YHBW_ECOLI Loading...

Luciferase-like monooxygenase

AlphaFold DB , UniProt , Accession P0ADV5, Species ECOLI (Escherichia coli (strain K12)), Gene yhbW, Length 335 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
1M43.1Very low77.4Confident243 Ų24372.4 Ų72.4100%1.19739%0.389SS*.  0118.60-61.8178.9-141.900104.8D3M1-D3 PolarHBondContact O-N 2.93Å
2T42.5Very low79.1Confident126 Ų12666.3 Ų66.377%0.77336%0.357SS*.  trans-59.2132.2173.841.40000107.9K4T2-K4 PolarHBondContact O-N 2.95Å
3D48.8Very low80.5Confident148 Ų14862.2 Ų62.279%0.79133%0.334SS*.  trans-65.654.7-176.5-158.814000112M1 T5M1-D3 PolarHBondContact O-N 2.93Å; D3-T5 PolarHBondContact O-N 3.5Å
4K56.7Low81.8Confident104 Ų10457.7 Ų57.745%0.45231%0.31SS..  trans-76.5105.7174.1-91.8-167.8175.3-172.50106.5T2 I6 D305T2-K4 PolarHBondContact O-N 2.95Å; K4-I6 PolarHBondContact O-N 3.35Å; K4-D305 IonicContact NZ-OD1 3.11Å; K4-D305 PolarHBondContact NZ-OD1 2.92Å
5T80.6Confident82.9Confident108 Ų10854.3 Ų54.366%0.66329%0.292SS*.  trans-64.2105.2164.444.30000108.5D3 L334D3-T5 PolarHBondContact O-N 3.5Å; T5-L334 HydrophobicContact CG2-CD1 4.37Å; T5-L334 HydrophobicContact CG2-CD2 4.14Å
6I90.5Very high83.8Confident35 Ų3551.7 Ų51.718%0.17928%0.278CS..  trans-80.4125.5178.6-66.5147.3000108.9K4 L299 I307 K330K4-I6 PolarHBondContact O-N 3.35Å; I6-L299 HydrophobicContact CD1-CB 4.46Å; I6-L299 HydrophobicContact CD1-CD1 3.53Å; I6-L299 HydrophobicContact CD1-CD2 3.47Å; I6-L299 VanDerWaalsContact CD1-CD2 3.47Å; I6-L299 HydrophobicContact CD1-CG 3.98Å; I6-L299 HydrophobicContact CG1-CD2 4.25Å; I6-L299 HydrophobicContact CG2-CD2 4.05Å; I6-I307 HydrophobicContact CG2-CG1 4.11Å; I6-K330 WeakPolarHBondContact O-CE 3.4Å
7A95.6Very high84.7Confident21 Ų2149.4 Ų49.417%0.17427%0.267CS..EExtended strand (participates in β ladder)trans-71.5139.7175.100000110.6H42 E306 I307A7-H42 HydrophobicContact CB-CB 4.01Å; A7-E306 HydrophobicContact CB-CB 4.46Å; A7-E306 HydrophobicContact CB-CG 3.89Å; A7-I307 PolarHBondContact O-N 2.85Å
8F97.7Very high85.4Confident4 Ų452.4 Ų52.42%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-109.2131170.9-96.136000108.9Y41 H42 I226 L295 I307 V309 M327 K330F8-Y41 HydrophobicContact CB-CD1 4.09Å; F8-Y41 HydrophobicContact CB-CE1 4.16Å; F8-Y41 HydrophobicContact CD2-CE1 4.4Å; F8-Y41 CarbonylContact O-C 3.6Å; F8-Y41 WeakPolarHBondContact O-CA 3.46Å; F8-H42 PolarHBondContact O-N 3.46Å; F8-I226 HydrophobicContact CE2-CD1 4.41Å; F8-L295 HydrophobicContact CE1-CD1 4.14Å; F8-L295 HydrophobicContact CE1-CD2 4.15Å; F8-L295 HydrophobicContact CE2-CD2 4.27Å; F8-L295 HydrophobicContact CZ-CD1 3.69Å; F8-L295 HydrophobicContact CZ-CD2 3.4Å; F8-L295 VanDerWaalsContact CZ-CD2 3.4Å; F8-L295 HydrophobicContact CZ-CG 4.18Å; F8-I307 CarbonylContact C-O 3.5Å; F8-I307 WeakPolarHBondContact CA-O 3.25Å; F8-I307 HydrophobicContact CD1-CB 3.9Å; F8-I307 HydrophobicContact CD1-CG2 4.42Å; F8-I307 HydrophobicContact CE1-CB 3.66Å; F8-I307 HydrophobicContact CE1-CG1 3.98Å; F8-I307 HydrophobicContact CE1-CG2 4Å; F8-I307 HydrophobicContact CZ-CB 4.3Å; F8-I307 HydrophobicContact CZ-CG2 4.13Å; F8-V309 HydrophobicContact CD2-CG1 4.21Å; F8-V309 HydrophobicContact CE2-CG1 4.12Å; F8-M327 HydrophobicContact CB-SD 4.09Å; F8-M327 HydrophobicContact CD2-SD 4.46Å; F8-K330 HydrophobicContact CB-CD 3.65Å; F8-K330 HydrophobicContact CD1-CB 4.38Å; F8-K330 HydrophobicContact CD1-CD 3.6Å; F8-K330 HydrophobicContact CD1-CG 4.24Å; F8-K330 HydrophobicContact CD2-CB 4.07Å; F8-K330 HydrophobicContact CD2-CD 4.12Å; F8-K330 HydrophobicContact CE1-CB 4.38Å; F8-K330 HydrophobicContact CE1-CD 4.33Å; F8-K330 HydrophobicContact CE1-CG 4.5Å; F8-K330 HydrophobicContact CE2-CB 4.07Å; F8-K330 HydrophobicContact CG-CB 4.26Å; F8-K330 HydrophobicContact CG-CD 3.51Å; F8-K330 HydrophobicContact CG-CG 4.34Å; F8-K330 HydrophobicContact CZ-CB 4.26Å
9S98.5Very high86.1Confident0 Ų053.7 Ų53.70%031%0.306CS..EExtended strand (participates in β ladder)trans-130162.6178.7-71.60000110R43 E306 I307 M308 V309S9-R43 CarbonylContact C-O 3.45Å; S9-R43 VanDerWaalsContact CA-O 3.3Å; S9-R43 WeakPolarHBondContact CA-O 3.44Å; S9-R43 WeakPolarHBondContact CB-O 3.47Å; S9-R43 VanDerWaalsContact OG-CB 3.27Å; S9-R43 WeakPolarHBondContact OG-CB 3.5Å; S9-R43 WeakPolarHBondContact OG-CG 3.5Å; S9-R43 PolarHBondContact OG-N 3.45Å; S9-E306 VanDerWaalsContact CB-OE1 3.25Å; S9-E306 WeakPolarHBondContact CB-OE1 3.23Å; S9-E306 PolarHBondContact OG-OE1 3.06Å; S9-I307 PolarHBondContact N-O 2.84Å; S9-M308 CarbonylContact O-C 3.52Å; S9-M308 VanDerWaalsContact O-CA 3.3Å; S9-M308 WeakPolarHBondContact O-CA 3.38Å; S9-V309 WeakPolarHBondContact O-CG2 3.46Å; S9-V309 PolarHBondContact O-N 3.13Å
10L98.5Very high86.6Confident0 Ų052.1 Ų52.10%030%0.298CS..EExtended strand (participates in β ladder)trans-118.8131.5-174.3-163.8149.6000110.7D12 L32 Y41 R43 Y44 W45 V309 F323L10-D12 HydrophobicContact CD2-CB 3.83Å; L10-L32 HydrophobicContact CD1-CD1 3.77Å; L10-L32 HydrophobicContact CD1-CD2 3.94Å; L10-L32 HydrophobicContact CD1-CG 3.84Å; L10-L32 HydrophobicContact CD2-CD2 3.63Å; L10-L32 HydrophobicContact CD2-CG 4.2Å; L10-L32 HydrophobicContact CG-CD2 4.44Å; L10-Y41 HydrophobicContact CB-CD1 4.23Å; L10-Y41 HydrophobicContact CB-CE1 4.5Å; L10-R43 PolarHBondContact N-O 3.01Å; L10-Y44 HydrophobicContact CB-CD2 4.25Å; L10-Y44 HydrophobicContact CD2-CD2 3.96Å; L10-Y44 HydrophobicContact CD2-CE2 3.73Å; L10-Y44 CarbonylContact O-C 3.59Å; L10-Y44 WeakPolarHBondContact O-CA 3.35Å; L10-W45 PolarHBondContact O-N 3.32Å; L10-V309 HydrophobicContact CG-CG2 4.37Å; L10-F323 HydrophobicContact CD1-CB 4.35Å; L10-F323 HydrophobicContact CD1-CD1 3.97Å; L10-F323 HydrophobicContact CD1-CD2 3.93Å; L10-F323 HydrophobicContact CD1-CE1 4.2Å; L10-F323 HydrophobicContact CD1-CE2 4.11Å; L10-F323 HydrophobicContact CD1-CG 3.83Å; L10-F323 HydrophobicContact CD1-CZ 4.24Å; L10-F323 HydrophobicContact CG-CE1 4.44Å; L10-F323 HydrophobicContact CG-CZ 4.45Å
11L98.7Very high87.2Confident7 Ų751.9 Ų51.94%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-100.4116.6166.6176.261.8000109.1L13 W45 A47 H192 M308 V309 N310L11-L13 HydrophobicContact CD1-CD2 4.2Å; L11-L13 HydrophobicContact CD2-CD2 4.38Å; L11-L13 HydrophobicContact CG-CD2 4.17Å; L11-W45 WeakPolarHBondContact CA-O 3.49Å; L11-W45 HydrophobicContact CD1-CB 4.49Å; L11-A47 HydrophobicContact CD1-CB 4.08Å; L11-H192 VanDerWaalsContact CD2-CE1 3.42Å; L11-H192 WeakPolarHBondContact CD2-CE1 3.01Å; L11-H192 WeakPolarHBondContact CD2-NE2 3.27Å; L11-M308 HydrophobicContact CB-CG 3.73Å; L11-M308 HydrophobicContact CB-SD 3.86Å; L11-V309 PolarHBondContact N-O 2.89Å; L11-N310 HydrophobicContact CB-CB 4.26Å; L11-N310 HydrophobicContact CD2-CB 4.37Å; L11-N310 PolarHBondContact O-OD1 3.06Å
12D98.5Very high89.8Confident0 Ų042.2 Ų42.20%026%0.259CS..EExtended strand (participates in β ladder)trans-108.8123.9173.9-177.932.8000110.8L10 A14 P15 S29 L32 Y44 W45 L46 R319L10-D12 HydrophobicContact CD2-CB 3.83Å; D12-A14 VanDerWaalsContact C-N 3.3Å; D12-A14 VanDerWaalsContact CG-N 3.34Å; D12-A14 PolarHBondContact OD1-N 3.34Å; D12-P15 WeakPolarHBondContact OD1-CD 3.49Å; D12-S29 WeakPolarHBondContact OD2-CB 3.36Å; D12-S29 PolarHBondContact OD2-OG 3.23Å; D12-L32 HydrophobicContact CB-CD2 4.49Å; D12-Y44 HydrophobicContact CB-CE1 3.6Å; D12-Y44 HydrophobicContact CB-CE2 4.25Å; D12-Y44 VanDerWaalsContact CB-CZ 3.4Å; D12-Y44 WeakPolarHBondContact CB-OH 3.49Å; D12-Y44 PolarHBondContact OD2-OH 2.66Å; D12-W45 PolarHBondContact N-O 2.93Å; D12-L46 HydrophobicContact CB-CD2 4.1Å; D12-L46 WeakPolarHBondContact O-CA 3.32Å; D12-L46 WeakPolarHBondContact O-CD2 3.34Å; D12-R319 IonicContact OD1-CZ 3.23Å; D12-R319 IonicContact OD1-NH1 2.71Å; D12-R319 PolarHBondContact OD1-NH1 2.97Å; D12-R319 VanDerWaalsContact OD1-NH1 3.07Å; D12-R319 IonicContact OD1-NH2 3.17Å; D12-R319 PolarHBondContact OD1-NH2 2.93Å
13L97.3Very high92.4Very high12 Ų1246.4 Ų46.46%0.06326%0.26CS..  trans-92.97.1174.2-57.3-178.3000111.7L11 P15 A47 I55 S57 Q312L11-L13 HydrophobicContact CD1-CD2 4.2Å; L11-L13 HydrophobicContact CD2-CD2 4.38Å; L11-L13 HydrophobicContact CG-CD2 4.17Å; L13-P15 VanDerWaalsContact C-N 3.34Å; L13-A47 HydrophobicContact CD2-CB 3.63Å; L13-I55 HydrophobicContact CB-CD1 4.32Å; L13-I55 HydrophobicContact CB-CG1 4.37Å; L13-I55 HydrophobicContact CD1-CD1 4.41Å; L13-I55 VanDerWaalsContact O-CG2 3.27Å; L13-I55 WeakPolarHBondContact O-CG2 3.44Å; L13-S57 PolarHBondContact O-OG 2.92Å; L13-Q312 VanDerWaalsContact CD1-NE2 3.3Å
14A98Very high94.8Very high0 Ų043.4 Ų43.40%024%0.242CC..  trans43.557.8-172.100000111.3D12 S29 A56 L63D12-A14 VanDerWaalsContact C-N 3.3Å; D12-A14 VanDerWaalsContact CG-N 3.34Å; D12-A14 PolarHBondContact OD1-N 3.34Å; A14-S29 WeakPolarHBondContact CB-OG 3.36Å; A14-A56 HydrophobicContact CB-CB 3.95Å; A14-A56 WeakPolarHBondContact O-CB 3.35Å; A14-A56 PolarHBondContact O-N 2.97Å; A14-L63 HydrophobicContact CB-CD2 4.17Å
15P98Very high96.8Very high6 Ų638.5 Ų38.54%0.03922%0.221CC..BIsolated β-bridgetrans-61.2144.9-174.127.9-34.9000110.3D12 L13 P17 A25 G54 L257 R319D12-P15 WeakPolarHBondContact OD1-CD 3.49Å; L13-P15 VanDerWaalsContact C-N 3.34Å; P15-P17 WeakPolarHBondContact O-CD 3.45Å; P15-A25 WeakPolarHBondContact O-CB 3.33Å; P15-G54 CarbonylContact C-O 3.54Å; P15-G54 WeakPolarHBondContact CA-O 3.12Å; P15-L257 HydrophobicContact CB-CD2 4.28Å; P15-R319 VanDerWaalsContact CD-NH1 3.35Å
16I98.5Very high97.6Very high13 Ų1336.7 Ų36.77%0.06720%0.204CC..  trans-107.7102.2174-52.2174.4000107.4A22 A25 T53 G54 A56 Q256 L257I16-A22 HydrophobicContact CD1-CB 4.13Å; I16-A25 HydrophobicContact CG1-CB 3.9Å; I16-T53 WeakPolarHBondContact CD1-O 3.43Å; I16-G54 PolarHBondContact N-O 2.92Å; I16-A56 HydrophobicContact CD1-CB 3.89Å; I16-A56 HydrophobicContact CG1-CB 3.95Å; I16-Q256 HydrophobicContact CB-CG 4.45Å; I16-Q256 HydrophobicContact CG2-CG 4.09Å; I16-Q256 VanDerWaalsContact CG2-NE2 3.29Å; I16-Q256 CarbonylContact O-C 3.56Å; I16-Q256 VanDerWaalsContact O-CA 3.3Å; I16-Q256 WeakPolarHBondContact O-CA 3.48Å; I16-Q256 VanDerWaalsContact O-CB 3.24Å; I16-Q256 WeakPolarHBondContact O-CB 3.39Å; I16-L257 PolarHBondContact O-N 2.89Å
17P98.2Very high98Very high13 Ų1337.7 Ų37.78%0.08421%0.214CC..BIsolated β-bridgetrans-59.9152.5173.3-24.235.1000112.6P15 G19 S20 L257 F314P15-P17 WeakPolarHBondContact O-CD 3.45Å; P17-G19 PolarHBondContact O-N 3.47Å; P17-S20 WeakPolarHBondContact O-CB 3.4Å; P17-S20 PolarHBondContact O-N 3.2Å; P17-L257 CarbonylContact C-O 3.58Å; P17-L257 WeakPolarHBondContact CA-O 3.25Å; P17-F314 HydrophobicContact CB-CD2 3.78Å; P17-F314 HydrophobicContact CB-CE2 3.71Å; P17-F314 HydrophobicContact CB-CG 4.47Å; P17-F314 HydrophobicContact CB-CZ 4.34Å
18E98.3Very high98.2Very high103 Ų10338.9 Ų38.948%0.48122%0.216SC..THydrogen-bonded Turntrans-56.1129.8172.2-168.1177131.700110.5S20 Q256 L257 F314E18-S20 VanDerWaalsContact C-N 3.28Å; E18-S20 PolarHBondContact O-N 3.04Å; E18-Q256 HydrophobicContact CB-CB 4.34Å; E18-L257 PolarHBondContact N-O 3.43Å; E18-F314 HydrophobicContact CB-CE2 4.07Å
19G97.4Very high98.2Very high77 Ų7738.7 Ų38.779%0.79422%0.215SC*.THydrogen-bonded Turntrans81.91.8-175.300000114.7P17P17-G19 PolarHBondContact O-N 3.47Å
20S97.3Very high98.2Very high22 Ų2239.2 Ų39.215%0.15422%0.217CC..  trans-105.9-176.5175.8-166.60000112.2P17 E18 E24 Q256P17-S20 WeakPolarHBondContact O-CB 3.4Å; P17-S20 PolarHBondContact O-N 3.2Å; E18-S20 VanDerWaalsContact C-N 3.28Å; E18-S20 PolarHBondContact O-N 3.04Å; S20-E24 VanDerWaalsContact CA-OE2 3.23Å; S20-E24 WeakPolarHBondContact CA-OE2 3.46Å; S20-E24 WeakPolarHBondContact CB-OE2 3.27Å; S20-E24 VanDerWaalsContact OG-CB 3.32Å; S20-E24 WeakPolarHBondContact OG-CB 3.24Å; S20-E24 PolarHBondContact OG-OE2 2.86Å; S20-Q256 PolarHBondContact O-NE2 3.11Å
21S98Very high98.2Very high47 Ų4742 Ų4233%0.32923%0.232SC..  trans-133.9162.3-175.265.40000112.5R23 E24 A25S21-R23 PolarHBondContact O-N 3.12Å; S21-E24 PolarHBondContact N-OE2 3.08Å; S21-E24 PolarHBondContact O-N 3.49Å; S21-E24 VanDerWaalsContact O-N 3.17Å; S21-E24 WeakPolarHBondContact OG-CG 3.3Å; S21-E24 PolarHBondContact OG-N 2.76Å; S21-E24 PolarHBondContact OG-OE2 3.34Å; S21-E24 VanDerWaalsContact OG-OE2 3.06Å; S21-A25 PolarHBondContact O-N 3.15Å
22A97.6Very high98.2Very high41 Ų4141.7 Ų41.734%0.33923%0.231SC..Hα-helixtrans-58.8-33.2173.800000112.5I16 A25 F26 A56I16-A22 HydrophobicContact CD1-CB 4.13Å; A22-A25 PolarHBondContact O-N 2.9Å; A22-F26 HydrophobicContact CB-CE2 4.26Å; A22-F26 HydrophobicContact CB-CZ 4.34Å; A22-F26 WeakPolarHBondContact O-CD2 3.31Å; A22-F26 WeakPolarHBondContact O-CG 3.49Å; A22-F26 PolarHBondContact O-N 2.65Å; A22-A56 HydrophobicContact CB-CB 4.23Å
23R98.2Very high98.3Very high214 Ų21441.7 Ų41.781%0.80823%0.231SC*.Hα-helixtrans-61.7-45.8175.9177.7178.1178.7146.61.4111.7S21 F26 S27S21-R23 PolarHBondContact O-N 3.12Å; R23-F26 PolarHBondContact O-N 3.13Å; R23-S27 PolarHBondContact O-N 3.35Å; R23-S27 VanDerWaalsContact O-N 3.11Å
24E98.3Very high98.3Very high85 Ų8546.7 Ų46.740%0.39725%0.249SC..Hα-helixtrans-67-41.7177.1-71.6167.4136.100110.8S20 S21 F26 S27 H28S20-E24 VanDerWaalsContact CA-OE2 3.23Å; S20-E24 WeakPolarHBondContact CA-OE2 3.46Å; S20-E24 WeakPolarHBondContact CB-OE2 3.27Å; S20-E24 VanDerWaalsContact OG-CB 3.32Å; S20-E24 WeakPolarHBondContact OG-CB 3.24Å; S20-E24 PolarHBondContact OG-OE2 2.86Å; S21-E24 PolarHBondContact N-OE2 3.08Å; S21-E24 PolarHBondContact O-N 3.49Å; S21-E24 VanDerWaalsContact O-N 3.17Å; S21-E24 WeakPolarHBondContact OG-CG 3.3Å; S21-E24 PolarHBondContact OG-N 2.76Å; S21-E24 PolarHBondContact OG-OE2 3.34Å; S21-E24 VanDerWaalsContact OG-OE2 3.06Å; E24-F26 VanDerWaalsContact C-N 3.28Å; E24-F26 PolarHBondContact O-N 2.89Å; E24-S27 CarbonylContact O-C 3.6Å; E24-S27 WeakPolarHBondContact O-CA 3.37Å; E24-S27 WeakPolarHBondContact O-CB 3.19Å; E24-S27 PolarHBondContact O-N 2.98Å; E24-H28 WeakPolarHBondContact O-CB 3.21Å; E24-H28 VanDerWaalsContact O-CG 3.23Å; E24-H28 PolarHBondContact O-N 3.26Å
25A98.5Very high98.4Very high1 Ų147.4 Ų47.41%0.00825%0.253CS..Hα-helixtrans-55.1-42.6173.800000112.2P15 I16 S21 A22 H28 S29 A56P15-A25 WeakPolarHBondContact O-CB 3.33Å; I16-A25 HydrophobicContact CG1-CB 3.9Å; S21-A25 PolarHBondContact O-N 3.15Å; A22-A25 PolarHBondContact O-N 2.9Å; A25-H28 PolarHBondContact O-N 2.98Å; A25-S29 PolarHBondContact O-N 2.84Å; A25-S29 PolarHBondContact O-OG 3.46Å; A25-S29 VanDerWaalsContact O-OG 3.11Å; A25-A56 HydrophobicContact CB-CB 3.91Å
26F98.6Very high98.4Very high70 Ų7047.2 Ų47.231%0.30725%0.251SS..Hα-helixtrans-67.2-36.8175.2-57.4-35000113.3A22 R23 E24 H28 S29 L30 A56 L63A22-F26 HydrophobicContact CB-CE2 4.26Å; A22-F26 HydrophobicContact CB-CZ 4.34Å; A22-F26 WeakPolarHBondContact O-CD2 3.31Å; A22-F26 WeakPolarHBondContact O-CG 3.49Å; A22-F26 PolarHBondContact O-N 2.65Å; R23-F26 PolarHBondContact O-N 3.13Å; E24-F26 VanDerWaalsContact C-N 3.28Å; E24-F26 PolarHBondContact O-N 2.89Å; F26-H28 VanDerWaalsContact C-N 3.34Å; F26-S29 PolarHBondContact O-N 3.39Å; F26-L30 PolarHBondContact O-N 2.86Å; F26-L30 VanDerWaalsContact O-N 3.07Å; F26-A56 HydrophobicContact CD1-CB 4.12Å; F26-A56 HydrophobicContact CE1-CB 3.44Å; F26-A56 VanDerWaalsContact CE1-CB 3.44Å; F26-A56 WeakPolarHBondContact CE1-O 3.45Å; F26-A56 HydrophobicContact CZ-CB 3.95Å; F26-L63 HydrophobicContact CB-CD1 4.34Å; F26-L63 HydrophobicContact CD1-CD1 3.59Å; F26-L63 HydrophobicContact CD1-CD2 3.89Å; F26-L63 HydrophobicContact CD1-CG 4.39Å; F26-L63 HydrophobicContact CE1-CD1 4.14Å; F26-L63 HydrophobicContact CE1-CD2 3.96Å; F26-L63 HydrophobicContact CG-CD1 4.11Å
27S98.5Very high98.4Very high56 Ų5648.5 Ų48.539%0.39226%0.257SS..Hα-helixtrans-62.9-44172.7-165.50000110.8R23 E24 L30 D31R23-S27 PolarHBondContact O-N 3.35Å; R23-S27 VanDerWaalsContact O-N 3.11Å; E24-S27 CarbonylContact O-C 3.6Å; E24-S27 WeakPolarHBondContact O-CA 3.37Å; E24-S27 WeakPolarHBondContact O-CB 3.19Å; E24-S27 PolarHBondContact O-N 2.98Å; S27-L30 WeakPolarHBondContact O-CB 3.31Å; S27-L30 PolarHBondContact O-N 3.17Å; S27-L30 VanDerWaalsContact O-N 3.14Å; S27-D31 PolarHBondContact O-N 3.44Å
28H98.6Very high98.4Very high46 Ų4655.7 Ų55.721%0.21329%0.287CS..Hα-helixtrans-64.6-40177.6-65.7168.3000112.3E24 A25 F26 L30 D31 L32 H316E24-H28 WeakPolarHBondContact O-CB 3.21Å; E24-H28 VanDerWaalsContact O-CG 3.23Å; E24-H28 PolarHBondContact O-N 3.26Å; A25-H28 PolarHBondContact O-N 2.98Å; F26-H28 VanDerWaalsContact C-N 3.34Å; H28-L30 VanDerWaalsContact C-N 3.29Å; H28-L30 PolarHBondContact O-N 3.08Å; H28-D31 PolarHBondContact O-N 3.33Å; H28-L32 WeakPolarHBondContact O-CB 3.27Å; H28-L32 PolarHBondContact O-N 3.04Å; H28-H316 VanDerWaalsContact CA-CE1 3.44Å; H28-H316 WeakPolarHBondContact CA-CE1 3.45Å; H28-H316 VanDerWaalsContact CB-CE1 3.44Å; H28-H316 WeakPolarHBondContact CB-CE1 3.39Å; H28-H316 AromaticContact CD2-CD2 3.2Å; H28-H316 PolarHBondContact CD2-CD2 3.3Å; H28-H316 AromaticContact CD2-CE1 3.92Å; H28-H316 AromaticContact CD2-CG 3.52Å; H28-H316 AromaticContact CD2-ND1 3.96Å; H28-H316 AromaticContact CD2-NE2 3.47Å; H28-H316 PolarHBondContact CD2-NE2 3.11Å; H28-H316 AromaticContact CG-CD2 3.69Å; H28-H316 AromaticContact CG-CE1 3.77Å; H28-H316 AromaticContact CG-CG 3.56Å; H28-H316 AromaticContact CG-ND1 3.62Å; H28-H316 AromaticContact CG-NE2 3.8Å; H28-H316 AromaticContact ND1-CG 3.91Å; H28-H316 AromaticContact NE2-CD2 3.67Å; H28-H316 AromaticContact NE2-CG 3.86Å; H28-H316 PolarHBondContact O-CE1 3Å; H28-H316 VanDerWaalsContact O-CE1 3.32Å
29S98.8Very high98.4Very high0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-60.4-38.2171.8-65.30000111.9D12 A14 A25 F26 L32 A33 Y44D12-S29 WeakPolarHBondContact OD2-CB 3.36Å; D12-S29 PolarHBondContact OD2-OG 3.23Å; A14-S29 WeakPolarHBondContact CB-OG 3.36Å; A25-S29 PolarHBondContact O-N 2.84Å; A25-S29 PolarHBondContact O-OG 3.46Å; A25-S29 VanDerWaalsContact O-OG 3.11Å; F26-S29 PolarHBondContact O-N 3.39Å; S29-L32 PolarHBondContact O-N 3.11Å; S29-A33 WeakPolarHBondContact O-CB 3.18Å; S29-A33 PolarHBondContact O-N 2.65Å; S29-Y44 WeakPolarHBondContact CA-OH 3.13Å; S29-Y44 PolarHBondContact O-OH 3.31Å; S29-Y44 VanDerWaalsContact O-OH 3.11Å
