A0A096LPV9_POEFO Loading...

Methyltransferase like 25

AlphaFold DB , UniProt , Accession A0A096LPV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 392 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
1T36.8Very low68.2Low195 Ų195100.8 Ų100.8100%1.19650%0.497SS*.  095.7029.60000109.4K3T1-K3 PolarHBondContact O-N 3.38Å
2K36.4Very low70.6Confident209 Ų20992.4 Ų92.491%0.90946%0.456SS*.  trans-69.3102.6168.8-77.6178.7-179.8171.10106.3L4K2-L4 PolarHBondContact O-N 3.44Å
3K39.9Very low72.5Confident196 Ų19687.2 Ų87.285%0.85244%0.44SS*.  trans-56.6112.2165.8-149.6179-175.5-171.30104.9T1 I5T1-K3 PolarHBondContact O-N 3.38Å; K3-I5 PolarHBondContact O-N 3.19Å
4L46.9Very low74.1Confident152 Ų15282 Ų8280%0.79642%0.416SS*.  trans-55.7118.6169.2-115.688.3000104.8K2 E6K2-L4 PolarHBondContact O-N 3.44Å; L4-E6 VanDerWaalsContact C-N 3.31Å; L4-E6 PolarHBondContact O-N 3.42Å
5I52.9Low75.3Confident108 Ų10877.5 Ų77.555%0.55440%0.398SS*.  trans-70100173.1-59.8172.7000104.5K3 F7K3-I5 PolarHBondContact O-N 3.19Å; I5-F7 HydrophobicContact CB-CE2 4.02Å; I5-F7 HydrophobicContact CB-CZ 4.14Å; I5-F7 HydrophobicContact CG2-CD1 4.16Å; I5-F7 HydrophobicContact CG2-CD2 4.15Å; I5-F7 HydrophobicContact CG2-CE1 3.76Å; I5-F7 HydrophobicContact CG2-CE2 3.73Å; I5-F7 HydrophobicContact CG2-CG 4.35Å; I5-F7 HydrophobicContact CG2-CZ 3.52Å; I5-F7 WeakPolarHBondContact O-CD2 3.45Å; I5-F7 PolarHBondContact O-N 2.93Å
6E70.7Confident76.3Confident164 Ų16479.3 Ų79.377%0.76640%0.402SS*.  trans-73108.3170.1-77.2-178166.100107.1L4L4-E6 VanDerWaalsContact C-N 3.31Å; L4-E6 PolarHBondContact O-N 3.42Å
7F83.1Confident77.2Confident65 Ų6574.6 Ų74.629%0.28538%0.378SS..  trans-84137.2173.6-65.3-84000109.4I5 E196 V198I5-F7 HydrophobicContact CB-CE2 4.02Å; I5-F7 HydrophobicContact CB-CZ 4.14Å; I5-F7 HydrophobicContact CG2-CD1 4.16Å; I5-F7 HydrophobicContact CG2-CD2 4.15Å; I5-F7 HydrophobicContact CG2-CE1 3.76Å; I5-F7 HydrophobicContact CG2-CE2 3.73Å; I5-F7 HydrophobicContact CG2-CG 4.35Å; I5-F7 HydrophobicContact CG2-CZ 3.52Å; I5-F7 WeakPolarHBondContact O-CD2 3.45Å; I5-F7 PolarHBondContact O-N 2.93Å; F7-E196 WeakPolarHBondContact CA-O 3.36Å; F7-E196 HydrophobicContact CD1-CB 4.33Å; F7-E196 HydrophobicContact CD1-CG 3.92Å; F7-E196 HydrophobicContact CE1-CB 4.49Å; F7-E196 HydrophobicContact CE1-CG 3.75Å; F7-V198 HydrophobicContact CB-CG2 4.08Å; F7-V198 HydrophobicContact CD1-CG2 4.42Å; F7-V198 HydrophobicContact CG-CG2 4.26Å
8Q93.6Very high78Confident6 Ų675.8 Ų75.83%0.02838%0.378CS..EExtended strand (participates in β ladder)trans-71.9152.8164.2-67.8177.2-21.800109.9Q30 F32 E193 E196 A197 V198Q8-Q30 HydrophobicContact CG-CB 4.48Å; Q8-F32 HydrophobicContact CB-CE2 4.39Å; Q8-F32 HydrophobicContact CG-CE2 4.26Å; Q8-E193 PolarHBondContact NE2-O 2.94Å; Q8-E196 PolarHBondContact N-O 3.44Å; Q8-E196 VanDerWaalsContact N-O 3.12Å; Q8-A197 HydrophobicContact CB-CB 4.04Å; Q8-A197 CarbonylContact O-C 3.59Å; Q8-A197 WeakPolarHBondContact O-CA 3.49Å; Q8-V198 PolarHBondContact O-N 3.16Å
9V95.4Very high78.7Confident10 Ų1074.5 Ų74.56%0.06137%0.372CS..EExtended strand (participates in β ladder)trans-114.5129.5174.8-179.50000109.4L23 L29 Q30 V31 F32 V198 V200V9-L23 HydrophobicContact CG1-CD1 4.04Å; V9-L29 HydrophobicContact CG2-CB 4.22Å; V9-L29 HydrophobicContact CG2-CD1 4Å; V9-Q30 PolarHBondContact N-O 3.18Å; V9-V31 HydrophobicContact CB-CB 4.37Å; V9-V31 HydrophobicContact CB-CG1 4.06Å; V9-V31 HydrophobicContact CB-CG2 4.07Å; V9-V31 HydrophobicContact CG1-CG1 4.02Å; V9-V31 CarbonylContact O-C 3.55Å; V9-V31 VanDerWaalsContact O-CA 3.32Å; V9-V31 WeakPolarHBondContact O-CA 3.24Å; V9-F32 PolarHBondContact O-N 3.48Å; V9-V198 CarbonylContact C-O 3.55Å; V9-V198 WeakPolarHBondContact CA-O 3.44Å; V9-V200 HydrophobicContact CG1-CB 4.46Å; V9-V200 HydrophobicContact CG1-CG1 4.02Å; V9-V200 HydrophobicContact CG1-CG2 3.58Å
10I97Very high79.4Confident0 Ų070.8 Ų70.80%035%0.354CS..EExtended strand (participates in β ladder)trans-112.5108.7174.1-56.6175.4000108.1V12 F32 I34 L187 I191 L194 A197 V198 M199 V200 L222I10-V12 HydrophobicContact CG2-CG1 4.08Å; I10-F32 CarbonylContact C-O 3.48Å; I10-F32 WeakPolarHBondContact CA-O 3.46Å; I10-I34 HydrophobicContact CG2-CD1 3.84Å; I10-I34 HydrophobicContact CG2-CG1 4.47Å; I10-L187 HydrophobicContact CD1-CD1 3.8Å; I10-L187 HydrophobicContact CD1-CD2 4.3Å; I10-L187 HydrophobicContact CG2-CD2 4.44Å; I10-I191 HydrophobicContact CD1-CD1 4Å; I10-I191 HydrophobicContact CG1-CD1 4.05Å; I10-L194 HydrophobicContact CD1-CD1 3.75Å; I10-A197 HydrophobicContact CD1-CB 3.92Å; I10-A197 HydrophobicContact CG1-CB 4.14Å; I10-V198 PolarHBondContact N-O 3.17Å; I10-M199 CarbonylContact O-C 3.49Å; I10-M199 WeakPolarHBondContact O-CA 3.49Å; I10-V200 PolarHBondContact O-N 2.84Å; I10-L222 HydrophobicContact CD1-CD2 4.15Å
11D97.2Very high79.9Confident4 Ų467.6 Ų67.62%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-94.9101.3179.3-175.112.4000109.8S20 V31 F32 G33 I34 V200D11-S20 PolarHBondContact OD2-N 3.04Å; D11-S20 PolarHBondContact OD2-OG 3.06Å; D11-V31 HydrophobicContact CB-CG1 4.28Å; D11-F32 PolarHBondContact N-O 3.11Å; D11-G33 CarbonylContact O-C 3.31Å; D11-G33 WeakPolarHBondContact O-CA 3.31Å; D11-I34 PolarHBondContact O-N 3.46Å; D11-V200 CarbonylContact C-O 3.59Å; D11-V200 WeakPolarHBondContact CA-O 3.45Å; D11-V200 HydrophobicContact CB-CG2 3.71Å
12V96.8Very high82.4Confident0 Ų060 Ų600%029%0.289CS..EExtended strand (participates in β ladder)trans-88.9131.8-178.3-66.80000111.1I10 S14 V181 M199 V200 T204 T212I10-V12 HydrophobicContact CG2-CG1 4.08Å; V12-S14 VanDerWaalsContact C-N 3.32Å; V12-V181 HydrophobicContact CG1-CG1 4.4Å; V12-M199 HydrophobicContact CG1-CE 4.27Å; V12-M199 HydrophobicContact CG1-CG 4.3Å; V12-M199 HydrophobicContact CG1-SD 4.33Å; V12-M199 HydrophobicContact CG2-CG 4.17Å; V12-M199 HydrophobicContact CG2-SD 4.43Å; V12-V200 WeakPolarHBondContact CG2-O 3.39Å; V12-V200 PolarHBondContact N-O 2.86Å; V12-T204 HydrophobicContact CG2-CG2 4.15Å; V12-T212 HydrophobicContact CG2-CG2 4.18Å; V12-T212 WeakPolarHBondContact CG2-OG1 3.49Å
13G95.5Very high84.9Confident25 Ų2551.5 Ų51.526%0.25825%0.253SS..THydrogen-bonded Turntrans68.536.8-169.700000111.5G15 I34G13-G15 PolarHBondContact O-N 3.45Å; G13-G15 VanDerWaalsContact O-N 3.09Å; G13-I34 WeakPolarHBondContact CA-O 3.3Å; G13-I34 PolarHBondContact N-O 2.9Å
14S94.6Very high87.2Confident14 Ų1442.4 Ų42.410%0.09821%0.214CC..  trans-60.6-20.4-175.2620000113.3V12 K16 G17 G33 I34V12-S14 VanDerWaalsContact C-N 3.32Å; S14-K16 PolarHBondContact O-N 3.02Å; S14-K16 VanDerWaalsContact O-N 3.1Å; S14-G17 PolarHBondContact O-N 3.13Å; S14-G33 VanDerWaalsContact OG-C 3.27Å; S14-I34 PolarHBondContact N-O 3.46Å; S14-I34 PolarHBondContact OG-N 2.89Å; S14-I34 PolarHBondContact OG-O 2.8Å
15G93.1Very high88.9Confident14 Ų1437.8 Ų37.814%0.14419%0.19CC..THydrogen-bonded Turntrans52.8-117.9-178.300000111G13 G17 D35 N40G13-G15 PolarHBondContact O-N 3.45Å; G13-G15 VanDerWaalsContact O-N 3.09Å; G15-G17 PolarHBondContact O-N 3.1Å; G15-D35 WeakPolarHBondContact CA-OD2 3.26Å; G15-D35 PolarHBondContact N-OD2 3.25Å; G15-N40 WeakPolarHBondContact O-CB 3.46Å
16K91.3Very high90.3Very high107 Ų10736.2 Ų36.247%0.46518%0.18SC..THydrogen-bonded Turntrans-73.8-3.8179.6-74.5178.8-177.9178.10113.7S14 Y18 A44 R47S14-K16 PolarHBondContact O-N 3.02Å; S14-K16 VanDerWaalsContact O-N 3.1Å; K16-Y18 HydrophobicContact CB-CD2 3.64Å; K16-Y18 HydrophobicContact CB-CE2 3.38Å; K16-Y18 HydrophobicContact CD-CE2 3.7Å; K16-Y18 HydrophobicContact CG-CE2 4.18Å; K16-Y18 PolarHBondContact O-N 2.87Å; K16-A44 WeakPolarHBondContact O-CB 3.23Å; K16-R47 VanDerWaalsContact C-NH2 3.34Å; K16-R47 VanDerWaalsContact O-CZ 3.32Å; K16-R47 PolarHBondContact O-NE 2.7Å; K16-R47 PolarHBondContact O-NH2 3.44Å
17G91.2Very high90.9Very high0 Ų035.2 Ų35.20%017%0.17CC..  trans71.826.2174.600000114.4S14 G15 S21S14-G17 PolarHBondContact O-N 3.13Å; G15-G17 PolarHBondContact O-N 3.1Å; G17-S21 VanDerWaalsContact O-CB 3.27Å; G17-S21 WeakPolarHBondContact O-CB 3.4Å; G17-S21 PolarHBondContact O-N 3.27Å; G17-S21 PolarHBondContact O-OG 2.85Å
18Y91.4Very high90.9Very high96 Ų9634.7 Ų34.738%0.37618%0.183SC..Hα-helixtrans-66-49.2178-70.5-75.4000111.7K16 S20 S21 F22 L129K16-Y18 HydrophobicContact CB-CD2 3.64Å; K16-Y18 HydrophobicContact CB-CE2 3.38Å; K16-Y18 HydrophobicContact CD-CE2 3.7Å; K16-Y18 HydrophobicContact CG-CE2 4.18Å; K16-Y18 PolarHBondContact O-N 2.87Å; Y18-S20 VanDerWaalsContact C-N 3.34Å; Y18-S21 PolarHBondContact O-N 2.97Å; Y18-F22 WeakPolarHBondContact O-CB 3.32Å; Y18-F22 PolarHBondContact O-N 3.19Å; Y18-L129 HydrophobicContact CD1-CD1 4.2Å
19L91.5Very high90.6Very high51 Ų5137.2 Ų37.227%0.26720%0.196SC..Hα-helixtrans-59.5-48.5175175.763000110.2S21 F22 L23 V200 L202L19-S21 VanDerWaalsContact C-N 3.33Å; L19-S21 PolarHBondContact O-N 3.03Å; L19-F22 WeakPolarHBondContact O-CB 3.31Å; L19-F22 PolarHBondContact O-N 2.96Å; L19-L23 HydrophobicContact CD1-CD1 3.88Å; L19-L23 HydrophobicContact CD1-CD2 4.44Å; L19-L23 HydrophobicContact CD1-CG 3.92Å; L19-L23 HydrophobicContact CD2-CD1 4.49Å; L19-L23 HydrophobicContact CG-CD1 3.87Å; L19-L23 HydrophobicContact CG-CG 4.29Å; L19-L23 WeakPolarHBondContact O-CG 3.28Å; L19-L23 PolarHBondContact O-N 3.4Å; L19-V200 HydrophobicContact CD2-CG2 4.16Å; L19-L202 HydrophobicContact CD2-CB 4.18Å
20S93.3Very high90.4Very high0 Ų040.3 Ų40.30%021%0.21CC..Hα-helixtrans-59.9-43.3-178.8-21.40000112.2D11 Y18 S24 F174D11-S20 PolarHBondContact OD2-N 3.04Å; D11-S20 PolarHBondContact OD2-OG 3.06Å; Y18-S20 VanDerWaalsContact C-N 3.34Å; S20-S24 WeakPolarHBondContact O-CB 3.46Å; S20-S24 PolarHBondContact O-N 3.04Å; S20-F174 VanDerWaalsContact CB-CD2 3.43Å
21S90.2Very high90.3Very high3 Ų340.3 Ų40.32%0.02121%0.21CC..Hα-helixtrans-66.1-40.1176.5-57.50000112G17 Y18 L19 L25G17-S21 VanDerWaalsContact O-CB 3.27Å; G17-S21 WeakPolarHBondContact O-CB 3.4Å; G17-S21 PolarHBondContact O-N 3.27Å; G17-S21 PolarHBondContact O-OG 2.85Å; Y18-S21 PolarHBondContact O-N 2.97Å; L19-S21 VanDerWaalsContact C-N 3.33Å; L19-S21 PolarHBondContact O-N 3.03Å; S21-L25 VanDerWaalsContact O-CB 3.31Å; S21-L25 WeakPolarHBondContact O-CB 3.39Å; S21-L25 WeakPolarHBondContact O-CG 3.19Å; S21-L25 PolarHBondContact O-N 2.99Å
22F88.4Confident90.2Very high37 Ų3740.2 Ų40.216%0.16221%0.21CC..Hα-helixtrans-62.9-51.3176.3175.7-112.6000111.6Y18 L19 S24 L25 Q26 Y27 F125Y18-F22 WeakPolarHBondContact O-CB 3.32Å; Y18-F22 PolarHBondContact O-N 3.19Å; L19-F22 WeakPolarHBondContact O-CB 3.31Å; L19-F22 PolarHBondContact O-N 2.96Å; F22-S24 VanDerWaalsContact C-N 3.28Å; F22-S24 PolarHBondContact O-N 2.99Å; F22-L25 PolarHBondContact O-N 2.96Å; F22-Q26 HydrophobicContact CD2-CB 4.04Å; F22-Q26 HydrophobicContact CE2-CB 3.88Å; F22-Q26 HydrophobicContact CE2-CG 3.93Å; F22-Q26 HydrophobicContact CZ-CB 4.31Å; F22-Q26 HydrophobicContact CZ-CG 4.12Å; F22-Q26 WeakPolarHBondContact O-CB 3.35Å; F22-Q26 PolarHBondContact O-N 3.27Å; F22-Y27 HydrophobicContact CD1-CE2 4.34Å; F22-Y27 AromaticContact CE1-CE2 3.7Å; F22-Y27 HydrophobicContact CE1-CE2 3.7Å; F22-Y27 AromaticContact CZ-CE2 3.99Å; F22-Y27 HydrophobicContact CZ-CE2 3.99Å; F22-F125 HydrophobicContact CB-CD1 4.48Å; F22-F125 HydrophobicContact CB-CE1 3.8Å; F22-F125 AromaticContact CD2-CD1 3.38Å; F22-F125 HydrophobicContact CD2-CD1 3.38Å; F22-F125 AromaticContact CD2-CE1 3.49Å; F22-F125 HydrophobicContact CD2-CE1 3.49Å; F22-F125 VanDerWaalsContact CD2-CE1 3.49Å; F22-F125 HydrophobicContact CD2-CG 4.25Å; F22-F125 HydrophobicContact CD2-CZ 4.46Å; F22-F125 HydrophobicContact CE2-CD1 4.04Å; F22-F125 HydrophobicContact CG-CD1 4.37Å; F22-F125 HydrophobicContact CG-CE1 4.13Å
23L88.9Confident90.2Very high29 Ų2940.2 Ų40.215%0.15221%0.21CC..Hα-helixtrans-58.9-42.5179.1-70177.5000111.6V9 L19 Y27 V31 V200V9-L23 HydrophobicContact CG1-CD1 4.04Å; L19-L23 HydrophobicContact CD1-CD1 3.88Å; L19-L23 HydrophobicContact CD1-CD2 4.44Å; L19-L23 HydrophobicContact CD1-CG 3.92Å; L19-L23 HydrophobicContact CD2-CD1 4.49Å; L19-L23 HydrophobicContact CG-CD1 3.87Å; L19-L23 HydrophobicContact CG-CG 4.29Å; L19-L23 WeakPolarHBondContact O-CG 3.28Å; L19-L23 PolarHBondContact O-N 3.4Å; L23-Y27 HydrophobicContact CD2-CD2 4.19Å; L23-Y27 HydrophobicContact CD2-CE2 4.36Å; L23-Y27 WeakPolarHBondContact O-CB 3.16Å; L23-Y27 PolarHBondContact O-N 2.91Å; L23-V31 HydrophobicContact CB-CG2 3.86Å; L23-V200 HydrophobicContact CD1-CG2 4.42Å
24S88.4Confident90.3Very high5 Ų539 Ų394%0.03520%0.197CC..Hα-helixtrans-64.2-48.6177.1167.50000113S20 F22 G28 L29 V173 F174S20-S24 WeakPolarHBondContact O-CB 3.46Å; S20-S24 PolarHBondContact O-N 3.04Å; F22-S24 VanDerWaalsContact C-N 3.28Å; F22-S24 PolarHBondContact O-N 2.99Å; S24-G28 WeakPolarHBondContact O-CA 3.49Å; S24-G28 PolarHBondContact O-N 3.15Å; S24-L29 WeakPolarHBondContact CA-O 3.48Å; S24-V173 WeakPolarHBondContact O-CG1 3.43Å; S24-V173 WeakPolarHBondContact OG-CB 3.4Å; S24-V173 WeakPolarHBondContact OG-CG1 3.45Å; S24-V173 PolarHBondContact OG-O 3.3Å; S24-F174 PolarHBondContact OG-N 3.03Å
25L82.6Confident90.3Very high56 Ų5639.2 Ų39.229%0.29320%0.197SC..Hα-helixtrans-82-39.7-172.3-71167.4000113.3S21 F22 L51 F125S21-L25 VanDerWaalsContact O-CB 3.31Å; S21-L25 WeakPolarHBondContact O-CB 3.39Å; S21-L25 WeakPolarHBondContact O-CG 3.19Å; S21-L25 PolarHBondContact O-N 2.99Å; F22-L25 PolarHBondContact O-N 2.96Å; L25-L51 HydrophobicContact CD1-CB 4.03Å; L25-L51 HydrophobicContact CD1-CD2 3.27Å; L25-L51 HydrophobicContact CD1-CG 4.25Å; L25-F125 HydrophobicContact CB-CE2 4.27Å; L25-F125 HydrophobicContact CB-CZ 4.3Å; L25-F125 HydrophobicContact CD1-CE2 3.96Å; L25-F125 HydrophobicContact CD1-CZ 3.86Å
26Q81.9Confident90.4Very high75 Ų7542 Ų4235%0.3522%0.215SC..Hα-helixtrans-78.5-37.1-176.5-175.1631600111.9F22F22-Q26 HydrophobicContact CD2-CB 4.04Å; F22-Q26 HydrophobicContact CE2-CB 3.88Å; F22-Q26 HydrophobicContact CE2-CG 3.93Å; F22-Q26 HydrophobicContact CZ-CB 4.31Å; F22-Q26 HydrophobicContact CZ-CG 4.12Å; F22-Q26 WeakPolarHBondContact O-CB 3.35Å; F22-Q26 PolarHBondContact O-N 3.27Å
27Y83.5Confident90.5Very high143 Ų14338.8 Ų38.856%0.56121%0.206SC*.Hα-helixtrans-113.8-2-173.5-57.6-85.1000113.6F22 L23 L29F22-Y27 HydrophobicContact CD1-CE2 4.34Å; F22-Y27 AromaticContact CE1-CE2 3.7Å; F22-Y27 HydrophobicContact CE1-CE2 3.7Å; F22-Y27 AromaticContact CZ-CE2 3.99Å; F22-Y27 HydrophobicContact CZ-CE2 3.99Å; L23-Y27 HydrophobicContact CD2-CD2 4.19Å; L23-Y27 HydrophobicContact CD2-CE2 4.36Å; L23-Y27 WeakPolarHBondContact O-CB 3.16Å; L23-Y27 PolarHBondContact O-N 2.91Å; Y27-L29 PolarHBondContact O-N 3.42Å
28G82.8Confident90.4Very high53 Ų5342.4 Ų42.455%0.54623%0.231SC..  trans67.114.9-179.900000114.2S24 V173S24-G28 WeakPolarHBondContact O-CA 3.49Å; S24-G28 PolarHBondContact O-N 3.15Å; G28-V173 VanDerWaalsContact C-CG1 3.46Å; G28-V173 WeakPolarHBondContact O-CG1 3.15Å
29L87.8Confident90.4Very high59 Ų5944.2 Ų44.231%0.30925%0.245SC..  trans-79132.9-174.1-63.8174.1000111.6V9 S24 Y27 V31 V173V9-L29 HydrophobicContact CG2-CB 4.22Å; V9-L29 HydrophobicContact CG2-CD1 4Å; S24-L29 WeakPolarHBondContact CA-O 3.48Å; Y27-L29 PolarHBondContact O-N 3.42Å; L29-V31 HydrophobicContact CB-CG2 4.3Å; L29-V31 WeakPolarHBondContact O-CG2 3.17Å; L29-V31 PolarHBondContact O-N 3.12Å; L29-V31 VanDerWaalsContact O-N 3.08Å; L29-V173 WeakPolarHBondContact O-CG1 3.37Å
30Q91.8Very high90.4Very high76 Ų7644 Ų4436%0.35525%0.245SC..  trans-65.9110.8171.8-170.317939.500110.4Q8 V9 F32 V173Q8-Q30 HydrophobicContact CG-CB 4.48Å; V9-Q30 PolarHBondContact N-O 3.18Å; Q30-F32 HydrophobicContact CG-CE2 3.82Å; Q30-F32 HydrophobicContact CG-CZ 3.97Å; Q30-V173 CarbonylContact C-O 3.51Å; Q30-V173 WeakPolarHBondContact CA-O 3.41Å
31V93.8Very high90.2Very high0 Ų044.1 Ų44.10%025%0.246CC..EExtended strand (participates in β ladder)trans-113.5129.9-176.9-166.70000111.7V9 D11 L23 L29 V173 F174 S175V9-V31 HydrophobicContact CB-CB 4.37Å; V9-V31 HydrophobicContact CB-CG1 4.06Å; V9-V31 HydrophobicContact CB-CG2 4.07Å; V9-V31 HydrophobicContact CG1-CG1 4.02Å; V9-V31 CarbonylContact O-C 3.55Å; V9-V31 VanDerWaalsContact O-CA 3.32Å; V9-V31 WeakPolarHBondContact O-CA 3.24Å; D11-V31 HydrophobicContact CB-CG1 4.28Å; L23-V31 HydrophobicContact CB-CG2 3.86Å; L29-V31 HydrophobicContact CB-CG2 4.3Å; L29-V31 WeakPolarHBondContact O-CG2 3.17Å; L29-V31 PolarHBondContact O-N 3.12Å; L29-V31 VanDerWaalsContact O-N 3.08Å; V31-V173 PolarHBondContact N-O 3.28Å; V31-F174 HydrophobicContact CB-CD2 4.2Å; V31-F174 HydrophobicContact CG1-CD2 4.4Å; V31-F174 CarbonylContact O-C 3.47Å; V31-F174 WeakPolarHBondContact O-CA 3.29Å; V31-F174 WeakPolarHBondContact O-CD2 3.15Å; V31-S175 PolarHBondContact O-N 3.39Å
32F95.8Very high90.1Very high2 Ų249.7 Ų49.71%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-107111.7168.7-59.7-84.5000108.9Q8 V9 I10 D11 Q30 S175 L177 I191 E193Q8-F32 HydrophobicContact CB-CE2 4.39Å; Q8-F32 HydrophobicContact CG-CE2 4.26Å; V9-F32 PolarHBondContact O-N 3.48Å; I10-F32 CarbonylContact C-O 3.48Å; I10-F32 WeakPolarHBondContact CA-O 3.46Å; D11-F32 PolarHBondContact N-O 3.11Å; Q30-F32 HydrophobicContact CG-CE2 3.82Å; Q30-F32 HydrophobicContact CG-CZ 3.97Å; F32-S175 WeakPolarHBondContact CA-O 3.17Å; F32-L177 HydrophobicContact CB-CD1 4.37Å; F32-L177 HydrophobicContact CD1-CD1 4.31Å; F32-I191 HydrophobicContact CB-CD1 3.59Å; F32-I191 HydrophobicContact CB-CG1 4.18Å; F32-I191 HydrophobicContact CD1-CD1 4.19Å; F32-I191 HydrophobicContact CD1-CG1 3.95Å; F32-I191 HydrophobicContact CD1-CG2 3.95Å; F32-I191 HydrophobicContact CD2-CD1 3.99Å; F32-I191 HydrophobicContact CD2-CG2 4.09Å; F32-I191 HydrophobicContact CE1-CG2 3.68Å; F32-I191 HydrophobicContact CE2-CG2 3.81Å; F32-I191 HydrophobicContact CG-CD1 3.65Å; F32-I191 HydrophobicContact CG-CG1 3.96Å; F32-I191 HydrophobicContact CG-CG2 4.15Å; F32-I191 HydrophobicContact CZ-CG2 3.6Å; F32-E193 HydrophobicContact CE1-CG 4.45Å; F32-E193 VanDerWaalsContact CE1-OE1 3.28Å; F32-E193 WeakPolarHBondContact CE1-OE1 3.34Å; F32-E193 HydrophobicContact CZ-CG 3.89Å
33G96.2Very high90.1Very high0 Ų049 Ų490%027%0.274CS..EExtended strand (participates in β ladder)trans-99.1116.6179.100000110.6D11 S14 S175 P176 L177D11-G33 CarbonylContact O-C 3.31Å; D11-G33 WeakPolarHBondContact O-CA 3.31Å; S14-G33 VanDerWaalsContact OG-C 3.27Å; G33-S175 PolarHBondContact N-O 3.47Å; G33-P176 CarbonylContact O-C 3.29Å; G33-P176 VanDerWaalsContact O-CA 3.32Å; G33-P176 WeakPolarHBondContact O-CA 3.34Å; G33-L177 PolarHBondContact O-N 3.45Å
34I97Very high90.1Very high0 Ų047.6 Ų47.60%027%0.266CS..EExtended strand (participates in β ladder)trans-106127.8-177.7-49.4174.9000108.7I10 D11 G13 S14 L177 V181 L187 L190I10-I34 HydrophobicContact CG2-CD1 3.84Å; I10-I34 HydrophobicContact CG2-CG1 4.47Å; D11-I34 PolarHBondContact O-N 3.46Å; G13-I34 WeakPolarHBondContact CA-O 3.3Å; G13-I34 PolarHBondContact N-O 2.9Å; S14-I34 PolarHBondContact N-O 3.46Å; S14-I34 PolarHBondContact OG-N 2.89Å; S14-I34 PolarHBondContact OG-O 2.8Å; I34-L177 WeakPolarHBondContact CA-O 3.34Å; I34-L177 HydrophobicContact CG1-CB 4.32Å; I34-L177 HydrophobicContact CG1-CD1 4.31Å; I34-V181 HydrophobicContact CB-CG2 4.23Å; I34-V181 HydrophobicContact CG2-CG2 3.52Å; I34-L187 HydrophobicContact CD1-CD2 4.33Å; I34-L190 HydrophobicContact CD1-CD1 4.08Å
35D96.6Very high90.1Very high18 Ų1851.8 Ų51.810%0.09629%0.286CS..EExtended strand (participates in β ladder)trans-140.6147.6172.4-164.6-101.5000110G15 S37 N40 T41 L177 T178 S179G15-D35 WeakPolarHBondContact CA-OD2 3.26Å; G15-D35 PolarHBondContact N-OD2 3.25Å; D35-S37 VanDerWaalsContact C-N 3.31Å; D35-S37 PolarHBondContact O-N 2.94Å; D35-S37 VanDerWaalsContact OD1-CB 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.41Å; D35-S37 PolarHBondContact OD1-N 2.97Å; D35-N40 WeakPolarHBondContact OD1-CB 3.23Å; D35-N40 PolarHBondContact OD1-ND2 2.55Å; D35-T41 HydrophobicContact CB-CG2 3.79Å; D35-L177 PolarHBondContact N-O 2.9Å; D35-L177 VanDerWaalsContact N-O 3.1Å; D35-T178 CarbonylContact O-C 3.57Å; D35-T178 VanDerWaalsContact O-CA 3.3Å; D35-T178 WeakPolarHBondContact O-CA 3.4Å; D35-S179 CarbonylContact C-O 3.56Å; D35-S179 VanDerWaalsContact C-O 3.29Å; D35-S179 PolarHBondContact O-N 2.91Å
36S93.8Very high90.3Very high73 Ų7351.8 Ų51.851%0.5128%0.284SS..SBendtrans-76-20.6-179.959.60000113S179S36-S179 WeakPolarHBondContact CA-O 3.43Å; S36-S179 PolarHBondContact N-O 3.1Å
37S92.9Very high90.4Very high39 Ų3950.1 Ų50.127%0.27328%0.275SS..  trans-92.9116.4-178.1-175.10000112D35 I39 N40 T41D35-S37 VanDerWaalsContact C-N 3.31Å; D35-S37 PolarHBondContact O-N 2.94Å; D35-S37 VanDerWaalsContact OD1-CB 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.41Å; D35-S37 PolarHBondContact OD1-N 2.97Å; S37-I39 PolarHBondContact O-N 3.21Å; S37-N40 WeakPolarHBondContact O-CB 3.46Å; S37-N40 PolarHBondContact O-N 3.23Å; S37-N40 VanDerWaalsContact O-N 3.08Å; S37-T41 PolarHBondContact O-N 3.4Å; S37-T41 VanDerWaalsContact O-N 3.13Å; S37-T41 PolarHBondContact O-OG1 2.95Å
38S90.3Very high90.4Very high76 Ų7643.7 Ų43.753%0.53125%0.25SC..Hα-helixtrans-59.6-28.117459.90000113.5T41 H42S38-T41 WeakPolarHBondContact CA-OG1 3.42Å; S38-T41 PolarHBondContact O-OG1 3.39Å; S38-T41 VanDerWaalsContact O-OG1 3.1Å; S38-H42 WeakPolarHBondContact O-CB 3.42Å; S38-H42 PolarHBondContact O-N 3.41Å
39I91.3Very high90.5Very high133 Ų13348.5 Ų48.568%0.68225%0.251SS*.Hα-helixtrans-65.7-44.1176.2-62.3173.4000110.1S37 G43S37-I39 PolarHBondContact O-N 3.21Å; I39-G43 PolarHBondContact O-N 2.86Å
40N90.3Very high90.2Very high47 Ų4749.3 Ų49.325%0.25125%0.252SS..Hα-helixtrans-66.3-49.1-180-78.4-20.6000111.3G15 D35 S37 G43 A44G15-N40 WeakPolarHBondContact O-CB 3.46Å; D35-N40 WeakPolarHBondContact OD1-CB 3.23Å; D35-N40 PolarHBondContact OD1-ND2 2.55Å; S37-N40 WeakPolarHBondContact O-CB 3.46Å; S37-N40 PolarHBondContact O-N 3.23Å; S37-N40 VanDerWaalsContact O-N 3.08Å; N40-G43 PolarHBondContact O-N 3.03Å; N40-A44 PolarHBondContact O-N 3.17Å
41T89.7Confident89.6Confident3 Ų347.2 Ų47.22%0.01824%0.243CC..Hα-helixtrans-66.4-42.6-178.358.40000111.9D35 S37 S38 G43 A44 Q45 L177 T178D35-T41 HydrophobicContact CB-CG2 3.79Å; S37-T41 PolarHBondContact O-N 3.4Å; S37-T41 VanDerWaalsContact O-N 3.13Å; S37-T41 PolarHBondContact O-OG1 2.95Å; S38-T41 WeakPolarHBondContact CA-OG1 3.42Å; S38-T41 PolarHBondContact O-OG1 3.39Å; S38-T41 VanDerWaalsContact O-OG1 3.1Å; T41-G43 VanDerWaalsContact C-N 3.32Å; T41-G43 PolarHBondContact O-N 3.38Å; T41-A44 WeakPolarHBondContact O-CB 3.45Å; T41-A44 PolarHBondContact O-N 3Å; T41-A44 VanDerWaalsContact O-N 3.12Å; T41-Q45 WeakPolarHBondContact O-CG 3.41Å; T41-Q45 PolarHBondContact O-N 3.34Å; T41-L177 WeakPolarHBondContact CG2-O 3.23Å; T41-T178 WeakPolarHBondContact CB-OG1 3.5Å; T41-T178 WeakPolarHBondContact CG2-OG1 2.96Å; T41-T178 PolarHBondContact OG1-OG1 2.86Å
42H88.8Confident88.6Confident120 Ų12050.4 Ų50.456%0.55626%0.257SS*.Hα-helixtrans-61.1-42.3173.2179-83.8000111.3S38 A44 Q45 E46S38-H42 WeakPolarHBondContact O-CB 3.42Å; S38-H42 PolarHBondContact O-N 3.41Å; H42-A44 VanDerWaalsContact C-N 3.3Å; H42-A44 PolarHBondContact O-N 2.91Å; H42-Q45 PolarHBondContact O-N 3.39Å; H42-E46 PolarHBondContact O-N 2.76Å
