 WeakPolarHBondContact CD1-OG1 3.26Å; L104-T108 WeakPolarHBondContact O-CB 3.34Å; L104-T108 PolarHBondContact O-N 3.32Å; L104-T108 PolarHBondContact O-OG1 3.45Å; L104-L116 HydrophobicContact CD2-CD1 3.94Å; L104-L116 HydrophobicContact CD2-CG 4.5Å; L104-L116 HydrophobicContact CG-CD1 4.09Å
105H96Very high94.5Very high56 Ų5652.3 Ų52.326%0.25931%0.309SS..Hα-helixtrans-55.2-44.1176.8174.3-88.9000111.9A101 A102 R113 L116 V240A101-H105 WeakPolarHBondContact O-CB 3.26Å; A101-H105 PolarHBondContact O-N 2.89Å; A102-H105 WeakPolarHBondContact O-CB 3.45Å; A102-H105 PolarHBondContact O-N 3.03Å; H105-R113 PolarHBondContact CE1-NH1 3.11Å; H105-R113 PolarHBondContact NE2-NH1 3.28Å; H105-R113 PolarHBondContact O-NE 3.44Å; H105-R113 PolarHBondContact O-NH2 3.23Å; H105-L116 HydrophobicContact CB-CD2 4.28Å; H105-V240 HydrophobicContact CB-CG1 3.86Å
106E97.1Very high93.8Very high133 Ų13346.9 Ų46.962%0.62128%0.281SS*.Hα-helixtrans-66.2-40.7179.6-69-51.8125.100113.2A102 L103 L104A102-E106 WeakPolarHBondContact O-CG 3.47Å; A102-E106 PolarHBondContact O-N 3.05Å; L103-E106 PolarHBondContact O-N 3.48Å; L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 3.21Å
107I96.9Very high93.1Very high102 Ų10247.5 Ų47.552%0.52329%0.286SS..Hα-helixtrans-81.9-24.6-175.865.6159.6000113.9F25 L103 L104F25-I107 HydrophobicContact CE2-CD1 3.36Å; F25-I107 HydrophobicContact CE2-CG1 4.12Å; F25-I107 HydrophobicContact CZ-CD1 3.32Å; L103-I107 WeakPolarHBondContact O-CG1 3.44Å; L103-I107 PolarHBondContact O-N 2.67Å; L103-I107 VanDerWaalsContact O-N 3.16Å; L104-I107 HydrophobicContact CD1-CD1 4.33Å; L104-I107 HydrophobicContact CD1-CG1 4.37Å; L104-I107 VanDerWaalsContact O-CG1 3.32Å; L104-I107 WeakPolarHBondContact O-CG1 3.29Å; L104-I107 PolarHBondContact O-N 3.16Å
108T94.5Very high92.2Very high6 Ų648.6 Ų48.64%0.03729%0.292CS..SBendtrans-80.2137.9-177.1-59.40000110L32 L104 I112 R113L32-T108 HydrophobicContact CD1-CG2 3.82Å; L104-T108 WeakPolarHBondContact CD1-OG1 3.26Å; L104-T108 WeakPolarHBondContact O-CB 3.34Å; L104-T108 PolarHBondContact O-N 3.32Å; L104-T108 PolarHBondContact O-OG1 3.45Å; T108-I112 HydrophobicContact CG2-CB 4.09Å; T108-I112 HydrophobicContact CG2-CG2 4.29Å; T108-R113 HydrophobicContact CG2-CG 3.86Å; T108-R113 PolarHBondContact O-NE 3.45Å; T108-R113 PolarHBondContact O-NH2 2.91Å
109P94.5Very high91.3Very high64 Ų6446.8 Ų46.842%0.41628%0.281SS..  trans-60.3142.4171.8-26.637.2000113.2D111 I112 R113P109-D111 WeakPolarHBondContact CB-OD1 3.39Å; P109-D111 PolarHBondContact O-N 3.35Å; P109-D111 VanDerWaalsContact O-N 3.15Å; P109-I112 HydrophobicContact CG-CD1 4.46Å; P109-I112 PolarHBondContact O-N 2.95Å; P109-R113 WeakPolarHBondContact O-CG 3.4Å; P109-R113 PolarHBondContact O-N 3.4Å; P109-R113 VanDerWaalsContact O-N 3.13Å
110A91.4Very high89.9Confident78 Ų7847.7 Ų47.765%0.64529%0.288SS*.Hα-helixtrans-60.3-28.3-17200000114.4I112A110-I112 VanDerWaalsContact C-N 3.33Å
111D88.9Confident88Confident132 Ų13248.8 Ų48.871%0.70630%0.295SS*.Hα-helixtrans-69.7-25.7176.156-50.1000113.6P109P109-D111 WeakPolarHBondContact CB-OD1 3.39Å; P109-D111 PolarHBondContact O-N 3.35Å; P109-D111 VanDerWaalsContact O-N 3.15Å
112I89.2Confident86Confident20 Ų2049.9 Ų49.910%0.10331%0.307CS..Hα-helixtrans-101.9-25-177.4-54.6176.2000111.8L32 W34 P35 T108 P109 A110 G114L32-I112 HydrophobicContact CB-CG2 4.45Å; W34-I112 HydrophobicContact CD2-CG2 4.15Å; W34-I112 HydrophobicContact CE3-CD1 3.91Å; W34-I112 HydrophobicContact CE3-CG2 3.86Å; W34-I112 HydrophobicContact CZ3-CD1 3.91Å; W34-I112 HydrophobicContact CZ3-CG2 4.1Å; P35-I112 HydrophobicContact CG-CD1 4.49Å; P35-I112 HydrophobicContact CG-CG1 4.43Å; T108-I112 HydrophobicContact CG2-CB 4.09Å; T108-I112 HydrophobicContact CG2-CG2 4.29Å; P109-I112 HydrophobicContact CG-CD1 4.46Å; P109-I112 PolarHBondContact O-N 2.95Å; A110-I112 VanDerWaalsContact C-N 3.33Å; I112-G114 PolarHBondContact O-N 3.42Å; I112-G114 VanDerWaalsContact O-N 3.12Å
113R85.7Confident83.6Confident60 Ų6056.6 Ų56.623%0.22633%0.331CS..Hα-helixtrans-49.3-42.8-176.7-75.7173-160.3-174.3-3.4113H105 T108 P109 D115 L116H105-R113 PolarHBondContact CE1-NH1 3.11Å; H105-R113 PolarHBondContact NE2-NH1 3.28Å; H105-R113 PolarHBondContact O-NE 3.44Å; H105-R113 PolarHBondContact O-NH2 3.23Å; T108-R113 HydrophobicContact CG2-CG 3.86Å; T108-R113 PolarHBondContact O-NE 3.45Å; T108-R113 PolarHBondContact O-NH2 2.91Å; P109-R113 WeakPolarHBondContact O-CG 3.4Å; P109-R113 PolarHBondContact O-N 3.4Å; P109-R113 VanDerWaalsContact O-N 3.13Å; R113-D115 PolarHBondContact O-N 3.32Å; R113-L116 WeakPolarHBondContact O-CA 3.38Å; R113-L116 PolarHBondContact O-N 2.82Å
114G85.4Confident81Confident67 Ų6759.1 Ų59.169%0.69134%0.341SS*.THydrogen-bonded Turntrans51.9-125.5178.700000112.4I112I112-G114 PolarHBondContact O-N 3.42Å; I112-G114 VanDerWaalsContact O-N 3.12Å
115D81.7Confident78.7Confident55 Ų5563.7 Ų63.729%0.29437%0.369SS..THydrogen-bonded Turntrans-94.210.7175.165.4-0.9000113.7R113 A117 V118R113-D115 PolarHBondContact O-N 3.32Å; D115-A117 PolarHBondContact O-N 2.86Å; D115-A117 VanDerWaalsContact O-N 3.16Å; D115-A117 PolarHBondContact OD1-N 2.85Å; D115-V118 WeakPolarHBondContact O-CG2 3.23Å; D115-V118 PolarHBondContact O-N 2.7Å; D115-V118 VanDerWaalsContact O-N 3.17Å
116L84.5Confident76.4Confident2 Ų261.7 Ų61.71%0.0136%0.361CS..THydrogen-bonded Turntrans53.931-177.8-154.268.3000113.6L32 A101 L104 H105 R113 V118 P237 V240 T241L32-L116 HydrophobicContact CD2-CD1 4.4Å; A101-L116 HydrophobicContact CB-CD2 4.24Å; L104-L116 HydrophobicContact CD2-CD1 3.94Å; L104-L116 HydrophobicContact CD2-CG 4.5Å; L104-L116 HydrophobicContact CG-CD1 4.09Å; H105-L116 HydrophobicContact CB-CD2 4.28Å; R113-L116 WeakPolarHBondContact O-CA 3.38Å; R113-L116 PolarHBondContact O-N 2.82Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 PolarHBondContact O-N 3.48Å; L116-P237 HydrophobicContact CB-CB 4.31Å; L116-P237 HydrophobicContact CD2-CB 4.35Å; L116-P237 HydrophobicContact CG-CB 4.45Å; L116-P237 WeakPolarHBondContact O-CB 3.39Å; L116-V240 HydrophobicContact CD2-CB 4.02Å; L116-V240 HydrophobicContact CD2-CG1 3.7Å; L116-T241 HydrophobicContact CB-CG2 3.61Å; L116-T241 HydrophobicContact CD2-CG2 4.28Å
117A83.8Confident74Confident13 Ų1361.3 Ų61.311%0.10736%0.362CS..THydrogen-bonded Turntrans5639.6-17800000113.5L28 A31 L32 D115 R233L28-A117 HydrophobicContact CD2-CB 4Å; A31-A117 HydrophobicContact CB-CB 3.9Å; L32-A117 HydrophobicContact CD2-CB 4.35Å; D115-A117 PolarHBondContact O-N 2.86Å; D115-A117 VanDerWaalsContact O-N 3.16Å; D115-A117 PolarHBondContact OD1-N 2.85Å; A117-R233 PolarHBondContact O-NH1 3.12Å
118V79.4Confident71.4Confident24 Ų2462.2 Ų62.215%0.14537%0.367CS..  trans-56.4138.7168164.90000110.3D115 L116 P237 T241 K243D115-V118 WeakPolarHBondContact O-CG2 3.23Å; D115-V118 PolarHBondContact O-N 2.7Å; D115-V118 VanDerWaalsContact O-N 3.17Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 PolarHBondContact O-N 3.48Å; V118-P237 HydrophobicContact CG2-CB 3.68Å; V118-P237 HydrophobicContact CG2-CG 4.13Å; V118-T241 HydrophobicContact CG2-CG2 4.4Å; V118-T241 WeakPolarHBondContact CG2-OG1 3.45Å; V118-K243 HydrophobicContact CG1-CB 4.21Å; V118-K243 HydrophobicContact CG2-CB 4.47Å
119N78.8Confident69Low5 Ų564.4 Ų64.43%0.02738%0.383CS..  trans-72.2133.5172.6-66.7107.1000110.4T225 G226 C227 R233 S234 F250N119-T225 WeakPolarHBondContact CB-O 3.49Å; N119-T225 PolarHBondContact ND2-O 3.42Å; N119-G226 PolarHBondContact ND2-O 2.96Å; N119-C227 PolarHBondContact ND2-O 2.99Å; N119-R233 PolarHBondContact OD1-NH1 2.94Å; N119-R233 VanDerWaalsContact OD1-NH1 3.16Å; N119-S234 WeakPolarHBondContact OD1-CB 3.21Å; N119-S234 PolarHBondContact OD1-OG 2.87Å; N119-F250 HydrophobicContact CB-CD1 4.09Å; N119-F250 HydrophobicContact CB-CD2 3.96Å; N119-F250 HydrophobicContact CB-CE1 3.74Å; N119-F250 HydrophobicContact CB-CE2 3.57Å; N119-F250 HydrophobicContact CB-CG 4.22Å; N119-F250 HydrophobicContact CB-CZ 3.45Å; N119-F250 VanDerWaalsContact CB-CZ 3.45Å; N119-F250 WeakPolarHBondContact O-CE2 3.44Å
120A69.8Low66.8Low53 Ų5364.9 Ų64.944%0.43838%0.381SS..  trans-143139.8175.500000109.8G122 T225A120-G122 PolarHBondContact O-N 2.94Å; A120-T225 CarbonylContact O-C 3.49Å; A120-T225 WeakPolarHBondContact O-CA 3.18Å
121P58.1Low64.7Low23 Ų2364.3 Ų64.315%0.14937%0.373CS..SBendtrans-64.5123.4171.3-2033.3000111.1A176 D246P121-A176 HydrophobicContact CB-CB 4.4Å; P121-D246 HydrophobicContact CG-CB 3.53Å
122G55.8Low62.6Low23 Ų2363.2 Ų63.224%0.23737%0.366CS..  trans74.892162.300000116.9A120 Y224A120-G122 PolarHBondContact O-N 2.94Å; G122-Y224 PolarHBondContact N-O 3.39Å
123Q48Very low60.5Low180 Ų18066.1 Ų66.184%0.84138%0.379SS*.SBendtrans-130.4-7.4152.4-109.9177.8-9.100116.3
124Q44.9Very low58.7Low141 Ų14170.1 Ų70.166%0.65940%0.395SS*.SBendtrans-153.5114.8170.9-90124.717.700112.8H223Q124-H223 CarbonylContact C-O 3.48Å; Q124-H223 CarbonylContact O-C 3.48Å; Q124-H223 WeakPolarHBondContact O-CA 3.37Å; Q124-H223 WeakPolarHBondContact O-CB 3.38Å
125V47.6Very low57Low100 Ų10074.8 Ų74.861%0.60640%0.397SS*.  trans-49.2146.9169.7-103.30000112.5
126P48.2Very low55.2Low14 Ų1477.5 Ų77.59%0.09141%0.411CS..  trans-67.6138.1177.129.8-37.7000112L128 C129 H223 Y224P126-L128 PolarHBondContact O-N 3.14Å; P126-C129 HydrophobicContact CG-CB 4.29Å; P126-C129 PolarHBondContact O-N 2.99Å; P126-H223 HydrophobicContact CB-CB 4.35Å; P126-Y224 HydrophobicContact CB-CE2 4.35Å; P126-Y224 HydrophobicContact CG-CE1 4.41Å; P126-Y224 HydrophobicContact CG-CE2 4.38Å; P126-Y224 WeakPolarHBondContact CG-OH 3.22Å
127L47.1Very low53.5Low126 Ų12680.4 Ų80.466%0.6644%0.435SS*.Hα-helixtrans-50.6-22.7169.3-92.9137.2000114L130 S131L127-L130 PolarHBondContact O-N 3.28Å; L127-S131 WeakPolarHBondContact O-CB 3.3Å; L127-S131 PolarHBondContact O-N 3.47Å; L127-S131 PolarHBondContact O-OG 2.98Å
128L42.7Very low51.7Low120 Ų12084.6 Ų84.663%0.62846%0.462SS*.Hα-helixtrans-71.7-29.8178.5-121.7132.5000113.4P126 S131 L132P126-L128 PolarHBondContact O-N 3.14Å; L128-S131 PolarHBondContact O-OG 3.41Å; L128-L132 PolarHBondContact O-N 3.38Å
129C43.4Very low50Low53 Ų5387.2 Ų87.236%0.35848%0.482SS..Hα-helixtrans-76.4-38.3172.8-159.90000110.2P126 Q133P126-C129 HydrophobicContact CG-CB 4.29Å; P126-C129 PolarHBondContact O-N 2.99Å; C129-Q133 VanDerWaalsContact O-CB 3.28Å; C129-Q133 WeakPolarHBondContact O-CB 3.38Å; C129-Q133 WeakPolarHBondContact O-CG 3.4Å; C129-Q133 PolarHBondContact O-N 2.96Å; C129-Q133 PolarHBondContact O-OE1 2.94Å
130L48.4Very low48.2Very low74 Ų7493.2 Ų93.239%0.38751%0.512SS..Hα-helixtrans-64.1-42.5174.1-81.5157.1000112.3L127 Q133 Y134L127-L130 PolarHBondContact O-N 3.28Å; L130-Q133 PolarHBondContact O-N 2.83Å; L130-Y134 VanDerWaalsContact O-CB 3.26Å; L130-Y134 WeakPolarHBondContact O-CB 3.32Å; L130-Y134 PolarHBondContact O-N 2.85Å
131S47.3Very low46.8Very low66 Ų6696.5 Ų96.546%0.46253%0.53SS..Hα-helixtrans-70.5-41-178.260.40000112.9L127 L128 Y134 F135L127-S131 WeakPolarHBondContact O-CB 3.3Å; L127-S131 PolarHBondContact O-N 3.47Å; L127-S131 PolarHBondContact O-OG 2.98Å; L128-S131 PolarHBondContact O-OG 3.41Å; S131-Y134 PolarHBondContact O-N 3.46Å; S131-F135 WeakPolarHBondContact O-CB 3.13Å; S131-F135 PolarHBondContact O-N 3.32Å
132L44.1Very low46.3Very low108 Ų10898 Ų9857%0.56555%0.548SS*.Hα-helixtrans-65.8-37.5173.4-93.6154.1000112.2L128 L136L128-L132 PolarHBondContact O-N 3.38Å; L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 WeakPolarHBondContact O-CD1 3.21Å; L132-L136 WeakPolarHBondContact O-CG 3.43Å; L132-L136 PolarHBondContact O-N 3.5Å
133Q46.8Very low45.5Very low81 Ų81103.2 Ų103.238%0.37958%0.579SS.*Hα-helixtrans-75.6-33.4176-77166.2-5.300113.1C129 L130 F135 L136 A137C129-Q133 VanDerWaalsContact O-CB 3.28Å; C129-Q133 WeakPolarHBondContact O-CB 3.38Å; C129-Q133 WeakPolarHBondContact O-CG 3.4Å; C129-Q133 PolarHBondContact O-N 2.96Å; C129-Q133 PolarHBondContact O-OE1 2.94Å; L130-Q133 PolarHBondContact O-N 2.83Å; Q133-F135 VanDerWaalsContact C-N 3.33Å; Q133-L136 PolarHBondContact O-N 2.78Å; Q133-A137 WeakPolarHBondContact O-CB 3.45Å; Q133-A137 PolarHBondContact O-N 3.33Å
134Y47.6Very low45.3Very low145 Ų145103.5 Ų103.557%0.56959%0.585SS**Hα-helixtrans-65-40.5171.3-139.1-92000110.6L130 S131 A137 C138L130-Y134 VanDerWaalsContact O-CB 3.26Å; L130-Y134 WeakPolarHBondContact O-CB 3.32Å; L130-Y134 PolarHBondContact O-N 2.85Å; S131-Y134 PolarHBondContact O-N 3.46Å; Y134-A137 PolarHBondContact O-N 3Å; Y134-C138 WeakPolarHBondContact O-CB 3.18Å; Y134-C138 PolarHBondContact O-N 3.4Å
135F48.5Very low45.1Very low165 Ų165103.4 Ų103.472%0.72459%0.589SS**Hα-helixtrans-65.4-40.2175.2-136.6-91.5000112S131 Q133 S139S131-F135 WeakPolarHBondContact O-CB 3.13Å; S131-F135 PolarHBondContact O-N 3.32Å; Q133-F135 VanDerWaalsContact C-N 3.33Å; F135-S139 PolarHBondContact O-N 2.72Å; F135-S139 PolarHBondContact O-OG 3.42Å
136L45.4Very low44.7Very low112 Ų112107.4 Ų107.459%0.58660%0.598SS**Hα-helixtrans-70.2-38.5174.8-81.6158.5000112.7L132 Q133 S139L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 WeakPolarHBondContact O-CD1 3.21Å; L132-L136 WeakPolarHBondContact O-CG 3.43Å; L132-L136 PolarHBondContact O-N 3.5Å; Q133-L136 PolarHBondContact O-N 2.78Å; L136-S139 WeakPolarHBondContact O-CB 3.4Å; L136-S139 PolarHBondContact O-N 3.34Å; L136-S139 VanDerWaalsContact O-N 3.09Å