30L98.8Very high98.4Very high10 Ų1052.1 Ų52.15%0.05226%0.26CS..Hα-helixtrans-67.2-44.6176176.158.8000112.2F26 S27 H28 L32 A33 R34 Y66 L67 N70F26-L30 PolarHBondContact O-N 2.86Å; F26-L30 VanDerWaalsContact O-N 3.07Å; S27-L30 WeakPolarHBondContact O-CB 3.31Å; S27-L30 PolarHBondContact O-N 3.17Å; S27-L30 VanDerWaalsContact O-N 3.14Å; H28-L30 VanDerWaalsContact C-N 3.29Å; H28-L30 PolarHBondContact O-N 3.08Å; L30-L32 VanDerWaalsContact C-N 3.26Å; L30-L32 PolarHBondContact O-N 3.07Å; L30-A33 PolarHBondContact O-N 3.2Å; L30-R34 HydrophobicContact CD1-CG 4.19Å; L30-R34 WeakPolarHBondContact O-CG 3.48Å; L30-R34 PolarHBondContact O-N 3.4Å; L30-Y66 HydrophobicContact CB-CE1 3.84Å; L30-Y66 HydrophobicContact CD2-CE1 4.32Å; L30-Y66 HydrophobicContact CD2-CE2 4.46Å; L30-Y66 WeakPolarHBondContact CD2-OH 3.33Å; L30-L67 HydrophobicContact CB-CD2 4.08Å; L30-L67 HydrophobicContact CD1-CD2 4.23Å; L30-N70 HydrophobicContact CD1-CB 3.38Å; L30-N70 HydrophobicContact CD2-CB 4.28Å; L30-N70 HydrophobicContact CG-CB 4.49Å
31D98.8Very high98.4Very high58 Ų5851.5 Ų51.531%0.3126%0.255SS..Hα-helixtrans-58.7-43.4175.4-65.5-24000110.8S27 H28 R34 L35 H316 L320S27-D31 PolarHBondContact O-N 3.44Å; H28-D31 PolarHBondContact O-N 3.33Å; D31-R34 PolarHBondContact O-N 3.44Å; D31-L35 WeakPolarHBondContact O-CB 3.11Å; D31-L35 PolarHBondContact O-N 3.31Å; D31-H316 IonicContact OD2-CD2 3.87Å; D31-H316 IonicContact OD2-NE2 4Å; D31-H316 PolarHBondContact OD2-NE2 2.82Å; D31-L320 HydrophobicContact CB-CD1 4.48Å; D31-L320 HydrophobicContact CB-CD2 4.45Å
32L98.8Very high98.4Very high1 Ų152.4 Ų52.41%0.00525%0.254CS..Hα-helixtrans-67.5-38.8178.6-172.860.4000112.3L10 D12 H28 S29 L30 L35 A36 Y44 L320 F323L10-L32 HydrophobicContact CD1-CD1 3.77Å; L10-L32 HydrophobicContact CD1-CD2 3.94Å; L10-L32 HydrophobicContact CD1-CG 3.84Å; L10-L32 HydrophobicContact CD2-CD2 3.63Å; L10-L32 HydrophobicContact CD2-CG 4.2Å; L10-L32 HydrophobicContact CG-CD2 4.44Å; D12-L32 HydrophobicContact CB-CD2 4.49Å; H28-L32 WeakPolarHBondContact O-CB 3.27Å; H28-L32 PolarHBondContact O-N 3.04Å; S29-L32 PolarHBondContact O-N 3.11Å; L30-L32 VanDerWaalsContact C-N 3.26Å; L30-L32 PolarHBondContact O-N 3.07Å; L32-L35 HydrophobicContact CD1-CD2 4.2Å; L32-L35 PolarHBondContact O-N 3.11Å; L32-A36 VanDerWaalsContact O-CB 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.17Å; L32-A36 PolarHBondContact O-N 2.86Å; L32-Y44 HydrophobicContact CB-CE2 4.16Å; L32-Y44 HydrophobicContact CD2-CE2 4.18Å; L32-Y44 HydrophobicContact CG-CE2 3.87Å; L32-L320 HydrophobicContact CB-CD2 4.11Å; L32-L320 HydrophobicContact CD1-CD2 3.81Å; L32-F323 HydrophobicContact CD1-CB 4.33Å; L32-F323 HydrophobicContact CD1-CD2 3.4Å; L32-F323 VanDerWaalsContact CD1-CD2 3.4Å; L32-F323 HydrophobicContact CD1-CE2 4Å; L32-F323 HydrophobicContact CD1-CG 4.19Å; L32-F323 HydrophobicContact CD2-CD2 4.17Å; L32-F323 HydrophobicContact CD2-CE2 3.89Å; L32-F323 HydrophobicContact CG-CD2 4.41Å
33A98.9Very high98.4Very high0 Ų051.7 Ų51.70%024%0.242CC..Hα-helixtrans-64.8-40.6175.300000111.9S29 L30 A36 E37 Y44 L67 T71 L74S29-A33 WeakPolarHBondContact O-CB 3.18Å; S29-A33 PolarHBondContact O-N 2.65Å; L30-A33 PolarHBondContact O-N 3.2Å; A33-A36 PolarHBondContact O-N 3.48Å; A33-E37 PolarHBondContact O-N 3.3Å; A33-Y44 HydrophobicContact CB-CD2 4.05Å; A33-Y44 HydrophobicContact CB-CE2 3.86Å; A33-Y44 HydrophobicContact CB-CG 4.46Å; A33-L67 HydrophobicContact CB-CD1 4.36Å; A33-L67 HydrophobicContact CB-CD2 4.1Å; A33-T71 HydrophobicContact CB-CG2 4.15Å; A33-L74 HydrophobicContact CB-CD2 4.21Å; A33-L74 WeakPolarHBondContact O-CD2 3.44Å
34R98.7Very high98.4Very high117 Ų11741.6 Ų41.644%0.44220%0.204SC..Hα-helixtrans-65.5-40.3174.6-74.3173.7171.4164.7-1.3112.1L30 D31 K38L30-R34 HydrophobicContact CD1-CG 4.19Å; L30-R34 WeakPolarHBondContact O-CG 3.48Å; L30-R34 PolarHBondContact O-N 3.4Å; D31-R34 PolarHBondContact O-N 3.44Å; R34-K38 VanDerWaalsContact O-CB 3.28Å; R34-K38 WeakPolarHBondContact O-CB 3.39Å; R34-K38 PolarHBondContact O-N 3.37Å
35L98.8Very high98.5Very high16 Ų1637.6 Ų37.68%0.08419%0.185CC..Hα-helixtrans-61.6-47.2172.5176.567.1000110.9D31 L32 E37 K38 R39 L320 F323 E324D31-L35 WeakPolarHBondContact O-CB 3.11Å; D31-L35 PolarHBondContact O-N 3.31Å; L32-L35 HydrophobicContact CD1-CD2 4.2Å; L32-L35 PolarHBondContact O-N 3.11Å; L35-E37 VanDerWaalsContact C-N 3.34Å; L35-E37 PolarHBondContact O-N 2.9Å; L35-K38 PolarHBondContact O-N 2.91Å; L35-R39 HydrophobicContact CD1-CG 3.67Å; L35-R39 HydrophobicContact CG-CG 4.22Å; L35-R39 WeakPolarHBondContact O-CB 3.36Å; L35-R39 WeakPolarHBondContact O-CG 3.38Å; L35-R39 PolarHBondContact O-N 3.29Å; L35-L320 HydrophobicContact CB-CD2 4.28Å; L35-L320 HydrophobicContact CD2-CB 3.96Å; L35-L320 HydrophobicContact CD2-CD2 3.75Å; L35-L320 HydrophobicContact CD2-CG 4.45Å; L35-L320 WeakPolarHBondContact CD2-O 3.49Å; L35-F323 HydrophobicContact CD2-CB 4.47Å; L35-E324 HydrophobicContact CD1-CG 3.6Å; L35-E324 WeakPolarHBondContact CD1-OE1 3.19Å; L35-E324 HydrophobicContact CD2-CG 3.94Å; L35-E324 HydrophobicContact CG-CG 4.27Å
36A98.7Very high98.5Very high1 Ų137.6 Ų37.61%0.00819%0.185CC..Hα-helixtrans-57.9-47.7-179.100000111L32 A33 R39 G40 Y41 Y44 L74L32-A36 VanDerWaalsContact O-CB 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.17Å; L32-A36 PolarHBondContact O-N 2.86Å; A33-A36 PolarHBondContact O-N 3.48Å; A36-R39 PolarHBondContact O-N 3.48Å; A36-G40 PolarHBondContact O-N 3.45Å; A36-Y41 HydrophobicContact CB-CD2 4.04Å; A36-Y41 HydrophobicContact CB-CG 4.16Å; A36-Y41 WeakPolarHBondContact O-CB 3.48Å; A36-Y41 PolarHBondContact O-N 3.45Å; A36-Y44 HydrophobicContact CB-CD2 3.99Å; A36-L74 HydrophobicContact CB-CD1 4.37Å; A36-L74 HydrophobicContact CB-CD2 4.2Å
37E98.6Very high98.3Very high41 Ų4134.5 Ų34.519%0.19217%0.173CC..Hα-helixtrans-59.3-49.6173.8-178.3160.7-92.600112A33 L35 R39 G40 T71 T72 T73 L74A33-E37 PolarHBondContact O-N 3.3Å; L35-E37 VanDerWaalsContact C-N 3.34Å; L35-E37 PolarHBondContact O-N 2.9Å; E37-R39 PolarHBondContact O-N 2.94Å; E37-G40 PolarHBondContact O-N 2.94Å; E37-T71 WeakPolarHBondContact OE1-CB 3.39Å; E37-T71 WeakPolarHBondContact OE2-CA 3.43Å; E37-T72 VanDerWaalsContact CD-N 3.32Å; E37-T72 PolarHBondContact OE1-N 3.06Å; E37-T72 PolarHBondContact OE1-OG1 2.56Å; E37-T72 PolarHBondContact OE2-N 3.41Å; E37-T72 VanDerWaalsContact OE2-N 3.12Å; E37-T72 PolarHBondContact OE2-OG1 2.97Å; E37-T73 PolarHBondContact OE1-N 3.07Å; E37-T73 PolarHBondContact OE1-OG1 2.92Å; E37-L74 HydrophobicContact CB-CB 4.14Å; E37-L74 HydrophobicContact CB-CD2 4.37Å; E37-L74 HydrophobicContact CG-CB 4.42Å; E37-L74 PolarHBondContact OE1-N 2.59Å
38K98.4Very high98.2Very high163 Ų16332 Ų3271%0.70916%0.155SC*.Hα-helixtrans-61-40.8-179.2178.9-171.2171.6-1630112.8R34 L35 G40R34-K38 VanDerWaalsContact O-CB 3.28Å; R34-K38 WeakPolarHBondContact O-CB 3.39Å; R34-K38 PolarHBondContact O-N 3.37Å; L35-K38 PolarHBondContact O-N 2.91Å; K38-G40 VanDerWaalsContact C-N 3.31Å
39R97.8Very high98Very high57 Ų5731.9 Ų31.922%0.21515%0.154CC..Hα-helixtrans-85.3-2.8-179.3-62.2-63.6-66.8129.3-0.3112.8L35 A36 E37 Y41 E324 M327 D328 E331L35-R39 HydrophobicContact CD1-CG 3.67Å; L35-R39 HydrophobicContact CG-CG 4.22Å; L35-R39 WeakPolarHBondContact O-CB 3.36Å; L35-R39 WeakPolarHBondContact O-CG 3.38Å; L35-R39 PolarHBondContact O-N 3.29Å; A36-R39 PolarHBondContact O-N 3.48Å; E37-R39 PolarHBondContact O-N 2.94Å; R39-Y41 HydrophobicContact CB-CD2 4.29Å; R39-Y41 HydrophobicContact CB-CE2 4.38Å; R39-E324 HydrophobicContact CG-CG 4.33Å; R39-M327 HydrophobicContact CB-CB 4.34Å; R39-M327 HydrophobicContact CB-CG 4.08Å; R39-M327 WeakPolarHBondContact O-CE 3Å; R39-D328 IonicContact CZ-OD1 3.99Å; R39-D328 IonicContact NH2-OD1 3.85Å; R39-D328 PolarHBondContact NH2-OD1 2.86Å; R39-E331 IonicContact NH1-OE1 3.38Å; R39-E331 IonicContact NH2-OE1 2.74Å; R39-E331 IonicContact NH2-OE2 3.67Å; R39-E331 PolarHBondContact NH2-OE2 3.07Å; R39-E331 VanDerWaalsContact NH2-OE2 3.11Å
40G96.8Very high97.8Very high49 Ų4933.2 Ų33.251%0.50516%0.161SC..THydrogen-bonded Turntrans78.631.5175.300000114.4A36 E37 K38A36-G40 PolarHBondContact O-N 3.45Å; E37-G40 PolarHBondContact O-N 2.94Å; K38-G40 VanDerWaalsContact C-N 3.31Å
41Y98.2Very high97.6Very high8 Ų838.2 Ų38.23%0.03119%0.187CC..  trans-62138.4161.9-78.2-93.9000109.4F8 L10 A36 R39 L74 V309 F323 M327F8-Y41 HydrophobicContact CB-CD1 4.09Å; F8-Y41 HydrophobicContact CB-CE1 4.16Å; F8-Y41 HydrophobicContact CD2-CE1 4.4Å; F8-Y41 CarbonylContact O-C 3.6Å; F8-Y41 WeakPolarHBondContact O-CA 3.46Å; L10-Y41 HydrophobicContact CB-CD1 4.23Å; L10-Y41 HydrophobicContact CB-CE1 4.5Å; A36-Y41 HydrophobicContact CB-CD2 4.04Å; A36-Y41 HydrophobicContact CB-CG 4.16Å; A36-Y41 WeakPolarHBondContact O-CB 3.48Å; A36-Y41 PolarHBondContact O-N 3.45Å; R39-Y41 HydrophobicContact CB-CD2 4.29Å; R39-Y41 HydrophobicContact CB-CE2 4.38Å; Y41-L74 WeakPolarHBondContact O-CD1 3.43Å; Y41-V309 HydrophobicContact CE1-CG2 3.72Å; Y41-F323 PolarHBondContact OH-O 2.8Å; Y41-M327 HydrophobicContact CD2-CG 3.73Å; Y41-M327 HydrophobicContact CD2-SD 4.49Å; Y41-M327 HydrophobicContact CE1-CG 4.28Å; Y41-M327 HydrophobicContact CE2-CB 4.28Å; Y41-M327 HydrophobicContact CE2-CG 3.27Å; Y41-M327 HydrophobicContact CE2-SD 4.44Å; Y41-M327 HydrophobicContact CG-CG 4.44Å
42H97.6Very high97.3Very high67 Ų6738.3 Ų38.331%0.3119%0.186SC..SBendtrans-72.8-49.1-176.5-174.653.3000111.4A7 F8 H75 E306A7-H42 HydrophobicContact CB-CB 4.01Å; F8-H42 PolarHBondContact O-N 3.46Å; H42-H75 WeakPolarHBondContact O-CB 3.5Å; H42-H75 PolarHBondContact O-N 2.92Å; H42-E306 IonicContact CD2-OE1 3Å; H42-E306 IonicContact CD2-OE2 2.77Å
43R98.3Very high97.1Very high26 Ų2642.5 Ų42.510%0.09821%0.212CC..EExtended strand (participates in β ladder)trans-129.5156.5179.7-43.4175.3-172.1-78.4-6112.7S9 L10 H75 D107 E306S9-R43 CarbonylContact C-O 3.45Å; S9-R43 VanDerWaalsContact CA-O 3.3Å; S9-R43 WeakPolarHBondContact CA-O 3.44Å; S9-R43 WeakPolarHBondContact CB-O 3.47Å; S9-R43 VanDerWaalsContact OG-CB 3.27Å; S9-R43 WeakPolarHBondContact OG-CB 3.5Å; S9-R43 WeakPolarHBondContact OG-CG 3.5Å; S9-R43 PolarHBondContact OG-N 3.45Å; L10-R43 PolarHBondContact N-O 3.01Å; R43-H75 CarbonylContact C-O 3.43Å; R43-H75 VanDerWaalsContact CA-O 3.28Å; R43-H75 WeakPolarHBondContact CA-O 3.33Å; R43-H75 HydrophobicContact CB-CB 4.27Å; R43-H75 HydrophobicContact CG-CB 4.03Å; R43-D107 WeakPolarHBondContact CD-OD2 3.48Å; R43-D107 IonicContact CZ-OD2 2.98Å; R43-D107 IonicContact NE-OD2 3.32Å; R43-D107 IonicContact NH1-OD1 3.7Å; R43-D107 PolarHBondContact NH1-OD1 3.41Å; R43-D107 IonicContact NH1-OD2 3.75Å; R43-D107 PolarHBondContact NH1-OD2 3.05Å; R43-E306 VanDerWaalsContact CD-OE1 3.25Å; R43-E306 WeakPolarHBondContact CD-OE1 3.27Å; R43-E306 IonicContact CZ-OE2 3.83Å; R43-E306 IonicContact NE-OE1 3.72Å; R43-E306 PolarHBondContact NE-OE1 3.34Å; R43-E306 VanDerWaalsContact NE-OE1 3.17Å; R43-E306 IonicContact NE-OE2 3.73Å; R43-E306 PolarHBondContact NE-OE2 3.14Å; R43-E306 IonicContact NH2-OE2 3.11Å
44Y98.8Very high97Very high1 Ų143 Ų430%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-132.8111.8170.2-173.7-71000109.6L10 D12 S29 L32 A33 A36 L46 L67 L74 H75 L76 G77L10-Y44 HydrophobicContact CB-CD2 4.25Å; L10-Y44 HydrophobicContact CD2-CD2 3.96Å; L10-Y44 HydrophobicContact CD2-CE2 3.73Å; L10-Y44 CarbonylContact O-C 3.59Å; L10-Y44 WeakPolarHBondContact O-CA 3.35Å; D12-Y44 HydrophobicContact CB-CE1 3.6Å; D12-Y44 HydrophobicContact CB-CE2 4.25Å; D12-Y44 VanDerWaalsContact CB-CZ 3.4Å; D12-Y44 WeakPolarHBondContact CB-OH 3.49Å; D12-Y44 PolarHBondContact OD2-OH 2.66Å; S29-Y44 WeakPolarHBondContact CA-OH 3.13Å; S29-Y44 PolarHBondContact O-OH 3.31Å; S29-Y44 VanDerWaalsContact O-OH 3.11Å; L32-Y44 HydrophobicContact CB-CE2 4.16Å; L32-Y44 HydrophobicContact CD2-CE2 4.18Å; L32-Y44 HydrophobicContact CG-CE2 3.87Å; A33-Y44 HydrophobicContact CB-CD2 4.05Å; A33-Y44 HydrophobicContact CB-CE2 3.86Å; A33-Y44 HydrophobicContact CB-CG 4.46Å; A36-Y44 HydrophobicContact CB-CD2 3.99Å; Y44-L46 HydrophobicContact CE1-CD2 4.05Å; Y44-L46 HydrophobicContact CE1-CG 4.18Å; Y44-L67 HydrophobicContact CD1-CD1 3.85Å; Y44-L67 HydrophobicContact CE1-CD1 3.41Å; Y44-L67 VanDerWaalsContact CE1-CD1 3.41Å; Y44-L74 HydrophobicContact CD2-CD2 4.34Å; Y44-L74 HydrophobicContact CG-CD2 4.22Å; Y44-H75 PolarHBondContact N-O 3.13Å; Y44-L76 HydrophobicContact CD1-CD2 3.95Å; Y44-L76 HydrophobicContact CG-CD2 4.18Å; Y44-L76 VanDerWaalsContact O-CA 3.32Å; Y44-L76 WeakPolarHBondContact O-CA 3.39Å; Y44-G77 PolarHBondContact O-N 3.07Å; Y44-G77 VanDerWaalsContact O-N 3.13Å
45W98.8Very high96.9Very high1 Ų138.1 Ų38.10%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-115.5139.9-172.9-78.87.3000111.8L10 L11 D12 G77 D107 W168 L170 A188 M221 M308L10-W45 PolarHBondContact O-N 3.32Å; L11-W45 WeakPolarHBondContact CA-O 3.49Å; L11-W45 HydrophobicContact CD1-CB 4.49Å; D12-W45 PolarHBondContact N-O 2.93Å; W45-G77 CarbonylContact C-O 3.6Å; W45-G77 VanDerWaalsContact CA-O 3.29Å; W45-G77 WeakPolarHBondContact CA-O 3.41Å; W45-D107 HydrophobicContact CZ2-CB 4.08Å; W45-D107 PolarHBondContact NE1-OD2 3.44Å; W45-W168 HydrophobicContact CH2-CB 4Å; W45-W168 AromaticContact CH2-CD1 3.94Å; W45-W168 AromaticContact CH2-CD2 3.48Å; W45-W168 HydrophobicContact CH2-CD2 3.48Å; W45-W168 VanDerWaalsContact CH2-CD2 3.48Å; W45-W168 AromaticContact CH2-CE2 3.88Å; W45-W168 AromaticContact CH2-CE3 3.79Å; W45-W168 HydrophobicContact CH2-CE3 3.79Å; W45-W168 AromaticContact CH2-CG 3.56Å; W45-W168 HydrophobicContact CH2-CG 3.56Å; W45-W168 HydrophobicContact CH2-CZ3 4.4Å; W45-W168 AromaticContact CZ2-CD1 3.8Å; W45-W168 AromaticContact CZ2-CD2 3.99Å; W45-W168 HydrophobicContact CZ2-CD2 3.99Å; W45-W168 AromaticContact CZ2-CE2 3.95Å; W45-W168 AromaticContact CZ2-CG 3.92Å; W45-W168 HydrophobicContact CZ2-CG 3.92Å; W45-W168 AromaticContact CZ2-NE1 3.82Å; W45-L170 HydrophobicContact CH2-CD2 4.41Å; W45-L170 HydrophobicContact CZ3-CD2 3.72Å; W45-A188 HydrophobicContact CZ3-CB 4.42Å; W45-M221 HydrophobicContact CH2-CE 3.58Å; W45-M221 HydrophobicContact CH2-SD 4.14Å; W45-M221 HydrophobicContact CZ2-CE 4.17Å; W45-M221 HydrophobicContact CZ3-CE 3.97Å; W45-M221 HydrophobicContact CZ3-SD 3.89Å; W45-M308 HydrophobicContact CB-CE 4.01Å; W45-M308 HydrophobicContact CB-SD 4.26Å; W45-M308 HydrophobicContact CD2-CE 3.51Å; W45-M308 HydrophobicContact CD2-SD 4.2Å; W45-M308 HydrophobicContact CE3-CE 3.37Å; W45-M308 HydrophobicContact CE3-SD 3.57Å; W45-M308 VanDerWaalsContact CE3-SD 3.57Å; W45-M308 HydrophobicContact CG-CE 3.81Å; W45-M308 HydrophobicContact CZ3-CE 3.91Å; W45-M308 HydrophobicContact CZ3-SD 4.16Å
46L98.5Very high96.8Very high1 Ų138 Ų381%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-108138.2175.1-68.9161.3000110D12 Y44 T60 L63 I64 L67 G77 S78 G79D12-L46 HydrophobicContact CB-CD2 4.1Å; D12-L46 WeakPolarHBondContact O-CA 3.32Å; D12-L46 WeakPolarHBondContact O-CD2 3.34Å; Y44-L46 HydrophobicContact CE1-CD2 4.05Å; Y44-L46 HydrophobicContact CE1-CG 4.18Å; L46-T60 HydrophobicContact CB-CG2 3.88Å; L46-T60 WeakPolarHBondContact O-CG2 3.42Å; L46-L63 HydrophobicContact CD1-CB 3.85Å; L46-L63 HydrophobicContact CD1-CD2 3.78Å; L46-L63 HydrophobicContact CD1-CG 3.57Å; L46-L63 HydrophobicContact CD2-CD2 3.7Å; L46-L63 HydrophobicContact CD2-CG 4.35Å; L46-L63 HydrophobicContact CG-CD2 4.36Å; L46-I64 HydrophobicContact CD1-CG1 3.83Å; L46-L67 HydrophobicContact CD1-CD1 3.84Å; L46-L67 HydrophobicContact CG-CD1 4.38Å; L46-G77 PolarHBondContact N-O 3.41Å; L46-S78 CarbonylContact O-C 3.56Å; L46-S78 WeakPolarHBondContact O-CA 3.41Å; L46-G79 PolarHBondContact O-N 3.44Å
47A95.5Very high96.7Very high6 Ų638 Ų385%0.0520%0.201CC..  trans-109.8137178.800000113.2L11 L13 H49 S57L11-A47 HydrophobicContact CD1-CB 4.08Å; L13-A47 HydrophobicContact CD2-CB 3.63Å; A47-H49 PolarHBondContact O-N 2.93Å; A47-H49 PolarHBondContact O-ND1 3.3Å; A47-S57 PolarHBondContact O-OG 3.12Å
48E96.6Very high96.5Very high3 Ų338 Ų381%0.01421%0.208CC..  trans-72.5121.1178.8-175.1-172.9148.400111.5H50 T60 G80 V81 M82 N85 H86E48-H50 WeakPolarHBondContact CG-NE2 3.44Å; E48-H50 IonicContact OE1-CD2 2.69Å; E48-H50 IonicContact OE1-CE1 3.13Å; E48-H50 IonicContact OE1-NE2 3.74Å; E48-H50 PolarHBondContact OE1-NE2 3.15Å; E48-T60 WeakPolarHBondContact CA-OG1 3.46Å; E48-T60 WeakPolarHBondContact CB-OG1 3.34Å; E48-G80 WeakPolarHBondContact CB-O 3.21Å; E48-G80 PolarHBondContact N-O 2.95Å; E48-V81 VanDerWaalsContact OE2-CA 3.32Å; E48-V81 WeakPolarHBondContact OE2-CA 3.48Å; E48-M82 HydrophobicContact CB-CG 4.3Å; E48-M82 HydrophobicContact CG-CG 4.43Å; E48-M82 PolarHBondContact OE2-N 3.11Å; E48-N85 PolarHBondContact OE1-ND2 3.27Å; E48-H86 IonicContact OE1-CD2 2.73Å; E48-H86 IonicContact OE1-CE1 3.12Å; E48-H86 IonicContact OE1-NE2 3.11Å; E48-H86 PolarHBondContact OE1-NE2 3.38Å; E48-H86 IonicContact OE2-CD2 3.61Å; E48-H86 IonicContact OE2-CE1 3.94Å; E48-H86 IonicContact OE2-NE2 2.79Å; E48-H86 PolarHBondContact OE2-NE2 3.19Å
49H94.6Very high96.4Very high44 Ų4433 Ų3320%0.20420%0.198CC..  trans-136.1141.3170.1-63.475.2000109.3A47 M52 I55 A58 G115A47-H49 PolarHBondContact O-N 2.93Å; A47-H49 PolarHBondContact O-ND1 3.3Å; H49-M52 HydrophobicContact CB-CB 4.47Å; H49-M52 HydrophobicContact CB-CG 4.44Å; H49-M52 HydrophobicContact CB-SD 3.75Å; H49-M52 PolarHBondContact CD2-SD 3.07Å; H49-I55 HydrophobicContact CB-CB 4.4Å; H49-I55 HydrophobicContact CB-CD1 4.29Å; H49-I55 HydrophobicContact CB-CG2 3.71Å; H49-A58 WeakPolarHBondContact O-CA 3.46Å; H49-A58 WeakPolarHBondContact O-CB 3.34Å; H49-G115 WeakPolarHBondContact CA-O 3.21Å
50H94.4Very high96.4Very high28 Ų2830.6 Ų30.613%0.1319%0.189CC..SBendtrans-116.1149.8-179.5-63.5-82000111.1E48 M52 G115 S116 T120 L124E48-H50 WeakPolarHBondContact CG-NE2 3.44Å; E48-H50 IonicContact OE1-CD2 2.69Å; E48-H50 IonicContact OE1-CE1 3.13Å; E48-H50 IonicContact OE1-NE2 3.74Å; E48-H50 PolarHBondContact OE1-NE2 3.15Å; H50-M52 PolarHBondContact O-N 3.19Å; H50-G115 PolarHBondContact N-O 3.39Å; H50-S116 PolarHBondContact O-OG 2.88Å; H50-T120 HydrophobicContact CB-CG2 3.53Å; H50-L124 HydrophobicContact CB-CD1 4.32Å
51N93.5Very high96.4Very high115 Ų11529.2 Ų29.262%0.61517%0.171SC*.SBendtrans51.926.2177.3-163.343.2000114.4T120N51-T120 HydrophobicContact CB-CG2 3.72Å; N51-T120 WeakPolarHBondContact CB-OG1 3.27Å; N51-T120 PolarHBondContact ND2-OG1 2.76Å; N51-T120 VanDerWaalsContact ND2-OG1 3.17Å