43G87.3Confident87.6Confident21 Ų2158.3 Ų58.322%0.21629%0.292CS..Hα-helixtrans-61.4-38173.500000113I39 N40 T41 R47I39-G43 PolarHBondContact O-N 2.86Å; N40-G43 PolarHBondContact O-N 3.03Å; T41-G43 VanDerWaalsContact C-N 3.32Å; T41-G43 PolarHBondContact O-N 3.38Å; G43-R47 VanDerWaalsContact C-NH2 3.3Å; G43-R47 PolarHBondContact O-N 3.41Å; G43-R47 VanDerWaalsContact O-N 3.08Å; G43-R47 PolarHBondContact O-NH2 2.78Å
44A89.7Confident86.3Confident0 Ų065.1 Ų65.10%032%0.322CS..Hα-helixtrans-67.5-41.317600000111.8K16 N40 T41 H42 R47 N48 F174 P176K16-A44 WeakPolarHBondContact O-CB 3.23Å; N40-A44 PolarHBondContact O-N 3.17Å; T41-A44 WeakPolarHBondContact O-CB 3.45Å; T41-A44 PolarHBondContact O-N 3Å; T41-A44 VanDerWaalsContact O-N 3.12Å; H42-A44 VanDerWaalsContact C-N 3.3Å; H42-A44 PolarHBondContact O-N 2.91Å; A44-R47 PolarHBondContact O-N 3.14Å; A44-N48 WeakPolarHBondContact O-CB 3.47Å; A44-N48 PolarHBondContact O-N 2.83Å; A44-F174 HydrophobicContact CB-CE1 4.25Å; A44-F174 HydrophobicContact CB-CZ 4.31Å; A44-P176 HydrophobicContact CB-CB 4.11Å
45Q88.3Confident84.8Confident94 Ų9466.7 Ų66.744%0.43933%0.332SS..Hα-helixtrans-58.4-49174-73.3175.5-5.200111.6T41 H42 R47 N48 R49 P176T41-Q45 WeakPolarHBondContact O-CG 3.41Å; T41-Q45 PolarHBondContact O-N 3.34Å; H42-Q45 PolarHBondContact O-N 3.39Å; Q45-R47 PolarHBondContact O-N 3.02Å; Q45-N48 PolarHBondContact O-N 3.38Å; Q45-R49 PolarHBondContact O-N 3.5Å; Q45-P176 HydrophobicContact CB-CG 4.23Å; Q45-P176 HydrophobicContact CG-CB 4.21Å; Q45-P176 HydrophobicContact CG-CG 3.19Å
46E86.2Confident83.2Confident56 Ų5672.5 Ų72.526%0.26235%0.353SS..Hα-helixtrans-63-42.8-179.9-178.555.4-148.900111.7H42 R49 K50H42-E46 PolarHBondContact O-N 2.76Å; E46-R49 PolarHBondContact O-N 3.4Å; E46-R49 IonicContact OE1-CZ 3.35Å; E46-R49 IonicContact OE1-NE 3.79Å; E46-R49 IonicContact OE1-NH2 2.97Å; E46-R49 PolarHBondContact OE1-NH2 3.17Å; E46-R49 IonicContact OE2-CZ 2.83Å; E46-R49 IonicContact OE2-NE 3.69Å; E46-R49 PolarHBondContact OE2-NE 2.9Å; E46-R49 IonicContact OE2-NH1 3.31Å; E46-R49 IonicContact OE2-NH2 3.85Å; E46-R49 PolarHBondContact OE2-NH2 3.36Å; E46-K50 WeakPolarHBondContact O-CG 3.45Å; E46-K50 PolarHBondContact O-N 3.26Å; E46-K50 VanDerWaalsContact O-N 3.13Å; E46-K50 WeakPolarHBondContact OE1-CE 3.38Å
47R84.9Confident81.4Confident40 Ų4071.2 Ų71.215%0.15135%0.347CS..Hα-helixtrans-59.7-50.4173.4-84.2-169.9-69.5-81.8-16.9111.3K16 G43 A44 Q45 R49 K50 L51K16-R47 VanDerWaalsContact C-NH2 3.34Å; K16-R47 VanDerWaalsContact O-CZ 3.32Å; K16-R47 PolarHBondContact O-NE 2.7Å; K16-R47 PolarHBondContact O-NH2 3.44Å; G43-R47 VanDerWaalsContact C-NH2 3.3Å; G43-R47 PolarHBondContact O-N 3.41Å; G43-R47 VanDerWaalsContact O-N 3.08Å; G43-R47 PolarHBondContact O-NH2 2.78Å; A44-R47 PolarHBondContact O-N 3.14Å; Q45-R47 PolarHBondContact O-N 3.02Å; R47-R49 VanDerWaalsContact C-N 3.27Å; R47-R49 PolarHBondContact O-N 3.27Å; R47-K50 WeakPolarHBondContact O-CB 3.45Å; R47-K50 PolarHBondContact O-N 3.15Å; R47-L51 HydrophobicContact CB-CD1 4.36Å; R47-L51 WeakPolarHBondContact O-CD1 3.48Å; R47-L51 PolarHBondContact O-N 3.12Å
48N84.1Confident79.4Confident7 Ų777.7 Ų77.74%0.03737%0.366CS..Hα-helixtrans-57.9-41.1-179.7-170.215.5000111.5A44 Q45 K50 L51 K52 F174A44-N48 WeakPolarHBondContact O-CB 3.47Å; A44-N48 PolarHBondContact O-N 2.83Å; Q45-N48 PolarHBondContact O-N 3.38Å; N48-K50 PolarHBondContact O-N 3.26Å; N48-L51 PolarHBondContact O-N 3.45Å; N48-K52 WeakPolarHBondContact O-CB 3.43Å; N48-K52 VanDerWaalsContact O-CG 3.31Å; N48-K52 WeakPolarHBondContact O-CG 3.19Å; N48-K52 PolarHBondContact O-N 2.91Å; N48-K52 WeakPolarHBondContact OD1-CE 3.27Å; N48-F174 HydrophobicContact CB-CD1 4.05Å; N48-F174 HydrophobicContact CB-CE1 4.48Å; N48-F174 PolarHBondContact ND2-O 3.16Å
49R83.3Confident77.8Confident154 Ų15479.1 Ų79.158%0.58136%0.364SS*.Hα-helixtrans-58.4-45.5173.9-173-179.671.71704.6112.3Q45 E46 R47 K53Q45-R49 PolarHBondContact O-N 3.5Å; E46-R49 PolarHBondContact O-N 3.4Å; E46-R49 IonicContact OE1-CZ 3.35Å; E46-R49 IonicContact OE1-NE 3.79Å; E46-R49 IonicContact OE1-NH2 2.97Å; E46-R49 PolarHBondContact OE1-NH2 3.17Å; E46-R49 IonicContact OE2-CZ 2.83Å; E46-R49 IonicContact OE2-NE 3.69Å; E46-R49 PolarHBondContact OE2-NE 2.9Å; E46-R49 IonicContact OE2-NH1 3.31Å; E46-R49 IonicContact OE2-NH2 3.85Å; E46-R49 PolarHBondContact OE2-NH2 3.36Å; R47-R49 VanDerWaalsContact C-N 3.27Å; R47-R49 PolarHBondContact O-N 3.27Å; R49-K53 PolarHBondContact O-N 3.02Å
50K82.7Confident75.9Confident76 Ų7680.4 Ų80.433%0.3337%0.365SS..Hα-helixtrans-64.6-48.5177-68.8178.6-178.7-173.50111.1E46 R47 N48 K52 K53 F54E46-K50 WeakPolarHBondContact O-CG 3.45Å; E46-K50 PolarHBondContact O-N 3.26Å; E46-K50 VanDerWaalsContact O-N 3.13Å; E46-K50 WeakPolarHBondContact OE1-CE 3.38Å; R47-K50 WeakPolarHBondContact O-CB 3.45Å; R47-K50 PolarHBondContact O-N 3.15Å; N48-K50 PolarHBondContact O-N 3.26Å; K50-K52 VanDerWaalsContact C-N 3.32Å; K50-K52 PolarHBondContact O-N 3.38Å; K50-K53 WeakPolarHBondContact O-CB 3.38Å; K50-K53 PolarHBondContact O-N 3.43Å; K50-F54 WeakPolarHBondContact O-CD2 3.18Å; K50-F54 PolarHBondContact O-N 3.14Å
51L78.4Confident73.8Confident32 Ų3284.9 Ų84.917%0.16838%0.384CS..Hα-helixtrans-61.8-37.8179.9-8884.9000112.4L25 R47 N48 K53 F54 S55 F125 L129L25-L51 HydrophobicContact CD1-CB 4.03Å; L25-L51 HydrophobicContact CD1-CD2 3.27Å; L25-L51 HydrophobicContact CD1-CG 4.25Å; R47-L51 HydrophobicContact CB-CD1 4.36Å; R47-L51 WeakPolarHBondContact O-CD1 3.48Å; R47-L51 PolarHBondContact O-N 3.12Å; N48-L51 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.29Å; L51-K53 PolarHBondContact O-N 2.89Å; L51-F54 PolarHBondContact O-N 3.18Å; L51-S55 VanDerWaalsContact O-CB 3.29Å; L51-S55 WeakPolarHBondContact O-CB 3.21Å; L51-S55 PolarHBondContact O-N 3.36Å; L51-F125 HydrophobicContact CD2-CE2 4.34Å; L51-F125 HydrophobicContact CD2-CZ 4.16Å; L51-L129 HydrophobicContact CD1-CD2 4.32Å; L51-L129 HydrophobicContact CD2-CD2 3.71Å
52K73.6Confident71.5Confident67 Ų6786.9 Ų86.929%0.29140%0.399SS..Hα-helixtrans-59.3-40.3172.6-76.2177.1-177.1-179.20112.1N48 K50 R56N48-K52 WeakPolarHBondContact O-CB 3.43Å; N48-K52 VanDerWaalsContact O-CG 3.31Å; N48-K52 WeakPolarHBondContact O-CG 3.19Å; N48-K52 PolarHBondContact O-N 2.91Å; N48-K52 WeakPolarHBondContact OD1-CE 3.27Å; K50-K52 VanDerWaalsContact C-N 3.32Å; K50-K52 PolarHBondContact O-N 3.38Å; K52-R56 WeakPolarHBondContact O-CB 2.94Å; K52-R56 VanDerWaalsContact O-CG 3.25Å; K52-R56 WeakPolarHBondContact O-CG 3.36Å; K52-R56 PolarHBondContact O-N 2.85Å
53K74.2Confident69.5Low168 Ų16888 Ų8873%0.7340%0.402SS*.Hα-helixtrans-63.9-44.6176.4-169.6-179.8179.2-1770111.3R49 K50 L51 A57R49-K53 PolarHBondContact O-N 3.02Å; K50-K53 WeakPolarHBondContact O-CB 3.38Å; K50-K53 PolarHBondContact O-N 3.43Å; L51-K53 VanDerWaalsContact C-N 3.29Å; L51-K53 PolarHBondContact O-N 2.89Å; K53-A57 PolarHBondContact O-N 2.87Å; K53-A57 VanDerWaalsContact O-N 3.14Å
54F68.6Low67.8Low144 Ų14489.2 Ų89.263%0.63241%0.41SS*.Hα-helixtrans-67.6-44.8177.4-74.7-71.1000112.6K50 L51 R56 A57 Y58K50-F54 WeakPolarHBondContact O-CD2 3.18Å; K50-F54 PolarHBondContact O-N 3.14Å; L51-F54 PolarHBondContact O-N 3.18Å; F54-R56 PolarHBondContact O-N 3.33Å; F54-A57 WeakPolarHBondContact O-CB 3.48Å; F54-A57 PolarHBondContact O-N 3.21Å; F54-A57 VanDerWaalsContact O-N 3.13Å; F54-Y58 WeakPolarHBondContact O-CB 3.38Å; F54-Y58 PolarHBondContact O-N 3.16Å
55S66.1Low65.7Low32 Ų3292 Ų9222%0.22443%0.433CS..Hα-helixtrans-62-42.1177.5179.30000111.6L51 A57 Y58 Q59L51-S55 VanDerWaalsContact O-CB 3.29Å; L51-S55 WeakPolarHBondContact O-CB 3.21Å; L51-S55 PolarHBondContact O-N 3.36Å; S55-A57 VanDerWaalsContact C-N 3.32Å; S55-A57 PolarHBondContact O-N 2.83Å; S55-Y58 PolarHBondContact O-N 3.02Å; S55-Q59 VanDerWaalsContact O-CB 3.26Å; S55-Q59 WeakPolarHBondContact O-CB 3.42Å; S55-Q59 VanDerWaalsContact O-CG 3.23Å; S55-Q59 WeakPolarHBondContact O-CG 3.16Å; S55-Q59 PolarHBondContact O-N 3.12Å; S55-Q59 PolarHBondContact OG-NE2 3.12Å
56R63.5Low63.8Low141 Ų14196 Ų9653%0.53244%0.444SS..Hα-helixtrans-62.8-36.5173.4-73.7176.3-179.9-169.80.1112.6K52 F54 K60K52-R56 WeakPolarHBondContact O-CB 2.94Å; K52-R56 VanDerWaalsContact O-CG 3.25Å; K52-R56 WeakPolarHBondContact O-CG 3.36Å; K52-R56 PolarHBondContact O-N 2.85Å; F54-R56 PolarHBondContact O-N 3.33Å; R56-K60 WeakPolarHBondContact O-CB 3.41Å; R56-K60 VanDerWaalsContact O-CG 3.23Å; R56-K60 WeakPolarHBondContact O-CG 3.48Å; R56-K60 PolarHBondContact O-N 3.41Å; R56-K60 VanDerWaalsContact O-N 3.15Å
57A55.9Low62.1Low45 Ų4597.4 Ų97.437%0.37246%0.457SS..Hα-helixtrans-68.4-45.317400000111.3K53 F54 S55 K60 H61K53-A57 PolarHBondContact O-N 2.87Å; K53-A57 VanDerWaalsContact O-N 3.14Å; F54-A57 WeakPolarHBondContact O-CB 3.48Å; F54-A57 PolarHBondContact O-N 3.21Å; F54-A57 VanDerWaalsContact O-N 3.13Å; S55-A57 VanDerWaalsContact C-N 3.32Å; S55-A57 PolarHBondContact O-N 2.83Å; A57-K60 WeakPolarHBondContact O-CB 3.14Å; A57-K60 PolarHBondContact O-N 2.85Å; A57-H61 PolarHBondContact O-CD2 2.79Å; A57-H61 PolarHBondContact O-N 3.31Å
58Y50.2Low60.5Low176 Ų176102 Ų10269%0.6948%0.48SS*.Hα-helixtrans-65.6-43.9179.3-171.7-95.3000112.6F54 S55 K60 H61 S62F54-Y58 WeakPolarHBondContact O-CB 3.38Å; F54-Y58 PolarHBondContact O-N 3.16Å; S55-Y58 PolarHBondContact O-N 3.02Å; Y58-K60 VanDerWaalsContact C-N 3.3Å; Y58-K60 PolarHBondContact O-N 2.9Å; Y58-H61 PolarHBondContact O-N 3.29Å; Y58-H61 VanDerWaalsContact O-N 3.17Å; Y58-S62 WeakPolarHBondContact O-CB 3.13Å; Y58-S62 PolarHBondContact O-N 2.88Å
59Q56.3Low58.7Low105 Ų105104.7 Ų104.749%0.49150%0.503SS..Hα-helixtrans-63.8-34174.7-72.9177.21.200112S55 K63S55-Q59 VanDerWaalsContact O-CB 3.26Å; S55-Q59 WeakPolarHBondContact O-CB 3.42Å; S55-Q59 VanDerWaalsContact O-CG 3.23Å; S55-Q59 WeakPolarHBondContact O-CG 3.16Å; S55-Q59 PolarHBondContact O-N 3.12Å; S55-Q59 PolarHBondContact OG-NE2 3.12Å; Q59-K63 VanDerWaalsContact O-CB 3.28Å; Q59-K63 WeakPolarHBondContact O-CB 3.32Å; Q59-K63 WeakPolarHBondContact O-CG 3.31Å; Q59-K63 PolarHBondContact O-N 3.38Å
60K51.7Low56.9Low161 Ų161103.9 Ų103.970%0.751%0.506SS*.Hα-helixtrans-65.8-42.5171.6-80.3178179.5-170.10111.8R56 A57 Y58 A64R56-K60 WeakPolarHBondContact O-CB 3.41Å; R56-K60 VanDerWaalsContact O-CG 3.23Å; R56-K60 WeakPolarHBondContact O-CG 3.48Å; R56-K60 PolarHBondContact O-N 3.41Å; R56-K60 VanDerWaalsContact O-N 3.15Å; A57-K60 WeakPolarHBondContact O-CB 3.14Å; A57-K60 PolarHBondContact O-N 2.85Å; Y58-K60 VanDerWaalsContact C-N 3.3Å; Y58-K60 PolarHBondContact O-N 2.9Å; K60-A64 WeakPolarHBondContact O-CB 3.47Å; K60-A64 PolarHBondContact O-N 2.8Å
61H45.4Very low55.1Low141 Ų141104.1 Ų104.165%0.65352%0.522SS*.Hα-helixtrans-68.3-39.6176-77.3-70.4000112.7A57 Y58 A64 A65A57-H61 PolarHBondContact O-CD2 2.79Å; A57-H61 PolarHBondContact O-N 3.31Å; Y58-H61 PolarHBondContact O-N 3.29Å; Y58-H61 VanDerWaalsContact O-N 3.17Å; H61-A64 PolarHBondContact O-N 3.31Å; H61-A65 VanDerWaalsContact O-CB 3.31Å; H61-A65 WeakPolarHBondContact O-CB 3.32Å; H61-A65 PolarHBondContact O-N 2.85Å
62S42.9Very low53.5Low45 Ų45111 Ų11132%0.31555%0.553SS.*Hα-helixtrans-67.3-42176172.50000112.4Y58 A65 R66Y58-S62 WeakPolarHBondContact O-CB 3.13Å; Y58-S62 PolarHBondContact O-N 2.88Å; S62-A65 PolarHBondContact O-N 3Å; S62-R66 WeakPolarHBondContact O-CG 3.4Å; S62-R66 PolarHBondContact O-N 2.93Å
63K47Very low52.1Low143 Ų143112.1 Ų112.162%0.62257%0.569SS**Hα-helixtrans-66.6-43.5173.3-76.2-177.9177.5-176.20111.3Q59 A65 R66 T67Q59-K63 VanDerWaalsContact O-CB 3.28Å; Q59-K63 WeakPolarHBondContact O-CB 3.32Å; Q59-K63 WeakPolarHBondContact O-CG 3.31Å; Q59-K63 PolarHBondContact O-N 3.38Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 3.17Å; K63-R66 PolarHBondContact O-N 3.36Å; K63-T67 PolarHBondContact O-N 3.43Å; K63-T67 PolarHBondContact O-OG1 3.08Å
64A50.1Low49.9Very low47 Ų47109.2 Ų109.239%0.38857%0.57SS.*Hα-helixtrans-60.6-39.6175.400000112.4K60 H61 Q68K60-A64 WeakPolarHBondContact O-CB 3.47Å; K60-A64 PolarHBondContact O-N 2.8Å; H61-A64 PolarHBondContact O-N 3.31Å; A64-Q68 WeakPolarHBondContact O-CB 3.45Å; A64-Q68 VanDerWaalsContact O-CG 3.31Å; A64-Q68 WeakPolarHBondContact O-CG 3.37Å; A64-Q68 PolarHBondContact O-N 3.49Å
65A46.4Very low48.4Very low58 Ų58108 Ų10848%0.47958%0.576SS.*Hα-helixtrans-67.4-37.3174.900000112.8H61 S62 K63 A69H61-A65 VanDerWaalsContact O-CB 3.31Å; H61-A65 WeakPolarHBondContact O-CB 3.32Å; H61-A65 PolarHBondContact O-N 2.85Å; S62-A65 PolarHBondContact O-N 3Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 3.17Å; A65-A69 PolarHBondContact O-N 2.86Å; A65-A69 VanDerWaalsContact O-N 3.13Å
66R48.5Very low46.7Very low177 Ų177115.5 Ų115.567%0.66861%0.608SS**Hα-helixtrans-70.2-41.1174.4-77-178.9177.3-178.1-0.2112.8S62 K63 Q68 A69 E70S62-R66 WeakPolarHBondContact O-CG 3.4Å; S62-R66 PolarHBondContact O-N 2.93Å; K63-R66 PolarHBondContact O-N 3.36Å; R66-Q68 VanDerWaalsContact C-N 3.29Å; R66-Q68 PolarHBondContact O-N 2.95Å; R66-A69 PolarHBondContact O-N 3.42Å; R66-E70 PolarHBondContact O-N 3.3Å
67T50.8Low44.9Very low87 Ų87115.2 Ų115.253%0.53462%0.622SS.*Hα-helixtrans-66.6-31176.2-50.20000111.8K63 A71K63-T67 PolarHBondContact O-N 3.43Å; K63-T67 PolarHBondContact O-OG1 3.08Å; T67-A71 VanDerWaalsContact O-CB 3.24Å; T67-A71 WeakPolarHBondContact O-CB 3.25Å; T67-A71 PolarHBondContact O-N 3.24Å
68Q50.9Low43.6Very low136 Ų136122.2 Ų122.264%0.63665%0.647SS**Hα-helixtrans-72.2-33.8171.9-76178.1-2.200113A64 R66 Q72A64-Q68 WeakPolarHBondContact O-CB 3.45Å; A64-Q68 VanDerWaalsContact O-CG 3.31Å; A64-Q68 WeakPolarHBondContact O-CG 3.37Å; A64-Q68 PolarHBondContact O-N 3.49Å; R66-Q68 VanDerWaalsContact C-N 3.29Å; R66-Q68 PolarHBondContact O-N 2.95Å; Q68-Q72 WeakPolarHBondContact O-CG 3.29Å; Q68-Q72 PolarHBondContact O-N 2.74Å
69A45.8Very low42.4Very low63 Ų63120.2 Ų120.252%0.52165%0.653SS.*Hα-helixtrans-71-37.9173.800000112.4A65 R66 Q72A65-A69 PolarHBondContact O-N 2.86Å; A65-A69 VanDerWaalsContact O-N 3.13Å; R66-A69 PolarHBondContact O-N 3.42Å; A69-Q72 PolarHBondContact O-N 3.02Å
70E45.5Very low41.1Very low138 Ų138122.2 Ų122.265%0.64567%0.673SS**Hα-helixtrans-73.9-29.5176.1-73.3171.2169.300112.8R66 Q72 S73R66-E70 PolarHBondContact O-N 3.3Å; E70-Q72 VanDerWaalsContact C-N 3.29Å; E70-Q72 PolarHBondContact O-N 3.43Å; E70-S73 PolarHBondContact O-N 2.73Å
71A45.4Very low39.8Very low81 Ų81122.2 Ų122.267%0.66968%0.675SS**Hα-helixtrans-73.3-17.3175.100000113.9T67T67-A71 VanDerWaalsContact O-CB 3.24Å; T67-A71 WeakPolarHBondContact O-CB 3.25Å; T67-A71 PolarHBondContact O-N 3.24Å
72Q45.3Very low38.7Very low176 Ų176125 Ų12582%0.82268%0.68SS**THydrogen-bonded Turntrans-92.8-4.6176.5-72-179.7-5.600113.4Q68 A69 E70Q68-Q72 WeakPolarHBondContact O-CG 3.29Å; Q68-Q72 PolarHBondContact O-N 2.74Å; A69-Q72 PolarHBondContact O-N 3.02Å; E70-Q72 VanDerWaalsContact C-N 3.29Å; E70-Q72 PolarHBondContact O-N 3.43Å
73S42.8Very low37.9Very low91 Ų91130.6 Ų130.664%0.63670%0.699SS**  trans-120.178.6176.566.40000111.3E70E70-S73 PolarHBondContact O-N 2.73Å
74S27.9Very low37Very low107 Ų107129.4 Ų129.475%0.74871%0.706SS**  trans-134.2133.4159-161.50000109.5
75P37.9Very low35.8Very low117 Ų117130.5 Ų130.576%0.7672%0.722SS**  trans-86128.7-166.23.315.9000111.3T77P75-T77 PolarHBondContact O-N 3.02Å
76Q30.2Very low35Very low191 Ų191134.2 Ų134.289%0.89374%0.74SS**  trans-71.9117.4163.4-73.1-177.6-16.200109.1
77T26.1Very low34Very low135 Ų135133 Ų13383%0.82875%0.747SS**  trans-77.5110.916540.70000109.4P75P75-T77 PolarHBondContact O-N 3.02Å
78E28Very low32.9Very low191 Ų191140.1 Ų140.189%0.89376%0.764SS**  trans-118.9119.8155.7-84-166.6157.800109.7
79T25.4Very low31.6Very low134 Ų134140.3 Ų140.382%0.82277%0.77SS**  trans-85.8123.8173.240.90000110.4
80V28.6Very low30.7Very low148 Ų148148.1 Ų148.190%0.89779%0.786SS**  trans-144.5126.6149.9-176.30000109.7
81E24.4Very low29.8Very low161 Ų161147.9 Ų147.975%0.75279%0.789SS**  trans-80.4149.6179.1-75.1-168.7110.700114.5
82R23.5Very low28.8Very low198 Ų198147.5 Ų147.575%0.74779%0.786SS**  trans60.2136.3141.1-80.4178.4147.8-175.1-0.5118.6
83K25.1Very low27.9Very low163 Ų163147.3 Ų147.371%0.70979%0.79SS**  cis-177.8-171.539.2-135.3179.1-169.2-174.30110.2
84P28Very low27.1Very low119 Ų119147.5 Ų147.577%0.77380%0.797SS**  -102.6176.2-114.739.6-21.6000117.2
85G25.4Very low26.9Very low70 Ų70145.6 Ų145.672%0.72279%0.794SS**  trans-66.3-170.1-16900000119.2
86P30.7Very low26.2Very low135 Ų135146.2 Ų146.288%0.87780%0.801SS**  -149.3171.996.637.3-18.2000117.2
87N25.9Very low25.8Very low151 Ų151139.7 Ų139.781%0.80779%0.785SS**  trans-46.9155.5176.4-72.2-20000118.3
88R27.9Very low25.8Very low237 Ų237138 Ų13889%0.89478%0.779SS**  trans-179.3108.4131.6-97.5166.5173.8-152.4-4.2108.6
89D23.8Very low25.7Very low141 Ų141136.1 Ų136.175%0.75477%0.77SS**  67.1119.585.8-85.5-33.6000116.3
90R27.6Very low25.6Very low227 Ų227136.9 Ų136.986%0.85776%0.764SS**  trans60.3144.9144.4-91.1-178.4162-180-6.8118.6
91D25.4Very low25.4Very low132 Ų132136.3 Ų136.371%0.70676%0.756SS**  cis-151.9142.331.7-85.2-47.7000108.1
92A26.2Very low25.3Very low74 Ų74134.9 Ų134.961%0.61276%0.758SS**  83.1143.96500000115.5
93L25.6Very low25.3Very low171 Ų171129.1 Ų129.190%0.89576%0.76SS**  trans72.1140.4175.2-75.983000116.2
94A24.7Very low25.2Very low95 Ų95126.4 Ų126.479%0.78577%0.768SS**  cis168.9152.1-3.100000103.1
95G23.8Very low24.9Very low67 Ų67126 Ų12669%0.69177%0.768SS**  cis177.7174.5-1.100000108.5
96S24.1Very low24.8Very low131 Ų131129.4 Ų129.492%0.91678%0.775SS**  trans62.4127.6152.8-160.10000117.2
97G22.8Very low24.4Very low53 Ų53130.6 Ų130.655%0.54677%0.774SS.*  cis166.7127.214.200000104.3
98S24.3Very low24.3Very low101 Ų101127.9 Ų127.971%0.70677%0.772SS**  85.4135.596.663.60000112.3
99Q26Very low24.2Very low150 Ų150122.8 Ų122.870%0.70177%0.77SS**  cis-176.3139.76.2-110.5170.4-6.700105.6
100Q24.5Very low24.1Very low150 Ų150120.5 Ų120.570%0.70177%0.771SS**  79.1136.9115.9-72168.1-9.500114.8
101D23.5Very low24Very low136 Ų136114 Ų11473%0.72777%0.766SS**  -154.8157.258.3-124.1-16.2000117.7
102V23.5Very low23.9Very low132 Ų132116.4 Ų116.480%0.877%0.773SS**  trans-26.3163.2172-74.10000119.8
103G22Very low23.8Very low76 Ų76119.4 Ų119.478%0.78478%0.783SS**  cis167.516515.300000105.5
104A23.4Very low23.9Very low106 Ų106119.4 Ų119.488%0.87678%0.779SS**  cis-161.2158.525.600000110.3
105S22.4Very low24.2Very low110 Ų110119.9 Ų119.977%0.76978%0.776SS**  trans-84.2147.1178.548.10000114
106V23.5Very low24.4Very low143 Ų143121.3 Ų121.387%0.86778%0.782SS**  trans-150.2139.7138.2-169.40000110.4
107D21.2Very low25Very low160 Ų160122.3 Ų122.386%0.85678%0.776SS**  trans-54.6152.1-170.6-62.6-68000119.6
108A23.6Very low25.6Very low94 Ų94121.9 Ų121.978%0.77777%0.771SS**  trans-142136.9155.500000110.8
109P26Very low26.4Very low129 Ų129122.5 Ų122.584%0.83877%0.773SS**  trans-88.5143.5-170.734.4-32.9000114.1
110A23.1Very low27Very low94 Ų94122.4 Ų122.478%0.77777%0.772SS**  trans42.9101.3139.900000120.8
111A24.5Very low28.1Very low91 Ų91117.2 Ų117.275%0.75276%0.756SS**  38.3109.2123.900000120.6
112E24.1Very low29.2Very low182 Ų182111.5 Ų111.585%0.8573%0.729SS**  trans-124105.4135.7-78.7-168.1164.700108.8Q114E112-Q114 PolarHBondContact O-N 2.76Å
113T24.2Very low30.5Very low136 Ų136112 Ų11283%0.83472%0.722SS**  trans-71.8101.1177.4-55.30000110.1
114Q27.2Very low31.9Very low172 Ų172114 Ų11480%0.80471%0.714SS**  trans-90.6112.3161.1-69.5-175.47.100108.4E112 A116E112-Q114 PolarHBondContact O-N 2.76Å; Q114-A116 VanDerWaalsContact C-N 3.34Å; Q114-A116 PolarHBondContact O-N 2.8Å
115S30.6Very low33.3Very low105 Ų105110.9 Ų110.973%0.73468%0.681SS**  trans-7088.4174.463.90000110L117S115-L117 PolarHBondContact O-N 3.13Å
116A28.2Very low34.7Very low97 Ų97109.9 Ų109.980%0.80267%0.667SS**  trans-75.2104.4166.200000108.8Q114Q114-A116 VanDerWaalsContact C-N 3.34Å; Q114-A116 PolarHBondContact O-N 2.8Å
117L37.3Very low36.1Very low152 Ų152105.9 Ų105.980%0.79665%0.645SS**  trans-73.1129166.9-72.8164.6000108.6S115S115-L117 PolarHBondContact O-N 3.13Å
118G34.2Very low37.5Very low43 Ų43101.1 Ų101.144%0.44363%0.628SS.*  trans-71.4172.4-163.800000117.1E120 A121G118-E120 PolarHBondContact O-N 3.14Å; G118-E120 VanDerWaalsContact O-N 3.15Å; G118-A121 PolarHBondContact O-N 3.46Å
119P41.7Very low38.8Very low115 Ų11597.9 Ų97.975%0.74760%0.598SS**THydrogen-bonded Turntrans-57.4-28-174.1-22.232.1000115.3A121 G122 E123P119-A121 VanDerWaalsContact C-N 3.29Å; P119-A121 PolarHBondContact O-N 3.24Å; P119-G122 PolarHBondContact O-N 3.39Å; P119-G122 VanDerWaalsContact O-N 3.12Å; P119-E123 PolarHBondContact O-N 2.97Å
120E39.5Very low40Very low147 Ų14796.8 Ų96.869%0.68759%0.593SS**Hα-helixtrans-56-37.3-178.4-69.5-91141.200113.3G118 G122 E123 L124G118-E120 PolarHBondContact O-N 3.14Å; G118-E120 VanDerWaalsContact O-N 3.15Å; E120-G122 VanDerWaalsContact C-N 3.31Å; E120-G122 PolarHBondContact O-N 3.38Å; E120-E123 PolarHBondContact O-N 3.43Å; E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.13Å; E120-L124 VanDerWaalsContact O-N 3.11Å
121A45.8Very low41.1Very low42 Ų4296 Ų9635%0.34759%0.586SS.*Hα-helixtrans-68.5-31.4-179.600000112.5G118 P119 F125G118-A121 PolarHBondContact O-N 3.46Å; P119-A121 VanDerWaalsContact C-N 3.29Å; P119-A121 PolarHBondContact O-N 3.24Å; A121-F125 WeakPolarHBondContact O-CB 3.37Å; A121-F125 PolarHBondContact O-N 3.33Å; A121-F125 VanDerWaalsContact O-N 3.17Å
122G48.1Very low41.8Very low16 Ų1698 Ų9817%0.16558%0.584CS.*Hα-helixtrans-71.5-38.9177.100000112.5P119 E120 F125 L126P119-G122 PolarHBondContact O-N 3.39Å; P119-G122 VanDerWaalsContact O-N 3.12Å; E120-G122 VanDerWaalsContact C-N 3.31Å; E120-G122 PolarHBondContact O-N 3.38Å; G122-F125 PolarHBondContact O-N 3.48Å; G122-L126 VanDerWaalsContact O-CG 3.29Å; G122-L126 WeakPolarHBondContact O-CG 3.42Å; G122-L126 PolarHBondContact O-N 3.33Å
123E51Low42.6Very low143 Ų14393.5 Ų93.567%0.66857%0.569SS**Hα-helixtrans-71.3-40.2177.6-67.3-155.6163.800112.6P119 E120 F125 L126 S127P119-E123 PolarHBondContact O-N 2.97Å; E120-E123 PolarHBondContact O-N 3.43Å; E123-F125 PolarHBondContact O-N 3.08Å; E123-L126 PolarHBondContact O-N 3.27Å; E123-S127 VanDerWaalsContact O-CB 3.3Å; E123-S127 WeakPolarHBondContact O-CB 3.46Å; E123-S127 PolarHBondContact O-N 3.27Å; E123-S127 PolarHBondContact O-OG 3.24Å
124L50.5Low43.1Very low116 Ų11694.9 Ų94.961%0.60757%0.569SS**Hα-helixtrans-62.8-32.4172.8-70.9169.7000112.3E120 S127 A128E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.13Å; E120-L124 VanDerWaalsContact O-N 3.11Å; L124-S127 WeakPolarHBondContact CA-OG 3.44Å; L124-S127 PolarHBondContact O-OG 2.99Å; L124-A128 WeakPolarHBondContact O-CB 3.26Å; L124-A128 PolarHBondContact O-N 3.17Å
