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Isoform C of Reticulon-4 AlphaSync

Regulates cardiomyocyte apoptosis upon hypoxic conditions1. With isoform B, inhibits BACE1 activity and amyloid precursor protein processing (By similarity).

AlphaFold DB , UniProt , Accession Q99P72-1 (canonical: Q99P72), Species MOUSE (Mus musculus, Mouse), Gene Rtn4, Length 199 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
1M65.6Low76.6Confident201 Ų201131.9 Ų131.999%0.9960%0.604SS**  0-35.60-170.2150.360.500111.6D3 Q4 K5M1-D3 PolarHBondContact O-N 2.98Å; M1-Q4 PolarHBondContact O-N 3.45Å; M1-K5 PolarHBondContact O-N 3Å
2D76.6Confident76.6Confident129 Ų129128.3 Ų128.369%0.6960%0.598SS**Hα-helixtrans-63.5-38.2-178.4-56.7-53.8000114.3Q4 K5 K6D2-Q4 VanDerWaalsContact C-N 3.33Å; D2-Q4 PolarHBondContact O-N 2.82Å; D2-K5 PolarHBondContact O-N 3.46Å; D2-K6 WeakPolarHBondContact O-CB 3.48Å; D2-K6 PolarHBondContact O-N 3.44Å
3D77Confident76.7Confident137 Ų137123.1 Ų123.173%0.73358%0.58SS**Hα-helixtrans-62.2-39.3176.6-66.4-42.5000112.9M1 R7M1-D3 PolarHBondContact O-N 2.98Å; D3-R7 WeakPolarHBondContact O-CB 3.25Å; D3-R7 PolarHBondContact O-N 2.95Å
4Q72.3Confident76.9Confident107 Ų107118.1 Ų118.150%0.556%0.559SS.*Hα-helixtrans-63.4-46.5174.5-88-120.3-26.300111M1 D2 K6 R7 W8M1-Q4 PolarHBondContact O-N 3.45Å; D2-Q4 VanDerWaalsContact C-N 3.33Å; D2-Q4 PolarHBondContact O-N 2.82Å; Q4-K6 VanDerWaalsContact C-N 3.34Å; Q4-K6 PolarHBondContact O-N 3.21Å; Q4-R7 PolarHBondContact O-N 3.47Å; Q4-W8 VanDerWaalsContact O-CD1 3.24Å; Q4-W8 PolarHBondContact O-N 3.03Å; Q4-W8 VanDerWaalsContact O-N 3.09Å
5K75Confident76.9Confident137 Ų137113.1 Ų113.160%0.59654%0.537SS*.Hα-helixtrans-63.4-40.5180-167.1175.8-174177.10111.7M1 D2 K9M1-K5 PolarHBondContact O-N 3Å; D2-K5 PolarHBondContact O-N 3.46Å; K5-K9 WeakPolarHBondContact O-CG 3.37Å; K5-K9 PolarHBondContact O-N 3.34Å
6K77.6Confident76.9Confident135 Ų135108 Ų10859%0.58751%0.514SS*.Hα-helixtrans-61.4-49.6175.1-169.7176.4177.7-176.50110.8D2 Q4 W8 K9 D10D2-K6 WeakPolarHBondContact O-CB 3.48Å; D2-K6 PolarHBondContact O-N 3.44Å; Q4-K6 VanDerWaalsContact C-N 3.34Å; Q4-K6 PolarHBondContact O-N 3.21Å; K6-W8 VanDerWaalsContact C-N 3.34Å; K6-W8 PolarHBondContact O-N 3.28Å; K6-K9 WeakPolarHBondContact O-CB 3.49Å; K6-K9 PolarHBondContact O-N 3.49Å; K6-K9 VanDerWaalsContact O-N 3.08Å; K6-D10 VanDerWaalsContact O-CG 3.24Å; K6-D10 PolarHBondContact O-N 3.33Å
7R80.8Confident76.7Confident126 Ų126106.4 Ų106.448%0.47550%0.502SS..Hα-helixtrans-59.2-38179.4-172.117467.2-1792.8114D3 Q4 K11D3-R7 WeakPolarHBondContact O-CB 3.25Å; D3-R7 PolarHBondContact O-N 2.95Å; Q4-R7 PolarHBondContact O-N 3.47Å; R7-K11 VanDerWaalsContact O-CG 3.32Å; R7-K11 WeakPolarHBondContact O-CG 3.27Å; R7-K11 PolarHBondContact O-N 2.84Å; R7-K11 VanDerWaalsContact O-N 3.1Å
8W78.1Confident76.5Confident157 Ų157104.8 Ų104.860%0.59549%0.491SS*.Hα-helixtrans-69.7-39.1175.7-82.199.4000112.3Q4 K6 K11 V12Q4-W8 VanDerWaalsContact O-CD1 3.24Å; Q4-W8 PolarHBondContact O-N 3.03Å; Q4-W8 VanDerWaalsContact O-N 3.09Å; K6-W8 VanDerWaalsContact C-N 3.34Å; K6-W8 PolarHBondContact O-N 3.28Å; W8-K11 PolarHBondContact O-N 3.13Å; W8-V12 WeakPolarHBondContact O-CG2 3.02Å; W8-V12 PolarHBondContact O-N 2.78Å
9K80.5Confident76.5Confident130 Ų130108.2 Ų108.257%0.56550%0.499SS*.Hα-helixtrans-61.4-46.5173.8-72179.7174.2-168.80111K5 K6 K11 V12 V13K5-K9 WeakPolarHBondContact O-CG 3.37Å; K5-K9 PolarHBondContact O-N 3.34Å; K6-K9 WeakPolarHBondContact O-CB 3.49Å; K6-K9 PolarHBondContact O-N 3.49Å; K6-K9 VanDerWaalsContact O-N 3.08Å; K9-K11 VanDerWaalsContact C-N 3.3Å; K9-K11 PolarHBondContact O-N 3.23Å; K9-V12 PolarHBondContact O-N 2.78Å; K9-V12 VanDerWaalsContact O-N 3.16Å; K9-V13 WeakPolarHBondContact O-CB 3.24Å; K9-V13 VanDerWaalsContact O-CG2 3.25Å; K9-V13 WeakPolarHBondContact O-CG2 3.35Å; K9-V13 PolarHBondContact O-N 2.9Å
10D81Confident76.5Confident78 Ų78106.6 Ų106.642%0.41749%0.494SS..Hα-helixtrans-58.9-43.7178.5-60.4-26.6000110.7K6 V12 V13 D14K6-D10 VanDerWaalsContact O-CG 3.24Å; K6-D10 PolarHBondContact O-N 3.33Å; D10-V12 PolarHBondContact O-N 3.34Å; D10-V13 PolarHBondContact O-N 2.96Å; D10-D14 WeakPolarHBondContact O-CB 3.44Å; D10-D14 PolarHBondContact O-N 3.42Å
11K78.4Confident76.5Confident114 Ų114107.2 Ų107.250%0.49650%0.5SS..Hα-helixtrans-61.6-42.3174.8-74.5177.9179.6-171.80113.8R7 W8 K9 V13 L15R7-K11 VanDerWaalsContact O-CG 3.32Å; R7-K11 WeakPolarHBondContact O-CG 3.27Å; R7-K11 PolarHBondContact O-N 2.84Å; R7-K11 VanDerWaalsContact O-N 3.1Å; W8-K11 PolarHBondContact O-N 3.13Å; K9-K11 VanDerWaalsContact C-N 3.3Å; K9-K11 PolarHBondContact O-N 3.23Å; K11-V13 VanDerWaalsContact C-N 3.34Å; K11-L15 WeakPolarHBondContact O-CB 3.39Å; K11-L15 PolarHBondContact O-N 3.05Å
12V76.9Confident77.2Confident88 Ų88106.4 Ų106.453%0.53349%0.49SS..Hα-helixtrans-66.6-41.4177.7171.80000110W8 K9 D10 L15 L16W8-V12 WeakPolarHBondContact O-CG2 3.02Å; W8-V12 PolarHBondContact O-N 2.78Å; K9-V12 PolarHBondContact O-N 2.78Å; K9-V12 VanDerWaalsContact O-N 3.16Å; D10-V12 PolarHBondContact O-N 3.34Å; V12-L15 WeakPolarHBondContact O-CB 3.42Å; V12-L15 PolarHBondContact O-N 3.18Å; V12-L16 VanDerWaalsContact O-CB 3.26Å; V12-L16 WeakPolarHBondContact O-CB 3.46Å; V12-L16 PolarHBondContact O-N 3.39Å
13V77.7Confident77.4Confident61 Ų61106.4 Ų106.437%0.3748%0.484SS..Hα-helixtrans-63.6-46.5175.6170.60000110.4K9 D10 K11 L15 L16 Y17K9-V13 WeakPolarHBondContact O-CB 3.24Å; K9-V13 VanDerWaalsContact O-CG2 3.25Å; K9-V13 WeakPolarHBondContact O-CG2 3.35Å; K9-V13 PolarHBondContact O-N 2.9Å; D10-V13 PolarHBondContact O-N 2.96Å; K11-V13 VanDerWaalsContact C-N 3.34Å; V13-L15 VanDerWaalsContact C-N 3.25Å; V13-L15 PolarHBondContact O-N 3.35Å; V13-L16 WeakPolarHBondContact O-CB 3.19Å; V13-L16 PolarHBondContact O-N 2.94Å; V13-Y17 HydrophobicContact CG1-CD2 3.57Å; V13-Y17 HydrophobicContact CG1-CE2 3.75Å; V13-Y17 VanDerWaalsContact O-CD2 3.32Å; V13-Y17 WeakPolarHBondContact O-CD2 3.49Å; V13-Y17 PolarHBondContact O-N 3.44Å
14D79.3Confident77.7Confident53 Ų5399.9 Ų99.928%0.28345%0.449SS..Hα-helixtrans-60.9-36177.8-72.1-28.4000112D10 W18 R19D10-D14 WeakPolarHBondContact O-CB 3.44Å; D10-D14 PolarHBondContact O-N 3.42Å; D14-W18 PolarHBondContact O-N 3.12Å; D14-R19 HydrophobicContact CB-CB 4.38Å; D14-R19 PolarHBondContact O-N 3Å; D14-R19 WeakPolarHBondContact OD1-CD 3.44Å; D14-R19 IonicContact OD1-CZ 2.92Å; D14-R19 IonicContact OD1-NE 2.99Å; D14-R19 IonicContact OD1-NH1 3.01Å; D14-R19 PolarHBondContact OD1-NH1 3.2Å
15L77.2Confident78.3Confident43 Ų4396 Ų9623%0.22544%0.438CS..Hα-helixtrans-68-43.4172.2-160.780.4000111.1K11 V12 V13 W18 K23 T24 V27 F156K11-L15 WeakPolarHBondContact O-CB 3.39Å; K11-L15 PolarHBondContact O-N 3.05Å; V12-L15 WeakPolarHBondContact O-CB 3.42Å; V12-L15 PolarHBondContact O-N 3.18Å; V13-L15 VanDerWaalsContact C-N 3.25Å; V13-L15 PolarHBondContact O-N 3.35Å; L15-W18 PolarHBondContact O-N 3.49Å; L15-K23 HydrophobicContact CD1-CB 4.1Å; L15-T24 WeakPolarHBondContact CA-OG1 3.31Å; L15-T24 HydrophobicContact CG-CG2 4.43Å; L15-T24 WeakPolarHBondContact O-CG2 3.28Å; L15-T24 PolarHBondContact O-OG1 2.78Å; L15-T24 VanDerWaalsContact O-OG1 3.09Å; L15-V27 HydrophobicContact CD1-CG2 4.35Å; L15-V27 HydrophobicContact CD2-CB 4.23Å; L15-V27 HydrophobicContact CD2-CG1 4.03Å; L15-V27 HydrophobicContact CD2-CG2 4.34Å; L15-F156 HydrophobicContact CD2-CE1 4.28Å; L15-F156 HydrophobicContact CD2-CZ 4.25Å; L15-F156 HydrophobicContact CG-CE1 4.19Å
16L76.2Confident78.9Confident32 Ų3294.3 Ų94.317%0.16844%0.439CS..Hα-helixtrans-67.7-37.8-176.8-16271.7000112.9V12 V13 W18 L155 F156 P159V12-L16 VanDerWaalsContact O-CB 3.26Å; V12-L16 WeakPolarHBondContact O-CB 3.46Å; V12-L16 PolarHBondContact O-N 3.39Å; V13-L16 WeakPolarHBondContact O-CB 3.19Å; V13-L16 PolarHBondContact O-N 2.94Å; L16-W18 PolarHBondContact O-N 3.1Å; L16-L155 HydrophobicContact CD1-CD1 3.78Å; L16-L155 HydrophobicContact CD1-CG 3.63Å; L16-L155 WeakPolarHBondContact CD1-O 3.33Å; L16-F156 HydrophobicContact CD1-CD1 4.48Å; L16-P159 HydrophobicContact CD2-CB 4.4Å; L16-P159 HydrophobicContact CD2-CG 3.69Å; L16-P159 HydrophobicContact CG-CB 4.32Å; L16-P159 HydrophobicContact CG-CG 3.77Å
17Y73Confident79.4Confident81 Ų8190.9 Ų90.932%0.31843%0.43SS..THydrogen-bonded Turntrans-84.410176.4-79.1-91.1000113.3V13 R19 P159V13-Y17 HydrophobicContact CG1-CD2 3.57Å; V13-Y17 HydrophobicContact CG1-CE2 3.75Å; V13-Y17 VanDerWaalsContact O-CD2 3.32Å; V13-Y17 WeakPolarHBondContact O-CD2 3.49Å; V13-Y17 PolarHBondContact O-N 3.44Å; Y17-R19 PolarHBondContact O-N 3.14Å; Y17-R19 VanDerWaalsContact O-N 3.1Å; Y17-P159 HydrophobicContact CD1-CB 4.36Å; Y17-P159 HydrophobicContact CE1-CB 4.17Å; Y17-P159 HydrophobicContact CE2-CB 4.4Å
18W73.2Confident79.7Confident77 Ų7786.5 Ų86.529%0.29241%0.414SS..THydrogen-bonded Turntrans5724.8179.4-73.773.6000115D14 L15 L16 D20 I21 T24 F28 F156 V160D14-W18 PolarHBondContact O-N 3.12Å; L15-W18 PolarHBondContact O-N 3.49Å; L16-W18 PolarHBondContact O-N 3.1Å; W18-D20 VanDerWaalsContact C-N 3.28Å; W18-D20 PolarHBondContact O-N 2.84Å; W18-I21 HydrophobicContact CE3-CG1 4.46Å; W18-I21 WeakPolarHBondContact O-CG1 3.48Å; W18-I21 PolarHBondContact O-N 2.93Å; W18-T24 HydrophobicContact CB-CG2 4.44Å; W18-T24 HydrophobicContact CD2-CG2 3.49Å; W18-T24 VanDerWaalsContact CD2-CG2 3.49Å; W18-T24 HydrophobicContact CE3-CG2 3.9Å; W18-T24 HydrophobicContact CG-CG2 3.73Å; W18-T24 HydrophobicContact CH2-CG2 4.48Å; W18-T24 HydrophobicContact CZ2-CG2 4.14Å; W18-T24 HydrophobicContact CZ3-CG2 4.37Å; W18-F28 HydrophobicContact CH2-CD1 4.18Å; W18-F28 AromaticContact CZ2-CD1 3.95Å; W18-F28 HydrophobicContact CZ2-CD1 3.95Å; W18-F28 HydrophobicContact CZ2-CE1 4.38Å; W18-F28 HydrophobicContact CZ2-CG 4.31Å; W18-F156 PolarHBondContact NE1-O 2.87Å; W18-V160 HydrophobicContact CB-CG2 4.33Å; W18-V160 HydrophobicContact CG-CG2 4.04Å
19R76.9Confident80.1Confident170 Ų17080.6 Ų80.664%0.64240%0.402SS*.SBendtrans-63.4-38.1-179-70.3178.8169.9-169.4-4.7111.8D14 Y17D14-R19 HydrophobicContact CB-CB 4.38Å; D14-R19 PolarHBondContact O-N 3Å; D14-R19 WeakPolarHBondContact OD1-CD 3.44Å; D14-R19 IonicContact OD1-CZ 2.92Å; D14-R19 IonicContact OD1-NE 2.99Å; D14-R19 IonicContact OD1-NH1 3.01Å; D14-R19 PolarHBondContact OD1-NH1 3.2Å; Y17-R19 PolarHBondContact O-N 3.14Å; Y17-R19 VanDerWaalsContact O-N 3.1Å
20D76.4Confident80.5Confident76 Ų7677.2 Ų77.241%0.40640%0.398SS..SBendtrans-100.582.4168.1-88.3-23.6000109.9W18 K22 K23 T24W18-D20 VanDerWaalsContact C-N 3.28Å; W18-D20 PolarHBondContact O-N 2.84Å; D20-K22 PolarHBondContact O-N 2.89Å; D20-K22 VanDerWaalsContact O-N 3.13Å; D20-K23 HydrophobicContact CB-CB 4.12Å; D20-K23 HydrophobicContact CB-CD 4.33Å; D20-K23 HydrophobicContact CB-CG 4.33Å; D20-K23 PolarHBondContact O-N 3.48Å; D20-K23 VanDerWaalsContact O-N 3.14Å; D20-K23 IonicContact OD2-NZ 2.78Å; D20-K23 PolarHBondContact OD2-NZ 2.85Å; D20-T24 VanDerWaalsContact O-CB 3.28Å; D20-T24 WeakPolarHBondContact O-CB 3.24Å; D20-T24 PolarHBondContact O-N 2.81Å; D20-T24 PolarHBondContact O-OG1 2.84Å
21I76.5Confident80.8Confident119 Ų11975.6 Ų75.661%0.6139%0.393SS*.Hα-helixtrans-50.7-40.5-179-70.2156.9000112.2W18 G25W18-I21 HydrophobicContact CE3-CG1 4.46Å; W18-I21 WeakPolarHBondContact O-CG1 3.48Å; W18-I21 PolarHBondContact O-N 2.93Å; I21-G25 WeakPolarHBondContact O-CA 3.38Å; I21-G25 PolarHBondContact O-N 3.34Å
22K80.3Confident81.3Confident184 Ų18471.6 Ų71.680%0.838%0.377SS*.Hα-helixtrans-64.6-48-179-62-176.4-174.4-179.10112.1D20 V26D20-K22 PolarHBondContact O-N 2.89Å; D20-K22 VanDerWaalsContact O-N 3.13Å; K22-V26 WeakPolarHBondContact O-CB 3.31Å; K22-V26 WeakPolarHBondContact O-CG2 3.38Å; K22-V26 PolarHBondContact O-N 3.16Å
23K80.4Confident81.7Confident129 Ų12974.3 Ų74.356%0.56138%0.382SS*.Hα-helixtrans-73.6-44.5-178.7-63.1-177.6-167.1142.30111L15 D20 V26 V27L15-K23 HydrophobicContact CD1-CB 4.1Å; D20-K23 HydrophobicContact CB-CB 4.12Å; D20-K23 HydrophobicContact CB-CD 4.33Å; D20-K23 HydrophobicContact CB-CG 4.33Å; D20-K23 PolarHBondContact O-N 3.48Å; D20-K23 VanDerWaalsContact O-N 3.14Å; D20-K23 IonicContact OD2-NZ 2.78Å; D20-K23 PolarHBondContact OD2-NZ 2.85Å; K23-V26 PolarHBondContact O-N 2.92Å; K23-V27 WeakPolarHBondContact O-CG2 3.14Å; K23-V27 PolarHBondContact O-N 3.37Å
24T83.5Confident82Confident0 Ų075 Ų750%038%0.383CS..Hα-helixtrans-60.6-49178.7-53.70000111.1L15 W18 D20 V26 V27 F28 F156L15-T24 WeakPolarHBondContact CA-OG1 3.31Å; L15-T24 HydrophobicContact CG-CG2 4.43Å; L15-T24 WeakPolarHBondContact O-CG2 3.28Å; L15-T24 PolarHBondContact O-OG1 2.78Å; L15-T24 VanDerWaalsContact O-OG1 3.09Å; W18-T24 HydrophobicContact CB-CG2 4.44Å; W18-T24 HydrophobicContact CD2-CG2 3.49Å; W18-T24 VanDerWaalsContact CD2-CG2 3.49Å; W18-T24 HydrophobicContact CE3-CG2 3.9Å; W18-T24 HydrophobicContact CG-CG2 3.73Å; W18-T24 HydrophobicContact CH2-CG2 4.48Å; W18-T24 HydrophobicContact CZ2-CG2 4.14Å; W18-T24 HydrophobicContact CZ3-CG2 4.37Å; D20-T24 VanDerWaalsContact O-CB 3.28Å; D20-T24 WeakPolarHBondContact O-CB 3.24Å; D20-T24 PolarHBondContact O-N 2.81Å; D20-T24 PolarHBondContact O-OG1 2.84Å; T24-V26 VanDerWaalsContact C-N 3.34Å; T24-V26 PolarHBondContact O-N 3.2Å; T24-V27 PolarHBondContact O-N 2.83Å; T24-F28 WeakPolarHBondContact O-CB 3.32Å; T24-F28 PolarHBondContact O-N 3.42Å; T24-F156 HydrophobicContact CG2-CD1 3.79Å; T24-F156 HydrophobicContact CG2-CE1 3.78Å