52M93.5Very high96.5Very high59 Ų5933.9 Ų33.929%0.29120%0.201SC..  trans-106.6100175.2-71.4-176.471.600108.7H49 H50 G54 I55H49-M52 HydrophobicContact CB-CB 4.47Å; H49-M52 HydrophobicContact CB-CG 4.44Å; H49-M52 HydrophobicContact CB-SD 3.75Å; H49-M52 PolarHBondContact CD2-SD 3.07Å; H50-M52 PolarHBondContact O-N 3.19Å; M52-G54 PolarHBondContact O-N 3.26Å; M52-I55 HydrophobicContact CB-CB 4.19Å; M52-I55 HydrophobicContact CE-CD1 3.59Å; M52-I55 HydrophobicContact CE-CG1 4.48Å; M52-I55 PolarHBondContact O-N 3.39Å; M52-I55 VanDerWaalsContact O-O 3.09Å; M52-I55 HydrophobicContact SD-CD1 4.1Å
53T94.4Very high96.5Very high89 Ų8931.2 Ų31.255%0.54619%0.189SC..THydrogen-bonded Turntrans-65.9-9.6-174.359.80000114.3I16 G255I16-T53 WeakPolarHBondContact CD1-O 3.43Å; T53-G255 WeakPolarHBondContact OG1-CA 3.39Å
54G96.7Very high96.5Very high10 Ų1030 Ų3010%0.10318%0.184CC..THydrogen-bonded Turntrans-95.51.2172.900000115.2P15 I16 M52 G255P15-G54 CarbonylContact C-O 3.54Å; P15-G54 WeakPolarHBondContact CA-O 3.12Å; I16-G54 PolarHBondContact N-O 2.92Å; M52-G54 PolarHBondContact O-N 3.26Å; G54-G255 VanDerWaalsContact CA-O 3.28Å; G54-G255 WeakPolarHBondContact CA-O 3.42Å; G54-G255 PolarHBondContact N-O 3.33Å
55I96.8Very high96.5Very high15 Ų1530.7 Ų30.78%0.07719%0.192CC..BIsolated β-bridgetrans-132.1121.4-176.6-72.1178.7000109.2L13 H49 M52 S57L13-I55 HydrophobicContact CB-CD1 4.32Å; L13-I55 HydrophobicContact CB-CG1 4.37Å; L13-I55 HydrophobicContact CD1-CD1 4.41Å; L13-I55 VanDerWaalsContact O-CG2 3.27Å; L13-I55 WeakPolarHBondContact O-CG2 3.44Å; H49-I55 HydrophobicContact CB-CB 4.4Å; H49-I55 HydrophobicContact CB-CD1 4.29Å; H49-I55 HydrophobicContact CB-CG2 3.71Å; M52-I55 HydrophobicContact CB-CB 4.19Å; M52-I55 HydrophobicContact CE-CD1 3.59Å; M52-I55 HydrophobicContact CE-CG1 4.48Å; M52-I55 PolarHBondContact O-N 3.39Å; M52-I55 VanDerWaalsContact O-O 3.09Å; M52-I55 HydrophobicContact SD-CD1 4.1Å; I55-S57 WeakPolarHBondContact CG2-OG 3.27Å
56A97.4Very high96.5Very high15 Ų1535 Ų3512%0.12421%0.209CC..  trans-91.2-10.5-174.900000114.1A14 I16 A22 A25 F26 A58A14-A56 HydrophobicContact CB-CB 3.95Å; A14-A56 WeakPolarHBondContact O-CB 3.35Å; A14-A56 PolarHBondContact O-N 2.97Å; I16-A56 HydrophobicContact CD1-CB 3.89Å; I16-A56 HydrophobicContact CG1-CB 3.95Å; A22-A56 HydrophobicContact CB-CB 4.23Å; A25-A56 HydrophobicContact CB-CB 3.91Å; F26-A56 HydrophobicContact CD1-CB 4.12Å; F26-A56 HydrophobicContact CE1-CB 3.44Å; F26-A56 VanDerWaalsContact CE1-CB 3.44Å; F26-A56 WeakPolarHBondContact CE1-O 3.45Å; F26-A56 HydrophobicContact CZ-CB 3.95Å; A56-A58 VanDerWaalsContact C-N 3.26Å; A56-A58 PolarHBondContact O-N 3.13Å
57S96.2Very high96.5Very high0 Ų035 Ų350%021%0.209CC..THydrogen-bonded Turntrans-82.629-168.256.30000115.5L13 A47 I55 A59 T60L13-S57 PolarHBondContact O-OG 2.92Å; A47-S57 PolarHBondContact O-OG 3.12Å; I55-S57 WeakPolarHBondContact CG2-OG 3.27Å; S57-A59 PolarHBondContact O-N 3.33Å; S57-T60 PolarHBondContact O-OG1 3.33Å; S57-T60 VanDerWaalsContact O-OG1 3.14Å
58A94.4Very high96.7Very high41 Ų4134.8 Ų34.834%0.33921%0.207SC..THydrogen-bonded Turntrans-64.7-38.1-177.700000113.6H49 A56 T60H49-A58 WeakPolarHBondContact O-CA 3.46Å; H49-A58 WeakPolarHBondContact O-CB 3.34Å; A56-A58 VanDerWaalsContact C-N 3.26Å; A56-A58 PolarHBondContact O-N 3.13Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-T60 PolarHBondContact O-N 3.08Å
59A95.7Very high96.8Very high59 Ų5937.5 Ų37.549%0.48823%0.23SC..SBendtrans-93.563.4175.300000110.6S57 S61 V62 L63S57-A59 PolarHBondContact O-N 3.33Å; A59-S61 PolarHBondContact O-N 2.8Å; A59-V62 HydrophobicContact CB-CB 4.21Å; A59-V62 HydrophobicContact CB-CG2 4.22Å; A59-V62 WeakPolarHBondContact O-CB 3.4Å; A59-V62 PolarHBondContact O-N 3.3Å; A59-V62 VanDerWaalsContact O-N 3.08Å; A59-L63 PolarHBondContact O-N 2.85Å; A59-L63 VanDerWaalsContact O-N 3.16Å
60T97.7Very high97Very high6 Ų638.4 Ų38.44%0.03724%0.236CC..Hα-helixtrans-49.9-50-167.8-48.30000113.6L46 E48 S57 A58 V62 L63 I64L46-T60 HydrophobicContact CB-CG2 3.88Å; L46-T60 WeakPolarHBondContact O-CG2 3.42Å; E48-T60 WeakPolarHBondContact CA-OG1 3.46Å; E48-T60 WeakPolarHBondContact CB-OG1 3.34Å; S57-T60 PolarHBondContact O-OG1 3.33Å; S57-T60 VanDerWaalsContact O-OG1 3.14Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-T60 PolarHBondContact O-N 3.08Å; T60-V62 VanDerWaalsContact C-N 3.34Å; T60-V62 PolarHBondContact O-N 2.87Å; T60-L63 PolarHBondContact O-N 2.79Å; T60-I64 HydrophobicContact CG2-CD1 3.97Å; T60-I64 HydrophobicContact CG2-CG1 4.47Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.35Å; T60-I64 PolarHBondContact O-N 2.9Å
61S97.9Very high97.2Very high19 Ų1937.4 Ų37.413%0.13323%0.232CC..Hα-helixtrans-64-35.8-178.251.30000113.5A59 I64 G65 Q94A59-S61 PolarHBondContact O-N 2.8Å; S61-I64 PolarHBondContact O-N 3.47Å; S61-G65 PolarHBondContact O-N 2.87Å; S61-G65 VanDerWaalsContact O-N 3.1Å; S61-Q94 PolarHBondContact OG-OE1 3.2Å
62V98.3Very high97.4Very high106 Ų10636.8 Ų36.864%0.64223%0.233SC*.Hα-helixtrans-65.7-45176179.40000110.4A59 T60 G65 Y66A59-V62 HydrophobicContact CB-CB 4.21Å; A59-V62 HydrophobicContact CB-CG2 4.22Å; A59-V62 WeakPolarHBondContact O-CB 3.4Å; A59-V62 PolarHBondContact O-N 3.3Å; A59-V62 VanDerWaalsContact O-N 3.08Å; T60-V62 VanDerWaalsContact C-N 3.34Å; T60-V62 PolarHBondContact O-N 2.87Å; V62-G65 PolarHBondContact O-N 2.71Å; V62-Y66 PolarHBondContact O-N 2.89Å; V62-Y66 VanDerWaalsContact O-N 3.15Å
63L98.4Very high97.6Very high12 Ų1238.6 Ų38.66%0.06325%0.247CC..Hα-helixtrans-69.5-36.3179.4-173.260000111.9A14 F26 L46 A59 T60 G65 Y66 L67A14-L63 HydrophobicContact CB-CD2 4.17Å; F26-L63 HydrophobicContact CB-CD1 4.34Å; F26-L63 HydrophobicContact CD1-CD1 3.59Å; F26-L63 HydrophobicContact CD1-CD2 3.89Å; F26-L63 HydrophobicContact CD1-CG 4.39Å; F26-L63 HydrophobicContact CE1-CD1 4.14Å; F26-L63 HydrophobicContact CE1-CD2 3.96Å; F26-L63 HydrophobicContact CG-CD1 4.11Å; L46-L63 HydrophobicContact CD1-CB 3.85Å; L46-L63 HydrophobicContact CD1-CD2 3.78Å; L46-L63 HydrophobicContact CD1-CG 3.57Å; L46-L63 HydrophobicContact CD2-CD2 3.7Å; L46-L63 HydrophobicContact CD2-CG 4.35Å; L46-L63 HydrophobicContact CG-CD2 4.36Å; A59-L63 PolarHBondContact O-N 2.85Å; A59-L63 VanDerWaalsContact O-N 3.16Å; T60-L63 PolarHBondContact O-N 2.79Å; L63-G65 VanDerWaalsContact C-N 3.32Å; L63-G65 PolarHBondContact O-N 3.28Å; L63-Y66 HydrophobicContact CD1-CD1 3.88Å; L63-Y66 PolarHBondContact O-N 3.01Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.06Å; L63-L67 VanDerWaalsContact O-N 3.07Å
64I98.8Very high97.7Very high0 Ų034.5 Ų34.50%022%0.222CC..Hα-helixtrans-56-47.4170.7-69.5166.1000110.4L46 T60 S61 Y66 L67 A68 L76 G77 F95 L98 I106L46-I64 HydrophobicContact CD1-CG1 3.83Å; T60-I64 HydrophobicContact CG2-CD1 3.97Å; T60-I64 HydrophobicContact CG2-CG1 4.47Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.35Å; T60-I64 PolarHBondContact O-N 2.9Å; S61-I64 PolarHBondContact O-N 3.47Å; I64-Y66 VanDerWaalsContact C-N 3.34Å; I64-Y66 PolarHBondContact O-N 3.4Å; I64-L67 PolarHBondContact O-N 3.45Å; I64-A68 VanDerWaalsContact O-CB 3.31Å; I64-A68 WeakPolarHBondContact O-CB 3.44Å; I64-A68 PolarHBondContact O-N 3.41Å; I64-L76 HydrophobicContact CG2-CB 4.12Å; I64-G77 VanDerWaalsContact CD1-C 3.43Å; I64-G77 WeakPolarHBondContact CD1-O 3.37Å; I64-F95 HydrophobicContact CD1-CE1 4.02Å; I64-F95 HydrophobicContact CD1-CZ 3.95Å; I64-L98 HydrophobicContact CB-CD1 4.12Å; I64-L98 HydrophobicContact CG2-CD1 3.83Å; I64-L98 HydrophobicContact CG2-CD2 4.22Å; I64-I106 HydrophobicContact CG2-CD1 4.1Å
65G98.7Very high97.8Very high16 Ų1636.5 Ų36.517%0.16523%0.228CC..Hα-helixtrans-59.7-42.5178.600000113S61 V62 L63 L67 A68 A69 L98S61-G65 PolarHBondContact O-N 2.87Å; S61-G65 VanDerWaalsContact O-N 3.1Å; V62-G65 PolarHBondContact O-N 2.71Å; L63-G65 VanDerWaalsContact C-N 3.32Å; L63-G65 PolarHBondContact O-N 3.28Å; G65-L67 PolarHBondContact O-N 2.99Å; G65-A68 PolarHBondContact O-N 2.98Å; G65-A69 WeakPolarHBondContact O-CB 3.39Å; G65-A69 PolarHBondContact O-N 2.83Å; G65-L98 VanDerWaalsContact CA-CD2 3.49Å
66Y98.6Very high97.9Very high92 Ų9235.8 Ų35.836%0.36123%0.225SC..Hα-helixtrans-59.2-45.6174.7168.8-111.7000112.5L30 V62 L63 I64 N70L30-Y66 HydrophobicContact CB-CE1 3.84Å; L30-Y66 HydrophobicContact CD2-CE1 4.32Å; L30-Y66 HydrophobicContact CD2-CE2 4.46Å; L30-Y66 WeakPolarHBondContact CD2-OH 3.33Å; V62-Y66 PolarHBondContact O-N 2.89Å; V62-Y66 VanDerWaalsContact O-N 3.15Å; L63-Y66 HydrophobicContact CD1-CD1 3.88Å; L63-Y66 PolarHBondContact O-N 3.01Å; I64-Y66 VanDerWaalsContact C-N 3.34Å; I64-Y66 PolarHBondContact O-N 3.4Å; Y66-N70 PolarHBondContact O-ND2 3.19Å
67L98.8Very high98Very high0 Ų035.1 Ų35.10%022%0.219CC..Hα-helixtrans-69.3-40.8178.6-62.4-176.9000112L30 A33 Y44 L46 L63 I64 G65 A69 N70 T71 L76L30-L67 HydrophobicContact CB-CD2 4.08Å; L30-L67 HydrophobicContact CD1-CD2 4.23Å; A33-L67 HydrophobicContact CB-CD1 4.36Å; A33-L67 HydrophobicContact CB-CD2 4.1Å; Y44-L67 HydrophobicContact CD1-CD1 3.85Å; Y44-L67 HydrophobicContact CE1-CD1 3.41Å; Y44-L67 VanDerWaalsContact CE1-CD1 3.41Å; L46-L67 HydrophobicContact CD1-CD1 3.84Å; L46-L67 HydrophobicContact CG-CD1 4.38Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.06Å; L63-L67 VanDerWaalsContact O-N 3.07Å; I64-L67 PolarHBondContact O-N 3.45Å; G65-L67 PolarHBondContact O-N 2.99Å; L67-A69 VanDerWaalsContact C-N 3.32Å; L67-A69 PolarHBondContact O-N 3.48Å; L67-N70 CarbonylContact O-C 3.57Å; L67-N70 PolarHBondContact O-N 3.25Å; L67-T71 PolarHBondContact O-N 2.93Å; L67-T71 PolarHBondContact O-OG1 3.24Å; L67-L76 HydrophobicContact CB-CD2 3.77Å; L67-L76 HydrophobicContact CD1-CD2 4.15Å
68A98.7Very high98.1Very high2 Ų235.1 Ų35.12%0.01722%0.219CC..Hα-helixtrans-65-35-18000000112.6I64 G65 N70 L76 Y102I64-A68 VanDerWaalsContact O-CB 3.31Å; I64-A68 WeakPolarHBondContact O-CB 3.44Å; I64-A68 PolarHBondContact O-N 3.41Å; G65-A68 PolarHBondContact O-N 2.98Å; A68-N70 PolarHBondContact O-N 3.07Å; A68-L76 HydrophobicContact CB-CD1 3.65Å; A68-Y102 HydrophobicContact CB-CD1 4Å; A68-Y102 HydrophobicContact CB-CD2 3.45Å; A68-Y102 VanDerWaalsContact CB-CD2 3.45Å; A68-Y102 HydrophobicContact CB-CE1 4.16Å; A68-Y102 HydrophobicContact CB-CE2 3.63Å; A68-Y102 HydrophobicContact CB-CG 3.65Å
69A98.5Very high98.1Very high59 Ų5934 Ų3449%0.48821%0.211SC..THydrogen-bonded Turntrans-65.3-19.2172.800000113.9G65 L67 Y102G65-A69 WeakPolarHBondContact O-CB 3.39Å; G65-A69 PolarHBondContact O-N 2.83Å; L67-A69 VanDerWaalsContact C-N 3.32Å; L67-A69 PolarHBondContact O-N 3.48Å; A69-Y102 HydrophobicContact CB-CE1 4.45Å; A69-Y102 WeakPolarHBondContact CB-OH 3.47Å
70N98.7Very high97.9Very high63 Ų6331.2 Ų31.234%0.33719%0.188SC..THydrogen-bonded Turntrans-118.812.8-172.6-70.9-85.8000114L30 Y66 L67 A68L30-N70 HydrophobicContact CD1-CB 3.38Å; L30-N70 HydrophobicContact CD2-CB 4.28Å; L30-N70 HydrophobicContact CG-CB 4.49Å; Y66-N70 PolarHBondContact O-ND2 3.19Å; L67-N70 CarbonylContact O-C 3.57Å; L67-N70 PolarHBondContact O-N 3.25Å; A68-N70 PolarHBondContact O-N 3.07Å
71T98.7Very high97.9Very high7 Ų731.1 Ų31.14%0.04319%0.188CC..  trans-138.3166.917551.50000108.4A33 E37 L67 L74 L76 R105A33-T71 HydrophobicContact CB-CG2 4.15Å; E37-T71 WeakPolarHBondContact OE1-CB 3.39Å; E37-T71 WeakPolarHBondContact OE2-CA 3.43Å; L67-T71 PolarHBondContact O-N 2.93Å; L67-T71 PolarHBondContact O-OG1 3.24Å; T71-L74 HydrophobicContact CG2-CD2 4.36Å; T71-L76 WeakPolarHBondContact OG1-CD1 3.47Å; T71-R105 VanDerWaalsContact C-NH2 3.31Å; T71-R105 PolarHBondContact O-NH1 3.14Å; T71-R105 PolarHBondContact O-NH2 3.33Å; T71-R105 PolarHBondContact OG1-NH2 2.95Å
72T98.1Very high97.7Very high103 Ų10331.1 Ų31.163%0.63219%0.186SC*.SBendtrans-125.1-37.1-166.754.60000115.4E37 R105E37-T72 VanDerWaalsContact CD-N 3.32Å; E37-T72 PolarHBondContact OE1-N 3.06Å; E37-T72 PolarHBondContact OE1-OG1 2.56Å; E37-T72 PolarHBondContact OE2-N 3.41Å; E37-T72 VanDerWaalsContact OE2-N 3.12Å; E37-T72 PolarHBondContact OE2-OG1 2.97Å; T72-R105 VanDerWaalsContact C-NH1 3.3Å; T72-R105 VanDerWaalsContact CA-NH1 3.34Å; T72-R105 VanDerWaalsContact O-CD 3.31Å; T72-R105 WeakPolarHBondContact O-CD 3.44Å; T72-R105 VanDerWaalsContact O-CZ 3.27Å; T72-R105 PolarHBondContact O-NE 3.13Å; T72-R105 PolarHBondContact O-NH1 3.05Å; T72-R105 VanDerWaalsContact O-NH1 3.11Å
73T97.6Very high97.5Very high97 Ų9726 Ų2660%0.59516%0.155SC*.SBendtrans-123.9-21.6-174.158.40000112.5E37 H75E37-T73 PolarHBondContact OE1-N 3.07Å; E37-T73 PolarHBondContact OE1-OG1 2.92Å; T73-H75 PolarHBondContact O-N 3.26Å
74L97.9Very high97.2Very high3 Ų326.2 Ų26.22%0.01616%0.157CC..  trans-60.7130-177.6-17162.6000111.4A33 A36 E37 Y41 Y44 T71 L76 R105A33-L74 HydrophobicContact CB-CD2 4.21Å; A33-L74 WeakPolarHBondContact O-CD2 3.44Å; A36-L74 HydrophobicContact CB-CD1 4.37Å; A36-L74 HydrophobicContact CB-CD2 4.2Å; E37-L74 HydrophobicContact CB-CB 4.14Å; E37-L74 HydrophobicContact CB-CD2 4.37Å; E37-L74 HydrophobicContact CG-CB 4.42Å; E37-L74 PolarHBondContact OE1-N 2.59Å; Y41-L74 WeakPolarHBondContact O-CD1 3.43Å; Y44-L74 HydrophobicContact CD2-CD2 4.34Å; Y44-L74 HydrophobicContact CG-CD2 4.22Å; T71-L74 HydrophobicContact CG2-CD2 4.36Å; L74-L76 HydrophobicContact CD2-CD2 4.23Å; L74-L76 HydrophobicContact CD2-CG 4.49Å; L74-L76 HydrophobicContact CG-CG 4.38Å; L74-R105 PolarHBondContact O-NE 2.74Å; L74-R105 VanDerWaalsContact O-NE 3.07Å; L74-R105 PolarHBondContact O-NH2 2.96Å
75H98.5Very high96.9Very high52 Ų5227 Ų2724%0.24116%0.161CC..EExtended strand (participates in β ladder)trans-72.9125.3168.1-73.5-104.8000109H42 R43 Y44 T73 G104 R105H42-H75 WeakPolarHBondContact O-CB 3.5Å; H42-H75 PolarHBondContact O-N 2.92Å; R43-H75 CarbonylContact C-O 3.43Å; R43-H75 VanDerWaalsContact CA-O 3.28Å; R43-H75 WeakPolarHBondContact CA-O 3.33Å; R43-H75 HydrophobicContact CB-CB 4.27Å; R43-H75 HydrophobicContact CG-CB 4.03Å; Y44-H75 PolarHBondContact N-O 3.13Å; T73-H75 PolarHBondContact O-N 3.26Å; H75-G104 PolarHBondContact CE1-O 3.04Å; H75-R105 CarbonylContact C-O 3.53Å; H75-R105 VanDerWaalsContact CA-O 3.3Å; H75-R105 WeakPolarHBondContact CA-O 3.28Å
76L98.8Very high96.6Very high0 Ų028.7 Ų28.70%017%0.165CC..EExtended strand (participates in β ladder)trans-120.2141.7-176.3-70.9146.2000109.5Y44 I64 L67 A68 T71 L74 R105 I106 D107Y44-L76 HydrophobicContact CD1-CD2 3.95Å; Y44-L76 HydrophobicContact CG-CD2 4.18Å; Y44-L76 VanDerWaalsContact O-CA 3.32Å; Y44-L76 WeakPolarHBondContact O-CA 3.39Å; I64-L76 HydrophobicContact CG2-CB 4.12Å; L67-L76 HydrophobicContact CB-CD2 3.77Å; L67-L76 HydrophobicContact CD1-CD2 4.15Å; A68-L76 HydrophobicContact CB-CD1 3.65Å; T71-L76 WeakPolarHBondContact OG1-CD1 3.47Å; L74-L76 HydrophobicContact CD2-CD2 4.23Å; L74-L76 HydrophobicContact CD2-CG 4.49Å; L74-L76 HydrophobicContact CG-CG 4.38Å; L76-R105 PolarHBondContact N-O 3.47Å; L76-I106 HydrophobicContact CB-CD1 4.46Å; L76-I106 CarbonylContact O-C 3.28Å; L76-I106 VanDerWaalsContact O-CA 3.27Å; L76-I106 WeakPolarHBondContact O-CA 3.28Å; L76-D107 PolarHBondContact O-N 3.22Å
77G98.4Very high96.3Very high0 Ų027.2 Ų27.20%017%0.168CC..EExtended strand (participates in β ladder)trans-170.7-170.3-175.500000114Y44 W45 L46 I64 D107Y44-G77 PolarHBondContact O-N 3.07Å; Y44-G77 VanDerWaalsContact O-N 3.13Å; W45-G77 CarbonylContact C-O 3.6Å; W45-G77 VanDerWaalsContact CA-O 3.29Å; W45-G77 WeakPolarHBondContact CA-O 3.41Å; L46-G77 PolarHBondContact N-O 3.41Å; I64-G77 VanDerWaalsContact CD1-C 3.43Å; I64-G77 WeakPolarHBondContact CD1-O 3.37Å; G77-D107 WeakPolarHBondContact CA-O 3.35Å
78S98.3Very high96.1Very high0 Ų027.9 Ų27.90%017%0.172CC..EExtended strand (participates in β ladder)trans-97.9127.4174.854.30000111.5L46 G80 D107 G109L46-S78 CarbonylContact O-C 3.56Å; L46-S78 WeakPolarHBondContact O-CA 3.41Å; S78-G80 PolarHBondContact O-N 2.81Å; S78-G80 VanDerWaalsContact O-N 3.12Å; S78-D107 PolarHBondContact N-O 3.48Å; S78-G109 WeakPolarHBondContact O-CA 3.44Å; S78-G109 PolarHBondContact O-N 3.33Å; S78-G109 PolarHBondContact OG-N 2.87Å; S78-G109 PolarHBondContact OG-O 3.02Å
79G94.9Very high96Very high17 Ų1730 Ų3018%0.17518%0.183CC..SBendtrans-7724.8159.500000111.8L46 L170L46-G79 PolarHBondContact O-N 3.44Å; G79-L170 WeakPolarHBondContact O-CD1 3.14Å
80G92.2Very high96Very high1 Ų130.1 Ų30.11%0.0118%0.178CC..  trans132.1101.3178.200000111E48 S78 M82 G109 L170E48-G80 WeakPolarHBondContact CB-O 3.21Å; E48-G80 PolarHBondContact N-O 2.95Å; S78-G80 PolarHBondContact O-N 2.81Å; S78-G80 VanDerWaalsContact O-N 3.12Å; G80-M82 WeakPolarHBondContact O-CE 3.2Å; G80-G109 CarbonylContact C-O 3.58Å; G80-G109 WeakPolarHBondContact CA-O 3.49Å; G80-L170 VanDerWaalsContact CA-CD1 3.5Å
81V96.3Very high96Very high4 Ų427.2 Ų27.22%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-76.9123.2146.4169.70000106.1E48 L83 I91 F95 L108 G109 L110 G111E48-V81 VanDerWaalsContact OE2-CA 3.32Å; E48-V81 WeakPolarHBondContact OE2-CA 3.48Å; V81-L83 PolarHBondContact O-N 3.11Å; V81-I91 HydrophobicContact CG1-CD1 3.67Å; V81-I91 HydrophobicContact CG1-CG1 4.02Å; V81-I91 HydrophobicContact CG1-CG2 4.4Å; V81-F95 HydrophobicContact CG2-CE2 3.76Å; V81-F95 HydrophobicContact CG2-CZ 3.82Å; V81-L108 HydrophobicContact CB-CD1 4.42Å; V81-L108 HydrophobicContact CG2-CD1 4.04Å; V81-G109 PolarHBondContact N-O 2.86Å; V81-L110 HydrophobicContact CB-CD2 4.26Å; V81-G111 PolarHBondContact O-N 2.76Å
82M94.6Very high96Very high19 Ų1926.9 Ų26.99%0.09416%0.16CC..EExtended strand (participates in β ladder)trans-76.776.9178-64.5-54.1108.600108E48 G80 P84 N85 H86 G111 A113E48-M82 HydrophobicContact CB-CG 4.3Å; E48-M82 HydrophobicContact CG-CG 4.43Å; E48-M82 PolarHBondContact OE2-N 3.11Å; G80-M82 WeakPolarHBondContact O-CE 3.2Å; M82-P84 VanDerWaalsContact C-N 3.27Å; M82-P84 WeakPolarHBondContact O-CD 3.34Å; M82-N85 VanDerWaalsContact CB-ND2 3.31Å; M82-N85 WeakPolarHBondContact CB-ND2 3.38Å; M82-N85 VanDerWaalsContact O-CB 3.25Å; M82-N85 WeakPolarHBondContact O-CB 3.28Å; M82-N85 PolarHBondContact O-N 2.88Å; M82-H86 PolarHBondContact O-CD2 2.87Å; M82-G111 CarbonylContact C-O 3.53Å; M82-G111 WeakPolarHBondContact CA-O 3.46Å; M82-A113 WeakPolarHBondContact CB-O 3.42Å; M82-A113 WeakPolarHBondContact CG-O 3.47Å; M82-A113 HydrophobicContact SD-CB 3.91Å