137A47.3Very low44.1Very low63 Ų63112.2 Ų112.252%0.52163%0.632SS.*Hα-helixtrans-69.5-36.8177.800000112.3Q133 Y134 S139 I140Q133-A137 WeakPolarHBondContact O-CB 3.45Å; Q133-A137 PolarHBondContact O-N 3.33Å; Y134-A137 PolarHBondContact O-N 3Å; A137-S139 PolarHBondContact O-N 3.05Å; A137-I140 PolarHBondContact O-N 3.16Å
138C46.2Very low43.7Very low100 Ų100112 Ų11268%0.67664%0.638SS**THydrogen-bonded Turntrans-68.8-12.8169.3-79.70000113.6Y134Y134-C138 WeakPolarHBondContact O-CB 3.18Å; Y134-C138 PolarHBondContact O-N 3.4Å
139S43.4Very low43.5Very low79 Ų79111.9 Ų111.955%0.55264%0.638SS**THydrogen-bonded Turntrans-94.9-1.1179.5-58.70000113.8F135 L136 A137 P141F135-S139 PolarHBondContact O-N 2.72Å; F135-S139 PolarHBondContact O-OG 3.42Å; L136-S139 WeakPolarHBondContact O-CB 3.4Å; L136-S139 PolarHBondContact O-N 3.34Å; L136-S139 VanDerWaalsContact O-N 3.09Å; A137-S139 PolarHBondContact O-N 3.05Å; S139-P141 VanDerWaalsContact O-CD 3.3Å; S139-P141 WeakPolarHBondContact O-CD 3.33Å
140I41.9Very low43.6Very low131 Ų131116.5 Ų116.567%0.67266%0.664SS**SBendtrans-90.3110.8173.7-56.8174.6000108.2A137 G142A137-I140 PolarHBondContact O-N 3.16Å; I140-G142 PolarHBondContact O-N 2.88Å; I140-G142 VanDerWaalsContact O-N 3.08Å
141P39.9Very low43.2Very low123 Ų123117.2 Ų117.280%0.79968%0.676SS**  trans-69.2109.6176.725.3-30.1000110.2S139S139-P141 VanDerWaalsContact O-CD 3.3Å; S139-P141 WeakPolarHBondContact O-CD 3.33Å
142G48.6Very low42.8Very low53 Ų53118.4 Ų118.455%0.54668%0.677SS.*  trans-76163.7162.700000111.3I140 L144I140-G142 PolarHBondContact O-N 2.88Å; I140-G142 VanDerWaalsContact O-N 3.08Å; G142-L144 PolarHBondContact O-N 3.46Å
143P39.3Very low42.6Very low134 Ų134121.5 Ų121.587%0.8769%0.686SS**  trans-58.2129-178.1-19.430.4000111.8D145P143-D145 VanDerWaalsContact C-N 3.25Å; P143-D145 PolarHBondContact O-N 3.18Å
144L43.8Very low41.9Very low186 Ų186121.3 Ų121.397%0.97469%0.694SS**SBendtrans-66.478.2170.7-80.4157.7000110.3G142G142-L144 PolarHBondContact O-N 3.46Å
145D39Very low41.4Very low139 Ų139118.2 Ų118.274%0.74369%0.692SS**  trans-154.3129.3153.9-156.6-6.6000110P143P143-D145 VanDerWaalsContact C-N 3.25Å; P143-D145 PolarHBondContact O-N 3.18Å
146K40.3Very low40.9Very low183 Ų183115.2 Ų115.280%0.79669%0.688SS**  trans90.8103.7-175.3-53178.2-177.8-1790115.5
147S35Very low40.6Very low116 Ų116115.1 Ų115.181%0.81169%0.686SS**PPolyproline II helixtrans-50.3125.7160.432.80000110.3D149S147-D149 PolarHBondContact O-N 2.94Å
148P39.2Very low39.8Very low120 Ų120114.9 Ų114.978%0.77968%0.681SS**PPolyproline II helixtrans-74.2123.4-179.428-30.3000109.7V150P148-V150 PolarHBondContact O-N 3.43Å
149D37.3Very low39.4Very low118 Ų118113.7 Ų113.763%0.63167%0.671SS**PPolyproline II helixtrans-70117.2169.2-166.9-18.3000108.9S147 S151S147-D149 PolarHBondContact O-N 2.94Å; D149-S151 VanDerWaalsContact CG-OG 3.27Å; D149-S151 PolarHBondContact O-N 3.48Å; D149-S151 VanDerWaalsContact O-N 3.15Å; D149-S151 PolarHBondContact OD1-N 2.84Å; D149-S151 PolarHBondContact OD1-OG 3.32Å; D149-S151 PolarHBondContact OD2-OG 2.91Å
150V45.6Very low39.1Very low150 Ų150112.6 Ų112.691%0.90967%0.666SS**THydrogen-bonded Turntrans-70-4.4-177.1169.20000112.3P148P148-V150 PolarHBondContact O-N 3.43Å
151S41.2Very low38.7Very low89 Ų89110.1 Ų110.162%0.62266%0.657SS**THydrogen-bonded Turntrans-97.9-5.1-177.366.50000115.2D149 K153D149-S151 VanDerWaalsContact CG-OG 3.27Å; D149-S151 PolarHBondContact O-N 3.48Å; D149-S151 VanDerWaalsContact O-N 3.15Å; D149-S151 PolarHBondContact OD1-N 2.84Å; D149-S151 PolarHBondContact OD1-OG 3.32Å; D149-S151 PolarHBondContact OD2-OG 2.91Å; S151-K153 PolarHBondContact O-N 2.79Å
152D37.9Very low38.1Very low91 Ų91113.5 Ų113.549%0.48765%0.654SS.*  trans-89.592.9-177.5-161.7-3.6000112.5S154 C155D152-S154 PolarHBondContact O-N 3.37Å; D152-S154 WeakPolarHBondContact OD1-CB 3.42Å; D152-S154 PolarHBondContact OD1-N 3.29Å; D152-S154 VanDerWaalsContact OD1-N 3.1Å; D152-C155 PolarHBondContact O-N 3.4Å
153K39.9Very low37.5Very low173 Ų173114.3 Ų114.375%0.75265%0.648SS**Hα-helixtrans-56.6-18.6174.4-64.3-178.1-178.7178.60112.8S151 I157S151-K153 PolarHBondContact O-N 2.79Å; K153-I157 WeakPolarHBondContact O-CD1 3.31Å; K153-I157 VanDerWaalsContact O-CG1 3.23Å; K153-I157 WeakPolarHBondContact O-CG1 3.42Å; K153-I157 PolarHBondContact O-N 2.93Å
154S33.5Very low37.2Very low78 Ų78112.6 Ų112.655%0.54564%0.639SS.*Hα-helixtrans-73.5-32.5-179.7-154.70000112.8D152 S158D152-S154 PolarHBondContact O-N 3.37Å; D152-S154 WeakPolarHBondContact OD1-CB 3.42Å; D152-S154 PolarHBondContact OD1-N 3.29Å; D152-S154 VanDerWaalsContact OD1-N 3.1Å; S154-S158 VanDerWaalsContact O-CB 3.29Å; S154-S158 WeakPolarHBondContact O-CB 3.42Å; S154-S158 PolarHBondContact O-N 3.36Å
155C35.3Very low36.5Very low80 Ų80107.6 Ų107.654%0.54163%0.625SS.*Hα-helixtrans-75.3-41.9-179.5-166.80000112.1D152 I157 S158 V159D152-C155 PolarHBondContact O-N 3.4Å; C155-I157 VanDerWaalsContact C-N 3.32Å; C155-I157 PolarHBondContact O-N 3.39Å; C155-S158 PolarHBondContact O-N 3.48Å; C155-V159 WeakPolarHBondContact O-CG2 3.33Å; C155-V159 PolarHBondContact O-N 2.82Å
156T38.1Very low35.9Very low102 Ų102109.3 Ų109.363%0.62663%0.629SS**Hα-helixtrans-63.3-39.1174.4-46.50000111.6A160T156-A160 VanDerWaalsContact O-CB 3.26Å; T156-A160 WeakPolarHBondContact O-CB 3.22Å; T156-A160 PolarHBondContact O-N 3.04Å; T156-A160 VanDerWaalsContact O-N 3.11Å
157I40.6Very low35.5Very low109 Ų109106.3 Ų106.356%0.55962%0.621SS**Hα-helixtrans-65.1-53.2172.8-69.1169.2000109K153 C155 V159 A160 T161K153-I157 WeakPolarHBondContact O-CD1 3.31Å; K153-I157 VanDerWaalsContact O-CG1 3.23Å; K153-I157 WeakPolarHBondContact O-CG1 3.42Å; K153-I157 PolarHBondContact O-N 2.93Å; C155-I157 VanDerWaalsContact C-N 3.32Å; C155-I157 PolarHBondContact O-N 3.39Å; I157-V159 VanDerWaalsContact C-N 3.31Å; I157-V159 PolarHBondContact O-N 2.83Å; I157-A160 CarbonylContact O-C 3.59Å; I157-A160 WeakPolarHBondContact O-CA 3.44Å; I157-A160 WeakPolarHBondContact O-CB 3.08Å; I157-A160 PolarHBondContact O-N 2.94Å; I157-T161 PolarHBondContact O-N 3.43Å; I157-T161 PolarHBondContact O-OG1 2.89Å
158S29.3Very low35.5Very low59 Ų59105.5 Ų105.541%0.41362%0.615SS.*Hα-helixtrans-60.6-32.5-174.9-157.70000114.6S154 C155 R162S154-S158 VanDerWaalsContact O-CB 3.29Å; S154-S158 WeakPolarHBondContact O-CB 3.42Å; S154-S158 PolarHBondContact O-N 3.36Å; C155-S158 PolarHBondContact O-N 3.48Å; S158-R162 WeakPolarHBondContact O-CB 3.34Å; S158-R162 VanDerWaalsContact O-CG 3.27Å; S158-R162 WeakPolarHBondContact O-CG 3.47Å; S158-R162 PolarHBondContact O-N 3.37Å
159V38.9Very low36Very low75 Ų75106.5 Ų106.546%0.45561%0.614SS.*Hα-helixtrans-74-42.7171.7177.60000111.2C155 I157 T161 R162 V163C155-V159 WeakPolarHBondContact O-CG2 3.33Å; C155-V159 PolarHBondContact O-N 2.82Å; I157-V159 VanDerWaalsContact C-N 3.31Å; I157-V159 PolarHBondContact O-N 2.83Å; V159-T161 VanDerWaalsContact C-N 3.33Å; V159-T161 PolarHBondContact O-N 3.1Å; V159-R162 PolarHBondContact O-N 3.44Å; V159-V163 WeakPolarHBondContact O-CG2 3.33Å; V159-V163 PolarHBondContact O-N 2.99Å
160A37.7Very low37.4Very low55 Ų55105 Ų10546%0.45561%0.613SS.*Hα-helixtrans-61.6-39.417300000112.1T156 I157 S164T156-A160 VanDerWaalsContact O-CB 3.26Å; T156-A160 WeakPolarHBondContact O-CB 3.22Å; T156-A160 PolarHBondContact O-N 3.04Å; T156-A160 VanDerWaalsContact O-N 3.11Å; I157-A160 CarbonylContact O-C 3.59Å; I157-A160 WeakPolarHBondContact O-CA 3.44Å; I157-A160 WeakPolarHBondContact O-CB 3.08Å; I157-A160 PolarHBondContact O-N 2.94Å; A160-S164 WeakPolarHBondContact O-CB 3.18Å; A160-S164 PolarHBondContact O-N 3.17Å; A160-S164 PolarHBondContact O-OG 3.02Å
161T33.1Very low38.7Very low80 Ų8098.9 Ų98.949%0.49158%0.576SS.*Hα-helixtrans-71.8-31.3177.4-22.90000112.1I157 V159 A165I157-T161 PolarHBondContact O-N 3.43Å; I157-T161 PolarHBondContact O-OG1 2.89Å; V159-T161 VanDerWaalsContact C-N 3.33Å; V159-T161 PolarHBondContact O-N 3.1Å; T161-A165 PolarHBondContact O-N 3.25Å
162R27.4Very low40.9Very low193 Ų19398.3 Ų98.373%0.72857%0.569SS**Hα-helixtrans-76.8-34.5175.3-77.7-179.1-177.6-143.90.8113S158 V159 S164 A165S158-R162 WeakPolarHBondContact O-CB 3.34Å; S158-R162 VanDerWaalsContact O-CG 3.27Å; S158-R162 WeakPolarHBondContact O-CG 3.47Å; S158-R162 PolarHBondContact O-N 3.37Å; V159-R162 PolarHBondContact O-N 3.44Å; R162-S164 VanDerWaalsContact C-N 3.31Å; R162-A165 PolarHBondContact O-N 3.5Å
163V36.3Very low43.3Very low70 Ų7095.1 Ų95.142%0.42456%0.555SS.*Hα-helixtrans-68.9-33.1170.9175.30000110.9V159 A165V159-V163 WeakPolarHBondContact O-CG2 3.33Å; V159-V163 PolarHBondContact O-N 2.99Å; V163-A165 PolarHBondContact O-N 2.87Å
164S33Very low45.6Very low98 Ų9888.9 Ų88.969%0.68554%0.54SS*.THydrogen-bonded Turntrans-67.5-18.2174.2-54.90000113.9A160 R162A160-S164 WeakPolarHBondContact O-CB 3.18Å; A160-S164 PolarHBondContact O-N 3.17Å; A160-S164 PolarHBondContact O-OG 3.02Å; R162-S164 VanDerWaalsContact C-N 3.31Å
165A28.8Very low48.3Very low82 Ų8290.3 Ų90.368%0.67854%0.538SS*.THydrogen-bonded Turntrans-98.92.9-172.400000114.9T161 R162 V163T161-A165 PolarHBondContact O-N 3.25Å; R162-A165 PolarHBondContact O-N 3.5Å; V163-A165 PolarHBondContact O-N 2.87Å
166Q26.5Very low50.8Low175 Ų17586.5 Ų86.582%0.81851%0.512SS*.SBendtrans-123.17.3-175.3-94.3-171-23.500117.1
167L30.8Very low53.5Low119 Ų11982.8 Ų82.862%0.62349%0.489SS*.  trans-130.575.5173.8-84.7153000111.5
168S35.7Very low56.1Low100 Ų10081 Ų8170%0.69948%0.483SS*.  trans-68.2139.4150.862.90000108.3
169N48.5Very low59.1Low140 Ų14079.3 Ų79.375%0.74947%0.471SS*.  cis-169.4151.5-1.3-94.1-21.1000105.7
170S67.1Low61.9Low88 Ų8875.8 Ų75.862%0.61545%0.449SS*.  trans52.5118.3154.857.80000119.3T172S170-T172 PolarHBondContact O-N 3.32Å; S170-T172 VanDerWaalsContact O-N 3.11Å
171T73.9Confident64.8Low21 Ų2174.8 Ų74.813%0.12944%0.436CS..  trans-50.8118.8163.1-56.20000109.8Q175 A176 Y224T171-Q175 HydrophobicContact CG2-CB 3.8Å; T171-A176 HydrophobicContact CG2-CB 4.03Å; T171-Y224 HydrophobicContact CG2-CD1 3.93Å
172T87.6Confident67.8Low77 Ų7776.9 Ų76.947%0.47244%0.439SS..  trans-66.8153177.163.10000110.5S170 G174 Q175 A176S170-T172 PolarHBondContact O-N 3.32Å; S170-T172 VanDerWaalsContact O-N 3.11Å; T172-G174 PolarHBondContact O-N 2.89Å; T172-G174 VanDerWaalsContact O-N 3.15Å; T172-Q175 PolarHBondContact O-N 3.41Å; T172-Q175 VanDerWaalsContact OG1-CG 3.29Å; T172-Q175 WeakPolarHBondContact OG1-CG 3.41Å; T172-Q175 PolarHBondContact OG1-N 3.45Å; T172-Q175 PolarHBondContact OG1-OE1 2.89Å; T172-Q175 VanDerWaalsContact OG1-OE1 3.06Å; T172-A176 PolarHBondContact O-N 3.48Å
173A87.9Confident71.2Confident24 Ų2468 Ų6820%0.19841%0.406CS..Hα-helixtrans-55.4-33.9175.700000112.6A176 V177 W248 V249A173-A176 PolarHBondContact O-N 2.88Å; A173-V177 WeakPolarHBondContact O-CB 3.41Å; A173-V177 WeakPolarHBondContact O-CG1 3.12Å; A173-V177 PolarHBondContact O-N 3.24Å; A173-W248 HydrophobicContact CB-CZ2 3.8Å; A173-V249 HydrophobicContact CB-CG2 3.96Å
174G88.7Confident74.1Confident42 Ų4264.7 Ų64.743%0.43339%0.385SS..Hα-helixtrans-65.6-40.3174.100000114T172 V177 T178T172-G174 PolarHBondContact O-N 2.89Å; T172-G174 VanDerWaalsContact O-N 3.15Å; G174-V177 VanDerWaalsContact O-CG1 3.29Å; G174-V177 WeakPolarHBondContact O-CG1 3.46Å; G174-T178 PolarHBondContact O-N 3.07Å; G174-T178 PolarHBondContact O-OG1 3.34Å
175Q89.1Confident77.2Confident107 Ų10761.5 Ų61.550%0.536%0.36SS..Hα-helixtrans-68.4-43.5172.4-73.1165.6-37.400111T171 T172 V177 T178 V179T171-Q175 HydrophobicContact CG2-CB 3.8Å; T172-Q175 PolarHBondContact O-N 3.41Å; T172-Q175 VanDerWaalsContact OG1-CG 3.29Å; T172-Q175 WeakPolarHBondContact OG1-CG 3.41Å; T172-Q175 PolarHBondContact OG1-N 3.45Å; T172-Q175 PolarHBondContact OG1-OE1 2.89Å; T172-Q175 VanDerWaalsContact OG1-OE1 3.06Å; Q175-V177 PolarHBondContact O-N 3.29Å; Q175-T178 WeakPolarHBondContact O-CB 3.44Å; Q175-T178 PolarHBondContact O-N 3.11Å; Q175-V179 WeakPolarHBondContact O-CG2 3.48Å; Q175-V179 PolarHBondContact O-N 2.96Å
176A89.1Confident80.6Confident0 Ų060 Ų600%034%0.339CS..Hα-helixtrans-60.1-46.7179.500000112.2P121 T171 T172 A173 T178 V179 E180 T225 V249P121-A176 HydrophobicContact CB-CB 4.4Å; T171-A176 HydrophobicContact CG2-CB 4.03Å; T172-A176 PolarHBondContact O-N 3.48Å; A173-A176 PolarHBondContact O-N 2.88Å; A176-T178 VanDerWaalsContact C-N 3.29Å; A176-T178 PolarHBondContact O-N 3.29Å; A176-V179 PolarHBondContact O-N 3.49Å; A176-E180 WeakPolarHBondContact O-CG 3.29Å; A176-E180 PolarHBondContact O-N 3.4Å; A176-T225 HydrophobicContact CB-CG2 3.62Å; A176-V249 HydrophobicContact CB-CG1 3.81Å
177V93.6Very high84Confident24 Ų2452 Ų5215%0.14530%0.302CS..Hα-helixtrans-64.9-34.3178.172.90000112A173 G174 Q175 L181 W248 V249 I252A173-V177 WeakPolarHBondContact O-CB 3.41Å; A173-V177 WeakPolarHBondContact O-CG1 3.12Å; A173-V177 PolarHBondContact O-N 3.24Å; G174-V177 VanDerWaalsContact O-CG1 3.29Å; G174-V177 WeakPolarHBondContact O-CG1 3.46Å; Q175-V177 PolarHBondContact O-N 3.29Å; V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 PolarHBondContact O-N 3.03Å; V177-W248 HydrophobicContact CB-CH2 4.46Å; V177-W248 HydrophobicContact CB-CZ3 4.39Å; V177-W248 HydrophobicContact CG1-CH2 4.35Å; V177-W248 HydrophobicContact CG2-CZ3 4.16Å; V177-V249 HydrophobicContact CB-CG1 4.06Å; V177-I252 HydrophobicContact CG2-CB 4.19Å; V177-I252 HydrophobicContact CG2-CG2 4.01Å