25G85.3Confident82.2Confident26 Ų2673.7 Ų73.727%0.26838%0.376SS..Hα-helixtrans-62.1-38.9178.500000112.8I21 G29I21-G25 WeakPolarHBondContact O-CA 3.38Å; I21-G25 PolarHBondContact O-N 3.34Å; G25-G29 WeakPolarHBondContact O-CA 3.4Å; G25-G29 PolarHBondContact O-N 2.9Å
26V87.7Confident82.4Confident102 Ų10275.8 Ų75.862%0.61839%0.387SS*.Hα-helixtrans-67.2-46.6175.2170.50000111.4K22 K23 T24 A30K22-V26 WeakPolarHBondContact O-CB 3.31Å; K22-V26 WeakPolarHBondContact O-CG2 3.38Å; K22-V26 PolarHBondContact O-N 3.16Å; K23-V26 PolarHBondContact O-N 2.92Å; T24-V26 VanDerWaalsContact C-N 3.34Å; T24-V26 PolarHBondContact O-N 3.2Å; V26-A30 WeakPolarHBondContact O-CB 3.23Å; V26-A30 PolarHBondContact O-N 3.4Å
27V87.2Confident82.6Confident63 Ų6375.5 Ų75.538%0.38239%0.387SS..Hα-helixtrans-65.2-50.4179.51750000110.6L15 K23 T24 G29 A30 S31L15-V27 HydrophobicContact CD1-CG2 4.35Å; L15-V27 HydrophobicContact CD2-CB 4.23Å; L15-V27 HydrophobicContact CD2-CG1 4.03Å; L15-V27 HydrophobicContact CD2-CG2 4.34Å; K23-V27 WeakPolarHBondContact O-CG2 3.14Å; K23-V27 PolarHBondContact O-N 3.37Å; T24-V27 PolarHBondContact O-N 2.83Å; V27-G29 PolarHBondContact O-N 3.48Å; V27-A30 PolarHBondContact O-N 3.5Å; V27-S31 VanDerWaalsContact O-CB 3.28Å; V27-S31 WeakPolarHBondContact O-CB 3.11Å; V27-S31 PolarHBondContact O-N 3.33Å; V27-S31 PolarHBondContact O-OG 2.95Å
28F86.9Confident82.8Confident33 Ų3373 Ų7315%0.14538%0.379CS..Hα-helixtrans-59.4-46.8177.5179.9-113.7000111.7W18 T24 S31 L32 L152 I153 F156W18-F28 HydrophobicContact CH2-CD1 4.18Å; W18-F28 AromaticContact CZ2-CD1 3.95Å; W18-F28 HydrophobicContact CZ2-CD1 3.95Å; W18-F28 HydrophobicContact CZ2-CE1 4.38Å; W18-F28 HydrophobicContact CZ2-CG 4.31Å; T24-F28 WeakPolarHBondContact O-CB 3.32Å; T24-F28 PolarHBondContact O-N 3.42Å; F28-S31 PolarHBondContact O-N 2.9Å; F28-L32 HydrophobicContact CD1-CD1 3.78Å; F28-L32 HydrophobicContact CD2-CD1 4.23Å; F28-L32 HydrophobicContact CD2-CG 4.3Å; F28-L32 HydrophobicContact CE1-CD1 3.26Å; F28-L32 HydrophobicContact CE1-CG 4.3Å; F28-L32 HydrophobicContact CE2-CD1 3.77Å; F28-L32 HydrophobicContact CE2-CD2 4.48Å; F28-L32 HydrophobicContact CE2-CG 4.01Å; F28-L32 HydrophobicContact CG-CD1 4.26Å; F28-L32 HydrophobicContact CZ-CD1 3.28Å; F28-L32 HydrophobicContact CZ-CG 4.04Å; F28-L32 VanDerWaalsContact O-CB 3.27Å; F28-L32 WeakPolarHBondContact O-CB 3.32Å; F28-L32 WeakPolarHBondContact O-CG 3.43Å; F28-L32 PolarHBondContact O-N 2.79Å; F28-L152 HydrophobicContact CD2-CG 4.25Å; F28-L152 HydrophobicContact CE2-CG 4.24Å; F28-I153 HydrophobicContact CE2-CG1 4.45Å; F28-I153 HydrophobicContact CZ-CG1 4.2Å; F28-F156 HydrophobicContact CB-CD1 4.48Å; F28-F156 HydrophobicContact CD2-CB 3.86Å; F28-F156 HydrophobicContact CD2-CD1 4.36Å; F28-F156 AromaticContact CD2-CD2 3.45Å; F28-F156 HydrophobicContact CD2-CD2 3.45Å; F28-F156 VanDerWaalsContact CD2-CD2 3.45Å; F28-F156 HydrophobicContact CD2-CE2 4.05Å; F28-F156 AromaticContact CD2-CG 3.62Å; F28-F156 HydrophobicContact CD2-CG 3.62Å; F28-F156 HydrophobicContact CE2-CB 3.87Å; F28-F156 AromaticContact CE2-CD2 3.99Å; F28-F156 HydrophobicContact CE2-CD2 3.99Å; F28-F156 HydrophobicContact CE2-CG 4.11Å; F28-F156 HydrophobicContact CG-CD2 4.42Å; F28-F156 HydrophobicContact CG-CG 4.33Å
29G88.6Confident82.8Confident33 Ų3371.5 Ų71.534%0.3438%0.379SS..Hα-helixtrans-64.4-43.9178.400000113G25 V27 L32 F33G25-G29 WeakPolarHBondContact O-CA 3.4Å; G25-G29 PolarHBondContact O-N 2.9Å; V27-G29 PolarHBondContact O-N 3.48Å; G29-L32 PolarHBondContact O-N 3.01Å; G29-F33 WeakPolarHBondContact O-CB 3.42Å; G29-F33 PolarHBondContact O-N 2.9Å
30A88.7Confident82.5Confident59 Ų5968.9 Ų68.949%0.48838%0.381SS..Hα-helixtrans-66.3-43.1176.600000111.8V26 V27 F33 L34V26-A30 WeakPolarHBondContact O-CB 3.23Å; V26-A30 PolarHBondContact O-N 3.4Å; V27-A30 PolarHBondContact O-N 3.5Å; A30-F33 PolarHBondContact O-N 3.3Å; A30-L34 WeakPolarHBondContact O-CB 3.48Å; A30-L34 PolarHBondContact O-N 3.02Å
31S87.3Confident82.2Confident44 Ų4470.7 Ų70.731%0.30839%0.386SS..Hα-helixtrans-64.8-42.9176-65.60000111.9V27 F28 L34 L35V27-S31 VanDerWaalsContact O-CB 3.28Å; V27-S31 WeakPolarHBondContact O-CB 3.11Å; V27-S31 PolarHBondContact O-N 3.33Å; V27-S31 PolarHBondContact O-OG 2.95Å; F28-S31 PolarHBondContact O-N 2.9Å; S31-L34 PolarHBondContact O-N 3.47Å; S31-L35 WeakPolarHBondContact O-CG 3.5Å; S31-L35 PolarHBondContact O-N 3.31Å
32L87Confident82Confident30 Ų3068.6 Ų68.616%0.15738%0.382CS..Hα-helixtrans-64.7-45.4174.1-82.1180000112.1F28 G29 L34 L35 L36 I149 L152 I153F28-L32 HydrophobicContact CD1-CD1 3.78Å; F28-L32 HydrophobicContact CD2-CD1 4.23Å; F28-L32 HydrophobicContact CD2-CG 4.3Å; F28-L32 HydrophobicContact CE1-CD1 3.26Å; F28-L32 HydrophobicContact CE1-CG 4.3Å; F28-L32 HydrophobicContact CE2-CD1 3.77Å; F28-L32 HydrophobicContact CE2-CD2 4.48Å; F28-L32 HydrophobicContact CE2-CG 4.01Å; F28-L32 HydrophobicContact CG-CD1 4.26Å; F28-L32 HydrophobicContact CZ-CD1 3.28Å; F28-L32 HydrophobicContact CZ-CG 4.04Å; F28-L32 VanDerWaalsContact O-CB 3.27Å; F28-L32 WeakPolarHBondContact O-CB 3.32Å; F28-L32 WeakPolarHBondContact O-CG 3.43Å; F28-L32 PolarHBondContact O-N 2.79Å; G29-L32 PolarHBondContact O-N 3.01Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 2.98Å; L32-L35 PolarHBondContact O-N 2.86Å; L32-L36 VanDerWaalsContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 VanDerWaalsContact O-CG 3.29Å; L32-L36 WeakPolarHBondContact O-CG 3.15Å; L32-L36 PolarHBondContact O-N 2.84Å; L32-I149 HydrophobicContact CD2-CG2 4.05Å; L32-L152 HydrophobicContact CD2-CD2 3.82Å; L32-L152 HydrophobicContact CG-CD2 3.85Å; L32-I153 HydrophobicContact CD2-CD1 4.37Å; L32-I153 HydrophobicContact CD2-CG1 3.94Å
33F86.5Confident81.3Confident145 Ų14564.4 Ų64.464%0.63637%0.367SS*.Hα-helixtrans-60-41.5177.9177.6-98.5000111.3G29 A30 S37G29-F33 WeakPolarHBondContact O-CB 3.42Å; G29-F33 PolarHBondContact O-N 2.9Å; A30-F33 PolarHBondContact O-N 3.3Å; F33-S37 VanDerWaalsContact O-CB 3.26Å; F33-S37 WeakPolarHBondContact O-CB 3.28Å; F33-S37 PolarHBondContact O-N 3.36Å; F33-S37 PolarHBondContact O-OG 3.32Å
34L84.1Confident80.8Confident76 Ų7663.5 Ų63.540%0.39837%0.372SS..Hα-helixtrans-61.4-52.4174.3-17965.4000110.8A30 S31 L32 L36 S37 L38 V46 I50A30-L34 WeakPolarHBondContact O-CB 3.48Å; A30-L34 PolarHBondContact O-N 3.02Å; S31-L34 PolarHBondContact O-N 3.47Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 2.98Å; L34-L36 PolarHBondContact O-N 3.03Å; L34-S37 WeakPolarHBondContact O-CB 3.32Å; L34-S37 PolarHBondContact O-N 3.35Å; L34-S37 VanDerWaalsContact O-N 3.17Å; L34-L38 HydrophobicContact CG-CD1 4.48Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.22Å; L34-L38 PolarHBondContact O-N 3.15Å; L34-V46 HydrophobicContact CD1-CG1 3.73Å; L34-I50 HydrophobicContact CD1-CD1 4.13Å
35L83.9Confident80.3Confident25 Ų2565.1 Ų65.113%0.13138%0.383CS..Hα-helixtrans-61.2-41.9179.7-70.5176000112.5S31 L32 L38 T39 L148 I149 L152S31-L35 WeakPolarHBondContact O-CG 3.5Å; S31-L35 PolarHBondContact O-N 3.31Å; L32-L35 PolarHBondContact O-N 2.86Å; L35-L38 HydrophobicContact CD2-CD1 4.39Å; L35-L38 CarbonylContact O-C 3.46Å; L35-L38 WeakPolarHBondContact O-CB 2.93Å; L35-L38 PolarHBondContact O-N 3.43Å; L35-T39 WeakPolarHBondContact O-CG2 3.49Å; L35-T39 PolarHBondContact O-N 3.09Å; L35-L148 HydrophobicContact CD1-CB 4.22Å; L35-L148 HydrophobicContact CD2-CB 3.95Å; L35-L148 HydrophobicContact CD2-CD1 4.25Å; L35-I149 HydrophobicContact CB-CD1 4.23Å; L35-I149 HydrophobicContact CB-CG1 3.59Å; L35-I149 HydrophobicContact CD1-CG1 4.02Å; L35-I149 HydrophobicContact CG-CG1 4.42Å; L35-L152 HydrophobicContact CD1-CB 4.15Å; L35-L152 HydrophobicContact CD1-CD2 3.72Å
36L81.1Confident79.7Confident88 Ų8864.5 Ų64.546%0.46138%0.375SS..Hα-helixtrans-64-41.4174.8-74.1170.2000111.3L32 L34 L38 T39 V40 I149L32-L36 VanDerWaalsContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 VanDerWaalsContact O-CG 3.29Å; L32-L36 WeakPolarHBondContact O-CG 3.15Å; L32-L36 PolarHBondContact O-N 2.84Å; L34-L36 PolarHBondContact O-N 3.03Å; L36-L38 VanDerWaalsContact C-N 3.26Å; L36-L38 PolarHBondContact O-N 3.25Å; L36-T39 WeakPolarHBondContact CA-OG1 3.32Å; L36-T39 PolarHBondContact O-N 2.7Å; L36-T39 PolarHBondContact O-OG1 3.09Å; L36-V40 PolarHBondContact O-N 3.36Å; L36-V40 VanDerWaalsContact O-N 3.1Å; L36-I149 HydrophobicContact CD2-CD1 3.85Å; L36-I149 HydrophobicContact CG-CD1 4.31Å
37S79Confident78.9Confident25 Ų2563.6 Ų63.618%0.17537%0.369CS..Hα-helixtrans-59.3-41173-61.40000110.6F33 L34 T39 V40 F41F33-S37 VanDerWaalsContact O-CB 3.26Å; F33-S37 WeakPolarHBondContact O-CB 3.28Å; F33-S37 PolarHBondContact O-N 3.36Å; F33-S37 PolarHBondContact O-OG 3.32Å; L34-S37 WeakPolarHBondContact O-CB 3.32Å; L34-S37 PolarHBondContact O-N 3.35Å; L34-S37 VanDerWaalsContact O-N 3.17Å; S37-T39 VanDerWaalsContact C-N 3.32Å; S37-T39 PolarHBondContact O-N 2.87Å; S37-V40 PolarHBondContact O-N 2.99Å; S37-F41 WeakPolarHBondContact O-CA 3.48Å; S37-F41 VanDerWaalsContact O-CB 3.23Å; S37-F41 WeakPolarHBondContact O-CB 3.28Å; S37-F41 PolarHBondContact O-N 3.04Å
38L78Confident78.4Confident28 Ų2862.8 Ų62.815%0.14737%0.369CS..Hα-helixtrans-67.6-28.8174.5-59.5171.3000112.9L34 L35 L36 F41 I43 V46 L145L34-L38 HydrophobicContact CG-CD1 4.48Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.22Å; L34-L38 PolarHBondContact O-N 3.15Å; L35-L38 HydrophobicContact CD2-CD1 4.39Å; L35-L38 CarbonylContact O-C 3.46Å; L35-L38 WeakPolarHBondContact O-CB 2.93Å; L35-L38 PolarHBondContact O-N 3.43Å; L36-L38 VanDerWaalsContact C-N 3.26Å; L36-L38 PolarHBondContact O-N 3.25Å; L38-F41 CarbonylContact C-O 3.59Å; L38-F41 VanDerWaalsContact CA-O 3.26Å; L38-F41 WeakPolarHBondContact CA-O 3.32Å; L38-I43 HydrophobicContact CB-CG1 4.35Å; L38-I43 HydrophobicContact CD2-CB 4.08Å; L38-I43 HydrophobicContact CD2-CG1 3.91Å; L38-I43 HydrophobicContact CD2-CG2 4.22Å; L38-V46 HydrophobicContact CD2-CB 3.56Å; L38-V46 HydrophobicContact CD2-CG1 3.8Å; L38-V46 HydrophobicContact CD2-CG2 3.7Å; L38-V46 HydrophobicContact CG-CG2 4.48Å; L38-L145 HydrophobicContact CB-CD1 3.86Å; L38-L145 HydrophobicContact CB-CD2 3.72Å; L38-L145 HydrophobicContact CB-CG 4.46Å; L38-L145 HydrophobicContact CD1-CD2 4.07Å; L38-L145 WeakPolarHBondContact O-CD1 3.3Å
39T72.9Confident78Confident46 Ų4668.5 Ų68.528%0.28239%0.391SS..Hα-helixtrans-71.5-33.2176.456.70000112.6L35 L36 S37 L145 I149L35-T39 WeakPolarHBondContact O-CG2 3.49Å; L35-T39 PolarHBondContact O-N 3.09Å; L36-T39 WeakPolarHBondContact CA-OG1 3.32Å; L36-T39 PolarHBondContact O-N 2.7Å; L36-T39 PolarHBondContact O-OG1 3.09Å; S37-T39 VanDerWaalsContact C-N 3.32Å; S37-T39 PolarHBondContact O-N 2.87Å; T39-L145 HydrophobicContact CG2-CB 3.49Å; T39-L145 VanDerWaalsContact CG2-CB 3.49Å; T39-L145 HydrophobicContact CG2-CD1 4.14Å; T39-L145 HydrophobicContact CG2-CG 4.45Å; T39-I149 HydrophobicContact CG2-CD1 3.53Å
40V70.4Confident77.6Confident115 Ų11571 Ų7170%0.69740%0.395SS*.Hα-helixtrans-94.7-38.2-176.6179.20000111.5L36 S37L36-V40 PolarHBondContact O-N 3.36Å; L36-V40 VanDerWaalsContact O-N 3.1Å; S37-V40 PolarHBondContact O-N 2.99Å
41F70.7Confident77Confident114 Ų11470.3 Ų70.350%0.539%0.39SS..SBendtrans-110.7141.2177.1-69.4-86.1000110.2S37 L38 V46S37-F41 WeakPolarHBondContact O-CA 3.48Å; S37-F41 VanDerWaalsContact O-CB 3.23Å; S37-F41 WeakPolarHBondContact O-CB 3.28Å; S37-F41 PolarHBondContact O-N 3.04Å; L38-F41 CarbonylContact C-O 3.59Å; L38-F41 VanDerWaalsContact CA-O 3.26Å; L38-F41 WeakPolarHBondContact CA-O 3.32Å; F41-V46 HydrophobicContact CB-CG2 3.9Å
42S71.6Confident76.8Confident75 Ų7573.3 Ų73.352%0.52440%0.402SS..  trans-52.3142175.4177.20000112.2V44 S45 V46S42-V44 PolarHBondContact O-N 3.41Å; S42-V44 PolarHBondContact OG-N 2.87Å; S42-S45 PolarHBondContact N-OG 3.47Å; S42-S45 PolarHBondContact O-N 2.8Å; S42-S45 PolarHBondContact O-OG 3.31Å; S42-V46 PolarHBondContact O-N 3.41Å; S42-V46 VanDerWaalsContact O-N 3.13Å
43I66.5Low76.7Confident97 Ų9774.5 Ų74.550%0.49742%0.417SS..Hα-helixtrans-50.6-35.7174.9-62.2168.4000111.4L38 T47L38-I43 HydrophobicContact CB-CG1 4.35Å; L38-I43 HydrophobicContact CD2-CB 4.08Å; L38-I43 HydrophobicContact CD2-CG1 3.91Å; L38-I43 HydrophobicContact CD2-CG2 4.22Å; I43-T47 WeakPolarHBondContact O-CB 3.37Å; I43-T47 PolarHBondContact O-N 3.04Å; I43-T47 PolarHBondContact O-OG1 2.92Å
44V69.3Low76.6Confident110 Ų11072.9 Ų72.967%0.66741%0.414SS*.Hα-helixtrans-63.3-45.7177.7-179.10000111.4S42 T47 A48S42-V44 PolarHBondContact O-N 3.41Å; S42-V44 PolarHBondContact OG-N 2.87Å; V44-T47 PolarHBondContact O-N 3.29Å; V44-A48 VanDerWaalsContact O-CB 3.31Å; V44-A48 WeakPolarHBondContact O-CB 3.19Å; V44-A48 PolarHBondContact O-N 2.8Å
45S74.7Confident76.3Confident33 Ų3374 Ų7423%0.23142%0.42CS..Hα-helixtrans-71-40.4-178.258.40000111.6S42 T47 A48 Y49S42-S45 PolarHBondContact N-OG 3.47Å; S42-S45 PolarHBondContact O-N 2.8Å; S42-S45 PolarHBondContact O-OG 3.31Å; S45-T47 PolarHBondContact O-N 3.47Å; S45-A48 PolarHBondContact O-N 2.84Å; S45-Y49 WeakPolarHBondContact O-CD2 3.34Å; S45-Y49 PolarHBondContact O-N 3.4Å
46V71.7Confident76.4Confident14 Ų1476 Ų769%0.08544%0.436CS..Hα-helixtrans-60.9-45.8175.2178.60000111L34 L38 F41 S42 A48 Y49 I50L34-V46 HydrophobicContact CD1-CG1 3.73Å; L38-V46 HydrophobicContact CD2-CB 3.56Å; L38-V46 HydrophobicContact CD2-CG1 3.8Å; L38-V46 HydrophobicContact CD2-CG2 3.7Å; L38-V46 HydrophobicContact CG-CG2 4.48Å; F41-V46 HydrophobicContact CB-CG2 3.9Å; S42-V46 PolarHBondContact O-N 3.41Å; S42-V46 VanDerWaalsContact O-N 3.13Å; V46-A48 VanDerWaalsContact C-N 3.33Å; V46-A48 PolarHBondContact O-N 3.44Å; V46-Y49 PolarHBondContact O-N 3.47Å; V46-I50 HydrophobicContact CG1-CD1 4.01Å; V46-I50 WeakPolarHBondContact O-CG1 3.23Å; V46-I50 PolarHBondContact O-N 3.45Å