125F52.8Low43.4Very low41 Ų4194.8 Ų94.818%0.1857%0.569CS.*Hα-helixtrans-73.7-45.4174.4179.1-91.9000112.5F22 L25 L51 A121 G122 E123 S127 A128 L129F22-F125 HydrophobicContact CB-CD1 4.48Å; F22-F125 HydrophobicContact CB-CE1 3.8Å; F22-F125 AromaticContact CD2-CD1 3.38Å; F22-F125 HydrophobicContact CD2-CD1 3.38Å; F22-F125 AromaticContact CD2-CE1 3.49Å; F22-F125 HydrophobicContact CD2-CE1 3.49Å; F22-F125 VanDerWaalsContact CD2-CE1 3.49Å; F22-F125 HydrophobicContact CD2-CG 4.25Å; F22-F125 HydrophobicContact CD2-CZ 4.46Å; F22-F125 HydrophobicContact CE2-CD1 4.04Å; F22-F125 HydrophobicContact CG-CD1 4.37Å; F22-F125 HydrophobicContact CG-CE1 4.13Å; L25-F125 HydrophobicContact CB-CE2 4.27Å; L25-F125 HydrophobicContact CB-CZ 4.3Å; L25-F125 HydrophobicContact CD1-CE2 3.96Å; L25-F125 HydrophobicContact CD1-CZ 3.86Å; L51-F125 HydrophobicContact CD2-CE2 4.34Å; L51-F125 HydrophobicContact CD2-CZ 4.16Å; A121-F125 WeakPolarHBondContact O-CB 3.37Å; A121-F125 PolarHBondContact O-N 3.33Å; A121-F125 VanDerWaalsContact O-N 3.17Å; G122-F125 PolarHBondContact O-N 3.48Å; E123-F125 PolarHBondContact O-N 3.08Å; F125-S127 VanDerWaalsContact C-N 3.27Å; F125-S127 PolarHBondContact O-N 3.34Å; F125-A128 PolarHBondContact O-N 2.82Å; F125-L129 HydrophobicContact CD1-CD1 3.7Å; F125-L129 HydrophobicContact CD1-CG 4.11Å; F125-L129 HydrophobicContact CE1-CD1 3.21Å; F125-L129 HydrophobicContact CE1-CD2 4.33Å; F125-L129 HydrophobicContact CE1-CG 3.74Å; F125-L129 HydrophobicContact CZ-CD1 3.96Å; F125-L129 HydrophobicContact CZ-CD2 4.27Å; F125-L129 HydrophobicContact CZ-CG 4.1Å; F125-L129 WeakPolarHBondContact O-CG 2.89Å; F125-L129 PolarHBondContact O-N 3.44Å
126L52Low43.3Very low90 Ų9094.9 Ų94.947%0.47157%0.567SS.*Hα-helixtrans-64.6-33.5176.4-70.4173.6000111.7G122 E123 L129 S130G122-L126 VanDerWaalsContact O-CG 3.29Å; G122-L126 WeakPolarHBondContact O-CG 3.42Å; G122-L126 PolarHBondContact O-N 3.33Å; E123-L126 PolarHBondContact O-N 3.27Å; L126-L129 HydrophobicContact CD2-CD1 4.15Å; L126-L129 PolarHBondContact O-N 3.47Å; L126-S130 VanDerWaalsContact O-CB 3.32Å; L126-S130 WeakPolarHBondContact O-CB 3.41Å; L126-S130 PolarHBondContact O-N 3.23Å; L126-S130 PolarHBondContact O-OG 2.92Å
127S53.5Low43.3Very low58 Ų5895.7 Ų95.741%0.40656%0.564SS.*Hα-helixtrans-70.7-40.4172.970.50000111.4E123 L124 F125 L129 S130 A131E123-S127 VanDerWaalsContact O-CB 3.3Å; E123-S127 WeakPolarHBondContact O-CB 3.46Å; E123-S127 PolarHBondContact O-N 3.27Å; E123-S127 PolarHBondContact O-OG 3.24Å; L124-S127 WeakPolarHBondContact CA-OG 3.44Å; L124-S127 PolarHBondContact O-OG 2.99Å; F125-S127 VanDerWaalsContact C-N 3.27Å; F125-S127 PolarHBondContact O-N 3.34Å; S127-L129 VanDerWaalsContact C-N 3.34Å; S127-L129 PolarHBondContact O-N 3.33Å; S127-S130 CarbonylContact O-C 3.56Å; S127-S130 WeakPolarHBondContact O-CA 2.99Å; S127-S130 PolarHBondContact O-N 3.23Å; S127-A131 WeakPolarHBondContact O-CB 3.45Å; S127-A131 PolarHBondContact O-N 2.83Å
128A50.6Low43Very low61 Ų6192.1 Ų92.150%0.50455%0.552SS.*Hα-helixtrans-63.3-35.6171.500000113.1L124 F125 S130L124-A128 WeakPolarHBondContact O-CB 3.26Å; L124-A128 PolarHBondContact O-N 3.17Å; F125-A128 PolarHBondContact O-N 2.82Å; A128-S130 VanDerWaalsContact C-N 3.27Å; A128-S130 PolarHBondContact O-N 3.22Å
129L49.9Very low43Very low26 Ų2696.3 Ų96.314%0.13657%0.571CS.*Hα-helixtrans-66.2-28.3170.3-75.7178.1000113.2Y18 L51 F125 L126 S127Y18-L129 HydrophobicContact CD1-CD1 4.2Å; L51-L129 HydrophobicContact CD1-CD2 4.32Å; L51-L129 HydrophobicContact CD2-CD2 3.71Å; F125-L129 HydrophobicContact CD1-CD1 3.7Å; F125-L129 HydrophobicContact CD1-CG 4.11Å; F125-L129 HydrophobicContact CE1-CD1 3.21Å; F125-L129 HydrophobicContact CE1-CD2 4.33Å; F125-L129 HydrophobicContact CE1-CG 3.74Å; F125-L129 HydrophobicContact CZ-CD1 3.96Å; F125-L129 HydrophobicContact CZ-CD2 4.27Å; F125-L129 HydrophobicContact CZ-CG 4.1Å; F125-L129 WeakPolarHBondContact O-CG 2.89Å; F125-L129 PolarHBondContact O-N 3.44Å; L126-L129 HydrophobicContact CD2-CD1 4.15Å; L126-L129 PolarHBondContact O-N 3.47Å; S127-L129 VanDerWaalsContact C-N 3.34Å; S127-L129 PolarHBondContact O-N 3.33Å
130S50.9Low43.2Very low105 Ų105100.6 Ų100.673%0.73457%0.573SS**Hα-helixtrans-91.6-26.5-178.4-59.30000112.9L126 S127 A128L126-S130 VanDerWaalsContact O-CB 3.32Å; L126-S130 WeakPolarHBondContact O-CB 3.41Å; L126-S130 PolarHBondContact O-N 3.23Å; L126-S130 PolarHBondContact O-OG 2.92Å; S127-S130 CarbonylContact O-C 3.56Å; S127-S130 WeakPolarHBondContact O-CA 2.99Å; S127-S130 PolarHBondContact O-N 3.23Å; A128-S130 VanDerWaalsContact C-N 3.27Å; A128-S130 PolarHBondContact O-N 3.22Å
131A46Very low43.7Very low77 Ų7797 Ų9764%0.63656%0.561SS**Hα-helixtrans-95.5-11.3-170.300000114.9S127S127-A131 WeakPolarHBondContact O-CB 3.45Å; S127-A131 PolarHBondContact O-N 2.83Å
132D39.8Very low43.6Very low135 Ų13597.8 Ų97.872%0.72256%0.562SS**SBendtrans-141.176.2-179.3-98.1-33.1000114.5
133V42Very low43.7Very low87 Ų87101.7 Ų101.753%0.52759%0.585SS.*  trans-15764.2137.8-1690000109.1
134I32.8Very low43.7Very low164 Ų16499.5 Ų99.584%0.84159%0.585SS**  trans-119.275153.4-53.3178.3000106.5
135Q34.5Very low44Very low170 Ų170100.6 Ų100.679%0.79459%0.587SS**PPolyproline II helixtrans-87.3135.3146.4-88.9-173.7-12.100106.6
136P28.4Very low44.3Very low108 Ų108100.2 Ų100.270%0.70159%0.586SS**PPolyproline II helixtrans-53.9138168.824.3-31.6000107.9S138P136-S138 PolarHBondContact O-N 3.31Å; P136-S138 VanDerWaalsContact O-N 3.08Å
137P28.6Very low45.3Very low114 Ų11499.2 Ų99.274%0.7459%0.587SS**PPolyproline II helixtrans-54.2124.3171.923.1-30.9000107.5
138S31.1Very low45.9Very low76 Ų76100.3 Ų100.353%0.53160%0.6SS.*PPolyproline II helixtrans-46.5136.5164.761.90000107.6P136 R140P136-S138 PolarHBondContact O-N 3.31Å; P136-S138 VanDerWaalsContact O-N 3.08Å; S138-R140 WeakPolarHBondContact O-CG 3.48Å; S138-R140 PolarHBondContact O-N 2.91Å
139P34.1Very low46.7Very low131 Ų131105.4 Ų105.485%0.85161%0.613SS**  trans-56.1104.4-177.221.2-30.9000109.3V141P139-V141 PolarHBondContact O-N 3.37Å
140R45.6Very low47.1Very low206 Ų206106 Ų10678%0.77762%0.615SS**  trans-91.2106.3177.4-73.3-175.3-170.6-174.52.6106.8S138S138-R140 WeakPolarHBondContact O-CG 3.48Å; S138-R140 PolarHBondContact O-N 2.91Å
141V50Low47.7Very low71 Ų71107 Ų10743%0.4360%0.603SS.*  trans-55.7128.6169.61780000108.7P139 Q145 L146P139-V141 PolarHBondContact O-N 3.37Å; V141-Q145 HydrophobicContact CG1-CB 3.47Å; V141-Q145 VanDerWaalsContact CG1-CB 3.47Å; V141-L146 HydrophobicContact CB-CD2 4.21Å; V141-L146 HydrophobicContact CG1-CD2 4.09Å
142P44.4Very low48.6Very low59 Ų59107.3 Ų107.338%0.38359%0.591SS.*  trans-54.7149.1178.3-25.533.4000112.2S144 Q145P142-S144 PolarHBondContact O-N 3.15Å; P142-Q145 PolarHBondContact O-N 3.32Å
143P48.5Very low50.2Low98 Ų98107.2 Ų107.264%0.63658%0.581SS**G310 helixtrans-53.6-31.8-179-25.133.2000113.3Q145 L146 R151P143-Q145 PolarHBondContact O-N 2.8Å; P143-L146 PolarHBondContact O-N 2.94Å; P143-R151 VanDerWaalsContact O-CZ 3.29Å; P143-R151 PolarHBondContact O-NE 3.23Å; P143-R151 VanDerWaalsContact O-NE 3.14Å; P143-R151 PolarHBondContact O-NH2 3.42Å
144S52.1Low51.3Low96 Ų96107.7 Ų107.767%0.67157%0.573SS**G310 helixtrans-64.3-17.7178.949.40000114.9P142P142-S144 PolarHBondContact O-N 3.15Å
145Q56.8Low53Low140 Ų140105.2 Ų105.265%0.65456%0.556SS**G310 helixtrans-108.79.3-176.6-69.2177.7-6.100113.6V141 P142 P143V141-Q145 HydrophobicContact CG1-CB 3.47Å; V141-Q145 VanDerWaalsContact CG1-CB 3.47Å; P142-Q145 PolarHBondContact O-N 3.32Å; P143-Q145 PolarHBondContact O-N 2.8Å
146L58.2Low54.4Low32 Ų32105.4 Ų105.417%0.16855%0.55CS..SBendtrans-94134.9178.5-59.9175000110.8V141 P143 E150 R151V141-L146 HydrophobicContact CB-CD2 4.21Å; V141-L146 HydrophobicContact CG1-CD2 4.09Å; P143-L146 PolarHBondContact O-N 2.94Å; L146-E150 HydrophobicContact CD2-CG 4.1Å; L146-R151 HydrophobicContact CB-CG 3.85Å; L146-R151 HydrophobicContact CD1-CG 4.37Å
147S72.8Confident56.1Low69 Ų69103.8 Ų103.848%0.48353%0.533SS..  trans-60.8154.3170.269.40000110.9E149 E150 R151S147-E149 PolarHBondContact O-N 2.92Å; S147-E150 PolarHBondContact O-N 2.78Å; S147-E150 VanDerWaalsContact O-N 3.16Å; S147-E150 PolarHBondContact OG-N 3.13Å; S147-R151 PolarHBondContact O-N 3.08Å; S147-R151 VanDerWaalsContact O-N 3.08Å
148A67.2Low57.5Low82 Ų82103.3 Ų103.368%0.67852%0.524SS*.Hα-helixtrans-57.4-35.8179.500000112.1R151 E152A148-R151 PolarHBondContact O-N 2.83Å; A148-E152 PolarHBondContact O-N 3.45Å; A148-E152 VanDerWaalsContact O-N 3.08Å
149E67.9Low59.2Low167 Ų167105 Ų10578%0.7853%0.527SS*.Hα-helixtrans-66.3-42.3177.4-63.9-180166.200112.4S147 R151 E152 R153S147-E149 PolarHBondContact O-N 2.92Å; E149-R151 VanDerWaalsContact C-N 3.34Å; E149-R151 PolarHBondContact O-N 2.79Å; E149-E152 PolarHBondContact O-N 3.36Å; E149-R153 WeakPolarHBondContact O-CB 3.33Å; E149-R153 PolarHBondContact O-N 3.48Å
150E57.2Low60.4Low39 Ų39104.2 Ų104.218%0.18251%0.511CS..Hα-helixtrans-70.4-31.4178.2179.460.7-172.800111.9L146 S147 R153 R154L146-E150 HydrophobicContact CD2-CG 4.1Å; S147-E150 PolarHBondContact O-N 2.78Å; S147-E150 VanDerWaalsContact O-N 3.16Å; S147-E150 PolarHBondContact OG-N 3.13Å; E150-R153 VanDerWaalsContact CD-NH2 3.28Å; E150-R153 IonicContact OE1-CZ 3.37Å; E150-R153 IonicContact OE1-NE 2.7Å; E150-R153 IonicContact OE1-NH2 2.63Å; E150-R153 PolarHBondContact OE1-NH2 2.87Å; E150-R153 IonicContact OE2-CZ 2.62Å; E150-R153 IonicContact OE2-NE 3.64Å; E150-R153 PolarHBondContact OE2-NE 3.49Å; E150-R153 IonicContact OE2-NH2 3.43Å; E150-R153 PolarHBondContact OE2-NH2 2.97Å; E150-R154 WeakPolarHBondContact O-CB 3.44Å; E150-R154 VanDerWaalsContact O-CG 3.28Å; E150-R154 WeakPolarHBondContact O-CG 3.44Å; E150-R154 PolarHBondContact O-N 2.81Å; E150-R154 VanDerWaalsContact O-N 3.08Å; E150-R154 IonicContact OE1-CZ 3.53Å; E150-R154 IonicContact OE1-NE 3.79Å; E150-R154 PolarHBondContact OE1-NE 2.71Å; E150-R154 IonicContact OE1-NH2 2.71Å; E150-R154 PolarHBondContact OE1-NH2 2.9Å
151R63.5Low61Low127 Ų127100 Ų10048%0.47950%0.499SS..Hα-helixtrans-66.7-44.4172.6-72.7-178.1178.6177.84.7111.9P143 L146 S147 A148 E149 R154 K155P143-R151 VanDerWaalsContact O-CZ 3.29Å; P143-R151 PolarHBondContact O-NE 3.23Å; P143-R151 VanDerWaalsContact O-NE 3.14Å; P143-R151 PolarHBondContact O-NH2 3.42Å; L146-R151 HydrophobicContact CB-CG 3.85Å; L146-R151 HydrophobicContact CD1-CG 4.37Å; S147-R151 PolarHBondContact O-N 3.08Å; S147-R151 VanDerWaalsContact O-N 3.08Å; A148-R151 PolarHBondContact O-N 2.83Å; E149-R151 VanDerWaalsContact C-N 3.34Å; E149-R151 PolarHBondContact O-N 2.79Å; R151-R154 PolarHBondContact O-N 3.33Å; R151-K155 WeakPolarHBondContact O-CB 3.34Å; R151-K155 PolarHBondContact O-N 2.81Å
152E65.4Low61.3Low82 Ų82103.3 Ų103.338%0.38351%0.507SS..Hα-helixtrans-69-37.8177.3-87.6-64.3141.900112.1A148 E149 R154 K155 R156A148-E152 PolarHBondContact O-N 3.45Å; A148-E152 VanDerWaalsContact O-N 3.08Å; E149-E152 PolarHBondContact O-N 3.36Å; E152-R154 PolarHBondContact O-N 3.41Å; E152-K155 PolarHBondContact O-N 3.08Å; E152-K155 WeakPolarHBondContact OE1-CD 3.43Å; E152-K155 IonicContact OE1-NZ 3.46Å; E152-K155 PolarHBondContact OE1-NZ 3.04Å; E152-R156 WeakPolarHBondContact O-CG 3.31Å; E152-R156 PolarHBondContact O-N 2.85Å
153R72.3Confident61.4Low134 Ų134103.7 Ų103.751%0.50652%0.515SS..Hα-helixtrans-58-48.1172.2-170.217871.4136.74.3111.6E149 E150 K155 R156 E157E149-R153 WeakPolarHBondContact O-CB 3.33Å; E149-R153 PolarHBondContact O-N 3.48Å; E150-R153 VanDerWaalsContact CD-NH2 3.28Å; E150-R153 IonicContact OE1-CZ 3.37Å; E150-R153 IonicContact OE1-NE 2.7Å; E150-R153 IonicContact OE1-NH2 2.63Å; E150-R153 PolarHBondContact OE1-NH2 2.87Å; E150-R153 IonicContact OE2-CZ 2.62Å; E150-R153 IonicContact OE2-NE 3.64Å; E150-R153 PolarHBondContact OE2-NE 3.49Å; E150-R153 IonicContact OE2-NH2 3.43Å; E150-R153 PolarHBondContact OE2-NH2 2.97Å; R153-K155 VanDerWaalsContact C-N 3.34Å; R153-K155 PolarHBondContact O-N 3.46Å; R153-R156 PolarHBondContact O-N 3.3Å; R153-E157 WeakPolarHBondContact O-CG 3.27Å; R153-E157 PolarHBondContact O-N 2.62Å
154R66.5Low61.6Low96 Ų96107.5 Ų107.536%0.36252%0.517SS..Hα-helixtrans-66.2-33.9177.7-72179-172.3-163.54.3113.1E150 R151 E152 N158E150-R154 WeakPolarHBondContact O-CB 3.44Å; E150-R154 VanDerWaalsContact O-CG 3.28Å; E150-R154 WeakPolarHBondContact O-CG 3.44Å; E150-R154 PolarHBondContact O-N 2.81Å; E150-R154 VanDerWaalsContact O-N 3.08Å; E150-R154 IonicContact OE1-CZ 3.53Å; E150-R154 IonicContact OE1-NE 3.79Å; E150-R154 PolarHBondContact OE1-NE 2.71Å; E150-R154 IonicContact OE1-NH2 2.71Å; E150-R154 PolarHBondContact OE1-NH2 2.9Å; R151-R154 PolarHBondContact O-N 3.33Å; E152-R154 PolarHBondContact O-N 3.41Å; R154-N158 VanDerWaalsContact O-CB 3.26Å; R154-N158 WeakPolarHBondContact O-CB 3.42Å; R154-N158 VanDerWaalsContact O-CG 3.3Å; R154-N158 PolarHBondContact O-N 3.43Å; R154-N158 PolarHBondContact O-ND2 3.07Å
155K67.1Low61.3Low113 Ų113106.7 Ų106.749%0.49151%0.511SS..Hα-helixtrans-68-42.7175.1-174.4179.5167-1650111.2R151 E152 R153 N158 L159R151-K155 WeakPolarHBondContact O-CB 3.34Å; R151-K155 PolarHBondContact O-N 2.81Å; E152-K155 PolarHBondContact O-N 3.08Å; E152-K155 WeakPolarHBondContact OE1-CD 3.43Å; E152-K155 IonicContact OE1-NZ 3.46Å; E152-K155 PolarHBondContact OE1-NZ 3.04Å; R153-K155 VanDerWaalsContact C-N 3.34Å; R153-K155 PolarHBondContact O-N 3.46Å; K155-N158 PolarHBondContact O-N 3.35Å; K155-L159 HydrophobicContact CG-CD1 4.22Å; K155-L159 WeakPolarHBondContact O-CB 3.32Å; K155-L159 WeakPolarHBondContact O-CD1 3.35Å; K155-L159 PolarHBondContact O-N 3.04Å
156R64.6Low60.7Low173 Ų173110.6 Ų110.665%0.65352%0.52SS*.Hα-helixtrans-63.8-47.6173.6-72.4-177.4-173.3-166.71.3111.8E152 R153 N158 L159 E160E152-R156 WeakPolarHBondContact O-CG 3.31Å; E152-R156 PolarHBondContact O-N 2.85Å; R153-R156 PolarHBondContact O-N 3.3Å; R156-N158 VanDerWaalsContact C-N 3.3Å; R156-N158 PolarHBondContact O-N 2.71Å; R156-L159 PolarHBondContact O-N 3.37Å; R156-E160 WeakPolarHBondContact O-CB 3.36Å; R156-E160 WeakPolarHBondContact O-CG 3.26Å; R156-E160 PolarHBondContact O-N 3.31Å
157E64.6Low59.7Low75 Ų75112.3 Ų112.335%0.3555%0.546SS..Hα-helixtrans-61.1-36.6175.7-76.9-175.3-173.900112.8R153 K161R153-E157 WeakPolarHBondContact O-CG 3.27Å; R153-E157 PolarHBondContact O-N 2.62Å; E157-K161 VanDerWaalsContact O-CB 3.31Å; E157-K161 WeakPolarHBondContact O-CB 3.28Å; E157-K161 VanDerWaalsContact O-CG 3.25Å; E157-K161 WeakPolarHBondContact O-CG 3.27Å; E157-K161 PolarHBondContact O-N 2.88Å
158N58.2Low58.1Low103 Ų103116.3 Ų116.355%0.55156%0.557SS**Hα-helixtrans-72.3-37.4175.7-82-28000112.3R154 K155 R156 K162R154-N158 VanDerWaalsContact O-CB 3.26Å; R154-N158 WeakPolarHBondContact O-CB 3.42Å; R154-N158 VanDerWaalsContact O-CG 3.3Å; R154-N158 PolarHBondContact O-N 3.43Å; R154-N158 PolarHBondContact O-ND2 3.07Å; K155-N158 PolarHBondContact O-N 3.35Å; R156-N158 VanDerWaalsContact C-N 3.3Å; R156-N158 PolarHBondContact O-N 2.71Å; N158-K162 VanDerWaalsContact O-CB 3.23Å; N158-K162 WeakPolarHBondContact O-CB 3.1Å; N158-K162 PolarHBondContact O-N 3.38Å
159L65.3Low56.7Low113 Ų113115.5 Ų115.559%0.59256%0.556SS**Hα-helixtrans-65.4-42.1172.4-104.383.3000111.3K155 R156 K162 A163K155-L159 HydrophobicContact CG-CD1 4.22Å; K155-L159 WeakPolarHBondContact O-CB 3.32Å; K155-L159 WeakPolarHBondContact O-CD1 3.35Å; K155-L159 PolarHBondContact O-N 3.04Å; R156-L159 PolarHBondContact O-N 3.37Å; L159-K162 PolarHBondContact O-N 2.87Å; L159-A163 WeakPolarHBondContact O-CB 3.46Å; L159-A163 PolarHBondContact O-N 3.18Å
160E60.1Low55.4Low113 Ų113113.1 Ų113.153%0.52857%0.565SS.*Hα-helixtrans-66.1-40.6176.1-76.4-177.3177.100111.9R156 K162 A163 R164R156-E160 WeakPolarHBondContact O-CB 3.36Å; R156-E160 WeakPolarHBondContact O-CG 3.26Å; R156-E160 PolarHBondContact O-N 3.31Å; E160-K162 VanDerWaalsContact C-N 3.33Å; E160-A163 PolarHBondContact O-N 2.76Å; E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 VanDerWaalsContact O-CG 3.27Å; E160-R164 WeakPolarHBondContact O-CG 3.35Å; E160-R164 PolarHBondContact O-N 2.88Å
161K58.2Low54.9Low117 Ų117117.2 Ų117.251%0.50959%0.589SS.*Hα-helixtrans-63.3-38.9171.8-78.7168.5-177.9157.40111.8E157 S165E157-K161 VanDerWaalsContact O-CB 3.31Å; E157-K161 WeakPolarHBondContact O-CB 3.28Å; E157-K161 VanDerWaalsContact O-CG 3.25Å; E157-K161 WeakPolarHBondContact O-CG 3.27Å; E157-K161 PolarHBondContact O-N 2.88Å; K161-S165 WeakPolarHBondContact O-CB 3.31Å; K161-S165 PolarHBondContact O-N 2.97Å; K161-S165 PolarHBondContact O-OG 3.01Å
162K57.2Low54.6Low142 Ų142112.1 Ų112.162%0.61758%0.575SS**Hα-helixtrans-68.2-37.8176.1-167.5173-177.7178.30111.8N158 L159 E160 S165 R166N158-K162 VanDerWaalsContact O-CB 3.23Å; N158-K162 WeakPolarHBondContact O-CB 3.1Å; N158-K162 PolarHBondContact O-N 3.38Å; L159-K162 PolarHBondContact O-N 2.87Å; E160-K162 VanDerWaalsContact C-N 3.33Å; K162-S165 PolarHBondContact O-N 3.15Å; K162-S165 PolarHBondContact O-OG 3.09Å; K162-R166 PolarHBondContact O-N 3.13Å
163A46.5Very low55.2Low66 Ų66110.5 Ų110.555%0.54557%0.571SS.*Hα-helixtrans-68.8-42.4174.800000112L159 E160 S165 R166L159-A163 WeakPolarHBondContact O-CB 3.46Å; L159-A163 PolarHBondContact O-N 3.18Å; E160-A163 PolarHBondContact O-N 2.76Å; A163-S165 VanDerWaalsContact C-N 3.33Å; A163-S165 PolarHBondContact O-N 3.25Å; A163-R166 PolarHBondContact O-N 2.86Å
164R51.3Low56Low179 Ų179104.3 Ų104.368%0.67555%0.548SS*.Hα-helixtrans-64.2-35.6174.7-71.1175.1-173.1-130.14.8112.4E160 R166 G167 E168E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 VanDerWaalsContact O-CG 3.27Å; E160-R164 WeakPolarHBondContact O-CG 3.35Å; E160-R164 PolarHBondContact O-N 2.88Å; R164-R166 VanDerWaalsContact C-N 3.25Å; R164-R166 PolarHBondContact O-N 3.06Å; R164-G167 PolarHBondContact O-N 2.95Å; R164-E168 PolarHBondContact O-N 3.45Å
165S46.3Very low57.3Low79 Ų79101.5 Ų101.555%0.55254%0.543SS*.Hα-helixtrans-69.2-16.9176.571.70000115K161 K162 A163K161-S165 WeakPolarHBondContact O-CB 3.31Å; K161-S165 PolarHBondContact O-N 2.97Å; K161-S165 PolarHBondContact O-OG 3.01Å; K162-S165 PolarHBondContact O-N 3.15Å; K162-S165 PolarHBondContact O-OG 3.09Å; A163-S165 VanDerWaalsContact C-N 3.33Å; A163-S165 PolarHBondContact O-N 3.25Å
166R45.4Very low58.5Low221 Ų22196.8 Ų96.883%0.83452%0.524SS*.THydrogen-bonded Turntrans-82.1-15.7174-79.5-176167.8-167-4.8113.2K162 A163 R164K162-R166 PolarHBondContact O-N 3.13Å; A163-R166 PolarHBondContact O-N 2.86Å; R164-R166 VanDerWaalsContact C-N 3.25Å; R164-R166 PolarHBondContact O-N 3.06Å
167G35.7Very low59.9Low69 Ų6990.8 Ų90.871%0.71150%0.504SS*.THydrogen-bonded Turntrans-111.4-6.3-174.500000115.6R164R164-G167 PolarHBondContact O-N 2.95Å
168E39.9Very low61.4Low152 Ų15290.7 Ų90.771%0.7151%0.509SS*.SBendtrans-93.1117172.2-71.3-175.5170.200108.8R164R164-E168 PolarHBondContact O-N 3.45Å
169G36.9Very low63.2Low65 Ų6587.2 Ų87.267%0.6749%0.493SS*.  trans-44.3153.1-165.500000117.1D171G169-D171 PolarHBondContact O-N 2.84Å
170A40.9Very low64.5Low117 Ų11789.9 Ų89.997%0.96750%0.496SS*.SBendtrans-58.944.9173.700000114.6G172A170-G172 VanDerWaalsContact C-N 3.3Å
171D47.8Very low66.1Low126 Ų12685.2 Ų85.267%0.67448%0.475SS*.  trans-101.624.4-179.4-153.727.8000110.5G169G169-D171 PolarHBondContact O-N 2.84Å
172G56.1Low67.7Low19 Ų1981.6 Ų81.620%0.19646%0.463CS..  trans-100.292.9-179.300000111.2A170 F174A170-G172 VanDerWaalsContact C-N 3.3Å; G172-F174 PolarHBondContact O-N 2.8Å; G172-F174 VanDerWaalsContact O-N 3.08Å
173V77.8Confident69.3Low49 Ų4975.5 Ų75.530%0.29744%0.438SS..SBendtrans-63.8-13.7-176.8-177.80000113.5S24 G28 L29 Q30 V31S24-V173 WeakPolarHBondContact O-CG1 3.43Å; S24-V173 WeakPolarHBondContact OG-CB 3.4Å; S24-V173 WeakPolarHBondContact OG-CG1 3.45Å; S24-V173 PolarHBondContact OG-O 3.3Å; G28-V173 VanDerWaalsContact C-CG1 3.46Å; G28-V173 WeakPolarHBondContact O-CG1 3.15Å; L29-V173 WeakPolarHBondContact O-CG1 3.37Å; Q30-V173 CarbonylContact C-O 3.51Å; Q30-V173 WeakPolarHBondContact CA-O 3.41Å; V31-V173 PolarHBondContact N-O 3.28Å
174F90.3Very high71.4Confident3 Ų376.1 Ų76.11%0.01343%0.43CS..EExtended strand (participates in β ladder)trans-124.6129.3171.6170-135.6000112.3S20 S24 V31 A44 N48 G172 P176S20-F174 VanDerWaalsContact CB-CD2 3.43Å; S24-F174 PolarHBondContact OG-N 3.03Å; V31-F174 HydrophobicContact CB-CD2 4.2Å; V31-F174 HydrophobicContact CG1-CD2 4.4Å; V31-F174 CarbonylContact O-C 3.47Å; V31-F174 WeakPolarHBondContact O-CA 3.29Å; V31-F174 WeakPolarHBondContact O-CD2 3.15Å; A44-F174 HydrophobicContact CB-CE1 4.25Å; A44-F174 HydrophobicContact CB-CZ 4.31Å; N48-F174 HydrophobicContact CB-CD1 4.05Å; N48-F174 HydrophobicContact CB-CE1 4.48Å; N48-F174 PolarHBondContact ND2-O 3.16Å; G172-F174 PolarHBondContact O-N 2.8Å; G172-F174 VanDerWaalsContact O-N 3.08Å; F174-P176 HydrophobicContact CE1-CB 4.36Å; F174-P176 HydrophobicContact CE1-CG 4.36Å; F174-P176 HydrophobicContact CE2-CB 4.21Å; F174-P176 HydrophobicContact CZ-CB 3.75Å; F174-P176 HydrophobicContact CZ-CG 4.2Å
175S92.8Very high73.3Confident37 Ų3768.6 Ų68.626%0.25940%0.404SS..EExtended strand (participates in β ladder)trans-124.7100.5-179.2-68.50000111.7V31 F32 G33V31-S175 PolarHBondContact O-N 3.39Å; F32-S175 WeakPolarHBondContact CA-O 3.17Å; G33-S175 PolarHBondContact N-O 3.47Å
176P93.6Very high75.5Confident15 Ų1569.6 Ų69.610%0.09740%0.4CS..EExtended strand (participates in β ladder)trans-78.5131.1173.829.3-35.5000112.5G33 A44 Q45 F174G33-P176 CarbonylContact O-C 3.29Å; G33-P176 VanDerWaalsContact O-CA 3.32Å; G33-P176 WeakPolarHBondContact O-CA 3.34Å; A44-P176 HydrophobicContact CB-CB 4.11Å; Q45-P176 HydrophobicContact CB-CG 4.23Å; Q45-P176 HydrophobicContact CG-CB 4.21Å; Q45-P176 HydrophobicContact CG-CG 3.19Å; F174-P176 HydrophobicContact CE1-CB 4.36Å; F174-P176 HydrophobicContact CE1-CG 4.36Å; F174-P176 HydrophobicContact CE2-CB 4.21Å; F174-P176 HydrophobicContact CZ-CB 3.75Å; F174-P176 HydrophobicContact CZ-CG 4.2Å
177L94.3Very high77.8Confident46 Ų4659.1 Ų59.124%0.24136%0.36CS..EExtended strand (participates in β ladder)trans-123.9139-175.8-58.7174.9000110.2F32 G33 I34 D35 T41 L190 I191F32-L177 HydrophobicContact CB-CD1 4.37Å; F32-L177 HydrophobicContact CD1-CD1 4.31Å; G33-L177 PolarHBondContact O-N 3.45Å; I34-L177 WeakPolarHBondContact CA-O 3.34Å; I34-L177 HydrophobicContact CG1-CB 4.32Å; I34-L177 HydrophobicContact CG1-CD1 4.31Å; D35-L177 PolarHBondContact N-O 2.9Å; D35-L177 VanDerWaalsContact N-O 3.1Å; T41-L177 WeakPolarHBondContact CG2-O 3.23Å; L177-L190 HydrophobicContact CD1-CB 4.45Å; L177-I191 HydrophobicContact CD1-CD1 4.42Å; L177-I191 HydrophobicContact CD1-CG1 3.7Å
178T96.1Very high80.5Confident73 Ų7362 Ų6245%0.44835%0.35SS..EExtended strand (participates in β ladder)trans-100.7107.7177.7-480000109.7D35 T41D35-T178 CarbonylContact O-C 3.57Å; D35-T178 VanDerWaalsContact O-CA 3.3Å; D35-T178 WeakPolarHBondContact O-CA 3.4Å; T41-T178 WeakPolarHBondContact CB-OG1 3.5Å; T41-T178 WeakPolarHBondContact CG2-OG1 2.96Å; T41-T178 PolarHBondContact OG1-OG1 2.86Å
179S95.3Very high83Confident30 Ų3061 Ų6121%0.2135%0.349CS..  trans-159.5149.8176.4-1690000111D35 S36D35-S179 CarbonylContact C-O 3.56Å; D35-S179 VanDerWaalsContact C-O 3.29Å; D35-S179 PolarHBondContact O-N 2.91Å; S36-S179 WeakPolarHBondContact CA-O 3.43Å; S36-S179 PolarHBondContact N-O 3.1Å