178T95Very high87.2Confident72 Ų7246.4 Ų46.444%0.44227%0.273SS..Hα-helixtrans-67.3-42.1175.9-56.60000111.1G174 Q175 A176 L181 F182G174-T178 PolarHBondContact O-N 3.07Å; G174-T178 PolarHBondContact O-OG1 3.34Å; Q175-T178 WeakPolarHBondContact O-CB 3.44Å; Q175-T178 PolarHBondContact O-N 3.11Å; A176-T178 VanDerWaalsContact C-N 3.29Å; A176-T178 PolarHBondContact O-N 3.29Å; T178-L181 WeakPolarHBondContact O-CB 3.36Å; T178-L181 PolarHBondContact O-N 2.88Å; T178-F182 HydrophobicContact CG2-CD2 4.18Å; T178-F182 HydrophobicContact CG2-CE2 3.95Å; T178-F182 VanDerWaalsContact O-CD2 3.26Å; T178-F182 WeakPolarHBondContact O-CD2 3.45Å; T178-F182 PolarHBondContact O-N 2.99Å
179V93.3Very high90.2Very high24 Ų2443.6 Ų43.615%0.14525%0.25CC..Hα-helixtrans-62.1-53.1174.9170.90000110Q175 A176 L181 F182 L183 Y224Q175-V179 WeakPolarHBondContact O-CG2 3.48Å; Q175-V179 PolarHBondContact O-N 2.96Å; A176-V179 PolarHBondContact O-N 3.49Å; V179-L181 PolarHBondContact O-N 3.48Å; V179-F182 PolarHBondContact O-N 3.5Å; V179-L183 HydrophobicContact CG1-CD1 3.79Å; V179-L183 HydrophobicContact CG1-CG 4.01Å; V179-L183 VanDerWaalsContact O-CG 3.29Å; V179-L183 WeakPolarHBondContact O-CG 3.45Å; V179-L183 PolarHBondContact O-N 3.46Å; V179-Y224 HydrophobicContact CB-CG 4.41Å; V179-Y224 HydrophobicContact CG1-CD2 3.96Å; V179-Y224 HydrophobicContact CG1-CG 4.1Å; V179-Y224 HydrophobicContact CG2-CD1 3.87Å; V179-Y224 HydrophobicContact CG2-CD2 4.21Å; V179-Y224 HydrophobicContact CG2-CE1 4.07Å; V179-Y224 HydrophobicContact CG2-CE2 4.41Å; V179-Y224 HydrophobicContact CG2-CG 3.92Å
180E96.6Very high92.5Very high0 Ų038.3 Ų38.30%022%0.224CC..Hα-helixtrans-57-33.9179.5-73.6-66165.900113.5A176 T184 T225 S228 M229 V249 P254A176-E180 WeakPolarHBondContact O-CG 3.29Å; A176-E180 PolarHBondContact O-N 3.4Å; E180-T184 WeakPolarHBondContact O-CB 3.35Å; E180-T184 PolarHBondContact O-N 2.94Å; E180-T184 PolarHBondContact O-OG1 2.8Å; E180-T225 HydrophobicContact CG-CG2 4.16Å; E180-T225 WeakPolarHBondContact OE1-CB 3.45Å; E180-T225 PolarHBondContact OE1-OG1 3.31Å; E180-S228 WeakPolarHBondContact OE1-CB 3.48Å; E180-S228 PolarHBondContact OE1-N 2.86Å; E180-S228 WeakPolarHBondContact OE2-CB 3.33Å; E180-M229 PolarHBondContact OE2-N 3.21Å; E180-V249 HydrophobicContact CG-CG1 4.4Å; E180-P254 HydrophobicContact CB-CG 4.39Å
181L98.2Very high93.9Very high34 Ų3435.2 Ų35.218%0.17820%0.2CC..Hα-helixtrans-59-53.3172-178.5164.8000111.2V177 T178 V179 T184 L185 G253 V256 G257 L260V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 PolarHBondContact O-N 3.03Å; T178-L181 WeakPolarHBondContact O-CB 3.36Å; T178-L181 PolarHBondContact O-N 2.88Å; V179-L181 PolarHBondContact O-N 3.48Å; L181-T184 PolarHBondContact O-N 3.1Å; L181-L185 HydrophobicContact CD2-CD1 4.44Å; L181-L185 VanDerWaalsContact O-CB 3.23Å; L181-L185 WeakPolarHBondContact O-CB 3.3Å; L181-L185 PolarHBondContact O-N 3.47Å; L181-G253 WeakPolarHBondContact CA-O 3.23Å; L181-V256 HydrophobicContact CD1-CB 4.37Å; L181-V256 HydrophobicContact CD1-CG1 3.65Å; L181-V256 HydrophobicContact CG-CG1 4.25Å; L181-G257 VanDerWaalsContact O-CA 3.3Å; L181-G257 WeakPolarHBondContact O-CA 3.4Å; L181-L260 HydrophobicContact CD1-CD1 4.18Å; L181-L260 HydrophobicContact CD2-CD1 4.11Å; L181-L260 HydrophobicContact CG-CD1 4.35Å
182F97.8Very high94.9Very high125 Ų12534.6 Ų34.655%0.54820%0.195SC..Hα-helixtrans-69.4-36.4-178.2-77.2-70000113T178 V179 T184 L185 Q186T178-F182 HydrophobicContact CG2-CD2 4.18Å; T178-F182 HydrophobicContact CG2-CE2 3.95Å; T178-F182 VanDerWaalsContact O-CD2 3.26Å; T178-F182 WeakPolarHBondContact O-CD2 3.45Å; T178-F182 PolarHBondContact O-N 2.99Å; V179-F182 PolarHBondContact O-N 3.5Å; F182-T184 VanDerWaalsContact C-N 3.33Å; F182-T184 PolarHBondContact O-N 3.48Å; F182-L185 PolarHBondContact O-N 3.08Å; F182-Q186 WeakPolarHBondContact O-CG 3.26Å; F182-Q186 PolarHBondContact O-N 3.08Å; F182-Q186 VanDerWaalsContact O-N 3.07Å
183L97.3Very high95.2Very high7 Ų732.6 Ų32.64%0.03719%0.187CC..Hα-helixtrans-59.2-47174.4-61.1177.7000110.5V179 Q186 L187 G217 L220 M229V179-L183 HydrophobicContact CG1-CD1 3.79Å; V179-L183 HydrophobicContact CG1-CG 4.01Å; V179-L183 VanDerWaalsContact O-CG 3.29Å; V179-L183 WeakPolarHBondContact O-CG 3.45Å; V179-L183 PolarHBondContact O-N 3.46Å; L183-Q186 WeakPolarHBondContact O-CG 3.38Å; L183-Q186 PolarHBondContact O-OE1 3.35Å; L183-L187 PolarHBondContact O-N 3.42Å; L183-G217 WeakPolarHBondContact CD2-O 3.41Å; L183-L220 HydrophobicContact CD2-CB 4.2Å; L183-L220 HydrophobicContact CD2-CD2 4.08Å; L183-L220 HydrophobicContact CD2-CG 4.43Å; L183-M229 HydrophobicContact CB-CE 4.26Å; L183-M229 HydrophobicContact CB-CG 3.75Å; L183-M229 HydrophobicContact CB-SD 4.33Å; L183-M229 HydrophobicContact CD1-CG 4.34Å; L183-M229 VanDerWaalsContact O-CE 3.29Å; L183-M229 WeakPolarHBondContact O-CE 3.43Å
184T98.4Very high95.4Very high0 Ų031.9 Ų31.90%018%0.181CC..Hα-helixtrans-76.1-32.7-177.7-45.70000112.2A70 E180 L181 F182 L187 V188 M229 P254 A258A70-T184 HydrophobicContact CB-CG2 4.11Å; E180-T184 WeakPolarHBondContact O-CB 3.35Å; E180-T184 PolarHBondContact O-N 2.94Å; E180-T184 PolarHBondContact O-OG1 2.8Å; L181-T184 PolarHBondContact O-N 3.1Å; F182-T184 VanDerWaalsContact C-N 3.33Å; F182-T184 PolarHBondContact O-N 3.48Å; T184-L187 PolarHBondContact O-N 2.95Å; T184-V188 HydrophobicContact CG2-CG2 4.45Å; T184-V188 WeakPolarHBondContact O-CG2 3.23Å; T184-V188 PolarHBondContact O-N 3.49Å; T184-M229 WeakPolarHBondContact OG1-CA 3.41Å; T184-P254 HydrophobicContact CG2-CB 4.09Å; T184-P254 WeakPolarHBondContact CG2-O 3.47Å; T184-P254 VanDerWaalsContact OG1-CA 3.29Å; T184-P254 WeakPolarHBondContact OG1-CA 3.47Å; T184-P254 WeakPolarHBondContact OG1-CB 3.33Å; T184-A258 HydrophobicContact CG2-CB 3.95Å
185L98.3Very high95.5Very high30 Ų3033.7 Ų33.716%0.15718%0.183CC..Hα-helixtrans-58.9-49.7174.2179.3151.3000111.3L181 F182 L187 V188 L189 G257 L260L181-L185 HydrophobicContact CD2-CD1 4.44Å; L181-L185 VanDerWaalsContact O-CB 3.23Å; L181-L185 WeakPolarHBondContact O-CB 3.3Å; L181-L185 PolarHBondContact O-N 3.47Å; F182-L185 PolarHBondContact O-N 3.08Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 3.26Å; L185-V188 PolarHBondContact O-N 3.05Å; L185-L189 HydrophobicContact CD2-CD1 3.6Å; L185-L189 HydrophobicContact CD2-CG 4.3Å; L185-L189 HydrophobicContact CG-CD1 4.46Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 3.35Å; L185-G257 WeakPolarHBondContact CA-O 3.19Å; L185-L260 HydrophobicContact CD1-CB 4.04Å
186Q98.5Very high95.6Very high50 Ų5029.8 Ų29.823%0.23417%0.166CC..Hα-helixtrans-66.1-34.9-178.871.167.8-142.800111.9F182 L183 C190 S213F182-Q186 WeakPolarHBondContact O-CG 3.26Å; F182-Q186 PolarHBondContact O-N 3.08Å; F182-Q186 VanDerWaalsContact O-N 3.07Å; L183-Q186 WeakPolarHBondContact O-CG 3.38Å; L183-Q186 PolarHBondContact O-OE1 3.35Å; Q186-C190 WeakPolarHBondContact O-CB 3.23Å; Q186-C190 PolarHBondContact O-N 2.92Å; Q186-S213 PolarHBondContact NE2-OG 2.83Å; Q186-S213 PolarHBondContact OE1-O 2.92Å; Q186-S213 PolarHBondContact OE1-OG 3.32Å
187L98.3Very high95.4Very high7 Ų739 Ų394%0.03721%0.209CC..Hα-helixtrans-62.5-48.9173.8173.861.8000111.5L183 T184 L185 L189 C190 I191 I210 S213 V214 M229L183-L187 PolarHBondContact O-N 3.42Å; T184-L187 PolarHBondContact O-N 2.95Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 3.26Å; L187-L189 PolarHBondContact O-N 2.66Å; L187-C190 WeakPolarHBondContact O-CB 3.46Å; L187-C190 PolarHBondContact O-N 3.42Å; L187-I191 HydrophobicContact CD1-CD1 3.92Å; L187-I191 HydrophobicContact CD1-CG1 4.18Å; L187-I191 HydrophobicContact CG-CD1 3.86Å; L187-I191 WeakPolarHBondContact O-CG1 3.41Å; L187-I191 PolarHBondContact O-N 2.86Å; L187-I210 HydrophobicContact CD1-CG2 4.23Å; L187-S213 WeakPolarHBondContact CA-OG 3.32Å; L187-V214 HydrophobicContact CD1-CG2 3.59Å; L187-V214 HydrophobicContact CD2-CG2 4.11Å; L187-V214 HydrophobicContact CG-CG2 4.5Å; L187-M229 HydrophobicContact CB-CE 3.71Å; L187-M229 HydrophobicContact CD2-CE 3.84Å; L187-M229 HydrophobicContact CG-CE 4.29Å
188V98.4Very high94.9Very high2 Ų242.5 Ų42.51%0.01222%0.219CC..Hα-helixtrans-65.9-38.2-178.9168.20000112V71 A74 T184 L185 C190 I191 F192 A258V71-V188 HydrophobicContact CG2-CG2 4.29Å; A74-V188 HydrophobicContact CB-CG1 3.77Å; A74-V188 HydrophobicContact CB-CG2 4.08Å; T184-V188 HydrophobicContact CG2-CG2 4.45Å; T184-V188 WeakPolarHBondContact O-CG2 3.23Å; T184-V188 PolarHBondContact O-N 3.49Å; L185-V188 PolarHBondContact O-N 3.05Å; V188-C190 VanDerWaalsContact C-N 3.33Å; V188-C190 PolarHBondContact O-N 3.01Å; V188-I191 PolarHBondContact O-N 2.81Å; V188-F192 HydrophobicContact CG1-CD2 3.63Å; V188-F192 HydrophobicContact CG1-CE2 3.38Å; V188-F192 HydrophobicContact CG1-CZ 4.39Å; V188-F192 WeakPolarHBondContact O-CD2 3.46Å; V188-F192 PolarHBondContact O-N 3.48Å; V188-A258 HydrophobicContact CG2-CB 3.8Å
189L97.8Very high94.1Very high41 Ų4144.5 Ų44.522%0.21522%0.219CC..Hα-helixtrans-61.4-42.6172.4-70178.5000111.8L185 L187 A193 G261 L264 Y265 L269L185-L189 HydrophobicContact CD2-CD1 3.6Å; L185-L189 HydrophobicContact CD2-CG 4.3Å; L185-L189 HydrophobicContact CG-CD1 4.46Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 3.35Å; L187-L189 PolarHBondContact O-N 2.66Å; L189-A193 VanDerWaalsContact O-CB 3.29Å; L189-A193 WeakPolarHBondContact O-CB 3.39Å; L189-A193 PolarHBondContact O-N 3.09Å; L189-G261 WeakPolarHBondContact CD2-O 3.49Å; L189-L264 HydrophobicContact CD1-CD2 4.2Å; L189-L264 HydrophobicContact CD2-CB 4.45Å; L189-L264 HydrophobicContact CD2-CD2 4.26Å; L189-Y265 HydrophobicContact CD2-CD2 4.38Å; L189-L269 HydrophobicContact CD2-CD1 4.47Å
190C97.5Very high92.7Very high30 Ų3046 Ų4620%0.20324%0.239CC..Hα-helixtrans-63.1-43.9176.2-1780000111.9Q186 L187 V188 S194Q186-C190 WeakPolarHBondContact O-CB 3.23Å; Q186-C190 PolarHBondContact O-N 2.92Å; L187-C190 WeakPolarHBondContact O-CB 3.46Å; L187-C190 PolarHBondContact O-N 3.42Å; V188-C190 VanDerWaalsContact C-N 3.33Å; V188-C190 PolarHBondContact O-N 3.01Å; C190-S194 WeakPolarHBondContact O-CB 3.41Å; C190-S194 PolarHBondContact O-N 2.86Å; C190-S194 PolarHBondContact O-OG 3.36Å
191I96.3Very high91.1Very high22 Ų2255.4 Ų55.411%0.11328%0.283CS..Hα-helixtrans-58.5-56.8176.8-69.9166.7000109.8V71 L187 V188 A193 S194 T195 I210V71-I191 HydrophobicContact CB-CD1 4.44Å; V71-I191 HydrophobicContact CG1-CD1 3.83Å; V71-I191 HydrophobicContact CG2-CD1 3.67Å; L187-I191 HydrophobicContact CD1-CD1 3.92Å; L187-I191 HydrophobicContact CD1-CG1 4.18Å; L187-I191 HydrophobicContact CG-CD1 3.86Å; L187-I191 WeakPolarHBondContact O-CG1 3.41Å; L187-I191 PolarHBondContact O-N 2.86Å; V188-I191 PolarHBondContact O-N 2.81Å; I191-A193 PolarHBondContact O-N 3.16Å; I191-S194 PolarHBondContact O-N 3.48Å; I191-T195 HydrophobicContact CG2-CG2 4.46Å; I191-T195 PolarHBondContact O-N 3Å; I191-T195 PolarHBondContact O-OG1 3.07Å; I191-T195 VanDerWaalsContact O-OG1 3.07Å; I191-I210 HydrophobicContact CB-CD1 4.49Å; I191-I210 HydrophobicContact CD1-CG2 4.42Å; I191-I210 HydrophobicContact CG1-CD1 4.05Å; I191-I210 HydrophobicContact CG1-CG1 3.89Å; I191-I210 HydrophobicContact CG1-CG2 3.88Å
192F95.1Very high89.7Confident8 Ų860.7 Ų60.74%0.03531%0.311CS..Hα-helixtrans-60.8-43.5-177.7-74.4-48.3000112.5A74 H80 V188 S194 T195 D196 Y265A74-F192 HydrophobicContact CB-CE2 4.26Å; A74-F192 HydrophobicContact CB-CZ 4.25Å; H80-F192 AromaticContact CD2-CE1 3.32Å; H80-F192 WeakPolarHBondContact CD2-CE1 3.26Å; H80-F192 AromaticContact CD2-CZ 3.94Å; H80-F192 AromaticContact NE2-CD1 3.91Å; H80-F192 AromaticContact NE2-CE1 3.57Å; V188-F192 HydrophobicContact CG1-CD2 3.63Å; V188-F192 HydrophobicContact CG1-CE2 3.38Å; V188-F192 HydrophobicContact CG1-CZ 4.39Å; V188-F192 WeakPolarHBondContact O-CD2 3.46Å; V188-F192 PolarHBondContact O-N 3.48Å; F192-S194 PolarHBondContact O-N 2.98Å; F192-T195 PolarHBondContact O-N 3.49Å; F192-D196 WeakPolarHBondContact O-CB 3.24Å; F192-D196 PolarHBondContact O-N 2.94Å; F192-Y265 HydrophobicContact CB-CD1 3.55Å; F192-Y265 HydrophobicContact CB-CD2 4.06Å; F192-Y265 HydrophobicContact CB-CE1 3.79Å; F192-Y265 HydrophobicContact CB-CE2 4.29Å; F192-Y265 HydrophobicContact CB-CG 3.69Å; F192-Y265 HydrophobicContact CD2-CG 4.41Å; F192-Y265 HydrophobicContact CG-CD1 4.15Å; F192-Y265 HydrophobicContact CG-CG 4.35Å
193A93.7Very high88.1Confident35 Ų3559 Ų5929%0.28931%0.313SS..Hα-helixtrans-64.8-25.1176.200000113.8L189 I191 R199 Y265L189-A193 VanDerWaalsContact O-CB 3.29Å; L189-A193 WeakPolarHBondContact O-CB 3.39Å; L189-A193 PolarHBondContact O-N 3.09Å; I191-A193 PolarHBondContact O-N 3.16Å; A193-R199 WeakPolarHBondContact O-CD 3.47Å; A193-R199 PolarHBondContact O-NH1 3.27Å; A193-R199 VanDerWaalsContact O-NH1 3.1Å; A193-Y265 WeakPolarHBondContact CA-OH 3.49Å; A193-Y265 HydrophobicContact CB-CE2 3.91Å