47T70.9Confident76.5Confident83 Ų8376.6 Ų76.651%0.50944%0.443SS..Hα-helixtrans-61-43.2176.4-55.30000111.1I43 V44 S45 I50 A51I43-T47 WeakPolarHBondContact O-CB 3.37Å; I43-T47 PolarHBondContact O-N 3.04Å; I43-T47 PolarHBondContact O-OG1 2.92Å; V44-T47 PolarHBondContact O-N 3.29Å; S45-T47 PolarHBondContact O-N 3.47Å; T47-I50 PolarHBondContact O-N 3.5Å; T47-A51 WeakPolarHBondContact O-CB 3.27Å; T47-A51 PolarHBondContact O-N 3.41Å
48A76.3Confident76.5Confident46 Ų4677.5 Ų77.538%0.3845%0.447SS..Hα-helixtrans-62.7-43.4176.900000112.3V44 S45 V46 A51 L52V44-A48 VanDerWaalsContact O-CB 3.31Å; V44-A48 WeakPolarHBondContact O-CB 3.19Å; V44-A48 PolarHBondContact O-N 2.8Å; S45-A48 PolarHBondContact O-N 2.84Å; V46-A48 VanDerWaalsContact C-N 3.33Å; V46-A48 PolarHBondContact O-N 3.44Å; A48-A51 PolarHBondContact O-N 3.44Å; A48-L52 VanDerWaalsContact O-CB 3.32Å; A48-L52 WeakPolarHBondContact O-CB 3.32Å; A48-L52 VanDerWaalsContact O-CG 3.23Å; A48-L52 WeakPolarHBondContact O-CG 3.26Å; A48-L52 PolarHBondContact O-N 3.01Å
49Y79.6Confident76.6Confident152 Ų15280.7 Ų80.760%0.59646%0.463SS*.Hα-helixtrans-66.1-39.9178.1-74.8-58.2000112.7S45 V46 L52 A53S45-Y49 WeakPolarHBondContact O-CD2 3.34Å; S45-Y49 PolarHBondContact O-N 3.4Å; V46-Y49 PolarHBondContact O-N 3.47Å; Y49-L52 PolarHBondContact O-N 2.84Å; Y49-A53 VanDerWaalsContact O-CB 3.3Å; Y49-A53 WeakPolarHBondContact O-CB 3.39Å; Y49-A53 PolarHBondContact O-N 2.81Å
50I80.2Confident76.9Confident85 Ų8581.8 Ų81.844%0.43647%0.473SS..Hα-helixtrans-63-46.8174.3-66.9169.5000109.9L34 V46 T47 L52 A53 L54L34-I50 HydrophobicContact CD1-CD1 4.13Å; V46-I50 HydrophobicContact CG1-CD1 4.01Å; V46-I50 WeakPolarHBondContact O-CG1 3.23Å; V46-I50 PolarHBondContact O-N 3.45Å; T47-I50 PolarHBondContact O-N 3.5Å; I50-L52 PolarHBondContact O-N 2.82Å; I50-A53 PolarHBondContact O-N 2.92Å; I50-L54 HydrophobicContact CG2-CD1 4Å; I50-L54 HydrophobicContact CG2-CG 4.43Å; I50-L54 WeakPolarHBondContact O-CB 3.3Å; I50-L54 VanDerWaalsContact O-CG 3.32Å; I50-L54 WeakPolarHBondContact O-CG 3Å; I50-L54 PolarHBondContact O-N 3.47Å
51A75.2Confident77.4Confident46 Ų4680.5 Ų80.538%0.3846%0.459SS..Hα-helixtrans-61.1-43.8177.400000111.9T47 A48 L54 L55T47-A51 WeakPolarHBondContact O-CB 3.27Å; T47-A51 PolarHBondContact O-N 3.41Å; A48-A51 PolarHBondContact O-N 3.44Å; A51-L54 PolarHBondContact O-N 3.43Å; A51-L55 WeakPolarHBondContact O-CB 3.32Å; A51-L55 VanDerWaalsContact O-CG 3.28Å; A51-L55 WeakPolarHBondContact O-CG 3.29Å; A51-L55 PolarHBondContact O-N 2.8Å
52L83.7Confident77.6Confident107 Ų10780.6 Ų80.656%0.5646%0.456SS*.Hα-helixtrans-63.7-41.3176-75.6172.7000112.1A48 Y49 I50 L55 S56A48-L52 VanDerWaalsContact O-CB 3.32Å; A48-L52 WeakPolarHBondContact O-CB 3.32Å; A48-L52 VanDerWaalsContact O-CG 3.23Å; A48-L52 WeakPolarHBondContact O-CG 3.26Å; A48-L52 PolarHBondContact O-N 3.01Å; Y49-L52 PolarHBondContact O-N 2.84Å; I50-L52 PolarHBondContact O-N 2.82Å; L52-L55 PolarHBondContact O-N 2.79Å; L52-S56 VanDerWaalsContact O-CB 3.23Å; L52-S56 WeakPolarHBondContact O-CB 3.33Å; L52-S56 PolarHBondContact O-N 2.73Å
53A84.9Confident78Confident55 Ų5582 Ų8246%0.45546%0.456SS..Hα-helixtrans-63.4-46.5176.100000111.1Y49 I50 S56 V57Y49-A53 VanDerWaalsContact O-CB 3.3Å; Y49-A53 WeakPolarHBondContact O-CB 3.39Å; Y49-A53 PolarHBondContact O-N 2.81Å; I50-A53 PolarHBondContact O-N 2.92Å; A53-S56 PolarHBondContact O-N 2.85Å; A53-V57 VanDerWaalsContact O-CG2 3.31Å; A53-V57 WeakPolarHBondContact O-CG2 3.42Å; A53-V57 PolarHBondContact O-N 2.82Å
54L83.1Confident78.5Confident110 Ų11084.7 Ų84.758%0.57646%0.461SS*.Hα-helixtrans-62.8-42.7176.4-70.5174000112I50 A51 V57 T58I50-L54 HydrophobicContact CG2-CD1 4Å; I50-L54 HydrophobicContact CG2-CG 4.43Å; I50-L54 WeakPolarHBondContact O-CB 3.3Å; I50-L54 VanDerWaalsContact O-CG 3.32Å; I50-L54 WeakPolarHBondContact O-CG 3Å; I50-L54 PolarHBondContact O-N 3.47Å; A51-L54 PolarHBondContact O-N 3.43Å; L54-V57 PolarHBondContact O-N 3.31Å; L54-T58 WeakPolarHBondContact O-CB 3.39Å; L54-T58 PolarHBondContact O-N 2.99Å; L54-T58 PolarHBondContact O-OG1 3.28Å
55L79.7Confident78.7Confident100 Ų10082.9 Ų82.952%0.52444%0.444SS..Hα-helixtrans-64.1-43.8175.3-76.9177.7000111.5A51 L52 V57 T58 I59A51-L55 WeakPolarHBondContact O-CB 3.32Å; A51-L55 VanDerWaalsContact O-CG 3.28Å; A51-L55 WeakPolarHBondContact O-CG 3.29Å; A51-L55 PolarHBondContact O-N 2.8Å; L52-L55 PolarHBondContact O-N 2.79Å; L55-V57 PolarHBondContact O-N 3.39Å; L55-T58 WeakPolarHBondContact O-CB 3.25Å; L55-T58 PolarHBondContact O-N 3.31Å; L55-I59 WeakPolarHBondContact O-CB 3.46Å; L55-I59 VanDerWaalsContact O-CG1 3.22Å; L55-I59 WeakPolarHBondContact O-CG1 3.31Å; L55-I59 PolarHBondContact O-N 2.94Å
56S85.4Confident78.6Confident68 Ų6882.8 Ų82.848%0.47645%0.449SS..Hα-helixtrans-58.1-49.5176.2175.10000111L52 A53 T58 I59 S60L52-S56 VanDerWaalsContact O-CB 3.23Å; L52-S56 WeakPolarHBondContact O-CB 3.33Å; L52-S56 PolarHBondContact O-N 2.73Å; A53-S56 PolarHBondContact O-N 2.85Å; S56-T58 VanDerWaalsContact C-N 3.32Å; S56-T58 PolarHBondContact O-N 3.08Å; S56-I59 PolarHBondContact O-N 3.47Å; S56-S60 WeakPolarHBondContact O-CB 3.46Å; S56-S60 PolarHBondContact O-N 3.09Å; S56-S60 PolarHBondContact O-OG 3.46Å; S56-S60 VanDerWaalsContact O-OG 3.12Å
57V83.4Confident79Confident100 Ų10085.9 Ų85.961%0.60647%0.468SS*.Hα-helixtrans-59.1-43.5175.4172.40000111.2A53 L54 L55 F61A53-V57 VanDerWaalsContact O-CG2 3.31Å; A53-V57 WeakPolarHBondContact O-CG2 3.42Å; A53-V57 PolarHBondContact O-N 2.82Å; L54-V57 PolarHBondContact O-N 3.31Å; L55-V57 PolarHBondContact O-N 3.39Å; V57-F61 VanDerWaalsContact O-CB 3.24Å; V57-F61 WeakPolarHBondContact O-CB 3.47Å; V57-F61 PolarHBondContact O-N 2.85Å
58T79.2Confident79.3Confident44 Ų4484.5 Ų84.527%0.2746%0.456SS..Hα-helixtrans-64.2-44.2179.1-58.40000111.9L54 L55 S56 F61 R62 F80L54-T58 WeakPolarHBondContact O-CB 3.39Å; L54-T58 PolarHBondContact O-N 2.99Å; L54-T58 PolarHBondContact O-OG1 3.28Å; L55-T58 WeakPolarHBondContact O-CB 3.25Å; L55-T58 PolarHBondContact O-N 3.31Å; S56-T58 VanDerWaalsContact C-N 3.32Å; S56-T58 PolarHBondContact O-N 3.08Å; T58-F61 PolarHBondContact O-N 3.16Å; T58-R62 WeakPolarHBondContact O-CB 3.43Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.38Å; T58-F80 HydrophobicContact CG2-CD2 4.38Å; T58-F80 HydrophobicContact CG2-CE2 3.66Å; T58-F80 HydrophobicContact CG2-CZ 3.78Å
59I78.9Confident79Confident94 Ų9485.7 Ų85.748%0.48245%0.454SS..Hα-helixtrans-66.3-49179-69.7165.3000109.9L55 S56 F61 R62 I63L55-I59 WeakPolarHBondContact O-CB 3.46Å; L55-I59 VanDerWaalsContact O-CG1 3.22Å; L55-I59 WeakPolarHBondContact O-CG1 3.31Å; L55-I59 PolarHBondContact O-N 2.94Å; S56-I59 PolarHBondContact O-N 3.47Å; I59-F61 VanDerWaalsContact C-N 3.3Å; I59-F61 PolarHBondContact O-N 3.39Å; I59-R62 PolarHBondContact O-N 3.1Å; I59-R62 VanDerWaalsContact O-N 3.16Å; I59-I63 HydrophobicContact CG2-CD1 3.69Å; I59-I63 HydrophobicContact CG2-CG1 4.34Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.35Å; I59-I63 PolarHBondContact O-N 3Å
60S80.5Confident78.9Confident70 Ų7082.2 Ų82.249%0.4946%0.457SS..Hα-helixtrans-58-43.5176.6-64.90000111.7S56 I63 Y64S56-S60 WeakPolarHBondContact O-CB 3.46Å; S56-S60 PolarHBondContact O-N 3.09Å; S56-S60 PolarHBondContact O-OG 3.46Å; S56-S60 VanDerWaalsContact O-OG 3.12Å; S60-I63 PolarHBondContact O-N 3.28Å; S60-Y64 WeakPolarHBondContact O-CB 3.46Å; S60-Y64 PolarHBondContact O-N 2.77Å
61F80.1Confident78.9Confident88 Ų8884.5 Ų84.539%0.38647%0.468SS..Hα-helixtrans-64-42.3176-174.6-104.2000112.4V57 T58 I59 Y64 K65 P79 F80V57-F61 VanDerWaalsContact O-CB 3.24Å; V57-F61 WeakPolarHBondContact O-CB 3.47Å; V57-F61 PolarHBondContact O-N 2.85Å; T58-F61 PolarHBondContact O-N 3.16Å; I59-F61 VanDerWaalsContact C-N 3.3Å; I59-F61 PolarHBondContact O-N 3.39Å; F61-Y64 PolarHBondContact O-N 3.18Å; F61-K65 HydrophobicContact CD1-CG 4.34Å; F61-K65 HydrophobicContact CE1-CG 3.94Å; F61-K65 HydrophobicContact CE2-CG 4.4Å; F61-K65 HydrophobicContact CZ-CD 4.44Å; F61-K65 HydrophobicContact CZ-CG 3.98Å; F61-K65 WeakPolarHBondContact O-CB 3.22Å; F61-K65 PolarHBondContact O-N 3.19Å; F61-P79 HydrophobicContact CE1-CB 3.95Å; F61-P79 HydrophobicContact CE1-CG 4.3Å; F61-F80 AromaticContact CD1-CE2 3.91Å; F61-F80 HydrophobicContact CD1-CE2 3.91Å; F61-F80 AromaticContact CD1-CZ 3.65Å; F61-F80 HydrophobicContact CD1-CZ 3.65Å; F61-F80 HydrophobicContact CE1-CE2 4.49Å; F61-F80 HydrophobicContact CE1-CZ 4.2Å
62R75.7Confident78.8Confident116 Ų11688.3 Ų88.344%0.43848%0.478SS..Hα-helixtrans-63.2-42.3174.9-78.7-161.3-167.9-174.14.8112.4T58 I59 G66 H78 F80T58-R62 WeakPolarHBondContact O-CB 3.43Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.38Å; I59-R62 PolarHBondContact O-N 3.1Å; I59-R62 VanDerWaalsContact O-N 3.16Å; R62-G66 PolarHBondContact O-N 3.07Å; R62-H78 VanDerWaalsContact CZ-CE1 3.4Å; R62-H78 PolarHBondContact NE-NE2 2.78Å; R62-H78 PolarHBondContact NH1-NE2 3.38Å; R62-H78 PolarHBondContact NH2-CE1 3.32Å; R62-H78 PolarHBondContact NH2-NE2 3.35Å; R62-F80 HydrophobicContact CG-CD2 4.24Å; R62-F80 HydrophobicContact CG-CE2 3.82Å
63I78.6Confident78Confident105 Ų10592.8 Ų92.854%0.53849%0.493SS..Hα-helixtrans-63.9-47177.7-67.5167.3000109.5I59 S60 G66 V67I59-I63 HydrophobicContact CG2-CD1 3.69Å; I59-I63 HydrophobicContact CG2-CG1 4.34Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.35Å; I59-I63 PolarHBondContact O-N 3Å; S60-I63 PolarHBondContact O-N 3.28Å; I63-G66 PolarHBondContact O-N 2.87Å; I63-V67 HydrophobicContact CG2-CG2 4.36Å; I63-V67 VanDerWaalsContact O-CG2 3.27Å; I63-V67 WeakPolarHBondContact O-CG2 3.26Å; I63-V67 PolarHBondContact O-N 2.85Å
64Y77.2Confident76.8Confident152 Ų15292.2 Ų92.260%0.59649%0.486SS*.Hα-helixtrans-58.7-50.1177.1177.3-103.3000112.3S60 F61 G66 V67 I68S60-Y64 WeakPolarHBondContact O-CB 3.46Å; S60-Y64 PolarHBondContact O-N 2.77Å; F61-Y64 PolarHBondContact O-N 3.18Å; Y64-G66 VanDerWaalsContact C-N 3.35Å; Y64-G66 PolarHBondContact O-N 3.36Å; Y64-V67 PolarHBondContact O-N 3.04Å; Y64-I68 HydrophobicContact CD1-CD1 3.98Å; Y64-I68 HydrophobicContact CE1-CD1 3.34Å; Y64-I68 HydrophobicContact CE1-CG1 4.43Å; Y64-I68 HydrophobicContact CE2-CD1 4Å; Y64-I68 WeakPolarHBondContact O-CG1 3.39Å; Y64-I68 PolarHBondContact O-N 2.9Å
65K73.1Confident75.7Confident72 Ų7294.4 Ų94.431%0.31350%0.499SS..Hα-helixtrans-59.9-42.7174.4-86-99.1-173.71740111.7F61 I68 Q69 E76 P79F61-K65 HydrophobicContact CD1-CG 4.34Å; F61-K65 HydrophobicContact CE1-CG 3.94Å; F61-K65 HydrophobicContact CE2-CG 4.4Å; F61-K65 HydrophobicContact CZ-CD 4.44Å; F61-K65 HydrophobicContact CZ-CG 3.98Å; F61-K65 WeakPolarHBondContact O-CB 3.22Å; F61-K65 PolarHBondContact O-N 3.19Å; K65-I68 PolarHBondContact O-N 3.35Å; K65-Q69 VanDerWaalsContact O-CB 3.24Å; K65-Q69 WeakPolarHBondContact O-CB 3.08Å; K65-Q69 PolarHBondContact O-N 2.78Å; K65-E76 IonicContact NZ-OE2 3.8Å; K65-P79 HydrophobicContact CB-CG 4.25Å; K65-P79 HydrophobicContact CD-CB 3.98Å; K65-P79 HydrophobicContact CD-CG 4.32Å; K65-P79 HydrophobicContact CG-CB 4.29Å; K65-P79 HydrophobicContact CG-CG 4.22Å
66G73Confident74.6Confident32 Ų3295.3 Ų95.333%0.3350%0.5SS..Hα-helixtrans-64.9-38.2178.300000113R62 I63 Y64 Q69 A70R62-G66 PolarHBondContact O-N 3.07Å; I63-G66 PolarHBondContact O-N 2.87Å; Y64-G66 VanDerWaalsContact C-N 3.35Å; Y64-G66 PolarHBondContact O-N 3.36Å; G66-Q69 PolarHBondContact O-N 3.35Å; G66-A70 WeakPolarHBondContact O-CB 3.06Å; G66-A70 PolarHBondContact O-N 3.31Å
67V80Confident73.3Confident79 Ų7993.9 Ų93.948%0.47950%0.496SS..Hα-helixtrans-66.3-46.2173.1172.10000110.6I63 Y64 Q69 A70 I71I63-V67 HydrophobicContact CG2-CG2 4.36Å; I63-V67 VanDerWaalsContact O-CG2 3.27Å; I63-V67 WeakPolarHBondContact O-CG2 3.26Å; I63-V67 PolarHBondContact O-N 2.85Å; Y64-V67 PolarHBondContact O-N 3.04Å; V67-Q69 VanDerWaalsContact C-N 3.31Å; V67-Q69 PolarHBondContact O-N 3.21Å; V67-A70 PolarHBondContact O-N 3.43Å; V67-I71 HydrophobicContact CG1-CD1 3.78Å; V67-I71 WeakPolarHBondContact O-CD1 3.48Å; V67-I71 VanDerWaalsContact O-CG1 3.25Å; V67-I71 WeakPolarHBondContact O-CG1 3.22Å; V67-I71 PolarHBondContact O-N 2.98Å
68I76.9Confident72.1Confident53 Ų5392.1 Ų92.127%0.27248%0.481SS..Hα-helixtrans-59.3-43.9174-73-178000111Y64 K65 A70 I71 Q72Y64-I68 HydrophobicContact CD1-CD1 3.98Å; Y64-I68 HydrophobicContact CE1-CD1 3.34Å; Y64-I68 HydrophobicContact CE1-CG1 4.43Å; Y64-I68 HydrophobicContact CE2-CD1 4Å; Y64-I68 WeakPolarHBondContact O-CG1 3.39Å; Y64-I68 PolarHBondContact O-N 2.9Å; K65-I68 PolarHBondContact O-N 3.35Å; I68-A70 PolarHBondContact O-N 2.81Å; I68-I71 PolarHBondContact O-N 3.15Å; I68-Q72 HydrophobicContact CG2-CG 4.25Å; I68-Q72 WeakPolarHBondContact O-CB 3.38Å; I68-Q72 PolarHBondContact O-N 2.83Å
69Q70.1Confident71.3Confident71 Ų7192.2 Ų92.233%0.33248%0.482SS..Hα-helixtrans-60.7-44.3179.8-163.5-178.44.800111.4K65 G66 V67 I71 Q72 K73 S74 E76K65-Q69 VanDerWaalsContact O-CB 3.24Å; K65-Q69 WeakPolarHBondContact O-CB 3.08Å; K65-Q69 PolarHBondContact O-N 2.78Å; G66-Q69 PolarHBondContact O-N 3.35Å; V67-Q69 VanDerWaalsContact C-N 3.31Å; V67-Q69 PolarHBondContact O-N 3.21Å; Q69-I71 VanDerWaalsContact C-N 3.35Å; Q69-I71 PolarHBondContact O-N 3.4Å; Q69-Q72 PolarHBondContact O-N 3.3Å; Q69-K73 PolarHBondContact O-N 2.77Å; Q69-S74 WeakPolarHBondContact CG-O 3.14Å; Q69-S74 PolarHBondContact NE2-O 3.42Å; Q69-E76 PolarHBondContact NE2-O 3.29Å