180Y93Very high85.7Confident170 Ų17060.4 Ų60.467%0.66733%0.33SS*.  trans-85.9127.8170.2-169.7-97.8000109.1T182Y180-T182 HydrophobicContact CD1-CG2 3.71Å; Y180-T182 HydrophobicContact CE1-CG2 3.6Å
181V92.6Very high88.1Confident14 Ų1454.9 Ų54.99%0.08528%0.284CS..  trans-105.6126.1-174.5-179.90000110.3V12 I34 L208 M215V12-V181 HydrophobicContact CG1-CG1 4.4Å; I34-V181 HydrophobicContact CB-CG2 4.23Å; I34-V181 HydrophobicContact CG2-CG2 3.52Å; V181-L208 HydrophobicContact CB-CD1 4.07Å; V181-L208 HydrophobicContact CG1-CD1 4.14Å; V181-M215 HydrophobicContact CG1-CE 4.13Å; V181-M215 HydrophobicContact CG1-SD 3.62Å
182T92.3Very high90.1Very high41 Ų4155 Ų5525%0.25229%0.29SS..  trans-124.6175.2172.373.40000110.4Y180 E184 T185 M215Y180-T182 HydrophobicContact CD1-CG2 3.71Å; Y180-T182 HydrophobicContact CE1-CG2 3.6Å; T182-E184 WeakPolarHBondContact CB-OE2 3.47Å; T182-E184 PolarHBondContact O-N 3.25Å; T182-E184 PolarHBondContact OG1-N 3.37Å; T182-E184 PolarHBondContact OG1-OE2 3.3Å; T182-T185 PolarHBondContact N-OG1 3.28Å; T182-T185 WeakPolarHBondContact O-CB 3.37Å; T182-T185 PolarHBondContact O-N 3.08Å; T182-T185 PolarHBondContact O-OG1 2.97Å; T182-T185 PolarHBondContact OG1-N 3.34Å; T182-T185 PolarHBondContact OG1-OG1 3.5Å; T182-M215 VanDerWaalsContact O-SD 3.38Å
183S90.4Very high91.6Very high14 Ų1458.3 Ų58.310%0.09830%0.3CS..THydrogen-bonded Turntrans-58-31.2174.721.30000113.3K219S183-K219 PolarHBondContact O-NZ 2.88Å
184E90.5Very high92.2Very high80 Ų8056.4 Ų56.437%0.37429%0.288SS..THydrogen-bonded Turntrans-90.1-5.2-175.5-51.167.8-139.800112.6T182 E186 T250T182-E184 WeakPolarHBondContact CB-OE2 3.47Å; T182-E184 PolarHBondContact O-N 3.25Å; T182-E184 PolarHBondContact OG1-N 3.37Å; T182-E184 PolarHBondContact OG1-OE2 3.3Å; E184-E186 PolarHBondContact O-N 3.02Å; E184-T250 VanDerWaalsContact CD-CG2 3.47Å; E184-T250 HydrophobicContact CG-CG2 3.91Å; E184-T250 WeakPolarHBondContact OE1-CG2 3.15Å
185T91.3Very high92.2Very high20 Ų2062.5 Ų62.512%0.12332%0.317CS..  trans-64.7120.2-179.1-620000110.6T182 L187 L190 K219T182-T185 PolarHBondContact N-OG1 3.28Å; T182-T185 WeakPolarHBondContact O-CB 3.37Å; T182-T185 PolarHBondContact O-N 3.08Å; T182-T185 PolarHBondContact O-OG1 2.97Å; T182-T185 PolarHBondContact OG1-N 3.34Å; T182-T185 PolarHBondContact OG1-OG1 3.5Å; T185-L187 PolarHBondContact O-N 3.02Å; T185-L190 HydrophobicContact CG2-CD1 3.79Å; T185-K219 WeakPolarHBondContact O-CE 3.47Å; T185-K219 PolarHBondContact O-NZ 3.39Å
186E93.5Very high92.2Very high101 Ų10163.5 Ų63.547%0.47232%0.318SS..  trans-78117.3175.2-67.4-53.7136.400110.7E184 R188 D189E184-E186 PolarHBondContact O-N 3.02Å; E186-R188 VanDerWaalsContact C-N 3.29Å; E186-R188 PolarHBondContact O-N 3Å; E186-D189 HydrophobicContact CB-CB 4.49Å; E186-D189 PolarHBondContact O-N 3.43Å
187L93.1Very high92.2Very high0 Ų062.8 Ų62.80%031%0.313CS..Hα-helixtrans-69.9-29.7-174-71.5174.1000112.1I10 I34 T185 D189 L190 I191 L194 M199 M215 K219 L222I10-L187 HydrophobicContact CD1-CD1 3.8Å; I10-L187 HydrophobicContact CD1-CD2 4.3Å; I10-L187 HydrophobicContact CG2-CD2 4.44Å; I34-L187 HydrophobicContact CD1-CD2 4.33Å; T185-L187 PolarHBondContact O-N 3.02Å; L187-D189 VanDerWaalsContact C-N 3.27Å; L187-D189 PolarHBondContact O-N 3.14Å; L187-L190 PolarHBondContact O-N 3.19Å; L187-I191 PolarHBondContact O-N 3.49Å; L187-L194 HydrophobicContact CB-CD2 3.47Å; L187-L194 VanDerWaalsContact CB-CD2 3.47Å; L187-L194 HydrophobicContact CD1-CD2 4.49Å; L187-M199 HydrophobicContact CD1-CE 3.96Å; L187-M199 HydrophobicContact CD2-CE 4.46Å; L187-M215 HydrophobicContact CD1-CE 4.1Å; L187-M215 HydrophobicContact CD2-CE 3.6Å; L187-M215 HydrophobicContact CG-CE 3.73Å; L187-K219 HydrophobicContact CD1-CD 3.64Å; L187-K219 HydrophobicContact CG-CD 3.9Å; L187-L222 HydrophobicContact CD1-CD1 4.12Å; L187-L222 HydrophobicContact CD1-CD2 3.89Å; L187-L222 HydrophobicContact CD1-CG 4.2Å
188R92.8Very high92.3Very high130 Ų13062.2 Ų62.249%0.49131%0.311SS..Hα-helixtrans-68.4-26.5179.9-65.8-173.7176.6-75.2-6.1113.1E186 L190 I191 L194E186-R188 VanDerWaalsContact C-N 3.29Å; E186-R188 PolarHBondContact O-N 3Å; R188-L190 PolarHBondContact O-N 3.23Å; R188-I191 CarbonylContact O-C 3.59Å; R188-L194 HydrophobicContact CG-CB 4.48Å; R188-L194 HydrophobicContact CG-CD2 3.86Å; R188-L194 PolarHBondContact NH1-O 3.08Å; R188-L194 VanDerWaalsContact NH1-O 3.13Å
189D92.3Very high92.3Very high132 Ų13258.8 Ų58.871%0.70629%0.29SS*.Hα-helixtrans-71.1-26.1175.5-65-10.4000111.6E186 L187E186-D189 HydrophobicContact CB-CB 4.49Å; E186-D189 PolarHBondContact O-N 3.43Å; L187-D189 VanDerWaalsContact C-N 3.27Å; L187-D189 PolarHBondContact O-N 3.14Å
190L92.2Very high92.4Very high51 Ų5158.1 Ų58.127%0.26729%0.285SS..Hα-helixtrans-94.2-32.4179.2-56.8179.7000112.5I34 L177 T185 L187 R188I34-L190 HydrophobicContact CD1-CD1 4.08Å; L177-L190 HydrophobicContact CD1-CB 4.45Å; T185-L190 HydrophobicContact CG2-CD1 3.79Å; L187-L190 PolarHBondContact O-N 3.19Å; R188-L190 PolarHBondContact O-N 3.23Å
191I93.3Very high92.5Very high1 Ų150.2 Ų50.21%0.00526%0.255CS..  trans-129.597.1-175-54.7164.4000107.7I10 F32 L177 L187 R188 E193 L194I10-I191 HydrophobicContact CD1-CD1 4Å; I10-I191 HydrophobicContact CG1-CD1 4.05Å; F32-I191 HydrophobicContact CB-CD1 3.59Å; F32-I191 HydrophobicContact CB-CG1 4.18Å; F32-I191 HydrophobicContact CD1-CD1 4.19Å; F32-I191 HydrophobicContact CD1-CG1 3.95Å; F32-I191 HydrophobicContact CD1-CG2 3.95Å; F32-I191 HydrophobicContact CD2-CD1 3.99Å; F32-I191 HydrophobicContact CD2-CG2 4.09Å; F32-I191 HydrophobicContact CE1-CG2 3.68Å; F32-I191 HydrophobicContact CE2-CG2 3.81Å; F32-I191 HydrophobicContact CG-CD1 3.65Å; F32-I191 HydrophobicContact CG-CG1 3.96Å; F32-I191 HydrophobicContact CG-CG2 4.15Å; F32-I191 HydrophobicContact CZ-CG2 3.6Å; L177-I191 HydrophobicContact CD1-CD1 4.42Å; L177-I191 HydrophobicContact CD1-CG1 3.7Å; L187-I191 PolarHBondContact O-N 3.49Å; R188-I191 CarbonylContact O-C 3.59Å; I191-E193 VanDerWaalsContact C-N 3.27Å; I191-E193 HydrophobicContact CG2-CG 4.26Å; I191-E193 PolarHBondContact O-N 3.24Å; I191-L194 HydrophobicContact CB-CB 4.13Å; I191-L194 HydrophobicContact CD1-CD1 4.49Å; I191-L194 HydrophobicContact CG2-CB 3.95Å; I191-L194 HydrophobicContact CG2-CD1 4.47Å; I191-L194 VanDerWaalsContact O-CB 3.26Å; I191-L194 WeakPolarHBondContact O-CB 3.38Å; I191-L194 PolarHBondContact O-N 3.39Å
192T88.5Confident92.4Very high129 Ų12953.7 Ų53.779%0.79127%0.272SS*.THydrogen-bonded Turntrans-65.5-32.1-176.142.90000113.1L194T192-L194 VanDerWaalsContact C-N 3.31Å; T192-L194 PolarHBondContact O-N 3.28Å
193E88Confident92.4Very high89 Ų8957.3 Ų57.342%0.41629%0.286SS..THydrogen-bonded Turntrans-93.826.5-178.864.7-85.7-157.600112.6Q8 F32 I191 E195Q8-E193 PolarHBondContact NE2-O 2.94Å; F32-E193 HydrophobicContact CE1-CG 4.45Å; F32-E193 VanDerWaalsContact CE1-OE1 3.28Å; F32-E193 WeakPolarHBondContact CE1-OE1 3.34Å; F32-E193 HydrophobicContact CZ-CG 3.89Å; I191-E193 VanDerWaalsContact C-N 3.27Å; I191-E193 HydrophobicContact CG2-CG 4.26Å; I191-E193 PolarHBondContact O-N 3.24Å; E193-E195 PolarHBondContact O-N 3.09Å
194L89.9Confident92.5Very high8 Ų856.7 Ų56.74%0.04228%0.282CS..  trans-70.1119-175.2-178.762.8000112.7I10 L187 R188 I191 T192 A197 E221I10-L194 HydrophobicContact CD1-CD1 3.75Å; L187-L194 HydrophobicContact CB-CD2 3.47Å; L187-L194 VanDerWaalsContact CB-CD2 3.47Å; L187-L194 HydrophobicContact CD1-CD2 4.49Å; R188-L194 HydrophobicContact CG-CB 4.48Å; R188-L194 HydrophobicContact CG-CD2 3.86Å; R188-L194 PolarHBondContact NH1-O 3.08Å; R188-L194 VanDerWaalsContact NH1-O 3.13Å; I191-L194 HydrophobicContact CB-CB 4.13Å; I191-L194 HydrophobicContact CD1-CD1 4.49Å; I191-L194 HydrophobicContact CG2-CB 3.95Å; I191-L194 HydrophobicContact CG2-CD1 4.47Å; I191-L194 VanDerWaalsContact O-CB 3.26Å; I191-L194 WeakPolarHBondContact O-CB 3.38Å; I191-L194 PolarHBondContact O-N 3.39Å; T192-L194 VanDerWaalsContact C-N 3.31Å; T192-L194 PolarHBondContact O-N 3.28Å; L194-A197 HydrophobicContact CD1-CB 4.14Å; L194-E221 HydrophobicContact CD2-CG 3.92Å; L194-E221 HydrophobicContact CG-CG 4.38Å
195E90.7Very high92.6Very high131 Ų13155.4 Ų55.461%0.61228%0.281SS*.  trans-110.5-160.8173.8-60.3-166.717500111.3E193 A197E193-E195 PolarHBondContact O-N 3.09Å; E195-A197 PolarHBondContact O-N 3.38Å
196E92.5Very high92.7Very high59 Ų5954.7 Ų54.728%0.27628%0.278SS..SBendtrans-65.1121.1176.1-164.1168.8167.200109.9F7 Q8 S223 K386F7-E196 WeakPolarHBondContact CA-O 3.36Å; F7-E196 HydrophobicContact CD1-CB 4.33Å; F7-E196 HydrophobicContact CD1-CG 3.92Å; F7-E196 HydrophobicContact CE1-CB 4.49Å; F7-E196 HydrophobicContact CE1-CG 3.75Å; Q8-E196 PolarHBondContact N-O 3.44Å; Q8-E196 VanDerWaalsContact N-O 3.12Å; E196-S223 WeakPolarHBondContact CG-OG 3.32Å; E196-S223 WeakPolarHBondContact OE1-CB 3.43Å; E196-S223 PolarHBondContact OE1-OG 3.41Å; E196-K386 IonicContact OE1-NZ 3.75Å; E196-K386 PolarHBondContact OE1-NZ 3.21Å; E196-K386 IonicContact OE2-NZ 3.25Å; E196-K386 PolarHBondContact OE2-NZ 3.27Å; E196-K386 VanDerWaalsContact OE2-NZ 3.1Å
197A94.6Very high92.7Very high0 Ų051.9 Ų51.90%027%0.266CS..EExtended strand (participates in β ladder)trans-128.8156.7-167.500000113.6Q8 I10 L194 E195 E221 L222 S223Q8-A197 HydrophobicContact CB-CB 4.04Å; Q8-A197 CarbonylContact O-C 3.59Å; Q8-A197 WeakPolarHBondContact O-CA 3.49Å; I10-A197 HydrophobicContact CD1-CB 3.92Å; I10-A197 HydrophobicContact CG1-CB 4.14Å; L194-A197 HydrophobicContact CD1-CB 4.14Å; E195-A197 PolarHBondContact O-N 3.38Å; A197-E221 PolarHBondContact N-O 3.32Å; A197-L222 HydrophobicContact CB-CD2 4.21Å; A197-L222 WeakPolarHBondContact O-CA 3.44Å; A197-S223 PolarHBondContact O-N 3.47Å
198V95.6Very high92.8Very high34 Ų3453.4 Ų53.421%0.20627%0.274CS..EExtended strand (participates in β ladder)trans-108.7124.8168.3178.70000108.5F7 Q8 V9 I10 V200 A224F7-V198 HydrophobicContact CB-CG2 4.08Å; F7-V198 HydrophobicContact CD1-CG2 4.42Å; F7-V198 HydrophobicContact CG-CG2 4.26Å; Q8-V198 PolarHBondContact O-N 3.16Å; V9-V198 CarbonylContact C-O 3.55Å; V9-V198 WeakPolarHBondContact CA-O 3.44Å; I10-V198 PolarHBondContact N-O 3.17Å; V198-V200 HydrophobicContact CG1-CG1 4.1Å; V198-A224 WeakPolarHBondContact CA-O 3.33Å; V198-A224 HydrophobicContact CG1-CB 4.05Å; V198-A224 HydrophobicContact CG2-CB 4.14Å
199M96.4Very high92.8Very high0 Ų048 Ų480%026%0.257CS..EExtended strand (participates in β ladder)trans-87130.7174.6-171.4171-79.900109.9I10 V12 L187 T212 M215 L222 A224 V225 C226I10-M199 CarbonylContact O-C 3.49Å; I10-M199 WeakPolarHBondContact O-CA 3.49Å; V12-M199 HydrophobicContact CG1-CE 4.27Å; V12-M199 HydrophobicContact CG1-CG 4.3Å; V12-M199 HydrophobicContact CG1-SD 4.33Å; V12-M199 HydrophobicContact CG2-CG 4.17Å; V12-M199 HydrophobicContact CG2-SD 4.43Å; L187-M199 HydrophobicContact CD1-CE 3.96Å; L187-M199 HydrophobicContact CD2-CE 4.46Å; M199-T212 HydrophobicContact CG-CG2 3.81Å; M199-T212 HydrophobicContact SD-CG2 3.33Å; M199-T212 WeakPolarHBondContact SD-CG2 3.48Å; M199-M215 HydrophobicContact CE-CB 4.29Å; M199-M215 HydrophobicContact CE-CE 3.84Å; M199-M215 HydrophobicContact CE-SD 4.09Å; M199-M215 HydrophobicContact SD-CB 4.46Å; M199-L222 HydrophobicContact CB-CD2 4.25Å; M199-L222 HydrophobicContact CE-CD1 3.42Å; M199-L222 VanDerWaalsContact CE-CD1 3.42Å; M199-L222 HydrophobicContact CE-CD2 4.07Å; M199-L222 HydrophobicContact CE-CG 4.41Å; M199-L222 HydrophobicContact SD-CD1 4.14Å; M199-A224 PolarHBondContact N-O 2.93Å; M199-V225 HydrophobicContact CB-CB 4.41Å; M199-V225 HydrophobicContact CB-CG2 4.22Å; M199-V225 HydrophobicContact CG-CG2 4.45Å; M199-V225 CarbonylContact O-C 3.55Å; M199-V225 VanDerWaalsContact O-CA 3.23Å; M199-V225 WeakPolarHBondContact O-CA 3.38Å; M199-C226 PolarHBondContact O-N 3.21Å
200V96.9Very high92.9Very high17 Ų1741.8 Ų41.810%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-127.5153.8176.9-56.50000110.4V9 I10 D11 V12 L19 L23 V198 C226V9-V200 HydrophobicContact CG1-CB 4.46Å; V9-V200 HydrophobicContact CG1-CG1 4.02Å; V9-V200 HydrophobicContact CG1-CG2 3.58Å; I10-V200 PolarHBondContact O-N 2.84Å; D11-V200 CarbonylContact C-O 3.59Å; D11-V200 WeakPolarHBondContact CA-O 3.45Å; D11-V200 HydrophobicContact CB-CG2 3.71Å; V12-V200 WeakPolarHBondContact CG2-O 3.39Å; V12-V200 PolarHBondContact N-O 2.86Å; L19-V200 HydrophobicContact CD2-CG2 4.16Å; L23-V200 HydrophobicContact CD1-CG2 4.42Å; V198-V200 HydrophobicContact CG1-CG1 4.1Å; V200-C226 CarbonylContact C-O 3.51Å; V200-C226 VanDerWaalsContact CA-O 3.27Å; V200-C226 WeakPolarHBondContact CA-O 3.41Å; V200-C226 HydrophobicContact CG1-CB 4.33Å
201G95.1Very high93Very high3 Ų339.9 Ų39.93%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-167.8113.8171.700000111.2C226 G227 V228G201-C226 PolarHBondContact N-O 3.31Å; G201-G227 CarbonylContact O-C 3.59Å; G201-G227 WeakPolarHBondContact O-CA 3.45Å; G201-V228 PolarHBondContact O-N 3.45Å
202L90.6Very high93.1Very high87 Ų8739.9 Ų39.946%0.45522%0.215SC..EExtended strand (participates in β ladder)trans-84.7-22.4-173.9-171.461.5000113.6L19 V228L19-L202 HydrophobicContact CD2-CB 4.18Å; L202-V228 CarbonylContact C-O 3.54Å; L202-V228 HydrophobicContact CD1-CB 4.34Å; L202-V228 HydrophobicContact CD1-CG2 4.15Å; L202-V228 WeakPolarHBondContact O-CB 3.22Å
203H91.8Very high93.4Very high117 Ų11735.4 Ų35.454%0.54219%0.186SC..EExtended strand (participates in β ladder)trans-140.752.5-178.3-71.2-65.2000110.7C205 C230H203-C205 PolarHBondContact O-N 3.44Å; H203-C205 PolarHBondContact O-SG 2.66Å; H203-C205 VanDerWaalsContact O-SG 3.33Å; H203-C230 VanDerWaalsContact CA-SG 3.57Å
204T93.1Very high93.8Very high1 Ų133.6 Ų33.61%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-68.3100177.154.10000108.8V12 L208 A209 V228 G229 C230V12-T204 HydrophobicContact CG2-CG2 4.15Å; T204-L208 HydrophobicContact CG2-CD2 4.17Å; T204-L208 HydrophobicContact CG2-CG 4.06Å; T204-A209 WeakPolarHBondContact OG1-CA 3.36Å; T204-A209 WeakPolarHBondContact OG1-CB 3.36Å; T204-V228 PolarHBondContact N-O 3.18Å; T204-V228 VanDerWaalsContact N-O 3.15Å; T204-V228 PolarHBondContact OG1-O 3.09Å; T204-G229 WeakPolarHBondContact O-CA 3.26Å; T204-G229 WeakPolarHBondContact OG1-CA 3.34Å; T204-C230 PolarHBondContact O-N 2.83Å; T204-C230 VanDerWaalsContact O-N 3.12Å
205C93.1Very high94Very high54 Ų5433.2 Ų33.237%0.36517%0.174SC..EExtended strand (participates in β ladder)trans-79.8135.3-172.1-70.50000111.6H203 D207 L208 C230 C231H203-C205 PolarHBondContact O-N 3.44Å; H203-C205 PolarHBondContact O-SG 2.66Å; H203-C205 VanDerWaalsContact O-SG 3.33Å; C205-D207 PolarHBondContact O-N 2.89Å; C205-L208 WeakPolarHBondContact O-CB 3.49Å; C205-L208 PolarHBondContact O-N 2.86Å; C205-C230 WeakPolarHBondContact CA-O 3.38Å; C205-C230 PolarHBondContact SG-SG 2.62Å; C205-C231 HydrophobicContact CB-CB 3.98Å
206G92.9Very high94.2Very high5 Ų527.7 Ų27.75%0.05215%0.147CC..THydrogen-bonded Turntrans54-128.4175.600000111.9L208 A209 C230 L235G206-L208 PolarHBondContact O-N 3.09Å; G206-A209 PolarHBondContact O-N 3.46Å; G206-C230 PolarHBondContact N-O 3.33Å; G206-C230 VanDerWaalsContact N-O 3.08Å; G206-L235 WeakPolarHBondContact O-CD1 3.37Å
207D93.5Very high94.3Very high41 Ų4130.3 Ų30.322%0.21917%0.167CC..Hα-helixtrans-65.4-18.5-175.2-67.5-2.7000114.3C205 A209 A210 S211 L235 S236 G253C205-D207 PolarHBondContact O-N 2.89Å; D207-A209 PolarHBondContact O-N 3.12Å; D207-A210 PolarHBondContact O-N 3.33Å; D207-A210 VanDerWaalsContact O-N 3.09Å; D207-S211 WeakPolarHBondContact O-CB 3.48Å; D207-S211 PolarHBondContact O-N 3.42Å; D207-S211 PolarHBondContact O-OG 2.68Å; D207-L235 WeakPolarHBondContact OD1-CA 3.31Å; D207-L235 WeakPolarHBondContact OD1-CD1 3.39Å; D207-S236 PolarHBondContact OD1-N 3.18Å; D207-S236 PolarHBondContact OD1-OG 2.99Å; D207-S236 VanDerWaalsContact OD1-OG 3.06Å; D207-S236 WeakPolarHBondContact OD2-CB 3.32Å; D207-S236 PolarHBondContact OD2-OG 3.46Å; D207-G253 WeakPolarHBondContact OD1-CA 3.46Å
208L94.5Very high94.3Very high32 Ų3233.9 Ų33.917%0.16820%0.197CC..Hα-helixtrans-57.6-37.5178.9-176.658.1000111.3V181 T204 C205 G206 A210 S211 T212V181-L208 HydrophobicContact CB-CD1 4.07Å; V181-L208 HydrophobicContact CG1-CD1 4.14Å; T204-L208 HydrophobicContact CG2-CD2 4.17Å; T204-L208 HydrophobicContact CG2-CG 4.06Å; C205-L208 WeakPolarHBondContact O-CB 3.49Å; C205-L208 PolarHBondContact O-N 2.86Å; G206-L208 PolarHBondContact O-N 3.09Å; L208-A210 VanDerWaalsContact C-N 3.35Å; L208-A210 PolarHBondContact O-N 2.9Å; L208-S211 PolarHBondContact O-N 3.39Å; L208-T212 WeakPolarHBondContact O-CB 3.35Å; L208-T212 PolarHBondContact O-N 3.4Å; L208-T212 PolarHBondContact O-OG1 3Å
209A93.5Very high94.2Very high16 Ų1632.7 Ų32.713%0.13219%0.189CC..Hα-helixtrans-60.8-44.2178.100000112.1T204 G206 D207 L213T204-A209 WeakPolarHBondContact OG1-CA 3.36Å; T204-A209 WeakPolarHBondContact OG1-CB 3.36Å; G206-A209 PolarHBondContact O-N 3.46Å; D207-A209 PolarHBondContact O-N 3.12Å; A209-L213 PolarHBondContact O-N 2.9Å
210A94.3Very high94Very high2 Ų237.7 Ų37.72%0.01722%0.222CC..Hα-helixtrans-69-42.5177.700000111.6D207 L208 L213 R214 G253 L256D207-A210 PolarHBondContact O-N 3.33Å; D207-A210 VanDerWaalsContact O-N 3.09Å; L208-A210 VanDerWaalsContact C-N 3.35Å; L208-A210 PolarHBondContact O-N 2.9Å; A210-L213 PolarHBondContact O-N 3.18Å; A210-R214 PolarHBondContact O-N 2.89Å; A210-G253 WeakPolarHBondContact CB-O 3.47Å; A210-L256 HydrophobicContact CB-CD1 4.11Å; A210-L256 HydrophobicContact CB-CD2 3.85Å; A210-L256 HydrophobicContact CB-CG 4.2Å
211S94.7Very high93.8Very high12 Ų1238 Ų388%0.08422%0.222CC..Hα-helixtrans-59.8-45175.4-66.20000111.8D207 L208 L213 R214 M215D207-S211 WeakPolarHBondContact O-CB 3.48Å; D207-S211 PolarHBondContact O-N 3.42Å; D207-S211 PolarHBondContact O-OG 2.68Å; L208-S211 PolarHBondContact O-N 3.39Å; S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 3.43Å; S211-R214 PolarHBondContact O-N 3.28Å; S211-M215 VanDerWaalsContact O-CG 3.27Å; S211-M215 WeakPolarHBondContact O-CG 3.47Å; S211-M215 PolarHBondContact O-N 3.1Å
212T95.1Very high93.8Very high1 Ų137.8 Ų37.81%0.00622%0.22CC..Hα-helixtrans-56.6-44175.1-590000111.7V12 M199 L208 M215 F216 V225V12-T212 HydrophobicContact CG2-CG2 4.18Å; V12-T212 WeakPolarHBondContact CG2-OG1 3.49Å; M199-T212 HydrophobicContact CG-CG2 3.81Å; M199-T212 HydrophobicContact SD-CG2 3.33Å; M199-T212 WeakPolarHBondContact SD-CG2 3.48Å; L208-T212 WeakPolarHBondContact O-CB 3.35Å; L208-T212 PolarHBondContact O-N 3.4Å; L208-T212 PolarHBondContact O-OG1 3Å; T212-M215 PolarHBondContact O-N 2.84Å; T212-F216 WeakPolarHBondContact O-CB 3.35Å; T212-F216 PolarHBondContact O-N 3.46Å; T212-V225 HydrophobicContact CG2-CG2 3.52Å
213L95.2Very high94Very high34 Ų3434.3 Ų34.318%0.17820%0.203CC..Hα-helixtrans-65-42.8176.9-73.8172.8000112.1A209 A210 S211 F216 V217 V225 L256 F380 L382A209-L213 PolarHBondContact O-N 2.9Å; A210-L213 PolarHBondContact O-N 3.18Å; S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 3.43Å; L213-F216 PolarHBondContact O-N 3.09Å; L213-V217 WeakPolarHBondContact O-CG2 3.48Å; L213-V217 PolarHBondContact O-N 2.99Å; L213-V217 VanDerWaalsContact O-N 3.08Å; L213-V225 HydrophobicContact CD2-CG1 4.41Å; L213-L256 HydrophobicContact CD1-CD1 3.69Å; L213-F380 HydrophobicContact CD1-CE1 4.37Å; L213-F380 HydrophobicContact CD1-CE2 4.41Å; L213-F380 HydrophobicContact CD1-CZ 4.11Å; L213-F380 HydrophobicContact CD2-CD2 3.7Å; L213-F380 HydrophobicContact CD2-CE2 3.38Å; L213-F380 HydrophobicContact CD2-CG 4.47Å; L213-F380 HydrophobicContact CD2-CZ 3.92Å; L213-F380 HydrophobicContact CG-CE2 3.88Å; L213-F380 HydrophobicContact CG-CZ 3.9Å; L213-L382 HydrophobicContact CD2-CD1 3.72Å
214R94.8Very high94.2Very high52 Ų5229.5 Ų29.520%0.19618%0.183CC..Hα-helixtrans-62.6-44.7175.3-78.5-170.6-98.2-101.91.6112A210 S211 F216 V217 A218 A251 C252A210-R214 PolarHBondContact O-N 2.89Å; S211-R214 PolarHBondContact O-N 3.28Å; R214-F216 VanDerWaalsContact C-N 3.35Å; R214-F216 PolarHBondContact O-N 2.82Å; R214-V217 PolarHBondContact O-N 3.43Å; R214-A218 WeakPolarHBondContact O-CB 3.27Å; R214-A218 PolarHBondContact O-N 3.3Å; R214-A251 PolarHBondContact NH2-O 3.35Å; R214-A251 VanDerWaalsContact NH2-O 3.08Å; R214-C252 PolarHBondContact NH2-O 2.59Å
215M94.6Very high94.3Very high0 Ų029.5 Ų29.50%018%0.183CC..Hα-helixtrans-58.9-46.1174.3-68.3176.680.400111.2V181 T182 L187 M199 S211 T212 V217 A218 K219 L222V181-M215 HydrophobicContact CG1-CE 4.13Å; V181-M215 HydrophobicContact CG1-SD 3.62Å; T182-M215 VanDerWaalsContact O-SD 3.38Å; L187-M215 HydrophobicContact CD1-CE 4.1Å; L187-M215 HydrophobicContact CD2-CE 3.6Å; L187-M215 HydrophobicContact CG-CE 3.73Å; M199-M215 HydrophobicContact CE-CB 4.29Å; M199-M215 HydrophobicContact CE-CE 3.84Å; M199-M215 HydrophobicContact CE-SD 4.09Å; M199-M215 HydrophobicContact SD-CB 4.46Å; S211-M215 VanDerWaalsContact O-CG 3.27Å; S211-M215 WeakPolarHBondContact O-CG 3.47Å; S211-M215 PolarHBondContact O-N 3.1Å; T212-M215 PolarHBondContact O-N 2.84Å; M215-V217 VanDerWaalsContact C-N 3.28Å; M215-V217 PolarHBondContact O-N 2.66Å; M215-A218 PolarHBondContact O-N 2.88Å; M215-K219 HydrophobicContact CB-CD 4.47Å; M215-K219 HydrophobicContact CE-CD 4.22Å; M215-K219 VanDerWaalsContact O-CB 3.26Å; M215-K219 WeakPolarHBondContact O-CB 2.99Å; M215-K219 WeakPolarHBondContact O-CG 3.45Å; M215-K219 PolarHBondContact O-N 3.24Å; M215-L222 HydrophobicContact CB-CD1 4.32Å
216F95.8Very high94.4Very high14 Ų1428.9 Ų28.96%0.06118%0.179CC..Hα-helixtrans-57-42.3177.7170.8-109.2000111.9T212 L213 R214 L222 V225 L382 K384T212-F216 WeakPolarHBondContact O-CB 3.35Å; T212-F216 PolarHBondContact O-N 3.46Å; L213-F216 PolarHBondContact O-N 3.09Å; R214-F216 VanDerWaalsContact C-N 3.35Å; R214-F216 PolarHBondContact O-N 2.82Å; F216-L222 HydrophobicContact CD2-CB 4.13Å; F216-V225 HydrophobicContact CB-CB 4.05Å; F216-V225 HydrophobicContact CB-CG1 3.86Å; F216-V225 HydrophobicContact CD1-CG1 3.6Å; F216-V225 HydrophobicContact CD2-CB 3.9Å; F216-V225 HydrophobicContact CD2-CG1 3.77Å; F216-V225 HydrophobicContact CE1-CG1 4.03Å; F216-V225 HydrophobicContact CE2-CG1 4.19Å; F216-V225 HydrophobicContact CG-CB 3.9Å; F216-V225 HydrophobicContact CG-CG1 3.43Å; F216-V225 VanDerWaalsContact CG-CG1 3.43Å; F216-V225 HydrophobicContact CZ-CG1 4.3Å; F216-L382 HydrophobicContact CD1-CB 4.42Å; F216-L382 HydrophobicContact CD1-CD1 4.4Å; F216-L382 HydrophobicContact CE1-CB 3.7Å; F216-L382 HydrophobicContact CE1-CD1 4.28Å; F216-L382 HydrophobicContact CZ-CB 4.02Å; F216-K384 HydrophobicContact CE1-CG 4.43Å; F216-K384 HydrophobicContact CE2-CD 4.33Å; F216-K384 HydrophobicContact CE2-CG 3.84Å; F216-K384 HydrophobicContact CZ-CD 4.42Å; F216-K384 HydrophobicContact CZ-CG 3.58Å; F216-K384 WeakPolarHBondContact O-CE 3.46Å; F216-K384 PolarHBondContact O-NZ 2.76Å
217V94Very high94.4Very high114 Ų11428.6 Ų28.669%0.69118%0.177SC*.Hα-helixtrans-67.5-48.1176.61750000111.2L213 R214 M215L213-V217 WeakPolarHBondContact O-CG2 3.48Å; L213-V217 PolarHBondContact O-N 2.99Å; L213-V217 VanDerWaalsContact O-N 3.08Å; R214-V217 PolarHBondContact O-N 3.43Å; M215-V217 VanDerWaalsContact C-N 3.28Å; M215-V217 PolarHBondContact O-N 2.66Å