194S92.9Very high87.3Confident10 Ų1060.9 Ų60.97%0.0733%0.334CS..Hα-helixtrans-88.1-26.9-179.7-60.90000112.9C190 I191 F192 P206C190-S194 WeakPolarHBondContact O-CB 3.41Å; C190-S194 PolarHBondContact O-N 2.86Å; C190-S194 PolarHBondContact O-OG 3.36Å; I191-S194 PolarHBondContact O-N 3.48Å; F192-S194 PolarHBondContact O-N 2.98Å; S194-P206 WeakPolarHBondContact O-CG 3.36Å
195T91Very high86.9Confident79 Ų7964.6 Ų64.649%0.48536%0.357SS..Hα-helixtrans-105.66.5-179.364.90000113.2I191 F192 E197 I210I191-T195 HydrophobicContact CG2-CG2 4.46Å; I191-T195 PolarHBondContact O-N 3Å; I191-T195 PolarHBondContact O-OG1 3.07Å; I191-T195 VanDerWaalsContact O-OG1 3.07Å; F192-T195 PolarHBondContact O-N 3.49Å; T195-E197 PolarHBondContact O-N 3.4Å; T195-I210 HydrophobicContact CG2-CD1 4.39Å
196D90.4Very high86.6Confident25 Ų2565.3 Ų65.313%0.13436%0.363CS..  trans-74.3116.8178-160.6-37.3000111F192 R198 R199 Y265F192-D196 WeakPolarHBondContact O-CB 3.24Å; F192-D196 PolarHBondContact O-N 2.94Å; D196-R198 PolarHBondContact O-N 3.34Å; D196-R198 WeakPolarHBondContact OD1-CB 3.33Å; D196-R198 VanDerWaalsContact OD1-CG 3.3Å; D196-R198 WeakPolarHBondContact OD1-CG 3.36Å; D196-R198 IonicContact OD1-CZ 3.54Å; D196-R198 PolarHBondContact OD1-N 2.75Å; D196-R198 IonicContact OD1-NE 3.86Å; D196-R198 PolarHBondContact OD1-NE 2.99Å; D196-R198 IonicContact OD1-NH2 2.86Å; D196-R198 IonicContact OD2-CZ 3.74Å; D196-R198 VanDerWaalsContact OD2-CZ 3.23Å; D196-R198 IonicContact OD2-NE 3.74Å; D196-R198 PolarHBondContact OD2-NE 2.82Å; D196-R198 VanDerWaalsContact OD2-NE 3.09Å; D196-R198 IonicContact OD2-NH2 2.91Å; D196-R198 PolarHBondContact OD2-NH2 3.48Å; D196-R199 WeakPolarHBondContact O-CB 3.37Å; D196-R199 PolarHBondContact O-N 3.05Å; D196-R199 VanDerWaalsContact O-N 3.09Å; D196-Y265 WeakPolarHBondContact OD2-CE1 3.28Å; D196-Y265 PolarHBondContact OD2-OH 3.44Å
197E84.8Confident86.4Confident193 Ų19363.1 Ų63.190%0.90235%0.354SS*.THydrogen-bonded Turntrans-64.1-19.4178.5-60.9-179.5165.600113.2T195 R199T195-E197 PolarHBondContact O-N 3.4Å; E197-R199 PolarHBondContact O-N 3.29Å
198R84.4Confident86.3Confident98 Ų9866.9 Ų66.937%0.3737%0.374SS..THydrogen-bonded Turntrans-76.2-11.9177-59.2172.3-72.2179.6-4.1112.4D196 G200 F270 P271D196-R198 PolarHBondContact O-N 3.34Å; D196-R198 WeakPolarHBondContact OD1-CB 3.33Å; D196-R198 VanDerWaalsContact OD1-CG 3.3Å; D196-R198 WeakPolarHBondContact OD1-CG 3.36Å; D196-R198 IonicContact OD1-CZ 3.54Å; D196-R198 PolarHBondContact OD1-N 2.75Å; D196-R198 IonicContact OD1-NE 3.86Å; D196-R198 PolarHBondContact OD1-NE 2.99Å; D196-R198 IonicContact OD1-NH2 2.86Å; D196-R198 IonicContact OD2-CZ 3.74Å; D196-R198 VanDerWaalsContact OD2-CZ 3.23Å; D196-R198 IonicContact OD2-NE 3.74Å; D196-R198 PolarHBondContact OD2-NE 2.82Å; D196-R198 VanDerWaalsContact OD2-NE 3.09Å; D196-R198 IonicContact OD2-NH2 2.91Å; D196-R198 PolarHBondContact OD2-NH2 3.48Å; R198-G200 PolarHBondContact O-N 3.01Å; R198-F270 HydrophobicContact CB-CE1 3.8Å; R198-F270 HydrophobicContact CB-CZ 4.43Å; R198-F270 HydrophobicContact CG-CE1 4.35Å; R198-F270 VanDerWaalsContact NE-CE1 3.26Å; R198-F270 VanDerWaalsContact NH1-CD1 3.35Å; R198-F270 PolarHBondContact NH1-O 2.9Å; R198-F270 PolarHBondContact NH2-O 3.48Å; R198-P271 PolarHBondContact NH1-O 2.86Å
199R76.6Confident86.2Confident115 Ų11568.7 Ų68.743%0.43439%0.386SS..SBendtrans-72.5108.6173.4-170175.8178.6-177.7-3.4107.3A193 D196 E197A193-R199 WeakPolarHBondContact O-CD 3.47Å; A193-R199 PolarHBondContact O-NH1 3.27Å; A193-R199 VanDerWaalsContact O-NH1 3.1Å; D196-R199 WeakPolarHBondContact O-CB 3.37Å; D196-R199 PolarHBondContact O-N 3.05Å; D196-R199 VanDerWaalsContact O-N 3.09Å; E197-R199 PolarHBondContact O-N 3.29Å
200G64.3Low86.2Confident55 Ų5567 Ų6757%0.56738%0.377SS*.  trans-59-158.5-168.500000117.1R198 N202R198-G200 PolarHBondContact O-N 3.01Å; G200-N202 CarbonylContact O-C 3.25Å; G200-N202 PolarHBondContact O-N 3.23Å
201E63.4Low86.2Confident198 Ų19865.8 Ų65.893%0.92537%0.369SS*.SBendtrans-58.2-8.5-160.2-57-156.6166.300118.1P203E201-P203 WeakPolarHBondContact O-CD 3.32Å
202N69.7Low86.3Confident144 Ų14469.8 Ų69.877%0.7739%0.386SS*.  trans-102.289.1167.8-80.9-37.5000110.2G200 G204G200-N202 CarbonylContact O-C 3.25Å; G200-N202 PolarHBondContact O-N 3.23Å; N202-G204 PolarHBondContact O-N 3.36Å
203P63.6Low86.4Confident91 Ų9169.7 Ų69.759%0.59139%0.387SS*.  trans-64.1-9.2-179.524.7-33.6000113.3E201E201-P203 WeakPolarHBondContact O-CD 3.32Å
204G79.3Confident86.7Confident46 Ų4668.4 Ų68.447%0.47438%0.375SS..  trans62.3-148179.300000111.5N202N202-G204 PolarHBondContact O-N 3.36Å
205T90.3Very high86.9Confident78 Ų7868.2 Ų68.248%0.47937%0.374SS..  trans-125.981178.951.30000110.1A207 L208 S209T205-A207 VanDerWaalsContact C-N 3.33Å; T205-A207 PolarHBondContact O-N 3.39Å; T205-L208 HydrophobicContact CG2-CD1 4.32Å; T205-L208 PolarHBondContact O-N 2.98Å; T205-S209 WeakPolarHBondContact O-CB 3.31Å; T205-S209 PolarHBondContact O-N 3.44Å; T205-S209 PolarHBondContact O-OG 2.71Å
206P92.1Very high87.2Confident44 Ų4469.3 Ų69.329%0.28638%0.376SS..Hα-helixtrans-57.1-45.6-175.7-27.235.8000112.6S194 L208 S209 I210S194-P206 WeakPolarHBondContact O-CG 3.36Å; P206-L208 PolarHBondContact O-N 2.86Å; P206-S209 PolarHBondContact O-N 3.37Å; P206-I210 WeakPolarHBondContact O-CB 3.23Å; P206-I210 WeakPolarHBondContact O-CD1 3.26Å; P206-I210 WeakPolarHBondContact O-CG1 3.32Å; P206-I210 PolarHBondContact O-N 2.89Å
207A94.8Very high87.4Confident5 Ų568.1 Ų68.14%0.04137%0.37CS..Hα-helixtrans-59.6-49.5-179.900000113G53 V56 Q57 T205 G211G53-A207 VanDerWaalsContact CA-O 3.28Å; G53-A207 WeakPolarHBondContact CA-O 3.41Å; G53-A207 WeakPolarHBondContact O-CB 3.15Å; V56-A207 HydrophobicContact CB-CB 4.24Å; V56-A207 HydrophobicContact CG1-CB 3.97Å; Q57-A207 HydrophobicContact CB-CB 3.77Å; T205-A207 VanDerWaalsContact C-N 3.33Å; T205-A207 PolarHBondContact O-N 3.39Å; A207-G211 PolarHBondContact O-N 3.46Å
208L95.4Very high87.8Confident86 Ų8659.1 Ų59.145%0.4533%0.328SS..Hα-helixtrans-67.6-39.4178.5-69.2176000112.2T205 P206 G211 F212T205-L208 HydrophobicContact CG2-CD1 4.32Å; T205-L208 PolarHBondContact O-N 2.98Å; P206-L208 PolarHBondContact O-N 2.86Å; L208-G211 PolarHBondContact O-N 3.39Å; L208-F212 HydrophobicContact CB-CD2 4.45Å; L208-F212 HydrophobicContact CB-CE2 4.42Å; L208-F212 WeakPolarHBondContact O-CB 3.32Å; L208-F212 WeakPolarHBondContact O-CD2 3.28Å; L208-F212 PolarHBondContact O-N 2.9Å
209S96.7Very high88.1Confident39 Ų3958.2 Ų58.227%0.27333%0.33SS..Hα-helixtrans-62.1-46.5178.8-56.70000111.1T205 P206 F212 S213T205-S209 WeakPolarHBondContact O-CB 3.31Å; T205-S209 PolarHBondContact O-N 3.44Å; T205-S209 PolarHBondContact O-OG 2.71Å; P206-S209 PolarHBondContact O-N 3.37Å; S209-F212 PolarHBondContact O-N 2.88Å; S209-S213 WeakPolarHBondContact O-CB 3.36Å; S209-S213 PolarHBondContact O-N 3.03Å
210I97.6Very high88.8Confident7 Ų756.4 Ų56.44%0.03633%0.329CS..Hα-helixtrans-65-42.8176.5-65165.3000110.4I52 V56 L187 I191 T195 P206 S213 V214I52-I210 HydrophobicContact CG2-CG2 3.81Å; V56-I210 HydrophobicContact CG1-CD1 4.21Å; V56-I210 HydrophobicContact CG2-CG2 4.32Å; L187-I210 HydrophobicContact CD1-CG2 4.23Å; I191-I210 HydrophobicContact CB-CD1 4.49Å; I191-I210 HydrophobicContact CD1-CG2 4.42Å; I191-I210 HydrophobicContact CG1-CD1 4.05Å; I191-I210 HydrophobicContact CG1-CG1 3.89Å; I191-I210 HydrophobicContact CG1-CG2 3.88Å; T195-I210 HydrophobicContact CG2-CD1 4.39Å; P206-I210 WeakPolarHBondContact O-CB 3.23Å; P206-I210 WeakPolarHBondContact O-CD1 3.26Å; P206-I210 WeakPolarHBondContact O-CG1 3.32Å; P206-I210 PolarHBondContact O-N 2.89Å; I210-S213 WeakPolarHBondContact O-CB 3.34Å; I210-S213 PolarHBondContact O-N 3.44Å; I210-V214 PolarHBondContact O-N 3.41Å
211G97.8Very high89.8Confident3 Ų353.8 Ų53.83%0.03130%0.302CS..Hα-helixtrans-60.5-47.5176.500000113.1G49 A207 L208 S213 V214 A215G49-G211 CarbonylContact C-O 3.45Å; G49-G211 WeakPolarHBondContact CA-O 3.28Å; G49-G211 CarbonylContact O-C 3.57Å; G49-G211 WeakPolarHBondContact O-CA 3.43Å; A207-G211 PolarHBondContact O-N 3.46Å; L208-G211 PolarHBondContact O-N 3.39Å; G211-S213 VanDerWaalsContact C-N 3.3Å; G211-S213 PolarHBondContact O-N 3.02Å; G211-V214 WeakPolarHBondContact O-CB 3.33Å; G211-V214 PolarHBondContact O-N 3.41Å; G211-V214 VanDerWaalsContact O-N 3.16Å; G211-A215 PolarHBondContact O-N 3.25Å
212F98.4Very high91Very high106 Ų10645.8 Ų45.847%0.46527%0.265SS..Hα-helixtrans-68.8-27.8176-73.2-52.1000113.2M46 L208 S209 V214 A215 L216M46-F212 HydrophobicContact CE-CE1 4.03Å; M46-F212 HydrophobicContact SD-CE1 4.3Å; L208-F212 HydrophobicContact CB-CD2 4.45Å; L208-F212 HydrophobicContact CB-CE2 4.42Å; L208-F212 WeakPolarHBondContact O-CB 3.32Å; L208-F212 WeakPolarHBondContact O-CD2 3.28Å; L208-F212 PolarHBondContact O-N 2.9Å; S209-F212 PolarHBondContact O-N 2.88Å; F212-V214 VanDerWaalsContact C-N 3.34Å; F212-A215 PolarHBondContact O-N 3.29Å; F212-L216 WeakPolarHBondContact O-CB 3.37Å; F212-L216 PolarHBondContact O-N 2.88Å
213S98.4Very high91.6Very high7 Ų740.1 Ų40.15%0.04923%0.234CC..Hα-helixtrans-62.1-42.2169.5-177.20000111.7Q186 L187 S209 I210 G211 L216 G217Q186-S213 PolarHBondContact NE2-OG 2.83Å; Q186-S213 PolarHBondContact OE1-O 2.92Å; Q186-S213 PolarHBondContact OE1-OG 3.32Å; L187-S213 WeakPolarHBondContact CA-OG 3.32Å; S209-S213 WeakPolarHBondContact O-CB 3.36Å; S209-S213 PolarHBondContact O-N 3.03Å; I210-S213 WeakPolarHBondContact O-CB 3.34Å; I210-S213 PolarHBondContact O-N 3.44Å; G211-S213 VanDerWaalsContact C-N 3.3Å; G211-S213 PolarHBondContact O-N 3.02Å; S213-L216 PolarHBondContact O-N 3.12Å; S213-G217 PolarHBondContact O-N 2.93Å
214V98.4Very high92.6Very high7 Ų738.4 Ų38.44%0.04222%0.216CC..Hα-helixtrans-65.4-42.2174.5172.70000111F48 I52 L187 I210 G211 F212 L216 G217 H218F48-V214 HydrophobicContact CB-CG1 4.17Å; I52-V214 HydrophobicContact CB-CG2 4.17Å; I52-V214 HydrophobicContact CG1-CG1 4.28Å; I52-V214 HydrophobicContact CG1-CG2 4.11Å; I52-V214 HydrophobicContact CG2-CG2 4.05Å; L187-V214 HydrophobicContact CD1-CG2 3.59Å; L187-V214 HydrophobicContact CD2-CG2 4.11Å; L187-V214 HydrophobicContact CG-CG2 4.5Å; I210-V214 PolarHBondContact O-N 3.41Å; G211-V214 WeakPolarHBondContact O-CB 3.33Å; G211-V214 PolarHBondContact O-N 3.41Å; G211-V214 VanDerWaalsContact O-N 3.16Å; F212-V214 VanDerWaalsContact C-N 3.34Å; V214-L216 PolarHBondContact O-N 3.02Å; V214-G217 PolarHBondContact O-N 3.18Å; V214-H218 PolarHBondContact O-N 3.47Å; V214-H218 PolarHBondContact O-ND1 3Å
215A97.9Very high92.9Very high6 Ų636.3 Ų36.35%0.0519%0.194CC..Hα-helixtrans-59.9-44.717500000111.9A45 G211 F212 G217 H218 L219A45-A215 HydrophobicContact CB-CB 4.47Å; A45-A215 WeakPolarHBondContact O-CA 3.46Å; A45-A215 WeakPolarHBondContact O-CB 3.32Å; G211-A215 PolarHBondContact O-N 3.25Å; F212-A215 PolarHBondContact O-N 3.29Å; A215-G217 VanDerWaalsContact C-N 3.29Å; A215-G217 PolarHBondContact O-N 3.18Å; A215-H218 PolarHBondContact O-N 3.05Å; A215-H218 VanDerWaalsContact O-N 3.1Å; A215-L219 WeakPolarHBondContact O-CG 3.49Å; A215-L219 PolarHBondContact O-N 3.34Å
216L96.9Very high92.7Very high102 Ų10233.9 Ų33.953%0.53419%0.185SC..Hα-helixtrans-57-44.1175.1175.964.1000111.3F212 S213 V214 H218 L219F212-L216 WeakPolarHBondContact O-CB 3.37Å; F212-L216 PolarHBondContact O-N 2.88Å; S213-L216 PolarHBondContact O-N 3.12Å; V214-L216 PolarHBondContact O-N 3.02Å; L216-H218 VanDerWaalsContact C-N 3.32Å; L216-H218 PolarHBondContact O-N 3.16Å; L216-L219 PolarHBondContact O-N 3.21Å
217G94.4Very high92.7Very high1 Ų131.8 Ų31.81%0.0117%0.171CC..Hα-helixtrans-58.3-44.3175.300000112.3L183 S213 V214 A215 L220 G221L183-G217 WeakPolarHBondContact CD2-O 3.41Å; S213-G217 PolarHBondContact O-N 2.93Å; V214-G217 PolarHBondContact O-N 3.18Å; A215-G217 VanDerWaalsContact C-N 3.29Å; A215-G217 PolarHBondContact O-N 3.18Å; G217-L220 PolarHBondContact O-N 3.48Å; G217-G221 PolarHBondContact O-N 3.5Å
218H92.9Very high92.7Very high3 Ų331.7 Ų31.71%0.01417%0.17CC..Hα-helixtrans-66.6-37.5178.8-76.271.3000113.4A45 F48 V214 A215 L216 L220 I222 C227A45-H218 HydrophobicContact CB-CB 3.54Å; F48-H218 WeakPolarHBondContact CB-NE2 3.48Å; F48-H218 AromaticContact CD1-CE1 3.79Å; F48-H218 AromaticContact CD1-NE2 3.33Å; F48-H218 VanDerWaalsContact CD1-NE2 3.33Å; F48-H218 WeakPolarHBondContact CD1-NE2 3.26Å; F48-H218 AromaticContact CD2-CD2 3.85Å; F48-H218 AromaticContact CD2-NE2 3.65Å; F48-H218 AromaticContact CE1-NE2 3.93Å; F48-H218 AromaticContact CG-CD2 3.76Å; F48-H218 AromaticContact CG-CE1 3.7Å; F48-H218 AromaticContact CG-NE2 3.18Å; F48-H218 WeakPolarHBondContact CG-NE2 3.42Å; V214-H218 PolarHBondContact O-N 3.47Å; V214-H218 PolarHBondContact O-ND1 3Å; A215-H218 PolarHBondContact O-N 3.05Å; A215-H218 VanDerWaalsContact O-N 3.1Å; L216-H218 VanDerWaalsContact C-N 3.32Å; L216-H218 PolarHBondContact O-N 3.16Å; H218-L220 PolarHBondContact O-N 2.87Å; H218-L220 VanDerWaalsContact O-N 3.11Å; H218-I222 HydrophobicContact CB-CD1 3.92Å; H218-I222 HydrophobicContact CB-CG1 4.29Å; H218-I222 WeakPolarHBondContact O-CB 3.01Å; H218-I222 WeakPolarHBondContact O-CD1 3.44Å; H218-I222 WeakPolarHBondContact O-CG1 3.46Å; H218-I222 PolarHBondContact O-N 2.97Å; H218-I222 VanDerWaalsContact O-N 3.15Å; H218-C227 VanDerWaalsContact CA-SG 3.6Å; H218-C227 HydrophobicContact CB-CB 4.45Å