70A77.5Confident70.3Confident79 Ų7990 Ų9065%0.65347%0.47SS*.Hα-helixtrans-64-38176.200000112.5G66 V67 I68G66-A70 WeakPolarHBondContact O-CB 3.06Å; G66-A70 PolarHBondContact O-N 3.31Å; V67-A70 PolarHBondContact O-N 3.43Å; I68-A70 PolarHBondContact O-N 2.81Å
71I81.1Confident69.2Low133 Ų13393.9 Ų93.968%0.68247%0.473SS*.Hα-helixtrans-72.2-41.1178.1-66.5166000111.2V67 I68 Q69V67-I71 HydrophobicContact CG1-CD1 3.78Å; V67-I71 WeakPolarHBondContact O-CD1 3.48Å; V67-I71 VanDerWaalsContact O-CG1 3.25Å; V67-I71 WeakPolarHBondContact O-CG1 3.22Å; V67-I71 PolarHBondContact O-N 2.98Å; I68-I71 PolarHBondContact O-N 3.15Å; Q69-I71 VanDerWaalsContact C-N 3.35Å; Q69-I71 PolarHBondContact O-N 3.4Å
72Q73.3Confident68.3Low126 Ų12693.2 Ų93.259%0.58949%0.485SS*.Hα-helixtrans-86.8-6.2-175.3-71.7-178-14.500114I68 Q69 S74I68-Q72 HydrophobicContact CG2-CG 4.25Å; I68-Q72 WeakPolarHBondContact O-CB 3.38Å; I68-Q72 PolarHBondContact O-N 2.83Å; Q69-Q72 PolarHBondContact O-N 3.3Å; Q72-S74 PolarHBondContact O-N 2.9Å
73K67.3Low67.5Low201 Ų20196.4 Ų96.487%0.87450%0.498SS*.THydrogen-bonded Turntrans44.332.1-169.5-76.9-173.4173.8-178.90112.3Q69Q69-K73 PolarHBondContact O-N 2.77Å
74S59.1Low66.5Low44 Ų4497.1 Ų97.131%0.30850%0.502SS..  trans-93.2127.5-176.6-1730000108.9Q69 Q72 E76Q69-S74 WeakPolarHBondContact CG-O 3.14Å; Q69-S74 PolarHBondContact NE2-O 3.42Å; Q72-S74 PolarHBondContact O-N 2.9Å; S74-E76 PolarHBondContact O-N 3.47Å
75D58.9Low65.7Low156 Ų15696.2 Ų96.283%0.83450%0.503SS*.  trans-83.546.3178.7-147-6.6000111.1G77D75-G77 PolarHBondContact O-N 2.87Å
76E57.8Low64.7Low118 Ų11896.1 Ų96.155%0.55151%0.512SS*.  trans-73.998.8169.4-79.4-169.717100107.8K65 Q69 S74K65-E76 IonicContact NZ-OE2 3.8Å; Q69-E76 PolarHBondContact NE2-O 3.29Å; S74-E76 PolarHBondContact O-N 3.47Å
77G57.6Low63.7Low39 Ų39103 Ų10340%0.40254%0.535SS..  trans-48.7161.8176.400000113.5D75D75-G77 PolarHBondContact O-N 2.87Å
78H57.9Low62.5Low63 Ų63105.4 Ų105.429%0.29255%0.55SS..  trans-31.1118.8-175.9-172.4-87.7000113.9R62 F80 R81R62-H78 VanDerWaalsContact CZ-CE1 3.4Å; R62-H78 PolarHBondContact NE-NE2 2.78Å; R62-H78 PolarHBondContact NH1-NE2 3.38Å; R62-H78 PolarHBondContact NH2-CE1 3.32Å; R62-H78 PolarHBondContact NH2-NE2 3.35Å; H78-F80 AromaticContact CE1-CD2 3.99Å; H78-F80 PolarHBondContact ND1-N 3.17Å; H78-F80 PolarHBondContact O-N 2.82Å; H78-R81 HydrophobicContact CB-CG 4.28Å; H78-R81 WeakPolarHBondContact O-CB 3.05Å; H78-R81 PolarHBondContact O-N 3.31Å
79P63.2Low61.8Low45 Ų45106.4 Ų106.429%0.29257%0.566SS.*THydrogen-bonded Turntrans-62.8-15.2-167.822-33.4000114.8F61 K65F61-P79 HydrophobicContact CE1-CB 3.95Å; F61-P79 HydrophobicContact CE1-CG 4.3Å; K65-P79 HydrophobicContact CB-CG 4.25Å; K65-P79 HydrophobicContact CD-CB 3.98Å; K65-P79 HydrophobicContact CD-CG 4.32Å; K65-P79 HydrophobicContact CG-CB 4.29Å; K65-P79 HydrophobicContact CG-CG 4.22Å
80F57.7Low61.3Low49 Ų49109.1 Ų109.122%0.21558%0.581CS.*THydrogen-bonded Turntrans-101.512.4174.9-58.2-80.3000113.9T58 F61 R62 H78 A82 Y83 L84T58-F80 HydrophobicContact CG2-CD2 4.38Å; T58-F80 HydrophobicContact CG2-CE2 3.66Å; T58-F80 HydrophobicContact CG2-CZ 3.78Å; F61-F80 AromaticContact CD1-CE2 3.91Å; F61-F80 HydrophobicContact CD1-CE2 3.91Å; F61-F80 AromaticContact CD1-CZ 3.65Å; F61-F80 HydrophobicContact CD1-CZ 3.65Å; F61-F80 HydrophobicContact CE1-CE2 4.49Å; F61-F80 HydrophobicContact CE1-CZ 4.2Å; R62-F80 HydrophobicContact CG-CD2 4.24Å; R62-F80 HydrophobicContact CG-CE2 3.82Å; H78-F80 AromaticContact CE1-CD2 3.99Å; H78-F80 PolarHBondContact ND1-N 3.17Å; H78-F80 PolarHBondContact O-N 2.82Å; F80-A82 VanDerWaalsContact C-N 3.32Å; F80-A82 PolarHBondContact O-N 3.47Å; F80-Y83 HydrophobicContact CD1-CD2 4.29Å; F80-Y83 PolarHBondContact O-N 2.81Å; F80-L84 WeakPolarHBondContact O-CG 3.35Å; F80-L84 PolarHBondContact O-N 2.84Å
81R58.1Low61Low150 Ų150108.1 Ų108.157%0.56657%0.57SS**Hα-helixtrans-55.7-45.4179.9-112.7-172.3-172.3177.42.7112.2H78 Y83 L84 E85H78-R81 HydrophobicContact CB-CG 4.28Å; H78-R81 WeakPolarHBondContact O-CB 3.05Å; H78-R81 PolarHBondContact O-N 3.31Å; R81-Y83 PolarHBondContact O-N 3.42Å; R81-L84 PolarHBondContact O-N 3.5Å; R81-L84 VanDerWaalsContact O-N 3.07Å; R81-E85 VanDerWaalsContact O-CB 3.31Å; R81-E85 WeakPolarHBondContact O-CB 3.21Å; R81-E85 WeakPolarHBondContact O-CG 3.48Å; R81-E85 PolarHBondContact O-N 3.25Å
82A59.8Low60.7Low75 Ų75109.3 Ų109.362%0.6257%0.572SS**Hα-helixtrans-59.3-30.7176.700000113.5F80 S86F80-A82 VanDerWaalsContact C-N 3.32Å; F80-A82 PolarHBondContact O-N 3.47Å; A82-S86 WeakPolarHBondContact O-CB 3.49Å; A82-S86 PolarHBondContact O-N 2.69Å
83Y58.4Low60.8Low183 Ų183110.6 Ų110.672%0.71858%0.578SS**Hα-helixtrans-84.5-29175.7-72.1-80000113.2F80 R81F80-Y83 HydrophobicContact CD1-CD2 4.29Å; F80-Y83 PolarHBondContact O-N 2.81Å; R81-Y83 PolarHBondContact O-N 3.42Å
84L59.5Low61Low120 Ų120105.4 Ų105.463%0.62856%0.56SS**Hα-helixtrans-76-32.2174-73.9165.6000112.1F80 R81F80-L84 WeakPolarHBondContact O-CG 3.35Å; F80-L84 PolarHBondContact O-N 2.84Å; R81-L84 PolarHBondContact O-N 3.5Å; R81-L84 VanDerWaalsContact O-N 3.07Å
85E58.5Low61.8Low133 Ų133107 Ų10762%0.62157%0.567SS**Hα-helixtrans-84.7-20.4177.4-72171.2-163.200112.6R81 E87R81-E85 VanDerWaalsContact O-CB 3.31Å; R81-E85 WeakPolarHBondContact O-CB 3.21Å; R81-E85 WeakPolarHBondContact O-CG 3.48Å; R81-E85 PolarHBondContact O-N 3.25Å; E85-E87 PolarHBondContact O-N 3.43Å
86S52.2Low62.8Low70 Ų70105.3 Ų105.349%0.4955%0.554SS.*SBendtrans-63.6102.8167.6-176.30000107.4A82 V88A82-S86 WeakPolarHBondContact O-CB 3.49Å; A82-S86 PolarHBondContact O-N 2.69Å; S86-V88 VanDerWaalsContact C-N 3.31Å; S86-V88 WeakPolarHBondContact O-CG2 3.16Å; S86-V88 PolarHBondContact O-N 2.98Å
87E52.8Low63.8Low176 Ų176107.2 Ų107.282%0.82256%0.561SS**  trans-55.998.3170-82-176.7151.900108.5E85 A89E85-E87 PolarHBondContact O-N 3.43Å; E87-A89 HydrophobicContact CB-CB 4.24Å; E87-A89 PolarHBondContact O-N 3.25Å
88V55.8Low64.7Low130 Ų130113.3 Ų113.379%0.78857%0.573SS**  trans-75.541.3162.9-165.60000108S86 I90S86-V88 VanDerWaalsContact C-N 3.31Å; S86-V88 WeakPolarHBondContact O-CG2 3.16Å; S86-V88 PolarHBondContact O-N 2.98Å; V88-I90 PolarHBondContact O-N 3.34Å
89A62Low65.9Low73 Ų73112.5 Ų112.560%0.60357%0.574SS**  trans-75112.6172.800000106.5E87 S91E87-A89 HydrophobicContact CB-CB 4.24Å; E87-A89 PolarHBondContact O-N 3.25Å; A89-S91 PolarHBondContact O-N 2.94Å; A89-S91 VanDerWaalsContact O-N 3.12Å
90I58.6Low66.9Low129 Ų129115.5 Ų115.566%0.66259%0.588SS**  trans-64115.3167.1-57.6176.8000105.6V88 E92 V95V88-I90 PolarHBondContact O-N 3.34Å; I90-E92 PolarHBondContact O-N 3.48Å; I90-E92 VanDerWaalsContact O-N 3.14Å; I90-V95 HydrophobicContact CB-CG2 4.32Å; I90-V95 HydrophobicContact CG2-CG2 3.53Å
91S71.8Confident68Low58 Ų58116.3 Ų116.341%0.40660%0.599SS.*  trans-48.8121.5-179.1174.30000110.7A89 E93 L94 V95A89-S91 PolarHBondContact O-N 2.94Å; A89-S91 VanDerWaalsContact O-N 3.12Å; S91-E93 PolarHBondContact O-N 3.45Å; S91-E93 VanDerWaalsContact O-N 3.16Å; S91-L94 WeakPolarHBondContact O-CB 3.4Å; S91-L94 PolarHBondContact O-N 2.92Å; S91-V95 PolarHBondContact O-N 3.24Å
92E74.9Confident69.3Low157 Ų157111.6 Ų111.673%0.73459%0.593SS**Hα-helixtrans-55.4-34-178.4-67.5-174173.900111.8I90 L94 V95 Q96I90-E92 PolarHBondContact O-N 3.48Å; I90-E92 VanDerWaalsContact O-N 3.14Å; E92-L94 PolarHBondContact O-N 3.3Å; E92-V95 CarbonylContact O-C 3.6Å; E92-V95 PolarHBondContact O-N 3.47Å; E92-Q96 WeakPolarHBondContact O-CB 3.16Å; E92-Q96 PolarHBondContact O-N 3.02Å
93E76Confident70.5Confident154 Ų154112.2 Ų112.272%0.7259%0.585SS**Hα-helixtrans-62.7-39.9176.6-65.6-171.6171.800112.7S91 K97S91-E93 PolarHBondContact O-N 3.45Å; S91-E93 VanDerWaalsContact O-N 3.16Å; E93-K97 VanDerWaalsContact O-CB 3.24Å; E93-K97 WeakPolarHBondContact O-CB 3.26Å; E93-K97 PolarHBondContact O-N 3.46Å
94L70.8Confident71.9Confident92 Ų92105.5 Ų105.548%0.48257%0.571SS.*Hα-helixtrans-65.5-46174.6-66.3177.3000109.5S91 E92 Q96 K97 Y98S91-L94 WeakPolarHBondContact O-CB 3.4Å; S91-L94 PolarHBondContact O-N 2.92Å; E92-L94 PolarHBondContact O-N 3.3Å; L94-Q96 PolarHBondContact O-N 3.42Å; L94-K97 PolarHBondContact O-N 2.94Å; L94-Y98 HydrophobicContact CB-CD2 4.41Å; L94-Y98 HydrophobicContact CD2-CE2 4.28Å; L94-Y98 WeakPolarHBondContact O-CB 3.33Å; L94-Y98 WeakPolarHBondContact O-CD2 3.36Å; L94-Y98 PolarHBondContact O-N 3.03Å
95V75.4Confident73.2Confident76 Ų76105.9 Ų105.946%0.46157%0.57SS.*Hα-helixtrans-59.8-47.2178-178.90000110.6I90 S91 E92 S99I90-V95 HydrophobicContact CB-CG2 4.32Å; I90-V95 HydrophobicContact CG2-CG2 3.53Å; S91-V95 PolarHBondContact O-N 3.24Å; E92-V95 CarbonylContact O-C 3.6Å; E92-V95 PolarHBondContact O-N 3.47Å; V95-S99 WeakPolarHBondContact O-CA 3.08Å; V95-S99 WeakPolarHBondContact O-CB 3.48Å; V95-S99 PolarHBondContact O-N 2.9Å
96Q80.1Confident74.6Confident121 Ų121103.1 Ų103.157%0.56556%0.562SS**Hα-helixtrans-65.6-41.5179.3-106163.1-4.900112.9E92 L94 S99 N100E92-Q96 WeakPolarHBondContact O-CB 3.16Å; E92-Q96 PolarHBondContact O-N 3.02Å; L94-Q96 PolarHBondContact O-N 3.42Å; Q96-S99 PolarHBondContact O-N 3.38Å; Q96-N100 VanDerWaalsContact O-CB 3.29Å; Q96-N100 WeakPolarHBondContact O-CB 3.36Å; Q96-N100 PolarHBondContact O-N 3.38Å; Q96-N100 PolarHBondContact O-ND2 3.17Å
97K79.4Confident76.4Confident158 Ų158104.4 Ų104.469%0.68756%0.563SS**Hα-helixtrans-64.4-47.3178.3-174.3176.2-178175.90111.7E93 L94 S101E93-K97 VanDerWaalsContact O-CB 3.24Å; E93-K97 WeakPolarHBondContact O-CB 3.26Å; E93-K97 PolarHBondContact O-N 3.46Å; L94-K97 PolarHBondContact O-N 2.94Å; K97-S101 PolarHBondContact O-N 2.86Å
98Y76.3Confident78.1Confident168 Ų168100 Ų10066%0.65955%0.551SS**Hα-helixtrans-72.1-36.9177.5-72.9-69.7000111.7L94 A102L94-Y98 HydrophobicContact CB-CD2 4.41Å; L94-Y98 HydrophobicContact CD2-CE2 4.28Å; L94-Y98 WeakPolarHBondContact O-CB 3.33Å; L94-Y98 WeakPolarHBondContact O-CD2 3.36Å; L94-Y98 PolarHBondContact O-N 3.03Å; Y98-A102 WeakPolarHBondContact O-CB 3.34Å; Y98-A102 PolarHBondContact O-N 3.17Å
99S82.7Confident79.5Confident45 Ų4597.5 Ų97.532%0.31554%0.537SS..Hα-helixtrans-63-52176.7174.60000111.3V95 Q96 S101 A102 L103V95-S99 WeakPolarHBondContact O-CA 3.08Å; V95-S99 WeakPolarHBondContact O-CB 3.48Å; V95-S99 PolarHBondContact O-N 2.9Å; Q96-S99 PolarHBondContact O-N 3.38Å; S99-S101 VanDerWaalsContact C-N 3.32Å; S99-S101 PolarHBondContact O-N 3.13Å; S99-A102 PolarHBondContact O-N 3.1Å; S99-L103 WeakPolarHBondContact O-CB 3.3Å; S99-L103 WeakPolarHBondContact O-CG 3.23Å; S99-L103 PolarHBondContact O-N 3.23Å; S99-L103 WeakPolarHBondContact OG-CD1 3.34Å
100N83.8Confident80.7Confident109 Ų10998.6 Ų98.658%0.58353%0.531SS*.Hα-helixtrans-61.5-42.6-178.3-72.7-16.9000111.7Q96 G104Q96-N100 VanDerWaalsContact O-CB 3.29Å; Q96-N100 WeakPolarHBondContact O-CB 3.36Å; Q96-N100 PolarHBondContact O-N 3.38Å; Q96-N100 PolarHBondContact O-ND2 3.17Å; N100-G104 PolarHBondContact O-N 2.73Å
101S81.9Confident82.1Confident65 Ų6599.2 Ų99.246%0.45553%0.53SS..Hα-helixtrans-64.8-50174.8-173.20000111.1K97 S99 L103 G104 H105K97-S101 PolarHBondContact O-N 2.86Å; S99-S101 VanDerWaalsContact C-N 3.32Å; S99-S101 PolarHBondContact O-N 3.13Å; S101-L103 PolarHBondContact O-N 2.87Å; S101-G104 PolarHBondContact O-N 2.63Å; S101-H105 PolarHBondContact O-N 3.29Å; S101-H105 PolarHBondContact O-ND1 3.3Å
102A84.9Confident82.6Confident52 Ų52100.4 Ų100.443%0.4353%0.529SS..Hα-helixtrans-61.3-46.4-179.600000111.8Y98 S99 G104 H105 V106Y98-A102 WeakPolarHBondContact O-CB 3.34Å; Y98-A102 PolarHBondContact O-N 3.17Å; S99-A102 PolarHBondContact O-N 3.1Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.42Å; A102-H105 PolarHBondContact O-N 2.78Å; A102-V106 WeakPolarHBondContact O-CB 3.32Å; A102-V106 WeakPolarHBondContact O-CG2 3.37Å; A102-V106 PolarHBondContact O-N 3.45Å
103L85.7Confident82.9Confident87 Ų8796.5 Ų96.546%0.45551%0.513SS..Hα-helixtrans-59.7-42175.5-72.8175.1000111.4S99 S101 H105 V106 N107S99-L103 WeakPolarHBondContact O-CB 3.3Å; S99-L103 WeakPolarHBondContact O-CG 3.23Å; S99-L103 PolarHBondContact O-N 3.23Å; S99-L103 WeakPolarHBondContact OG-CD1 3.34Å; S101-L103 PolarHBondContact O-N 2.87Å; L103-H105 PolarHBondContact O-N 2.97Å; L103-V106 PolarHBondContact O-N 3.22Å; L103-N107 WeakPolarHBondContact O-CB 3.26Å; L103-N107 PolarHBondContact O-N 3.19Å; L103-N107 PolarHBondContact O-ND2 2.78Å; L103-N107 VanDerWaalsContact O-ND2 3.16Å
104G86.6Confident83.2Confident42 Ų4296.8 Ų96.843%0.43351%0.507SS..Hα-helixtrans-58.2-47.8174.200000112.4N100 S101 A102 S108N100-G104 PolarHBondContact O-N 2.73Å; S101-G104 PolarHBondContact O-N 2.63Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.42Å; G104-S108 VanDerWaalsContact O-CB 3.32Å; G104-S108 WeakPolarHBondContact O-CB 3.45Å; G104-S108 PolarHBondContact O-N 2.91Å
105H86.5Confident83.8Confident128 Ų12895.7 Ų95.759%0.59350%0.496SS*.Hα-helixtrans-67.7-44.4178.6-69.878.1000112.2S101 A102 L103 S108 T109S101-H105 PolarHBondContact O-N 3.29Å; S101-H105 PolarHBondContact O-ND1 3.3Å; A102-H105 PolarHBondContact O-N 2.78Å; L103-H105 PolarHBondContact O-N 2.97Å; H105-S108 PolarHBondContact O-N 3.25Å; H105-T109 WeakPolarHBondContact O-CB 3.44Å; H105-T109 PolarHBondContact O-N 2.9Å; H105-T109 PolarHBondContact O-OG1 2.75Å