83L94.6Very high96Very high0 Ų025 Ų250%014%0.144CC..G310 helixtrans-47.7-40.2-165.5-175.959.5000114.1V81 N85 H86 P88 I91 L110 G111 F135 D138 V139 L142V81-L83 PolarHBondContact O-N 3.11Å; L83-N85 PolarHBondContact O-N 2.9Å; L83-H86 PolarHBondContact O-N 3.44Å; L83-P88 HydrophobicContact CD1-CG 4.46Å; L83-I91 HydrophobicContact CD1-CG1 4.25Å; L83-L110 HydrophobicContact CB-CD2 4.33Å; L83-L110 HydrophobicContact CD1-CD2 4.38Å; L83-L110 HydrophobicContact CD2-CD1 4.28Å; L83-L110 HydrophobicContact CD2-CD2 4.35Å; L83-G111 PolarHBondContact N-O 3.49Å; L83-F135 HydrophobicContact CB-CD2 4.03Å; L83-F135 HydrophobicContact CB-CE2 3.86Å; L83-F135 HydrophobicContact CD2-CD2 4.07Å; L83-F135 HydrophobicContact CD2-CE2 4.06Å; L83-F135 HydrophobicContact CG-CD2 4.47Å; L83-D138 HydrophobicContact CD2-CB 3.62Å; L83-D138 HydrophobicContact CG-CB 4.14Å; L83-V139 HydrophobicContact CD2-CG2 3.91Å; L83-L142 HydrophobicContact CD1-CD1 3.9Å; L83-L142 HydrophobicContact CD2-CD1 3.95Å
84P92.2Very high96Very high15 Ų1523.6 Ų23.610%0.09713%0.131CC..G310 helixtrans-63.8-11.6177.6-25.738000115.7M82 H86 G111 R126 F135M82-P84 VanDerWaalsContact C-N 3.27Å; M82-P84 WeakPolarHBondContact O-CD 3.34Å; P84-H86 VanDerWaalsContact C-N 3.3Å; P84-G111 WeakPolarHBondContact CD-O 3.47Å; P84-R126 VanDerWaalsContact CB-NH2 3.32Å; P84-R126 WeakPolarHBondContact O-CG 3.14Å; P84-F135 HydrophobicContact CG-CD2 4.07Å
85N91Very high96.1Very high17 Ų1723.5 Ų23.59%0.09113%0.13CC..G310 helixtrans-82.6-8.2173.2-61.6-15000112.4E48 M82 L83 P114 L124 R126E48-N85 PolarHBondContact OE1-ND2 3.27Å; M82-N85 VanDerWaalsContact CB-ND2 3.31Å; M82-N85 WeakPolarHBondContact CB-ND2 3.38Å; M82-N85 VanDerWaalsContact O-CB 3.25Å; M82-N85 WeakPolarHBondContact O-CB 3.28Å; M82-N85 PolarHBondContact O-N 2.88Å; L83-N85 PolarHBondContact O-N 2.9Å; N85-P114 PolarHBondContact ND2-O 3.08Å; N85-L124 HydrophobicContact CB-CD1 4.27Å; N85-R126 VanDerWaalsContact OD1-CD 3.31Å; N85-R126 WeakPolarHBondContact OD1-CD 3.17Å; N85-R126 PolarHBondContact OD1-NH1 2.95Å
86H92.4Very high96.1Very high52 Ų5221 Ų2124%0.24112%0.118CC..SBendtrans-129.7162.7-168.7-56.8-77.9000112.4E48 M82 L83 P84 I91E48-H86 IonicContact OE1-CD2 2.73Å; E48-H86 IonicContact OE1-CE1 3.12Å; E48-H86 IonicContact OE1-NE2 3.11Å; E48-H86 PolarHBondContact OE1-NE2 3.38Å; E48-H86 IonicContact OE2-CD2 3.61Å; E48-H86 IonicContact OE2-CE1 3.94Å; E48-H86 IonicContact OE2-NE2 2.79Å; E48-H86 PolarHBondContact OE2-NE2 3.19Å; M82-H86 PolarHBondContact O-CD2 2.87Å; L83-H86 PolarHBondContact O-N 3.44Å; P84-H86 VanDerWaalsContact C-N 3.3Å; H86-I91 HydrophobicContact CB-CD1 3.83Å; H86-I91 HydrophobicContact CB-CG1 3.67Å
87S93.1Very high96.1Very high61 Ų6123.8 Ų23.843%0.42714%0.136SC..  trans-78.3128.31621750000109.4L89 V90 I91S87-L89 PolarHBondContact O-N 3.27Å; S87-V90 PolarHBondContact O-N 2.77Å; S87-V90 VanDerWaalsContact O-N 3.13Å; S87-I91 PolarHBondContact O-N 3.3Å
88P95Very high96.1Very high13 Ų1324.4 Ų24.48%0.08414%0.139CC..Hα-helixtrans-55.7-38.1177.4-2836.5000113.1L83 V90 I91 A92 D138 L142 W145L83-P88 HydrophobicContact CD1-CG 4.46Å; P88-V90 VanDerWaalsContact C-N 3.34Å; P88-V90 PolarHBondContact O-N 3.43Å; P88-I91 PolarHBondContact O-N 3.29Å; P88-A92 PolarHBondContact O-N 3.03Å; P88-D138 HydrophobicContact CB-CB 4.5Å; P88-D138 HydrophobicContact CG-CB 3.68Å; P88-L142 HydrophobicContact CB-CD2 4.3Å; P88-L142 HydrophobicContact CB-CG 4.27Å; P88-L142 VanDerWaalsContact O-CD2 3.22Å; P88-L142 WeakPolarHBondContact O-CD2 3.16Å; P88-W145 HydrophobicContact CB-CZ3 4.05Å
89L97.3Very high96.1Very high47 Ų4725 Ų2525%0.24614%0.142CC..Hα-helixtrans-58.2-46.1177.6179.162.7000111.8S87 I91 A92 E93 W145 V155 P157S87-L89 PolarHBondContact O-N 3.27Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 PolarHBondContact O-N 2.81Å; L89-A92 WeakPolarHBondContact O-CB 3.39Å; L89-A92 PolarHBondContact O-N 3.36Å; L89-E93 WeakPolarHBondContact O-CG 3.14Å; L89-E93 PolarHBondContact O-N 3.31Å; L89-W145 HydrophobicContact CB-CH2 3.93Å; L89-W145 HydrophobicContact CB-CZ3 4.24Å; L89-W145 HydrophobicContact CD1-CH2 4.19Å; L89-W145 HydrophobicContact CD1-CZ2 4.34Å; L89-W145 HydrophobicContact CD1-CZ3 4.48Å; L89-V155 HydrophobicContact CD1-CG1 3.94Å; L89-V155 HydrophobicContact CD2-CG1 3.94Å; L89-P157 HydrophobicContact CD1-CB 3.92Å
90V97.5Very high96.2Very high62 Ų6227.8 Ų27.838%0.37616%0.156SC..Hα-helixtrans-64.6-39.1179.51750000110.9S87 P88 E93 Q94S87-V90 PolarHBondContact O-N 2.77Å; S87-V90 VanDerWaalsContact O-N 3.13Å; P88-V90 VanDerWaalsContact C-N 3.34Å; P88-V90 PolarHBondContact O-N 3.43Å; V90-E93 PolarHBondContact O-N 2.97Å; V90-Q94 HydrophobicContact CG1-CG 4.37Å; V90-Q94 WeakPolarHBondContact O-CB 3.29Å; V90-Q94 VanDerWaalsContact O-CG 3.27Å; V90-Q94 WeakPolarHBondContact O-CG 3.24Å; V90-Q94 PolarHBondContact O-N 2.94Å
91I98Very high96.5Very high2 Ų232.9 Ų32.91%0.0118%0.182CC..Hα-helixtrans-65.2-43175.5-63.2-53.5000111V81 L83 H86 S87 P88 L89 E93 Q94 F95 L108 L142V81-I91 HydrophobicContact CG1-CD1 3.67Å; V81-I91 HydrophobicContact CG1-CG1 4.02Å; V81-I91 HydrophobicContact CG1-CG2 4.4Å; L83-I91 HydrophobicContact CD1-CG1 4.25Å; H86-I91 HydrophobicContact CB-CD1 3.83Å; H86-I91 HydrophobicContact CB-CG1 3.67Å; S87-I91 PolarHBondContact O-N 3.3Å; P88-I91 PolarHBondContact O-N 3.29Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 PolarHBondContact O-N 2.81Å; I91-E93 VanDerWaalsContact C-N 3.3Å; I91-E93 PolarHBondContact O-N 3.48Å; I91-Q94 PolarHBondContact O-N 2.88Å; I91-F95 HydrophobicContact CG2-CD2 4.01Å; I91-F95 HydrophobicContact CG2-CE2 4.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.46Å; I91-F95 PolarHBondContact O-N 2.93Å; I91-L108 HydrophobicContact CG2-CD1 3.94Å; I91-L108 HydrophobicContact CG2-CD2 4.01Å; I91-L142 HydrophobicContact CG2-CD1 4.47Å; I91-L142 HydrophobicContact CG2-CD2 4.48Å
92A98.4Very high96.6Very high0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-60.1-40.1175.200000112.2P88 L89 G96 L142 W145 F146 P157P88-A92 PolarHBondContact O-N 3.03Å; L89-A92 WeakPolarHBondContact O-CB 3.39Å; L89-A92 PolarHBondContact O-N 3.36Å; A92-G96 WeakPolarHBondContact O-CA 3.26Å; A92-G96 PolarHBondContact O-N 3.01Å; A92-L142 HydrophobicContact CB-CD2 3.69Å; A92-W145 HydrophobicContact CB-CE3 3.89Å; A92-W145 HydrophobicContact CB-CZ3 4.35Å; A92-F146 HydrophobicContact CB-CE1 3.88Å; A92-F146 HydrophobicContact CB-CZ 4.29Å; A92-P157 HydrophobicContact CB-CB 3.54Å; A92-P157 HydrophobicContact CB-CG 3.74Å
93E98.6Very high96.7Very high64 Ų6438.8 Ų38.830%0.29922%0.216SC..Hα-helixtrans-70.7-40178-71.4176.216100113L89 V90 I91 T97 P157 V158 P159L89-E93 WeakPolarHBondContact O-CG 3.14Å; L89-E93 PolarHBondContact O-N 3.31Å; V90-E93 PolarHBondContact O-N 2.97Å; I91-E93 VanDerWaalsContact C-N 3.3Å; I91-E93 PolarHBondContact O-N 3.48Å; E93-T97 VanDerWaalsContact O-CB 3.31Å; E93-T97 WeakPolarHBondContact O-CB 3.42Å; E93-T97 PolarHBondContact O-N 3.34Å; E93-T97 PolarHBondContact O-OG1 2.63Å; E93-P157 HydrophobicContact CG-CB 3.66Å; E93-V158 PolarHBondContact OE1-N 3.19Å; E93-P159 WeakPolarHBondContact CA-O 3.35Å
94Q98.5Very high96.7Very high67 Ų6741.5 Ų41.531%0.31324%0.244SC..Hα-helixtrans-63.8-50.9176.5-74.5178.111.700111.5S61 V90 I91 T97 L98S61-Q94 PolarHBondContact OG-OE1 3.2Å; V90-Q94 HydrophobicContact CG1-CG 4.37Å; V90-Q94 WeakPolarHBondContact O-CB 3.29Å; V90-Q94 VanDerWaalsContact O-CG 3.27Å; V90-Q94 WeakPolarHBondContact O-CG 3.24Å; V90-Q94 PolarHBondContact O-N 2.94Å; I91-Q94 PolarHBondContact O-N 2.88Å; Q94-T97 PolarHBondContact O-N 3.12Å; Q94-L98 WeakPolarHBondContact O-CG 3.48Å; Q94-L98 PolarHBondContact O-N 2.97Å
95F98.7Very high97Very high0 Ų042.2 Ų42.20%025%0.245CC..Hα-helixtrans-72.8-33.1179.8-79.6-102000111.8I64 V81 I91 T97 L98 N99 I106 D107 L108 I165I64-F95 HydrophobicContact CD1-CE1 4.02Å; I64-F95 HydrophobicContact CD1-CZ 3.95Å; V81-F95 HydrophobicContact CG2-CE2 3.76Å; V81-F95 HydrophobicContact CG2-CZ 3.82Å; I91-F95 HydrophobicContact CG2-CD2 4.01Å; I91-F95 HydrophobicContact CG2-CE2 4.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.46Å; I91-F95 PolarHBondContact O-N 2.93Å; F95-T97 VanDerWaalsContact C-N 3.32Å; F95-T97 PolarHBondContact O-N 2.84Å; F95-L98 PolarHBondContact O-N 3.43Å; F95-N99 WeakPolarHBondContact O-CB 3.5Å; F95-N99 PolarHBondContact O-N 3.17Å; F95-I106 HydrophobicContact CD1-CG2 3.73Å; F95-I106 HydrophobicContact CE1-CG2 4.38Å; F95-D107 WeakPolarHBondContact CE1-O 3.37Å; F95-L108 HydrophobicContact CD1-CB 3.8Å; F95-L108 HydrophobicContact CD1-CD1 3.79Å; F95-L108 HydrophobicContact CD1-CG 4.3Å; F95-L108 HydrophobicContact CD2-CD1 3.73Å; F95-L108 HydrophobicContact CE1-CB 4.07Å; F95-L108 HydrophobicContact CE1-CD1 3.6Å; F95-L108 HydrophobicContact CE1-CG 4.43Å; F95-L108 HydrophobicContact CE2-CD1 3.53Å; F95-L108 HydrophobicContact CG-CB 4.29Å; F95-L108 HydrophobicContact CG-CD1 3.85Å; F95-L108 HydrophobicContact CG-CG 4.44Å; F95-L108 HydrophobicContact CZ-CD1 3.46Å; F95-L108 VanDerWaalsContact CZ-CD1 3.46Å; F95-I165 HydrophobicContact CB-CD1 3.94Å; F95-I165 VanDerWaalsContact O-CD1 3.23Å; F95-I165 WeakPolarHBondContact O-CD1 3.16Å
96G98.5Very high97.3Very high0 Ų041.4 Ų41.40%024%0.24CC..Hα-helixtrans-53.7-49.5166.700000111.7A92 N99 T100A92-G96 WeakPolarHBondContact O-CA 3.26Å; A92-G96 PolarHBondContact O-N 3.01Å; G96-N99 PolarHBondContact O-N 2.92Å; G96-T100 PolarHBondContact O-N 2.94Å; G96-T100 PolarHBondContact O-OG1 3.19Å
97T98.7Very high97.6Very high59 Ų5939 Ų3936%0.36223%0.229SC..Hα-helixtrans-63.9-45.9179.8-58.40000111.1E93 Q94 F95 N99 T100 L101 P159E93-T97 VanDerWaalsContact O-CB 3.31Å; E93-T97 WeakPolarHBondContact O-CB 3.42Å; E93-T97 PolarHBondContact O-N 3.34Å; E93-T97 PolarHBondContact O-OG1 2.63Å; Q94-T97 PolarHBondContact O-N 3.12Å; F95-T97 VanDerWaalsContact C-N 3.32Å; F95-T97 PolarHBondContact O-N 2.84Å; T97-N99 VanDerWaalsContact C-N 3.33Å; T97-N99 PolarHBondContact O-N 3.4Å; T97-T100 PolarHBondContact O-N 3.48Å; T97-L101 HydrophobicContact CG2-CD1 4.03Å; T97-L101 WeakPolarHBondContact O-CB 3.5Å; T97-L101 VanDerWaalsContact O-CG 3.31Å; T97-L101 WeakPolarHBondContact O-CG 3.28Å; T97-L101 PolarHBondContact O-N 3.19Å; T97-P159 VanDerWaalsContact CA-CG 3.46Å; T97-P159 WeakPolarHBondContact OG1-CD 3.48Å; T97-P159 WeakPolarHBondContact OG1-CG 3.41Å
98L98.7Very high97.9Very high12 Ų1236.1 Ų36.16%0.06321%0.209CC..Hα-helixtrans-58.8-44.9175.5-71.4169.3000111.2I64 G65 Q94 F95 L101 Y102 I106I64-L98 HydrophobicContact CB-CD1 4.12Å; I64-L98 HydrophobicContact CG2-CD1 3.83Å; I64-L98 HydrophobicContact CG2-CD2 4.22Å; G65-L98 VanDerWaalsContact CA-CD2 3.49Å; Q94-L98 WeakPolarHBondContact O-CG 3.48Å; Q94-L98 PolarHBondContact O-N 2.97Å; F95-L98 PolarHBondContact O-N 3.43Å; L98-L101 PolarHBondContact O-N 3.01Å; L98-Y102 HydrophobicContact CD2-CD2 4.48Å; L98-Y102 HydrophobicContact CD2-CE2 4.34Å; L98-Y102 WeakPolarHBondContact O-CB 3.5Å; L98-Y102 VanDerWaalsContact O-CD2 3.27Å; L98-Y102 WeakPolarHBondContact O-CD2 3.33Å; L98-Y102 PolarHBondContact O-N 3.46Å; L98-I106 HydrophobicContact CB-CD1 4.16Å; L98-I106 HydrophobicContact CB-CG1 3.93Å; L98-I106 HydrophobicContact CB-CG2 4.1Å
99N98.4Very high98.1Very high12 Ų1235.5 Ų35.56%0.06421%0.205CC..Hα-helixtrans-69.2-36.9-180-169.468.3000112.1F95 G96 T97 L101 Y102 P103 G104 I106 E163 I165F95-N99 WeakPolarHBondContact O-CB 3.5Å; F95-N99 PolarHBondContact O-N 3.17Å; G96-N99 PolarHBondContact O-N 2.92Å; T97-N99 VanDerWaalsContact C-N 3.33Å; T97-N99 PolarHBondContact O-N 3.4Å; N99-L101 VanDerWaalsContact C-N 3.33Å; N99-L101 PolarHBondContact O-N 2.97Å; N99-Y102 CarbonylContact O-C 3.54Å; N99-Y102 VanDerWaalsContact O-C 3.27Å; N99-Y102 PolarHBondContact O-N 2.79Å; N99-P103 WeakPolarHBondContact O-CA 3.49Å; N99-G104 PolarHBondContact OD1-N 2.92Å; N99-I106 HydrophobicContact CB-CB 4.26Å; N99-I106 HydrophobicContact CB-CG1 4.4Å; N99-E163 PolarHBondContact ND2-O 2.69Å; N99-E163 PolarHBondContact ND2-OE2 3.18Å; N99-I165 HydrophobicContact CB-CD1 3.75Å; N99-I165 HydrophobicContact CB-CG1 3.86Å
100T98.1Very high98.1Very high76 Ų7633.2 Ų33.247%0.46619%0.193SC..Hα-helixtrans-63.5-39.3173.4-56.90000111.7G96 T97 E163G96-T100 PolarHBondContact O-N 2.94Å; G96-T100 PolarHBondContact O-OG1 3.19Å; T97-T100 PolarHBondContact O-N 3.48Å; T100-E163 PolarHBondContact OG1-OE1 3.36Å
101L98.1Very high98Very high108 Ų10830.5 Ų30.557%0.56518%0.177SC*.Hα-helixtrans-72.9-35.5176.9-70.1170.6000112.6T97 L98 N99T97-L101 HydrophobicContact CG2-CD1 4.03Å; T97-L101 WeakPolarHBondContact O-CB 3.5Å; T97-L101 VanDerWaalsContact O-CG 3.31Å; T97-L101 WeakPolarHBondContact O-CG 3.28Å; T97-L101 PolarHBondContact O-N 3.19Å; L98-L101 PolarHBondContact O-N 3.01Å; N99-L101 VanDerWaalsContact C-N 3.33Å; N99-L101 PolarHBondContact O-N 2.97Å
102Y98Very high97.8Very high49 Ų4934.6 Ų34.619%0.19219%0.193CC..SBendtrans-133.166.8-172.3-47.1-69000110.9A68 A69 L98 N99 G104 R105 I106A68-Y102 HydrophobicContact CB-CD1 4Å; A68-Y102 HydrophobicContact CB-CD2 3.45Å; A68-Y102 VanDerWaalsContact CB-CD2 3.45Å; A68-Y102 HydrophobicContact CB-CE1 4.16Å; A68-Y102 HydrophobicContact CB-CE2 3.63Å; A68-Y102 HydrophobicContact CB-CG 3.65Å; A69-Y102 HydrophobicContact CB-CE1 4.45Å; A69-Y102 WeakPolarHBondContact CB-OH 3.47Å; L98-Y102 HydrophobicContact CD2-CD2 4.48Å; L98-Y102 HydrophobicContact CD2-CE2 4.34Å; L98-Y102 WeakPolarHBondContact O-CB 3.5Å; L98-Y102 VanDerWaalsContact O-CD2 3.27Å; L98-Y102 WeakPolarHBondContact O-CD2 3.33Å; L98-Y102 PolarHBondContact O-N 3.46Å; N99-Y102 CarbonylContact O-C 3.54Å; N99-Y102 VanDerWaalsContact O-C 3.27Å; N99-Y102 PolarHBondContact O-N 2.79Å; Y102-G104 PolarHBondContact O-N 3.11Å; Y102-R105 PolarHBondContact O-N 3.17Å; Y102-I106 HydrophobicContact CD2-CD1 4.48Å
103P96.8Very high97.3Very high98 Ų9837.1 Ų37.164%0.63621%0.213SC*.THydrogen-bonded Turntrans-61.2135.1-168.223.3-34.5000113.1N99 R105N99-P103 WeakPolarHBondContact O-CA 3.49Å; P103-R105 PolarHBondContact O-N 3.21Å
104G95Very high96.6Very high57 Ų5735.9 Ų35.959%0.58821%0.211SC*.THydrogen-bonded Turntrans77.33.3175.600000114.9H75 N99 Y102H75-G104 PolarHBondContact CE1-O 3.04Å; N99-G104 PolarHBondContact OD1-N 2.92Å; Y102-G104 PolarHBondContact O-N 3.11Å
105R97.9Very high95.8Very high31 Ų3133.4 Ų33.412%0.11720%0.203CC..  trans-115-0.1-176.6-66175.456.6-156.6-7.4114T71 T72 L74 H75 L76 Y102 P103T71-R105 VanDerWaalsContact C-NH2 3.31Å; T71-R105 PolarHBondContact O-NH1 3.14Å; T71-R105 PolarHBondContact O-NH2 3.33Å; T71-R105 PolarHBondContact OG1-NH2 2.95Å; T72-R105 VanDerWaalsContact C-NH1 3.3Å; T72-R105 VanDerWaalsContact CA-NH1 3.34Å; T72-R105 VanDerWaalsContact O-CD 3.31Å; T72-R105 WeakPolarHBondContact O-CD 3.44Å; T72-R105 VanDerWaalsContact O-CZ 3.27Å; T72-R105 PolarHBondContact O-NE 3.13Å; T72-R105 PolarHBondContact O-NH1 3.05Å; T72-R105 VanDerWaalsContact O-NH1 3.11Å; L74-R105 PolarHBondContact O-NE 2.74Å; L74-R105 VanDerWaalsContact O-NE 3.07Å; L74-R105 PolarHBondContact O-NH2 2.96Å; H75-R105 CarbonylContact C-O 3.53Å; H75-R105 VanDerWaalsContact CA-O 3.3Å; H75-R105 WeakPolarHBondContact CA-O 3.28Å; L76-R105 PolarHBondContact N-O 3.47Å; Y102-R105 PolarHBondContact O-N 3.17Å; P103-R105 PolarHBondContact O-N 3.21Å
106I98.6Very high95.2Very high0 Ų034.6 Ų34.60%021%0.212CC..EExtended strand (participates in β ladder)trans-106126.5-173.8-58-53.3000111.3I64 L76 F95 L98 N99 Y102 I165 P166I64-I106 HydrophobicContact CG2-CD1 4.1Å; L76-I106 HydrophobicContact CB-CD1 4.46Å; L76-I106 CarbonylContact O-C 3.28Å; L76-I106 VanDerWaalsContact O-CA 3.27Å; L76-I106 WeakPolarHBondContact O-CA 3.28Å; F95-I106 HydrophobicContact CD1-CG2 3.73Å; F95-I106 HydrophobicContact CE1-CG2 4.38Å; L98-I106 HydrophobicContact CB-CD1 4.16Å; L98-I106 HydrophobicContact CB-CG1 3.93Å; L98-I106 HydrophobicContact CB-CG2 4.1Å; N99-I106 HydrophobicContact CB-CB 4.26Å; N99-I106 HydrophobicContact CB-CG1 4.4Å; Y102-I106 HydrophobicContact CD2-CD1 4.48Å; I106-I165 HydrophobicContact CG2-CG2 4.49Å; I106-P166 WeakPolarHBondContact O-CD 3.34Å
107D98.4Very high94.6Very high1 Ų137.9 Ų37.91%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-111.3140.5171.7-58.9-47.9000111.1R43 W45 L76 G77 S78 F95R43-D107 WeakPolarHBondContact CD-OD2 3.48Å; R43-D107 IonicContact CZ-OD2 2.98Å; R43-D107 IonicContact NE-OD2 3.32Å; R43-D107 IonicContact NH1-OD1 3.7Å; R43-D107 PolarHBondContact NH1-OD1 3.41Å; R43-D107 IonicContact NH1-OD2 3.75Å; R43-D107 PolarHBondContact NH1-OD2 3.05Å; W45-D107 HydrophobicContact CZ2-CB 4.08Å; W45-D107 PolarHBondContact NE1-OD2 3.44Å; L76-D107 PolarHBondContact O-N 3.22Å; G77-D107 WeakPolarHBondContact CA-O 3.35Å; S78-D107 PolarHBondContact N-O 3.48Å; F95-D107 WeakPolarHBondContact CE1-O 3.37Å
108L98.7Very high93.8Very high0 Ų042 Ų420%024%0.244CC..EExtended strand (participates in β ladder)trans-108.7100.6171.7176.960.4000110.6V81 I91 F95 L110 L142 F146 I165 P166 V167 W168V81-L108 HydrophobicContact CB-CD1 4.42Å; V81-L108 HydrophobicContact CG2-CD1 4.04Å; I91-L108 HydrophobicContact CG2-CD1 3.94Å; I91-L108 HydrophobicContact CG2-CD2 4.01Å; F95-L108 HydrophobicContact CD1-CB 3.8Å; F95-L108 HydrophobicContact CD1-CD1 3.79Å; F95-L108 HydrophobicContact CD1-CG 4.3Å; F95-L108 HydrophobicContact CD2-CD1 3.73Å; F95-L108 HydrophobicContact CE1-CB 4.07Å; F95-L108 HydrophobicContact CE1-CD1 3.6Å; F95-L108 HydrophobicContact CE1-CG 4.43Å; F95-L108 HydrophobicContact CE2-CD1 3.53Å; F95-L108 HydrophobicContact CG-CB 4.29Å; F95-L108 HydrophobicContact CG-CD1 3.85Å; F95-L108 HydrophobicContact CG-CG 4.44Å; F95-L108 HydrophobicContact CZ-CD1 3.46Å; F95-L108 VanDerWaalsContact CZ-CD1 3.46Å; L108-L110 HydrophobicContact CD1-CD2 3.68Å; L108-L110 HydrophobicContact CD1-CG 4.39Å; L108-L110 HydrophobicContact CD2-CD1 4.43Å; L108-L110 HydrophobicContact CD2-CD2 3.93Å; L108-L110 HydrophobicContact CD2-CG 4.34Å; L108-L110 HydrophobicContact CG-CD2 3.72Å; L108-L110 HydrophobicContact CG-CG 3.99Å; L108-L142 HydrophobicContact CD2-CD1 4.2Å; L108-F146 HydrophobicContact CD2-CE2 3.66Å; L108-F146 HydrophobicContact CD2-CZ 3.95Å; L108-I165 HydrophobicContact CB-CG2 4.25Å; L108-P166 PolarHBondContact N-O 3.22Å; L108-V167 CarbonylContact O-C 3.59Å; L108-V167 WeakPolarHBondContact O-CA 2.99Å; L108-W168 PolarHBondContact O-N 2.81Å
109G98.5Very high93.4Very high0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans-90.9130.116700000112.1S78 G80 V81 W168S78-G109 WeakPolarHBondContact O-CA 3.44Å; S78-G109 PolarHBondContact O-N 3.33Å; S78-G109 PolarHBondContact OG-N 2.87Å; S78-G109 PolarHBondContact OG-O 3.02Å; G80-G109 CarbonylContact C-O 3.58Å; G80-G109 WeakPolarHBondContact CA-O 3.49Å; V81-G109 PolarHBondContact N-O 2.86Å; G109-W168 WeakPolarHBondContact CA-O 3.23Å