218A93.8Very high94.3Very high75 Ų7528.9 Ų28.962%0.6218%0.179SC*.Hα-helixtrans-72.6-35-172.700000114.2R214 M215R214-A218 WeakPolarHBondContact O-CB 3.27Å; R214-A218 PolarHBondContact O-N 3.3Å; M215-A218 PolarHBondContact O-N 2.88Å
219K93.8Very high94.1Very high9 Ų927.9 Ų27.94%0.03918%0.177CC..  trans-97116.7-169-64.3-170166.675.10112.2S183 T185 L187 M215 E221 L222 K384S183-K219 PolarHBondContact O-NZ 2.88Å; T185-K219 WeakPolarHBondContact O-CE 3.47Å; T185-K219 PolarHBondContact O-NZ 3.39Å; L187-K219 HydrophobicContact CD1-CD 3.64Å; L187-K219 HydrophobicContact CG-CD 3.9Å; M215-K219 HydrophobicContact CB-CD 4.47Å; M215-K219 HydrophobicContact CE-CD 4.22Å; M215-K219 VanDerWaalsContact O-CB 3.26Å; M215-K219 WeakPolarHBondContact O-CB 2.99Å; M215-K219 WeakPolarHBondContact O-CG 3.45Å; M215-K219 PolarHBondContact O-N 3.24Å; K219-E221 VanDerWaalsContact C-N 3.33Å; K219-E221 PolarHBondContact O-N 2.87Å; K219-L222 HydrophobicContact CB-CD1 3.96Å; K219-L222 HydrophobicContact CB-CG 4.08Å; K219-L222 HydrophobicContact CD-CD1 4.39Å; K219-L222 PolarHBondContact O-N 3.28Å; K219-K384 PolarHBondContact O-NZ 3.07Å
220P92.4Very high93.9Very high106 Ų10628.4 Ų28.469%0.68818%0.179SC*.THydrogen-bonded Turntrans-69.7-25-176.127.5-35.3000114.2L222P220-L222 PolarHBondContact O-N 3.08Å
221E92.9Very high93.7Very high22 Ų2230 Ų3010%0.10319%0.19CC..THydrogen-bonded Turntrans-68.7-18.5177.164.7-90.2-150.300113.4L194 A197 K219 S223L194-E221 HydrophobicContact CD2-CG 3.92Å; L194-E221 HydrophobicContact CG-CG 4.38Å; A197-E221 PolarHBondContact N-O 3.32Å; K219-E221 VanDerWaalsContact C-N 3.33Å; K219-E221 PolarHBondContact O-N 2.87Å; E221-S223 PolarHBondContact O-N 3.13Å
222L95.1Very high93.5Very high0 Ų031.7 Ų31.70%020%0.195CC..EExtended strand (participates in β ladder)trans-87.5109.9177.8-60179.6000110.7I10 L187 A197 M199 M215 F216 K219 P220 K384I10-L222 HydrophobicContact CD1-CD2 4.15Å; L187-L222 HydrophobicContact CD1-CD1 4.12Å; L187-L222 HydrophobicContact CD1-CD2 3.89Å; L187-L222 HydrophobicContact CD1-CG 4.2Å; A197-L222 HydrophobicContact CB-CD2 4.21Å; A197-L222 WeakPolarHBondContact O-CA 3.44Å; M199-L222 HydrophobicContact CB-CD2 4.25Å; M199-L222 HydrophobicContact CE-CD1 3.42Å; M199-L222 VanDerWaalsContact CE-CD1 3.42Å; M199-L222 HydrophobicContact CE-CD2 4.07Å; M199-L222 HydrophobicContact CE-CG 4.41Å; M199-L222 HydrophobicContact SD-CD1 4.14Å; M215-L222 HydrophobicContact CB-CD1 4.32Å; F216-L222 HydrophobicContact CD2-CB 4.13Å; K219-L222 HydrophobicContact CB-CD1 3.96Å; K219-L222 HydrophobicContact CB-CG 4.08Å; K219-L222 HydrophobicContact CD-CD1 4.39Å; K219-L222 PolarHBondContact O-N 3.28Å; P220-L222 PolarHBondContact O-N 3.08Å; L222-K384 WeakPolarHBondContact O-CD 3.35Å; L222-K384 WeakPolarHBondContact O-CE 3.35Å; L222-K384 PolarHBondContact O-NZ 3.37Å
223S94.7Very high93.2Very high13 Ų1334.5 Ų34.59%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-92.2-25.3-177.4-76.20000113.8E196 A197 E221 K383 K384E196-S223 WeakPolarHBondContact CG-OG 3.32Å; E196-S223 WeakPolarHBondContact OE1-CB 3.43Å; E196-S223 PolarHBondContact OE1-OG 3.41Å; A197-S223 PolarHBondContact O-N 3.47Å; E221-S223 PolarHBondContact O-N 3.13Å; S223-K383 WeakPolarHBondContact O-CA 3.22Å; S223-K384 PolarHBondContact O-N 3.34Å
224A95.4Very high92.9Very high16 Ų1638 Ų3813%0.13223%0.227CC..EExtended strand (participates in β ladder)trans-148.6158.1171.600000111.7V198 M199 L382 K383V198-A224 WeakPolarHBondContact CA-O 3.33Å; V198-A224 HydrophobicContact CG1-CB 4.05Å; V198-A224 HydrophobicContact CG2-CB 4.14Å; M199-A224 PolarHBondContact N-O 2.93Å; A224-L382 CarbonylContact C-O 3.52Å; A224-L382 WeakPolarHBondContact CA-O 3.49Å; A224-L382 WeakPolarHBondContact CB-O 3.36Å; A224-K383 HydrophobicContact CB-CB 4.41Å; A224-K383 HydrophobicContact CB-CG 4.44Å
225V95.9Very high92.7Very high1 Ų136.8 Ų36.81%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-131.1134.1169.960.40000110.4M199 T212 L213 F216 F380 V381 L382M199-V225 HydrophobicContact CB-CB 4.41Å; M199-V225 HydrophobicContact CB-CG2 4.22Å; M199-V225 HydrophobicContact CG-CG2 4.45Å; M199-V225 CarbonylContact O-C 3.55Å; M199-V225 VanDerWaalsContact O-CA 3.23Å; M199-V225 WeakPolarHBondContact O-CA 3.38Å; T212-V225 HydrophobicContact CG2-CG2 3.52Å; L213-V225 HydrophobicContact CD2-CG1 4.41Å; F216-V225 HydrophobicContact CB-CB 4.05Å; F216-V225 HydrophobicContact CB-CG1 3.86Å; F216-V225 HydrophobicContact CD1-CG1 3.6Å; F216-V225 HydrophobicContact CD2-CB 3.9Å; F216-V225 HydrophobicContact CD2-CG1 3.77Å; F216-V225 HydrophobicContact CE1-CG1 4.03Å; F216-V225 HydrophobicContact CE2-CG1 4.19Å; F216-V225 HydrophobicContact CG-CB 3.9Å; F216-V225 HydrophobicContact CG-CG1 3.43Å; F216-V225 VanDerWaalsContact CG-CG1 3.43Å; F216-V225 HydrophobicContact CZ-CG1 4.3Å; V225-F380 HydrophobicContact CG2-CE2 4.13Å; V225-V381 WeakPolarHBondContact O-CA 3.06Å; V225-L382 HydrophobicContact CG1-CB 3.79Å; V225-L382 HydrophobicContact CG1-CD1 4.12Å; V225-L382 HydrophobicContact CG1-CG 4.34Å; V225-L382 PolarHBondContact N-O 3.24Å; V225-L382 PolarHBondContact O-N 3.16Å
226C95.6Very high92.5Very high41 Ų4137.8 Ų37.828%0.27723%0.231SC..EExtended strand (participates in β ladder)trans-125.9102.6171.4178.20000109.4M199 V200 G201 V381M199-C226 PolarHBondContact O-N 3.21Å; V200-C226 CarbonylContact C-O 3.51Å; V200-C226 VanDerWaalsContact CA-O 3.27Å; V200-C226 WeakPolarHBondContact CA-O 3.41Å; V200-C226 HydrophobicContact CG1-CB 4.33Å; G201-C226 PolarHBondContact N-O 3.31Å; C226-V381 HydrophobicContact CB-CG2 4.47Å
227G93Very high92.3Very high0 Ų038 Ų380%023%0.232CC..EExtended strand (participates in β ladder)trans-118.6145.3-176.100000113G201 F380G201-G227 CarbonylContact O-C 3.59Å; G201-G227 WeakPolarHBondContact O-CA 3.45Å; G227-F380 PolarHBondContact N-O 3.14Å; G227-F380 PolarHBondContact O-N 2.67Å
228V91.7Very high92Very high46 Ų4637.2 Ų37.228%0.27922%0.22SC..EExtended strand (participates in β ladder)trans-129.2105.1168179.30000107.7G201 L202 T204 R379G201-V228 PolarHBondContact O-N 3.45Å; L202-V228 CarbonylContact C-O 3.54Å; L202-V228 HydrophobicContact CD1-CB 4.34Å; L202-V228 HydrophobicContact CD1-CG2 4.15Å; L202-V228 WeakPolarHBondContact O-CB 3.22Å; T204-V228 PolarHBondContact N-O 3.18Å; T204-V228 VanDerWaalsContact N-O 3.15Å; T204-V228 PolarHBondContact OG1-O 3.09Å; V228-R379 HydrophobicContact CG2-CG 4.47Å
229G90.5Very high91.8Very high11 Ų1136.5 Ų36.511%0.11320%0.203CC..EExtended strand (participates in β ladder)trans-73.2145.2177.600000112.5T204 Y232T204-G229 WeakPolarHBondContact O-CA 3.26Å; T204-G229 WeakPolarHBondContact OG1-CA 3.34Å; G229-Y232 PolarHBondContact O-OH 2.72Å
230C88.7Confident91.3Very high27 Ų2738.6 Ų38.618%0.18222%0.215CC..EExtended strand (participates in β ladder)trans-146.3-179.5169.266.30000111.4H203 T204 C205 G206 Y232H203-C230 VanDerWaalsContact CA-SG 3.57Å; T204-C230 PolarHBondContact O-N 2.83Å; T204-C230 VanDerWaalsContact O-N 3.12Å; C205-C230 WeakPolarHBondContact CA-O 3.38Å; C205-C230 PolarHBondContact SG-SG 2.62Å; G206-C230 PolarHBondContact N-O 3.33Å; G206-C230 VanDerWaalsContact N-O 3.08Å; C230-Y232 VanDerWaalsContact C-N 3.29Å; C230-Y232 PolarHBondContact O-N 2.92Å
231C90.1Very high90.5Very high37 Ų3737.8 Ų37.825%0.2521%0.21CC..  trans52.944.6-179.1-58.40000113.1C205 H233 L234C205-C231 HydrophobicContact CB-CB 3.98Å; C231-H233 PolarHBondContact O-N 3.06Å; C231-L234 HydrophobicContact CB-CD1 4Å; C231-L234 HydrophobicContact CB-CG 4.29Å; C231-L234 WeakPolarHBondContact O-CB 3.2Å; C231-L234 PolarHBondContact O-N 2.84Å
232Y90.2Very high89.4Confident46 Ų4643.7 Ų43.718%0.1824%0.242CC..G310 helixtrans-53.9-25.9178.6-57.5-71.4000112.8G229 C230 L234 L235 R272 A275 C276G229-Y232 PolarHBondContact O-OH 2.72Å; C230-Y232 VanDerWaalsContact C-N 3.29Å; C230-Y232 PolarHBondContact O-N 2.92Å; Y232-L234 PolarHBondContact O-N 3.4Å; Y232-L234 VanDerWaalsContact O-N 3.14Å; Y232-L235 WeakPolarHBondContact O-CB 3.13Å; Y232-L235 PolarHBondContact O-N 2.96Å; Y232-R272 WeakPolarHBondContact O-CB 3.45Å; Y232-R272 WeakPolarHBondContact O-CD 3.44Å; Y232-R272 PolarHBondContact O-NE 2.98Å; Y232-A275 HydrophobicContact CD2-CB 3.83Å; Y232-A275 WeakPolarHBondContact CD2-O 3.34Å; Y232-A275 HydrophobicContact CE2-CB 4.49Å; Y232-A275 HydrophobicContact CG-CB 4.26Å; Y232-C276 PolarHBondContact N-SG 3.13Å
233H88Confident87.8Confident61 Ų6145.8 Ų45.828%0.28226%0.263SS..G310 helixtrans-59.7-20.6172.865.8-84.1000114.8C231 M273 C276C231-H233 PolarHBondContact O-N 3.06Å; H233-M273 HydrophobicContact CB-CG 3.97Å; H233-M273 HydrophobicContact CB-SD 3.24Å; H233-M273 WeakPolarHBondContact CB-SD 3.16Å; H233-C276 PolarHBondContact ND1-SG 3.08Å; H233-C276 VanDerWaalsContact ND1-SG 3.39Å
234L90.1Very high85.6Confident108 Ų10854.7 Ų54.757%0.56530%0.304SS*.G310 helixtrans-94.2-0.1173.5-57.4178.1000113.2C231 Y232C231-L234 HydrophobicContact CB-CD1 4Å; C231-L234 HydrophobicContact CB-CG 4.29Å; C231-L234 WeakPolarHBondContact O-CB 3.2Å; C231-L234 PolarHBondContact O-N 2.84Å; Y232-L234 PolarHBondContact O-N 3.4Å; Y232-L234 VanDerWaalsContact O-N 3.14Å
235L90.8Very high83.5Confident26 Ų2661.4 Ų61.414%0.13633%0.333CS..  trans-71.6129.3176.1-168.472.6000109.2G206 D207 Y232 F254 R272G206-L235 WeakPolarHBondContact O-CD1 3.37Å; D207-L235 WeakPolarHBondContact OD1-CA 3.31Å; D207-L235 WeakPolarHBondContact OD1-CD1 3.39Å; Y232-L235 WeakPolarHBondContact O-CB 3.13Å; Y232-L235 PolarHBondContact O-N 2.96Å; L235-F254 HydrophobicContact CD2-CB 3.78Å; L235-F254 HydrophobicContact CG-CB 4.26Å; L235-R272 PolarHBondContact O-NE 2.96Å; L235-R272 VanDerWaalsContact O-NE 3.11Å; L235-R272 PolarHBondContact O-NH2 3.34Å
236S90.9Very high81.2Confident21 Ų2168.9 Ų68.915%0.14737%0.367CS..  trans-76.2146.2172.763.50000110.6D207 C252 G253 F254D207-S236 PolarHBondContact OD1-N 3.18Å; D207-S236 PolarHBondContact OD1-OG 2.99Å; D207-S236 VanDerWaalsContact OD1-OG 3.06Å; D207-S236 WeakPolarHBondContact OD2-CB 3.32Å; D207-S236 PolarHBondContact OD2-OG 3.46Å; S236-C252 WeakPolarHBondContact OG-CA 3.42Å; S236-G253 PolarHBondContact O-N 3.32Å; S236-G253 PolarHBondContact OG-N 3.06Å; S236-F254 PolarHBondContact O-N 2.71Å
237E90Very high78.8Confident18 Ų1872.8 Ų72.88%0.08439%0.392CS..BIsolated β-bridgetrans-126.2127.7-178.9-75.1-171.4-15400110.1N240 F254 F266 C267 G268 R272E237-N240 HydrophobicContact CB-CB 4.03Å; E237-F254 WeakPolarHBondContact CA-O 3.11Å; E237-F254 HydrophobicContact CG-CB 4.22Å; E237-F254 HydrophobicContact CG-CD1 4.02Å; E237-F266 WeakPolarHBondContact OE2-CA 3.48Å; E237-F266 VanDerWaalsContact OE2-CB 3.26Å; E237-F266 WeakPolarHBondContact OE2-CB 3.33Å; E237-C267 VanDerWaalsContact OE1-CB 3.31Å; E237-C267 WeakPolarHBondContact OE1-CB 3.5Å; E237-C267 PolarHBondContact OE1-N 3.47Å; E237-C267 PolarHBondContact OE2-N 3.22Å; E237-G268 PolarHBondContact OE1-N 3.2Å; E237-G268 VanDerWaalsContact OE1-N 3.09Å; E237-G268 PolarHBondContact OE2-N 3.4Å; E237-R272 WeakPolarHBondContact OE1-CD 3.26Å; E237-R272 IonicContact OE1-CZ 3.27Å; E237-R272 IonicContact OE1-NE 3.51Å; E237-R272 IonicContact OE1-NH1 2.88Å; E237-R272 PolarHBondContact OE1-NH1 3.27Å; E237-R272 IonicContact OE2-NH1 3.54Å
238E89.3Confident76.7Confident97 Ų9779.7 Ų79.745%0.45343%0.428SS..THydrogen-bonded Turntrans-64.2-40.7-178.5-173.9176.5170.900112.6C252 F254 R261E238-C252 HydrophobicContact CB-CB 4.06Å; E238-F254 PolarHBondContact N-O 3.24Å; E238-R261 IonicContact OE2-NE 3.1Å
239F88.8Confident74.9Confident60 Ų6085.3 Ų85.326%0.26345%0.451SS..THydrogen-bonded Turntrans-103.724.1-173-54.7-72.3000113.6P241 P255 R261 F266F239-P241 VanDerWaalsContact O-CD 3.25Å; F239-P241 WeakPolarHBondContact O-CD 3.47Å; F239-P255 HydrophobicContact CD2-CG 4Å; F239-P255 HydrophobicContact CE2-CG 3.85Å; F239-R261 HydrophobicContact CE2-CB 4.26Å; F239-R261 HydrophobicContact CE2-CG 4.31Å; F239-R261 HydrophobicContact CZ-CB 4.36Å; F239-F266 HydrophobicContact CB-CB 4.28Å
240N83.4Confident73.4Confident53 Ų5389.3 Ų89.328%0.28347%0.474SS..  trans-71.7114.4-178179.118000111.5E237 N242 G243E237-N240 HydrophobicContact CB-CB 4.03Å; N240-N242 PolarHBondContact O-N 2.88Å; N240-N242 VanDerWaalsContact O-N 3.17Å; N240-N242 PolarHBondContact OD1-N 3.11Å; N240-G243 PolarHBondContact O-N 3.26Å
241P75.4Confident72.9Confident89 Ų8990.2 Ų90.258%0.57848%0.483SS*.THydrogen-bonded Turntrans-67.7-20.3-174.126.5-34.8000114F239 F266F239-P241 VanDerWaalsContact O-CD 3.25Å; F239-P241 WeakPolarHBondContact O-CD 3.47Å; P241-F266 HydrophobicContact CG-CE2 4.09Å; P241-F266 HydrophobicContact CG-CZ 4.09Å
242N70.8Confident72.8Confident147 Ų14790.4 Ų90.479%0.78649%0.485SS*.THydrogen-bonded Turntrans-105.18.3-176.9-63.3-16.1000113N240 Q244N240-N242 PolarHBondContact O-N 2.88Å; N240-N242 VanDerWaalsContact O-N 3.17Å; N240-N242 PolarHBondContact OD1-N 3.11Å; N242-Q244 PolarHBondContact O-N 3.38Å
243G61.7Low72.8Confident43 Ų4388.4 Ų88.444%0.44348%0.478SS..  trans-77.7108.3-178.300000112.1N240 E245N240-G243 PolarHBondContact O-N 3.26Å; G243-E245 PolarHBondContact O-N 2.81Å
244Q47.2Very low73Confident201 Ų20187.1 Ų87.194%0.93947%0.471SS*.  trans-81.770.5156.3-68.9-160.8-40.600108.7N242N242-Q244 PolarHBondContact O-N 3.38Å
245E51.9Low73.1Confident157 Ų15782 Ų8273%0.73445%0.445SS*.  trans-126.4108.4169.9-70.4-174179.500107.6G243G243-E245 PolarHBondContact O-N 2.81Å
246E47Very low73.1Confident158 Ų15884 Ų8474%0.73846%0.455SS*.  trans-50.2139.8167.6-78.1-72129.900109.5L248E246-L248 HydrophobicContact CB-CD1 4.11Å; E246-L248 PolarHBondContact O-N 3.31Å
247P45.5Very low73.1Confident122 Ų12285.4 Ų85.479%0.79247%0.465SS*.SBendtrans-74.174.1-17531.6-34.2000110.4
248L48.8Very low73.2Confident145 Ų14589.8 Ų89.876%0.75949%0.485SS*.  trans-116.83.4-178.7-86.9155.4000113.5E246E246-L248 HydrophobicContact CB-CD1 4.11Å; E246-L248 PolarHBondContact O-N 3.31Å
249Q54Low73.4Confident164 Ų16492.4 Ų92.477%0.76649%0.492SS*.SBendtrans-113.3121176.5-118.997.959.400112.4A251Q249-A251 PolarHBondContact O-N 2.87Å
250T59.4Low73.6Confident96 Ų9691.9 Ų91.959%0.58949%0.492SS*.SBendtrans-51.8108.7167.7-380000109.8E184E184-T250 VanDerWaalsContact CD-CG2 3.47Å; E184-T250 HydrophobicContact CG-CG2 3.91Å; E184-T250 WeakPolarHBondContact OE1-CG2 3.15Å
251A77.6Confident74Confident46 Ų4692.7 Ų92.738%0.3849%0.491SS..SBendtrans57.3102.6173.900000118R214 Q249R214-A251 PolarHBondContact NH2-O 3.35Å; R214-A251 VanDerWaalsContact NH2-O 3.08Å; Q249-A251 PolarHBondContact O-N 2.87Å
252C88.3Confident74.9Confident41 Ų4193.8 Ų93.828%0.27749%0.492SS..  trans-53.7149.1171.7-58.30000113.7R214 S236 E238 F254R214-C252 PolarHBondContact NH2-O 2.59Å; S236-C252 WeakPolarHBondContact OG-CA 3.42Å; E238-C252 HydrophobicContact CB-CB 4.06Å; C252-F254 VanDerWaalsContact C-N 3.32Å; C252-F254 PolarHBondContact O-N 3.31Å
253G90.6Very high76Confident3 Ų392.1 Ų92.13%0.03148%0.479CS..SBendtrans-66.3-28.4-17900000114.4D207 A210 S236D207-G253 WeakPolarHBondContact OD1-CA 3.46Å; A210-G253 WeakPolarHBondContact CB-O 3.47Å; S236-G253 PolarHBondContact O-N 3.32Å; S236-G253 PolarHBondContact OG-N 3.06Å
254F92.2Very high77.4Confident35 Ų3593.2 Ų93.215%0.15448%0.481CS..BIsolated β-bridgetrans-141.3138.6176.5-179.6-90.5000111.7L235 S236 E237 E238 C252 L260 C265L235-F254 HydrophobicContact CD2-CB 3.78Å; L235-F254 HydrophobicContact CG-CB 4.26Å; S236-F254 PolarHBondContact O-N 2.71Å; E237-F254 WeakPolarHBondContact CA-O 3.11Å; E237-F254 HydrophobicContact CG-CB 4.22Å; E237-F254 HydrophobicContact CG-CD1 4.02Å; E238-F254 PolarHBondContact N-O 3.24Å; C252-F254 VanDerWaalsContact C-N 3.32Å; C252-F254 PolarHBondContact O-N 3.31Å; F254-L260 HydrophobicContact CE2-CD1 3.99Å; F254-L260 HydrophobicContact CZ-CD1 4.09Å; F254-C265 WeakPolarHBondContact CE1-O 3.42Å
255P92.6Very high79.4Confident1 Ų185.6 Ų85.61%0.00645%0.449CS..  cis-86.5147.90.4-1.219000114.5F239 L260 R261F239-P255 HydrophobicContact CD2-CG 4Å; F239-P255 HydrophobicContact CE2-CG 3.85Å; P255-L260 HydrophobicContact CB-CB 3.6Å; P255-L260 HydrophobicContact CB-CD1 4.47Å; P255-L260 HydrophobicContact CG-CB 4.18Å; P255-R261 HydrophobicContact CB-CG 4.07Å; P255-R261 HydrophobicContact CG-CG 3.95Å; P255-R261 PolarHBondContact O-NE 3.25Å; P255-R261 VanDerWaalsContact O-NE 3.09Å; P255-R261 PolarHBondContact O-NH2 3.03Å; P255-R261 VanDerWaalsContact O-NH2 3.13Å
256L90Very high81.2Confident66 Ų6683.1 Ų83.135%0.34644%0.436SS..  trans-84.1-39.4174.3-78.9177.1000113.7A210 L213 R261A210-L256 HydrophobicContact CB-CD1 4.11Å; A210-L256 HydrophobicContact CB-CD2 3.85Å; A210-L256 HydrophobicContact CB-CG 4.2Å; L213-L256 HydrophobicContact CD1-CD1 3.69Å; L256-R261 PolarHBondContact O-NH2 3.01Å
257S91Very high83.1Confident51 Ų5178.2 Ų78.236%0.35742%0.418SS..SBendtrans-84.1142.4-176.760.90000111.7Y259 L260 R261S257-Y259 VanDerWaalsContact C-N 3.28Å; S257-Y259 PolarHBondContact O-N 3.09Å; S257-L260 PolarHBondContact O-N 3.25Å; S257-L260 WeakPolarHBondContact OG-CB 3.47Å; S257-L260 VanDerWaalsContact OG-CG 3.32Å; S257-L260 WeakPolarHBondContact OG-CG 3.43Å; S257-L260 PolarHBondContact OG-N 3.48Å; S257-R261 PolarHBondContact O-N 3.33Å
258Q91.3Very high85Confident110 Ų11073 Ų7351%0.51439%0.387SS..Hα-helixtrans-56.3-42.9174.4-16758.642.600112.2L260 R261 D262Q258-L260 VanDerWaalsContact C-N 3.34Å; Q258-L260 PolarHBondContact O-N 2.85Å; Q258-R261 WeakPolarHBondContact O-CA 3.08Å; Q258-R261 WeakPolarHBondContact O-CB 3.43Å; Q258-R261 PolarHBondContact O-N 3.39Å; Q258-D262 PolarHBondContact NE2-OD1 3.14Å; Q258-D262 PolarHBondContact O-N 2.92Å
259Y94.8Very high86.7Confident152 Ų15273.7 Ų73.760%0.59638%0.38SS*.Hα-helixtrans-51.1-47.3177.8177.8-96.5000114S257 D262 Q263S257-Y259 VanDerWaalsContact C-N 3.28Å; S257-Y259 PolarHBondContact O-N 3.09Å; Y259-D262 PolarHBondContact O-N 3.07Å; Y259-Q263 PolarHBondContact O-N 2.8Å; Y259-Q263 PolarHBondContact OH-NE2 3.31Å; Y259-Q263 VanDerWaalsContact OH-NE2 3.13Å
260L92.1Very high88Confident50 Ų5071.2 Ų71.226%0.26237%0.371SS..Hα-helixtrans-73.9-26.3179-67.7177.8000113F254 P255 S257 Q258 S264 C265F254-L260 HydrophobicContact CE2-CD1 3.99Å; F254-L260 HydrophobicContact CZ-CD1 4.09Å; P255-L260 HydrophobicContact CB-CB 3.6Å; P255-L260 HydrophobicContact CB-CD1 4.47Å; P255-L260 HydrophobicContact CG-CB 4.18Å; S257-L260 PolarHBondContact O-N 3.25Å; S257-L260 WeakPolarHBondContact OG-CB 3.47Å; S257-L260 VanDerWaalsContact OG-CG 3.32Å; S257-L260 WeakPolarHBondContact OG-CG 3.43Å; S257-L260 PolarHBondContact OG-N 3.48Å; Q258-L260 VanDerWaalsContact C-N 3.34Å; Q258-L260 PolarHBondContact O-N 2.85Å; L260-S264 PolarHBondContact O-N 3.32Å; L260-C265 HydrophobicContact CB-CB 4.19Å; L260-C265 HydrophobicContact CD2-CB 4.18Å; L260-C265 WeakPolarHBondContact O-CB 3.18Å; L260-C265 PolarHBondContact O-N 2.84Å
261R91.5Very high89.2Confident69 Ų6969 Ų6926%0.2636%0.363SS..Hα-helixtrans-71.2-41.3172.3-66.4-170.3-162120.69.1111.7E238 F239 P255 L256 S257 Q258 Q263 S264E238-R261 IonicContact OE2-NE 3.1Å; F239-R261 HydrophobicContact CE2-CB 4.26Å; F239-R261 HydrophobicContact CE2-CG 4.31Å; F239-R261 HydrophobicContact CZ-CB 4.36Å; P255-R261 HydrophobicContact CB-CG 4.07Å; P255-R261 HydrophobicContact CG-CG 3.95Å; P255-R261 PolarHBondContact O-NE 3.25Å; P255-R261 VanDerWaalsContact O-NE 3.09Å; P255-R261 PolarHBondContact O-NH2 3.03Å; P255-R261 VanDerWaalsContact O-NH2 3.13Å; L256-R261 PolarHBondContact O-NH2 3.01Å; S257-R261 PolarHBondContact O-N 3.33Å; Q258-R261 WeakPolarHBondContact O-CA 3.08Å; Q258-R261 WeakPolarHBondContact O-CB 3.43Å; Q258-R261 PolarHBondContact O-N 3.39Å; R261-Q263 PolarHBondContact O-N 2.85Å; R261-S264 WeakPolarHBondContact O-CA 3.34Å; R261-S264 PolarHBondContact O-N 3.33Å
262D94.2Very high89.6Confident113 Ų11368.1 Ų68.160%0.60435%0.35SS*.Hα-helixtrans-61.4-25.6177.4-59.8-21.6000111.7Q258 Y259Q258-D262 PolarHBondContact NE2-OD1 3.14Å; Q258-D262 PolarHBondContact O-N 2.92Å; Y259-D262 PolarHBondContact O-N 3.07Å
263Q94.1Very high89.4Confident111 Ų11169.8 Ų69.852%0.51935%0.354SS..THydrogen-bonded Turntrans-921.3174-66.6-171.1-19.400114.2Y259 R261 C265Y259-Q263 PolarHBondContact O-N 2.8Å; Y259-Q263 PolarHBondContact OH-NE2 3.31Å; Y259-Q263 VanDerWaalsContact OH-NE2 3.13Å; R261-Q263 PolarHBondContact O-N 2.85Å; Q263-C265 PolarHBondContact O-N 3.2Å; Q263-C265 VanDerWaalsContact O-N 3.15Å
264S91.4Very high88.7Confident67 Ų6771.2 Ų71.247%0.46936%0.364SS..THydrogen-bonded Turntrans47.841.1-173.3-55.90000112.8L260 R261L260-S264 PolarHBondContact O-N 3.32Å; R261-S264 WeakPolarHBondContact O-CA 3.34Å; R261-S264 PolarHBondContact O-N 3.33Å
265C89.8Confident88.2Confident40 Ų4070.7 Ų70.727%0.2737%0.366SS..  trans-69.1138.9-173.6-174.20000111.3F254 L260 Q263F254-C265 WeakPolarHBondContact CE1-O 3.42Å; L260-C265 HydrophobicContact CB-CB 4.19Å; L260-C265 HydrophobicContact CD2-CB 4.18Å; L260-C265 WeakPolarHBondContact O-CB 3.18Å; L260-C265 PolarHBondContact O-N 2.84Å; Q263-C265 PolarHBondContact O-N 3.2Å; Q263-C265 VanDerWaalsContact O-N 3.15Å
266F89.5Confident87.5Confident106 Ų10673 Ų7347%0.46538%0.382SS..  trans-138.4146.3173.278-87.4000109.3E237 F239 P241E237-F266 WeakPolarHBondContact OE2-CA 3.48Å; E237-F266 VanDerWaalsContact OE2-CB 3.26Å; E237-F266 WeakPolarHBondContact OE2-CB 3.33Å; F239-F266 HydrophobicContact CB-CB 4.28Å; P241-F266 HydrophobicContact CG-CE2 4.09Å; P241-F266 HydrophobicContact CG-CZ 4.09Å
267C85.9Confident86.7Confident54 Ų5472.8 Ų72.837%0.36538%0.38SS..  trans-96.7-32.9-180-610000111.6E237 A271 R272E237-C267 VanDerWaalsContact OE1-CB 3.31Å; E237-C267 WeakPolarHBondContact OE1-CB 3.5Å; E237-C267 PolarHBondContact OE1-N 3.47Å; E237-C267 PolarHBondContact OE2-N 3.22Å; C267-A271 HydrophobicContact CB-CB 4.2Å; C267-A271 WeakPolarHBondContact O-CB 3.23Å; C267-R272 HydrophobicContact CB-CG 4.14Å
268G86.3Confident85.7Confident14 Ų1472 Ų7214%0.14438%0.377CS..Hα-helixtrans73.5159.8-175.300000113.9E237 N270 A271 R272E237-G268 PolarHBondContact OE1-N 3.2Å; E237-G268 VanDerWaalsContact OE1-N 3.09Å; E237-G268 PolarHBondContact OE2-N 3.4Å; G268-N270 PolarHBondContact O-N 2.91Å; G268-A271 PolarHBondContact O-N 3.26Å; G268-R272 VanDerWaalsContact C-NH1 3.3Å; G268-R272 WeakPolarHBondContact O-CG 3.35Å; G268-R272 PolarHBondContact O-N 3.32Å
269R83.5Confident84.5Confident159 Ų15971.2 Ų71.260%0.638%0.376SS*.Hα-helixtrans-59.3-41.8-167.9-171.3177-174.5-83.8-0.3113.8R272 M273R269-R272 PolarHBondContact O-N 2.93Å; R269-M273 HydrophobicContact CG-CG 4.33Å; R269-M273 WeakPolarHBondContact O-CB 3.24Å; R269-M273 VanDerWaalsContact O-CG 3.26Å; R269-M273 WeakPolarHBondContact O-CG 3.43Å; R269-M273 PolarHBondContact O-N 3.13Å
270N82.3Confident83.3Confident111 Ų11169.3 Ų69.359%0.59437%0.372SS*.Hα-helixtrans-67.8-39.3-175.9-69.7-16.1000112.2G268 M273 S274G268-N270 PolarHBondContact O-N 2.91Å; N270-M273 PolarHBondContact O-N 2.89Å; N270-S274 WeakPolarHBondContact O-CB 3.31Å; N270-S274 PolarHBondContact O-N 3Å; N270-S274 PolarHBondContact O-OG 3.5Å