106V87.8Confident84.1Confident75 Ų7593.1 Ų93.146%0.45548%0.48SS..Hα-helixtrans-62.9-47.6178169.90000110.6A102 L103 S108 T109 I110A102-V106 WeakPolarHBondContact O-CB 3.32Å; A102-V106 WeakPolarHBondContact O-CG2 3.37Å; A102-V106 PolarHBondContact O-N 3.45Å; L103-V106 PolarHBondContact O-N 3.22Å; V106-S108 PolarHBondContact O-N 3.45Å; V106-T109 PolarHBondContact O-N 3.46Å; V106-I110 HydrophobicContact CG1-CD1 3.62Å; V106-I110 HydrophobicContact CG1-CG1 4.31Å; V106-I110 WeakPolarHBondContact O-CB 3.5Å; V106-I110 VanDerWaalsContact O-CG1 3.28Å; V106-I110 WeakPolarHBondContact O-CG1 3.31Å; V106-I110 PolarHBondContact O-N 3.37Å
107N90.1Very high83.9Confident98 Ų9895.7 Ų95.752%0.52449%0.49SS..Hα-helixtrans-63.3-41.2177.9-73.7-27.5000111.8L103 T109 I110 K111L103-N107 WeakPolarHBondContact O-CB 3.26Å; L103-N107 PolarHBondContact O-N 3.19Å; L103-N107 PolarHBondContact O-ND2 2.78Å; L103-N107 VanDerWaalsContact O-ND2 3.16Å; N107-T109 VanDerWaalsContact C-N 3.32Å; N107-T109 PolarHBondContact O-N 2.81Å; N107-I110 PolarHBondContact O-N 2.86Å; N107-K111 WeakPolarHBondContact O-CB 3.44Å; N107-K111 PolarHBondContact O-N 2.8Å
108S88.8Confident83.8Confident82 Ų8294.4 Ų94.457%0.57349%0.49SS*.Hα-helixtrans-61.9-42.2174.1-169.30000111.6G104 H105 V106 K111 E112G104-S108 VanDerWaalsContact O-CB 3.32Å; G104-S108 WeakPolarHBondContact O-CB 3.45Å; G104-S108 PolarHBondContact O-N 2.91Å; H105-S108 PolarHBondContact O-N 3.25Å; V106-S108 PolarHBondContact O-N 3.45Å; S108-K111 PolarHBondContact O-N 2.8Å; S108-E112 PolarHBondContact O-N 2.69Å
109T84.6Confident83.9Confident79 Ų7990.1 Ų90.149%0.48548%0.481SS..Hα-helixtrans-66.7-44.2178.9-55.80000111H105 V106 N107 K111 E112 L113H105-T109 WeakPolarHBondContact O-CB 3.44Å; H105-T109 PolarHBondContact O-N 2.9Å; H105-T109 PolarHBondContact O-OG1 2.75Å; V106-T109 PolarHBondContact O-N 3.46Å; N107-T109 VanDerWaalsContact C-N 3.32Å; N107-T109 PolarHBondContact O-N 2.81Å; T109-K111 VanDerWaalsContact C-N 3.34Å; T109-K111 PolarHBondContact O-N 3.36Å; T109-E112 PolarHBondContact O-N 3.5Å; T109-L113 HydrophobicContact CG2-CD1 4.02Å; T109-L113 HydrophobicContact CG2-CG 4.32Å; T109-L113 WeakPolarHBondContact O-CB 3.48Å; T109-L113 VanDerWaalsContact O-CG 3.24Å; T109-L113 WeakPolarHBondContact O-CG 3.44Å; T109-L113 PolarHBondContact O-N 3.05Å
110I87.3Confident83.7Confident95 Ų9593.7 Ų93.749%0.48750%0.496SS..Hα-helixtrans-62.8-41.3175.9-69.5168.3000110.8V106 N107 L113 R114V106-I110 HydrophobicContact CG1-CD1 3.62Å; V106-I110 HydrophobicContact CG1-CG1 4.31Å; V106-I110 WeakPolarHBondContact O-CB 3.5Å; V106-I110 VanDerWaalsContact O-CG1 3.28Å; V106-I110 WeakPolarHBondContact O-CG1 3.31Å; V106-I110 PolarHBondContact O-N 3.37Å; N107-I110 PolarHBondContact O-N 2.86Å; I110-L113 PolarHBondContact O-N 3.46Å; I110-R114 VanDerWaalsContact O-CB 3.26Å; I110-R114 WeakPolarHBondContact O-CB 3.27Å; I110-R114 PolarHBondContact O-N 2.85Å
111K89.1Confident83.5Confident143 Ų14391.2 Ų91.262%0.62248%0.483SS*.Hα-helixtrans-63.1-42.4177.3-172.5179.3177.8-1760111.5N107 S108 T109 R114 R115N107-K111 WeakPolarHBondContact O-CB 3.44Å; N107-K111 PolarHBondContact O-N 2.8Å; S108-K111 PolarHBondContact O-N 2.8Å; T109-K111 VanDerWaalsContact C-N 3.34Å; T109-K111 PolarHBondContact O-N 3.36Å; K111-R114 PolarHBondContact O-N 3.31Å; K111-R115 PolarHBondContact O-N 2.86Å
112E81.2Confident83.4Confident82 Ų8294.1 Ų94.138%0.38349%0.493SS..Hα-helixtrans-69.8-44.2177.2-165.359.8-150.600111.8S108 T109 R114 R115 L116S108-E112 PolarHBondContact O-N 2.69Å; T109-E112 PolarHBondContact O-N 3.5Å; E112-R114 VanDerWaalsContact C-N 3.26Å; E112-R114 PolarHBondContact O-N 3.16Å; E112-R115 WeakPolarHBondContact O-CB 3.17Å; E112-R115 PolarHBondContact O-N 3.17Å; E112-R115 VanDerWaalsContact O-N 3.09Å; E112-R115 IonicContact OE1-NH1 3.77Å; E112-R115 PolarHBondContact OE1-NH1 3.04Å; E112-L116 HydrophobicContact CG-CD1 4.01Å; E112-L116 HydrophobicContact CG-CG 4.41Å; E112-L116 WeakPolarHBondContact O-CB 3.31Å; E112-L116 VanDerWaalsContact O-CG 3.29Å; E112-L116 WeakPolarHBondContact O-CG 3.48Å; E112-L116 PolarHBondContact O-N 3.42Å
113L81.1Confident83.2Confident76 Ų7695.5 Ų95.540%0.39850%0.496SS..Hα-helixtrans-58-41.1173.3-74.2174.1000111.3T109 I110 L116 F117 F128T109-L113 HydrophobicContact CG2-CD1 4.02Å; T109-L113 HydrophobicContact CG2-CG 4.32Å; T109-L113 WeakPolarHBondContact O-CB 3.48Å; T109-L113 VanDerWaalsContact O-CG 3.24Å; T109-L113 WeakPolarHBondContact O-CG 3.44Å; T109-L113 PolarHBondContact O-N 3.05Å; I110-L113 PolarHBondContact O-N 3.46Å; L113-L116 PolarHBondContact O-N 3.41Å; L113-F117 WeakPolarHBondContact O-CB 3.02Å; L113-F117 PolarHBondContact O-N 2.93Å; L113-F128 HydrophobicContact CD2-CE1 4.2Å; L113-F128 HydrophobicContact CD2-CE2 3.89Å; L113-F128 HydrophobicContact CD2-CZ 3.44Å; L113-F128 VanDerWaalsContact CD2-CZ 3.44Å
114R82.1Confident82.8Confident160 Ų16093.7 Ų93.760%0.60449%0.487SS*.Hα-helixtrans-61.5-45.8174.4-173.8-17971.8176.85.7111I110 K111 E112 F117 L118I110-R114 VanDerWaalsContact O-CB 3.26Å; I110-R114 WeakPolarHBondContact O-CB 3.27Å; I110-R114 PolarHBondContact O-N 2.85Å; K111-R114 PolarHBondContact O-N 3.31Å; E112-R114 VanDerWaalsContact C-N 3.26Å; E112-R114 PolarHBondContact O-N 3.16Å; R114-F117 PolarHBondContact O-N 3.26Å; R114-L118 WeakPolarHBondContact O-CB 3.31Å; R114-L118 PolarHBondContact O-N 2.74Å
115R84.5Confident82.5Confident69 Ų6992.4 Ų92.426%0.2647%0.471SS..Hα-helixtrans-59.6-47.5177.2-177.4-176.4168.6-106.2-4.2111.7K111 E112 V119 D120 D121 D124K111-R115 PolarHBondContact O-N 2.86Å; E112-R115 WeakPolarHBondContact O-CB 3.17Å; E112-R115 PolarHBondContact O-N 3.17Å; E112-R115 VanDerWaalsContact O-N 3.09Å; E112-R115 IonicContact OE1-NH1 3.77Å; E112-R115 PolarHBondContact OE1-NH1 3.04Å; R115-V119 PolarHBondContact O-N 2.86Å; R115-D120 HydrophobicContact CG-CB 3.49Å; R115-D120 VanDerWaalsContact CG-CB 3.49Å; R115-D120 WeakPolarHBondContact CG-OD2 3.23Å; R115-D120 IonicContact NE-OD2 3.06Å; R115-D120 PolarHBondContact NE-OD2 2.91Å; R115-D120 WeakPolarHBondContact O-CB 3.16Å; R115-D120 PolarHBondContact O-N 3.3Å; R115-D120 VanDerWaalsContact O-N 3.08Å; R115-D121 IonicContact NH2-OD2 3.48Å; R115-D124 IonicContact CZ-OD2 3.83Å; R115-D124 IonicContact NH1-OD2 3.22Å; R115-D124 PolarHBondContact NH1-OD2 3.14Å; R115-D124 IonicContact NH2-OD2 3.95Å; R115-D124 PolarHBondContact NH2-OD2 3.16Å
116L82.2Confident82.3Confident21 Ų2191.5 Ų91.511%0.1147%0.47CS..Hα-helixtrans-67.8-38.3179.4-67.9168.6000112.3E112 L113 V119 D124 S125 F128E112-L116 HydrophobicContact CG-CD1 4.01Å; E112-L116 HydrophobicContact CG-CG 4.41Å; E112-L116 WeakPolarHBondContact O-CB 3.31Å; E112-L116 VanDerWaalsContact O-CG 3.29Å; E112-L116 WeakPolarHBondContact O-CG 3.48Å; E112-L116 PolarHBondContact O-N 3.42Å; L113-L116 PolarHBondContact O-N 3.41Å; L116-V119 PolarHBondContact O-N 3.12Å; L116-D124 VanDerWaalsContact CD2-C 3.49Å; L116-D124 HydrophobicContact CD2-CB 3.63Å; L116-S125 WeakPolarHBondContact O-CB 3.29Å; L116-S125 PolarHBondContact O-OG 3.17Å; L116-F128 HydrophobicContact CB-CD1 4.36Å; L116-F128 HydrophobicContact CB-CG 4.45Å; L116-F128 HydrophobicContact CD1-CB 4.06Å; L116-F128 HydrophobicContact CD1-CD1 4.4Å; L116-F128 HydrophobicContact CD1-CD2 3.78Å; L116-F128 HydrophobicContact CD1-CE2 4.33Å; L116-F128 HydrophobicContact CD1-CG 3.81Å; L116-F128 HydrophobicContact CD2-CB 4.15Å
117F74.3Confident82Confident176 Ų17693.6 Ų93.677%0.77247%0.473SS*.Hα-helixtrans-76.3-33.2179.6-161.3-97.3000112.5L113 R114 V119L113-F117 WeakPolarHBondContact O-CB 3.02Å; L113-F117 PolarHBondContact O-N 2.93Å; R114-F117 PolarHBondContact O-N 3.26Å; F117-V119 PolarHBondContact O-N 2.99Å
118L78.7Confident81.7Confident131 Ų13192.1 Ų92.169%0.68646%0.462SS*.THydrogen-bonded Turntrans-74.2-4.4170.9-108.868.4000113.6R114 D120R114-L118 WeakPolarHBondContact O-CB 3.31Å; R114-L118 PolarHBondContact O-N 2.74Å; L118-D120 VanDerWaalsContact C-N 3.26Å; L118-D120 PolarHBondContact O-N 3.28Å
119V78.6Confident81.4Confident78 Ų7890.8 Ų90.847%0.47346%0.455SS..THydrogen-bonded Turntrans55.244.2-177.1-161.20000111.6R115 L116 F117 D121 L122 S125R115-V119 PolarHBondContact O-N 2.86Å; L116-V119 PolarHBondContact O-N 3.12Å; F117-V119 PolarHBondContact O-N 2.99Å; V119-D121 PolarHBondContact O-N 3.47Å; V119-L122 HydrophobicContact CG1-CB 4.19Å; V119-L122 HydrophobicContact CG1-CG 4.41Å; V119-S125 WeakPolarHBondContact CA-OG 3.02Å
120D77.6Confident81.4Confident119 Ų11990.8 Ų90.864%0.63646%0.455SS*.SBendtrans-60.5-32.4172.7-169.548000111.1R115 L118R115-D120 HydrophobicContact CG-CB 3.49Å; R115-D120 VanDerWaalsContact CG-CB 3.49Å; R115-D120 WeakPolarHBondContact CG-OD2 3.23Å; R115-D120 IonicContact NE-OD2 3.06Å; R115-D120 PolarHBondContact NE-OD2 2.91Å; R115-D120 WeakPolarHBondContact O-CB 3.16Å; R115-D120 PolarHBondContact O-N 3.3Å; R115-D120 VanDerWaalsContact O-N 3.08Å; L118-D120 VanDerWaalsContact C-N 3.26Å; L118-D120 PolarHBondContact O-N 3.28Å
121D79Confident81.2Confident57 Ų5791.9 Ų91.931%0.30546%0.461SS..SBendtrans-132.1115.8168.5-174.8-59.3000110.2R115 V119 V123 D124 S125R115-D121 IonicContact NH2-OD2 3.48Å; V119-D121 PolarHBondContact O-N 3.47Å; D121-V123 VanDerWaalsContact C-N 3.28Å; D121-V123 PolarHBondContact O-N 3.17Å; D121-V123 WeakPolarHBondContact OD1-CA 3.34Å; D121-V123 WeakPolarHBondContact OD1-CB 3.43Å; D121-V123 PolarHBondContact OD1-N 3.45Å; D121-D124 HydrophobicContact CB-CB 4.04Å; D121-D124 PolarHBondContact O-N 3.32Å; D121-D124 PolarHBondContact OD1-N 3.34Å; D121-S125 WeakPolarHBondContact O-CB 3.36Å; D121-S125 PolarHBondContact O-N 2.99Å; D121-S125 PolarHBondContact O-OG 2.85Å
122L80.2Confident80.9Confident126 Ų12689 Ų8966%0.6645%0.451SS*.Hα-helixtrans-63.6-32.8-176-169.6142.3000112.7V119 L126V119-L122 HydrophobicContact CG1-CB 4.19Å; V119-L122 HydrophobicContact CG1-CG 4.41Å; L122-L126 VanDerWaalsContact O-CB 3.23Å; L122-L126 WeakPolarHBondContact O-CB 3.23Å; L122-L126 PolarHBondContact O-N 2.92Å
123V82.2Confident81Confident82 Ų8292.4 Ų92.450%0.49746%0.461SS..Hα-helixtrans-73.4-44.3179.9178.40000110.2D121 L126 K127D121-V123 VanDerWaalsContact C-N 3.28Å; D121-V123 PolarHBondContact O-N 3.17Å; D121-V123 WeakPolarHBondContact OD1-CA 3.34Å; D121-V123 WeakPolarHBondContact OD1-CB 3.43Å; D121-V123 PolarHBondContact OD1-N 3.45Å; V123-L126 PolarHBondContact O-N 2.91Å; V123-K127 HydrophobicContact CG1-CD 4.41Å; V123-K127 VanDerWaalsContact O-CG 3.31Å; V123-K127 WeakPolarHBondContact O-CG 3.43Å; V123-K127 PolarHBondContact O-N 3.01Å
124D76.9Confident81Confident49 Ų4992.3 Ų92.326%0.26246%0.463SS..Hα-helixtrans-66.5-43.5177.6-70.2-19.9000111.3R115 L116 D121 L126 K127 F128R115-D124 IonicContact CZ-OD2 3.83Å; R115-D124 IonicContact NH1-OD2 3.22Å; R115-D124 PolarHBondContact NH1-OD2 3.14Å; R115-D124 IonicContact NH2-OD2 3.95Å; R115-D124 PolarHBondContact NH2-OD2 3.16Å; L116-D124 VanDerWaalsContact CD2-C 3.49Å; L116-D124 HydrophobicContact CD2-CB 3.63Å; D121-D124 HydrophobicContact CB-CB 4.04Å; D121-D124 PolarHBondContact O-N 3.32Å; D121-D124 PolarHBondContact OD1-N 3.34Å; D124-L126 PolarHBondContact O-N 2.98Å; D124-K127 PolarHBondContact O-N 2.9Å; D124-K127 IonicContact OD1-NZ 3.8Å; D124-F128 WeakPolarHBondContact O-CB 3.21Å; D124-F128 PolarHBondContact O-N 3.45Å
125S80.3Confident80.9Confident14 Ų1491 Ų9110%0.09846%0.462CS..Hα-helixtrans-61.9-40.2175.2-650000112.6L116 V119 D121 F128 A129L116-S125 WeakPolarHBondContact O-CB 3.29Å; L116-S125 PolarHBondContact O-OG 3.17Å; V119-S125 WeakPolarHBondContact CA-OG 3.02Å; D121-S125 WeakPolarHBondContact O-CB 3.36Å; D121-S125 PolarHBondContact O-N 2.99Å; D121-S125 PolarHBondContact O-OG 2.85Å; S125-F128 PolarHBondContact O-N 2.91Å; S125-A129 WeakPolarHBondContact O-CB 3.46Å; S125-A129 PolarHBondContact O-N 2.85Å
126L82Confident80.6Confident109 Ų10991.9 Ų91.957%0.57148%0.475SS*.Hα-helixtrans-66.6-44176.2-17765000111.7L122 V123 D124 F128 A129 V130L122-L126 VanDerWaalsContact O-CB 3.23Å; L122-L126 WeakPolarHBondContact O-CB 3.23Å; L122-L126 PolarHBondContact O-N 2.92Å; V123-L126 PolarHBondContact O-N 2.91Å; D124-L126 PolarHBondContact O-N 2.98Å; L126-F128 VanDerWaalsContact C-N 3.3Å; L126-F128 PolarHBondContact O-N 3.49Å; L126-A129 PolarHBondContact O-N 3.35Å; L126-V130 WeakPolarHBondContact O-CG2 3.45Å; L126-V130 PolarHBondContact O-N 3.18Å
127K81.6Confident80.3Confident120 Ų12096.9 Ų96.952%0.52249%0.494SS..Hα-helixtrans-58.2-45173.7-73.2169.1-173.4162.20110.8V123 D124 V130 L131V123-K127 HydrophobicContact CG1-CD 4.41Å; V123-K127 VanDerWaalsContact O-CG 3.31Å; V123-K127 WeakPolarHBondContact O-CG 3.43Å; V123-K127 PolarHBondContact O-N 3.01Å; D124-K127 PolarHBondContact O-N 2.9Å; D124-K127 IonicContact OD1-NZ 3.8Å; K127-V130 PolarHBondContact O-N 2.95Å; K127-L131 WeakPolarHBondContact O-CB 3.1Å; K127-L131 VanDerWaalsContact O-CG 3.28Å; K127-L131 WeakPolarHBondContact O-CG 3.33Å; K127-L131 PolarHBondContact O-N 3.32Å