219L92.2Very high92.8Very high79 Ų7927.8 Ų27.841%0.41415%0.15SC..Hα-helixtrans-56.7-28176.7-71.5175.7000112.9V41 L42 A45 A215 L216V41-L219 HydrophobicContact CG1-CD2 4.46Å; L42-L219 HydrophobicContact CD1-CD2 3.98Å; A45-L219 HydrophobicContact CB-CD2 3.9Å; A45-L219 HydrophobicContact CB-CG 4.02Å; A215-L219 WeakPolarHBondContact O-CG 3.49Å; A215-L219 PolarHBondContact O-N 3.34Å; L216-L219 PolarHBondContact O-N 3.21Å
220L89.3Confident92.8Very high78 Ų7826.2 Ų26.241%0.40814%0.138SC..Hα-helixtrans-98.8-52.2174.9-177.665.7000112.1L183 G217 H218 I222 H223 Y224L183-L220 HydrophobicContact CD2-CB 4.2Å; L183-L220 HydrophobicContact CD2-CD2 4.08Å; L183-L220 HydrophobicContact CD2-CG 4.43Å; G217-L220 PolarHBondContact O-N 3.48Å; H218-L220 PolarHBondContact O-N 2.87Å; H218-L220 VanDerWaalsContact O-N 3.11Å; L220-I222 VanDerWaalsContact C-N 3.31Å; L220-I222 PolarHBondContact O-N 2.99Å; L220-H223 PolarHBondContact O-N 3.02Å; L220-Y224 HydrophobicContact CD1-CE2 3.77Å; L220-Y224 HydrophobicContact CG-CE2 4.1Å; L220-Y224 WeakPolarHBondContact O-CD2 3.39Å
221G87.1Confident92.9Very high0 Ų025.9 Ų25.90%014%0.136CC..Hα-helixtrans-66.5-26.4-168.800000114.8G217 H223 Y224 T225 G226 C227G217-G221 PolarHBondContact O-N 3.5Å; G221-H223 PolarHBondContact O-N 3.02Å; G221-Y224 PolarHBondContact O-N 3.41Å; G221-T225 PolarHBondContact O-N 3.41Å; G221-T225 PolarHBondContact O-OG1 3.22Å; G221-G226 PolarHBondContact O-N 3.04Å; G221-C227 PolarHBondContact O-N 3.38Å
222I87.3Confident92.9Very high30 Ų3025.7 Ų25.715%0.15414%0.135CC..Hα-helixtrans-57.5-39.7178.7-74.7169.4000110.9V41 I44 H218 L220 Y224 G226 C227V41-I222 HydrophobicContact CG1-CB 4.29Å; V41-I222 HydrophobicContact CG1-CD1 3.94Å; V41-I222 HydrophobicContact CG1-CG2 4.4Å; V41-I222 HydrophobicContact CG2-CG2 4.21Å; I44-I222 HydrophobicContact CB-CD1 3.84Å; I44-I222 HydrophobicContact CG2-CD1 3.68Å; H218-I222 HydrophobicContact CB-CD1 3.92Å; H218-I222 HydrophobicContact CB-CG1 4.29Å; H218-I222 WeakPolarHBondContact O-CB 3.01Å; H218-I222 WeakPolarHBondContact O-CD1 3.44Å; H218-I222 WeakPolarHBondContact O-CG1 3.46Å; H218-I222 PolarHBondContact O-N 2.97Å; H218-I222 VanDerWaalsContact O-N 3.15Å; L220-I222 VanDerWaalsContact C-N 3.31Å; L220-I222 PolarHBondContact O-N 2.99Å; I222-Y224 VanDerWaalsContact C-N 3.28Å; I222-Y224 PolarHBondContact O-N 3.03Å; I222-G226 PolarHBondContact O-N 3.41Å; I222-G226 VanDerWaalsContact O-N 3.16Å; I222-C227 HydrophobicContact CG1-CB 4.08Å
223H82.6Confident92.9Very high25 Ų2521 Ų2112%0.11611%0.114CC..Hα-helixtrans-64.7-29.6179.7-63.3-64000113.3Q124 P126 L220 G221Q124-H223 CarbonylContact C-O 3.48Å; Q124-H223 CarbonylContact O-C 3.48Å; Q124-H223 WeakPolarHBondContact O-CA 3.37Å; Q124-H223 WeakPolarHBondContact O-CB 3.38Å; P126-H223 HydrophobicContact CB-CB 4.35Å; L220-H223 PolarHBondContact O-N 3.02Å; G221-H223 PolarHBondContact O-N 3.02Å
224Y84.9Confident92.8Very high55 Ų5520.8 Ų20.822%0.21611%0.112CC..Hα-helixtrans-95.8-44.4-175.4-62.9-90.9000112.8G122 P126 T171 V179 L220 G221 I222G122-Y224 PolarHBondContact N-O 3.39Å; P126-Y224 HydrophobicContact CB-CE2 4.35Å; P126-Y224 HydrophobicContact CG-CE1 4.41Å; P126-Y224 HydrophobicContact CG-CE2 4.38Å; P126-Y224 WeakPolarHBondContact CG-OH 3.22Å; T171-Y224 HydrophobicContact CG2-CD1 3.93Å; V179-Y224 HydrophobicContact CB-CG 4.41Å; V179-Y224 HydrophobicContact CG1-CD2 3.96Å; V179-Y224 HydrophobicContact CG1-CG 4.1Å; V179-Y224 HydrophobicContact CG2-CD1 3.87Å; V179-Y224 HydrophobicContact CG2-CD2 4.21Å; V179-Y224 HydrophobicContact CG2-CE1 4.07Å; V179-Y224 HydrophobicContact CG2-CE2 4.41Å; V179-Y224 HydrophobicContact CG2-CG 3.92Å; L220-Y224 HydrophobicContact CD1-CE2 3.77Å; L220-Y224 HydrophobicContact CG-CE2 4.1Å; L220-Y224 WeakPolarHBondContact O-CD2 3.39Å; G221-Y224 PolarHBondContact O-N 3.41Å; I222-Y224 VanDerWaalsContact C-N 3.28Å; I222-Y224 PolarHBondContact O-N 3.03Å
225T86.2Confident92.8Very high1 Ų122 Ų221%0.00612%0.118CC..Hα-helixtrans-139.70.2-165.153.80000114.2N119 A120 A176 E180 G221 C227 F250N119-T225 WeakPolarHBondContact CB-O 3.49Å; N119-T225 PolarHBondContact ND2-O 3.42Å; A120-T225 CarbonylContact O-C 3.49Å; A120-T225 WeakPolarHBondContact O-CA 3.18Å; A176-T225 HydrophobicContact CB-CG2 3.62Å; E180-T225 HydrophobicContact CG-CG2 4.16Å; E180-T225 WeakPolarHBondContact OE1-CB 3.45Å; E180-T225 PolarHBondContact OE1-OG1 3.31Å; G221-T225 PolarHBondContact O-N 3.41Å; G221-T225 PolarHBondContact O-OG1 3.22Å; T225-C227 PolarHBondContact O-N 2.79Å; T225-C227 PolarHBondContact OG1-N 2.85Å; T225-F250 HydrophobicContact CG2-CE1 4.02Å
226G85.6Confident92.8Very high28 Ų2821.7 Ų21.729%0.28912%0.116SC..SBendtrans71.810.1-163.500000113.6N119 G221 I222N119-G226 PolarHBondContact ND2-O 2.96Å; G221-G226 PolarHBondContact O-N 3.04Å; I222-G226 PolarHBondContact O-N 3.41Å; I222-G226 VanDerWaalsContact O-N 3.16Å
227C90.7Very high92.6Very high0 Ų016.8 Ų16.80%09%0.091CC..  trans57.599.1-178.8-164.20000114.1N119 H218 G221 I222 T225 M229 R233N119-C227 PolarHBondContact ND2-O 2.99Å; H218-C227 VanDerWaalsContact CA-SG 3.6Å; H218-C227 HydrophobicContact CB-CB 4.45Å; G221-C227 PolarHBondContact O-N 3.38Å; I222-C227 HydrophobicContact CG1-CB 4.08Å; T225-C227 PolarHBondContact O-N 2.79Å; T225-C227 PolarHBondContact OG1-N 2.85Å; C227-M229 PolarHBondContact SG-SD 3.07Å; C227-R233 PolarHBondContact O-NE 3.15Å
228S95.3Very high92.6Very high3 Ų316.8 Ų16.82%0.0219%0.09CC..  trans-81.5-70.9172.2173.50000110.8E180 N230 S234E180-S228 WeakPolarHBondContact OE1-CB 3.48Å; E180-S228 PolarHBondContact OE1-N 2.86Å; E180-S228 WeakPolarHBondContact OE2-CB 3.33Å; S228-N230 PolarHBondContact O-N 3.2Å; S228-N230 PolarHBondContact OG-N 3.35Å; S228-N230 PolarHBondContact OG-O 3.36Å; S228-S234 WeakPolarHBondContact CB-OG 3.45Å; S228-S234 PolarHBondContact OG-OG 3.24Å
229M97.5Very high92.8Very high4 Ų419.9 Ų19.92%0.0211%0.109CC..SBendtrans53.5-5.8-166.7-55.1169.980.200115.2N68 E180 L183 T184 L187 C227N68-M229 PolarHBondContact ND2-O 3.09Å; E180-M229 PolarHBondContact OE2-N 3.21Å; L183-M229 HydrophobicContact CB-CE 4.26Å; L183-M229 HydrophobicContact CB-CG 3.75Å; L183-M229 HydrophobicContact CB-SD 4.33Å; L183-M229 HydrophobicContact CD1-CG 4.34Å; L183-M229 VanDerWaalsContact O-CE 3.29Å; L183-M229 WeakPolarHBondContact O-CE 3.43Å; T184-M229 WeakPolarHBondContact OG1-CA 3.41Å; L187-M229 HydrophobicContact CB-CE 3.71Å; L187-M229 HydrophobicContact CD2-CE 3.84Å; L187-M229 HydrophobicContact CG-CE 4.29Å; C227-M229 PolarHBondContact SG-SD 3.07Å
230N98.3Very high93Very high5 Ų518.1 Ų18.13%0.02710%0.101CC..  trans-153.4107.4-162.6-177.7-21.3000110.1I67 N68 P69 S228 A232 R233 S234I67-N230 PolarHBondContact O-ND2 3.25Å; N68-N230 HydrophobicContact CB-CB 4.43Å; N68-N230 VanDerWaalsContact CG-CG 3.44Å; N68-N230 WeakPolarHBondContact OD1-CA 3.44Å; N68-N230 PolarHBondContact OD1-OD1 3.4Å; P69-N230 WeakPolarHBondContact CD-OD1 3.49Å; S228-N230 PolarHBondContact O-N 3.2Å; S228-N230 PolarHBondContact OG-N 3.35Å; S228-N230 PolarHBondContact OG-O 3.36Å; N230-A232 VanDerWaalsContact C-N 3.25Å; N230-A232 PolarHBondContact O-N 3.25Å; N230-A232 WeakPolarHBondContact OD1-CB 3.4Å; N230-A232 PolarHBondContact OD1-N 2.9Å; N230-R233 HydrophobicContact CB-CB 3.9Å; N230-R233 PolarHBondContact O-N 3.3Å; N230-R233 VanDerWaalsContact O-N 3.16Å; N230-R233 PolarHBondContact OD1-N 3.46Å; N230-S234 PolarHBondContact O-N 3.39Å
231P98.8Very high93.1Very high0 Ų016.6 Ų16.60%010%0.095CC..Hα-helixtrans-57.4-34.2-179.9-26.434.4000114.1N68 P69 A70 S234 L235 W251 P254N68-P231 WeakPolarHBondContact OD1-CD 3.36Å; P69-P231 HydrophobicContact CB-CB 4.41Å; P69-P231 HydrophobicContact CB-CG 4.35Å; P69-P231 HydrophobicContact CG-CB 4.38Å; A70-P231 HydrophobicContact CB-CG 4.43Å; P231-S234 PolarHBondContact O-N 3.16Å; P231-L235 VanDerWaalsContact O-CB 3.3Å; P231-L235 WeakPolarHBondContact O-CB 3.47Å; P231-L235 PolarHBondContact O-N 2.91Å; P231-W251 HydrophobicContact CB-CD2 3.8Å; P231-W251 HydrophobicContact CB-CE3 3.76Å; P231-W251 HydrophobicContact CB-CG 4.36Å; P231-W251 HydrophobicContact CB-CH2 4.23Å; P231-W251 HydrophobicContact CB-CZ2 4.25Å; P231-W251 HydrophobicContact CB-CZ3 3.99Å; P231-W251 HydrophobicContact CG-CE3 4.37Å; P231-P254 HydrophobicContact CG-CB 4.26Å
232A98.4Very high93.4Very high0 Ų019.2 Ų19.20%012%0.123CC..Hα-helixtrans-69-41.5179.100000112T20 P69 Q93 L94 A97 N230 S234 L235 A236T20-A232 HydrophobicContact CG2-CB 4.17Å; P69-A232 HydrophobicContact CG-CB 3.84Å; Q93-A232 HydrophobicContact CB-CB 4.38Å; L94-A232 HydrophobicContact CD2-CB 3.87Å; A97-A232 HydrophobicContact CB-CB 3.85Å; A97-A232 WeakPolarHBondContact CB-O 3.4Å; N230-A232 VanDerWaalsContact C-N 3.25Å; N230-A232 PolarHBondContact O-N 3.25Å; N230-A232 WeakPolarHBondContact OD1-CB 3.4Å; N230-A232 PolarHBondContact OD1-N 2.9Å; A232-S234 VanDerWaalsContact C-N 3.27Å; A232-S234 PolarHBondContact O-N 3.44Å; A232-L235 PolarHBondContact O-N 2.77Å; A232-A236 WeakPolarHBondContact O-CB 3.43Å; A232-A236 PolarHBondContact O-N 3.07Å
233R98.1Very high93.4Very high7 Ų722.2 Ų22.23%0.02614%0.135CC..Hα-helixtrans-61.8-34.7175.6174.5-91-173.5-100.72.9112.5F23 V24 F48 A117 N119 C227 N230 P237F23-R233 HydrophobicContact CE1-CB 4.02Å; F23-R233 HydrophobicContact CE1-CG 4.22Å; V24-R233 HydrophobicContact CG2-CB 4.35Å; F48-R233 HydrophobicContact CE1-CG 4.05Å; A117-R233 PolarHBondContact O-NH1 3.12Å; N119-R233 PolarHBondContact OD1-NH1 2.94Å; N119-R233 VanDerWaalsContact OD1-NH1 3.16Å; C227-R233 PolarHBondContact O-NE 3.15Å; N230-R233 HydrophobicContact CB-CB 3.9Å; N230-R233 PolarHBondContact O-N 3.3Å; N230-R233 VanDerWaalsContact O-N 3.16Å; N230-R233 PolarHBondContact OD1-N 3.46Å; R233-P237 WeakPolarHBondContact O-CD 3.34Å
234S96.9Very high93.9Very high2 Ų225.9 Ų25.91%0.01415%0.151CC..Hα-helixtrans-81.1-38.6178-61.30000112.3N119 S228 N230 P231 A232 A236 P237 A238 H247N119-S234 WeakPolarHBondContact OD1-CB 3.21Å; N119-S234 PolarHBondContact OD1-OG 2.87Å; S228-S234 WeakPolarHBondContact CB-OG 3.45Å; S228-S234 PolarHBondContact OG-OG 3.24Å; N230-S234 PolarHBondContact O-N 3.39Å; P231-S234 PolarHBondContact O-N 3.16Å; A232-S234 VanDerWaalsContact C-N 3.27Å; A232-S234 PolarHBondContact O-N 3.44Å; S234-A236 PolarHBondContact O-N 2.75Å; S234-P237 WeakPolarHBondContact O-CD 3.39Å; S234-A238 WeakPolarHBondContact O-CB 3.43Å; S234-H247 PolarHBondContact O-CE1 3.3Å
235L97.9Very high94Very high32 Ų3228.8 Ų28.817%0.16817%0.17CC..Hα-helixtrans-62.6-41.6177.8-176.669.8000112.1L94 P231 A232 A238 V239 F244 W251L94-L235 HydrophobicContact CD2-CD2 3.78Å; P231-L235 VanDerWaalsContact O-CB 3.3Å; P231-L235 WeakPolarHBondContact O-CB 3.47Å; P231-L235 PolarHBondContact O-N 2.91Å; A232-L235 PolarHBondContact O-N 2.77Å; L235-A238 WeakPolarHBondContact O-CB 3.34Å; L235-A238 PolarHBondContact O-N 2.93Å; L235-V239 HydrophobicContact CD1-CG2 3.76Å; L235-V239 HydrophobicContact CG-CG2 3.83Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 2.87Å; L235-F244 HydrophobicContact CD1-CE1 4.06Å; L235-W251 HydrophobicContact CB-CZ2 4.28Å; L235-W251 HydrophobicContact CD1-CZ2 4.33Å; L235-W251 HydrophobicContact CD2-CZ2 4.15Å; L235-W251 HydrophobicContact CG-CZ2 4.48Å
236A97.6Very high94.3Very high0 Ų032.1 Ų32.10%019%0.187CC..Hα-helixtrans-57.4-57.1-172.600000115.3V24 A97 V98 A101 A232 S234 A238 V239 V240V24-A236 HydrophobicContact CG1-CB 3.93Å; A97-A236 HydrophobicContact CB-CB 3.71Å; A97-A236 WeakPolarHBondContact O-CB 3.37Å; V98-A236 HydrophobicContact CG2-CB 4.44Å; A101-A236 HydrophobicContact CB-CB 3.78Å; A232-A236 WeakPolarHBondContact O-CB 3.43Å; A232-A236 PolarHBondContact O-N 3.07Å; S234-A236 PolarHBondContact O-N 2.75Å; A236-A238 VanDerWaalsContact C-N 3.28Å; A236-A238 PolarHBondContact O-N 3.12Å; A236-V239 PolarHBondContact O-N 3.18Å; A236-V240 WeakPolarHBondContact O-CG2 3.48Å; A236-V240 PolarHBondContact O-N 2.97Å; A236-V240 VanDerWaalsContact O-N 3.17Å
237P92.6Very high94.6Very high0 Ų031.9 Ų31.90%018%0.179CC..Hα-helixtrans-69.7-28178.131.2-36.5000111.8L28 L116 V118 R233 S234 V240 T241L28-P237 HydrophobicContact CD1-CB 3.86Å; L28-P237 HydrophobicContact CD1-CG 4.06Å; L28-P237 HydrophobicContact CD2-CB 4.48Å; L28-P237 HydrophobicContact CD2-CG 4.11Å; L116-P237 HydrophobicContact CB-CB 4.31Å; L116-P237 HydrophobicContact CD2-CB 4.35Å; L116-P237 HydrophobicContact CG-CB 4.45Å; L116-P237 WeakPolarHBondContact O-CB 3.39Å; V118-P237 HydrophobicContact CG2-CB 3.68Å; V118-P237 HydrophobicContact CG2-CG 4.13Å; R233-P237 WeakPolarHBondContact O-CD 3.34Å; S234-P237 WeakPolarHBondContact O-CD 3.39Å; P237-V240 PolarHBondContact O-N 3.49Å; P237-T241 WeakPolarHBondContact O-CB 3.32Å; P237-T241 WeakPolarHBondContact O-CG2 3.27Å; P237-T241 PolarHBondContact O-N 2.84Å; P237-T241 PolarHBondContact O-OG1 2.83Å