271A83.8Confident82.1Confident49 Ų4974 Ų7441%0.40539%0.386SS..Hα-helixtrans-64.7-44.4174.500000110.7C267 G268 M273 S274 A275C267-A271 HydrophobicContact CB-CB 4.2Å; C267-A271 WeakPolarHBondContact O-CB 3.23Å; G268-A271 PolarHBondContact O-N 3.26Å; A271-M273 PolarHBondContact O-N 3.49Å; A271-S274 WeakPolarHBondContact O-CB 3.43Å; A271-S274 PolarHBondContact O-N 3.29Å; A271-S274 VanDerWaalsContact O-N 3.16Å; A271-A275 WeakPolarHBondContact O-CB 3.39Å; A271-A275 PolarHBondContact O-N 2.72Å
272R86.9Confident80.8Confident29 Ų2972.4 Ų72.411%0.10938%0.384CS..Hα-helixtrans-63.7-38.1177.2-63.7-157.1-53.8-82.112.5113.4Y232 L235 E237 C267 G268 R269 C276Y232-R272 WeakPolarHBondContact O-CB 3.45Å; Y232-R272 WeakPolarHBondContact O-CD 3.44Å; Y232-R272 PolarHBondContact O-NE 2.98Å; L235-R272 PolarHBondContact O-NE 2.96Å; L235-R272 VanDerWaalsContact O-NE 3.11Å; L235-R272 PolarHBondContact O-NH2 3.34Å; E237-R272 WeakPolarHBondContact OE1-CD 3.26Å; E237-R272 IonicContact OE1-CZ 3.27Å; E237-R272 IonicContact OE1-NE 3.51Å; E237-R272 IonicContact OE1-NH1 2.88Å; E237-R272 PolarHBondContact OE1-NH1 3.27Å; E237-R272 IonicContact OE2-NH1 3.54Å; C267-R272 HydrophobicContact CB-CG 4.14Å; G268-R272 VanDerWaalsContact C-NH1 3.3Å; G268-R272 WeakPolarHBondContact O-CG 3.35Å; G268-R272 PolarHBondContact O-N 3.32Å; R269-R272 PolarHBondContact O-N 2.93Å; R272-C276 PolarHBondContact O-N 2.99Å; R272-C276 PolarHBondContact O-SG 2.67Å
273M82.9Confident79.4Confident76 Ų7671.6 Ų71.637%0.37439%0.388SS..Hα-helixtrans-62.6-44.2171.9-73.8-68.2-60.400111.2H233 R269 N270 A271 C276H233-M273 HydrophobicContact CB-CG 3.97Å; H233-M273 HydrophobicContact CB-SD 3.24Å; H233-M273 WeakPolarHBondContact CB-SD 3.16Å; R269-M273 HydrophobicContact CG-CG 4.33Å; R269-M273 WeakPolarHBondContact O-CB 3.24Å; R269-M273 VanDerWaalsContact O-CG 3.26Å; R269-M273 WeakPolarHBondContact O-CG 3.43Å; R269-M273 PolarHBondContact O-N 3.13Å; N270-M273 PolarHBondContact O-N 2.89Å; A271-M273 PolarHBondContact O-N 3.49Å; M273-C276 WeakPolarHBondContact O-CB 3.46Å; M273-C276 PolarHBondContact O-N 3.1Å
274S77.7Confident78.1Confident32 Ų3272.2 Ų72.222%0.22439%0.394CS..Hα-helixtrans-65.8-38.3179.3-56.30000112N270 A271 C276 L277N270-S274 WeakPolarHBondContact O-CB 3.31Å; N270-S274 PolarHBondContact O-N 3Å; N270-S274 PolarHBondContact O-OG 3.5Å; A271-S274 WeakPolarHBondContact O-CB 3.43Å; A271-S274 PolarHBondContact O-N 3.29Å; A271-S274 VanDerWaalsContact O-N 3.16Å; S274-C276 PolarHBondContact O-N 2.66Å; S274-C276 VanDerWaalsContact O-N 3.14Å; S274-L277 WeakPolarHBondContact O-CB 3.3Å; S274-L277 PolarHBondContact O-N 3.41Å
275A80.1Confident76.8Confident25 Ų2572.3 Ų72.321%0.20741%0.406CS..Hα-helixtrans-62.3-19.1175.900000113.6Y232 A271 L277 F376Y232-A275 HydrophobicContact CD2-CB 3.83Å; Y232-A275 WeakPolarHBondContact CD2-O 3.34Å; Y232-A275 HydrophobicContact CE2-CB 4.49Å; Y232-A275 HydrophobicContact CG-CB 4.26Å; A271-A275 WeakPolarHBondContact O-CB 3.39Å; A271-A275 PolarHBondContact O-N 2.72Å; A275-L277 PolarHBondContact O-N 3.1Å; A275-F376 HydrophobicContact CB-CB 4.41Å
276C77.9Confident75.6Confident49 Ų4976 Ų7633%0.33142%0.419SS..THydrogen-bonded Turntrans-76.6-8.8174.8-61.80000113.2Y232 H233 R272 M273 S274Y232-C276 PolarHBondContact N-SG 3.13Å; H233-C276 PolarHBondContact ND1-SG 3.08Å; H233-C276 VanDerWaalsContact ND1-SG 3.39Å; R272-C276 PolarHBondContact O-N 2.99Å; R272-C276 PolarHBondContact O-SG 2.67Å; M273-C276 WeakPolarHBondContact O-CB 3.46Å; M273-C276 PolarHBondContact O-N 3.1Å; S274-C276 PolarHBondContact O-N 2.66Å; S274-C276 VanDerWaalsContact O-N 3.14Å
277L74.7Confident74.4Confident61 Ų6172.4 Ų72.432%0.31941%0.412SS..SBendtrans-91.5127.3-177.6-56.5-178.1000111S274 A275 L279 I288S274-L277 WeakPolarHBondContact O-CB 3.3Å; S274-L277 PolarHBondContact O-N 3.41Å; A275-L277 PolarHBondContact O-N 3.1Å; L277-L279 PolarHBondContact O-N 3.23Å; L277-I288 HydrophobicContact CD1-CD1 4.19Å; L277-I288 HydrophobicContact CD2-CD1 3.47Å; L277-I288 VanDerWaalsContact CD2-CD1 3.47Å; L277-I288 HydrophobicContact CD2-CG1 4.21Å; L277-I288 HydrophobicContact CG-CD1 4.48Å
278A69.8Low73.6Confident34 Ų3473 Ų7328%0.28141%0.411SS..  trans-83.5103.1174.900000110.5E280 R281 V282A278-E280 PolarHBondContact O-N 2.86Å; A278-E280 VanDerWaalsContact O-N 3.16Å; A278-R281 HydrophobicContact CB-CB 4.4Å; A278-R281 HydrophobicContact CB-CG 4.01Å; A278-R281 PolarHBondContact O-N 3.05Å; A278-R281 VanDerWaalsContact O-N 3.14Å; A278-V282 PolarHBondContact O-N 2.96Å
279L66.3Low73.1Confident94 Ų9478.2 Ų78.249%0.49243%0.431SS..Hα-helixtrans-54.6-33.6179.9-173.363.7000113.5L277 V282 S283 R371L277-L279 PolarHBondContact O-N 3.23Å; L279-V282 WeakPolarHBondContact O-CB 3.49Å; L279-V282 PolarHBondContact O-N 3.12Å; L279-S283 PolarHBondContact O-N 3.31Å; L279-S283 PolarHBondContact O-OG 2.75Å; L279-R371 HydrophobicContact CD1-CB 3.84Å; L279-R371 HydrophobicContact CD1-CG 4.34Å
280E69Low73Confident112 Ų11271.5 Ų71.552%0.52341%0.407SS..Hα-helixtrans-63.7-44.9178.4-174.8176.6-158.300112.5A278 V282 S283 L284 R377A278-E280 PolarHBondContact O-N 2.86Å; A278-E280 VanDerWaalsContact O-N 3.16Å; E280-V282 PolarHBondContact O-N 3.44Å; E280-S283 PolarHBondContact O-N 3.23Å; E280-L284 WeakPolarHBondContact O-CG 3.33Å; E280-L284 PolarHBondContact O-N 3.44Å; E280-R377 IonicContact OE2-CZ 3.54Å; E280-R377 IonicContact OE2-NH1 3Å; E280-R377 PolarHBondContact OE2-NH1 3.24Å; E280-R377 IonicContact OE2-NH2 3.15Å
281R67.3Low73.2Confident148 Ų14870.2 Ų70.256%0.55840%0.397SS*.Hα-helixtrans-63.3-36.2177.7-63.7-170.178.3151.25.7111.5A278 L284 Q286A278-R281 HydrophobicContact CB-CB 4.4Å; A278-R281 HydrophobicContact CB-CG 4.01Å; A278-R281 PolarHBondContact O-N 3.05Å; A278-R281 VanDerWaalsContact O-N 3.14Å; R281-L284 PolarHBondContact O-N 3.46Å; R281-Q286 HydrophobicContact CB-CB 4.31Å; R281-Q286 CarbonylContact O-C 3.59Å; R281-Q286 VanDerWaalsContact O-C 3.31Å; R281-Q286 VanDerWaalsContact O-CA 3.27Å; R281-Q286 WeakPolarHBondContact O-CA 3.42Å; R281-Q286 VanDerWaalsContact O-CB 3.31Å; R281-Q286 WeakPolarHBondContact O-CB 3.37Å; R281-Q286 PolarHBondContact O-N 2.82Å
282V63Low73.5Confident36 Ų3668.9 Ų68.922%0.21839%0.385CS..Hα-helixtrans-65.9-44.2176.3169.80000111.3A278 L279 E280 L284 G285 R371A278-V282 PolarHBondContact O-N 2.96Å; L279-V282 WeakPolarHBondContact O-CB 3.49Å; L279-V282 PolarHBondContact O-N 3.12Å; E280-V282 PolarHBondContact O-N 3.44Å; V282-L284 PolarHBondContact O-N 3.04Å; V282-G285 PolarHBondContact O-N 3.45Å; V282-R371 VanDerWaalsContact CG2-CZ 3.41Å
283S65.3Low73.6Confident96 Ų9670.6 Ų70.667%0.67140%0.396SS*.Hα-helixtrans-62.6-27.1-179.5-550000111.9L279 E280 G285L279-S283 PolarHBondContact O-N 3.31Å; L279-S283 PolarHBondContact O-OG 2.75Å; E280-S283 PolarHBondContact O-N 3.23Å; S283-G285 VanDerWaalsContact C-N 3.3Å
284L66.9Low74Confident124 Ų12467.4 Ų67.465%0.64938%0.38SS*.THydrogen-bonded Turntrans-87.711.6174.5-62.1172.9000113.7E280 R281 V282 Q286E280-L284 WeakPolarHBondContact O-CG 3.33Å; E280-L284 PolarHBondContact O-N 3.44Å; R281-L284 PolarHBondContact O-N 3.46Å; V282-L284 PolarHBondContact O-N 3.04Å; L284-Q286 HydrophobicContact CB-CG 4.41Å; L284-Q286 PolarHBondContact O-N 3.5Å; L284-Q286 VanDerWaalsContact O-N 3.12Å
285G64.4Low74.8Confident70 Ų7066.9 Ų66.972%0.72237%0.374SS*.THydrogen-bonded Turntrans71.8-1.2-177.500000114.7V282 S283 G287V282-G285 PolarHBondContact O-N 3.45Å; S283-G285 VanDerWaalsContact C-N 3.3Å; G285-G287 PolarHBondContact O-N 2.71Å; G285-G287 VanDerWaalsContact O-N 3.08Å
286Q64.6Low75.4Confident117 Ų11770.5 Ų70.555%0.54738%0.382SS..  trans-84.134175.9-54.3-178-13.500112.1R281 L284R281-Q286 HydrophobicContact CB-CB 4.31Å; R281-Q286 CarbonylContact O-C 3.59Å; R281-Q286 VanDerWaalsContact O-C 3.31Å; R281-Q286 VanDerWaalsContact O-CA 3.27Å; R281-Q286 WeakPolarHBondContact O-CA 3.42Å; R281-Q286 VanDerWaalsContact O-CB 3.31Å; R281-Q286 WeakPolarHBondContact O-CB 3.37Å; R281-Q286 PolarHBondContact O-N 2.82Å; L284-Q286 HydrophobicContact CB-CG 4.41Å; L284-Q286 PolarHBondContact O-N 3.5Å; L284-Q286 VanDerWaalsContact O-N 3.12Å
287G63.4Low76Confident31 Ų3170.3 Ų70.332%0.3238%0.384SS..  trans-67.4177.718000000113G285 Q289G285-G287 PolarHBondContact O-N 2.71Å; G285-G287 VanDerWaalsContact O-N 3.08Å; G287-Q289 PolarHBondContact O-N 3.45Å
288I68.9Low77Confident66 Ų6667.6 Ų67.634%0.33837%0.37SS..  trans-61.3134.7174.7-45.8171.6000109.2L277 M290 L293L277-I288 HydrophobicContact CD1-CD1 4.19Å; L277-I288 HydrophobicContact CD2-CD1 3.47Å; L277-I288 VanDerWaalsContact CD2-CD1 3.47Å; L277-I288 HydrophobicContact CD2-CG1 4.21Å; L277-I288 HydrophobicContact CG-CD1 4.48Å; I288-M290 PolarHBondContact O-N 2.99Å; I288-L293 HydrophobicContact CB-CD1 4.43Å; I288-L293 HydrophobicContact CD1-CD1 4.48Å; I288-L293 HydrophobicContact CG2-CD1 3.59Å; I288-L293 HydrophobicContact CG2-CG 3.99Å
289Q76.1Confident78.1Confident123 Ų12366.1 Ų66.158%0.57536%0.357SS*.  trans-66.8102.2172.5-67.1-161.113.500110G287 S292 L293G287-Q289 PolarHBondContact O-N 3.45Å; Q289-S292 PolarHBondContact O-N 2.88Å; Q289-S292 PolarHBondContact O-OG 3.35Å; Q289-L293 PolarHBondContact O-N 2.81Å
290M81.8Confident79.3Confident19 Ų1967.9 Ų67.99%0.09436%0.363CS..Hα-helixtrans-65.1-41.4-171.5-72.4-62.6-71.300112.5I288 S292 L293 F294 M363 H364 N367I288-M290 PolarHBondContact O-N 2.99Å; M290-S292 VanDerWaalsContact C-N 3.25Å; M290-S292 PolarHBondContact O-N 3.26Å; M290-L293 WeakPolarHBondContact O-CB 3.35Å; M290-L293 PolarHBondContact O-N 3.17Å; M290-L293 HydrophobicContact SD-CD1 4.35Å; M290-F294 PolarHBondContact O-N 3.15Å; M290-M363 HydrophobicContact CB-CE 4.3Å; M290-M363 HydrophobicContact CE-CB 3.68Å; M290-M363 HydrophobicContact CE-CE 3.41Å; M290-M363 VanDerWaalsContact CE-CE 3.41Å; M290-M363 HydrophobicContact CE-CG 3.68Å; M290-M363 VanDerWaalsContact CE-O 3.23Å; M290-M363 WeakPolarHBondContact CE-O 3.34Å; M290-M363 HydrophobicContact CE-SD 4.38Å; M290-M363 WeakPolarHBondContact O-CE 3.46Å; M290-M363 HydrophobicContact SD-CE 4.16Å; M290-H364 VanDerWaalsContact CG-CE1 3.45Å; M290-H364 WeakPolarHBondContact CG-CE1 3.48Å; M290-N367 HydrophobicContact CE-CB 4.32Å; M290-N367 HydrophobicContact SD-CB 4.35Å; M290-N367 PolarHBondContact SD-ND2 2.93Å
291E87.6Confident80.4Confident83 Ų8363.7 Ų63.739%0.38835%0.345SS..Hα-helixtrans-58.8-38.2178.1-168.3-178-171.300112L293 F294 Y295 Y320E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 2.94Å; E291-F294 WeakPolarHBondContact O-CB 3.25Å; E291-F294 PolarHBondContact O-N 2.94Å; E291-Y295 HydrophobicContact CG-CD1 4.03Å; E291-Y295 HydrophobicContact CG-CE1 3.62Å; E291-Y295 VanDerWaalsContact O-CD1 3.29Å; E291-Y295 WeakPolarHBondContact O-CD1 3.44Å; E291-Y295 PolarHBondContact O-N 2.88Å; E291-Y295 PolarHBondContact OE1-OH 2.88Å; E291-Y295 VanDerWaalsContact OE1-OH 3.12Å; E291-Y320 HydrophobicContact CB-CE2 4.28Å; E291-Y320 WeakPolarHBondContact CB-OH 3.39Å; E291-Y320 VanDerWaalsContact CD-OH 3.31Å; E291-Y320 HydrophobicContact CG-CE2 4Å; E291-Y320 PolarHBondContact OE2-OH 3Å
292S89.2Confident81.7Confident22 Ų2256.6 Ų56.615%0.15432%0.318CS..Hα-helixtrans-63.4-35.2175.782.30000113.4Q289 M290 R296 Y320Q289-S292 PolarHBondContact O-N 2.88Å; Q289-S292 PolarHBondContact O-OG 3.35Å; M290-S292 VanDerWaalsContact C-N 3.25Å; M290-S292 PolarHBondContact O-N 3.26Å; S292-R296 WeakPolarHBondContact O-CG 3.42Å; S292-R296 PolarHBondContact O-N 3.09Å; S292-Y320 VanDerWaalsContact CB-CD1 3.45Å; S292-Y320 VanDerWaalsContact CB-CG 3.44Å
293L88.4Confident83Confident65 Ų6555.5 Ų55.534%0.3431%0.311SS..Hα-helixtrans-74.3-36.9175.8-68.7-178.3000110.9I288 Q289 M290 E291 R296 A297 M363I288-L293 HydrophobicContact CB-CD1 4.43Å; I288-L293 HydrophobicContact CD1-CD1 4.48Å; I288-L293 HydrophobicContact CG2-CD1 3.59Å; I288-L293 HydrophobicContact CG2-CG 3.99Å; Q289-L293 PolarHBondContact O-N 2.81Å; M290-L293 WeakPolarHBondContact O-CB 3.35Å; M290-L293 PolarHBondContact O-N 3.17Å; M290-L293 HydrophobicContact SD-CD1 4.35Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 2.94Å; L293-R296 WeakPolarHBondContact O-CB 3.27Å; L293-R296 PolarHBondContact O-N 3.43Å; L293-A297 WeakPolarHBondContact O-CB 3.13Å; L293-A297 PolarHBondContact O-N 3.28Å; L293-M363 HydrophobicContact CB-CE 3.71Å; L293-M363 HydrophobicContact CB-SD 4.26Å
294F91.8Very high84.2Confident8 Ų858.2 Ų58.24%0.03531%0.306CS..Hα-helixtrans-62.1-49.8177176.7-111.1000109.9M290 E291 R296 A297 V298 H353 Y356 M360 M363M290-F294 PolarHBondContact O-N 3.15Å; E291-F294 WeakPolarHBondContact O-CB 3.25Å; E291-F294 PolarHBondContact O-N 2.94Å; F294-R296 PolarHBondContact O-N 3.34Å; F294-A297 WeakPolarHBondContact O-CB 3.43Å; F294-A297 PolarHBondContact O-N 3.12Å; F294-V298 HydrophobicContact CD1-CG2 4.43Å; F294-V298 HydrophobicContact CD2-CG2 4.09Å; F294-V298 HydrophobicContact CE1-CG2 4.03Å; F294-V298 HydrophobicContact CE2-CG2 3.64Å; F294-V298 HydrophobicContact CG-CG2 4.45Å; F294-V298 HydrophobicContact CZ-CG2 3.6Å; F294-V298 WeakPolarHBondContact O-CG2 3.29Å; F294-V298 PolarHBondContact O-N 3.01Å; F294-H353 AromaticContact CE1-CD2 3.6Å; F294-H353 AromaticContact CE1-NE2 3.63Å; F294-Y356 VanDerWaalsContact CE2-O 3.26Å; F294-Y356 WeakPolarHBondContact CE2-O 3.5Å; F294-M360 HydrophobicContact CD1-CE 3.66Å; F294-M360 HydrophobicContact CE1-CE 3.88Å; F294-M360 HydrophobicContact CG-CE 4.04Å; F294-M360 HydrophobicContact CZ-CE 4.44Å; F294-M363 HydrophobicContact CB-CE 3.89Å
295Y94.2Very high85.4Confident21 Ų2155.7 Ų55.78%0.08229%0.294CS..Hα-helixtrans-56.9-40176.6-80.729.1000111.7E291 L299 Y320 F326 Y329 H353E291-Y295 HydrophobicContact CG-CD1 4.03Å; E291-Y295 HydrophobicContact CG-CE1 3.62Å; E291-Y295 VanDerWaalsContact O-CD1 3.29Å; E291-Y295 WeakPolarHBondContact O-CD1 3.44Å; E291-Y295 PolarHBondContact O-N 2.88Å; E291-Y295 PolarHBondContact OE1-OH 2.88Å; E291-Y295 VanDerWaalsContact OE1-OH 3.12Å; Y295-L299 WeakPolarHBondContact O-CB 3.41Å; Y295-L299 PolarHBondContact O-N 3.17Å; Y295-Y320 AromaticContact CD2-CD2 3.68Å; Y295-Y320 HydrophobicContact CD2-CD2 3.68Å; Y295-Y320 AromaticContact CD2-CE2 3.87Å; Y295-Y320 HydrophobicContact CD2-CE2 3.87Å; Y295-Y320 HydrophobicContact CE2-CD2 4.15Å; Y295-Y320 AromaticContact CE2-CE2 3.97Å; Y295-Y320 HydrophobicContact CE2-CE2 3.97Å; Y295-Y320 HydrophobicContact CG-CD2 4.14Å; Y295-Y320 HydrophobicContact CG-CE2 4.21Å; Y295-F326 AromaticContact CD1-CD2 3.72Å; Y295-F326 HydrophobicContact CD1-CD2 3.72Å; Y295-F326 HydrophobicContact CD1-CE2 4.43Å; Y295-F326 HydrophobicContact CD2-CB 4.48Å; Y295-F326 AromaticContact CD2-CD2 3.81Å; Y295-F326 HydrophobicContact CD2-CD2 3.81Å; Y295-F326 HydrophobicContact CE1-CB 4.16Å; Y295-F326 HydrophobicContact CE1-CD2 4.03Å; Y295-F326 VanDerWaalsContact CE2-CA 3.45Å; Y295-F326 HydrophobicContact CE2-CB 3.93Å; Y295-F326 HydrophobicContact CE2-CD2 4.1Å; Y295-F326 AromaticContact CG-CD2 3.61Å; Y295-F326 HydrophobicContact CG-CD2 3.61Å; Y295-F326 HydrophobicContact CG-CE2 4.22Å; Y295-F326 PolarHBondContact OH-N 3.28Å; Y295-Y329 AromaticContact CD2-CD1 3.92Å; Y295-Y329 HydrophobicContact CD2-CD1 3.92Å; Y295-Y329 HydrophobicContact CD2-CD2 4.1Å; Y295-Y329 AromaticContact CD2-CG 3.62Å; Y295-Y329 HydrophobicContact CD2-CG 3.62Å; Y295-Y329 HydrophobicContact CG-CD1 4.3Å; Y295-Y329 HydrophobicContact CG-CG 4.41Å; Y295-Y329 WeakPolarHBondContact O-CE1 3.36Å; Y295-H353 AromaticContact CE1-CD2 3.96Å; Y295-H353 AromaticContact CE1-NE2 3.84Å
296R92Very high86.6Confident101 Ų10155.8 Ų55.838%0.38128%0.275SS..Hα-helixtrans-66.2-41174.7-77.7171.2170.9-115.10.3112.8S292 L293 F294 H300 G317 Y329S292-R296 WeakPolarHBondContact O-CG 3.42Å; S292-R296 PolarHBondContact O-N 3.09Å; L293-R296 WeakPolarHBondContact O-CB 3.27Å; L293-R296 PolarHBondContact O-N 3.43Å; F294-R296 PolarHBondContact O-N 3.34Å; R296-H300 PolarHBondContact O-N 3.27Å; R296-G317 PolarHBondContact NH2-O 3.48Å; R296-Y329 WeakPolarHBondContact CG-OH 3.12Å
297A91.9Very high87.6Confident46 Ų4651.7 Ų51.738%0.3826%0.255SS..Hα-helixtrans-66.6-46.8179.800000111.3L293 F294 H300 V301L293-A297 WeakPolarHBondContact O-CB 3.13Å; L293-A297 PolarHBondContact O-N 3.28Å; F294-A297 WeakPolarHBondContact O-CB 3.43Å; F294-A297 PolarHBondContact O-N 3.12Å; A297-H300 WeakPolarHBondContact O-CB 3.46Å; A297-H300 PolarHBondContact O-N 3.48Å; A297-H300 VanDerWaalsContact O-N 3.15Å; A297-V301 PolarHBondContact O-N 2.78Å
298V94.3Very high88.4Confident3 Ų354.4 Ų54.42%0.01827%0.269CS..Hα-helixtrans-64.9-40.6176.7-175.30000110.7F294 H300 V301 I302 F326 Y352F294-V298 HydrophobicContact CD1-CG2 4.43Å; F294-V298 HydrophobicContact CD2-CG2 4.09Å; F294-V298 HydrophobicContact CE1-CG2 4.03Å; F294-V298 HydrophobicContact CE2-CG2 3.64Å; F294-V298 HydrophobicContact CG-CG2 4.45Å; F294-V298 HydrophobicContact CZ-CG2 3.6Å; F294-V298 WeakPolarHBondContact O-CG2 3.29Å; F294-V298 PolarHBondContact O-N 3.01Å; V298-H300 VanDerWaalsContact C-N 3.27Å; V298-H300 PolarHBondContact O-N 3.2Å; V298-V301 WeakPolarHBondContact O-CB 3.14Å; V298-V301 PolarHBondContact O-N 2.93Å; V298-I302 HydrophobicContact CG1-CD1 4.4Å; V298-I302 PolarHBondContact O-N 3.34Å; V298-F326 HydrophobicContact CB-CE2 3.95Å; V298-F326 HydrophobicContact CB-CZ 3.73Å; V298-F326 HydrophobicContact CG1-CE1 4.05Å; V298-F326 HydrophobicContact CG1-CE2 4.12Å; V298-F326 HydrophobicContact CG1-CZ 3.39Å; V298-Y352 WeakPolarHBondContact CG1-O 3.44Å
299L93.8Very high88.4Confident3 Ų353 Ų532%0.01627%0.265CS..Hα-helixtrans-55.9-40.9172.1174.367.7000112.1Y295 V301 I302 L303 V316 Y329 V330 A333Y295-L299 WeakPolarHBondContact O-CB 3.41Å; Y295-L299 PolarHBondContact O-N 3.17Å; L299-V301 VanDerWaalsContact C-N 3.3Å; L299-V301 PolarHBondContact O-N 3.25Å; L299-I302 PolarHBondContact O-N 3.4Å; L299-L303 HydrophobicContact CD1-CD1 4.33Å; L299-L303 HydrophobicContact CD1-CG 4.14Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 HydrophobicContact CG-CG 4.27Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 VanDerWaalsContact O-CG 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.26Å; L299-L303 PolarHBondContact O-N 3.07Å; L299-V316 HydrophobicContact CD2-CG2 4.2Å; L299-Y329 HydrophobicContact CB-CE1 4.1Å; L299-Y329 HydrophobicContact CD2-CE1 3.9Å; L299-V330 HydrophobicContact CD1-CG1 4.16Å; L299-V330 HydrophobicContact CD1-CG2 4.28Å; L299-A333 HydrophobicContact CD1-CB 4.16Å; L299-A333 HydrophobicContact CD2-CB 3.53Å
300H91.6Very high87.8Confident132 Ų13257.3 Ų57.361%0.61128%0.278SS*.Hα-helixtrans-63.3-35.5176.4-75.1164.9000112.9R296 A297 V298 L303 R304R296-H300 PolarHBondContact O-N 3.27Å; A297-H300 WeakPolarHBondContact O-CB 3.46Å; A297-H300 PolarHBondContact O-N 3.48Å; A297-H300 VanDerWaalsContact O-N 3.15Å; V298-H300 VanDerWaalsContact C-N 3.27Å; V298-H300 PolarHBondContact O-N 3.2Å; H300-L303 PolarHBondContact O-N 3.18Å; H300-R304 WeakPolarHBondContact O-CB 3.34Å; H300-R304 PolarHBondContact O-N 2.96Å
301V92.8Very high87Confident23 Ų2365.3 Ų65.314%0.13931%0.312CS..Hα-helixtrans-63.1-49.5173.9177.60000109.7A297 V298 L299 L303 R304 D305 Y352 Y356A297-V301 PolarHBondContact O-N 2.78Å; V298-V301 WeakPolarHBondContact O-CB 3.14Å; V298-V301 PolarHBondContact O-N 2.93Å; L299-V301 VanDerWaalsContact C-N 3.3Å; L299-V301 PolarHBondContact O-N 3.25Å; V301-L303 VanDerWaalsContact C-N 3.32Å; V301-L303 PolarHBondContact O-N 3.01Å; V301-R304 WeakPolarHBondContact O-CB 3.23Å; V301-R304 PolarHBondContact O-N 2.95Å; V301-R304 VanDerWaalsContact O-N 3.12Å; V301-D305 VanDerWaalsContact CG1-OD2 3.3Å; V301-D305 WeakPolarHBondContact CG1-OD2 3.25Å; V301-D305 WeakPolarHBondContact O-CB 3.43Å; V301-D305 PolarHBondContact O-N 2.88Å; V301-Y352 HydrophobicContact CG1-CD1 4.04Å; V301-Y352 HydrophobicContact CG1-CE1 3.84Å; V301-Y356 HydrophobicContact CG1-CE2 4.2Å
302I93.2Very high86Confident0 Ų064.3 Ų64.30%031%0.314CS..Hα-helixtrans-57.2-44.8176.9-64.7170.9000111.5V298 L299 R304 D305 H306 F326 V330 L344 I349 Y352V298-I302 HydrophobicContact CG1-CD1 4.4Å; V298-I302 PolarHBondContact O-N 3.34Å; L299-I302 PolarHBondContact O-N 3.4Å; I302-R304 VanDerWaalsContact C-N 3.32Å; I302-R304 PolarHBondContact O-N 3.18Å; I302-D305 PolarHBondContact O-N 3.08Å; I302-H306 PolarHBondContact O-N 2.89Å; I302-F326 HydrophobicContact CD1-CE1 4.07Å; I302-F326 HydrophobicContact CD1-CZ 3.92Å; I302-V330 HydrophobicContact CD1-CG1 4.41Å; I302-V330 HydrophobicContact CD1-CG2 4.07Å; I302-L344 HydrophobicContact CG2-CD1 3.44Å; I302-L344 VanDerWaalsContact CG2-CD1 3.44Å; I302-I349 HydrophobicContact CD1-CG2 4.43Å; I302-Y352 HydrophobicContact CD1-CD2 4.18Å; I302-Y352 HydrophobicContact CD1-CG 4.14Å; I302-Y352 HydrophobicContact CG1-CD1 3.99Å; I302-Y352 HydrophobicContact CG1-CD2 3.75Å; I302-Y352 HydrophobicContact CG1-CE1 4.34Å; I302-Y352 HydrophobicContact CG1-CE2 4.12Å; I302-Y352 HydrophobicContact CG1-CG 3.67Å
303L92Very high85.1Confident13 Ų1372.8 Ų72.87%0.06835%0.351CS..Hα-helixtrans-63.4-37.2178.9-72.1175.3000112.7L299 H300 V301 Y307 S308 S309 L334 L337 L339L299-L303 HydrophobicContact CD1-CD1 4.33Å; L299-L303 HydrophobicContact CD1-CG 4.14Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 HydrophobicContact CG-CG 4.27Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 VanDerWaalsContact O-CG 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.26Å; L299-L303 PolarHBondContact O-N 3.07Å; H300-L303 PolarHBondContact O-N 3.18Å; V301-L303 VanDerWaalsContact C-N 3.32Å; V301-L303 PolarHBondContact O-N 3.01Å; L303-Y307 HydrophobicContact CD2-CD2 4.06Å; L303-Y307 HydrophobicContact CD2-CG 4.45Å; L303-Y307 CarbonylContact O-C 3.52Å; L303-Y307 WeakPolarHBondContact O-CA 3.31Å; L303-Y307 WeakPolarHBondContact O-CB 3.38Å; L303-Y307 PolarHBondContact O-N 3.26Å; L303-Y307 VanDerWaalsContact O-N 3.16Å; L303-S308 PolarHBondContact O-N 2.89Å; L303-S309 PolarHBondContact O-N 2.82Å; L303-L334 HydrophobicContact CD2-CD2 3.84Å; L303-L337 HydrophobicContact CD1-CD1 3.85Å; L303-L337 HydrophobicContact CD2-CD1 4.03Å; L303-L339 HydrophobicContact CD2-CD1 3.4Å; L303-L339 VanDerWaalsContact CD2-CD1 3.4Å
304R89.9Confident84.7Confident152 Ų15273.7 Ų73.757%0.57435%0.352SS*.Hα-helixtrans-67.3-46.8175.4-176.8-169.266.3-166.5-3.4110.7H300 V301 I302H300-R304 WeakPolarHBondContact O-CB 3.34Å; H300-R304 PolarHBondContact O-N 2.96Å; V301-R304 WeakPolarHBondContact O-CB 3.23Å; V301-R304 PolarHBondContact O-N 2.95Å; V301-R304 VanDerWaalsContact O-N 3.12Å; I302-R304 VanDerWaalsContact C-N 3.32Å; I302-R304 PolarHBondContact O-N 3.18Å
305D91.3Very high84.3Confident72 Ų7284 Ų8439%0.38539%0.391SS..Hα-helixtrans-77.6-32.4-168.8-62.3-8.3000112.2V301 I302V301-D305 VanDerWaalsContact CG1-OD2 3.3Å; V301-D305 WeakPolarHBondContact CG1-OD2 3.25Å; V301-D305 WeakPolarHBondContact O-CB 3.43Å; V301-D305 PolarHBondContact O-N 2.88Å; I302-D305 PolarHBondContact O-N 3.08Å
306H89.8Confident83.8Confident71 Ų7184 Ų8433%0.32939%0.393SS..Hα-helixtrans-112-19.7-174.6-66.2-89.2000115.8I302 L344 Y352I302-H306 PolarHBondContact O-N 2.89Å; H306-L344 HydrophobicContact CB-CD2 4.48Å; H306-L344 VanDerWaalsContact CE1-CD2 3.49Å; H306-L344 WeakPolarHBondContact CE1-CD2 3.48Å; H306-Y352 PolarHBondContact CD2-OH 3.15Å; H306-Y352 AromaticContact NE2-CE2 3.56Å; H306-Y352 AromaticContact NE2-CZ 3.62Å; H306-Y352 PolarHBondContact NE2-OH 3.5Å