128F82.4Confident80.2Confident67 Ų6791.3 Ų91.329%0.29447%0.474SS..Hα-helixtrans-61.6-43176.7-178.1-105.2000111.8L113 L116 D124 S125 L126 V130 L131 M132L113-F128 HydrophobicContact CD2-CE1 4.2Å; L113-F128 HydrophobicContact CD2-CE2 3.89Å; L113-F128 HydrophobicContact CD2-CZ 3.44Å; L113-F128 VanDerWaalsContact CD2-CZ 3.44Å; L116-F128 HydrophobicContact CB-CD1 4.36Å; L116-F128 HydrophobicContact CB-CG 4.45Å; L116-F128 HydrophobicContact CD1-CB 4.06Å; L116-F128 HydrophobicContact CD1-CD1 4.4Å; L116-F128 HydrophobicContact CD1-CD2 3.78Å; L116-F128 HydrophobicContact CD1-CE2 4.33Å; L116-F128 HydrophobicContact CD1-CG 3.81Å; L116-F128 HydrophobicContact CD2-CB 4.15Å; D124-F128 WeakPolarHBondContact O-CB 3.21Å; D124-F128 PolarHBondContact O-N 3.45Å; S125-F128 PolarHBondContact O-N 2.91Å; L126-F128 VanDerWaalsContact C-N 3.3Å; L126-F128 PolarHBondContact O-N 3.49Å; F128-V130 PolarHBondContact O-N 2.85Å; F128-L131 PolarHBondContact O-N 2.73Å; F128-M132 HydrophobicContact CD1-CG 4.06Å; F128-M132 HydrophobicContact CD2-CG 4.34Å; F128-M132 HydrophobicContact CE1-CG 3.61Å; F128-M132 HydrophobicContact CE1-SD 4.47Å; F128-M132 HydrophobicContact CE2-CG 3.93Å; F128-M132 HydrophobicContact CE2-SD 4.18Å; F128-M132 HydrophobicContact CG-CG 4.4Å; F128-M132 HydrophobicContact CZ-CG 3.54Å; F128-M132 HydrophobicContact CZ-SD 3.86Å; F128-M132 WeakPolarHBondContact O-CB 3.29Å; F128-M132 VanDerWaalsContact O-CG 3.32Å; F128-M132 WeakPolarHBondContact O-CG 3.49Å; F128-M132 PolarHBondContact O-N 3.46Å
129A82.5Confident79.8Confident53 Ų5387 Ų8744%0.43846%0.46SS..Hα-helixtrans-61.6-43.617600000112.4S125 L126 M132 W133S125-A129 WeakPolarHBondContact O-CB 3.46Å; S125-A129 PolarHBondContact O-N 2.85Å; L126-A129 PolarHBondContact O-N 3.35Å; A129-M132 PolarHBondContact O-N 3.42Å; A129-W133 WeakPolarHBondContact O-CB 3.12Å; A129-W133 PolarHBondContact O-N 3.25Å
130V84.9Confident79.5Confident79 Ų7987.2 Ų87.248%0.47947%0.47SS..Hα-helixtrans-64.2-43.2175.6174.30000111.1L126 K127 F128 W133 V134L126-V130 WeakPolarHBondContact O-CG2 3.45Å; L126-V130 PolarHBondContact O-N 3.18Å; K127-V130 PolarHBondContact O-N 2.95Å; F128-V130 PolarHBondContact O-N 2.85Å; V130-W133 WeakPolarHBondContact O-CB 3.2Å; V130-W133 PolarHBondContact O-N 2.98Å; V130-V134 WeakPolarHBondContact O-CG2 3.43Å; V130-V134 PolarHBondContact O-N 3.38Å
131L84.1Confident78.9Confident118 Ų11887.8 Ų87.862%0.61847%0.473SS*.Hα-helixtrans-60.3-45.8174.6-73.8172.6000111.5K127 F128 W133 V134 F135K127-L131 WeakPolarHBondContact O-CB 3.1Å; K127-L131 VanDerWaalsContact O-CG 3.28Å; K127-L131 WeakPolarHBondContact O-CG 3.33Å; K127-L131 PolarHBondContact O-N 3.32Å; F128-L131 PolarHBondContact O-N 2.73Å; L131-W133 VanDerWaalsContact C-N 3.31Å; L131-W133 PolarHBondContact O-N 3.47Å; L131-V134 PolarHBondContact O-N 3.45Å; L131-F135 VanDerWaalsContact O-CB 3.29Å; L131-F135 WeakPolarHBondContact O-CB 3.22Å; L131-F135 PolarHBondContact O-N 2.81Å
132M82.8Confident78.5Confident84 Ų8488.4 Ų88.441%0.41447%0.473SS..Hα-helixtrans-64.9-34.1176.7-75.6-58.7-68.800112.4F128 A129 F135 T136F128-M132 HydrophobicContact CD1-CG 4.06Å; F128-M132 HydrophobicContact CD2-CG 4.34Å; F128-M132 HydrophobicContact CE1-CG 3.61Å; F128-M132 HydrophobicContact CE1-SD 4.47Å; F128-M132 HydrophobicContact CE2-CG 3.93Å; F128-M132 HydrophobicContact CE2-SD 4.18Å; F128-M132 HydrophobicContact CG-CG 4.4Å; F128-M132 HydrophobicContact CZ-CG 3.54Å; F128-M132 HydrophobicContact CZ-SD 3.86Å; F128-M132 WeakPolarHBondContact O-CB 3.29Å; F128-M132 VanDerWaalsContact O-CG 3.32Å; F128-M132 WeakPolarHBondContact O-CG 3.49Å; F128-M132 PolarHBondContact O-N 3.46Å; A129-M132 PolarHBondContact O-N 3.42Å; M132-F135 CarbonylContact O-C 3.56Å; M132-F135 PolarHBondContact O-N 2.96Å; M132-T136 WeakPolarHBondContact O-CB 3.35Å; M132-T136 PolarHBondContact O-N 3.48Å; M132-T136 PolarHBondContact O-OG1 3.19Å
133W83.6Confident78.2Confident152 Ų15286.7 Ų86.758%0.57647%0.465SS*.Hα-helixtrans-66.1-48.1174.8-178.769.9000111.3A129 V130 L131 F135 T136 Y137A129-W133 WeakPolarHBondContact O-CB 3.12Å; A129-W133 PolarHBondContact O-N 3.25Å; V130-W133 WeakPolarHBondContact O-CB 3.2Å; V130-W133 PolarHBondContact O-N 2.98Å; L131-W133 VanDerWaalsContact C-N 3.31Å; L131-W133 PolarHBondContact O-N 3.47Å; W133-F135 VanDerWaalsContact C-N 3.31Å; W133-F135 PolarHBondContact O-N 2.71Å; W133-T136 WeakPolarHBondContact O-CB 3.44Å; W133-T136 PolarHBondContact O-N 3.46Å; W133-T136 VanDerWaalsContact O-N 3.12Å; W133-Y137 AromaticContact CD1-CE2 3.96Å; W133-Y137 HydrophobicContact CD2-CD2 4.41Å; W133-Y137 AromaticContact CD2-CE2 3.67Å; W133-Y137 HydrophobicContact CD2-CE2 3.67Å; W133-Y137 AromaticContact CE2-CE2 3.3Å; W133-Y137 AromaticContact CE2-CZ 3.86Å; W133-Y137 HydrophobicContact CE3-CE2 4.17Å; W133-Y137 HydrophobicContact CG-CE2 4.13Å; W133-Y137 AromaticContact CH2-CE2 3.99Å; W133-Y137 HydrophobicContact CH2-CE2 3.99Å; W133-Y137 AromaticContact CZ2-CE2 3.48Å; W133-Y137 HydrophobicContact CZ2-CE2 3.48Å; W133-Y137 VanDerWaalsContact CZ2-CE2 3.48Å; W133-Y137 AromaticContact CZ2-CZ 3.79Å; W133-Y137 VanDerWaalsContact CZ2-OH 3.27Å; W133-Y137 WeakPolarHBondContact CZ2-OH 3.33Å; W133-Y137 HydrophobicContact CZ3-CE2 4.31Å; W133-Y137 AromaticContact NE1-CE2 3.46Å; W133-Y137 AromaticContact NE1-CZ 3.83Å; W133-Y137 PolarHBondContact NE1-OH 2.93Å; W133-Y137 WeakPolarHBondContact O-CD2 3.24Å; W133-Y137 PolarHBondContact O-N 2.82Å
134V80.4Confident77.8Confident74 Ų7485 Ų8545%0.44846%0.464SS..Hα-helixtrans-59.2-44.3172.1175.30000110.6V130 L131 T136 Y137 V138V130-V134 WeakPolarHBondContact O-CG2 3.43Å; V130-V134 PolarHBondContact O-N 3.38Å; L131-V134 PolarHBondContact O-N 3.45Å; V134-T136 PolarHBondContact O-N 2.78Å; V134-Y137 PolarHBondContact O-N 3.2Å; V134-Y137 VanDerWaalsContact O-N 3.12Å; V134-V138 HydrophobicContact CG1-CG2 4.47Å; V134-V138 WeakPolarHBondContact O-CG2 3.47Å; V134-V138 PolarHBondContact O-N 2.84Å
135F79.8Confident77.9Confident133 Ų13383.7 Ų83.758%0.58346%0.457SS*.Hα-helixtrans-61.6-33.1176.9-169-94000112.3L131 M132 W133 V138 G139L131-F135 VanDerWaalsContact O-CB 3.29Å; L131-F135 WeakPolarHBondContact O-CB 3.22Å; L131-F135 PolarHBondContact O-N 2.81Å; M132-F135 CarbonylContact O-C 3.56Å; M132-F135 PolarHBondContact O-N 2.96Å; W133-F135 VanDerWaalsContact C-N 3.31Å; W133-F135 PolarHBondContact O-N 2.71Å; F135-V138 PolarHBondContact O-N 3.25Å; F135-G139 PolarHBondContact O-N 2.91Å
136T78.9Confident77.9Confident88 Ų8885.5 Ų85.554%0.5447%0.467SS..Hα-helixtrans-64.3-41.7174.6-58.90000110.9M132 W133 V134 G139 A140M132-T136 WeakPolarHBondContact O-CB 3.35Å; M132-T136 PolarHBondContact O-N 3.48Å; M132-T136 PolarHBondContact O-OG1 3.19Å; W133-T136 WeakPolarHBondContact O-CB 3.44Å; W133-T136 PolarHBondContact O-N 3.46Å; W133-T136 VanDerWaalsContact O-N 3.12Å; V134-T136 PolarHBondContact O-N 2.78Å; T136-G139 PolarHBondContact O-N 2.82Å; T136-A140 VanDerWaalsContact O-CB 3.22Å; T136-A140 WeakPolarHBondContact O-CB 3.09Å; T136-A140 PolarHBondContact O-N 3.43Å
137Y75.2Confident77.9Confident126 Ų12684.2 Ų84.249%0.49446%0.46SS..Hα-helixtrans-65.5-44.1173.1-68.5-76.3000111.9W133 V134 G139 A140 L141W133-Y137 AromaticContact CD1-CE2 3.96Å; W133-Y137 HydrophobicContact CD2-CD2 4.41Å; W133-Y137 AromaticContact CD2-CE2 3.67Å; W133-Y137 HydrophobicContact CD2-CE2 3.67Å; W133-Y137 AromaticContact CE2-CE2 3.3Å; W133-Y137 AromaticContact CE2-CZ 3.86Å; W133-Y137 HydrophobicContact CE3-CE2 4.17Å; W133-Y137 HydrophobicContact CG-CE2 4.13Å; W133-Y137 AromaticContact CH2-CE2 3.99Å; W133-Y137 HydrophobicContact CH2-CE2 3.99Å; W133-Y137 AromaticContact CZ2-CE2 3.48Å; W133-Y137 HydrophobicContact CZ2-CE2 3.48Å; W133-Y137 VanDerWaalsContact CZ2-CE2 3.48Å; W133-Y137 AromaticContact CZ2-CZ 3.79Å; W133-Y137 VanDerWaalsContact CZ2-OH 3.27Å; W133-Y137 WeakPolarHBondContact CZ2-OH 3.33Å; W133-Y137 HydrophobicContact CZ3-CE2 4.31Å; W133-Y137 AromaticContact NE1-CE2 3.46Å; W133-Y137 AromaticContact NE1-CZ 3.83Å; W133-Y137 PolarHBondContact NE1-OH 2.93Å; W133-Y137 WeakPolarHBondContact O-CD2 3.24Å; W133-Y137 PolarHBondContact O-N 2.82Å; V134-Y137 PolarHBondContact O-N 3.2Å; V134-Y137 VanDerWaalsContact O-N 3.12Å; Y137-G139 VanDerWaalsContact C-N 3.34Å; Y137-G139 PolarHBondContact O-N 2.83Å; Y137-A140 PolarHBondContact O-N 3.4Å; Y137-L141 WeakPolarHBondContact O-CB 3.46Å; Y137-L141 WeakPolarHBondContact O-CG 2.86Å; Y137-L141 PolarHBondContact O-N 3.12Å
138V72.7Confident78Confident59 Ų5983 Ų8336%0.35846%0.459SS..Hα-helixtrans-59.3-47.7176.1176.70000110.1V134 F135 A140 L141 F142V134-V138 HydrophobicContact CG1-CG2 4.47Å; V134-V138 WeakPolarHBondContact O-CG2 3.47Å; V134-V138 PolarHBondContact O-N 2.84Å; F135-V138 PolarHBondContact O-N 3.25Å; V138-A140 VanDerWaalsContact C-N 3.33Å; V138-A140 PolarHBondContact O-N 3.38Å; V138-L141 PolarHBondContact O-N 3.34Å; V138-F142 HydrophobicContact CG1-CD2 3.78Å; V138-F142 HydrophobicContact CG1-CE2 4.04Å; V138-F142 WeakPolarHBondContact O-CD2 3.33Å; V138-F142 PolarHBondContact O-N 3.33Å
139G69.4Low78.2Confident39 Ų3980.9 Ų80.940%0.40245%0.45SS..Hα-helixtrans-64.8-33.4177.400000113.6F135 T136 Y137 F142F135-G139 PolarHBondContact O-N 2.91Å; T136-G139 PolarHBondContact O-N 2.82Å; Y137-G139 VanDerWaalsContact C-N 3.34Å; Y137-G139 PolarHBondContact O-N 2.83Å; G139-F142 CarbonylContact O-C 3.54Å
140A72.8Confident78.3Confident83 Ų8381.8 Ų81.869%0.68645%0.448SS*.Hα-helixtrans-70.8-34.4173.700000112.3T136 Y137 V138T136-A140 VanDerWaalsContact O-CB 3.22Å; T136-A140 WeakPolarHBondContact O-CB 3.09Å; T136-A140 PolarHBondContact O-N 3.43Å; Y137-A140 PolarHBondContact O-N 3.4Å; V138-A140 VanDerWaalsContact C-N 3.33Å; V138-A140 PolarHBondContact O-N 3.38Å
141L65.6Low78.4Confident132 Ų13280.7 Ų80.769%0.69145%0.447SS*.Hα-helixtrans-72.2-32.4175.5-69.7171.8000112.1Y137 V138Y137-L141 WeakPolarHBondContact O-CB 3.46Å; Y137-L141 WeakPolarHBondContact O-CG 2.86Å; Y137-L141 PolarHBondContact O-N 3.12Å; V138-L141 PolarHBondContact O-N 3.34Å
142F69.2Low78.6Confident69 Ų6976.2 Ų76.230%0.30342%0.423SS..  trans-122.3105.7-174.5-53.4-77.4000112V138 G139 G144 L147 L150V138-F142 HydrophobicContact CG1-CD2 3.78Å; V138-F142 HydrophobicContact CG1-CE2 4.04Å; V138-F142 WeakPolarHBondContact O-CD2 3.33Å; V138-F142 PolarHBondContact O-N 3.33Å; G139-F142 CarbonylContact O-C 3.54Å; F142-G144 PolarHBondContact O-N 3.39Å; F142-L147 HydrophobicContact CB-CD1 4.13Å; F142-L147 HydrophobicContact CB-CD2 3.42Å; F142-L147 VanDerWaalsContact CB-CD2 3.42Å; F142-L147 HydrophobicContact CB-CG 3.49Å; F142-L147 VanDerWaalsContact CB-CG 3.49Å; F142-L147 HydrophobicContact CD1-CD2 3.69Å; F142-L147 HydrophobicContact CD2-CD2 3.78Å; F142-L147 HydrophobicContact CE1-CD2 4.36Å; F142-L147 HydrophobicContact CE2-CD2 4.47Å; F142-L147 HydrophobicContact CG-CD2 3.37Å; F142-L147 HydrophobicContact CG-CG 4.06Å; F142-L150 HydrophobicContact CD1-CD1 3.83Å; F142-L150 HydrophobicContact CE1-CD1 3.6Å
143N75.4Confident78.8Confident91 Ų9175.1 Ų75.149%0.48742%0.419SS..  trans-52.2133.7157.5177.9-9000107.9L145 T146 L147N143-L145 CarbonylContact O-C 3.59Å; N143-L145 PolarHBondContact O-N 2.98Å; N143-L145 PolarHBondContact OD1-N 2.81Å; N143-T146 VanDerWaalsContact O-CA 3.29Å; N143-T146 WeakPolarHBondContact O-CA 3.43Å; N143-T146 WeakPolarHBondContact O-CB 3.39Å; N143-T146 PolarHBondContact O-N 3.12Å; N143-L147 PolarHBondContact O-N 3.24Å
144G73.9Confident78.9Confident46 Ų4670.2 Ų70.247%0.47441%0.407SS..Hα-helixtrans-53.3-30.9-176.200000113.1F142 L147 L148F142-G144 PolarHBondContact O-N 3.39Å; G144-L147 PolarHBondContact O-N 3.4Å; G144-L148 PolarHBondContact O-N 2.84Å; G144-L148 VanDerWaalsContact O-N 3.16Å
145L78.6Confident79.3Confident22 Ų2271.4 Ų71.412%0.11541%0.411CS..Hα-helixtrans-71.5-36.5172.1-69.1168.1000113.3L38 T39 N143 L147 L148 I149L38-L145 HydrophobicContact CB-CD1 3.86Å; L38-L145 HydrophobicContact CB-CD2 3.72Å; L38-L145 HydrophobicContact CB-CG 4.46Å; L38-L145 HydrophobicContact CD1-CD2 4.07Å; L38-L145 WeakPolarHBondContact O-CD1 3.3Å; T39-L145 HydrophobicContact CG2-CB 3.49Å; T39-L145 VanDerWaalsContact CG2-CB 3.49Å; T39-L145 HydrophobicContact CG2-CD1 4.14Å; T39-L145 HydrophobicContact CG2-CG 4.45Å; N143-L145 CarbonylContact O-C 3.59Å; N143-L145 PolarHBondContact O-N 2.98Å; N143-L145 PolarHBondContact OD1-N 2.81Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 3.37Å; L145-L148 HydrophobicContact CD2-CD1 4.3Å; L145-L148 PolarHBondContact O-N 2.72Å; L145-I149 WeakPolarHBondContact O-CG1 3.29Å; L145-I149 PolarHBondContact O-N 3.21Å
146T80.6Confident79.6Confident51 Ų5165.6 Ų65.631%0.31339%0.385SS..Hα-helixtrans-60.6-39.7170.8-55.90000111.2N143 L148 I149 L150N143-T146 VanDerWaalsContact O-CA 3.29Å; N143-T146 WeakPolarHBondContact O-CA 3.43Å; N143-T146 WeakPolarHBondContact O-CB 3.39Å; N143-T146 PolarHBondContact O-N 3.12Å; T146-L148 VanDerWaalsContact C-N 3.35Å; T146-I149 PolarHBondContact O-N 3.05Å; T146-L150 HydrophobicContact CG2-CD1 4.22Å; T146-L150 HydrophobicContact CG2-CG 4.4Å; T146-L150 WeakPolarHBondContact O-CB 3.15Å; T146-L150 WeakPolarHBondContact O-CG 3.35Å; T146-L150 PolarHBondContact O-N 2.71Å
147L82.2Confident79.8Confident82 Ų8263.3 Ų63.343%0.42937%0.373SS..Hα-helixtrans-61.1-43.8172.6-70.4179.1000111.7F142 N143 G144 L145 I149 L150 A151F142-L147 HydrophobicContact CB-CD1 4.13Å; F142-L147 HydrophobicContact CB-CD2 3.42Å; F142-L147 VanDerWaalsContact CB-CD2 3.42Å; F142-L147 HydrophobicContact CB-CG 3.49Å; F142-L147 VanDerWaalsContact CB-CG 3.49Å; F142-L147 HydrophobicContact CD1-CD2 3.69Å; F142-L147 HydrophobicContact CD2-CD2 3.78Å; F142-L147 HydrophobicContact CE1-CD2 4.36Å; F142-L147 HydrophobicContact CE2-CD2 4.47Å; F142-L147 HydrophobicContact CG-CD2 3.37Å; F142-L147 HydrophobicContact CG-CG 4.06Å; N143-L147 PolarHBondContact O-N 3.24Å; G144-L147 PolarHBondContact O-N 3.4Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 3.37Å; L147-I149 VanDerWaalsContact C-N 3.34Å; L147-I149 PolarHBondContact O-N 3.34Å; L147-L150 PolarHBondContact O-N 2.96Å; L147-A151 VanDerWaalsContact O-CB 3.23Å; L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 3.44Å