238A94.7Very high94.9Very high0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-63.3-44.1174.600000112.1S234 L235 A236 G242 K243 F244S234-A238 WeakPolarHBondContact O-CB 3.43Å; L235-A238 WeakPolarHBondContact O-CB 3.34Å; L235-A238 PolarHBondContact O-N 2.93Å; A236-A238 VanDerWaalsContact C-N 3.28Å; A236-A238 PolarHBondContact O-N 3.12Å; A238-G242 CarbonylContact O-C 3.56Å; A238-G242 VanDerWaalsContact O-CA 3.28Å; A238-G242 WeakPolarHBondContact O-CA 3.46Å; A238-G242 PolarHBondContact O-N 3.31Å; A238-K243 WeakPolarHBondContact CA-O 3.14Å; A238-K243 WeakPolarHBondContact CB-O 3.48Å; A238-K243 PolarHBondContact O-N 3.02Å; A238-F244 HydrophobicContact CB-CD1 4.02Å; A238-F244 HydrophobicContact CB-CE1 3.83Å; A238-F244 HydrophobicContact CB-CG 4.46Å; A238-F244 HydrophobicContact CB-CZ 4.12Å; A238-F244 VanDerWaalsContact O-CE2 3.31Å; A238-F244 WeakPolarHBondContact O-CE2 3.37Å
239V97.6Very high94.9Very high69 Ų6937.8 Ų37.842%0.41820%0.201SC..Hα-helixtrans-64.8-43.7175.71680000111.5V98 L235 A236 F244V98-V239 HydrophobicContact CG1-CG1 4.1Å; V98-V239 HydrophobicContact CG2-CB 4.35Å; V98-V239 HydrophobicContact CG2-CG1 4.38Å; V98-V239 HydrophobicContact CG2-CG2 4.45Å; L235-V239 HydrophobicContact CD1-CG2 3.76Å; L235-V239 HydrophobicContact CG-CG2 3.83Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 2.87Å; A236-V239 PolarHBondContact O-N 3.18Å; V239-F244 HydrophobicContact CG2-CE1 4.4Å; V239-F244 HydrophobicContact CG2-CZ 3.88Å
240V95.9Very high94.8Very high41 Ų4137.6 Ų37.625%0.24820%0.2CC..Hα-helixtrans-70.5-37.5-177.4174.40000112A101 A102 H105 L116 A236 P237A101-V240 HydrophobicContact CB-CG2 3.9Å; A102-V240 HydrophobicContact CB-CG2 4.29Å; H105-V240 HydrophobicContact CB-CG1 3.86Å; L116-V240 HydrophobicContact CD2-CB 4.02Å; L116-V240 HydrophobicContact CD2-CG1 3.7Å; A236-V240 WeakPolarHBondContact O-CG2 3.48Å; A236-V240 PolarHBondContact O-N 2.97Å; A236-V240 VanDerWaalsContact O-N 3.17Å; P237-V240 PolarHBondContact O-N 3.49Å
241T91.4Very high94.8Very high46 Ų4640.8 Ų40.828%0.28221%0.212SC..Hα-helixtrans-97-11-176.4640000114.2L116 V118 P237 K243L116-T241 HydrophobicContact CB-CG2 3.61Å; L116-T241 HydrophobicContact CD2-CG2 4.28Å; V118-T241 HydrophobicContact CG2-CG2 4.4Å; V118-T241 WeakPolarHBondContact CG2-OG1 3.45Å; P237-T241 WeakPolarHBondContact O-CB 3.32Å; P237-T241 WeakPolarHBondContact O-CG2 3.27Å; P237-T241 PolarHBondContact O-N 2.84Å; P237-T241 PolarHBondContact O-OG1 2.83Å; T241-K243 VanDerWaalsContact C-N 3.32Å
242G93.4Very high94.8Very high56 Ų5644.8 Ų44.858%0.57723%0.232SC*.THydrogen-bonded Turntrans7514.1-176.900000114.9A238A238-G242 CarbonylContact O-C 3.56Å; A238-G242 VanDerWaalsContact O-CA 3.28Å; A238-G242 WeakPolarHBondContact O-CA 3.46Å; A238-G242 PolarHBondContact O-N 3.31Å
243K87.7Confident94.7Very high92 Ų9244.8 Ų44.840%0.423%0.232SC..  trans-100.4114.9-177.9-65-176.4179.3-179.60111.8V118 A238 T241V118-K243 HydrophobicContact CG1-CB 4.21Å; V118-K243 HydrophobicContact CG2-CB 4.47Å; A238-K243 WeakPolarHBondContact CA-O 3.14Å; A238-K243 WeakPolarHBondContact CB-O 3.48Å; A238-K243 PolarHBondContact O-N 3.02Å; T241-K243 VanDerWaalsContact C-N 3.32Å
244F92.7Very high94.7Very high103 Ų10344.5 Ų44.545%0.45223%0.231SC..  trans-124.825.3-176-71.2-90.3000113.3L235 A238 V239 D246 H247L235-F244 HydrophobicContact CD1-CE1 4.06Å; A238-F244 HydrophobicContact CB-CD1 4.02Å; A238-F244 HydrophobicContact CB-CE1 3.83Å; A238-F244 HydrophobicContact CB-CG 4.46Å; A238-F244 HydrophobicContact CB-CZ 4.12Å; A238-F244 VanDerWaalsContact O-CE2 3.31Å; A238-F244 WeakPolarHBondContact O-CE2 3.37Å; V239-F244 HydrophobicContact CG2-CE1 4.4Å; V239-F244 HydrophobicContact CG2-CZ 3.88Å; F244-D246 PolarHBondContact O-N 3.18Å; F244-H247 HydrophobicContact CB-CB 4.27Å; F244-H247 HydrophobicContact CD1-CB 4.26Å; F244-H247 AromaticContact CD1-CG 3.87Å; F244-H247 WeakPolarHBondContact O-CB 3.48Å; F244-H247 PolarHBondContact O-N 3.07Å
245D86.8Confident94.8Very high115 Ų11546.3 Ų46.362%0.61524%0.241SC*.THydrogen-bonded Turntrans-60.3126.4179-56-62.7000110.8H247D245-H247 PolarHBondContact O-N 3.03Å
246D91.6Very high94.9Very high71 Ų7147.5 Ų47.538%0.3825%0.249SC..THydrogen-bonded Turntrans49.426.1-177.6-68.9-60.9000115.2P121 F244 W248 V249P121-D246 HydrophobicContact CG-CB 3.53Å; F244-D246 PolarHBondContact O-N 3.18Å; D246-W248 PolarHBondContact O-N 3Å; D246-V249 HydrophobicContact CB-CG2 4.23Å; D246-V249 VanDerWaalsContact O-CB 3.28Å; D246-V249 WeakPolarHBondContact O-CB 3.32Å; D246-V249 WeakPolarHBondContact O-CG2 3.42Å; D246-V249 PolarHBondContact O-N 3.39Å
247H92.8Very high94.9Very high23 Ų2347.5 Ų47.511%0.10625%0.249CC..THydrogen-bonded Turntrans-58.7-28.8-168.6-163.376.4000113.9S234 F244 D245 V249 F250 W251S234-H247 PolarHBondContact O-CE1 3.3Å; F244-H247 HydrophobicContact CB-CB 4.27Å; F244-H247 HydrophobicContact CD1-CB 4.26Å; F244-H247 AromaticContact CD1-CG 3.87Å; F244-H247 WeakPolarHBondContact O-CB 3.48Å; F244-H247 PolarHBondContact O-N 3.07Å; D245-H247 PolarHBondContact O-N 3.03Å; H247-V249 PolarHBondContact O-N 2.8Å; H247-F250 PolarHBondContact O-N 3.37Å; H247-F250 VanDerWaalsContact O-N 3.11Å; H247-W251 AromaticContact CD2-CD1 3.59Å; H247-W251 AromaticContact CD2-NE1 3.23Å; H247-W251 PolarHBondContact CD2-NE1 3.29Å; H247-W251 AromaticContact NE2-CD1 3.79Å; H247-W251 AromaticContact NE2-NE1 3.05Å; H247-W251 PolarHBondContact NE2-NE1 3.43Å
248W96.8Very high95.2Very high127 Ų12747.5 Ų47.548%0.48125%0.249SC..THydrogen-bonded Turntrans-57.6-29.2177.271.9-88.8000113.1A173 V177 D246 F250 W251 I252A173-W248 HydrophobicContact CB-CZ2 3.8Å; V177-W248 HydrophobicContact CB-CH2 4.46Å; V177-W248 HydrophobicContact CB-CZ3 4.39Å; V177-W248 HydrophobicContact CG1-CH2 4.35Å; V177-W248 HydrophobicContact CG2-CZ3 4.16Å; D246-W248 PolarHBondContact O-N 3Å; W248-F250 VanDerWaalsContact C-N 3.26Å; W248-F250 PolarHBondContact O-N 3.45Å; W248-W251 PolarHBondContact O-N 3.11Å; W248-W251 VanDerWaalsContact O-N 3.13Å; W248-I252 HydrophobicContact CE3-CB 4.13Å; W248-I252 HydrophobicContact CE3-CG1 3.87Å; W248-I252 HydrophobicContact CZ3-CB 4.35Å; W248-I252 HydrophobicContact CZ3-CG1 4.43Å; W248-I252 WeakPolarHBondContact O-CG1 3.2Å; W248-I252 PolarHBondContact O-N 3.27Å
249V94.6Very high95.4Very high0 Ų050.3 Ų50.30%026%0.264CS..Hα-helixtrans-57.7-42177171.50000110.7A173 A176 V177 E180 D246 H247 W251 G253 P254A173-V249 HydrophobicContact CB-CG2 3.96Å; A176-V249 HydrophobicContact CB-CG1 3.81Å; V177-V249 HydrophobicContact CB-CG1 4.06Å; E180-V249 HydrophobicContact CG-CG1 4.4Å; D246-V249 HydrophobicContact CB-CG2 4.23Å; D246-V249 VanDerWaalsContact O-CB 3.28Å; D246-V249 WeakPolarHBondContact O-CB 3.32Å; D246-V249 WeakPolarHBondContact O-CG2 3.42Å; D246-V249 PolarHBondContact O-N 3.39Å; H247-V249 PolarHBondContact O-N 2.8Å; V249-W251 PolarHBondContact O-N 3.46Å; V249-G253 PolarHBondContact O-N 2.91Å; V249-P254 WeakPolarHBondContact O-CD 3.43Å
250F96.1Very high95.4Very high1 Ų150.6 Ų50.60%0.00426%0.262CS..Hα-helixtrans-78.7-4.6-177.1-46-50000113.5N119 T225 H247 W248 P254N119-F250 HydrophobicContact CB-CD1 4.09Å; N119-F250 HydrophobicContact CB-CD2 3.96Å; N119-F250 HydrophobicContact CB-CE1 3.74Å; N119-F250 HydrophobicContact CB-CE2 3.57Å; N119-F250 HydrophobicContact CB-CG 4.22Å; N119-F250 HydrophobicContact CB-CZ 3.45Å; N119-F250 VanDerWaalsContact CB-CZ 3.45Å; N119-F250 WeakPolarHBondContact O-CE2 3.44Å; T225-F250 HydrophobicContact CG2-CE1 4.02Å; H247-F250 PolarHBondContact O-N 3.37Å; H247-F250 VanDerWaalsContact O-N 3.11Å; W248-F250 VanDerWaalsContact C-N 3.26Å; W248-F250 PolarHBondContact O-N 3.45Å; F250-P254 WeakPolarHBondContact O-CD 3.43Å; F250-P254 WeakPolarHBondContact O-CG 3.43Å
251W98.2Very high95.5Very high72 Ų7248.6 Ų48.627%0.27325%0.25SS..Hα-helixtrans-100.2-55.5168.9-72.279.7000110.6L94 P231 L235 H247 W248 V249 L255L94-W251 HydrophobicContact CD1-CH2 4.27Å; L94-W251 HydrophobicContact CD2-CH2 3.87Å; L94-W251 HydrophobicContact CD2-CZ2 4.38Å; P231-W251 HydrophobicContact CB-CD2 3.8Å; P231-W251 HydrophobicContact CB-CE3 3.76Å; P231-W251 HydrophobicContact CB-CG 4.36Å; P231-W251 HydrophobicContact CB-CH2 4.23Å; P231-W251 HydrophobicContact CB-CZ2 4.25Å; P231-W251 HydrophobicContact CB-CZ3 3.99Å; P231-W251 HydrophobicContact CG-CE3 4.37Å; L235-W251 HydrophobicContact CB-CZ2 4.28Å; L235-W251 HydrophobicContact CD1-CZ2 4.33Å; L235-W251 HydrophobicContact CD2-CZ2 4.15Å; L235-W251 HydrophobicContact CG-CZ2 4.48Å; H247-W251 AromaticContact CD2-CD1 3.59Å; H247-W251 AromaticContact CD2-NE1 3.23Å; H247-W251 PolarHBondContact CD2-NE1 3.29Å; H247-W251 AromaticContact NE2-CD1 3.79Å; H247-W251 AromaticContact NE2-NE1 3.05Å; H247-W251 PolarHBondContact NE2-NE1 3.43Å; W248-W251 PolarHBondContact O-N 3.11Å; W248-W251 VanDerWaalsContact O-N 3.13Å; V249-W251 PolarHBondContact O-N 3.46Å; W251-L255 HydrophobicContact CE3-CD1 4.33Å; W251-L255 WeakPolarHBondContact O-CB 3.44Å; W251-L255 WeakPolarHBondContact O-CD1 3.28Å; W251-L255 WeakPolarHBondContact O-CG 3.45Å; W251-L255 PolarHBondContact O-N 3.45Å
252I98.2Very high95.8Very high83 Ų8346.4 Ų46.443%0.42624%0.237SC..Hα-helixtrans-66.8-46.9-173.8-61.8-57.2000111.5V177 W248 L255 V256V177-I252 HydrophobicContact CG2-CB 4.19Å; V177-I252 HydrophobicContact CG2-CG2 4.01Å; W248-I252 HydrophobicContact CE3-CB 4.13Å; W248-I252 HydrophobicContact CE3-CG1 3.87Å; W248-I252 HydrophobicContact CZ3-CB 4.35Å; W248-I252 HydrophobicContact CZ3-CG1 4.43Å; W248-I252 WeakPolarHBondContact O-CG1 3.2Å; W248-I252 PolarHBondContact O-N 3.27Å; I252-L255 PolarHBondContact O-N 3.3Å; I252-V256 HydrophobicContact CG2-CG2 4Å; I252-V256 VanDerWaalsContact O-CB 3.29Å; I252-V256 WeakPolarHBondContact O-CB 3.38Å; I252-V256 WeakPolarHBondContact O-CG2 3.28Å; I252-V256 PolarHBondContact O-N 3Å
253G97.5Very high96Very high1 Ų147.2 Ų47.21%0.0123%0.228CC..Hα-helixtrans-56.9-58.3-179.200000111.2L181 V249 L255 V256 G257L181-G253 WeakPolarHBondContact CA-O 3.23Å; V249-G253 PolarHBondContact O-N 2.91Å; G253-L255 PolarHBondContact O-N 3.01Å; G253-V256 PolarHBondContact O-N 2.98Å; G253-G257 PolarHBondContact O-N 3.49Å
254P98.5Very high96.4Very high0 Ų045.9 Ų45.90%022%0.224CC..Hα-helixtrans-62-43.8179.3-27.838.7000114.4A70 E180 T184 P231 V249 F250 G257 A258A70-P254 HydrophobicContact CB-CB 3.89Å; E180-P254 HydrophobicContact CB-CG 4.39Å; T184-P254 HydrophobicContact CG2-CB 4.09Å; T184-P254 WeakPolarHBondContact CG2-O 3.47Å; T184-P254 VanDerWaalsContact OG1-CA 3.29Å; T184-P254 WeakPolarHBondContact OG1-CA 3.47Å; T184-P254 WeakPolarHBondContact OG1-CB 3.33Å; P231-P254 HydrophobicContact CG-CB 4.26Å; V249-P254 WeakPolarHBondContact O-CD 3.43Å; F250-P254 WeakPolarHBondContact O-CD 3.43Å; F250-P254 WeakPolarHBondContact O-CG 3.43Å; P254-G257 PolarHBondContact O-N 3.37Å; P254-A258 WeakPolarHBondContact O-CB 3.32Å; P254-A258 PolarHBondContact O-N 3.46Å
255L98.8Very high96.6Very high41 Ų4142.3 Ų42.322%0.21521%0.208CC..Hα-helixtrans-63.3-45.5-179.8-72.5169000111.9A70 V73 W251 I252 G253 A258 I259A70-L255 HydrophobicContact CB-CD2 4.4Å; V73-L255 HydrophobicContact CB-CD2 4.1Å; V73-L255 HydrophobicContact CG1-CD2 4.32Å; V73-L255 HydrophobicContact CG2-CD2 3.87Å; W251-L255 HydrophobicContact CE3-CD1 4.33Å; W251-L255 WeakPolarHBondContact O-CB 3.44Å; W251-L255 WeakPolarHBondContact O-CD1 3.28Å; W251-L255 WeakPolarHBondContact O-CG 3.45Å; W251-L255 PolarHBondContact O-N 3.45Å; I252-L255 PolarHBondContact O-N 3.3Å; G253-L255 PolarHBondContact O-N 3.01Å; L255-A258 PolarHBondContact O-N 2.83Å; L255-I259 WeakPolarHBondContact O-CB 3.42Å; L255-I259 WeakPolarHBondContact O-CD1 3.38Å; L255-I259 WeakPolarHBondContact O-CG1 3.28Å; L255-I259 PolarHBondContact O-N 3.35Å
256V98.6Very high96.9Very high57 Ų5736.9 Ų36.935%0.34518%0.179SC..Hα-helixtrans-66-45.6178.8174.60000110.5L181 I252 G253 A258 I259 L260L181-V256 HydrophobicContact CD1-CB 4.37Å; L181-V256 HydrophobicContact CD1-CG1 3.65Å; L181-V256 HydrophobicContact CG-CG1 4.25Å; I252-V256 HydrophobicContact CG2-CG2 4Å; I252-V256 VanDerWaalsContact O-CB 3.29Å; I252-V256 WeakPolarHBondContact O-CB 3.38Å; I252-V256 WeakPolarHBondContact O-CG2 3.28Å; I252-V256 PolarHBondContact O-N 3Å; G253-V256 PolarHBondContact O-N 2.98Å; V256-A258 VanDerWaalsContact C-N 3.3Å; V256-A258 PolarHBondContact O-N 2.99Å; V256-I259 PolarHBondContact O-N 2.68Å; V256-L260 HydrophobicContact CG1-CD1 3.93Å; V256-L260 HydrophobicContact CG1-CG 4.35Å; V256-L260 WeakPolarHBondContact O-CB 3.01Å; V256-L260 VanDerWaalsContact O-CG 3.31Å; V256-L260 WeakPolarHBondContact O-CG 3.43Å; V256-L260 PolarHBondContact O-N 2.9Å
257G98.5Very high96.9Very high0 Ų038.4 Ų38.40%018%0.18CC..Hα-helixtrans-58.4-42.5176.400000112.6L181 L185 G253 P254 L260 G261L181-G257 VanDerWaalsContact O-CA 3.3Å; L181-G257 WeakPolarHBondContact O-CA 3.4Å; L185-G257 WeakPolarHBondContact CA-O 3.19Å; G253-G257 PolarHBondContact O-N 3.49Å; P254-G257 PolarHBondContact O-N 3.37Å; G257-L260 PolarHBondContact O-N 2.91Å; G257-G261 PolarHBondContact O-N 3.48Å
258A98.6Very high97Very high0 Ų042.1 Ų42.10%020%0.204CC..Hα-helixtrans-68.3-43.517900000112.9A70 A74 T184 V188 P254 L255 V256 G261 S262A70-A258 HydrophobicContact CB-CB 3.84Å; A70-A258 WeakPolarHBondContact O-CB 3.21Å; A74-A258 HydrophobicContact CB-CB 4Å; A74-A258 WeakPolarHBondContact CB-O 3.15Å; T184-A258 HydrophobicContact CG2-CB 3.95Å; V188-A258 HydrophobicContact CG2-CB 3.8Å; P254-A258 WeakPolarHBondContact O-CB 3.32Å; P254-A258 PolarHBondContact O-N 3.46Å; L255-A258 PolarHBondContact O-N 2.83Å; V256-A258 VanDerWaalsContact C-N 3.3Å; V256-A258 PolarHBondContact O-N 2.99Å; A258-G261 PolarHBondContact O-N 3.5Å; A258-S262 WeakPolarHBondContact O-CB 3.33Å; A258-S262 PolarHBondContact O-N 3.36Å