110L98.3Very high92.9Very high0 Ų051.3 Ų51.30%028%0.279CS..EExtended strand (participates in β ladder)trans-114.2132.8-174.1-59.9171000110.8V81 L83 L108 F135 V139 L142 V167 W168 L169 L170V81-L110 HydrophobicContact CB-CD2 4.26Å; L83-L110 HydrophobicContact CB-CD2 4.33Å; L83-L110 HydrophobicContact CD1-CD2 4.38Å; L83-L110 HydrophobicContact CD2-CD1 4.28Å; L83-L110 HydrophobicContact CD2-CD2 4.35Å; L108-L110 HydrophobicContact CD1-CD2 3.68Å; L108-L110 HydrophobicContact CD1-CG 4.39Å; L108-L110 HydrophobicContact CD2-CD1 4.43Å; L108-L110 HydrophobicContact CD2-CD2 3.93Å; L108-L110 HydrophobicContact CD2-CG 4.34Å; L108-L110 HydrophobicContact CG-CD2 3.72Å; L108-L110 HydrophobicContact CG-CG 3.99Å; L110-F135 HydrophobicContact CB-CE2 4.47Å; L110-F135 HydrophobicContact CB-CZ 4.47Å; L110-V139 HydrophobicContact CD1-CG1 4.4Å; L110-V139 HydrophobicContact CD1-CG2 3.98Å; L110-L142 HydrophobicContact CD1-CD1 3.73Å; L110-L142 HydrophobicContact CD2-CD1 4.06Å; L110-V167 HydrophobicContact CD1-CG1 3.63Å; L110-V167 HydrophobicContact CG-CG1 4.37Å; L110-W168 PolarHBondContact N-O 3.38Å; L110-L169 HydrophobicContact CB-CD2 4.11Å; L110-L170 PolarHBondContact O-N 3.05Å
111G95.7Very high92.2Very high4 Ų450.1 Ų50.14%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-119.9150.317500000111.9V81 M82 L83 P84 F135V81-G111 PolarHBondContact O-N 2.76Å; M82-G111 CarbonylContact C-O 3.53Å; M82-G111 WeakPolarHBondContact CA-O 3.46Å; L83-G111 PolarHBondContact N-O 3.49Å; P84-G111 WeakPolarHBondContact CD-O 3.47Å; G111-F135 WeakPolarHBondContact O-CE2 3.31Å
112R93Very high91.6Very high89 Ų8949.4 Ų49.434%0.33626%0.264SS..  trans-92.7-23.1176.7-176.8175.2172.3-120.51.9113.4R126 D133 F135R112-R126 PolarHBondContact O-NH2 3.5Å; R112-R126 VanDerWaalsContact O-NH2 3.07Å; R112-D133 IonicContact CZ-OD1 2.93Å; R112-D133 IonicContact CZ-OD2 2.68Å; R112-D133 IonicContact NE-OD1 3.76Å; R112-D133 PolarHBondContact NE-OD1 3.49Å; R112-D133 VanDerWaalsContact NE-OD1 3.11Å; R112-D133 IonicContact NE-OD2 3.81Å; R112-D133 PolarHBondContact NE-OD2 3.29Å; R112-D133 VanDerWaalsContact NH2-CG 3.33Å; R112-D133 IonicContact NH2-OD1 3.11Å; R112-D133 IonicContact NH2-OD2 3.22Å; R112-D133 PolarHBondContact NH2-OD2 2.86Å; R112-F135 HydrophobicContact CB-CD1 3.96Å; R112-F135 HydrophobicContact CB-CD2 4.12Å; R112-F135 HydrophobicContact CB-CE1 3.94Å; R112-F135 HydrophobicContact CB-CE2 4.12Å; R112-F135 HydrophobicContact CB-CG 4.03Å; R112-F135 HydrophobicContact CB-CZ 4.02Å; R112-F135 HydrophobicContact CG-CB 4.23Å; R112-F135 HydrophobicContact CG-CD1 4.12Å; R112-F135 HydrophobicContact CG-CD2 4.41Å; R112-F135 HydrophobicContact CG-CG 4Å
113A89.2Confident91.1Very high52 Ų5250.8 Ų50.843%0.4329%0.286SS..SBendtrans-60161.8-178.300000111.2M82 R126M82-A113 WeakPolarHBondContact CB-O 3.42Å; M82-A113 WeakPolarHBondContact CG-O 3.47Å; M82-A113 HydrophobicContact SD-CB 3.91Å; A113-R126 PolarHBondContact O-NH1 3.29Å
114P83.6Confident90.6Very high39 Ų3948.7 Ų48.725%0.25327%0.269SS..  trans-76.7-22177.428.8-34.4000114.5N85 S116 M121N85-P114 PolarHBondContact ND2-O 3.08Å; P114-S116 WeakPolarHBondContact CG-O 3.46Å; P114-S116 PolarHBondContact O-N 2.88Å; P114-M121 HydrophobicContact CB-CE 4.08Å; P114-M121 HydrophobicContact CB-CG 3.58Å; P114-M121 HydrophobicContact CB-SD 3.44Å; P114-M121 WeakPolarHBondContact CB-SD 3.29Å; P114-M121 HydrophobicContact CG-SD 3.95Å
115G81.9Confident89.9Confident14 Ų1456.2 Ų56.214%0.14428%0.279CS..SBendtrans64.514.5-171.300000113.7H49 H50H49-G115 WeakPolarHBondContact CA-O 3.21Å; H50-G115 PolarHBondContact N-O 3.39Å
116S85.2Confident88.7Confident26 Ų2657.1 Ų57.118%0.18228%0.283CS..SBendtrans-168.5178.3-179-157.20000112.9H50 P114 T120H50-S116 PolarHBondContact O-OG 2.88Å; P114-S116 WeakPolarHBondContact CG-O 3.46Å; P114-S116 PolarHBondContact O-N 2.88Å; S116-T120 WeakPolarHBondContact OG-CB 3.41Å; S116-T120 WeakPolarHBondContact OG-CG2 3.39Å; S116-T120 PolarHBondContact OG-OG1 3.43Å
117D85.5Confident86.9Confident68 Ų6863.1 Ų63.136%0.36431%0.31SS..  trans-72.8168.5168.473.391.4000114.4R119 T120 M121D117-R119 PolarHBondContact O-N 3.25Å; D117-R119 WeakPolarHBondContact OD1-CA 3.47Å; D117-R119 VanDerWaalsContact OD1-CB 3.26Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 2.85Å; D117-T120 PolarHBondContact O-N 3.18Å; D117-T120 PolarHBondContact OD1-N 3.45Å; D117-T120 VanDerWaalsContact OD1-N 3.15Å; D117-T120 WeakPolarHBondContact OD2-CB 3.36Å; D117-T120 PolarHBondContact OD2-OG1 2.88Å; D117-M121 WeakPolarHBondContact O-CG 3.22Å; D117-M121 PolarHBondContact O-N 3.38Å
118Q83Confident84.7Confident147 Ų14770.5 Ų70.569%0.68735%0.347SS*.Hα-helixtrans-62.5-35.3-177-172.6179.8-6.800114.2T120 M121 M122Q118-T120 VanDerWaalsContact C-N 3.32Å; Q118-M121 PolarHBondContact O-N 3.25Å; Q118-M122 WeakPolarHBondContact O-CG 3.48Å; Q118-M122 PolarHBondContact O-N 3.16Å
119R88.5Confident82.2Confident204 Ų20475.3 Ų75.377%0.7738%0.38SS*.Hα-helixtrans-66.9-40.6178.6-63.4-180175.2177.2-0.5110.4D117 M122 A123D117-R119 PolarHBondContact O-N 3.25Å; D117-R119 WeakPolarHBondContact OD1-CA 3.47Å; D117-R119 VanDerWaalsContact OD1-CB 3.26Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 2.85Å; R119-M122 HydrophobicContact CB-CE 4.37Å; R119-M122 HydrophobicContact CG-CE 4.22Å; R119-M122 WeakPolarHBondContact O-CB 3.3Å; R119-M122 PolarHBondContact O-N 3.1Å; R119-A123 PolarHBondContact O-N 3.08Å
120T88.5Confident79.8Confident14 Ų1478.1 Ų78.19%0.08641%0.409CS..Hα-helixtrans-67.4-38.6175.3-53.90000111.8H50 N51 S116 D117 Q118 M122 A123 L124H50-T120 HydrophobicContact CB-CG2 3.53Å; N51-T120 HydrophobicContact CB-CG2 3.72Å; N51-T120 WeakPolarHBondContact CB-OG1 3.27Å; N51-T120 PolarHBondContact ND2-OG1 2.76Å; N51-T120 VanDerWaalsContact ND2-OG1 3.17Å; S116-T120 WeakPolarHBondContact OG-CB 3.41Å; S116-T120 WeakPolarHBondContact OG-CG2 3.39Å; S116-T120 PolarHBondContact OG-OG1 3.43Å; D117-T120 PolarHBondContact O-N 3.18Å; D117-T120 PolarHBondContact OD1-N 3.45Å; D117-T120 VanDerWaalsContact OD1-N 3.15Å; D117-T120 WeakPolarHBondContact OD2-CB 3.36Å; D117-T120 PolarHBondContact OD2-OG1 2.88Å; Q118-T120 VanDerWaalsContact C-N 3.32Å; T120-M122 VanDerWaalsContact C-N 3.28Å; T120-M122 PolarHBondContact O-N 3.3Å; T120-A123 CarbonylContact O-C 3.27Å; T120-A123 WeakPolarHBondContact O-CA 3.49Å; T120-A123 WeakPolarHBondContact O-CB 3.38Å; T120-A123 PolarHBondContact O-N 3.47Å; T120-L124 HydrophobicContact CG2-CD1 4.38Å; T120-L124 WeakPolarHBondContact O-CG 3.47Å; T120-L124 PolarHBondContact O-N 2.92Å
121M84.6Confident77.6Confident51 Ų5186.7 Ų86.725%0.25146%0.455SS..Hα-helixtrans-57.6-41.1172.4-68.7169.866.200112.4P114 D117 Q118 A123 L124 R125 R126P114-M121 HydrophobicContact CB-CE 4.08Å; P114-M121 HydrophobicContact CB-CG 3.58Å; P114-M121 HydrophobicContact CB-SD 3.44Å; P114-M121 WeakPolarHBondContact CB-SD 3.29Å; P114-M121 HydrophobicContact CG-SD 3.95Å; D117-M121 WeakPolarHBondContact O-CG 3.22Å; D117-M121 PolarHBondContact O-N 3.38Å; Q118-M121 PolarHBondContact O-N 3.25Å; M121-A123 VanDerWaalsContact C-N 3.33Å; M121-L124 PolarHBondContact O-N 3.48Å; M121-R125 PolarHBondContact O-N 3.37Å; M121-R126 PolarHBondContact O-N 3.25Å
122M84.7Confident75.7Confident94 Ų9492.7 Ų92.746%0.46349%0.485SS..Hα-helixtrans-63.8-38.8174.3-69-173.9-70.700111.7Q118 R119 T120 R125 M128Q118-M122 WeakPolarHBondContact O-CG 3.48Å; Q118-M122 PolarHBondContact O-N 3.16Å; R119-M122 HydrophobicContact CB-CE 4.37Å; R119-M122 HydrophobicContact CG-CE 4.22Å; R119-M122 WeakPolarHBondContact O-CB 3.3Å; R119-M122 PolarHBondContact O-N 3.1Å; T120-M122 VanDerWaalsContact C-N 3.28Å; T120-M122 PolarHBondContact O-N 3.3Å; M122-R125 PolarHBondContact O-N 3.14Å; M122-R125 VanDerWaalsContact O-N 3.1Å; M122-M128 HydrophobicContact CG-SD 4.47Å
123A88.2Confident74.9Confident78 Ų7891.3 Ų91.365%0.64548%0.484SS*.Hα-helixtrans-66.9-37176.300000112.8R119 T120 M121 R125R119-A123 PolarHBondContact O-N 3.08Å; T120-A123 CarbonylContact O-C 3.27Å; T120-A123 WeakPolarHBondContact O-CA 3.49Å; T120-A123 WeakPolarHBondContact O-CB 3.38Å; T120-A123 PolarHBondContact O-N 3.47Å; M121-A123 VanDerWaalsContact C-N 3.33Å; A123-R125 PolarHBondContact O-N 2.67Å
124L86.6Confident74.8Confident53 Ų5391.7 Ų91.728%0.27748%0.479SS..THydrogen-bonded Turntrans-68.3-12.1172.2-69.2170000112.8H50 N85 T120 M121 R126H50-L124 HydrophobicContact CB-CD1 4.32Å; N85-L124 HydrophobicContact CB-CD1 4.27Å; T120-L124 HydrophobicContact CG2-CD1 4.38Å; T120-L124 WeakPolarHBondContact O-CG 3.47Å; T120-L124 PolarHBondContact O-N 2.92Å; M121-L124 PolarHBondContact O-N 3.48Å; L124-R126 PolarHBondContact O-N 3.15Å
125R79.7Confident75.3Confident216 Ų21689.9 Ų89.982%0.81547%0.467SS*.THydrogen-bonded Turntrans56.432.6-175.9-52.7179.4179.5-179.6-0.8112.5M121 M122 A123 H127M121-R125 PolarHBondContact O-N 3.37Å; M122-R125 PolarHBondContact O-N 3.14Å; M122-R125 VanDerWaalsContact O-N 3.1Å; A123-R125 PolarHBondContact O-N 2.67Å; R125-H127 PolarHBondContact O-N 2.91Å; R125-H127 VanDerWaalsContact O-N 3.14Å
126R72.1Confident75.9Confident50 Ų5091.1 Ų91.119%0.18947%0.473CS..  trans-50.4123.8170.5172.9160.3175.3161.20.9108P84 N85 R112 A113 M121 L124 M128P84-R126 VanDerWaalsContact CB-NH2 3.32Å; P84-R126 WeakPolarHBondContact O-CG 3.14Å; N85-R126 VanDerWaalsContact OD1-CD 3.31Å; N85-R126 WeakPolarHBondContact OD1-CD 3.17Å; N85-R126 PolarHBondContact OD1-NH1 2.95Å; R112-R126 PolarHBondContact O-NH2 3.5Å; R112-R126 VanDerWaalsContact O-NH2 3.07Å; A113-R126 PolarHBondContact O-NH1 3.29Å; M121-R126 PolarHBondContact O-N 3.25Å; L124-R126 PolarHBondContact O-N 3.15Å; R126-M128 PolarHBondContact O-N 3.4Å
127H60.5Low76.4Confident125 Ų12598 Ų9858%0.57950%0.495SS*.  trans-29.496.3-171.5-71.9-75.5000113.1R125 S129R125-H127 PolarHBondContact O-N 2.91Å; R125-H127 VanDerWaalsContact O-N 3.14Å; H127-S129 PolarHBondContact O-N 3.25Å
128M52.2Low76.8Confident156 Ų15695.8 Ų95.877%0.76848%0.483SS*.  trans-73.9-9174.1-68.2-69.8-70.500111.4M122 R126M122-M128 HydrophobicContact CG-SD 4.47Å; R126-M128 PolarHBondContact O-N 3.4Å
129S46.6Very low77.5Confident101 Ų10188.8 Ų88.871%0.70645%0.45SS*.SBendtrans-102.286.2-176.257.80000111H127H127-S129 PolarHBondContact O-N 3.25Å
130G47.6Very low77.9Confident59 Ų5980.5 Ų80.561%0.60843%0.425SS*.  trans120.4124156.900000114.8I132G130-I132 PolarHBondContact O-N 3.1Å
131D53.3Low78.3Confident180 Ų18083 Ų8396%0.96344%0.436SS*.SBendtrans-55.89175-71.6-50.2000115.9
132I55.4Low78.9Confident130 Ų13080.6 Ų80.667%0.66742%0.424SS*.  trans-95.1111.3-174.5-54.6176.8000108.9G130 N134G130-I132 PolarHBondContact O-N 3.1Å; I132-N134 PolarHBondContact O-N 2.82Å
133D76.4Confident79.5Confident61 Ų6176.5 Ų76.533%0.32640%0.404SS..  trans-65.290.2171.5-176.527.1000110.5R112 F135 P136 Y175R112-D133 IonicContact CZ-OD1 2.93Å; R112-D133 IonicContact CZ-OD2 2.68Å; R112-D133 IonicContact NE-OD1 3.76Å; R112-D133 PolarHBondContact NE-OD1 3.49Å; R112-D133 VanDerWaalsContact NE-OD1 3.11Å; R112-D133 IonicContact NE-OD2 3.81Å; R112-D133 PolarHBondContact NE-OD2 3.29Å; R112-D133 VanDerWaalsContact NH2-CG 3.33Å; R112-D133 IonicContact NH2-OD1 3.11Å; R112-D133 IonicContact NH2-OD2 3.22Å; R112-D133 PolarHBondContact NH2-OD2 2.86Å; D133-F135 PolarHBondContact O-N 3.42Å; D133-P136 WeakPolarHBondContact O-CD 3.44Å; D133-Y175 WeakPolarHBondContact OD2-CE2 3.24Å; D133-Y175 VanDerWaalsContact OD2-CZ 3.31Å; D133-Y175 PolarHBondContact OD2-OH 2.95Å
134N87.3Confident80Confident59 Ų5975.6 Ų75.632%0.31639%0.389SS..  trans-73.6-7.7-178.3-69-36.7000113.8I132 R137 D138I132-N134 PolarHBondContact O-N 2.82Å; N134-R137 WeakPolarHBondContact O-CA 3.47Å; N134-R137 WeakPolarHBondContact O-CB 3.42Å; N134-R137 PolarHBondContact O-N 2.99Å; N134-D138 PolarHBondContact O-N 3.39Å
135F93.3Very high80.5Confident1 Ų174.1 Ų74.10%0.00438%0.38CS..Hα-helixtrans-52-45.1-171.8-179.8-105000114.5L83 P84 L110 G111 R112 D133 R137 D138 V139 L169 Y175 L179L83-F135 HydrophobicContact CB-CD2 4.03Å; L83-F135 HydrophobicContact CB-CE2 3.86Å; L83-F135 HydrophobicContact CD2-CD2 4.07Å; L83-F135 HydrophobicContact CD2-CE2 4.06Å; L83-F135 HydrophobicContact CG-CD2 4.47Å; P84-F135 HydrophobicContact CG-CD2 4.07Å; L110-F135 HydrophobicContact CB-CE2 4.47Å; L110-F135 HydrophobicContact CB-CZ 4.47Å; G111-F135 WeakPolarHBondContact O-CE2 3.31Å; R112-F135 HydrophobicContact CB-CD1 3.96Å; R112-F135 HydrophobicContact CB-CD2 4.12Å; R112-F135 HydrophobicContact CB-CE1 3.94Å; R112-F135 HydrophobicContact CB-CE2 4.12Å; R112-F135 HydrophobicContact CB-CG 4.03Å; R112-F135 HydrophobicContact CB-CZ 4.02Å; R112-F135 HydrophobicContact CG-CB 4.23Å; R112-F135 HydrophobicContact CG-CD1 4.12Å; R112-F135 HydrophobicContact CG-CD2 4.41Å; R112-F135 HydrophobicContact CG-CG 4Å; D133-F135 PolarHBondContact O-N 3.42Å; F135-R137 VanDerWaalsContact C-N 3.31Å; F135-R137 PolarHBondContact O-N 3.27Å; F135-D138 PolarHBondContact O-N 2.87Å; F135-V139 HydrophobicContact CD1-CG2 4.42Å; F135-V139 HydrophobicContact CD2-CG2 4.28Å; F135-V139 HydrophobicContact CE1-CG2 4.11Å; F135-V139 HydrophobicContact CE2-CG2 3.95Å; F135-V139 HydrophobicContact CZ-CG2 3.87Å; F135-V139 VanDerWaalsContact O-CG2 3.23Å; F135-V139 WeakPolarHBondContact O-CG2 3.43Å; F135-V139 PolarHBondContact O-N 3.29Å; F135-L169 HydrophobicContact CE1-CD2 4.17Å; F135-L169 HydrophobicContact CZ-CD2 3.88Å; F135-Y175 AromaticContact CD1-CE1 3.9Å; F135-Y175 HydrophobicContact CD1-CE1 3.9Å; F135-Y175 HydrophobicContact CE1-CE1 4.42Å; F135-L179 HydrophobicContact CD1-CD2 3.83Å; F135-L179 HydrophobicContact CE1-CD2 3.7Å
136P94.9Very high81.3Confident41 Ų4163.9 Ų63.927%0.26634%0.341SS..Hα-helixtrans-61.1-38.6175.5-25.236.7000113.7D133 A140 Y175 L179D133-P136 WeakPolarHBondContact O-CD 3.44Å; P136-A140 WeakPolarHBondContact O-CB 3.4Å; P136-A140 PolarHBondContact O-N 3.43Å; P136-A140 VanDerWaalsContact O-N 3.07Å; P136-Y175 VanDerWaalsContact CD-OH 3.25Å; P136-Y175 WeakPolarHBondContact CD-OH 3.48Å; P136-Y175 HydrophobicContact CG-CE1 4.42Å; P136-Y175 WeakPolarHBondContact CG-OH 3.18Å; P136-L179 HydrophobicContact CB-CD1 3.83Å; P136-L179 HydrophobicContact CB-CD2 4.27Å; P136-L179 HydrophobicContact CG-CD1 4.33Å; P136-L179 HydrophobicContact CG-CD2 4.32Å
137R94.9Very high82.5Confident171 Ų17162.4 Ų62.465%0.64534%0.337SS*.Hα-helixtrans-68.1-44.8178.7178.4-175.4171.6-177.5-3.1110.4N134 F135 V139 A140 E141N134-R137 WeakPolarHBondContact O-CA 3.47Å; N134-R137 WeakPolarHBondContact O-CB 3.42Å; N134-R137 PolarHBondContact O-N 2.99Å; F135-R137 VanDerWaalsContact C-N 3.31Å; F135-R137 PolarHBondContact O-N 3.27Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.17Å; R137-A140 PolarHBondContact O-N 2.84Å; R137-E141 WeakPolarHBondContact O-CB 3.37Å; R137-E141 PolarHBondContact O-N 2.84Å
138D95.6Very high84.3Confident21 Ų2158.3 Ų58.311%0.11232%0.324CS..Hα-helixtrans-64.6-39.4-179.4-62-17.1000111.4L83 P88 N134 F135 E141 L142L83-D138 HydrophobicContact CD2-CB 3.62Å; L83-D138 HydrophobicContact CG-CB 4.14Å; P88-D138 HydrophobicContact CB-CB 4.5Å; P88-D138 HydrophobicContact CG-CB 3.68Å; N134-D138 PolarHBondContact O-N 3.39Å; F135-D138 PolarHBondContact O-N 2.87Å; D138-E141 PolarHBondContact O-N 2.83Å; D138-L142 WeakPolarHBondContact O-CG 3.4Å; D138-L142 PolarHBondContact O-N 2.85Å
139V97.6Very high86.3Confident0 Ų058 Ų580%032%0.315CS..Hα-helixtrans-63.2-45.6173.1173.20000110.9L83 L110 F135 R137 E141 L142 V143 L169 L179 L183 L185L83-V139 HydrophobicContact CD2-CG2 3.91Å; L110-V139 HydrophobicContact CD1-CG1 4.4Å; L110-V139 HydrophobicContact CD1-CG2 3.98Å; F135-V139 HydrophobicContact CD1-CG2 4.42Å; F135-V139 HydrophobicContact CD2-CG2 4.28Å; F135-V139 HydrophobicContact CE1-CG2 4.11Å; F135-V139 HydrophobicContact CE2-CG2 3.95Å; F135-V139 HydrophobicContact CZ-CG2 3.87Å; F135-V139 VanDerWaalsContact O-CG2 3.23Å; F135-V139 WeakPolarHBondContact O-CG2 3.43Å; F135-V139 PolarHBondContact O-N 3.29Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.17Å; V139-E141 VanDerWaalsContact C-N 3.34Å; V139-E141 PolarHBondContact O-N 3.49Å; V139-L142 PolarHBondContact O-N 3.33Å; V139-V143 WeakPolarHBondContact O-CG2 3.41Å; V139-V143 PolarHBondContact O-N 3Å; V139-L169 HydrophobicContact CG1-CD2 4.09Å; V139-L169 HydrophobicContact CG2-CD2 3.87Å; V139-L179 HydrophobicContact CG2-CD2 4.43Å; V139-L183 HydrophobicContact CB-CD1 4.43Å; V139-L183 HydrophobicContact CG1-CD1 3.62Å; V139-L185 HydrophobicContact CG1-CD1 4.12Å
140A96.3Very high88.5Confident30 Ų3056.8 Ų56.825%0.24830%0.3CS..Hα-helixtrans-62.8-41.4178.600000111.7P136 R137 V143 D144P136-A140 WeakPolarHBondContact O-CB 3.4Å; P136-A140 PolarHBondContact O-N 3.43Å; P136-A140 VanDerWaalsContact O-N 3.07Å; R137-A140 PolarHBondContact O-N 2.84Å; A140-V143 PolarHBondContact O-N 3.1Å; A140-D144 WeakPolarHBondContact O-CB 3.26Å; A140-D144 PolarHBondContact O-N 3.42Å
141E96.3Very high90.6Very high67 Ų6759.3 Ų59.331%0.31331%0.306SS..Hα-helixtrans-62.2-44.6177.6-171174-117.700112R137 D138 V139 V143 D144 W145R137-E141 WeakPolarHBondContact O-CB 3.37Å; R137-E141 PolarHBondContact O-N 2.84Å; D138-E141 PolarHBondContact O-N 2.83Å; V139-E141 VanDerWaalsContact C-N 3.34Å; V139-E141 PolarHBondContact O-N 3.49Å; E141-V143 PolarHBondContact O-N 3.06Å; E141-D144 PolarHBondContact O-N 3.44Å; E141-W145 VanDerWaalsContact CD-CH2 3.44Å; E141-W145 HydrophobicContact CG-CD2 4.18Å; E141-W145 HydrophobicContact CG-CE3 4.11Å; E141-W145 HydrophobicContact CG-CH2 3.58Å; E141-W145 HydrophobicContact CG-CZ2 3.69Å; E141-W145 HydrophobicContact CG-CZ3 3.81Å; E141-W145 PolarHBondContact O-N 2.83Å; E141-W145 WeakPolarHBondContact OE2-CH2 3.31Å
142L97.8Very high92.5Very high0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-57.7-47.6172.9-75.3173.5000112L83 P88 I91 A92 L108 L110 D138 V139 D144 W145 F146L83-L142 HydrophobicContact CD1-CD1 3.9Å; L83-L142 HydrophobicContact CD2-CD1 3.95Å; P88-L142 HydrophobicContact CB-CD2 4.3Å; P88-L142 HydrophobicContact CB-CG 4.27Å; P88-L142 VanDerWaalsContact O-CD2 3.22Å; P88-L142 WeakPolarHBondContact O-CD2 3.16Å; I91-L142 HydrophobicContact CG2-CD1 4.47Å; I91-L142 HydrophobicContact CG2-CD2 4.48Å; A92-L142 HydrophobicContact CB-CD2 3.69Å; L108-L142 HydrophobicContact CD2-CD1 4.2Å; L110-L142 HydrophobicContact CD1-CD1 3.73Å; L110-L142 HydrophobicContact CD2-CD1 4.06Å; D138-L142 WeakPolarHBondContact O-CG 3.4Å; D138-L142 PolarHBondContact O-N 2.85Å; V139-L142 PolarHBondContact O-N 3.33Å; L142-D144 VanDerWaalsContact C-N 3.35Å; L142-W145 HydrophobicContact CD2-CE3 4.31Å; L142-W145 HydrophobicContact CD2-CZ3 4.42Å; L142-W145 PolarHBondContact O-N 3.11Å; L142-F146 HydrophobicContact CD2-CZ 4.49Å; L142-F146 WeakPolarHBondContact O-CD2 3.45Å; L142-F146 VanDerWaalsContact O-CG 3.28Å; L142-F146 WeakPolarHBondContact O-CG 3.39Å; L142-F146 PolarHBondContact O-N 2.73Å