148L84Confident80.3Confident96 Ų9662.4 Ų62.450%0.50338%0.375SS..Hα-helixtrans-63.6-40177-71.5173.2000111.9L35 G144 L145 T146 A151 L152L35-L148 HydrophobicContact CD1-CB 4.22Å; L35-L148 HydrophobicContact CD2-CB 3.95Å; L35-L148 HydrophobicContact CD2-CD1 4.25Å; G144-L148 PolarHBondContact O-N 2.84Å; G144-L148 VanDerWaalsContact O-N 3.16Å; L145-L148 HydrophobicContact CD2-CD1 4.3Å; L145-L148 PolarHBondContact O-N 2.72Å; T146-L148 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 2.79Å; L148-L152 WeakPolarHBondContact O-CB 3.21Å; L148-L152 PolarHBondContact O-N 3.21Å
149I85.8Confident80.8Confident21 Ų2160.3 Ų60.311%0.10836%0.363CS..Hα-helixtrans-63.2-49.3174.7-69.1166.7000110.2L32 L35 L36 T39 L145 T146 L147 A151 L152 I153L32-I149 HydrophobicContact CD2-CG2 4.05Å; L35-I149 HydrophobicContact CB-CD1 4.23Å; L35-I149 HydrophobicContact CB-CG1 3.59Å; L35-I149 HydrophobicContact CD1-CG1 4.02Å; L35-I149 HydrophobicContact CG-CG1 4.42Å; L36-I149 HydrophobicContact CD2-CD1 3.85Å; L36-I149 HydrophobicContact CG-CD1 4.31Å; T39-I149 HydrophobicContact CG2-CD1 3.53Å; L145-I149 WeakPolarHBondContact O-CG1 3.29Å; L145-I149 PolarHBondContact O-N 3.21Å; T146-I149 PolarHBondContact O-N 3.05Å; L147-I149 VanDerWaalsContact C-N 3.34Å; L147-I149 PolarHBondContact O-N 3.34Å; I149-A151 VanDerWaalsContact C-N 3.32Å; I149-A151 PolarHBondContact O-N 3.49Å; I149-L152 PolarHBondContact O-N 3.49Å; I149-I153 HydrophobicContact CG2-CD1 3.67Å; I149-I153 HydrophobicContact CG2-CG1 4.32Å; I149-I153 WeakPolarHBondContact O-CB 3.34Å; I149-I153 VanDerWaalsContact O-CG1 3.26Å; I149-I153 WeakPolarHBondContact O-CG1 3.33Å; I149-I153 PolarHBondContact O-N 3.47Å
150L85Confident81.5Confident73 Ų7360.2 Ų60.238%0.38236%0.355SS..Hα-helixtrans-62.4-39.7178.3-73175.9000111.9F142 T146 L147 I153 S154F142-L150 HydrophobicContact CD1-CD1 3.83Å; F142-L150 HydrophobicContact CE1-CD1 3.6Å; T146-L150 HydrophobicContact CG2-CD1 4.22Å; T146-L150 HydrophobicContact CG2-CG 4.4Å; T146-L150 WeakPolarHBondContact O-CB 3.15Å; T146-L150 WeakPolarHBondContact O-CG 3.35Å; T146-L150 PolarHBondContact O-N 2.71Å; L147-L150 PolarHBondContact O-N 2.96Å; L150-I153 PolarHBondContact O-N 3.48Å; L150-S154 WeakPolarHBondContact O-CB 3.19Å; L150-S154 PolarHBondContact O-N 2.81Å; L150-S154 PolarHBondContact O-OG 3.37Å
151A86.6Confident82.1Confident55 Ų5560.6 Ų60.646%0.45534%0.344SS..Hα-helixtrans-64.6-43.2175.700000111.3L147 L148 I149 S154 L155L147-A151 VanDerWaalsContact O-CB 3.23Å; L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 3.44Å; L148-A151 PolarHBondContact O-N 2.79Å; I149-A151 VanDerWaalsContact C-N 3.32Å; I149-A151 PolarHBondContact O-N 3.49Å; A151-S154 PolarHBondContact O-N 3.29Å; A151-L155 WeakPolarHBondContact O-CB 3.36Å; A151-L155 PolarHBondContact O-N 2.7Å
152L87.5Confident83Confident24 Ų2457.9 Ų57.913%0.12633%0.325CS..Hα-helixtrans-64.1-47.3176.1-175.868.5000111.2F28 L32 L35 L148 I149 S154 L155 F156F28-L152 HydrophobicContact CD2-CG 4.25Å; F28-L152 HydrophobicContact CE2-CG 4.24Å; L32-L152 HydrophobicContact CD2-CD2 3.82Å; L32-L152 HydrophobicContact CG-CD2 3.85Å; L35-L152 HydrophobicContact CD1-CB 4.15Å; L35-L152 HydrophobicContact CD1-CD2 3.72Å; L148-L152 WeakPolarHBondContact O-CB 3.21Å; L148-L152 PolarHBondContact O-N 3.21Å; I149-L152 PolarHBondContact O-N 3.49Å; L152-S154 VanDerWaalsContact C-N 3.34Å; L152-S154 PolarHBondContact O-N 3.25Å; L152-L155 PolarHBondContact O-N 2.81Å; L152-F156 HydrophobicContact CD1-CD2 3.93Å; L152-F156 HydrophobicContact CD1-CE2 3.64Å; L152-F156 HydrophobicContact CG-CD2 4.4Å; L152-F156 WeakPolarHBondContact O-CD2 3.42Å; L152-F156 PolarHBondContact O-N 3.25Å; L152-F156 VanDerWaalsContact O-N 3.17Å
153I87.5Confident83.6Confident62 Ų6259.9 Ų59.932%0.31834%0.336SS..Hα-helixtrans-58.8-48.4175.6-67.5170.5000110F28 L32 I149 L150 L155 F156 S157F28-I153 HydrophobicContact CE2-CG1 4.45Å; F28-I153 HydrophobicContact CZ-CG1 4.2Å; L32-I153 HydrophobicContact CD2-CD1 4.37Å; L32-I153 HydrophobicContact CD2-CG1 3.94Å; I149-I153 HydrophobicContact CG2-CD1 3.67Å; I149-I153 HydrophobicContact CG2-CG1 4.32Å; I149-I153 WeakPolarHBondContact O-CB 3.34Å; I149-I153 VanDerWaalsContact O-CG1 3.26Å; I149-I153 WeakPolarHBondContact O-CG1 3.33Å; I149-I153 PolarHBondContact O-N 3.47Å; L150-I153 PolarHBondContact O-N 3.48Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 2.96Å; I153-F156 PolarHBondContact O-N 2.89Å; I153-S157 WeakPolarHBondContact O-CA 3.31Å; I153-S157 WeakPolarHBondContact O-CB 3.32Å; I153-S157 PolarHBondContact O-N 2.9Å; I153-S157 PolarHBondContact O-OG 3.27Å
154S86.3Confident84Confident49 Ų4965.3 Ų65.334%0.34335%0.349SS..Hα-helixtrans-61.9-42.2179.3-61.70000111.5L150 A151 L152 F156 S157 I158L150-S154 WeakPolarHBondContact O-CB 3.19Å; L150-S154 PolarHBondContact O-N 2.81Å; L150-S154 PolarHBondContact O-OG 3.37Å; A151-S154 PolarHBondContact O-N 3.29Å; L152-S154 VanDerWaalsContact C-N 3.34Å; L152-S154 PolarHBondContact O-N 3.25Å; S154-F156 VanDerWaalsContact C-N 3.33Å; S154-F156 PolarHBondContact O-N 3.46Å; S154-S157 PolarHBondContact O-N 3.3Å; S154-I158 WeakPolarHBondContact O-CB 3.17Å; S154-I158 WeakPolarHBondContact O-CG1 3.26Å; S154-I158 PolarHBondContact O-N 2.83Å
155L88.4Confident84.7Confident98 Ų9867.2 Ų67.251%0.51335%0.345SS..Hα-helixtrans-58-45.3179-179.161.7000111.2L16 A151 L152 I153 P159L16-L155 HydrophobicContact CD1-CD1 3.78Å; L16-L155 HydrophobicContact CD1-CG 3.63Å; L16-L155 WeakPolarHBondContact CD1-O 3.33Å; A151-L155 WeakPolarHBondContact O-CB 3.36Å; A151-L155 PolarHBondContact O-N 2.7Å; L152-L155 PolarHBondContact O-N 2.81Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 2.96Å; L155-P159 WeakPolarHBondContact O-CD 3.49Å; L155-P159 WeakPolarHBondContact O-CG 3.45Å
156F85.6Confident84.9Confident12 Ų1270.6 Ų70.65%0.05336%0.361CS..Hα-helixtrans-84.5-23.6178.6-77.2-87.9000114.5L15 L16 W18 T24 F28 L152 I153 S154L15-F156 HydrophobicContact CD2-CE1 4.28Å; L15-F156 HydrophobicContact CD2-CZ 4.25Å; L15-F156 HydrophobicContact CG-CE1 4.19Å; L16-F156 HydrophobicContact CD1-CD1 4.48Å; W18-F156 PolarHBondContact NE1-O 2.87Å; T24-F156 HydrophobicContact CG2-CD1 3.79Å; T24-F156 HydrophobicContact CG2-CE1 3.78Å; F28-F156 HydrophobicContact CB-CD1 4.48Å; F28-F156 HydrophobicContact CD2-CB 3.86Å; F28-F156 HydrophobicContact CD2-CD1 4.36Å; F28-F156 AromaticContact CD2-CD2 3.45Å; F28-F156 HydrophobicContact CD2-CD2 3.45Å; F28-F156 VanDerWaalsContact CD2-CD2 3.45Å; F28-F156 HydrophobicContact CD2-CE2 4.05Å; F28-F156 AromaticContact CD2-CG 3.62Å; F28-F156 HydrophobicContact CD2-CG 3.62Å; F28-F156 HydrophobicContact CE2-CB 3.87Å; F28-F156 AromaticContact CE2-CD2 3.99Å; F28-F156 HydrophobicContact CE2-CD2 3.99Å; F28-F156 HydrophobicContact CE2-CG 4.11Å; F28-F156 HydrophobicContact CG-CD2 4.42Å; F28-F156 HydrophobicContact CG-CG 4.33Å; L152-F156 HydrophobicContact CD1-CD2 3.93Å; L152-F156 HydrophobicContact CD1-CE2 3.64Å; L152-F156 HydrophobicContact CG-CD2 4.4Å; L152-F156 WeakPolarHBondContact O-CD2 3.42Å; L152-F156 PolarHBondContact O-N 3.25Å; L152-F156 VanDerWaalsContact O-N 3.17Å; I153-F156 PolarHBondContact O-N 2.89Å; S154-F156 VanDerWaalsContact C-N 3.33Å; S154-F156 PolarHBondContact O-N 3.46Å
157S84Confident85.2Confident39 Ų3972.2 Ų72.227%0.27338%0.379SS..Hα-helixtrans-92.5-40.3-175.5-54.30000112.5I153 S154 V160 I161I153-S157 WeakPolarHBondContact O-CA 3.31Å; I153-S157 WeakPolarHBondContact O-CB 3.32Å; I153-S157 PolarHBondContact O-N 2.9Å; I153-S157 PolarHBondContact O-OG 3.27Å; S154-S157 PolarHBondContact O-N 3.3Å; S157-V160 PolarHBondContact O-N 3.35Å; S157-I161 WeakPolarHBondContact O-CB 3.32Å; S157-I161 WeakPolarHBondContact O-CD1 3.28Å; S157-I161 WeakPolarHBondContact O-CG1 3.31Å; S157-I161 PolarHBondContact O-N 3.36Å
158I85.5Confident85.5Confident107 Ų10773.6 Ų73.655%0.54938%0.384SS..Hα-helixtrans-54.8-47.6-178.4-71.6169.9000111S154 V160 I161 Y162S154-I158 WeakPolarHBondContact O-CB 3.17Å; S154-I158 WeakPolarHBondContact O-CG1 3.26Å; S154-I158 PolarHBondContact O-N 2.83Å; I158-V160 PolarHBondContact O-N 2.81Å; I158-I161 PolarHBondContact O-N 3Å; I158-Y162 WeakPolarHBondContact O-CB 3.49Å; I158-Y162 PolarHBondContact O-N 2.81Å
159P82.9Confident85.7Confident16 Ų1671.3 Ų71.310%0.10437%0.371CS..Hα-helixtrans-66.5-39-177.1-2842.8000112.9L16 Y17 L155 Y162 E163L16-P159 HydrophobicContact CD2-CB 4.4Å; L16-P159 HydrophobicContact CD2-CG 3.69Å; L16-P159 HydrophobicContact CG-CB 4.32Å; L16-P159 HydrophobicContact CG-CG 3.77Å; Y17-P159 HydrophobicContact CD1-CB 4.36Å; Y17-P159 HydrophobicContact CE1-CB 4.17Å; Y17-P159 HydrophobicContact CE2-CB 4.4Å; L155-P159 WeakPolarHBondContact O-CD 3.49Å; L155-P159 WeakPolarHBondContact O-CG 3.45Å; P159-Y162 PolarHBondContact O-N 2.77Å; P159-E163 PolarHBondContact O-N 2.83Å
160V83.9Confident85.8Confident37 Ų3773.5 Ų73.522%0.22438%0.383CS..Hα-helixtrans-69.3-43.6177.1178.90000111.5W18 S157 I158 Y162 E163 R164W18-V160 HydrophobicContact CB-CG2 4.33Å; W18-V160 HydrophobicContact CG-CG2 4.04Å; S157-V160 PolarHBondContact O-N 3.35Å; I158-V160 PolarHBondContact O-N 2.81Å; V160-Y162 VanDerWaalsContact C-N 3.29Å; V160-E163 PolarHBondContact O-N 3.4Å; V160-R164 WeakPolarHBondContact O-CG 3.36Å; V160-R164 PolarHBondContact O-N 3.38Å; V160-R164 VanDerWaalsContact O-N 3.09Å
161I85.4Confident86Confident91 Ų9175.6 Ų75.647%0.46739%0.391SS..Hα-helixtrans-63.8-40.5175.4-67.7166.3000109.6S157 I158 R164 H165 I169S157-I161 WeakPolarHBondContact O-CB 3.32Å; S157-I161 WeakPolarHBondContact O-CD1 3.28Å; S157-I161 WeakPolarHBondContact O-CG1 3.31Å; S157-I161 PolarHBondContact O-N 3.36Å; I158-I161 PolarHBondContact O-N 3Å; I161-R164 PolarHBondContact O-N 2.87Å; I161-H165 WeakPolarHBondContact O-CB 3.33Å; I161-H165 PolarHBondContact O-N 3.5Å; I161-I169 HydrophobicContact CG2-CD1 4.23Å
162Y84.1Confident86.1Confident74 Ų7480.4 Ų80.429%0.2940%0.398SS..Hα-helixtrans-61.7-48.3176.6-172.9-99.8000111.5I158 P159 V160 R164 H165 Q166 I169 D170I158-Y162 WeakPolarHBondContact O-CB 3.49Å; I158-Y162 PolarHBondContact O-N 2.81Å; P159-Y162 PolarHBondContact O-N 2.77Å; V160-Y162 VanDerWaalsContact C-N 3.29Å; Y162-R164 VanDerWaalsContact C-N 3.3Å; Y162-R164 PolarHBondContact O-N 3.48Å; Y162-H165 CarbonylContact O-C 3.56Å; Y162-H165 PolarHBondContact O-N 3.16Å; Y162-Q166 HydrophobicContact CE1-CG 3.87Å; Y162-Q166 HydrophobicContact CE2-CG 4.38Å; Y162-Q166 WeakPolarHBondContact O-CA 3.27Å; Y162-Q166 WeakPolarHBondContact O-CB 3.32Å; Y162-Q166 PolarHBondContact O-N 3.42Å; Y162-I169 HydrophobicContact CD2-CB 4.37Å; Y162-I169 HydrophobicContact CD2-CD1 4.09Å; Y162-I169 HydrophobicContact CD2-CG2 3.96Å; Y162-I169 HydrophobicContact CE2-CB 4.46Å; Y162-I169 HydrophobicContact CE2-CG2 3.99Å; Y162-D170 WeakPolarHBondContact CE2-OD1 3.42Å; Y162-D170 PolarHBondContact OH-OD1 3.14Å; Y162-D170 PolarHBondContact OH-OD2 2.81Å
163E82.5Confident86.2Confident112 Ų11283.6 Ų83.652%0.52342%0.415SS..Hα-helixtrans-60.8-38.9177.7-169.9174.9-16600112.2P159 V160P159-E163 PolarHBondContact O-N 2.83Å; V160-E163 PolarHBondContact O-N 3.4Å
164R84.6Confident86.3Confident204 Ų20482.5 Ų82.577%0.7742%0.419SS*.Hα-helixtrans-76-32.4179.3-71.3-167.6-179.5-159.11.5114.5V160 I161 Y162V160-R164 WeakPolarHBondContact O-CG 3.36Å; V160-R164 PolarHBondContact O-N 3.38Å; V160-R164 VanDerWaalsContact O-N 3.09Å; I161-R164 PolarHBondContact O-N 2.87Å; Y162-R164 VanDerWaalsContact C-N 3.3Å; Y162-R164 PolarHBondContact O-N 3.48Å
165H87.3Confident86.5Confident86 Ų8684.2 Ų84.240%0.39842%0.424SS..Hα-helixtrans-119.222.2-173.1-64.7-79000112.9I161 Y162 A167 Q168 I169I161-H165 WeakPolarHBondContact O-CB 3.33Å; I161-H165 PolarHBondContact O-N 3.5Å; Y162-H165 CarbonylContact O-C 3.56Å; Y162-H165 PolarHBondContact O-N 3.16Å; H165-A167 VanDerWaalsContact C-N 3.33Å; H165-A167 PolarHBondContact O-N 3.45Å; H165-Q168 PolarHBondContact ND1-OE1 3Å; H165-Q168 PolarHBondContact O-N 3.46Å; H165-I169 HydrophobicContact CB-CD1 3.84Å; H165-I169 HydrophobicContact CB-CG1 4.17Å; H165-I169 WeakPolarHBondContact O-CG1 3.48Å; H165-I169 PolarHBondContact O-N 3.18Å
166Q83.4Confident86.7Confident94 Ų9481.9 Ų81.944%0.43942%0.419SS..Hα-helixtrans-50.7-51.6-170.7-171.3176.2-4.400112.2Y162 Q168 I169 D170Y162-Q166 HydrophobicContact CE1-CG 3.87Å; Y162-Q166 HydrophobicContact CE2-CG 4.38Å; Y162-Q166 WeakPolarHBondContact O-CA 3.27Å; Y162-Q166 WeakPolarHBondContact O-CB 3.32Å; Y162-Q166 PolarHBondContact O-N 3.42Å; Q166-Q168 VanDerWaalsContact C-N 3.3Å; Q166-Q168 PolarHBondContact O-N 2.81Å; Q166-I169 PolarHBondContact O-N 3.39Å; Q166-D170 WeakPolarHBondContact CG-OD2 3.16Å; Q166-D170 VanDerWaalsContact O-CB 3.31Å; Q166-D170 WeakPolarHBondContact O-CB 3.4Å; Q166-D170 PolarHBondContact O-N 3.41Å
167A86.9Confident87.1Confident84 Ų8485.8 Ų85.869%0.69444%0.44SS*.Hα-helixtrans-61-37.4-178.700000113.1H165 H171H165-A167 VanDerWaalsContact C-N 3.33Å; H165-A167 PolarHBondContact O-N 3.45Å; A167-H171 WeakPolarHBondContact O-CB 3.31Å; A167-H171 PolarHBondContact O-N 2.91Å; A167-H171 VanDerWaalsContact O-N 3.15Å