307Y86.8Confident83.4Confident31 Ų3180.6 Ų80.612%0.12239%0.39CS..Hα-helixtrans-122.4-3-171.9-61.9-88.7000113.9L303 S309 L334 L339 D340 K343 L344L303-Y307 HydrophobicContact CD2-CD2 4.06Å; L303-Y307 HydrophobicContact CD2-CG 4.45Å; L303-Y307 CarbonylContact O-C 3.52Å; L303-Y307 WeakPolarHBondContact O-CA 3.31Å; L303-Y307 WeakPolarHBondContact O-CB 3.38Å; L303-Y307 PolarHBondContact O-N 3.26Å; L303-Y307 VanDerWaalsContact O-N 3.16Å; Y307-S309 PolarHBondContact O-N 3.37Å; Y307-L334 HydrophobicContact CD2-CD2 4.41Å; Y307-L334 HydrophobicContact CE1-CD2 4.49Å; Y307-L334 HydrophobicContact CE2-CD2 3.78Å; Y307-L339 HydrophobicContact CD1-CB 4Å; Y307-L339 HydrophobicContact CD1-CD1 4.11Å; Y307-L339 HydrophobicContact CD1-CD2 4.09Å; Y307-L339 HydrophobicContact CD1-CG 4.29Å; Y307-L339 HydrophobicContact CE1-CB 3.87Å; Y307-L339 HydrophobicContact CG-CD1 4.12Å; Y307-D340 VanDerWaalsContact CE1-O 3.22Å; Y307-D340 WeakPolarHBondContact CE1-O 3.28Å; Y307-D340 VanDerWaalsContact CZ-O 3.32Å; Y307-D340 PolarHBondContact OH-O 3.48Å; Y307-K343 HydrophobicContact CE1-CD 4.09Å; Y307-L344 HydrophobicContact CE2-CD1 3.85Å
308S79.3Confident83.1Confident89 Ų8983.5 Ų83.562%0.62240%0.399SS*.  trans46.929.2-174.7-57.90000112.6L303 Y310L303-S308 PolarHBondContact O-N 2.89Å; S308-Y310 WeakPolarHBondContact O-CD1 3.46Å; S308-Y310 WeakPolarHBondContact O-CE1 3.49Å; S308-Y310 PolarHBondContact O-N 3.34Å
309S68.1Low82.9Confident37 Ų3783.5 Ų83.526%0.25940%0.399SS..  trans-98.693.7-172.6-168.80000109.2L303 Y307L303-S309 PolarHBondContact O-N 2.82Å; Y307-S309 PolarHBondContact O-N 3.37Å
310Y64.2Low82.7Confident213 Ų21385.5 Ų85.584%0.83541%0.407SS*.SBendtrans-88.7-20.9177.527.5-92.7000112.8S308S308-Y310 WeakPolarHBondContact O-CD1 3.46Å; S308-Y310 WeakPolarHBondContact O-CE1 3.49Å; S308-Y310 PolarHBondContact O-N 3.34Å
311K64.8Low82.5Confident187 Ų18783 Ų8381%0.81340%0.404SS*.  trans-146.5127.2177.6-64.7-175.8-178.4177.40109.5
312S67Low82.5Confident61 Ų6188 Ų8843%0.42742%0.424SS..  trans-129.1136.5172.4-177.90000109.1K314S312-K314 PolarHBondContact O-N 3.22Å; S312-K314 PolarHBondContact OG-N 2.74Å
313E70.5Confident82.5Confident200 Ų20089 Ų8994%0.93543%0.433SS*.SBendtrans-71.6-19.3171.1-62.7-168.6159.700111.7
314K80.6Confident82.6Confident84 Ų8497.7 Ų97.737%0.36547%0.47SS..SBendtrans-80.3143.5179.2-66171.1177.3158.80110.7S312 L337 E338S312-K314 PolarHBondContact O-N 3.22Å; S312-K314 PolarHBondContact OG-N 2.74Å; K314-L337 HydrophobicContact CB-CD2 3.95Å; K314-L337 VanDerWaalsContact CD-O 3.24Å; K314-L337 WeakPolarHBondContact CD-O 3.44Å; K314-L337 WeakPolarHBondContact O-CD2 3.3Å; K314-E338 HydrophobicContact CD-CG 4.38Å; K314-E338 WeakPolarHBondContact CE-OE1 3.48Å; K314-E338 WeakPolarHBondContact CE-OE2 3.43Å; K314-E338 IonicContact NZ-OE1 2.82Å; K314-E338 PolarHBondContact NZ-OE1 3.34Å; K314-E338 IonicContact NZ-OE2 3.06Å; K314-E338 PolarHBondContact NZ-OE2 2.98Å
315R82.3Confident82.8Confident224 Ų22492.8 Ų92.885%0.84546%0.459SS*.  trans-113.8127.3-177.7-64.4-173.2-177.9-159.70.8111.1G317R315-G317 VanDerWaalsContact C-N 3.31Å; R315-G317 PolarHBondContact O-N 3.18Å
316V84.3Confident83Confident21 Ų2189.5 Ų89.513%0.12744%0.441CS..  trans-59-43172.1179.50000110.8L299 V319 A333 R336 L337L299-V316 HydrophobicContact CD2-CG2 4.2Å; V316-V319 HydrophobicContact CG1-CB 4.04Å; V316-V319 HydrophobicContact CG1-CG2 3.58Å; V316-V319 VanDerWaalsContact O-CG2 3.24Å; V316-V319 WeakPolarHBondContact O-CG2 3.21Å; V316-A333 HydrophobicContact CG1-CB 3.73Å; V316-A333 HydrophobicContact CG2-CB 4.17Å; V316-R336 WeakPolarHBondContact O-CD 3.46Å; V316-R336 PolarHBondContact O-NH1 3.26Å; V316-L337 HydrophobicContact CG2-CD1 3.93Å; V316-L337 HydrophobicContact CG2-CD2 4.02Å; V316-L337 HydrophobicContact CG2-CG 3.99Å
317G84.1Confident83.4Confident31 Ų3187 Ų8732%0.3243%0.431SS..  trans69.1-158-179.700000113.4R296 R315 V319R296-G317 PolarHBondContact NH2-O 3.48Å; R315-G317 VanDerWaalsContact C-N 3.31Å; R315-G317 PolarHBondContact O-N 3.18Å; G317-V319 VanDerWaalsContact C-N 3.33Å; G317-V319 PolarHBondContact O-N 3.25Å
318N85.3Confident83.8Confident106 Ų10687.3 Ų87.357%0.56744%0.435SS*.SBendtrans-81.374.9-178.9-169.719.4000111.8S321N318-S321 PolarHBondContact ND2-OG 3.15Å
319V88.9Confident84.6Confident3 Ų383.1 Ų83.12%0.01841%0.405CS..  trans-86.2-35176.7173.30000111.8V316 G317 S321 K322 A323 Y329 R332V316-V319 HydrophobicContact CG1-CB 4.04Å; V316-V319 HydrophobicContact CG1-CG2 3.58Å; V316-V319 VanDerWaalsContact O-CG2 3.24Å; V316-V319 WeakPolarHBondContact O-CG2 3.21Å; G317-V319 VanDerWaalsContact C-N 3.33Å; G317-V319 PolarHBondContact O-N 3.25Å; V319-S321 VanDerWaalsContact C-N 3.3Å; V319-S321 PolarHBondContact O-N 3.05Å; V319-K322 PolarHBondContact O-N 3.43Å; V319-A323 PolarHBondContact O-N 2.91Å; V319-Y329 HydrophobicContact CB-CD2 4.15Å; V319-Y329 HydrophobicContact CB-CE2 3.92Å; V319-Y329 HydrophobicContact CG1-CD2 3.73Å; V319-Y329 HydrophobicContact CG1-CE2 4Å; V319-R332 HydrophobicContact CG1-CB 3.47Å; V319-R332 VanDerWaalsContact CG1-CB 3.47Å; V319-R332 HydrophobicContact CG1-CG 4.39Å
320Y89.4Confident85.9Confident46 Ų4681.4 Ų81.418%0.1839%0.393CS..G310 helixtrans-54.1-44.6-175.1177.5-95.1000112.4E291 S292 Y295 K322 A323E291-Y320 HydrophobicContact CB-CE2 4.28Å; E291-Y320 WeakPolarHBondContact CB-OH 3.39Å; E291-Y320 VanDerWaalsContact CD-OH 3.31Å; E291-Y320 HydrophobicContact CG-CE2 4Å; E291-Y320 PolarHBondContact OE2-OH 3Å; S292-Y320 VanDerWaalsContact CB-CD1 3.45Å; S292-Y320 VanDerWaalsContact CB-CG 3.44Å; Y295-Y320 AromaticContact CD2-CD2 3.68Å; Y295-Y320 HydrophobicContact CD2-CD2 3.68Å; Y295-Y320 AromaticContact CD2-CE2 3.87Å; Y295-Y320 HydrophobicContact CD2-CE2 3.87Å; Y295-Y320 HydrophobicContact CE2-CD2 4.15Å; Y295-Y320 AromaticContact CE2-CE2 3.97Å; Y295-Y320 HydrophobicContact CE2-CE2 3.97Å; Y295-Y320 HydrophobicContact CG-CD2 4.14Å; Y295-Y320 HydrophobicContact CG-CE2 4.21Å; Y320-K322 PolarHBondContact O-N 3.48Å; Y320-A323 PolarHBondContact O-N 2.99Å; Y320-A323 VanDerWaalsContact O-N 3.07Å
321S88.8Confident87.4Confident79 Ų7973.7 Ų73.755%0.55236%0.362SS*.G310 helixtrans-64-9.9179.373.30000115.1N318 V319N318-S321 PolarHBondContact ND2-OG 3.15Å; V319-S321 VanDerWaalsContact C-N 3.3Å; V319-S321 PolarHBondContact O-N 3.05Å
322K91.4Very high88.8Confident127 Ų12769.5 Ų69.555%0.55234%0.341SS*.G310 helixtrans-112.9-10179.5-58.2-174.3-178.8-169.60112.6V319 Y320V319-K322 PolarHBondContact O-N 3.43Å; Y320-K322 PolarHBondContact O-N 3.48Å
323A93.1Very high90.1Very high23 Ų2366.6 Ų66.619%0.1932%0.321CS..  trans-83.9141.1-177.800000109.9V319 Y320 D328 Y329V319-A323 PolarHBondContact O-N 2.91Å; Y320-A323 PolarHBondContact O-N 2.99Å; Y320-A323 VanDerWaalsContact O-N 3.07Å; A323-D328 WeakPolarHBondContact CA-OD2 3.05Å; A323-Y329 HydrophobicContact CB-CD2 4.23Å; A323-Y329 HydrophobicContact CB-CG 4.46Å
324K94.2Very high91.1Very high194 Ų19457 Ų5784%0.84328%0.277SS*.SBendtrans-92.7-21.5176.2-63.3-178.8-179.2179.90113.5D328K324-D328 PolarHBondContact N-OD2 3.22Å
325S95.6Very high91.7Very high50 Ų5060.2 Ų60.235%0.3529%0.292SS..SBendtrans-153.6170.3-178.665.40000110V327 D328 Y329S325-V327 VanDerWaalsContact C-N 3.32Å; S325-V327 PolarHBondContact O-N 3.5Å; S325-D328 PolarHBondContact O-N 2.97Å; S325-D328 PolarHBondContact OG-N 3.07Å; S325-Y329 WeakPolarHBondContact O-CB 3.47Å; S325-Y329 PolarHBondContact O-N 2.9Å
326F95.6Very high92.1Very high2 Ų254.5 Ų54.51%0.00927%0.271CS..Hα-helixtrans-59.5-42.3173.1-179.7-108.2000112.4Y295 V298 I302 D328 Y329 V330 I349 H353Y295-F326 AromaticContact CD1-CD2 3.72Å; Y295-F326 HydrophobicContact CD1-CD2 3.72Å; Y295-F326 HydrophobicContact CD1-CE2 4.43Å; Y295-F326 HydrophobicContact CD2-CB 4.48Å; Y295-F326 AromaticContact CD2-CD2 3.81Å; Y295-F326 HydrophobicContact CD2-CD2 3.81Å; Y295-F326 HydrophobicContact CE1-CB 4.16Å; Y295-F326 HydrophobicContact CE1-CD2 4.03Å; Y295-F326 VanDerWaalsContact CE2-CA 3.45Å; Y295-F326 HydrophobicContact CE2-CB 3.93Å; Y295-F326 HydrophobicContact CE2-CD2 4.1Å; Y295-F326 AromaticContact CG-CD2 3.61Å; Y295-F326 HydrophobicContact CG-CD2 3.61Å; Y295-F326 HydrophobicContact CG-CE2 4.22Å; Y295-F326 PolarHBondContact OH-N 3.28Å; V298-F326 HydrophobicContact CB-CE2 3.95Å; V298-F326 HydrophobicContact CB-CZ 3.73Å; V298-F326 HydrophobicContact CG1-CE1 4.05Å; V298-F326 HydrophobicContact CG1-CE2 4.12Å; V298-F326 HydrophobicContact CG1-CZ 3.39Å; I302-F326 HydrophobicContact CD1-CE1 4.07Å; I302-F326 HydrophobicContact CD1-CZ 3.92Å; F326-D328 PolarHBondContact O-N 2.81Å; F326-Y329 HydrophobicContact CD2-CD1 4.49Å; F326-Y329 HydrophobicContact CE2-CD1 4.42Å; F326-Y329 WeakPolarHBondContact O-CB 3.04Å; F326-Y329 PolarHBondContact O-N 3.4Å; F326-V330 HydrophobicContact CD1-CG2 4.29Å; F326-V330 HydrophobicContact CD2-CG2 4.36Å; F326-V330 HydrophobicContact CE1-CG2 3.76Å; F326-V330 HydrophobicContact CE2-CG2 3.81Å; F326-V330 HydrophobicContact CZ-CG2 3.48Å; F326-V330 VanDerWaalsContact CZ-CG2 3.48Å; F326-V330 WeakPolarHBondContact O-CG2 3.33Å; F326-V330 PolarHBondContact O-N 2.94Å; F326-I349 HydrophobicContact CD1-CG2 3.77Å; F326-I349 HydrophobicContact CE1-CG2 3.61Å; F326-I349 VanDerWaalsContact CE1-O 3.29Å; F326-I349 WeakPolarHBondContact CE1-O 3.19Å; F326-H353 HydrophobicContact CB-CB 4.4Å; F326-H353 HydrophobicContact CD1-CB 3.51Å; F326-H353 HydrophobicContact CE1-CB 3.9Å; F326-H353 HydrophobicContact CG-CB 3.95Å; F326-H353 AromaticContact CG-CD2 3.68Å
327V96.7Very high92.3Very high19 Ų1954.1 Ų54.112%0.11527%0.268CS..Hα-helixtrans-59.3-50.3176.5-179.90000111.1S325 Y329 V330 R331 D346 I349 Q350S325-V327 VanDerWaalsContact C-N 3.32Å; S325-V327 PolarHBondContact O-N 3.5Å; V327-Y329 VanDerWaalsContact C-N 3.27Å; V327-Y329 PolarHBondContact O-N 3.33Å; V327-V330 PolarHBondContact O-N 3.46Å; V327-R331 HydrophobicContact CG1-CG 4.39Å; V327-R331 VanDerWaalsContact O-CG 3.24Å; V327-R331 WeakPolarHBondContact O-CG 3.47Å; V327-R331 PolarHBondContact O-N 3.35Å; V327-D346 HydrophobicContact CG1-CB 3.9Å; V327-D346 WeakPolarHBondContact CG1-OD1 3.42Å; V327-I349 HydrophobicContact CB-CG2 4.41Å; V327-I349 HydrophobicContact CG1-CD1 4.44Å; V327-I349 HydrophobicContact CG2-CB 4.38Å; V327-I349 HydrophobicContact CG2-CG2 4.1Å; V327-Q350 HydrophobicContact CG2-CB 4.21Å
328D95.9Very high92.6Very high38 Ų3859.4 Ų59.420%0.20328%0.284CS..Hα-helixtrans-61.7-36.4177.2-177.444000111.6A323 K324 S325 F326 R332A323-D328 WeakPolarHBondContact CA-OD2 3.05Å; K324-D328 PolarHBondContact N-OD2 3.22Å; S325-D328 PolarHBondContact O-N 2.97Å; S325-D328 PolarHBondContact OG-N 3.07Å; F326-D328 PolarHBondContact O-N 2.81Å; D328-R332 WeakPolarHBondContact O-CB 3.18Å; D328-R332 WeakPolarHBondContact O-CD 3.46Å; D328-R332 WeakPolarHBondContact O-CG 3.36Å; D328-R332 PolarHBondContact O-N 3.18Å; D328-R332 IonicContact OD1-CZ 2.94Å; D328-R332 IonicContact OD1-NE 3.97Å; D328-R332 PolarHBondContact OD1-NE 3.41Å; D328-R332 IonicContact OD1-NH2 3.89Å; D328-R332 PolarHBondContact OD1-NH2 2.74Å; D328-R332 IonicContact OD2-CZ 2.79Å; D328-R332 IonicContact OD2-NE 2.96Å; D328-R332 PolarHBondContact OD2-NE 3.47Å; D328-R332 IonicContact OD2-NH2 2.86Å; D328-R332 PolarHBondContact OD2-NH2 3.19Å
329Y96.4Very high92.8Very high1 Ų156.5 Ų56.50%0.00427%0.268CS..Hα-helixtrans-60.1-49.2174173.4-93.7000112.1Y295 R296 L299 V319 A323 S325 F326 V327 R332 A333Y295-Y329 AromaticContact CD2-CD1 3.92Å; Y295-Y329 HydrophobicContact CD2-CD1 3.92Å; Y295-Y329 HydrophobicContact CD2-CD2 4.1Å; Y295-Y329 AromaticContact CD2-CG 3.62Å; Y295-Y329 HydrophobicContact CD2-CG 3.62Å; Y295-Y329 HydrophobicContact CG-CD1 4.3Å; Y295-Y329 HydrophobicContact CG-CG 4.41Å; Y295-Y329 WeakPolarHBondContact O-CE1 3.36Å; R296-Y329 WeakPolarHBondContact CG-OH 3.12Å; L299-Y329 HydrophobicContact CB-CE1 4.1Å; L299-Y329 HydrophobicContact CD2-CE1 3.9Å; V319-Y329 HydrophobicContact CB-CD2 4.15Å; V319-Y329 HydrophobicContact CB-CE2 3.92Å; V319-Y329 HydrophobicContact CG1-CD2 3.73Å; V319-Y329 HydrophobicContact CG1-CE2 4Å; A323-Y329 HydrophobicContact CB-CD2 4.23Å; A323-Y329 HydrophobicContact CB-CG 4.46Å; S325-Y329 WeakPolarHBondContact O-CB 3.47Å; S325-Y329 PolarHBondContact O-N 2.9Å; F326-Y329 HydrophobicContact CD2-CD1 4.49Å; F326-Y329 HydrophobicContact CE2-CD1 4.42Å; F326-Y329 WeakPolarHBondContact O-CB 3.04Å; F326-Y329 PolarHBondContact O-N 3.4Å; V327-Y329 VanDerWaalsContact C-N 3.27Å; V327-Y329 PolarHBondContact O-N 3.33Å; Y329-R332 PolarHBondContact O-N 3.37Å; Y329-A333 WeakPolarHBondContact O-CB 3.26Å; Y329-A333 PolarHBondContact O-N 2.92Å
330V95.5Very high92.7Very high0 Ų059.9 Ų59.90%029%0.287CS..Hα-helixtrans-64.1-46.9179.7172.70000110.7L299 I302 F326 V327 R332 A333 L334 I349L299-V330 HydrophobicContact CD1-CG1 4.16Å; L299-V330 HydrophobicContact CD1-CG2 4.28Å; I302-V330 HydrophobicContact CD1-CG1 4.41Å; I302-V330 HydrophobicContact CD1-CG2 4.07Å; F326-V330 HydrophobicContact CD1-CG2 4.29Å; F326-V330 HydrophobicContact CD2-CG2 4.36Å; F326-V330 HydrophobicContact CE1-CG2 3.76Å; F326-V330 HydrophobicContact CE2-CG2 3.81Å; F326-V330 HydrophobicContact CZ-CG2 3.48Å; F326-V330 VanDerWaalsContact CZ-CG2 3.48Å; F326-V330 WeakPolarHBondContact O-CG2 3.33Å; F326-V330 PolarHBondContact O-N 2.94Å; V327-V330 PolarHBondContact O-N 3.46Å; V330-R332 PolarHBondContact O-N 3.27Å; V330-A333 WeakPolarHBondContact O-CB 3.49Å; V330-A333 PolarHBondContact O-N 2.88Å; V330-L334 HydrophobicContact CG1-CD1 3.86Å; V330-L334 HydrophobicContact CG1-CG 4.18Å; V330-L334 WeakPolarHBondContact O-CG 3.24Å; V330-L334 PolarHBondContact O-N 3.5Å; V330-I349 HydrophobicContact CB-CD1 4.44Å; V330-I349 HydrophobicContact CB-CG2 3.86Å; V330-I349 HydrophobicContact CG1-CD1 3.99Å; V330-I349 HydrophobicContact CG1-CG1 4.28Å; V330-I349 HydrophobicContact CG1-CG2 4.13Å; V330-I349 HydrophobicContact CG2-CG2 3.78Å
331R95.4Very high92.7Very high51 Ų5161.1 Ų61.119%0.19230%0.296CS..Hα-helixtrans-54.6-49.7176.8-66.5-73.8-179.1-163.8-10.2111.8V327 A333 L334 H335 D341 L344 D346V327-R331 HydrophobicContact CG1-CG 4.39Å; V327-R331 VanDerWaalsContact O-CG 3.24Å; V327-R331 WeakPolarHBondContact O-CG 3.47Å; V327-R331 PolarHBondContact O-N 3.35Å; R331-A333 VanDerWaalsContact C-N 3.32Å; R331-A333 PolarHBondContact O-N 2.87Å; R331-L334 PolarHBondContact O-N 2.84Å; R331-H335 PolarHBondContact O-N 2.97Å; R331-D341 PolarHBondContact NH1-O 3.26Å; R331-D341 IonicContact NH1-OD2 3.8Å; R331-L344 PolarHBondContact NH1-O 2.96Å; R331-L344 PolarHBondContact NH2-O 3.44Å; R331-D346 IonicContact CZ-OD1 3.05Å; R331-D346 VanDerWaalsContact CZ-OD1 3.28Å; R331-D346 IonicContact NE-OD1 3.63Å; R331-D346 PolarHBondContact NE-OD1 3.29Å; R331-D346 IonicContact NH2-OD1 3.28Å; R331-D346 PolarHBondContact NH2-OD1 2.89Å
332R94.7Very high92.7Very high99 Ų9961.7 Ų61.737%0.37430%0.3SS..Hα-helixtrans-63.4-37.4176.8-71171.8-173.7-73.6-5.5112.7V319 D328 Y329 V330 R336V319-R332 HydrophobicContact CG1-CB 3.47Å; V319-R332 VanDerWaalsContact CG1-CB 3.47Å; V319-R332 HydrophobicContact CG1-CG 4.39Å; D328-R332 WeakPolarHBondContact O-CB 3.18Å; D328-R332 WeakPolarHBondContact O-CD 3.46Å; D328-R332 WeakPolarHBondContact O-CG 3.36Å; D328-R332 PolarHBondContact O-N 3.18Å; D328-R332 IonicContact OD1-CZ 2.94Å; D328-R332 IonicContact OD1-NE 3.97Å; D328-R332 PolarHBondContact OD1-NE 3.41Å; D328-R332 IonicContact OD1-NH2 3.89Å; D328-R332 PolarHBondContact OD1-NH2 2.74Å; D328-R332 IonicContact OD2-CZ 2.79Å; D328-R332 IonicContact OD2-NE 2.96Å; D328-R332 PolarHBondContact OD2-NE 3.47Å; D328-R332 IonicContact OD2-NH2 2.86Å; D328-R332 PolarHBondContact OD2-NH2 3.19Å; Y329-R332 PolarHBondContact O-N 3.37Å; V330-R332 PolarHBondContact O-N 3.27Å; R332-R336 WeakPolarHBondContact O-CG 3.36Å; R332-R336 PolarHBondContact O-N 3.24Å; R332-R336 VanDerWaalsContact O-N 3.15Å
333A93.7Very high92.5Very high0 Ų061.5 Ų61.50%030%0.299CS..Hα-helixtrans-67.7-45.1178.300000111.5L299 V316 Y329 V330 R331 H335 R336 L337L299-A333 HydrophobicContact CD1-CB 4.16Å; L299-A333 HydrophobicContact CD2-CB 3.53Å; V316-A333 HydrophobicContact CG1-CB 3.73Å; V316-A333 HydrophobicContact CG2-CB 4.17Å; Y329-A333 WeakPolarHBondContact O-CB 3.26Å; Y329-A333 PolarHBondContact O-N 2.92Å; V330-A333 WeakPolarHBondContact O-CB 3.49Å; V330-A333 PolarHBondContact O-N 2.88Å; R331-A333 VanDerWaalsContact C-N 3.32Å; R331-A333 PolarHBondContact O-N 2.87Å; A333-H335 PolarHBondContact O-N 3.31Å; A333-R336 PolarHBondContact O-N 2.78Å; A333-R336 VanDerWaalsContact O-N 3.15Å; A333-L337 VanDerWaalsContact O-CG 3.31Å; A333-L337 WeakPolarHBondContact O-CG 3.45Å; A333-L337 PolarHBondContact O-N 3.46Å
334L92.6Very high92.4Very high0 Ų060.6 Ų60.60%029%0.291CS..Hα-helixtrans-60.4-45.3176.2-67.9174000111.4L303 Y307 V330 R331 R336 L337 E338 L339 D341 L344L303-L334 HydrophobicContact CD2-CD2 3.84Å; Y307-L334 HydrophobicContact CD2-CD2 4.41Å; Y307-L334 HydrophobicContact CE1-CD2 4.49Å; Y307-L334 HydrophobicContact CE2-CD2 3.78Å; V330-L334 HydrophobicContact CG1-CD1 3.86Å; V330-L334 HydrophobicContact CG1-CG 4.18Å; V330-L334 WeakPolarHBondContact O-CG 3.24Å; V330-L334 PolarHBondContact O-N 3.5Å; R331-L334 PolarHBondContact O-N 2.84Å; L334-R336 VanDerWaalsContact C-N 3.29Å; L334-R336 PolarHBondContact O-N 3.08Å; L334-L337 CarbonylContact O-C 3.45Å; L334-L337 PolarHBondContact O-N 2.88Å; L334-E338 PolarHBondContact O-N 2.84Å; L334-L339 HydrophobicContact CB-CB 4.47Å; L334-L339 HydrophobicContact CD2-CB 3.96Å; L334-L339 HydrophobicContact CD2-CD1 3.99Å; L334-L339 PolarHBondContact O-N 3.04Å; L334-D341 HydrophobicContact CB-CB 4.28Å; L334-D341 HydrophobicContact CD1-CB 4.06Å; L334-L344 HydrophobicContact CD1-CD1 4.35Å
335H91.6Very high92.4Very high150 Ų15054.3 Ų54.369%0.69427%0.271SS*.Hα-helixtrans-58.3-39.5174.5-178.3-68.2000112.3R331 A333 L337 E338R331-H335 PolarHBondContact O-N 2.97Å; A333-H335 PolarHBondContact O-N 3.31Å; H335-L337 VanDerWaalsContact C-N 3.32Å; H335-E338 PolarHBondContact O-N 2.79Å
336R90.3Very high92.4Very high104 Ų10456.2 Ų56.239%0.39228%0.277SS..Hα-helixtrans-71.3-26.9176.5-78.1-168.9172.5-161.2-8113.9V316 R332 A333 L334 E338V316-R336 WeakPolarHBondContact O-CD 3.46Å; V316-R336 PolarHBondContact O-NH1 3.26Å; R332-R336 WeakPolarHBondContact O-CG 3.36Å; R332-R336 PolarHBondContact O-N 3.24Å; R332-R336 VanDerWaalsContact O-N 3.15Å; A333-R336 PolarHBondContact O-N 2.78Å; A333-R336 VanDerWaalsContact O-N 3.15Å; L334-R336 VanDerWaalsContact C-N 3.29Å; L334-R336 PolarHBondContact O-N 3.08Å; R336-E338 VanDerWaalsContact C-N 3.25Å
337L89.8Confident92.4Very high13 Ų1360.4 Ų60.47%0.06831%0.307CS..Hα-helixtrans-84-7173.7-64173000111.7L303 K314 V316 A333 L334 H335 L339L303-L337 HydrophobicContact CD1-CD1 3.85Å; L303-L337 HydrophobicContact CD2-CD1 4.03Å; K314-L337 HydrophobicContact CB-CD2 3.95Å; K314-L337 VanDerWaalsContact CD-O 3.24Å; K314-L337 WeakPolarHBondContact CD-O 3.44Å; K314-L337 WeakPolarHBondContact O-CD2 3.3Å; V316-L337 HydrophobicContact CG2-CD1 3.93Å; V316-L337 HydrophobicContact CG2-CD2 4.02Å; V316-L337 HydrophobicContact CG2-CG 3.99Å; A333-L337 VanDerWaalsContact O-CG 3.31Å; A333-L337 WeakPolarHBondContact O-CG 3.45Å; A333-L337 PolarHBondContact O-N 3.46Å; L334-L337 CarbonylContact O-C 3.45Å; L334-L337 PolarHBondContact O-N 2.88Å; H335-L337 VanDerWaalsContact C-N 3.32Å; L337-L339 HydrophobicContact CB-CD1 3.82Å; L337-L339 HydrophobicContact CB-CG 3.82Å; L337-L339 HydrophobicContact CD1-CD1 4.04Å; L337-L339 PolarHBondContact O-N 3.43Å
338E89.7Confident92.3Very high142 Ų14263 Ų6366%0.66432%0.32SS*.THydrogen-bonded Turntrans53.243.3-171.4-55165.5-147.800111.1K314 L334 H335 R336K314-E338 HydrophobicContact CD-CG 4.38Å; K314-E338 WeakPolarHBondContact CE-OE1 3.48Å; K314-E338 WeakPolarHBondContact CE-OE2 3.43Å; K314-E338 IonicContact NZ-OE1 2.82Å; K314-E338 PolarHBondContact NZ-OE1 3.34Å; K314-E338 IonicContact NZ-OE2 3.06Å; K314-E338 PolarHBondContact NZ-OE2 2.98Å; L334-E338 PolarHBondContact O-N 2.84Å; H335-E338 PolarHBondContact O-N 2.79Å; R336-E338 VanDerWaalsContact C-N 3.25Å
339L89.1Confident92.3Very high45 Ų4561.2 Ų61.224%0.23631%0.31CS..  trans-98.9146.2173.5-65.6175.1000109.3L303 Y307 L334 L337 D341L303-L339 HydrophobicContact CD2-CD1 3.4Å; L303-L339 VanDerWaalsContact CD2-CD1 3.4Å; Y307-L339 HydrophobicContact CD1-CB 4Å; Y307-L339 HydrophobicContact CD1-CD1 4.11Å; Y307-L339 HydrophobicContact CD1-CD2 4.09Å; Y307-L339 HydrophobicContact CD1-CG 4.29Å; Y307-L339 HydrophobicContact CE1-CB 3.87Å; Y307-L339 HydrophobicContact CG-CD1 4.12Å; L334-L339 HydrophobicContact CB-CB 4.47Å; L334-L339 HydrophobicContact CD2-CB 3.96Å; L334-L339 HydrophobicContact CD2-CD1 3.99Å; L334-L339 PolarHBondContact O-N 3.04Å; L337-L339 HydrophobicContact CB-CD1 3.82Å; L337-L339 HydrophobicContact CB-CG 3.82Å; L337-L339 HydrophobicContact CD1-CD1 4.04Å; L337-L339 PolarHBondContact O-N 3.43Å; L339-D341 PolarHBondContact O-N 3.03Å; L339-D341 VanDerWaalsContact O-N 3.14Å
340D88.4Confident92.3Very high75 Ų7564.1 Ų64.140%0.40132%0.324SS..  trans-65.7108.6179.1177.713.7000110.8Y307 S342 K343Y307-D340 VanDerWaalsContact CE1-O 3.22Å; Y307-D340 WeakPolarHBondContact CE1-O 3.28Å; Y307-D340 VanDerWaalsContact CZ-O 3.32Å; Y307-D340 PolarHBondContact OH-O 3.48Å; D340-S342 VanDerWaalsContact C-N 3.34Å; D340-S342 VanDerWaalsContact CG-OG 3.31Å; D340-S342 WeakPolarHBondContact OD1-CB 3.48Å; D340-S342 PolarHBondContact OD1-N 3.25Å; D340-S342 PolarHBondContact OD1-OG 2.93Å; D340-S342 PolarHBondContact OD2-OG 3.34Å; D340-K343 HydrophobicContact CB-CD 4.41Å; D340-K343 HydrophobicContact CB-CG 4.34Å; D340-K343 WeakPolarHBondContact OD2-CE 3.4Å; D340-K343 WeakPolarHBondContact OD2-CG 3.48Å
341D87.8Confident92.4Very high72 Ų7267 Ų6739%0.38534%0.344SS..G310 helixtrans-80.3-16.1-179.270.2-32.6000112.6R331 L334 L339 K343 L344R331-D341 PolarHBondContact NH1-O 3.26Å; R331-D341 IonicContact NH1-OD2 3.8Å; L334-D341 HydrophobicContact CB-CB 4.28Å; L334-D341 HydrophobicContact CD1-CB 4.06Å; L339-D341 PolarHBondContact O-N 3.03Å; L339-D341 VanDerWaalsContact O-N 3.14Å; D341-K343 PolarHBondContact O-N 3.26Å; D341-L344 PolarHBondContact O-N 3.45Å
342S89.1Confident92.4Very high90 Ų9066.4 Ų66.463%0.62934%0.342SS*.G310 helixtrans-67.1-17.4179.772.80000113.8D340 L344D340-S342 VanDerWaalsContact C-N 3.34Å; D340-S342 VanDerWaalsContact CG-OG 3.31Å; D340-S342 WeakPolarHBondContact OD1-CB 3.48Å; D340-S342 PolarHBondContact OD1-N 3.25Å; D340-S342 PolarHBondContact OD1-OG 2.93Å; D340-S342 PolarHBondContact OD2-OG 3.34Å; S342-L344 PolarHBondContact O-N 2.95Å
343K87.8Confident92.5Very high124 Ų12462.6 Ų62.654%0.53933%0.329SS..G310 helixtrans-67.7-16.3178.7-65.7-172.6176.4-175.40114.9Y307 D340 D341Y307-K343 HydrophobicContact CE1-CD 4.09Å; D340-K343 HydrophobicContact CB-CD 4.41Å; D340-K343 HydrophobicContact CB-CG 4.34Å; D340-K343 WeakPolarHBondContact OD2-CE 3.4Å; D340-K343 WeakPolarHBondContact OD2-CG 3.48Å; D341-K343 PolarHBondContact O-N 3.26Å