143V97.7Very high94.3Very high7 Ų751.2 Ų51.24%0.04227%0.265CS..Hα-helixtrans-62.7-43178.8168.40000110.9V139 A140 E141 W145 F146 D147 V167 L185V139-V143 WeakPolarHBondContact O-CG2 3.41Å; V139-V143 PolarHBondContact O-N 3Å; A140-V143 PolarHBondContact O-N 3.1Å; E141-V143 PolarHBondContact O-N 3.06Å; V143-W145 PolarHBondContact O-N 2.88Å; V143-F146 PolarHBondContact O-N 2.93Å; V143-D147 VanDerWaalsContact O-CB 3.25Å; V143-D147 WeakPolarHBondContact O-CB 3.48Å; V143-D147 PolarHBondContact O-N 3.28Å; V143-V167 HydrophobicContact CG2-CB 4.34Å; V143-V167 HydrophobicContact CG2-CG1 4.35Å; V143-V167 HydrophobicContact CG2-CG2 4.23Å; V143-L185 HydrophobicContact CG2-CD1 4.22Å; V143-L185 HydrophobicContact CG2-CD2 4.46Å
144D97.1Very high95.2Very high60 Ų6057.7 Ų57.732%0.32129%0.293SS..Hα-helixtrans-62.4-42.3179.4-73.9-7000111.7A140 E141 L142 D147 A148 R149A140-D144 WeakPolarHBondContact O-CB 3.26Å; A140-D144 PolarHBondContact O-N 3.42Å; E141-D144 PolarHBondContact O-N 3.44Å; L142-D144 VanDerWaalsContact C-N 3.35Å; D144-D147 PolarHBondContact O-N 2.72Å; D144-A148 PolarHBondContact O-N 3.07Å; D144-R149 PolarHBondContact O-N 2.9Å; D144-R149 VanDerWaalsContact O-N 3.09Å; D144-R149 WeakPolarHBondContact OD1-CD 3.42Å; D144-R149 IonicContact OD1-CZ 3.68Å; D144-R149 IonicContact OD1-NE 3.99Å; D144-R149 PolarHBondContact OD1-NE 3.07Å; D144-R149 IonicContact OD1-NH1 2.73Å; D144-R149 PolarHBondContact OD1-NH1 3.33Å
145W97.8Very high95.6Very high22 Ų2258.6 Ų58.68%0.08330%0.3CS..Hα-helixtrans-65-48.3174.1-75.3-33.7000112.7P88 L89 A92 E141 L142 V143 D147 A148 V155 P157 Y161 G162P88-W145 HydrophobicContact CB-CZ3 4.05Å; L89-W145 HydrophobicContact CB-CH2 3.93Å; L89-W145 HydrophobicContact CB-CZ3 4.24Å; L89-W145 HydrophobicContact CD1-CH2 4.19Å; L89-W145 HydrophobicContact CD1-CZ2 4.34Å; L89-W145 HydrophobicContact CD1-CZ3 4.48Å; A92-W145 HydrophobicContact CB-CE3 3.89Å; A92-W145 HydrophobicContact CB-CZ3 4.35Å; E141-W145 VanDerWaalsContact CD-CH2 3.44Å; E141-W145 HydrophobicContact CG-CD2 4.18Å; E141-W145 HydrophobicContact CG-CE3 4.11Å; E141-W145 HydrophobicContact CG-CH2 3.58Å; E141-W145 HydrophobicContact CG-CZ2 3.69Å; E141-W145 HydrophobicContact CG-CZ3 3.81Å; E141-W145 PolarHBondContact O-N 2.83Å; E141-W145 WeakPolarHBondContact OE2-CH2 3.31Å; L142-W145 HydrophobicContact CD2-CE3 4.31Å; L142-W145 HydrophobicContact CD2-CZ3 4.42Å; L142-W145 PolarHBondContact O-N 3.11Å; V143-W145 PolarHBondContact O-N 2.88Å; W145-D147 PolarHBondContact O-N 3.19Å; W145-A148 PolarHBondContact O-N 3.48Å; W145-A148 VanDerWaalsContact O-N 3.13Å; W145-V155 HydrophobicContact CZ2-CG1 4.34Å; W145-V155 PolarHBondContact NE1-O 2.91Å; W145-P157 HydrophobicContact CB-CG 3.77Å; W145-P157 HydrophobicContact CD2-CG 4Å; W145-P157 HydrophobicContact CE3-CG 4.27Å; W145-P157 VanDerWaalsContact CG-CD 3.47Å; W145-P157 HydrophobicContact CG-CG 3.8Å; W145-Y161 HydrophobicContact CB-CD2 4.19Å; W145-Y161 HydrophobicContact CB-CE2 4.43Å; W145-Y161 AromaticContact CD1-CE2 3.87Å; W145-Y161 HydrophobicContact CG-CD2 4.42Å; W145-Y161 WeakPolarHBondContact O-CD2 3.48Å; W145-G162 PolarHBondContact O-N 3.27Å
146F97.7Very high95.7Very high0 Ų063.3 Ų63.30%032%0.318CS..Hα-helixtrans-65.5-26.8178.3-66-21.5000112.6A92 L108 L142 V143 G160 G162 K164 I165 V167A92-F146 HydrophobicContact CB-CE1 3.88Å; A92-F146 HydrophobicContact CB-CZ 4.29Å; L108-F146 HydrophobicContact CD2-CE2 3.66Å; L108-F146 HydrophobicContact CD2-CZ 3.95Å; L142-F146 HydrophobicContact CD2-CZ 4.49Å; L142-F146 WeakPolarHBondContact O-CD2 3.45Å; L142-F146 VanDerWaalsContact O-CG 3.28Å; L142-F146 WeakPolarHBondContact O-CG 3.39Å; L142-F146 PolarHBondContact O-N 2.73Å; V143-F146 PolarHBondContact O-N 2.93Å; F146-G160 VanDerWaalsContact CD1-O 3.32Å; F146-G160 WeakPolarHBondContact CD1-O 3.18Å; F146-G162 CarbonylContact O-C 3.59Å; F146-G162 VanDerWaalsContact O-C 3.32Å; F146-G162 VanDerWaalsContact O-CA 3.28Å; F146-G162 WeakPolarHBondContact O-CA 3.45Å; F146-K164 PolarHBondContact O-N 2.64Å; F146-I165 HydrophobicContact CD1-CD1 4.34Å; F146-I165 HydrophobicContact CD2-CB 4.04Å; F146-I165 HydrophobicContact CE1-CD1 3.86Å; F146-I165 HydrophobicContact CE1-CG1 4.48Å; F146-I165 HydrophobicContact CE2-CB 4.03Å; F146-I165 HydrophobicContact CE2-CD1 4.48Å; F146-I165 HydrophobicContact CE2-CG2 4.5Å; F146-I165 HydrophobicContact CG-CB 4.37Å; F146-I165 HydrophobicContact CZ-CB 4.35Å; F146-I165 HydrophobicContact CZ-CD1 3.94Å; F146-V167 HydrophobicContact CD2-CG2 3.68Å; F146-V167 HydrophobicContact CE2-CG2 3.82Å
147D97Very high95.8Very high20 Ų2061.4 Ų61.411%0.10731%0.306CS..Hα-helixtrans-86.9-10.5175.9-78.3-22.9000114.7V143 D144 W145 R149 K164 R214V143-D147 VanDerWaalsContact O-CB 3.25Å; V143-D147 WeakPolarHBondContact O-CB 3.48Å; V143-D147 PolarHBondContact O-N 3.28Å; D144-D147 PolarHBondContact O-N 2.72Å; W145-D147 PolarHBondContact O-N 3.19Å; D147-R149 VanDerWaalsContact C-N 3.28Å; D147-R149 HydrophobicContact CB-CG 3.74Å; D147-R149 PolarHBondContact O-N 2.88Å; D147-R149 IonicContact OD2-NE 2.94Å; D147-R149 IonicContact OD2-NH2 3.73Å; D147-K164 VanDerWaalsContact CA-NZ 3.25Å; D147-K164 PolarHBondContact O-NZ 2.87Å; D147-K164 WeakPolarHBondContact OD1-CD 3.41Å; D147-K164 IonicContact OD1-NZ 3.86Å; D147-K164 PolarHBondContact OD1-NZ 3.15Å; D147-R214 VanDerWaalsContact CG-NE 3.31Å; D147-R214 VanDerWaalsContact CG-NH2 3.31Å; D147-R214 IonicContact OD1-CZ 3.55Å; D147-R214 IonicContact OD1-NE 2.87Å; D147-R214 PolarHBondContact OD1-NE 3.34Å; D147-R214 VanDerWaalsContact OD1-NE 3.11Å; D147-R214 IonicContact OD1-NH2 3.58Å; D147-R214 PolarHBondContact OD1-NH2 3.12Å; D147-R214 IonicContact OD2-CZ 2.69Å; D147-R214 IonicContact OD2-NE 3.87Å; D147-R214 PolarHBondContact OD2-NE 2.92Å; D147-R214 IonicContact OD2-NH2 2.82Å
148A96.8Very high95.9Very high38 Ų3858.6 Ų58.631%0.31431%0.308SS..THydrogen-bonded Turntrans50.845.3-171.200000112.7D144 W145 D150 Y161D144-A148 PolarHBondContact O-N 3.07Å; W145-A148 PolarHBondContact O-N 3.48Å; W145-A148 VanDerWaalsContact O-N 3.13Å; A148-D150 VanDerWaalsContact C-N 3.27Å; A148-D150 PolarHBondContact O-N 3.13Å; A148-Y161 VanDerWaalsContact CA-OH 3.25Å; A148-Y161 WeakPolarHBondContact CA-OH 3.39Å; A148-Y161 HydrophobicContact CB-CD1 4.09Å; A148-Y161 HydrophobicContact CB-CE1 3.47Å; A148-Y161 VanDerWaalsContact CB-CE1 3.47Å; A148-Y161 HydrophobicContact CB-CE2 4.44Å
149R94.1Very high95.9Very high149 Ų14959.7 Ų59.756%0.56232%0.316SS*.  trans-63.4-31-173.2-67-162.9-171.7165-8.9113.7D144 D147D144-R149 PolarHBondContact O-N 2.9Å; D144-R149 VanDerWaalsContact O-N 3.09Å; D144-R149 WeakPolarHBondContact OD1-CD 3.42Å; D144-R149 IonicContact OD1-CZ 3.68Å; D144-R149 IonicContact OD1-NE 3.99Å; D144-R149 PolarHBondContact OD1-NE 3.07Å; D144-R149 IonicContact OD1-NH1 2.73Å; D144-R149 PolarHBondContact OD1-NH1 3.33Å; D147-R149 VanDerWaalsContact C-N 3.28Å; D147-R149 HydrophobicContact CB-CG 3.74Å; D147-R149 PolarHBondContact O-N 2.88Å; D147-R149 IonicContact OD2-NE 2.94Å; D147-R149 IonicContact OD2-NH2 3.73Å
150D94Very high95.8Very high76 Ų7659.8 Ų59.841%0.40632%0.316SS..SBendtrans-99.6121.7172.3-178.2-3.1000109.6A148 N152 P153 Y161A148-D150 VanDerWaalsContact C-N 3.27Å; A148-D150 PolarHBondContact O-N 3.13Å; D150-N152 PolarHBondContact O-N 3.49Å; D150-N152 PolarHBondContact OD1-N 3.16Å; D150-P153 HydrophobicContact CB-CB 4.26Å; D150-P153 WeakPolarHBondContact O-CD 3.32Å; D150-P153 VanDerWaalsContact OD2-CA 3.27Å; D150-P153 WeakPolarHBondContact OD2-CA 3.39Å; D150-Y161 PolarHBondContact O-OH 3.34Å
151P91.4Very high95.9Very high113 Ų11360.6 Ų60.673%0.73431%0.313SS*.SBendtrans-65.1-20.7174.325.8-33.7000113.5R156P151-R156 PolarHBondContact O-NH2 3.29Å
152N93Very high95.9Very high120 Ų12058.9 Ų58.964%0.64231%0.314SS*.SBendtrans-136.456.4-175.4-163.436.5000115.7D150 R156D150-N152 PolarHBondContact O-N 3.49Å; D150-N152 PolarHBondContact OD1-N 3.16Å; N152-R156 PolarHBondContact OD1-NH2 3.18Å
153P93.5Very high95.8Very high19 Ų1961.9 Ų61.912%0.12333%0.328CS..  trans-69.8146.2178.932.1-40.3000110.8D150 V155 R156 Y161D150-P153 HydrophobicContact CB-CB 4.26Å; D150-P153 WeakPolarHBondContact O-CD 3.32Å; D150-P153 VanDerWaalsContact OD2-CA 3.27Å; D150-P153 WeakPolarHBondContact OD2-CA 3.39Å; P153-V155 WeakPolarHBondContact CB-O 3.48Å; P153-V155 PolarHBondContact O-N 3.43Å; P153-R156 HydrophobicContact CG-CG 3.44Å; P153-R156 VanDerWaalsContact CG-CG 3.44Å; P153-Y161 HydrophobicContact CG-CE2 3.83Å
154H94.1Very high95.7Very high198 Ų19867.3 Ų67.392%0.91735%0.351SS*.SBendtrans-63-29.4175.5-65.6-64.5000113.2
155V96.3Very high95.7Very high77 Ų7764.5 Ų64.547%0.46734%0.336SS..  trans-128.5133.5178.7179.50000108.6L89 W145 P153L89-V155 HydrophobicContact CD1-CG1 3.94Å; L89-V155 HydrophobicContact CD2-CG1 3.94Å; W145-V155 HydrophobicContact CZ2-CG1 4.34Å; W145-V155 PolarHBondContact NE1-O 2.91Å; P153-V155 WeakPolarHBondContact CB-O 3.48Å; P153-V155 PolarHBondContact O-N 3.43Å
156R95.6Very high95.7Very high101 Ų10166.1 Ų66.138%0.38135%0.349SS..  trans-130.4133.7175.5-64.1-179.4-163.4-160.80.2109.5P151 N152 P153 V158 Y161P151-R156 PolarHBondContact O-NH2 3.29Å; N152-R156 PolarHBondContact OD1-NH2 3.18Å; P153-R156 HydrophobicContact CG-CG 3.44Å; P153-R156 VanDerWaalsContact CG-CG 3.44Å; R156-V158 HydrophobicContact CB-CG2 4.28Å; R156-V158 PolarHBondContact O-N 3.25Å; R156-Y161 HydrophobicContact CB-CD2 4.2Å; R156-Y161 HydrophobicContact CB-CG 4.24Å; R156-Y161 HydrophobicContact CG-CD1 4.49Å; R156-Y161 HydrophobicContact CG-CD2 4.06Å; R156-Y161 HydrophobicContact CG-CE2 4.32Å; R156-Y161 HydrophobicContact CG-CG 4.16Å
157P97.4Very high95.8Very high0 Ų066.2 Ų66.20%035%0.35CS..  trans-65.8127.4162.326-32000109.7L89 A92 E93 W145 P159 Y161L89-P157 HydrophobicContact CD1-CB 3.92Å; A92-P157 HydrophobicContact CB-CB 3.54Å; A92-P157 HydrophobicContact CB-CG 3.74Å; E93-P157 HydrophobicContact CG-CB 3.66Å; W145-P157 HydrophobicContact CB-CG 3.77Å; W145-P157 HydrophobicContact CD2-CG 4Å; W145-P157 HydrophobicContact CE3-CG 4.27Å; W145-P157 VanDerWaalsContact CG-CD 3.47Å; W145-P157 HydrophobicContact CG-CG 3.8Å; P157-P159 CarbonylContact C-O 3.57Å; P157-P159 VanDerWaalsContact C-O 3.23Å; P157-P159 CarbonylContact O-C 3.56Å; P157-Y161 HydrophobicContact CG-CD2 4.49Å; P157-Y161 WeakPolarHBondContact O-CB 3.26Å; P157-Y161 PolarHBondContact O-N 3.05Å
158V96.8Very high95.9Very high113 Ų11365.6 Ų65.669%0.68535%0.346SS*.THydrogen-bonded Turntrans-128.5109.3177-176.10000110E93 R156E93-V158 PolarHBondContact OE1-N 3.19Å; R156-V158 HydrophobicContact CB-CG2 4.28Å; R156-V158 PolarHBondContact O-N 3.25Å
159P96.1Very high95.9Very high44 Ų4463.8 Ų63.829%0.28633%0.331SS..THydrogen-bonded Turncis-70.6175.7-7.432.7-36.8000112.2E93 T97 P157E93-P159 WeakPolarHBondContact CA-O 3.35Å; T97-P159 VanDerWaalsContact CA-CG 3.46Å; T97-P159 WeakPolarHBondContact OG1-CD 3.48Å; T97-P159 WeakPolarHBondContact OG1-CG 3.41Å; P157-P159 CarbonylContact C-O 3.57Å; P157-P159 VanDerWaalsContact C-O 3.23Å; P157-P159 CarbonylContact O-C 3.56Å
160G95Very high96.1Very high1 Ų157.6 Ų57.61%0.0131%0.309CS..THydrogen-bonded Turntrans128.7-32.8177.800000113.4F146 G162 E163F146-G160 VanDerWaalsContact CD1-O 3.32Å; F146-G160 WeakPolarHBondContact CD1-O 3.18Å; G160-G162 PolarHBondContact O-N 3.32Å; G160-E163 WeakPolarHBondContact O-CB 3.42Å; G160-E163 PolarHBondContact O-N 3.26Å
161Y97.6Very high96.1Very high48 Ų4854.5 Ų54.519%0.18830%0.295CS..THydrogen-bonded Turntrans-67.3119.2-179.2-161-106.9000112.4W145 A148 D150 P153 R156 P157 E163W145-Y161 HydrophobicContact CB-CD2 4.19Å; W145-Y161 HydrophobicContact CB-CE2 4.43Å; W145-Y161 AromaticContact CD1-CE2 3.87Å; W145-Y161 HydrophobicContact CG-CD2 4.42Å; W145-Y161 WeakPolarHBondContact O-CD2 3.48Å; A148-Y161 VanDerWaalsContact CA-OH 3.25Å; A148-Y161 WeakPolarHBondContact CA-OH 3.39Å; A148-Y161 HydrophobicContact CB-CD1 4.09Å; A148-Y161 HydrophobicContact CB-CE1 3.47Å; A148-Y161 VanDerWaalsContact CB-CE1 3.47Å; A148-Y161 HydrophobicContact CB-CE2 4.44Å; D150-Y161 PolarHBondContact O-OH 3.34Å; P153-Y161 HydrophobicContact CG-CE2 3.83Å; R156-Y161 HydrophobicContact CB-CD2 4.2Å; R156-Y161 HydrophobicContact CB-CG 4.24Å; R156-Y161 HydrophobicContact CG-CD1 4.49Å; R156-Y161 HydrophobicContact CG-CD2 4.06Å; R156-Y161 HydrophobicContact CG-CE2 4.32Å; R156-Y161 HydrophobicContact CG-CG 4.16Å; P157-Y161 HydrophobicContact CG-CD2 4.49Å; P157-Y161 WeakPolarHBondContact O-CB 3.26Å; P157-Y161 PolarHBondContact O-N 3.05Å; Y161-E163 VanDerWaalsContact C-N 3.26Å; Y161-E163 PolarHBondContact O-N 3.07Å
162G96.6Very high96.3Very high31 Ų3151 Ų5132%0.3227%0.273SS..THydrogen-bonded Turntrans73.510-179.400000115.4W145 F146 G160 K164W145-G162 PolarHBondContact O-N 3.27Å; F146-G162 CarbonylContact O-C 3.59Å; F146-G162 VanDerWaalsContact O-C 3.32Å; F146-G162 VanDerWaalsContact O-CA 3.28Å; F146-G162 WeakPolarHBondContact O-CA 3.45Å; G160-G162 PolarHBondContact O-N 3.32Å; G162-K164 PolarHBondContact O-N 3.35Å
163E95.8Very high96.2Very high63 Ų6347.3 Ų47.329%0.29426%0.256SS..  trans-70.4-8.3-177.8-73.4-69.7146.700114.1N99 T100 G160 Y161 I165N99-E163 PolarHBondContact ND2-O 2.69Å; N99-E163 PolarHBondContact ND2-OE2 3.18Å; T100-E163 PolarHBondContact OG1-OE1 3.36Å; G160-E163 WeakPolarHBondContact O-CB 3.42Å; G160-E163 PolarHBondContact O-N 3.26Å; Y161-E163 VanDerWaalsContact C-N 3.26Å; Y161-E163 PolarHBondContact O-N 3.07Å; E163-I165 HydrophobicContact CB-CD1 4.07Å; E163-I165 HydrophobicContact CB-CG1 3.78Å; E163-I165 PolarHBondContact O-N 2.98Å; E163-I165 VanDerWaalsContact O-N 3.08Å
164K96Very high96.4Very high121 Ų12149 Ų4953%0.52626%0.264SS..  trans53.430.3177-60.8-69.1171.5-179.60114.8F146 D147 G162F146-K164 PolarHBondContact O-N 2.64Å; D147-K164 VanDerWaalsContact CA-NZ 3.25Å; D147-K164 PolarHBondContact O-NZ 2.87Å; D147-K164 WeakPolarHBondContact OD1-CD 3.41Å; D147-K164 IonicContact OD1-NZ 3.86Å; D147-K164 PolarHBondContact OD1-NZ 3.15Å; G162-K164 PolarHBondContact O-N 3.35Å
165I98Very high96.4Very high0 Ų042.4 Ų42.40%023%0.232CC..  trans-59.9129.3179.3-54.1179.6000110F95 N99 I106 L108 F146 E163 V167 R214F95-I165 HydrophobicContact CB-CD1 3.94Å; F95-I165 VanDerWaalsContact O-CD1 3.23Å; F95-I165 WeakPolarHBondContact O-CD1 3.16Å; N99-I165 HydrophobicContact CB-CD1 3.75Å; N99-I165 HydrophobicContact CB-CG1 3.86Å; I106-I165 HydrophobicContact CG2-CG2 4.49Å; L108-I165 HydrophobicContact CB-CG2 4.25Å; F146-I165 HydrophobicContact CD1-CD1 4.34Å; F146-I165 HydrophobicContact CD2-CB 4.04Å; F146-I165 HydrophobicContact CE1-CD1 3.86Å; F146-I165 HydrophobicContact CE1-CG1 4.48Å; F146-I165 HydrophobicContact CE2-CB 4.03Å; F146-I165 HydrophobicContact CE2-CD1 4.48Å; F146-I165 HydrophobicContact CE2-CG2 4.5Å; F146-I165 HydrophobicContact CG-CB 4.37Å; F146-I165 HydrophobicContact CZ-CB 4.35Å; F146-I165 HydrophobicContact CZ-CD1 3.94Å; E163-I165 HydrophobicContact CB-CD1 4.07Å; E163-I165 HydrophobicContact CB-CG1 3.78Å; E163-I165 PolarHBondContact O-N 2.98Å; E163-I165 VanDerWaalsContact O-N 3.08Å; I165-V167 PolarHBondContact O-N 3.25Å; I165-R214 PolarHBondContact O-NH1 3.29Å
166P98Very high96.4Very high56 Ų5638.9 Ų38.936%0.36421%0.211SC..  trans-55.8128.3171.5-2634.2000111.9I106 L108I106-P166 WeakPolarHBondContact O-CD 3.34Å; L108-P166 PolarHBondContact N-O 3.22Å
167V98.5Very high96.6Very high3 Ų334.1 Ų34.12%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-113.5127178178.90000109.1L108 L110 V143 F146 I165 L185 P186L108-V167 CarbonylContact O-C 3.59Å; L108-V167 WeakPolarHBondContact O-CA 2.99Å; L110-V167 HydrophobicContact CD1-CG1 3.63Å; L110-V167 HydrophobicContact CG-CG1 4.37Å; V143-V167 HydrophobicContact CG2-CB 4.34Å; V143-V167 HydrophobicContact CG2-CG1 4.35Å; V143-V167 HydrophobicContact CG2-CG2 4.23Å; F146-V167 HydrophobicContact CD2-CG2 3.68Å; F146-V167 HydrophobicContact CE2-CG2 3.82Å; I165-V167 PolarHBondContact O-N 3.25Å; V167-L185 HydrophobicContact CG1-CD1 4.26Å; V167-P186 VanDerWaalsContact O-CD 3.3Å; V167-P186 WeakPolarHBondContact O-CD 3.41Å; V167-P186 WeakPolarHBondContact O-CG 3.37Å
168W98.7Very high96.6Very high7 Ų738.1 Ų38.13%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-114.7141.7177.9-70.877.5000110.6W45 L108 G109 L110 L170 P186 Y219 M221W45-W168 HydrophobicContact CH2-CB 4Å; W45-W168 AromaticContact CH2-CD1 3.94Å; W45-W168 AromaticContact CH2-CD2 3.48Å; W45-W168 HydrophobicContact CH2-CD2 3.48Å; W45-W168 VanDerWaalsContact CH2-CD2 3.48Å; W45-W168 AromaticContact CH2-CE2 3.88Å; W45-W168 AromaticContact CH2-CE3 3.79Å; W45-W168 HydrophobicContact CH2-CE3 3.79Å; W45-W168 AromaticContact CH2-CG 3.56Å; W45-W168 HydrophobicContact CH2-CG 3.56Å; W45-W168 HydrophobicContact CH2-CZ3 4.4Å; W45-W168 AromaticContact CZ2-CD1 3.8Å; W45-W168 AromaticContact CZ2-CD2 3.99Å; W45-W168 HydrophobicContact CZ2-CD2 3.99Å; W45-W168 AromaticContact CZ2-CE2 3.95Å; W45-W168 AromaticContact CZ2-CG 3.92Å; W45-W168 HydrophobicContact CZ2-CG 3.92Å; W45-W168 AromaticContact CZ2-NE1 3.82Å; L108-W168 PolarHBondContact O-N 2.81Å; G109-W168 WeakPolarHBondContact CA-O 3.23Å; L110-W168 PolarHBondContact N-O 3.38Å; W168-L170 HydrophobicContact CB-CD2 4.25Å; W168-P186 HydrophobicContact CD2-CB 3.69Å; W168-P186 HydrophobicContact CD2-CG 3.47Å; W168-P186 VanDerWaalsContact CD2-CG 3.47Å; W168-P186 HydrophobicContact CE3-CB 3.51Å; W168-P186 HydrophobicContact CE3-CG 3.84Å; W168-P186 HydrophobicContact CG-CG 3.83Å; W168-P186 HydrophobicContact CH2-CB 3.77Å; W168-P186 HydrophobicContact CH2-CG 4.42Å; W168-P186 HydrophobicContact CZ2-CB 3.91Å; W168-P186 HydrophobicContact CZ2-CG 4.08Å; W168-P186 HydrophobicContact CZ3-CB 3.57Å; W168-P186 HydrophobicContact CZ3-CG 4.31Å; W168-Y219 AromaticContact CH2-CD1 3.48Å; W168-Y219 HydrophobicContact CH2-CD1 3.48Å; W168-Y219 VanDerWaalsContact CH2-CD1 3.48Å; W168-Y219 AromaticContact CH2-CE1 3.58Å; W168-Y219 HydrophobicContact CH2-CE1 3.58Å; W168-Y219 HydrophobicContact CZ2-CD1 4.43Å; W168-Y219 HydrophobicContact CZ2-CE1 4.46Å; W168-Y219 HydrophobicContact CZ3-CD1 4.04Å; W168-Y219 HydrophobicContact CZ3-CE1 4.39Å; W168-M221 HydrophobicContact CE3-CE 4.16Å; W168-M221 HydrophobicContact CH2-CE 3.53Å; W168-M221 HydrophobicContact CZ2-CE 4.15Å; W168-M221 HydrophobicContact CZ3-CB 3.94Å; W168-M221 HydrophobicContact CZ3-CE 3.53Å