168Q87.8Confident87.4Confident112 Ų11290.3 Ų90.352%0.52346%0.455SS..Hα-helixtrans-72.6-47.3178.5-65.8177.5-41.800110.5H165 Q166 H171 Y172H165-Q168 PolarHBondContact ND1-OE1 3Å; H165-Q168 PolarHBondContact O-N 3.46Å; Q166-Q168 VanDerWaalsContact C-N 3.3Å; Q166-Q168 PolarHBondContact O-N 2.81Å; Q168-H171 PolarHBondContact O-N 3.48Å; Q168-Y172 HydrophobicContact CB-CE2 4.47Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.34Å; Q168-Y172 PolarHBondContact O-N 3.47Å
169I87.9Confident87.7Confident47 Ų4788.9 Ų88.924%0.24145%0.454CS..Hα-helixtrans-62.3-48.4-179.7-67.3164000110.4I161 Y162 H165 Q166 H171 Y172 L173I161-I169 HydrophobicContact CG2-CD1 4.23Å; Y162-I169 HydrophobicContact CD2-CB 4.37Å; Y162-I169 HydrophobicContact CD2-CD1 4.09Å; Y162-I169 HydrophobicContact CD2-CG2 3.96Å; Y162-I169 HydrophobicContact CE2-CB 4.46Å; Y162-I169 HydrophobicContact CE2-CG2 3.99Å; H165-I169 HydrophobicContact CB-CD1 3.84Å; H165-I169 HydrophobicContact CB-CG1 4.17Å; H165-I169 WeakPolarHBondContact O-CG1 3.48Å; H165-I169 PolarHBondContact O-N 3.18Å; Q166-I169 PolarHBondContact O-N 3.39Å; I169-H171 VanDerWaalsContact C-N 3.29Å; I169-H171 PolarHBondContact O-N 3.31Å; I169-Y172 PolarHBondContact O-N 2.88Å; I169-L173 HydrophobicContact CG2-CD1 3.62Å; I169-L173 HydrophobicContact CG2-CG 4.07Å; I169-L173 VanDerWaalsContact O-CB 3.31Å; I169-L173 WeakPolarHBondContact O-CB 3.34Å; I169-L173 VanDerWaalsContact O-CG 3.27Å; I169-L173 WeakPolarHBondContact O-CG 3.28Å; I169-L173 PolarHBondContact O-N 2.93Å
170D89.1Confident88.1Confident68 Ų6892.5 Ų92.536%0.36448%0.476SS..Hα-helixtrans-62.6-37.3178.9-72.6-13.8000111.5Y162 Q166 G174Y162-D170 WeakPolarHBondContact CE2-OD1 3.42Å; Y162-D170 PolarHBondContact OH-OD1 3.14Å; Y162-D170 PolarHBondContact OH-OD2 2.81Å; Q166-D170 WeakPolarHBondContact CG-OD2 3.16Å; Q166-D170 VanDerWaalsContact O-CB 3.31Å; Q166-D170 WeakPolarHBondContact O-CB 3.4Å; Q166-D170 PolarHBondContact O-N 3.41Å; D170-G174 PolarHBondContact O-N 2.83Å
171H89.8Confident88.5Confident117 Ų11797.7 Ų97.754%0.54250%0.496SS..Hα-helixtrans-63.1-49.3174.3-178.171.9000112.1A167 Q168 I169 G174 L175A167-H171 WeakPolarHBondContact O-CB 3.31Å; A167-H171 PolarHBondContact O-N 2.91Å; A167-H171 VanDerWaalsContact O-N 3.15Å; Q168-H171 PolarHBondContact O-N 3.48Å; I169-H171 VanDerWaalsContact C-N 3.29Å; I169-H171 PolarHBondContact O-N 3.31Å; H171-G174 PolarHBondContact O-N 2.94Å; H171-L175 WeakPolarHBondContact NE2-CD1 3.29Å; H171-L175 PolarHBondContact O-N 3.22Å
172Y88.8Confident88.8Confident156 Ų15697.3 Ų97.361%0.61249%0.494SS*.Hα-helixtrans-67.6-40.1179.1-73.8-63.5000112.7Q168 I169 G174 L175 A176Q168-Y172 HydrophobicContact CB-CE2 4.47Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.34Å; Q168-Y172 PolarHBondContact O-N 3.47Å; I169-Y172 PolarHBondContact O-N 2.88Å; Y172-G174 VanDerWaalsContact C-N 3.29Å; Y172-G174 PolarHBondContact O-N 3.49Å; Y172-L175 HydrophobicContact CD1-CD1 4.4Å; Y172-L175 PolarHBondContact O-N 2.86Å; Y172-A176 WeakPolarHBondContact O-CB 3.46Å; Y172-A176 PolarHBondContact O-N 2.82Å
173L88.2Confident89.1Confident90 Ų9096.1 Ų96.147%0.47150%0.5SS..Hα-helixtrans-62.7-38.9173-73.6176.3000111.2I169 A176 N177I169-L173 HydrophobicContact CG2-CD1 3.62Å; I169-L173 HydrophobicContact CG2-CG 4.07Å; I169-L173 VanDerWaalsContact O-CB 3.31Å; I169-L173 WeakPolarHBondContact O-CB 3.34Å; I169-L173 VanDerWaalsContact O-CG 3.27Å; I169-L173 WeakPolarHBondContact O-CG 3.28Å; I169-L173 PolarHBondContact O-N 2.93Å; L173-A176 PolarHBondContact O-N 3.43Å; L173-N177 VanDerWaalsContact O-CB 3.23Å; L173-N177 WeakPolarHBondContact O-CB 3.24Å; L173-N177 VanDerWaalsContact O-CG 3.3Å; L173-N177 PolarHBondContact O-N 3.38Å; L173-N177 PolarHBondContact O-ND2 3.34Å; L173-N177 VanDerWaalsContact O-ND2 3.17Å
174G89.9Confident89.4Confident39 Ų3996 Ų9640%0.40250%0.501SS..Hα-helixtrans-60.1-47.3173.600000112.3D170 H171 Y172 N177 K178D170-G174 PolarHBondContact O-N 2.83Å; H171-G174 PolarHBondContact O-N 2.94Å; Y172-G174 VanDerWaalsContact C-N 3.29Å; Y172-G174 PolarHBondContact O-N 3.49Å; G174-N177 PolarHBondContact O-N 2.92Å; G174-K178 WeakPolarHBondContact O-CB 3.42Å; G174-K178 PolarHBondContact O-N 2.84Å
175L91.6Very high89.6Confident85 Ų8588.7 Ų88.745%0.44548%0.484SS..Hα-helixtrans-62.8-43.4176.5-75.3168000112.6H171 Y172 K178 S179H171-L175 WeakPolarHBondContact NE2-CD1 3.29Å; H171-L175 PolarHBondContact O-N 3.22Å; Y172-L175 HydrophobicContact CD1-CD1 4.4Å; Y172-L175 PolarHBondContact O-N 2.86Å; L175-K178 PolarHBondContact O-N 3.09Å; L175-S179 WeakPolarHBondContact O-CB 3.37Å; L175-S179 PolarHBondContact O-N 3.45Å; L175-S179 PolarHBondContact O-OG 3.33Å
176A92.4Very high89.7Confident49 Ų4991.7 Ų91.741%0.40550%0.496SS..Hα-helixtrans-64.7-48.5177.300000111.2Y172 L173 K178 S179 V180Y172-A176 WeakPolarHBondContact O-CB 3.46Å; Y172-A176 PolarHBondContact O-N 2.82Å; L173-A176 PolarHBondContact O-N 3.43Å; A176-K178 VanDerWaalsContact C-N 3.29Å; A176-K178 PolarHBondContact O-N 3.33Å; A176-S179 WeakPolarHBondContact O-CB 3.29Å; A176-S179 PolarHBondContact O-N 2.83Å; A176-V180 WeakPolarHBondContact O-CG2 3.35Å; A176-V180 PolarHBondContact O-N 3.06Å
177N92.4Very high90Very high94 Ų9492 Ų9250%0.50350%0.499SS..Hα-helixtrans-60-39.4177-81.4-36.1000112.1L173 G174 K181L173-N177 VanDerWaalsContact O-CB 3.23Å; L173-N177 WeakPolarHBondContact O-CB 3.24Å; L173-N177 VanDerWaalsContact O-CG 3.3Å; L173-N177 PolarHBondContact O-N 3.38Å; L173-N177 PolarHBondContact O-ND2 3.34Å; L173-N177 VanDerWaalsContact O-ND2 3.17Å; G174-N177 PolarHBondContact O-N 2.92Å; N177-K181 WeakPolarHBondContact O-CB 3.41Å; N177-K181 VanDerWaalsContact O-CG 3.29Å; N177-K181 WeakPolarHBondContact O-CG 3.39Å; N177-K181 PolarHBondContact O-N 2.99Å
178K91.8Very high89.7Confident134 Ų13493.2 Ų93.258%0.58349%0.491SS*.Hα-helixtrans-64-48.2175.2-169.2177.7-179.2-178.10111G174 L175 A176 V180 K181 D182G174-K178 WeakPolarHBondContact O-CB 3.42Å; G174-K178 PolarHBondContact O-N 2.84Å; L175-K178 PolarHBondContact O-N 3.09Å; A176-K178 VanDerWaalsContact C-N 3.29Å; A176-K178 PolarHBondContact O-N 3.33Å; K178-V180 VanDerWaalsContact C-N 3.33Å; K178-V180 PolarHBondContact O-N 2.99Å; K178-K181 PolarHBondContact O-N 2.9Å; K178-D182 WeakPolarHBondContact O-CB 3.14Å; K178-D182 VanDerWaalsContact O-CG 3.23Å; K178-D182 PolarHBondContact O-N 3Å
179S91.4Very high89.5Confident77 Ų7791.7 Ų91.754%0.53850%0.497SS..Hα-helixtrans-58.8-42.1176.8-58.50000112.6L175 A176 A183L175-S179 WeakPolarHBondContact O-CB 3.37Å; L175-S179 PolarHBondContact O-N 3.45Å; L175-S179 PolarHBondContact O-OG 3.33Å; A176-S179 WeakPolarHBondContact O-CB 3.29Å; A176-S179 PolarHBondContact O-N 2.83Å; S179-A183 VanDerWaalsContact O-CB 3.3Å; S179-A183 WeakPolarHBondContact O-CB 3.46Å; S179-A183 PolarHBondContact O-N 3.45Å
180V91.5Very high89.1Confident93 Ų9397.9 Ų97.956%0.56452%0.522SS*.Hα-helixtrans-66.7-45.3176.91710000111.1A176 K178 A183 M184A176-V180 WeakPolarHBondContact O-CG2 3.35Å; A176-V180 PolarHBondContact O-N 3.06Å; K178-V180 VanDerWaalsContact C-N 3.33Å; K178-V180 PolarHBondContact O-N 2.99Å; V180-A183 PolarHBondContact O-N 2.93Å; V180-M184 VanDerWaalsContact O-CB 3.31Å; V180-M184 WeakPolarHBondContact O-CB 3.31Å; V180-M184 PolarHBondContact O-N 3.46Å
181K91Very high88.5Confident146 Ų14699 Ų9964%0.63553%0.527SS*.Hα-helixtrans-62.3-42.7176.3-77.3178.7179.4-177.90111.7N177 K178 M184 A185N177-K181 WeakPolarHBondContact O-CB 3.41Å; N177-K181 VanDerWaalsContact O-CG 3.29Å; N177-K181 WeakPolarHBondContact O-CG 3.39Å; N177-K181 PolarHBondContact O-N 2.99Å; K178-K181 PolarHBondContact O-N 2.9Å; K181-M184 PolarHBondContact O-N 3.36Å; K181-A185 VanDerWaalsContact O-CB 3.26Å; K181-A185 WeakPolarHBondContact O-CB 3.23Å; K181-A185 PolarHBondContact O-N 2.91Å
182D92.4Very high87Confident82 Ų8299.5 Ų99.544%0.43954%0.541SS..Hα-helixtrans-65.5-40.9177.5-70.8-15.6000111.2K178 A185 K186K178-D182 WeakPolarHBondContact O-CB 3.14Å; K178-D182 VanDerWaalsContact O-CG 3.23Å; K178-D182 PolarHBondContact O-N 3Å; D182-A185 PolarHBondContact O-N 3Å; D182-K186 VanDerWaalsContact O-CG 3.32Å; D182-K186 WeakPolarHBondContact O-CG 3.39Å; D182-K186 PolarHBondContact O-N 3.22Å
183A90.6Very high85.8Confident49 Ų4995 Ų9541%0.40554%0.542SS..Hα-helixtrans-64.3-45.817400000111.8S179 V180 A185 K186 I187S179-A183 VanDerWaalsContact O-CB 3.3Å; S179-A183 WeakPolarHBondContact O-CB 3.46Å; S179-A183 PolarHBondContact O-N 3.45Å; V180-A183 PolarHBondContact O-N 2.93Å; A183-A185 VanDerWaalsContact C-N 3.34Å; A183-A185 PolarHBondContact O-N 2.6Å; A183-K186 PolarHBondContact O-N 2.86Å; A183-I187 VanDerWaalsContact O-CG1 3.31Å; A183-I187 WeakPolarHBondContact O-CG1 3.26Å; A183-I187 PolarHBondContact O-N 3.45Å
184M89.6Confident84Confident111 Ų11197.8 Ų97.855%0.54756%0.557SS.*Hα-helixtrans-62.3-41.3176.7-170.8177.5-173.100111.4V180 K181 I187 Q188V180-M184 VanDerWaalsContact O-CB 3.31Å; V180-M184 WeakPolarHBondContact O-CB 3.31Å; V180-M184 PolarHBondContact O-N 3.46Å; K181-M184 PolarHBondContact O-N 3.36Å; M184-I187 PolarHBondContact O-N 2.83Å; M184-Q188 WeakPolarHBondContact O-CB 3.36Å; M184-Q188 WeakPolarHBondContact O-CG 3.18Å; M184-Q188 PolarHBondContact O-N 3.45Å
185A88Confident82.2Confident50 Ų50105.6 Ų105.641%0.41358%0.579SS.*Hα-helixtrans-63.9-40.6175.500000111.8K181 D182 A183 Q188 A189K181-A185 VanDerWaalsContact O-CB 3.26Å; K181-A185 WeakPolarHBondContact O-CB 3.23Å; K181-A185 PolarHBondContact O-N 2.91Å; D182-A185 PolarHBondContact O-N 3Å; A183-A185 VanDerWaalsContact C-N 3.34Å; A183-A185 PolarHBondContact O-N 2.6Å; A185-Q188 PolarHBondContact O-N 3.34Å; A185-A189 VanDerWaalsContact O-CB 3.31Å; A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 3.33Å
186K88.9Confident80Confident148 Ų148113 Ų11364%0.64360%0.601SS**Hα-helixtrans-64.4-41.2173.4-74.8175.5-174.8179.90112.1D182 A183 A189 K190D182-K186 VanDerWaalsContact O-CG 3.32Å; D182-K186 WeakPolarHBondContact O-CG 3.39Å; D182-K186 PolarHBondContact O-N 3.22Å; A183-K186 PolarHBondContact O-N 2.86Å; K186-A189 PolarHBondContact O-N 3.08Å; K186-K190 WeakPolarHBondContact O-CB 3.41Å; K186-K190 WeakPolarHBondContact O-CG 3.46Å; K186-K190 PolarHBondContact O-N 3.03Å
187I89.1Confident77.6Confident100 Ų100120.4 Ų120.451%0.51362%0.624SS.*Hα-helixtrans-64.3-46.5175.6-68.9167.1000109.9A183 M184 A189 K190 I191A183-I187 VanDerWaalsContact O-CG1 3.31Å; A183-I187 WeakPolarHBondContact O-CG1 3.26Å; A183-I187 PolarHBondContact O-N 3.45Å; M184-I187 PolarHBondContact O-N 2.83Å; I187-A189 VanDerWaalsContact C-N 3.32Å; I187-A189 PolarHBondContact O-N 3.38Å; I187-K190 CarbonylContact O-C 3.19Å; I187-K190 PolarHBondContact O-N 3.33Å; I187-K190 VanDerWaalsContact O-N 3.14Å; I187-I191 HydrophobicContact CG2-CD1 3.55Å; I187-I191 HydrophobicContact CG2-CG1 4.26Å; I187-I191 WeakPolarHBondContact O-CB 3.36Å; I187-I191 VanDerWaalsContact O-CG1 3.29Å; I187-I191 WeakPolarHBondContact O-CG1 3.33Å; I187-I191 PolarHBondContact O-N 3.35Å
188Q82.4Confident75.2Confident110 Ų110120.6 Ų120.651%0.51464%0.639SS.*Hα-helixtrans-62.4-35.9175.5-75.8-178.4-14.700112.8M184 A185 I191M184-Q188 WeakPolarHBondContact O-CB 3.36Å; M184-Q188 WeakPolarHBondContact O-CG 3.18Å; M184-Q188 PolarHBondContact O-N 3.45Å; A185-Q188 PolarHBondContact O-N 3.34Å; Q188-I191 CarbonylContact O-C 3.59Å
189A82.5Confident72.8Confident80 Ų80126.7 Ų126.766%0.66167%0.67SS**Hα-helixtrans-69.8-33.7174.400000112.3A185 K186 I187A185-A189 VanDerWaalsContact O-CB 3.31Å; A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 3.33Å; K186-A189 PolarHBondContact O-N 3.08Å; I187-A189 VanDerWaalsContact C-N 3.32Å; I187-A189 PolarHBondContact O-N 3.38Å
190K80Confident71.9Confident178 Ų178129.2 Ų129.277%0.77468%0.676SS**Hα-helixtrans-81.1-19.9176.3-75.7-168.9177.6-151.60114K186 I187 P192K186-K190 WeakPolarHBondContact O-CB 3.41Å; K186-K190 WeakPolarHBondContact O-CG 3.46Å; K186-K190 PolarHBondContact O-N 3.03Å; I187-K190 CarbonylContact O-C 3.19Å; I187-K190 PolarHBondContact O-N 3.33Å; I187-K190 VanDerWaalsContact O-N 3.14Å; K190-P192 WeakPolarHBondContact O-CD 3.36Å
191I75.9Confident70.8Confident90 Ų90131.1 Ų131.146%0.46268%0.682SS.*SBendtrans-95.988171.4-61.4173.6000106.7I187 Q188 G193I187-I191 HydrophobicContact CG2-CD1 3.55Å; I187-I191 HydrophobicContact CG2-CG1 4.26Å; I187-I191 WeakPolarHBondContact O-CB 3.36Å; I187-I191 VanDerWaalsContact O-CG1 3.29Å; I187-I191 WeakPolarHBondContact O-CG1 3.33Å; I187-I191 PolarHBondContact O-N 3.35Å; Q188-I191 CarbonylContact O-C 3.59Å; I191-G193 PolarHBondContact O-N 3.27Å
192P59.4Low69.7Low128 Ų128130.2 Ų130.283%0.83169%0.685SS**THydrogen-bonded Turntrans-78.125.5-164-6.627.6000113.2K190K190-P192 WeakPolarHBondContact O-CD 3.36Å
193G62.6Low68.4Low61 Ų61133.1 Ų133.163%0.62970%0.699SS**THydrogen-bonded Turntrans-121.9-8.1-166.600000116.7I191I191-G193 PolarHBondContact O-N 3.27Å
194L51.6Low67Low150 Ų150138.3 Ų138.379%0.78572%0.718SS**SBendtrans-102.1-0.5-177.2-89.3158.9000114.9
195K52Low65.5Low202 Ų202140.1 Ų140.188%0.87873%0.729SS**SBendtrans-93.98.6175.2-83.6-151.5178.2-169.40115.4
196R44.4Very low63.9Low240 Ų240146.6 Ų146.691%0.90675%0.752SS**  trans-101.785.2169.6-90.9-168.7168.8162.1-2.1111.2
197K42.7Very low61.9Low205 Ų205146.5 Ų146.589%0.89176%0.76SS**  trans-171.176.1139.5-103.8-175.4-176.4-164.70107.8
198A41Very low59.7Low98 Ų98150.3 Ų150.381%0.8178%0.78SS**  trans-132.367.3160.400000106
199E41.5Very low57.6Low262 Ų262154 Ų154100%1.22481%0.805SS**  trans-163.80156.7-103.2173.5172.300107

Retrieved 199 of 199 residues in 217.1 ms (Link to these results)

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