259I98.6Very high96.9Very high59 Ų5941 Ų4130%0.30321%0.207SC..Hα-helixtrans-61.7-46.4174.9-68.4165.6000110V73 V77 L255 V256 S262 L263V73-I259 HydrophobicContact CG1-CD1 4.09Å; V73-I259 HydrophobicContact CG1-CG1 3.86Å; V77-I259 HydrophobicContact CG2-CG1 4.27Å; L255-I259 WeakPolarHBondContact O-CB 3.42Å; L255-I259 WeakPolarHBondContact O-CD1 3.38Å; L255-I259 WeakPolarHBondContact O-CG1 3.28Å; L255-I259 PolarHBondContact O-N 3.35Å; V256-I259 PolarHBondContact O-N 2.68Å; I259-S262 WeakPolarHBondContact O-CB 3.31Å; I259-S262 PolarHBondContact O-N 2.94Å; I259-L263 HydrophobicContact CG2-CD1 3.96Å; I259-L263 HydrophobicContact CG2-CG 4.35Å; I259-L263 WeakPolarHBondContact O-CG 3.29Å; I259-L263 PolarHBondContact O-N 3.24Å
260L98.3Very high96.8Very high74 Ų7445.8 Ų45.839%0.38723%0.228SC..Hα-helixtrans-61.1-45.4177.2-74174.8000112L181 L185 V256 G257 S262 L263 L264L181-L260 HydrophobicContact CD1-CD1 4.18Å; L181-L260 HydrophobicContact CD2-CD1 4.11Å; L181-L260 HydrophobicContact CG-CD1 4.35Å; L185-L260 HydrophobicContact CD1-CB 4.04Å; V256-L260 HydrophobicContact CG1-CD1 3.93Å; V256-L260 HydrophobicContact CG1-CG 4.35Å; V256-L260 WeakPolarHBondContact O-CB 3.01Å; V256-L260 VanDerWaalsContact O-CG 3.31Å; V256-L260 WeakPolarHBondContact O-CG 3.43Å; V256-L260 PolarHBondContact O-N 2.9Å; G257-L260 PolarHBondContact O-N 2.91Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 3.42Å; L260-L263 PolarHBondContact O-N 3.32Å; L260-L264 VanDerWaalsContact O-CB 3.23Å; L260-L264 WeakPolarHBondContact O-CB 3.42Å; L260-L264 PolarHBondContact O-N 2.95Å
261G97.9Very high96.6Very high0 Ų049.3 Ų49.30%025%0.251CS..Hα-helixtrans-59.3-41.2175.300000112.4L189 G257 A258 Y265L189-G261 WeakPolarHBondContact CD2-O 3.49Å; G257-G261 PolarHBondContact O-N 3.48Å; A258-G261 PolarHBondContact O-N 3.5Å; G261-Y265 WeakPolarHBondContact O-CB 3.22Å; G261-Y265 PolarHBondContact O-N 2.71Å
262S97.3Very high95.7Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-64.8-46.2175.4-172.80000113A74 G78 A258 I259 L260 N266A74-S262 WeakPolarHBondContact O-CB 3.45Å; A74-S262 PolarHBondContact O-OG 3.21Å; G78-S262 WeakPolarHBondContact CA-OG 2.99Å; G78-S262 PolarHBondContact N-OG 2.67Å; A258-S262 WeakPolarHBondContact O-CB 3.33Å; A258-S262 PolarHBondContact O-N 3.36Å; I259-S262 WeakPolarHBondContact O-CB 3.31Å; I259-S262 PolarHBondContact O-N 2.94Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 3.42Å; S262-N266 VanDerWaalsContact O-CB 3.28Å; S262-N266 WeakPolarHBondContact O-CB 3.26Å; S262-N266 PolarHBondContact O-N 2.85Å; S262-N266 PolarHBondContact O-ND2 3.25Å; S262-N266 PolarHBondContact OG-ND2 3.5Å
263L97.3Very high94.9Very high73 Ų7348.4 Ų48.438%0.38227%0.27SS..Hα-helixtrans-63.8-44.9178.1-69.6175000111.2V77 I259 L260 Y265 Y267V77-L263 HydrophobicContact CG1-CD2 3.77Å; V77-L263 HydrophobicContact CG1-CG 4.12Å; I259-L263 HydrophobicContact CG2-CD1 3.96Å; I259-L263 HydrophobicContact CG2-CG 4.35Å; I259-L263 WeakPolarHBondContact O-CG 3.29Å; I259-L263 PolarHBondContact O-N 3.24Å; L260-L263 PolarHBondContact O-N 3.32Å; L263-Y265 PolarHBondContact O-N 2.92Å; L263-Y267 HydrophobicContact CD2-CD2 3.92Å; L263-Y267 HydrophobicContact CD2-CE2 3.88Å; L263-Y267 WeakPolarHBondContact O-CB 3.22Å; L263-Y267 PolarHBondContact O-N 3.23Å
264L97.4Very high94Very high63 Ų6351.9 Ų51.933%0.3329%0.285SS..Iπ-helixtrans-61.5-47.3-179.8-172.265.4000111.2L189 L260 V268 L269L189-L264 HydrophobicContact CD1-CD2 4.2Å; L189-L264 HydrophobicContact CD2-CB 4.45Å; L189-L264 HydrophobicContact CD2-CD2 4.26Å; L260-L264 VanDerWaalsContact O-CB 3.23Å; L260-L264 WeakPolarHBondContact O-CB 3.42Å; L260-L264 PolarHBondContact O-N 2.95Å; L264-V268 HydrophobicContact CD1-CB 4.03Å; L264-V268 HydrophobicContact CD1-CG1 4.17Å; L264-V268 HydrophobicContact CD1-CG2 4.29Å; L264-V268 WeakPolarHBondContact O-CB 3.39Å; L264-V268 PolarHBondContact O-N 3.38Å; L264-L269 HydrophobicContact CD1-CG 4.43Å; L264-L269 HydrophobicContact CD2-CD1 4.35Å; L264-L269 HydrophobicContact CG-CD1 3.94Å; L264-L269 HydrophobicContact CG-CG 4.12Å; L264-L269 WeakPolarHBondContact O-CG 3.34Å; L264-L269 PolarHBondContact O-N 3.49Å
265Y95.9Very high93.4Very high28 Ų2854.2 Ų54.211%0.1130%0.301CS..Iπ-helixtrans-68.7-51.4179.8-164.4-91.2000112.4L189 F192 A193 D196 G261 L263 Y267 F270L189-Y265 HydrophobicContact CD2-CD2 4.38Å; F192-Y265 HydrophobicContact CB-CD1 3.55Å; F192-Y265 HydrophobicContact CB-CD2 4.06Å; F192-Y265 HydrophobicContact CB-CE1 3.79Å; F192-Y265 HydrophobicContact CB-CE2 4.29Å; F192-Y265 HydrophobicContact CB-CG 3.69Å; F192-Y265 HydrophobicContact CD2-CG 4.41Å; F192-Y265 HydrophobicContact CG-CD1 4.15Å; F192-Y265 HydrophobicContact CG-CG 4.35Å; A193-Y265 WeakPolarHBondContact CA-OH 3.49Å; A193-Y265 HydrophobicContact CB-CE2 3.91Å; D196-Y265 WeakPolarHBondContact OD2-CE1 3.28Å; D196-Y265 PolarHBondContact OD2-OH 3.44Å; G261-Y265 WeakPolarHBondContact O-CB 3.22Å; G261-Y265 PolarHBondContact O-N 2.71Å; L263-Y265 PolarHBondContact O-N 2.92Å; Y265-Y267 PolarHBondContact O-N 3.27Å; Y265-F270 HydrophobicContact CE1-CB 4.42Å; Y265-F270 CarbonylContact O-C 3.34Å; Y265-F270 PolarHBondContact O-N 2.93Å
266N92.8Very high92.7Very high1 Ų159.1 Ų59.11%0.00533%0.327CS..Iπ-helixtrans-84.2-11.1-167.7-63.1-70.5000114.5H80 S262 P271 P272H80-N266 PolarHBondContact NE2-OD1 3.5Å; S262-N266 VanDerWaalsContact O-CB 3.28Å; S262-N266 WeakPolarHBondContact O-CB 3.26Å; S262-N266 PolarHBondContact O-N 2.85Å; S262-N266 PolarHBondContact O-ND2 3.25Å; S262-N266 PolarHBondContact OG-ND2 3.5Å; N266-P271 VanDerWaalsContact O-CA 3.31Å; N266-P271 WeakPolarHBondContact O-CA 3.38Å; N266-P272 WeakPolarHBondContact O-CD 3.44Å
267Y92.7Very high92.1Very high103 Ų10360.4 Ų60.440%0.40434%0.338SS..Iπ-helixtrans-130.9-19.8-177.6-59.2-92.2000114.2V77 L263 Y265 R279V77-Y267 PolarHBondContact O-OH 2.82Å; L263-Y267 HydrophobicContact CD2-CD2 3.92Å; L263-Y267 HydrophobicContact CD2-CE2 3.88Å; L263-Y267 WeakPolarHBondContact O-CB 3.22Å; L263-Y267 PolarHBondContact O-N 3.23Å; Y265-Y267 PolarHBondContact O-N 3.27Å; Y267-R279 PolarHBondContact OH-NH1 3.04Å
268V95.4Very high91.4Very high102 Ų10264.7 Ų64.762%0.61836%0.358SS*.Iπ-helixtrans-110.5-56.6-179.1-176.10000111.3L264L264-V268 HydrophobicContact CD1-CB 4.03Å; L264-V268 HydrophobicContact CD1-CG1 4.17Å; L264-V268 HydrophobicContact CD1-CG2 4.29Å; L264-V268 WeakPolarHBondContact O-CB 3.39Å; L264-V268 PolarHBondContact O-N 3.38Å
269L93.9Very high90.8Very high104 Ų10466.2 Ų66.255%0.54536%0.364SS..Iπ-helixtrans-79.6-50.4-171.9-63.5176.2000112.4L189 L264L189-L269 HydrophobicContact CD2-CD1 4.47Å; L264-L269 HydrophobicContact CD1-CG 4.43Å; L264-L269 HydrophobicContact CD2-CD1 4.35Å; L264-L269 HydrophobicContact CG-CD1 3.94Å; L264-L269 HydrophobicContact CG-CG 4.12Å; L264-L269 WeakPolarHBondContact O-CG 3.34Å; L264-L269 PolarHBondContact O-N 3.49Å
270F92.3Very high90.2Very high99 Ų9967.9 Ų67.943%0.43437%0.373SS..SBendtrans-143.465.7-172.9-150.7-128.7000112.5R198 Y265R198-F270 HydrophobicContact CB-CE1 3.8Å; R198-F270 HydrophobicContact CB-CZ 4.43Å; R198-F270 HydrophobicContact CG-CE1 4.35Å; R198-F270 VanDerWaalsContact NE-CE1 3.26Å; R198-F270 VanDerWaalsContact NH1-CD1 3.35Å; R198-F270 PolarHBondContact NH1-O 2.9Å; R198-F270 PolarHBondContact NH2-O 3.48Å; Y265-F270 HydrophobicContact CE1-CB 4.42Å; Y265-F270 CarbonylContact O-C 3.34Å; Y265-F270 PolarHBondContact O-N 2.93Å
271P91.4Very high89.7Confident75 Ų7565.4 Ų65.449%0.48736%0.363SS..  trans-64.6131-174.926.6-33.9000112.1R198 N266R198-P271 PolarHBondContact NH1-O 2.86Å; N266-P271 VanDerWaalsContact O-CA 3.31Å; N266-P271 WeakPolarHBondContact O-CA 3.38Å
272P80.4Confident89.1Confident25 Ų2566.9 Ų66.916%0.16237%0.372CS..  trans-77.5145.117431.4-32.1000110.3N266 K274N266-P272 WeakPolarHBondContact O-CD 3.44Å; P272-K274 HydrophobicContact CB-CG 4.23Å; P272-K274 HydrophobicContact CG-CD 4.46Å; P272-K274 HydrophobicContact CG-CG 4.47Å; P272-K274 PolarHBondContact O-N 2.97Å
273A80.1Confident88.6Confident112 Ų11270.1 Ų70.193%0.92639%0.389SS*.  trans-74.948.5175.400000112.3
274K80.1Confident88.1Confident74 Ų7473.8 Ų73.832%0.32240%0.401SS..  trans-92.3126.3175.6-67.7-178.7-177.2-178.40110.3C79 P272 E278 R279C79-K274 PolarHBondContact O-NZ 3.16Å; P272-K274 HydrophobicContact CB-CG 4.23Å; P272-K274 HydrophobicContact CG-CD 4.46Å; P272-K274 HydrophobicContact CG-CG 4.47Å; P272-K274 PolarHBondContact O-N 2.97Å; K274-E278 WeakPolarHBondContact CA-OE2 3.38Å; K274-R279 HydrophobicContact CB-CG 4.05Å; K274-R279 PolarHBondContact O-NE 3.34Å
275S84.6Confident87.2Confident49 Ų4971.3 Ų71.334%0.34339%0.392SS..  trans-63.1161.3169.767.10000112.1S277 E278 R279S275-S277 VanDerWaalsContact C-N 3.28Å; S275-S277 PolarHBondContact O-N 2.73Å; S275-S277 PolarHBondContact OG-OG 2.72Å; S275-E278 WeakPolarHBondContact CB-OE2 3.3Å; S275-E278 PolarHBondContact N-OE2 3.49Å; S275-E278 PolarHBondContact O-N 3.07Å; S275-E278 VanDerWaalsContact OG-CG 3.22Å; S275-E278 WeakPolarHBondContact OG-CG 3.49Å; S275-E278 PolarHBondContact OG-N 3.37Å; S275-E278 PolarHBondContact OG-OE2 3.36Å; S275-R279 WeakPolarHBondContact O-CG 3.22Å; S275-R279 PolarHBondContact O-N 2.93Å; S275-R279 VanDerWaalsContact O-N 3.11Å
276L84.1Confident86.2Confident144 Ų14474.4 Ų74.475%0.75441%0.41SS*.Hα-helixtrans-61.5-36.8176.9-70174.8000112.3R279 L280L276-R279 PolarHBondContact O-N 3.33Å; L276-L280 WeakPolarHBondContact O-CB 3.18Å; L276-L280 VanDerWaalsContact O-CG 3.32Å; L276-L280 WeakPolarHBondContact O-CG 3.34Å; L276-L280 PolarHBondContact O-N 2.83Å
277S86Confident84.5Confident84 Ų8475.9 Ų75.959%0.58742%0.416SS*.Hα-helixtrans-63-43.6176.336.90000112.2S275 L280 A281S275-S277 VanDerWaalsContact C-N 3.28Å; S275-S277 PolarHBondContact O-N 2.73Å; S275-S277 PolarHBondContact OG-OG 2.72Å; S277-L280 PolarHBondContact O-N 2.66Å; S277-A281 WeakPolarHBondContact O-CB 3.38Å; S277-A281 PolarHBondContact O-N 3Å
278E84.9Confident82.8Confident89 Ų8973.5 Ų73.542%0.41641%0.414SS..Hα-helixtrans-66.1-41.2177.8-71.4161.5147.700111.5K274 S275 L280 A281 V282K274-E278 WeakPolarHBondContact CA-OE2 3.38Å; S275-E278 WeakPolarHBondContact CB-OE2 3.3Å; S275-E278 PolarHBondContact N-OE2 3.49Å; S275-E278 PolarHBondContact O-N 3.07Å; S275-E278 VanDerWaalsContact OG-CG 3.22Å; S275-E278 WeakPolarHBondContact OG-CG 3.49Å; S275-E278 PolarHBondContact OG-N 3.37Å; S275-E278 PolarHBondContact OG-OE2 3.36Å; E278-L280 VanDerWaalsContact C-N 3.33Å; E278-L280 PolarHBondContact O-N 3.09Å; E278-A281 WeakPolarHBondContact O-CB 3.21Å; E278-A281 PolarHBondContact O-N 2.9Å; E278-V282 WeakPolarHBondContact O-CG2 3.39Å; E278-V282 PolarHBondContact O-N 2.88Å
279R85.3Confident80.7Confident33 Ų3375.3 Ų75.313%0.12542%0.419CS..Hα-helixtrans-60.6-43.3175.1-69.5173.9-177.8-95.53.5111.6C79 Y267 K274 S275 L276 A281 V282 L283C79-R279 HydrophobicContact CB-CB 4.41Å; C79-R279 HydrophobicContact CB-CG 4.31Å; Y267-R279 PolarHBondContact OH-NH1 3.04Å; K274-R279 HydrophobicContact CB-CG 4.05Å; K274-R279 PolarHBondContact O-NE 3.34Å; S275-R279 WeakPolarHBondContact O-CG 3.22Å; S275-R279 PolarHBondContact O-N 2.93Å; S275-R279 VanDerWaalsContact O-N 3.11Å; L276-R279 PolarHBondContact O-N 3.33Å; R279-A281 VanDerWaalsContact C-N 3.35Å; R279-V282 PolarHBondContact O-N 3.01Å; R279-L283 PolarHBondContact O-N 3.35Å
280L87.2Confident78.7Confident94 Ų9474.3 Ų74.349%0.49242%0.418SS..Hα-helixtrans-66.9-34.7175.4-73.1170.1000112.5L276 S277 E278 L283 K284L276-L280 WeakPolarHBondContact O-CB 3.18Å; L276-L280 VanDerWaalsContact O-CG 3.32Å; L276-L280 WeakPolarHBondContact O-CG 3.34Å; L276-L280 PolarHBondContact O-N 2.83Å; S277-L280 PolarHBondContact O-N 2.66Å; E278-L280 VanDerWaalsContact C-N 3.33Å; E278-L280 PolarHBondContact O-N 3.09Å; L280-L283 PolarHBondContact O-N 3.26Å; L280-K284 WeakPolarHBondContact O-CB 3.16Å; L280-K284 VanDerWaalsContact O-CG 3.32Å; L280-K284 WeakPolarHBondContact O-CG 3.12Å; L280-K284 PolarHBondContact O-N 2.94Å; L280-K284 VanDerWaalsContact O-N 3.09Å
281A86.1Confident76.7Confident21 Ų2172.1 Ų72.117%0.17441%0.411CS..Hα-helixtrans-63.5-49.2175.400000110.9S277 E278 R279 L283 K284 G285 L286S277-A281 WeakPolarHBondContact O-CB 3.38Å; S277-A281 PolarHBondContact O-N 3Å; E278-A281 WeakPolarHBondContact O-CB 3.21Å; E278-A281 PolarHBondContact O-N 2.9Å; R279-A281 VanDerWaalsContact C-N 3.35Å; A281-L283 VanDerWaalsContact C-N 3.33Å; A281-L283 PolarHBondContact O-N 2.81Å; A281-K284 CarbonylContact O-C 3.47Å; A281-K284 PolarHBondContact O-N 3.35Å; A281-K284 VanDerWaalsContact O-N 3.16Å; A281-G285 PolarHBondContact O-N 3.1Å; A281-G285 VanDerWaalsContact O-N 3.1Å; A281-L286 HydrophobicContact CB-CB 4.2Å; A281-L286 PolarHBondContact O-N 3.3Å
282V86.4Confident74.8Confident31 Ų3175.2 Ų75.219%0.18841%0.413CS..Hα-helixtrans-57.8-46.7175.81760000111C79 S82 E278 R279 K284 G285C79-V282 WeakPolarHBondContact O-CG1 3.5Å; S82-V282 VanDerWaalsContact CA-O 3.28Å; S82-V282 WeakPolarHBondContact CA-O 3.43Å; S82-V282 WeakPolarHBondContact CB-O 3.31Å; E278-V282 WeakPolarHBondContact O-CG2 3.39Å; E278-V282 PolarHBondContact O-N 2.88Å; R279-V282 PolarHBondContact O-N 3.01Å; V282-K284 VanDerWaalsContact C-N 3.25Å; V282-K284 PolarHBondContact O-N 2.94Å; V282-G285 PolarHBondContact O-N 2.66Å