169L98.5Very high96.6Very high0 Ų033.3 Ų33.30%018%0.182CC..EExtended strand (participates in β ladder)trans-101130.8167.8-74.1-175.8000110.4L110 F135 V139 L179 A180 L185 P186 F187 A188L110-L169 HydrophobicContact CB-CD2 4.11Å; F135-L169 HydrophobicContact CE1-CD2 4.17Å; F135-L169 HydrophobicContact CZ-CD2 3.88Å; V139-L169 HydrophobicContact CG1-CD2 4.09Å; V139-L169 HydrophobicContact CG2-CD2 3.87Å; L169-L179 HydrophobicContact CD1-CB 3.85Å; L169-L179 HydrophobicContact CD1-CD2 3.72Å; L169-L179 HydrophobicContact CD1-CG 3.57Å; L169-A180 HydrophobicContact CB-CB 3.98Å; L169-A180 HydrophobicContact CD1-CB 3.97Å; L169-A180 HydrophobicContact CG-CB 4.49Å; L169-L185 HydrophobicContact CD1-CD1 4.47Å; L169-L185 HydrophobicContact CG-CD1 4.41Å; L169-P186 PolarHBondContact N-O 3.24Å; L169-P186 VanDerWaalsContact N-O 3.09Å; L169-F187 WeakPolarHBondContact O-CA 3.44Å; L169-F187 WeakPolarHBondContact O-CD2 3.48Å; L169-A188 PolarHBondContact O-N 2.8Å
170L97.6Very high96.8Very high19 Ų1931.2 Ų31.210%0.09917%0.168CC..EExtended strand (participates in β ladder)trans-115.7141.2-176.6-48.3178.4000109.3W45 G79 G80 L110 W168 S176 A188W45-L170 HydrophobicContact CH2-CD2 4.41Å; W45-L170 HydrophobicContact CZ3-CD2 3.72Å; G79-L170 WeakPolarHBondContact O-CD1 3.14Å; G80-L170 VanDerWaalsContact CA-CD1 3.5Å; L110-L170 PolarHBondContact O-N 3.05Å; W168-L170 HydrophobicContact CB-CD2 4.25Å; L170-S176 VanDerWaalsContact O-CB 3.31Å; L170-S176 WeakPolarHBondContact O-CB 3.47Å; L170-S176 PolarHBondContact O-OG 3.41Å; L170-A188 WeakPolarHBondContact CA-O 3.43Å; L170-A188 HydrophobicContact CD2-CB 3.41Å; L170-A188 VanDerWaalsContact CD2-CB 3.41Å
171G94.6Very high96.9Very high11 Ų1131.2 Ų31.211%0.11317%0.168CC..EExtended strand (participates in β ladder)trans-162.3152.2178.800000114.6A188 F189 A190G171-A188 PolarHBondContact N-O 3.28Å; G171-A188 VanDerWaalsContact N-O 3.13Å; G171-F189 WeakPolarHBondContact O-CA 3.46Å; G171-F189 WeakPolarHBondContact O-CD2 3.44Å; G171-A190 PolarHBondContact O-N 3.36Å
172S93.9Very high96.9Very high39 Ų3934.6 Ų34.627%0.27319%0.185SC..SBendtrans-107.98.5166.851.10000112.1M197S172-M197 WeakPolarHBondContact O-CE 3.27Å
173S92.6Very high97Very high42 Ų4236 Ų3629%0.29419%0.185SC..SBendtrans-139.5173.7179.369.20000110.9Y175S173-Y175 PolarHBondContact O-N 3.43Å
174L96.4Very high97.1Very high54 Ų5433 Ų3328%0.28317%0.171SC..Hα-helixtrans-66.9-21.8-176.8-55-174.2000113.8A177 Q178 M197 Q200 A201 L204L174-A177 WeakPolarHBondContact O-CB 3.16Å; L174-A177 PolarHBondContact O-N 2.69Å; L174-Q178 WeakPolarHBondContact O-CG 3.33Å; L174-Q178 PolarHBondContact O-N 3.01Å; L174-M197 HydrophobicContact CD2-CB 4.17Å; L174-M197 HydrophobicContact CD2-SD 4.28Å; L174-M197 HydrophobicContact CG-SD 3.93Å; L174-Q200 HydrophobicContact CD2-CB 3.76Å; L174-A201 HydrophobicContact CD2-CB 3.94Å; L174-L204 HydrophobicContact CB-CD2 3.81Å; L174-L204 HydrophobicContact CD1-CD2 4.5Å; L174-L204 HydrophobicContact CD2-CD2 4.39Å; L174-L204 HydrophobicContact CG-CD2 4.45Å
175Y95.5Very high97.3Very high60 Ų6027.4 Ų27.424%0.23515%0.147CC..Hα-helixtrans-60.2-54.1-172.8-174.4-76.4000112.5D133 F135 P136 S173 A177 Q178 L179D133-Y175 WeakPolarHBondContact OD2-CE2 3.24Å; D133-Y175 VanDerWaalsContact OD2-CZ 3.31Å; D133-Y175 PolarHBondContact OD2-OH 2.95Å; F135-Y175 AromaticContact CD1-CE1 3.9Å; F135-Y175 HydrophobicContact CD1-CE1 3.9Å; F135-Y175 HydrophobicContact CE1-CE1 4.42Å; P136-Y175 VanDerWaalsContact CD-OH 3.25Å; P136-Y175 WeakPolarHBondContact CD-OH 3.48Å; P136-Y175 HydrophobicContact CG-CE1 4.42Å; P136-Y175 WeakPolarHBondContact CG-OH 3.18Å; S173-Y175 PolarHBondContact O-N 3.43Å; Y175-A177 PolarHBondContact O-N 3.32Å; Y175-Q178 PolarHBondContact O-N 2.82Å; Y175-Q178 VanDerWaalsContact O-N 3.17Å; Y175-L179 HydrophobicContact CE1-CD2 4.31Å; Y175-L179 PolarHBondContact O-N 3.03Å
176S96.3Very high97.3Very high4 Ų428.2 Ų28.23%0.02815%0.152CC..Hα-helixtrans-65.1-29.7-178.8-60.80000111.8L170 A180L170-S176 VanDerWaalsContact O-CB 3.31Å; L170-S176 WeakPolarHBondContact O-CB 3.47Å; L170-S176 PolarHBondContact O-OG 3.41Å; S176-A180 WeakPolarHBondContact O-CB 3.3Å; S176-A180 PolarHBondContact O-N 3.3Å
177A98Very high97.3Very high0 Ų025.5 Ų25.50%014%0.135CC..Hα-helixtrans-64.7-44.6174.400000111.7L174 Y175 A181 F187 A201L174-A177 WeakPolarHBondContact O-CB 3.16Å; L174-A177 PolarHBondContact O-N 2.69Å; Y175-A177 PolarHBondContact O-N 3.32Å; A177-A181 WeakPolarHBondContact O-CB 3.1Å; A177-A181 PolarHBondContact O-N 2.95Å; A177-F187 HydrophobicContact CB-CD1 4.31Å; A177-F187 HydrophobicContact CB-CE1 3.72Å; A177-F187 HydrophobicContact CB-CE2 4.18Å; A177-F187 HydrophobicContact CB-CZ 3.65Å; A177-A201 HydrophobicContact CB-CB 4.04Å; A177-A201 WeakPolarHBondContact CB-O 3.35Å
178Q97.8Very high97.3Very high85 Ų8525.4 Ų25.440%0.39713%0.134SC..Hα-helixtrans-63.2-46.4175.6-67.8176-26.500111.4L174 Y175 A181 Q182 L204L174-Q178 WeakPolarHBondContact O-CG 3.33Å; L174-Q178 PolarHBondContact O-N 3.01Å; Y175-Q178 PolarHBondContact O-N 2.82Å; Y175-Q178 VanDerWaalsContact O-N 3.17Å; Q178-A181 PolarHBondContact O-N 3Å; Q178-Q182 WeakPolarHBondContact O-CB 3.2Å; Q178-Q182 VanDerWaalsContact O-CG 3.29Å; Q178-Q182 WeakPolarHBondContact O-CG 3.37Å; Q178-Q182 PolarHBondContact O-N 3.48Å; Q178-L204 HydrophobicContact CG-CD1 4.28Å; Q178-L204 HydrophobicContact CG-CD2 3.29Å; Q178-L204 HydrophobicContact CG-CG 3.8Å
179L97.9Very high97.3Very high12 Ų1225.1 Ų25.16%0.06313%0.133CC..Hα-helixtrans-65.3-42.6-178.7-175.563.1000111.6F135 P136 V139 L169 Y175 A181 Q182 L183F135-L179 HydrophobicContact CD1-CD2 3.83Å; F135-L179 HydrophobicContact CE1-CD2 3.7Å; P136-L179 HydrophobicContact CB-CD1 3.83Å; P136-L179 HydrophobicContact CB-CD2 4.27Å; P136-L179 HydrophobicContact CG-CD1 4.33Å; P136-L179 HydrophobicContact CG-CD2 4.32Å; V139-L179 HydrophobicContact CG2-CD2 4.43Å; L169-L179 HydrophobicContact CD1-CB 3.85Å; L169-L179 HydrophobicContact CD1-CD2 3.72Å; L169-L179 HydrophobicContact CD1-CG 3.57Å; Y175-L179 HydrophobicContact CE1-CD2 4.31Å; Y175-L179 PolarHBondContact O-N 3.03Å; L179-A181 VanDerWaalsContact C-N 3.32Å; L179-A181 PolarHBondContact O-N 2.7Å; L179-Q182 PolarHBondContact O-N 3.45Å; L179-L183 HydrophobicContact CD1-CD1 3.8Å; L179-L183 HydrophobicContact CD1-CG 4.03Å; L179-L183 HydrophobicContact CG-CD1 3.92Å; L179-L183 HydrophobicContact CG-CG 4.42Å; L179-L183 WeakPolarHBondContact O-CB 3.42Å; L179-L183 WeakPolarHBondContact O-CG 3.3Å; L179-L183 PolarHBondContact O-N 3.16Å
180A98.6Very high97.3Very high0 Ų025.8 Ų25.80%014%0.139CC..Hα-helixtrans-60.6-43176.100000111.9L169 S176 G184 L185 F187 Y205L169-A180 HydrophobicContact CB-CB 3.98Å; L169-A180 HydrophobicContact CD1-CB 3.97Å; L169-A180 HydrophobicContact CG-CB 4.49Å; S176-A180 WeakPolarHBondContact O-CB 3.3Å; S176-A180 PolarHBondContact O-N 3.3Å; A180-G184 PolarHBondContact O-N 2.75Å; A180-L185 PolarHBondContact O-N 2.96Å; A180-F187 HydrophobicContact CB-CB 3.89Å; A180-F187 HydrophobicContact CB-CD2 4.14Å; A180-F187 HydrophobicContact CB-CG 4.29Å; A180-Y205 HydrophobicContact CB-CD2 3.91Å; A180-Y205 HydrophobicContact CB-CE2 3.79Å
181A98.6Very high97.3Very high0 Ų024.9 Ų24.90%013%0.134CC..Hα-helixtrans-62.3-43.9175.700000112.2A177 Q178 L179 G184 Y205 N208 K210A177-A181 WeakPolarHBondContact O-CB 3.1Å; A177-A181 PolarHBondContact O-N 2.95Å; Q178-A181 PolarHBondContact O-N 3Å; L179-A181 VanDerWaalsContact C-N 3.32Å; L179-A181 PolarHBondContact O-N 2.7Å; A181-G184 PolarHBondContact O-N 3.22Å; A181-Y205 HydrophobicContact CB-CD2 3.99Å; A181-Y205 WeakPolarHBondContact CB-O 3.44Å; A181-N208 HydrophobicContact CB-CB 4.12Å; A181-K210 PolarHBondContact O-N 3.18Å
182Q98.1Very high97.5Very high120 Ų12025.1 Ų25.156%0.56113%0.132SC*.Hα-helixtrans-68.1-38.6-179-74.3177.7700113.2Q178 L179Q178-Q182 WeakPolarHBondContact O-CB 3.2Å; Q178-Q182 VanDerWaalsContact O-CG 3.29Å; Q178-Q182 WeakPolarHBondContact O-CG 3.37Å; Q178-Q182 PolarHBondContact O-N 3.48Å; L179-Q182 PolarHBondContact O-N 3.45Å
183L97.8Very high97.6Very high61 Ų6127.7 Ų27.732%0.31914%0.139SC..Hα-helixtrans-85-9.5-180-63.5179000113.3V139 L179 L185 S212V139-L183 HydrophobicContact CB-CD1 4.43Å; V139-L183 HydrophobicContact CG1-CD1 3.62Å; L179-L183 HydrophobicContact CD1-CD1 3.8Å; L179-L183 HydrophobicContact CD1-CG 4.03Å; L179-L183 HydrophobicContact CG-CD1 3.92Å; L179-L183 HydrophobicContact CG-CG 4.42Å; L179-L183 WeakPolarHBondContact O-CB 3.42Å; L179-L183 WeakPolarHBondContact O-CG 3.3Å; L179-L183 PolarHBondContact O-N 3.16Å; L183-L185 HydrophobicContact CB-CD1 3.91Å; L183-L185 HydrophobicContact CB-CG 3.9Å; L183-L185 HydrophobicContact CD1-CD1 3.96Å; L183-S212 WeakPolarHBondContact O-CB 3.42Å
184G98.4Very high97.7Very high0 Ų026.8 Ų26.80%013%0.134CC..THydrogen-bonded Turntrans61.550.1-173.700000111.9A180 A181 K210 S212 L215A180-G184 PolarHBondContact O-N 2.75Å; A181-G184 PolarHBondContact O-N 3.22Å; G184-K210 WeakPolarHBondContact CA-O 3.36Å; G184-S212 PolarHBondContact O-OG 2.97Å; G184-L215 WeakPolarHBondContact O-CB 3.48Å
185L98.6Very high97.8Very high3 Ų324.8 Ų24.82%0.01612%0.124CC..  trans-115.1153.5178.9-67.6177.3000110.5V139 V143 V167 L169 A180 L183 Y205 R214V139-L185 HydrophobicContact CG1-CD1 4.12Å; V143-L185 HydrophobicContact CG2-CD1 4.22Å; V143-L185 HydrophobicContact CG2-CD2 4.46Å; V167-L185 HydrophobicContact CG1-CD1 4.26Å; L169-L185 HydrophobicContact CD1-CD1 4.47Å; L169-L185 HydrophobicContact CG-CD1 4.41Å; A180-L185 PolarHBondContact O-N 2.96Å; L183-L185 HydrophobicContact CB-CD1 3.91Å; L183-L185 HydrophobicContact CB-CG 3.9Å; L183-L185 HydrophobicContact CD1-CD1 3.96Å; L185-Y205 WeakPolarHBondContact O-CE2 3.31Å; L185-Y205 PolarHBondContact O-OH 3.13Å; L185-Y205 VanDerWaalsContact O-OH 3.06Å; L185-R214 HydrophobicContact CD2-CB 4.5Å
186P98.6Very high97.9Very high16 Ų1627.1 Ų27.110%0.10414%0.14CC..  trans-66.9148.3174.932.7-38.8000111.5V167 W168 L169 L215V167-P186 VanDerWaalsContact O-CD 3.3Å; V167-P186 WeakPolarHBondContact O-CD 3.41Å; V167-P186 WeakPolarHBondContact O-CG 3.37Å; W168-P186 HydrophobicContact CD2-CB 3.69Å; W168-P186 HydrophobicContact CD2-CG 3.47Å; W168-P186 VanDerWaalsContact CD2-CG 3.47Å; W168-P186 HydrophobicContact CE3-CB 3.51Å; W168-P186 HydrophobicContact CE3-CG 3.84Å; W168-P186 HydrophobicContact CG-CG 3.83Å; W168-P186 HydrophobicContact CH2-CB 3.77Å; W168-P186 HydrophobicContact CH2-CG 4.42Å; W168-P186 HydrophobicContact CZ2-CB 3.91Å; W168-P186 HydrophobicContact CZ2-CG 4.08Å; W168-P186 HydrophobicContact CZ3-CB 3.57Å; W168-P186 HydrophobicContact CZ3-CG 4.31Å; L169-P186 PolarHBondContact N-O 3.24Å; L169-P186 VanDerWaalsContact N-O 3.09Å; P186-L215 HydrophobicContact CB-CD2 4.04Å
187F98.8Very high98Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-124.2133.5-172.3178.8-123.5000111.4L169 A177 A180 F189 A201 Y205 Y219 A220 M221L169-F187 WeakPolarHBondContact O-CA 3.44Å; L169-F187 WeakPolarHBondContact O-CD2 3.48Å; A177-F187 HydrophobicContact CB-CD1 4.31Å; A177-F187 HydrophobicContact CB-CE1 3.72Å; A177-F187 HydrophobicContact CB-CE2 4.18Å; A177-F187 HydrophobicContact CB-CZ 3.65Å; A180-F187 HydrophobicContact CB-CB 3.89Å; A180-F187 HydrophobicContact CB-CD2 4.14Å; A180-F187 HydrophobicContact CB-CG 4.29Å; F187-F189 HydrophobicContact CE1-CB 4.01Å; F187-F189 AromaticContact CE1-CD2 3.93Å; F187-F189 HydrophobicContact CE1-CD2 3.93Å; F187-F189 HydrophobicContact CE1-CG 4.48Å; F187-F189 HydrophobicContact CZ-CB 4.21Å; F187-F189 AromaticContact CZ-CD2 3.71Å; F187-F189 HydrophobicContact CZ-CD2 3.71Å; F187-F189 HydrophobicContact CZ-CG 4.45Å; F187-A201 HydrophobicContact CE1-CB 4.19Å; F187-A201 HydrophobicContact CZ-CB 4.41Å; F187-Y205 HydrophobicContact CB-CD1 4.07Å; F187-Y205 HydrophobicContact CB-CD2 3.82Å; F187-Y205 HydrophobicContact CB-CE1 3.9Å; F187-Y205 HydrophobicContact CB-CE2 3.67Å; F187-Y205 HydrophobicContact CB-CG 4.01Å; F187-Y205 HydrophobicContact CD1-CD1 4.21Å; F187-Y205 HydrophobicContact CD1-CG 4.03Å; F187-Y205 HydrophobicContact CG-CD2 4.32Å; F187-Y205 HydrophobicContact CG-CG 4.29Å; F187-Y219 PolarHBondContact N-O 2.68Å; F187-Y219 VanDerWaalsContact N-O 3.1Å; F187-A220 CarbonylContact O-C 3.32Å; F187-A220 WeakPolarHBondContact O-CA 3.05Å; F187-M221 PolarHBondContact O-N 3.44Å
188A98.7Very high98Very high1 Ų130 Ų301%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-119.4130.1168.300000112.1W45 L169 L170 G171 M221W45-A188 HydrophobicContact CZ3-CB 4.42Å; L169-A188 PolarHBondContact O-N 2.8Å; L170-A188 WeakPolarHBondContact CA-O 3.43Å; L170-A188 HydrophobicContact CD2-CB 3.41Å; L170-A188 VanDerWaalsContact CD2-CB 3.41Å; G171-A188 PolarHBondContact N-O 3.28Å; G171-A188 VanDerWaalsContact N-O 3.13Å; A188-M221 CarbonylContact C-O 3.42Å; A188-M221 VanDerWaalsContact CA-O 3.26Å; A188-M221 WeakPolarHBondContact CA-O 3.49Å; A188-M221 HydrophobicContact CB-CB 3.74Å; A188-M221 HydrophobicContact CB-CG 4.13Å; A188-M221 HydrophobicContact CB-SD 3.9Å
189F98.6Very high98Very high0 Ų030.8 Ų30.80%016%0.157CC..EExtended strand (participates in β ladder)trans-99.3129178.7-164-86.6000111.9G171 F187 S191 A194 M197 L198 A201 M221 C223G171-F189 WeakPolarHBondContact O-CA 3.46Å; G171-F189 WeakPolarHBondContact O-CD2 3.44Å; F187-F189 HydrophobicContact CE1-CB 4.01Å; F187-F189 AromaticContact CE1-CD2 3.93Å; F187-F189 HydrophobicContact CE1-CD2 3.93Å; F187-F189 HydrophobicContact CE1-CG 4.48Å; F187-F189 HydrophobicContact CZ-CB 4.21Å; F187-F189 AromaticContact CZ-CD2 3.71Å; F187-F189 HydrophobicContact CZ-CD2 3.71Å; F187-F189 HydrophobicContact CZ-CG 4.45Å; F189-S191 VanDerWaalsContact C-N 3.27Å; F189-S191 PolarHBondContact O-N 2.89Å; F189-A194 VanDerWaalsContact CE1-O 3.27Å; F189-A194 WeakPolarHBondContact CE1-O 3.3Å; F189-M197 HydrophobicContact CE2-CB 4.4Å; F189-M197 HydrophobicContact CZ-CB 3.97Å; F189-L198 HydrophobicContact CB-CD1 3.87Å; F189-L198 HydrophobicContact CD1-CB 3.92Å; F189-L198 HydrophobicContact CD1-CD1 3.46Å; F189-L198 VanDerWaalsContact CD1-CD1 3.46Å; F189-L198 HydrophobicContact CD1-CG 4.29Å; F189-L198 VanDerWaalsContact CE1-CA 3.45Å; F189-L198 HydrophobicContact CE1-CB 3.79Å; F189-L198 HydrophobicContact CE1-CD1 4.23Å; F189-L198 HydrophobicContact CG-CD1 3.78Å; F189-A201 HydrophobicContact CD2-CB 3.34Å; F189-A201 HydrophobicContact CE2-CB 3.29Å; F189-A201 HydrophobicContact CG-CB 4.44Å; F189-A201 HydrophobicContact CZ-CB 4.33Å; F189-M221 PolarHBondContact N-O 2.76Å; F189-C223 VanDerWaalsContact O-CB 3.28Å; F189-C223 WeakPolarHBondContact O-CB 3.25Å; F189-C223 PolarHBondContact O-N 2.73Å; F189-C223 PolarHBondContact O-SG 3.07Å
190A97.9Very high98Very high15 Ų1535.6 Ų35.612%0.12418%0.179CC..  trans-84.852.7-17500000113.6G171 H192 F193 A194G171-A190 PolarHBondContact O-N 3.36Å; A190-H192 PolarHBondContact O-N 2.93Å; A190-F193 HydrophobicContact CB-CD1 4.27Å; A190-F193 HydrophobicContact CB-CE1 3.57Å; A190-F193 HydrophobicContact CB-CZ 4.01Å; A190-F193 PolarHBondContact O-N 3.5Å; A190-A194 PolarHBondContact O-N 3.35Å
191S98.1Very high98Very high0 Ų035.6 Ų35.60%018%0.179CC..THydrogen-bonded Turntrans-66.9-16.8-177.635.70000114.9F189 F193 V222 C223F189-S191 VanDerWaalsContact C-N 3.27Å; F189-S191 PolarHBondContact O-N 2.89Å; S191-F193 PolarHBondContact O-N 2.98Å; S191-F193 VanDerWaalsContact O-N 3.16Å; S191-V222 WeakPolarHBondContact OG-CG1 3.38Å; S191-C223 CarbonylContact C-O 3.51Å; S191-C223 PolarHBondContact N-O 3.22Å; S191-C223 PolarHBondContact OG-O 3.35Å
192H97.7Very high98Very high15 Ų1535.8 Ų35.87%0.06918%0.18CC..THydrogen-bonded Turntrans-63.9-14.5178.168.7-84.7000114.3L11 A190 C223 N225 N310L11-H192 VanDerWaalsContact CD2-CE1 3.42Å; L11-H192 WeakPolarHBondContact CD2-CE1 3.01Å; L11-H192 WeakPolarHBondContact CD2-NE2 3.27Å; A190-H192 PolarHBondContact O-N 2.93Å; H192-C223 PolarHBondContact N-O 3.36Å; H192-C223 VanDerWaalsContact ND1-CB 3.3Å; H192-C223 WeakPolarHBondContact ND1-CB 3.29Å; H192-N225 PolarHBondContact O-ND2 2.64Å; H192-N310 PolarHBondContact CD2-ND2 2.77Å; H192-N310 VanDerWaalsContact CD2-ND2 3.29Å; H192-N310 PolarHBondContact NE2-ND2 3.4Å
193F96.2Very high98.1Very high93 Ų9336.1 Ų36.141%0.40818%0.181SC..THydrogen-bonded Turntrans-135.3-15169.972.2-97.4000114.5A190 S191 F246 A279A190-F193 HydrophobicContact CB-CD1 4.27Å; A190-F193 HydrophobicContact CB-CE1 3.57Å; A190-F193 HydrophobicContact CB-CZ 4.01Å; A190-F193 PolarHBondContact O-N 3.5Å; S191-F193 PolarHBondContact O-N 2.98Å; S191-F193 VanDerWaalsContact O-N 3.16Å; F193-F246 HydrophobicContact CB-CE1 3.95Å; F193-F246 HydrophobicContact CB-CZ 3.62Å; F193-A279 CarbonylContact C-O 3.48Å; F193-A279 VanDerWaalsContact C-O 3.28Å; F193-A279 WeakPolarHBondContact CA-O 3.32Å
194A96.1Very high98.1Very high24 Ų2435 Ų3520%0.19818%0.175CC..  trans-141.272.5-177.300000111.1F189 A190F189-A194 VanDerWaalsContact CE1-O 3.27Å; F189-A194 WeakPolarHBondContact CE1-O 3.3Å; A190-A194 PolarHBondContact O-N 3.35Å
195P97.7Very high98.1Very high11 Ų1135 Ų357%0.07118%0.175CC..  trans-80-17.8-171.430-33.6000114.5M197 L198 Q278 A279 S281 M282P195-M197 PolarHBondContact O-N 2.98Å; P195-L198 VanDerWaalsContact O-CB 3.23Å; P195-L198 WeakPolarHBondContact O-CB 3.22Å; P195-L198 PolarHBondContact O-N 2.8Å; P195-Q278 WeakPolarHBondContact CG-O 3.41Å; P195-A279 WeakPolarHBondContact CD-O 3.28Å; P195-S281 WeakPolarHBondContact CG-OG 3.34Å; P195-M282 HydrophobicContact CB-CB 4.34Å; P195-M282 HydrophobicContact CB-CG 3.48Å; P195-M282 VanDerWaalsContact CB-CG 3.48Å; P195-M282 HydrophobicContact CG-CG 4.49Å
196D97.3Very high98.1Very high109 Ų10938 Ų3858%0.58319%0.186SC*.THydrogen-bonded Turntrans-51.9-35.8-167.4-66.8-24.6000114.5Q278D196-Q278 PolarHBondContact OD1-NE2 3.45Å; D196-Q278 PolarHBondContact OD2-NE2 3.37Å