344L91.6Very high92.6Very high4 Ų466.6 Ų66.62%0.02135%0.35CS..SBendtrans-123.7130.7-176.2-71.5170.6000108.9I302 H306 Y307 R331 L334 D341 S342 D348 I349I302-L344 HydrophobicContact CG2-CD1 3.44Å; I302-L344 VanDerWaalsContact CG2-CD1 3.44Å; H306-L344 HydrophobicContact CB-CD2 4.48Å; H306-L344 VanDerWaalsContact CE1-CD2 3.49Å; H306-L344 WeakPolarHBondContact CE1-CD2 3.48Å; Y307-L344 HydrophobicContact CE2-CD1 3.85Å; R331-L344 PolarHBondContact NH1-O 2.96Å; R331-L344 PolarHBondContact NH2-O 3.44Å; L334-L344 HydrophobicContact CD1-CD1 4.35Å; D341-L344 PolarHBondContact O-N 3.45Å; S342-L344 PolarHBondContact O-N 2.95Å; L344-D348 HydrophobicContact CD2-CB 4.46Å; L344-I349 HydrophobicContact CB-CD1 4.09Å; L344-I349 HydrophobicContact CB-CG1 3.98Å; L344-I349 HydrophobicContact CD1-CG1 4.31Å
345C94.3Very high92.7Very high61 Ų6170.2 Ų70.241%0.41238%0.38SS..  trans-84160.8167.7840000110.6S347 D348 I349C345-S347 PolarHBondContact O-N 3.03Å; C345-D348 PolarHBondContact N-OD2 2.95Å; C345-D348 PolarHBondContact O-N 3.47Å; C345-D348 PolarHBondContact SG-N 3.18Å; C345-D348 VanDerWaalsContact SG-N 3.36Å; C345-D348 PolarHBondContact SG-OD2 3.29Å; C345-I349 WeakPolarHBondContact O-CG1 3.21Å; C345-I349 PolarHBondContact O-N 3.19Å; C345-I349 VanDerWaalsContact O-N 3.15Å
346D95.8Very high92.9Very high91 Ų9166.1 Ų66.149%0.48736%0.359SS..Hα-helixtrans-63.1-32.5-178.7-72.2-7.4000112.3V327 R331 I349 Q350V327-D346 HydrophobicContact CG1-CB 3.9Å; V327-D346 WeakPolarHBondContact CG1-OD1 3.42Å; R331-D346 IonicContact CZ-OD1 3.05Å; R331-D346 VanDerWaalsContact CZ-OD1 3.28Å; R331-D346 IonicContact NE-OD1 3.63Å; R331-D346 PolarHBondContact NE-OD1 3.29Å; R331-D346 IonicContact NH2-OD1 3.28Å; R331-D346 PolarHBondContact NH2-OD1 2.89Å; D346-I349 PolarHBondContact O-N 3.41Å; D346-Q350 WeakPolarHBondContact O-CB 3.3Å; D346-Q350 PolarHBondContact O-N 3.43Å
347S94.8Very high93Very high90 Ų9066.2 Ų66.263%0.62936%0.364SS*.Hα-helixtrans-65.7-40.4175.5-169.20000112C345 Q350 S351C345-S347 PolarHBondContact O-N 3.03Å; S347-Q350 PolarHBondContact O-N 2.98Å; S347-S351 PolarHBondContact O-N 3.19Å
348D94.3Very high93Very high73 Ų7369.3 Ų69.339%0.3939%0.391SS..Hα-helixtrans-64.2-45.9177.4-61.8-32000110L344 C345 Q350 S351 Y352L344-D348 HydrophobicContact CD2-CB 4.46Å; C345-D348 PolarHBondContact N-OD2 2.95Å; C345-D348 PolarHBondContact O-N 3.47Å; C345-D348 PolarHBondContact SG-N 3.18Å; C345-D348 VanDerWaalsContact SG-N 3.36Å; C345-D348 PolarHBondContact SG-OD2 3.29Å; D348-Q350 VanDerWaalsContact C-N 3.34Å; D348-Q350 PolarHBondContact O-N 3.4Å; D348-S351 WeakPolarHBondContact O-CB 3.39Å; D348-S351 PolarHBondContact O-N 2.85Å; D348-S351 PolarHBondContact O-OG 3.07Å; D348-Y352 VanDerWaalsContact O-CD2 3.32Å; D348-Y352 WeakPolarHBondContact O-CD2 3.46Å; D348-Y352 PolarHBondContact O-N 3.37Å
349I95.5Very high93Very high0 Ų068.7 Ų68.70%038%0.383CS..Hα-helixtrans-59.3-47.1177.9-64.2169.3000110.4I302 F326 V327 V330 L344 C345 D346 S351 Y352 H353I302-I349 HydrophobicContact CD1-CG2 4.43Å; F326-I349 HydrophobicContact CD1-CG2 3.77Å; F326-I349 HydrophobicContact CE1-CG2 3.61Å; F326-I349 VanDerWaalsContact CE1-O 3.29Å; F326-I349 WeakPolarHBondContact CE1-O 3.19Å; V327-I349 HydrophobicContact CB-CG2 4.41Å; V327-I349 HydrophobicContact CG1-CD1 4.44Å; V327-I349 HydrophobicContact CG2-CB 4.38Å; V327-I349 HydrophobicContact CG2-CG2 4.1Å; V330-I349 HydrophobicContact CB-CD1 4.44Å; V330-I349 HydrophobicContact CB-CG2 3.86Å; V330-I349 HydrophobicContact CG1-CD1 3.99Å; V330-I349 HydrophobicContact CG1-CG1 4.28Å; V330-I349 HydrophobicContact CG1-CG2 4.13Å; V330-I349 HydrophobicContact CG2-CG2 3.78Å; L344-I349 HydrophobicContact CB-CD1 4.09Å; L344-I349 HydrophobicContact CB-CG1 3.98Å; L344-I349 HydrophobicContact CD1-CG1 4.31Å; C345-I349 WeakPolarHBondContact O-CG1 3.21Å; C345-I349 PolarHBondContact O-N 3.19Å; C345-I349 VanDerWaalsContact O-N 3.15Å; D346-I349 PolarHBondContact O-N 3.41Å; I349-S351 VanDerWaalsContact C-N 3.3Å; I349-S351 PolarHBondContact O-N 3.39Å; I349-Y352 PolarHBondContact O-N 2.99Å; I349-H353 PolarHBondContact O-N 2.97Å
350Q97.2Very high92.9Very high62 Ų6268.5 Ų68.529%0.2938%0.381SS..Hα-helixtrans-63.9-36.1179.4-169.458.54800111.9V327 D346 S347 D348 Y352 H353 D354V327-Q350 HydrophobicContact CG2-CB 4.21Å; D346-Q350 WeakPolarHBondContact O-CB 3.3Å; D346-Q350 PolarHBondContact O-N 3.43Å; S347-Q350 PolarHBondContact O-N 2.98Å; D348-Q350 VanDerWaalsContact C-N 3.34Å; D348-Q350 PolarHBondContact O-N 3.4Å; Q350-Y352 VanDerWaalsContact C-N 3.26Å; Q350-Y352 PolarHBondContact O-N 3.05Å; Q350-H353 PolarHBondContact NE2-ND1 3.15Å; Q350-H353 WeakPolarHBondContact O-CA 3.26Å; Q350-H353 VanDerWaalsContact O-CB 3.3Å; Q350-H353 WeakPolarHBondContact O-CB 3.48Å; Q350-H353 PolarHBondContact O-N 3.02Å; Q350-D354 PolarHBondContact NE2-OD1 2.86Å; Q350-D354 VanDerWaalsContact O-CG 3.31Å; Q350-D354 PolarHBondContact O-N 3.03Å
351S97Very high92.8Very high60 Ų6070.7 Ų70.742%0.4239%0.393SS..Hα-helixtrans-59.9-34.2177.278.70000113.4S347 D348 I349 D354 A355S347-S351 PolarHBondContact O-N 3.19Å; D348-S351 WeakPolarHBondContact O-CB 3.39Å; D348-S351 PolarHBondContact O-N 2.85Å; D348-S351 PolarHBondContact O-OG 3.07Å; I349-S351 VanDerWaalsContact C-N 3.3Å; I349-S351 PolarHBondContact O-N 3.39Å; S351-D354 PolarHBondContact O-N 3.3Å; S351-A355 WeakPolarHBondContact O-CB 3.49Å; S351-A355 PolarHBondContact O-N 3.44Å
352Y96.3Very high92.6Very high40 Ų4072.3 Ų72.316%0.15740%0.398CS..Hα-helixtrans-68.3-33.7172.9-81.6-84.3000112.4V298 V301 I302 H306 D348 I349 Q350 Y356V298-Y352 WeakPolarHBondContact CG1-O 3.44Å; V301-Y352 HydrophobicContact CG1-CD1 4.04Å; V301-Y352 HydrophobicContact CG1-CE1 3.84Å; I302-Y352 HydrophobicContact CD1-CD2 4.18Å; I302-Y352 HydrophobicContact CD1-CG 4.14Å; I302-Y352 HydrophobicContact CG1-CD1 3.99Å; I302-Y352 HydrophobicContact CG1-CD2 3.75Å; I302-Y352 HydrophobicContact CG1-CE1 4.34Å; I302-Y352 HydrophobicContact CG1-CE2 4.12Å; I302-Y352 HydrophobicContact CG1-CG 3.67Å; H306-Y352 PolarHBondContact CD2-OH 3.15Å; H306-Y352 AromaticContact NE2-CE2 3.56Å; H306-Y352 AromaticContact NE2-CZ 3.62Å; H306-Y352 PolarHBondContact NE2-OH 3.5Å; D348-Y352 VanDerWaalsContact O-CD2 3.32Å; D348-Y352 WeakPolarHBondContact O-CD2 3.46Å; D348-Y352 PolarHBondContact O-N 3.37Å; I349-Y352 PolarHBondContact O-N 2.99Å; Q350-Y352 VanDerWaalsContact C-N 3.26Å; Q350-Y352 PolarHBondContact O-N 3.05Å; Y352-Y356 HydrophobicContact CD1-CE2 4.19Å; Y352-Y356 WeakPolarHBondContact O-CD2 3.29Å; Y352-Y356 PolarHBondContact O-N 2.96Å
353H95.8Very high92.3Very high19 Ų1970 Ų709%0.08838%0.378CS..Hα-helixtrans-64.4-52.3174.4177.8-83.5000110.2F294 Y295 F326 I349 Q350 A355 Y356 E357F294-H353 AromaticContact CE1-CD2 3.6Å; F294-H353 AromaticContact CE1-NE2 3.63Å; Y295-H353 AromaticContact CE1-CD2 3.96Å; Y295-H353 AromaticContact CE1-NE2 3.84Å; F326-H353 HydrophobicContact CB-CB 4.4Å; F326-H353 HydrophobicContact CD1-CB 3.51Å; F326-H353 HydrophobicContact CE1-CB 3.9Å; F326-H353 HydrophobicContact CG-CB 3.95Å; F326-H353 AromaticContact CG-CD2 3.68Å; I349-H353 PolarHBondContact O-N 2.97Å; Q350-H353 PolarHBondContact NE2-ND1 3.15Å; Q350-H353 WeakPolarHBondContact O-CA 3.26Å; Q350-H353 VanDerWaalsContact O-CB 3.3Å; Q350-H353 WeakPolarHBondContact O-CB 3.48Å; Q350-H353 PolarHBondContact O-N 3.02Å; H353-A355 PolarHBondContact O-N 3.42Å; H353-Y356 PolarHBondContact O-N 2.94Å; H353-E357 PolarHBondContact O-N 3.38Å
354D95.6Very high91.9Very high83 Ų8367.9 Ų67.944%0.44437%0.37SS..Hα-helixtrans-66-39.6-173.7-55.4-14.9000111.2Q350 S351 Y356 E357Q350-D354 PolarHBondContact NE2-OD1 2.86Å; Q350-D354 VanDerWaalsContact O-CG 3.31Å; Q350-D354 PolarHBondContact O-N 3.03Å; S351-D354 PolarHBondContact O-N 3.3Å; D354-Y356 PolarHBondContact O-N 2.91Å; D354-E357 WeakPolarHBondContact O-CB 3.48Å; D354-E357 PolarHBondContact O-N 3.08Å
355A96.1Very high91.1Very high76 Ų7669.7 Ų69.763%0.62839%0.385SS*.Hα-helixtrans-62.6-29177.300000113.7S351 H353S351-A355 WeakPolarHBondContact O-CB 3.49Å; S351-A355 PolarHBondContact O-N 3.44Å; H353-A355 PolarHBondContact O-N 3.42Å
356Y94.4Very high90.1Very high64 Ų6472.9 Ų72.925%0.25139%0.392SS..Hα-helixtrans-104.9-2.9-177.9-73.6-91.9000113.2F294 V301 Y352 H353 D354 A358 R359F294-Y356 VanDerWaalsContact CE2-O 3.26Å; F294-Y356 WeakPolarHBondContact CE2-O 3.5Å; V301-Y356 HydrophobicContact CG1-CE2 4.2Å; Y352-Y356 HydrophobicContact CD1-CE2 4.19Å; Y352-Y356 WeakPolarHBondContact O-CD2 3.29Å; Y352-Y356 PolarHBondContact O-N 2.96Å; H353-Y356 PolarHBondContact O-N 2.94Å; D354-Y356 PolarHBondContact O-N 2.91Å; Y356-A358 VanDerWaalsContact C-N 3.31Å; Y356-A358 PolarHBondContact O-N 3.43Å; Y356-R359 WeakPolarHBondContact O-CB 3.35Å; Y356-R359 PolarHBondContact O-N 2.93Å
357E92.8Very high88.9Confident107 Ų10769.2 Ų69.250%0.537%0.373SS..Hα-helixtrans-55.2-44.2-175.7-175174-143.700112.2H353 D354 R359 M360H353-E357 PolarHBondContact O-N 3.38Å; D354-E357 WeakPolarHBondContact O-CB 3.48Å; D354-E357 PolarHBondContact O-N 3.08Å; E357-R359 PolarHBondContact O-N 3.31Å; E357-R359 VanDerWaalsContact O-N 3.09Å; E357-M360 WeakPolarHBondContact O-CB 3.33Å; E357-M360 PolarHBondContact O-N 3.49Å
358A90.5Very high87.5Confident78 Ų7870.9 Ų70.965%0.64537%0.372SS*.THydrogen-bonded Turntrans-60.1-23.3178.100000113.7Y356 M360Y356-A358 VanDerWaalsContact C-N 3.31Å; Y356-A358 PolarHBondContact O-N 3.43Å; A358-M360 PolarHBondContact O-N 3.08Å
359R89.8Confident85.8Confident129 Ų12972.5 Ų72.549%0.48738%0.384SS..Hα-helixtrans-81.2-5.1177.9-58-169.663.1-154.4-4.2112.9Y356 E357 D361 E362 M363Y356-R359 WeakPolarHBondContact O-CB 3.35Å; Y356-R359 PolarHBondContact O-N 2.93Å; E357-R359 PolarHBondContact O-N 3.31Å; E357-R359 VanDerWaalsContact O-N 3.09Å; R359-D361 PolarHBondContact O-N 3.33Å; R359-E362 IonicContact CZ-OE2 2.84Å; R359-E362 IonicContact NE-OE1 3.35Å; R359-E362 IonicContact NE-OE2 3.14Å; R359-E362 PolarHBondContact NE-OE2 3.41Å; R359-E362 IonicContact NH2-OE2 2.84Å; R359-E362 PolarHBondContact NH2-OE2 3.45Å; R359-E362 VanDerWaalsContact NH2-OE2 3.15Å; R359-E362 WeakPolarHBondContact O-CB 3.24Å; R359-E362 PolarHBondContact O-N 3.43Å; R359-M363 PolarHBondContact O-N 2.93Å; R359-M363 VanDerWaalsContact O-N 3.09Å
360M87.1Confident83.8Confident41 Ų4174 Ų7420%0.20240%0.395CS..Hα-helixtrans-58.8-40.1172.1-164177.4-55.500110.4F294 E357 A358 E362 M363 H364F294-M360 HydrophobicContact CD1-CE 3.66Å; F294-M360 HydrophobicContact CE1-CE 3.88Å; F294-M360 HydrophobicContact CG-CE 4.04Å; F294-M360 HydrophobicContact CZ-CE 4.44Å; E357-M360 WeakPolarHBondContact O-CB 3.33Å; E357-M360 PolarHBondContact O-N 3.49Å; A358-M360 PolarHBondContact O-N 3.08Å; M360-E362 PolarHBondContact O-N 3.3Å; M360-M363 WeakPolarHBondContact O-CA 3.36Å; M360-M363 WeakPolarHBondContact O-CB 3.31Å; M360-M363 PolarHBondContact O-N 2.64Å; M360-M363 VanDerWaalsContact O-N 3.07Å; M360-H364 PolarHBondContact O-CD2 3.19Å; M360-H364 PolarHBondContact O-N 3.46Å
361D84.4Confident81.7Confident120 Ų12073 Ų7364%0.64239%0.389SS*.Hα-helixtrans-63.5-40.1176.9-70-24.9000112.5R359 M363 H364 A365R359-D361 PolarHBondContact O-N 3.33Å; D361-M363 VanDerWaalsContact C-N 3.26Å; D361-M363 PolarHBondContact O-N 2.88Å; D361-H364 WeakPolarHBondContact O-CB 3.34Å; D361-H364 PolarHBondContact O-N 3.12Å; D361-A365 WeakPolarHBondContact O-CB 3.43Å; D361-A365 PolarHBondContact O-N 3.45Å
362E85.3Confident79.3Confident106 Ų10681 Ų8150%0.49541%0.409SS..Hα-helixtrans-58.7-41.9171.8-64.2173.8-163.600110.9R359 M360 A365 F366R359-E362 IonicContact CZ-OE2 2.84Å; R359-E362 IonicContact NE-OE1 3.35Å; R359-E362 IonicContact NE-OE2 3.14Å; R359-E362 PolarHBondContact NE-OE2 3.41Å; R359-E362 IonicContact NH2-OE2 2.84Å; R359-E362 PolarHBondContact NH2-OE2 3.45Å; R359-E362 VanDerWaalsContact NH2-OE2 3.15Å; R359-E362 WeakPolarHBondContact O-CB 3.24Å; R359-E362 PolarHBondContact O-N 3.43Å; M360-E362 PolarHBondContact O-N 3.3Å; E362-A365 PolarHBondContact O-N 3.15Å; E362-F366 WeakPolarHBondContact O-CB 3.48Å; E362-F366 PolarHBondContact O-N 3.16Å
363M81.8Confident76.9Confident42 Ų4287 Ų8721%0.20744%0.439CS..Hα-helixtrans-67.4-39.8-180-148.3175.968.200110.9M290 L293 F294 R359 M360 D361 N367M290-M363 HydrophobicContact CB-CE 4.3Å; M290-M363 HydrophobicContact CE-CB 3.68Å; M290-M363 HydrophobicContact CE-CE 3.41Å; M290-M363 VanDerWaalsContact CE-CE 3.41Å; M290-M363 HydrophobicContact CE-CG 3.68Å; M290-M363 VanDerWaalsContact CE-O 3.23Å; M290-M363 WeakPolarHBondContact CE-O 3.34Å; M290-M363 HydrophobicContact CE-SD 4.38Å; M290-M363 WeakPolarHBondContact O-CE 3.46Å; M290-M363 HydrophobicContact SD-CE 4.16Å; L293-M363 HydrophobicContact CB-CE 3.71Å; L293-M363 HydrophobicContact CB-SD 4.26Å; F294-M363 HydrophobicContact CB-CE 3.89Å; R359-M363 PolarHBondContact O-N 2.93Å; R359-M363 VanDerWaalsContact O-N 3.09Å; M360-M363 WeakPolarHBondContact O-CA 3.36Å; M360-M363 WeakPolarHBondContact O-CB 3.31Å; M360-M363 PolarHBondContact O-N 2.64Å; M360-M363 VanDerWaalsContact O-N 3.07Å; D361-M363 VanDerWaalsContact C-N 3.26Å; D361-M363 PolarHBondContact O-N 2.88Å; M363-N367 VanDerWaalsContact O-CB 3.32Å; M363-N367 WeakPolarHBondContact O-CB 3.49Å; M363-N367 PolarHBondContact O-N 2.98Å
364H78.8Confident74.3Confident79 Ų7990.9 Ų90.937%0.36647%0.465SS..Hα-helixtrans-60.5-48.3171.8-79.9-77.8000111.4M290 M360 D361 N367 M368M290-H364 VanDerWaalsContact CG-CE1 3.45Å; M290-H364 WeakPolarHBondContact CG-CE1 3.48Å; M360-H364 PolarHBondContact O-CD2 3.19Å; M360-H364 PolarHBondContact O-N 3.46Å; D361-H364 WeakPolarHBondContact O-CB 3.34Å; D361-H364 PolarHBondContact O-N 3.12Å; H364-N367 WeakPolarHBondContact O-CB 3.19Å; H364-N367 PolarHBondContact O-N 2.97Å; H364-M368 WeakPolarHBondContact O-CG 3.32Å; H364-M368 PolarHBondContact O-N 3.36Å
365A76.2Confident71.8Confident43 Ų4398.5 Ų98.536%0.35549%0.488SS..Hα-helixtrans-62.3-47.4178.200000112.2D361 E362 N367 M368 V369D361-A365 WeakPolarHBondContact O-CB 3.43Å; D361-A365 PolarHBondContact O-N 3.45Å; E362-A365 PolarHBondContact O-N 3.15Å; A365-N367 PolarHBondContact O-N 3.32Å; A365-M368 CarbonylContact O-C 3.34Å; A365-M368 WeakPolarHBondContact O-CA 3.41Å; A365-M368 PolarHBondContact O-N 3.46Å; A365-V369 WeakPolarHBondContact O-CG2 3.49Å; A365-V369 PolarHBondContact O-N 2.7Å
366F73.8Confident69.3Low127 Ų127101.8 Ų101.856%0.55749%0.488SS*.Hα-helixtrans-56.5-42.4176.2177.7-96.3000111.4E362 M368 V369 S370E362-F366 WeakPolarHBondContact O-CB 3.48Å; E362-F366 PolarHBondContact O-N 3.16Å; F366-M368 VanDerWaalsContact C-N 3.34Å; F366-M368 PolarHBondContact O-N 3.37Å; F366-V369 PolarHBondContact O-N 3.05Å; F366-S370 WeakPolarHBondContact O-CB 3.24Å; F366-S370 PolarHBondContact O-N 2.67Å; F366-S370 PolarHBondContact O-OG 3.42Å
367N68.6Low66.9Low15 Ų15107.6 Ų107.68%0.0851%0.51CS..Hα-helixtrans-64.7-40.2177.2-149.3-6.3000111M290 M363 H364 A365 R371M290-N367 HydrophobicContact CE-CB 4.32Å; M290-N367 HydrophobicContact SD-CB 4.35Å; M290-N367 PolarHBondContact SD-ND2 2.93Å; M363-N367 VanDerWaalsContact O-CB 3.32Å; M363-N367 WeakPolarHBondContact O-CB 3.49Å; M363-N367 PolarHBondContact O-N 2.98Å; H364-N367 WeakPolarHBondContact O-CB 3.19Å; H364-N367 PolarHBondContact O-N 2.97Å; A365-N367 PolarHBondContact O-N 3.32Å; N367-R371 PolarHBondContact ND2-NH2 2.63Å; N367-R371 WeakPolarHBondContact O-CD 3.2Å; N367-R371 WeakPolarHBondContact O-CG 3.41Å; N367-R371 PolarHBondContact O-NE 3.2Å; N367-R371 PolarHBondContact OD1-NE 3.27Å; N367-R371 PolarHBondContact OD1-NH2 2.98Å
368M66.6Low64.9Low124 Ų124108.3 Ų108.361%0.61151%0.513SS*.Hα-helixtrans-69.3-39.3176-68.5-165.1-6300113.9H364 A365 F366 R371H364-M368 WeakPolarHBondContact O-CG 3.32Å; H364-M368 PolarHBondContact O-N 3.36Å; A365-M368 CarbonylContact O-C 3.34Å; A365-M368 WeakPolarHBondContact O-CA 3.41Å; A365-M368 PolarHBondContact O-N 3.46Å; F366-M368 VanDerWaalsContact C-N 3.34Å; F366-M368 PolarHBondContact O-N 3.37Å; M368-R371 WeakPolarHBondContact O-CB 3.5Å; M368-R371 PolarHBondContact O-N 3.14Å
369V58.4Low63.2Low107 Ų107114 Ų11465%0.64852%0.518SS*.Hα-helixtrans-71.8-41.8-177.4173.10000111.5A365 F366 R371 R372A365-V369 WeakPolarHBondContact O-CG2 3.49Å; A365-V369 PolarHBondContact O-N 2.7Å; F366-V369 PolarHBondContact O-N 3.05Å; V369-R371 PolarHBondContact O-N 2.72Å; V369-R372 PolarHBondContact O-N 3.02Å
370S53.2Low62.2Low32 Ų32109.3 Ų109.322%0.22450%0.501CS..THydrogen-bonded Turntrans-61-10.5175.1-56.20000113.3F366F366-S370 WeakPolarHBondContact O-CB 3.24Å; F366-S370 PolarHBondContact O-N 2.67Å; F366-S370 PolarHBondContact O-OG 3.42Å
371R53.3Low61.6Low42 Ų42112.1 Ų112.116%0.15852%0.521CS..THydrogen-bonded Turntrans-103.1-0.9-175-70.2170.4-171-173.2-13.1114.7L279 V282 N367 M368 V369L279-R371 HydrophobicContact CD1-CB 3.84Å; L279-R371 HydrophobicContact CD1-CG 4.34Å; V282-R371 VanDerWaalsContact CG2-CZ 3.41Å; N367-R371 PolarHBondContact ND2-NH2 2.63Å; N367-R371 WeakPolarHBondContact O-CD 3.2Å; N367-R371 WeakPolarHBondContact O-CG 3.41Å; N367-R371 PolarHBondContact O-NE 3.2Å; N367-R371 PolarHBondContact OD1-NE 3.27Å; N367-R371 PolarHBondContact OD1-NH2 2.98Å; M368-R371 WeakPolarHBondContact O-CB 3.5Å; M368-R371 PolarHBondContact O-N 3.14Å; V369-R371 PolarHBondContact O-N 2.72Å
372R47.7Very low61.4Low226 Ų226110.1 Ų110.185%0.85351%0.509SS*.SBendtrans-89.40.6175.9-76.2-173.9175.7171.4-0.3114.4V369V369-R372 PolarHBondContact O-N 3.02Å
373H44.4Very low61.4Low168 Ų168112.9 Ų112.978%0.77852%0.52SS*.SBendtrans-90.6143.9176.5-102.12.6000113.3
374P40.9Very low61.5Low99 Ų99114.2 Ų114.264%0.64352%0.524SS*.  trans-75.8133.6-162.3-10.127000113.2
375R43.7Very low61.2Low243 Ų243116.8 Ų116.892%0.91755%0.546SS*.  trans35.686.5147.2-57.2-172.9-171.6-174.73.4117.7
376F43.5Very low60.3Low145 Ų145122.2 Ų122.264%0.63656%0.561SS**  trans-112.483.2156.1-77.8-87.1000110.8A275A275-F376 HydrophobicContact CB-CB 4.41Å
377R44.4Very low59Low186 Ų186126 Ų12670%0.70258%0.577SS**  trans-125.198.1157.7-105.5-172.6172.3170.31.8107E280 R379E280-R377 IonicContact OE2-CZ 3.54Å; E280-R377 IonicContact OE2-NH1 3Å; E280-R377 PolarHBondContact OE2-NH1 3.24Å; E280-R377 IonicContact OE2-NH2 3.15Å; R377-R379 PolarHBondContact O-N 3.43Å
378Q51.5Low57.8Low122 Ų122133.6 Ų133.657%0.5761%0.612SS**  trans-89.793.2169.8-87.9-179.5-400108.7F380Q378-F380 HydrophobicContact CB-CD1 4.46Å
379R53.1Low56.6Low199 Ų199137 Ų13775%0.75162%0.624SS**EExtended strand (participates in β ladder)trans-91.7123.6154.3-177.8178.1-179.6178.70.2106.2V228 R377V228-R379 HydrophobicContact CG2-CG 4.47Å; R377-R379 PolarHBondContact O-N 3.43Å
380F70.3Confident55.7Low30 Ų30141.2 Ų141.213%0.13263%0.634CS.*EExtended strand (participates in β ladder)trans-125.7136.5175.652.7-92000109.9L213 V225 G227 Q378L213-F380 HydrophobicContact CD1-CE1 4.37Å; L213-F380 HydrophobicContact CD1-CE2 4.41Å; L213-F380 HydrophobicContact CD1-CZ 4.11Å; L213-F380 HydrophobicContact CD2-CD2 3.7Å; L213-F380 HydrophobicContact CD2-CE2 3.38Å; L213-F380 HydrophobicContact CD2-CG 4.47Å; L213-F380 HydrophobicContact CD2-CZ 3.92Å; L213-F380 HydrophobicContact CG-CE2 3.88Å; L213-F380 HydrophobicContact CG-CZ 3.9Å; V225-F380 HydrophobicContact CG2-CE2 4.13Å; G227-F380 PolarHBondContact N-O 3.14Å; G227-F380 PolarHBondContact O-N 2.67Å; Q378-F380 HydrophobicContact CB-CD1 4.46Å
381V74.2Confident55.1Low100 Ų100149.6 Ų149.661%0.60667%0.666SS**EExtended strand (participates in β ladder)trans-125.3112.8168.6-178.40000105.6V225 C226V225-V381 WeakPolarHBondContact O-CA 3.06Å; C226-V381 HydrophobicContact CB-CG2 4.47Å
382L80.4Confident54.5Low77 Ų77154.7 Ų154.740%0.40373%0.731SS.*EExtended strand (participates in β ladder)trans-118.2138.5180-59.5169.7000108.7L213 F216 A224 V225L213-L382 HydrophobicContact CD2-CD1 3.72Å; F216-L382 HydrophobicContact CD1-CB 4.42Å; F216-L382 HydrophobicContact CD1-CD1 4.4Å; F216-L382 HydrophobicContact CE1-CB 3.7Å; F216-L382 HydrophobicContact CE1-CD1 4.28Å; F216-L382 HydrophobicContact CZ-CB 4.02Å; A224-L382 CarbonylContact C-O 3.52Å; A224-L382 WeakPolarHBondContact CA-O 3.49Å; A224-L382 WeakPolarHBondContact CB-O 3.36Å; V225-L382 HydrophobicContact CG1-CB 3.79Å; V225-L382 HydrophobicContact CG1-CD1 4.12Å; V225-L382 HydrophobicContact CG1-CG 4.34Å; V225-L382 PolarHBondContact N-O 3.24Å; V225-L382 PolarHBondContact O-N 3.16Å
383K84.4Confident54.8Low164 Ų164151.1 Ų151.171%0.71373%0.725SS**EExtended strand (participates in β ladder)trans-131.2134177.7-174.2175.7-177.8175.80109.5S223 A224S223-K383 WeakPolarHBondContact O-CA 3.22Å; A224-K383 HydrophobicContact CB-CB 4.41Å; A224-K383 HydrophobicContact CB-CG 4.44Å
384K84.3Confident55.4Low71 Ų71150.2 Ų150.231%0.30972%0.723SS.*  trans-75.7125.8172.9-66.4-175-176.9170.30109.4F216 K219 L222 S223F216-K384 HydrophobicContact CE1-CG 4.43Å; F216-K384 HydrophobicContact CE2-CD 4.33Å; F216-K384 HydrophobicContact CE2-CG 3.84Å; F216-K384 HydrophobicContact CZ-CD 4.42Å; F216-K384 HydrophobicContact CZ-CG 3.58Å; F216-K384 WeakPolarHBondContact O-CE 3.46Å; F216-K384 PolarHBondContact O-NZ 2.76Å; K219-K384 PolarHBondContact O-NZ 3.07Å; L222-K384 WeakPolarHBondContact O-CD 3.35Å; L222-K384 WeakPolarHBondContact O-CE 3.35Å; L222-K384 PolarHBondContact O-NZ 3.37Å; S223-K384 PolarHBondContact O-N 3.34Å
385T71.8Confident56.2Low132 Ų132153.1 Ų153.181%0.8173%0.727SS**  trans-88.5108.6168.651.90000109.1K387T385-K387 PolarHBondContact O-N 3.38Å
386K57Low56.9Low157 Ų157147.8 Ų147.868%0.68372%0.716SS**  trans-65.7101.9168.6-76.5175178.51600107.7E196 Q388E196-K386 IonicContact OE1-NZ 3.75Å; E196-K386 PolarHBondContact OE1-NZ 3.21Å; E196-K386 IonicContact OE2-NZ 3.25Å; E196-K386 PolarHBondContact OE2-NZ 3.27Å; E196-K386 VanDerWaalsContact OE2-NZ 3.1Å; K386-Q388 PolarHBondContact O-N 3.18Å
387K46.3Very low57.8Low206 Ų206147.9 Ų147.990%0.89672%0.721SS**  trans-64.9106.2173.5-150.7176.4-171.9179.10106.6T385 K389T385-K387 PolarHBondContact O-N 3.38Å; K387-K389 PolarHBondContact O-N 2.6Å
388Q43.6Very low58.7Low175 Ų175145.4 Ų145.482%0.81872%0.722SS**  trans-60.1110.1171-79.9-173.86.200107.2K386 K390K386-Q388 PolarHBondContact O-N 3.18Å; Q388-K390 PolarHBondContact O-N 3.03Å
389K41.7Very low59.2Low197 Ų197147.1 Ų147.186%0.85773%0.733SS**  trans-62.194.7161.2-108.7-177.5174.3179.30105.7K387 K391K387-K389 PolarHBondContact O-N 2.6Å; K389-K391 VanDerWaalsContact C-N 3.26Å; K389-K391 PolarHBondContact O-N 2.59Å
390K39.8Very low59.6Low195 Ų195143.1 Ų143.185%0.84873%0.731SS**  trans-59.5102154.2-88.7-173.4173.1-177.30104.9Q388 G392Q388-K390 PolarHBondContact O-N 3.03Å; K390-G392 VanDerWaalsContact C-N 3.35Å; K390-G392 PolarHBondContact O-N 3.36Å; K390-G392 VanDerWaalsContact O-N 3.1Å
391K41.8Very low58.7Low207 Ų207152.5 Ų152.590%0.978%0.781SS**  trans-62.4105.5159.7-75.5-175.9174.8-176.90105K389K389-K391 VanDerWaalsContact C-N 3.26Å; K389-K391 PolarHBondContact O-N 2.59Å
392G39.7Very low57.3Low149 Ų149157.3 Ų157.3100%1.53680%0.797SS**  trans-93.40160.700000107.7K390K390-G392 VanDerWaalsContact C-N 3.35Å; K390-G392 PolarHBondContact O-N 3.36Å; K390-G392 VanDerWaalsContact O-N 3.1Å

Retrieved 392 of 392 residues in 1096.3 ms (Link to these results)

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