283L87.4Confident73.5Confident68 Ų6881 Ų8136%0.35644%0.437SS..Hα-helixtrans-58.8-38.4179.9-173.765.7000112.3L76 F83 R279 L280 A281 G285L76-L283 HydrophobicContact CD1-CD1 3.57Å; L76-L283 HydrophobicContact CG-CD1 4.48Å; F83-L283 HydrophobicContact CB-CD1 4.1Å; F83-L283 PolarHBondContact N-O 3.35Å; R279-L283 PolarHBondContact O-N 3.35Å; L280-L283 PolarHBondContact O-N 3.26Å; A281-L283 VanDerWaalsContact C-N 3.33Å; A281-L283 PolarHBondContact O-N 2.81Å; L283-G285 VanDerWaalsContact C-N 3.28Å; L283-G285 PolarHBondContact O-N 3.43Å
284K85.7Confident72.4Confident150 Ų15081.2 Ų81.265%0.65242%0.419SS*.Hα-helixtrans-78.3-7.3177.1-70.8176.9-179179.20113.7L280 A281 V282 L286L280-K284 WeakPolarHBondContact O-CB 3.16Å; L280-K284 VanDerWaalsContact O-CG 3.32Å; L280-K284 WeakPolarHBondContact O-CG 3.12Å; L280-K284 PolarHBondContact O-N 2.94Å; L280-K284 VanDerWaalsContact O-N 3.09Å; A281-K284 CarbonylContact O-C 3.47Å; A281-K284 PolarHBondContact O-N 3.35Å; A281-K284 VanDerWaalsContact O-N 3.16Å; V282-K284 VanDerWaalsContact C-N 3.25Å; V282-K284 PolarHBondContact O-N 2.94Å; K284-L286 HydrophobicContact CB-CD1 3.97Å; K284-L286 HydrophobicContact CB-CG 3.8Å; K284-L286 HydrophobicContact CD-CD1 3.95Å; K284-L286 PolarHBondContact O-N 2.86Å
285G79.5Confident71.3Confident12 Ų1282.8 Ų82.812%0.12442%0.423CS..THydrogen-bonded Turntrans66.729.1-172.200000112.4W2 A281 V282 L283W2-G285 PolarHBondContact NE1-O 3.29Å; W2-G285 VanDerWaalsContact NE1-O 3.15Å; A281-G285 PolarHBondContact O-N 3.1Å; A281-G285 VanDerWaalsContact O-N 3.1Å; V282-G285 PolarHBondContact O-N 2.66Å; L283-G285 VanDerWaalsContact C-N 3.28Å; L283-G285 PolarHBondContact O-N 3.43Å
286L74.2Confident70Confident93 Ų9383.6 Ų83.649%0.48742%0.422SS..PPolyproline II helixtrans-85.9132.2171.2-60.5175000107.8A281 K284A281-L286 HydrophobicContact CB-CB 4.2Å; A281-L286 PolarHBondContact O-N 3.3Å; K284-L286 HydrophobicContact CB-CD1 3.97Å; K284-L286 HydrophobicContact CB-CG 3.8Å; K284-L286 HydrophobicContact CD-CD1 3.95Å; K284-L286 PolarHBondContact O-N 2.86Å
287E57.9Low69.1Low32 Ų3280.2 Ų80.215%0.1541%0.407CS..PPolyproline II helixtrans-67.6133.5175.4-148.9154.3-135.600108.3W2 D289 D291 W292 R295W2-E287 HydrophobicContact CZ2-CB 4.28Å; E287-D289 PolarHBondContact O-N 3.43Å; E287-D291 HydrophobicContact CG-CB 3.97Å; E287-W292 WeakPolarHBondContact OE2-CZ2 3.34Å; E287-W292 PolarHBondContact OE2-NE1 3.03Å; E287-R295 IonicContact OE1-CZ 2.66Å; E287-R295 IonicContact OE1-NH1 3.26Å; E287-R295 PolarHBondContact OE1-NH1 2.84Å; E287-R295 IonicContact OE1-NH2 3.65Å; E287-R295 PolarHBondContact OE1-NH2 2.9Å; E287-R295 IonicContact OE2-NH1 3.78Å
288P55.7Low67.8Low53 Ų5384.2 Ų84.234%0.34441%0.409SS..PPolyproline II helixtrans-59.1136.2169.6-17.830000109.2T290 D291P288-T290 PolarHBondContact O-N 3.01Å; P288-D291 PolarHBondContact O-N 2.91Å
289D51.9Low66.5Low139 Ų13986.5 Ų86.574%0.74341%0.414SS*.Hα-helixtrans-56.7-23.9-178.7-75-36.6000112.9E287 D291 W292E287-D289 PolarHBondContact O-N 3.43Å; D289-D291 VanDerWaalsContact C-N 3.35Å; D289-D291 PolarHBondContact O-N 3.41Å; D289-W292 PolarHBondContact O-N 3.09Å
290T51.3Low65.3Low83 Ų8392.3 Ų92.351%0.50944%0.436SS..Hα-helixtrans-64.7-3217754.20000113.8P288 W292 E293 E294P288-T290 PolarHBondContact O-N 3.01Å; T290-W292 VanDerWaalsContact C-N 3.29Å; T290-W292 PolarHBondContact O-N 2.98Å; T290-E293 PolarHBondContact O-N 3.2Å; T290-E294 PolarHBondContact O-N 3.31Å
291D51.6Low63.9Low53 Ų5393 Ų9328%0.28344%0.437SS..Hα-helixtrans-68.3-30.5178.6-108.334.7000111.5E287 P288 D289 R295E287-D291 HydrophobicContact CG-CB 3.97Å; P288-D291 PolarHBondContact O-N 2.91Å; D289-D291 VanDerWaalsContact C-N 3.35Å; D289-D291 PolarHBondContact O-N 3.41Å; D291-R295 WeakPolarHBondContact O-CB 3.2Å; D291-R295 WeakPolarHBondContact O-CG 3.09Å; D291-R295 PolarHBondContact O-N 3.2Å; D291-R295 IonicContact OD2-CZ 2.77Å; D291-R295 IonicContact OD2-NE 3.75Å; D291-R295 IonicContact OD2-NH2 2.93Å; D291-R295 PolarHBondContact OD2-NH2 3.04Å
292W49.9Very low62Low141 Ų14195 Ų9553%0.53445%0.449SS..Hα-helixtrans-67.6-44.8175.5-76.3103.8000111.4E287 D289 T290 E296E287-W292 WeakPolarHBondContact OE2-CZ2 3.34Å; E287-W292 PolarHBondContact OE2-NE1 3.03Å; D289-W292 PolarHBondContact O-N 3.09Å; T290-W292 VanDerWaalsContact C-N 3.29Å; T290-W292 PolarHBondContact O-N 2.98Å; W292-E296 WeakPolarHBondContact O-CB 3.08Å; W292-E296 PolarHBondContact O-N 2.81Å
293E52.8Low60.6Low145 Ų14598.2 Ų98.268%0.67847%0.469SS*.Hα-helixtrans-64.3-46.8176.7-71.2-169154.700111.2T290 E296 V297T290-E293 PolarHBondContact O-N 3.2Å; E293-E296 PolarHBondContact O-N 3.36Å; E293-V297 WeakPolarHBondContact O-CB 3.19Å; E293-V297 WeakPolarHBondContact O-CG2 3.32Å; E293-V297 PolarHBondContact O-N 2.86Å
294E57.8Low59.1Low117 Ų117101.9 Ų101.955%0.54748%0.484SS..Hα-helixtrans-66.1-39.9178.6-76.2-168-178.300113.2T290 V297 R298T290-E294 PolarHBondContact O-N 3.31Å; E294-V297 PolarHBondContact O-N 2.87Å; E294-R298 WeakPolarHBondContact O-CB 3.19Å; E294-R298 PolarHBondContact O-N 2.79Å
295R56.8Low57.4Low108 Ų108101.9 Ų101.941%0.40849%0.49SS..Hα-helixtrans-68-37.3175.1-74.6176-170.4175.916111.8E287 D291 R298 R299E287-R295 IonicContact OE1-CZ 2.66Å; E287-R295 IonicContact OE1-NH1 3.26Å; E287-R295 PolarHBondContact OE1-NH1 2.84Å; E287-R295 IonicContact OE1-NH2 3.65Å; E287-R295 PolarHBondContact OE1-NH2 2.9Å; E287-R295 IonicContact OE2-NH1 3.78Å; D291-R295 WeakPolarHBondContact O-CB 3.2Å; D291-R295 WeakPolarHBondContact O-CG 3.09Å; D291-R295 PolarHBondContact O-N 3.2Å; D291-R295 IonicContact OD2-CZ 2.77Å; D291-R295 IonicContact OD2-NE 3.75Å; D291-R295 IonicContact OD2-NH2 2.93Å; D291-R295 PolarHBondContact OD2-NH2 3.04Å; R295-R298 PolarHBondContact O-N 3.4Å; R295-R299 WeakPolarHBondContact O-CB 3.39Å; R295-R299 PolarHBondContact O-N 3.43Å
296E58Low55.9Low66 Ų66109.1 Ų109.131%0.30852%0.52SS..Hα-helixtrans-68.6-38.7175.8-171.561.8-164.900110.8W292 E293 R299 R300W292-E296 WeakPolarHBondContact O-CB 3.08Å; W292-E296 PolarHBondContact O-N 2.81Å; E293-E296 PolarHBondContact O-N 3.36Å; E296-R299 PolarHBondContact O-N 2.77Å; E296-R299 IonicContact OE2-CZ 3Å; E296-R299 IonicContact OE2-NH1 2.71Å; E296-R299 PolarHBondContact OE2-NH1 2.99Å; E296-R300 WeakPolarHBondContact O-CB 3.23Å; E296-R300 VanDerWaalsContact O-CG 3.23Å; E296-R300 WeakPolarHBondContact O-CG 3.43Å; E296-R300 PolarHBondContact O-N 2.71Å; E296-R300 IonicContact OE1-NE 3.09Å; E296-R300 IonicContact OE1-NH2 2.66Å
297V64.3Low54.4Low73 Ų73108.5 Ų108.544%0.44252%0.524SS..Hα-helixtrans-61.5-47.2170.6168.90000110.8E293 E294 R299 R300 Q301E293-V297 WeakPolarHBondContact O-CB 3.19Å; E293-V297 WeakPolarHBondContact O-CG2 3.32Å; E293-V297 PolarHBondContact O-N 2.86Å; E294-V297 PolarHBondContact O-N 2.87Å; V297-R299 VanDerWaalsContact C-N 3.32Å; V297-R299 PolarHBondContact O-N 3.23Å; V297-R300 PolarHBondContact O-N 3.48Å; V297-Q301 WeakPolarHBondContact O-CB 3.42Å; V297-Q301 WeakPolarHBondContact O-CG 3.32Å; V297-Q301 PolarHBondContact O-N 3.09Å
298R58.6Low53.8Low167 Ų167112.6 Ų112.663%0.6355%0.553SS**Hα-helixtrans-65-35.7177.9-152-177.3-60.3-1612.8111.9E294 R295 S302E294-R298 WeakPolarHBondContact O-CB 3.19Å; E294-R298 PolarHBondContact O-N 2.79Å; R295-R298 PolarHBondContact O-N 3.4Å; R298-S302 WeakPolarHBondContact O-CB 3.5Å; R298-S302 PolarHBondContact O-N 2.84Å; R298-S302 PolarHBondContact O-OG 3.24Å
299R57.8Low53.7Low138 Ų138118.9 Ų118.952%0.52158%0.578SS.*Hα-helixtrans-67.1-42.1173.8-169.4-174.5-71.4157.5-9.2111.1R295 E296 V297 S302 V303R295-R299 WeakPolarHBondContact O-CB 3.39Å; R295-R299 PolarHBondContact O-N 3.43Å; E296-R299 PolarHBondContact O-N 2.77Å; E296-R299 IonicContact OE2-CZ 3Å; E296-R299 IonicContact OE2-NH1 2.71Å; E296-R299 PolarHBondContact OE2-NH1 2.99Å; V297-R299 VanDerWaalsContact C-N 3.32Å; V297-R299 PolarHBondContact O-N 3.23Å; R299-S302 VanDerWaalsContact CA-OG 3.32Å; R299-S302 WeakPolarHBondContact CA-OG 3.23Å; R299-S302 PolarHBondContact O-N 3.36Å; R299-S302 PolarHBondContact O-OG 3.29Å; R299-V303 VanDerWaalsContact O-CG2 3.23Å; R299-V303 WeakPolarHBondContact O-CG2 3.47Å; R299-V303 PolarHBondContact O-N 2.92Å
300R60.2Low53.5Low155 Ų155117.7 Ų117.759%0.58558%0.581SS**Hα-helixtrans-64.6-44.9174.4-72.8172.1-174.1-170.43.3111.9E296 V297 S302 V303 E304E296-R300 WeakPolarHBondContact O-CB 3.23Å; E296-R300 VanDerWaalsContact O-CG 3.23Å; E296-R300 WeakPolarHBondContact O-CG 3.43Å; E296-R300 PolarHBondContact O-N 2.71Å; E296-R300 IonicContact OE1-NE 3.09Å; E296-R300 IonicContact OE1-NH2 2.66Å; V297-R300 PolarHBondContact O-N 3.48Å; R300-S302 PolarHBondContact O-N 3.42Å; R300-V303 PolarHBondContact O-N 3.46Å; R300-E304 WeakPolarHBondContact O-CG 3.42Å; R300-E304 PolarHBondContact O-N 2.97Å
301Q58Low53.3Low108 Ų108121.2 Ų121.251%0.50560%0.596SS.*Hα-helixtrans-63.5-38.7176.5-76179.9-18.300113V297 E304 L305V297-Q301 WeakPolarHBondContact O-CB 3.42Å; V297-Q301 WeakPolarHBondContact O-CG 3.32Å; V297-Q301 PolarHBondContact O-N 3.09Å; Q301-E304 PolarHBondContact O-N 2.87Å; Q301-L305 PolarHBondContact O-N 3.3Å
302S47.3Very low53.1Low63 Ų63124.3 Ų124.344%0.44162%0.619SS.*Hα-helixtrans-70.5-32175.844.10000112.8R298 R299 R300 H306R298-S302 WeakPolarHBondContact O-CB 3.5Å; R298-S302 PolarHBondContact O-N 2.84Å; R298-S302 PolarHBondContact O-OG 3.24Å; R299-S302 VanDerWaalsContact CA-OG 3.32Å; R299-S302 WeakPolarHBondContact CA-OG 3.23Å; R299-S302 PolarHBondContact O-N 3.36Å; R299-S302 PolarHBondContact O-OG 3.29Å; R300-S302 PolarHBondContact O-N 3.42Å; S302-H306 PolarHBondContact O-N 3.03Å
303V56.8Low53.1Low98 Ų98129.2 Ų129.259%0.59464%0.637SS**Hα-helixtrans-67.5-40.1170.1170.80000111.4R299 R300 H306 S307R299-V303 VanDerWaalsContact O-CG2 3.23Å; R299-V303 WeakPolarHBondContact O-CG2 3.47Å; R299-V303 PolarHBondContact O-N 2.92Å; R300-V303 PolarHBondContact O-N 3.46Å; V303-H306 PolarHBondContact O-N 3.35Å; V303-S307 PolarHBondContact O-N 3.01Å; V303-S307 VanDerWaalsContact O-N 3.09Å
304E55.2Low52.7Low146 Ų146125.8 Ų125.868%0.68264%0.641SS**Hα-helixtrans-65.7-40.2176.8-76.5177.1173.900112.8R300 Q301 H306 S307R300-E304 WeakPolarHBondContact O-CG 3.42Å; R300-E304 PolarHBondContact O-N 2.97Å; Q301-E304 PolarHBondContact O-N 2.87Å; E304-H306 VanDerWaalsContact C-N 3.26Å; E304-H306 PolarHBondContact O-N 2.88Å; E304-S307 PolarHBondContact O-N 3.3Å
305L49.4Very low52.2Low149 Ų149126.9 Ų126.978%0.7866%0.656SS**Hα-helixtrans-67.7-23.5175.6-111.6116.2000113.7Q301Q301-L305 PolarHBondContact O-N 3.3Å
306H47.4Very low51.8Low164 Ų164131.9 Ų131.976%0.75968%0.68SS**THydrogen-bonded Turntrans-98.80.4178-79.530.5000113.4S302 V303 E304 P308S302-H306 PolarHBondContact O-N 3.03Å; V303-H306 PolarHBondContact O-N 3.35Å; E304-H306 VanDerWaalsContact C-N 3.26Å; E304-H306 PolarHBondContact O-N 2.88Å; H306-P308 WeakPolarHBondContact O-CD 3.35Å
307S44.5Very low51.2Low80 Ų80137 Ų13756%0.55973%0.734SS**SBendtrans-70.9118.9170-154.80000107.6V303 E304 Q309V303-S307 PolarHBondContact O-N 3.01Å; V303-S307 VanDerWaalsContact O-N 3.09Å; E304-S307 PolarHBondContact O-N 3.3Å; S307-Q309 PolarHBondContact O-N 3.37Å
308P45.3Very low50.6Low118 Ų118140.2 Ų140.277%0.76675%0.748SS**  trans-59.6109.517722.8-30.5000107.6H306 S310H306-P308 WeakPolarHBondContact O-CD 3.35Å; P308-S310 PolarHBondContact O-N 2.92Å
309Q52.5Low50.1Low185 Ų185138.8 Ų138.886%0.86476%0.755SS**  trans-50.1112.7169.2-74.1179.6-17.500106.7S307 L311S307-Q309 PolarHBondContact O-N 3.37Å; Q309-L311 PolarHBondContact O-N 2.87Å
310S48.1Very low49.7Very low114 Ų114138.8 Ų138.880%0.79777%0.768SS**  trans-60.310417554.40000107.2P308P308-S310 PolarHBondContact O-N 2.92Å
311L46.7Very low49.1Very low158 Ų158137.9 Ų137.983%0.82778%0.778SS**  trans-48.8133.2175.1-78.6160.8000108.9Q309 R313Q309-L311 PolarHBondContact O-N 2.87Å; L311-R313 PolarHBondContact O-N 2.97Å; L311-R313 VanDerWaalsContact O-N 3.11Å
312P47.2Very low48.5Very low118 Ų118139.8 Ų139.877%0.76680%0.796SS**  trans-59.2122.5177.621.6-28.8000108.6G314P312-G314 PolarHBondContact O-N 3.11Å
313R50Low48.6Very low244 Ų244144.9 Ų144.992%0.92182%0.819SS**  trans-58.1109.9172.9-77-177.9-178.8177.50.9107.4L311 T315L311-R313 PolarHBondContact O-N 2.97Å; L311-R313 VanDerWaalsContact O-N 3.11Å; R313-T315 PolarHBondContact O-N 3.2Å
314G44Very low48Very low73 Ų73148.2 Ų148.275%0.75384%0.835SS**  trans-52.7115.6173.200000109.8P312 K316P312-G314 PolarHBondContact O-N 3.11Å; G314-K316 PolarHBondContact O-N 3.07Å
315T48.7Very low47.5Very low140 Ų140148.4 Ų148.486%0.85985%0.847SS**  trans-62.7113165.933.60000107.9R313 A317R313-T315 PolarHBondContact O-N 3.2Å; T315-A317 PolarHBondContact O-N 3.47Å
316K47.3Very low47.3Very low212 Ų212148.3 Ų148.392%0.92285%0.853SS**  trans-66.7124.2164.1-69.8-176.6176.4-1770108.3G314G314-K316 PolarHBondContact O-N 3.07Å
317A46.1Very low47.3Very low174 Ų174146.9 Ų146.9100%1.43886%0.861SS**  trans-140.50151.300000106.9T315T315-A317 PolarHBondContact O-N 3.47Å

Retrieved 317 of 317 residues in 108.3 ms (Link to these results)

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