197M97.7Very high98.1Very high64 Ų6440.9 Ų40.932%0.31521%0.207SC..THydrogen-bonded Turntrans-102.76.8-177.5-72.5-174.4-83.400114.1S172 L174 F189 P195 F199 Q200 A201S172-M197 WeakPolarHBondContact O-CE 3.27Å; L174-M197 HydrophobicContact CD2-CB 4.17Å; L174-M197 HydrophobicContact CD2-SD 4.28Å; L174-M197 HydrophobicContact CG-SD 3.93Å; F189-M197 HydrophobicContact CE2-CB 4.4Å; F189-M197 HydrophobicContact CZ-CB 3.97Å; P195-M197 PolarHBondContact O-N 2.98Å; M197-F199 PolarHBondContact O-N 3.3Å; M197-Q200 PolarHBondContact O-N 3.13Å; M197-A201 VanDerWaalsContact O-CB 3.3Å; M197-A201 WeakPolarHBondContact O-CB 3.43Å; M197-A201 PolarHBondContact O-N 2.89Å
198L98.6Very high98.1Very high1 Ų145 Ų451%0.00523%0.229CC..Hα-helixtrans-51.5-58.3-172.7171.661.6000112.6F189 P195 Q200 A201 L202 V222 M282 T302F189-L198 HydrophobicContact CB-CD1 3.87Å; F189-L198 HydrophobicContact CD1-CB 3.92Å; F189-L198 HydrophobicContact CD1-CD1 3.46Å; F189-L198 VanDerWaalsContact CD1-CD1 3.46Å; F189-L198 HydrophobicContact CD1-CG 4.29Å; F189-L198 VanDerWaalsContact CE1-CA 3.45Å; F189-L198 HydrophobicContact CE1-CB 3.79Å; F189-L198 HydrophobicContact CE1-CD1 4.23Å; F189-L198 HydrophobicContact CG-CD1 3.78Å; P195-L198 VanDerWaalsContact O-CB 3.23Å; P195-L198 WeakPolarHBondContact O-CB 3.22Å; P195-L198 PolarHBondContact O-N 2.8Å; L198-Q200 VanDerWaalsContact C-N 3.35Å; L198-Q200 PolarHBondContact O-N 2.79Å; L198-A201 PolarHBondContact O-N 3.01Å; L198-L202 HydrophobicContact CD1-CD1 3.77Å; L198-L202 HydrophobicContact CD1-CG 4.05Å; L198-L202 HydrophobicContact CG-CD1 4.17Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 2.89Å; L198-V222 HydrophobicContact CD1-CG1 3.97Å; L198-V222 HydrophobicContact CD1-CG2 4.16Å; L198-V222 HydrophobicContact CD2-CG1 4.22Å; L198-M282 HydrophobicContact CD2-CE 3.59Å; L198-M282 HydrophobicContact CD2-CG 4.38Å; L198-M282 HydrophobicContact CD2-SD 4.11Å; L198-T302 HydrophobicContact CD2-CG2 3.95Å
199F98.4Very high98.1Very high101 Ų10146.3 Ų46.344%0.44323%0.234SC..Hα-helixtrans-66.3-38.2-175.1-61.8-71000112.5M197 H203 E301 T302M197-F199 PolarHBondContact O-N 3.3Å; F199-H203 VanDerWaalsContact O-CB 3.32Å; F199-H203 WeakPolarHBondContact O-CB 3.3Å; F199-H203 PolarHBondContact O-N 2.85Å; F199-E301 HydrophobicContact CE1-CB 3.9Å; F199-E301 HydrophobicContact CZ-CB 4.24Å; F199-T302 HydrophobicContact CE1-CG2 3.91Å
200Q98.4Very high98.1Very high114 Ų11452.5 Ų52.553%0.53326%0.261SS..Hα-helixtrans-64.5-43.5176.7-66.3172.9-6.900110.9L174 M197 L198 H203 L204L174-Q200 HydrophobicContact CD2-CB 3.76Å; M197-Q200 PolarHBondContact O-N 3.13Å; L198-Q200 VanDerWaalsContact C-N 3.35Å; L198-Q200 PolarHBondContact O-N 2.79Å; Q200-H203 PolarHBondContact O-N 3.39Å; Q200-L204 WeakPolarHBondContact O-CB 3.28Å; Q200-L204 PolarHBondContact O-N 3.48Å
201A98.7Very high98.1Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-65.6-44.6178.400000112L174 A177 F187 F189 M197 L198 L204 Y205L174-A201 HydrophobicContact CD2-CB 3.94Å; A177-A201 HydrophobicContact CB-CB 4.04Å; A177-A201 WeakPolarHBondContact CB-O 3.35Å; F187-A201 HydrophobicContact CE1-CB 4.19Å; F187-A201 HydrophobicContact CZ-CB 4.41Å; F189-A201 HydrophobicContact CD2-CB 3.34Å; F189-A201 HydrophobicContact CE2-CB 3.29Å; F189-A201 HydrophobicContact CG-CB 4.44Å; F189-A201 HydrophobicContact CZ-CB 4.33Å; M197-A201 VanDerWaalsContact O-CB 3.3Å; M197-A201 WeakPolarHBondContact O-CB 3.43Å; M197-A201 PolarHBondContact O-N 2.89Å; L198-A201 PolarHBondContact O-N 3.01Å; A201-L204 PolarHBondContact O-N 3.33Å; A201-Y205 VanDerWaalsContact O-CB 3.31Å; A201-Y205 WeakPolarHBondContact O-CB 3.4Å; A201-Y205 PolarHBondContact O-N 3.31Å
202L98.8Very high98.1Very high3 Ų358 Ų582%0.01630%0.297CS..Hα-helixtrans-61.7-45.5176.2-70.4177.2000111.9L198 Y205 R206 A220 V222 T302L198-L202 HydrophobicContact CD1-CD1 3.77Å; L198-L202 HydrophobicContact CD1-CG 4.05Å; L198-L202 HydrophobicContact CG-CD1 4.17Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 2.89Å; L202-Y205 PolarHBondContact O-N 3.48Å; L202-R206 WeakPolarHBondContact O-CB 3.35Å; L202-R206 WeakPolarHBondContact O-CG 3.27Å; L202-R206 PolarHBondContact O-N 3.45Å; L202-A220 HydrophobicContact CD2-CB 3.75Å; L202-V222 HydrophobicContact CD1-CG2 4.04Å; L202-V222 HydrophobicContact CD2-CG2 4.26Å; L202-T302 HydrophobicContact CD1-CG2 4.13Å
203H98.4Very high97.9Very high128 Ų12862.4 Ų62.459%0.59334%0.336SS*.Hα-helixtrans-60.5-49.9176.7178.468000111.2F199 Q200 Y205 R206 S207F199-H203 VanDerWaalsContact O-CB 3.32Å; F199-H203 WeakPolarHBondContact O-CB 3.3Å; F199-H203 PolarHBondContact O-N 2.85Å; Q200-H203 PolarHBondContact O-N 3.39Å; H203-Y205 VanDerWaalsContact C-N 3.34Å; H203-Y205 PolarHBondContact O-N 3.07Å; H203-R206 PolarHBondContact O-N 2.84Å; H203-S207 PolarHBondContact CE1-OG 2.76Å; H203-S207 VanDerWaalsContact CE1-OG 3.28Å; H203-S207 VanDerWaalsContact O-CB 3.29Å; H203-S207 WeakPolarHBondContact O-CB 3.42Å; H203-S207 PolarHBondContact O-N 2.49Å; H203-S207 PolarHBondContact O-OG 2.75Å
204L98.4Very high97.9Very high36 Ų3661 Ų6119%0.18833%0.328CS..Hα-helixtrans-60.4-42.6179.9-173.670.9000112.3L174 Q178 Q200 A201 N208L174-L204 HydrophobicContact CB-CD2 3.81Å; L174-L204 HydrophobicContact CD1-CD2 4.5Å; L174-L204 HydrophobicContact CD2-CD2 4.39Å; L174-L204 HydrophobicContact CG-CD2 4.45Å; Q178-L204 HydrophobicContact CG-CD1 4.28Å; Q178-L204 HydrophobicContact CG-CD2 3.29Å; Q178-L204 HydrophobicContact CG-CG 3.8Å; Q200-L204 WeakPolarHBondContact O-CB 3.28Å; Q200-L204 PolarHBondContact O-N 3.48Å; A201-L204 PolarHBondContact O-N 3.33Å; L204-N208 WeakPolarHBondContact O-CB 3.49Å; L204-N208 PolarHBondContact O-N 2.77Å; L204-N208 PolarHBondContact O-ND2 3.4Å
205Y98.8Very high98Very high0 Ų061.6 Ų61.60%033%0.328CS..Hα-helixtrans-60.4-53175.9169.6-117.4000111.2A180 A181 L185 F187 A201 L202 H203 F209 P218 Y219 A220A180-Y205 HydrophobicContact CB-CD2 3.91Å; A180-Y205 HydrophobicContact CB-CE2 3.79Å; A181-Y205 HydrophobicContact CB-CD2 3.99Å; A181-Y205 WeakPolarHBondContact CB-O 3.44Å; L185-Y205 WeakPolarHBondContact O-CE2 3.31Å; L185-Y205 PolarHBondContact O-OH 3.13Å; L185-Y205 VanDerWaalsContact O-OH 3.06Å; F187-Y205 HydrophobicContact CB-CD1 4.07Å; F187-Y205 HydrophobicContact CB-CD2 3.82Å; F187-Y205 HydrophobicContact CB-CE1 3.9Å; F187-Y205 HydrophobicContact CB-CE2 3.67Å; F187-Y205 HydrophobicContact CB-CG 4.01Å; F187-Y205 HydrophobicContact CD1-CD1 4.21Å; F187-Y205 HydrophobicContact CD1-CG 4.03Å; F187-Y205 HydrophobicContact CG-CD2 4.32Å; F187-Y205 HydrophobicContact CG-CG 4.29Å; A201-Y205 VanDerWaalsContact O-CB 3.31Å; A201-Y205 WeakPolarHBondContact O-CB 3.4Å; A201-Y205 PolarHBondContact O-N 3.31Å; L202-Y205 PolarHBondContact O-N 3.48Å; H203-Y205 VanDerWaalsContact C-N 3.34Å; H203-Y205 PolarHBondContact O-N 3.07Å; Y205-F209 HydrophobicContact CD2-CD2 4.3Å; Y205-F209 AromaticContact CE2-CD2 3.54Å; Y205-F209 HydrophobicContact CE2-CD2 3.54Å; Y205-F209 AromaticContact CE2-CE2 3.89Å; Y205-F209 HydrophobicContact CE2-CE2 3.89Å; Y205-F209 AromaticContact CZ-CD2 3.79Å; Y205-F209 AromaticContact CZ-CE2 3.95Å; Y205-F209 WeakPolarHBondContact O-CB 3.25Å; Y205-F209 PolarHBondContact O-N 2.88Å; Y205-F209 VanDerWaalsContact O-N 3.1Å; Y205-P218 HydrophobicContact CD1-CB 4.22Å; Y205-P218 HydrophobicContact CE1-CB 3.62Å; Y205-Y219 WeakPolarHBondContact CE1-O 3.3Å; Y205-Y219 PolarHBondContact OH-N 2.8Å; Y205-Y219 PolarHBondContact OH-O 2.98Å; Y205-A220 HydrophobicContact CD1-CB 4.09Å; Y205-A220 HydrophobicContact CE1-CB 3.93Å
206R98.6Very high98Very high67 Ų6767.9 Ų67.925%0.25336%0.356SS..Hα-helixtrans-67.5-43.5-176.3-69.5175.4-178.8137.72.4112.7L202 H203 N208 P218 T302 D303L202-R206 WeakPolarHBondContact O-CB 3.35Å; L202-R206 WeakPolarHBondContact O-CG 3.27Å; L202-R206 PolarHBondContact O-N 3.45Å; H203-R206 PolarHBondContact O-N 2.84Å; R206-N208 VanDerWaalsContact C-N 3.3Å; R206-N208 PolarHBondContact O-N 2.96Å; R206-P218 HydrophobicContact CG-CB 4.19Å; R206-P218 HydrophobicContact CG-CG 4.35Å; R206-T302 VanDerWaalsContact CZ-O 3.22Å; R206-T302 PolarHBondContact NH1-O 3.43Å; R206-T302 PolarHBondContact NH2-O 3.49Å; R206-D303 VanDerWaalsContact NH2-C 3.28Å; R206-D303 PolarHBondContact NH2-O 3.49Å
207S98.3Very high98.1Very high76 Ų7669.3 Ų69.353%0.53136%0.357SS..Hα-helixtrans-72.4-20.4-176.6-66.20000114H203H203-S207 PolarHBondContact CE1-OG 2.76Å; H203-S207 VanDerWaalsContact CE1-OG 3.28Å; H203-S207 VanDerWaalsContact O-CB 3.29Å; H203-S207 WeakPolarHBondContact O-CB 3.42Å; H203-S207 PolarHBondContact O-N 2.49Å; H203-S207 PolarHBondContact O-OG 2.75Å
208N98.5Very high98.1Very high88 Ų8868.4 Ų68.447%0.47136%0.356SS..THydrogen-bonded Turntrans-112.35.9179.6-62.5-81.1000113.3A181 L204 R206 K210A181-N208 HydrophobicContact CB-CB 4.12Å; L204-N208 WeakPolarHBondContact O-CB 3.49Å; L204-N208 PolarHBondContact O-N 2.77Å; L204-N208 PolarHBondContact O-ND2 3.4Å; R206-N208 VanDerWaalsContact C-N 3.3Å; R206-N208 PolarHBondContact O-N 2.96Å; N208-K210 PolarHBondContact O-N 3.25Å
209F98.7Very high98.1Very high27 Ų2771.4 Ų71.412%0.11837%0.368CS..  trans-61.6127.6-174.9-172.1-93.8000111.4Y205 L215 P218Y205-F209 HydrophobicContact CD2-CD2 4.3Å; Y205-F209 AromaticContact CE2-CD2 3.54Å; Y205-F209 HydrophobicContact CE2-CD2 3.54Å; Y205-F209 AromaticContact CE2-CE2 3.89Å; Y205-F209 HydrophobicContact CE2-CE2 3.89Å; Y205-F209 AromaticContact CZ-CD2 3.79Å; Y205-F209 AromaticContact CZ-CE2 3.95Å; Y205-F209 WeakPolarHBondContact O-CB 3.25Å; Y205-F209 PolarHBondContact O-N 2.88Å; Y205-F209 VanDerWaalsContact O-N 3.1Å; F209-L215 HydrophobicContact CE2-CD2 3.95Å; F209-L215 HydrophobicContact CZ-CB 4.15Å; F209-L215 HydrophobicContact CZ-CD2 3.74Å; F209-L215 HydrophobicContact CZ-CG 3.89Å; F209-P218 HydrophobicContact CB-CB 3.98Å; F209-P218 HydrophobicContact CB-CG 4.25Å; F209-P218 HydrophobicContact CD1-CB 4.29Å; F209-P218 HydrophobicContact CD1-CG 4.44Å; F209-P218 HydrophobicContact CD2-CB 3.8Å; F209-P218 HydrophobicContact CE2-CB 4.36Å; F209-P218 HydrophobicContact CG-CB 3.75Å; F209-P218 HydrophobicContact CG-CG 4.23Å
210K98.5Very high98.1Very high130 Ų13066.6 Ų66.657%0.56535%0.346SS*.  trans-107.2117.1173.7-64.8-175.6-178.4179.20108.7A181 G184 N208 S212A181-K210 PolarHBondContact O-N 3.18Å; G184-K210 WeakPolarHBondContact CA-O 3.36Å; N208-K210 PolarHBondContact O-N 3.25Å; K210-S212 PolarHBondContact O-N 3.29Å
211P98.3Very high98.1Very high95 Ų9561.2 Ų61.262%0.61732%0.321SS*.  trans-52.8139.9173.9-26.434.8000111.8E216P211-E216 WeakPolarHBondContact CB-O 3.24Å; P211-E216 WeakPolarHBondContact CG-O 3.43Å
212S97.4Very high98.1Very high36 Ų3661.2 Ų61.225%0.25232%0.321SS..  trans-128.4173176.8810000110.7L183 G184 K210 R214 L215L183-S212 WeakPolarHBondContact O-CB 3.42Å; G184-S212 PolarHBondContact O-OG 2.97Å; K210-S212 PolarHBondContact O-N 3.29Å; S212-R214 PolarHBondContact O-N 3.49Å; S212-R214 VanDerWaalsContact O-N 3.14Å; S212-R214 PolarHBondContact OG-N 2.93Å; S212-R214 VanDerWaalsContact OG-N 3.07Å; S212-L215 PolarHBondContact N-O 3.03Å; S212-L215 CarbonylContact O-C 3.54Å; S212-L215 PolarHBondContact O-N 3.48Å; S212-L215 PolarHBondContact OG-N 3.17Å
213A95.4Very high98.1Very high108 Ų10861.5 Ų61.589%0.89332%0.324SS*.SBendtrans-61.6-17.2172.100000113.4
214R96.3Very high98.1Very high62 Ų6255.4 Ų55.423%0.23430%0.295CS..SBendtrans-94.8-27179.5-70.3-178165-116.1-8.6113.3D147 I165 L185 S212D147-R214 VanDerWaalsContact CG-NE 3.31Å; D147-R214 VanDerWaalsContact CG-NH2 3.31Å; D147-R214 IonicContact OD1-CZ 3.55Å; D147-R214 IonicContact OD1-NE 2.87Å; D147-R214 PolarHBondContact OD1-NE 3.34Å; D147-R214 VanDerWaalsContact OD1-NE 3.11Å; D147-R214 IonicContact OD1-NH2 3.58Å; D147-R214 PolarHBondContact OD1-NH2 3.12Å; D147-R214 IonicContact OD2-CZ 2.69Å; D147-R214 IonicContact OD2-NE 3.87Å; D147-R214 PolarHBondContact OD2-NE 2.92Å; D147-R214 IonicContact OD2-NH2 2.82Å; I165-R214 PolarHBondContact O-NH1 3.29Å; L185-R214 HydrophobicContact CD2-CB 4.5Å; S212-R214 PolarHBondContact O-N 3.49Å; S212-R214 VanDerWaalsContact O-N 3.14Å; S212-R214 PolarHBondContact OG-N 2.93Å; S212-R214 VanDerWaalsContact OG-N 3.07Å
215L97.9Very high98.1Very high38 Ų3853.8 Ų53.820%0.19929%0.287CS..  trans-155.7119.2-174.9-169.765.6000111.5G184 P186 F209 S212 K217G184-L215 WeakPolarHBondContact O-CB 3.48Å; P186-L215 HydrophobicContact CB-CD2 4.04Å; F209-L215 HydrophobicContact CE2-CD2 3.95Å; F209-L215 HydrophobicContact CZ-CB 4.15Å; F209-L215 HydrophobicContact CZ-CD2 3.74Å; F209-L215 HydrophobicContact CZ-CG 3.89Å; S212-L215 PolarHBondContact N-O 3.03Å; S212-L215 CarbonylContact O-C 3.54Å; S212-L215 PolarHBondContact O-N 3.48Å; S212-L215 PolarHBondContact OG-N 3.17Å; L215-K217 WeakPolarHBondContact CD2-O 3.34Å; L215-K217 WeakPolarHBondContact CG-O 3.47Å
216E97.7Very high98.1Very high143 Ų14353.8 Ų53.867%0.66829%0.287SS*.SBendtrans-77.6-32.8-175.8-168-165.9146.800112.9P211P211-E216 WeakPolarHBondContact CB-O 3.24Å; P211-E216 WeakPolarHBondContact CG-O 3.43Å
217K98Very high98.1Very high139 Ų13950.6 Ų50.660%0.60428%0.275SS*.SBendtrans-136.8151.3-173.2-66179-172.4170.60109.9L215 Y219L215-K217 WeakPolarHBondContact CD2-O 3.34Å; L215-K217 WeakPolarHBondContact CG-O 3.47Å; K217-Y219 PolarHBondContact O-N 3.04Å
218P98.3Very high98.1Very high44 Ų4447 Ų4729%0.28625%0.25SC..  trans-56.7131.3178.324.1-33.3000110.4Y205 R206 F209Y205-P218 HydrophobicContact CD1-CB 4.22Å; Y205-P218 HydrophobicContact CE1-CB 3.62Å; R206-P218 HydrophobicContact CG-CB 4.19Å; R206-P218 HydrophobicContact CG-CG 4.35Å; F209-P218 HydrophobicContact CB-CB 3.98Å; F209-P218 HydrophobicContact CB-CG 4.25Å; F209-P218 HydrophobicContact CD1-CB 4.29Å; F209-P218 HydrophobicContact CD1-CG 4.44Å; F209-P218 HydrophobicContact CD2-CB 3.8Å; F209-P218 HydrophobicContact CE2-CB 4.36Å; F209-P218 HydrophobicContact CG-CB 3.75Å; F209-P218 HydrophobicContact CG-CG 4.23Å
219Y98.5Very high98.2Very high65 Ų6543.1 Ų43.126%0.25523%0.23SC..  trans-120.7114171.9-165.2-79.5000108.6W168 F187 Y205 K217 D305 E306W168-Y219 AromaticContact CH2-CD1 3.48Å; W168-Y219 HydrophobicContact CH2-CD1 3.48Å; W168-Y219 VanDerWaalsContact CH2-CD1 3.48Å; W168-Y219 AromaticContact CH2-CE1 3.58Å; W168-Y219 HydrophobicContact CH2-CE1 3.58Å; W168-Y219 HydrophobicContact CZ2-CD1 4.43Å; W168-Y219 HydrophobicContact CZ2-CE1 4.46Å; W168-Y219 HydrophobicContact CZ3-CD1 4.04Å; W168-Y219 HydrophobicContact CZ3-CE1 4.39Å; F187-Y219 PolarHBondContact N-O 2.68Å; F187-Y219 VanDerWaalsContact N-O 3.1Å; Y205-Y219 WeakPolarHBondContact CE1-O 3.3Å; Y205-Y219 PolarHBondContact OH-N 2.8Å; Y205-Y219 PolarHBondContact OH-O 2.98Å; K217-Y219 PolarHBondContact O-N 3.04Å; Y219-D305 HydrophobicContact CD1-CB 4.18Å; Y219-D305 HydrophobicContact CD2-CB 3.96Å; Y219-D305 HydrophobicContact CE1-CB 4.05Å; Y219-D305 HydrophobicContact CE2-CB 3.84Å; Y219-D305 HydrophobicContact CG-CB 4.14Å; Y219-E306 HydrophobicContact CE1-CB 3.72Å; Y219-E306 WeakPolarHBondContact CE1-OE2 3.41Å; Y219-E306 PolarHBondContact OH-OE2 3.43Å
220A98.5Very high98.1Very high0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-116.1124.2-174.200000111.8F187 L202 Y205 D305 E306F187-A220 CarbonylContact O-C 3.32Å; F187-A220 WeakPolarHBondContact O-CA 3.05Å; L202-A220 HydrophobicContact CD2-CB 3.75Å; Y205-A220 HydrophobicContact CD1-CB 4.09Å; Y205-A220 HydrophobicContact CE1-CB 3.93Å; A220-D305 PolarHBondContact N-OD2 3.34Å; A220-D305 PolarHBondContact O-N 2.97Å; A220-E306 PolarHBondContact O-N 3.3Å
221M98.7Very high98.2Very high0 Ų043.3 Ų43.30%024%0.241CC..EExtended strand (participates in β ladder)trans-102.5134.2173.8-176.9-169.1-58.100110.6W45 W168 F187 A188 F189 E306 M308W45-M221 HydrophobicContact CH2-CE 3.58Å; W45-M221 HydrophobicContact CH2-SD 4.14Å; W45-M221 HydrophobicContact CZ2-CE 4.17Å; W45-M221 HydrophobicContact CZ3-CE 3.97Å; W45-M221 HydrophobicContact CZ3-SD 3.89Å; W168-M221 HydrophobicContact CE3-CE 4.16Å; W168-M221 HydrophobicContact CH2-CE 3.53Å; W168-M221 HydrophobicContact CZ2-CE 4.15Å; W168-M221 HydrophobicContact CZ3-CB 3.94Å; W168-M221 HydrophobicContact CZ3-CE 3.53Å; F187-M221 PolarHBondContact O-N 3.44Å; A188-M221 CarbonylContact C-O 3.42Å; A188-M221 VanDerWaalsContact CA-O 3.26Å; A188-M221 WeakPolarHBondContact CA-O 3.49Å; A188-M221 HydrophobicContact CB-CB 3.74Å; A188-M221 HydrophobicContact CB-CG 4.13Å; A188-M221 HydrophobicContact CB-SD 3.9Å; F189-M221 PolarHBondContact N-O 2.76Å; M221-E306 CarbonylContact C-O 3.23Å; M221-E306 VanDerWaalsContact CA-O 3.23Å; M221-E306 WeakPolarHBondContact CA-O 3.45Å; M221-E306 HydrophobicContact CB-CB 4.12Å; M221-E306 HydrophobicContact CE-CB 4.36Å; M221-E306 HydrophobicContact CE-CG 3.9Å; M221-E306 WeakPolarHBondContact CE-OE1 3.31Å; M221-E306 WeakPolarHBondContact CE-OE2 3.44Å; M221-E306 HydrophobicContact CG-CB 4Å; M221-E306 HydrophobicContact CG-CG 4.05Å; M221-M308 HydrophobicContact CE-CE 4.14Å; M221-M308 HydrophobicContact CG-CB 4.01Å; M221-M308 HydrophobicContact SD-CB 3.59Å; M221-M308 VanDerWaalsContact SD-CB 3.59Å; M221-M308 HydrophobicContact SD-CE 3.55Å; M221-M308 VanDerWaalsContact SD-CE 3.55Å; M221-M308 HydrophobicContact SD-CG 4.34Å; M221-M308 HydrophobicContact SD-SD 3.88Å
222V98.6Very high98.2Very high0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-111.4120176.9179.60000109.2S191 L198 L202 I224 T302 A304 E306 I307 M308S191-V222 WeakPolarHBondContact OG-CG1 3.38Å; L198-V222 HydrophobicContact CD1-CG1 3.97Å; L198-V222 HydrophobicContact CD1-CG2 4.16Å; L198-V222 HydrophobicContact CD2-CG1 4.22Å; L202-V222 HydrophobicContact CD1-CG2 4.04Å; L202-V222 HydrophobicContact CD2-CG2 4.26Å; V222-I224 HydrophobicContact CG1-CG2 3.9Å; V222-T302 HydrophobicContact CG2-CG2 4.35Å; V222-A304 HydrophobicContact CB-CB 4.08Å; V222-A304 HydrophobicContact CG2-CB 3.65Å; V222-E306 PolarHBondContact N-O 3.1Å; V222-I307 HydrophobicContact CB-CD1 4.08Å; V222-M308 PolarHBondContact O-N 2.97Å
223C98.7Very high98.2Very high10 Ų1048.2 Ų48.27%0.06825%0.246CC..EExtended strand (participates in β ladder)trans-89.5123.9178.4-55.20000110.2F189 S191 H192 M308F189-C223 VanDerWaalsContact O-CB 3.28Å; F189-C223 WeakPolarHBondContact O-CB 3.25Å; F189-C223 PolarHBondContact O-N 2.73Å; F189-C223 PolarHBondContact O-SG 3.07Å; S191-C223 CarbonylContact C-O 3.51Å; S191-C223 PolarHBondContact N-O 3.22Å; S191-C223 PolarHBondContact OG-O 3.35Å; H192-C223 PolarHBondContact N-O 3.36Å; H192-C223 VanDerWaalsContact ND1-CB 3.3Å; H192-C223 WeakPolarHBondContact ND1-CB 3.29Å; C223-M308 CarbonylContact C-O 3.51Å; C223-M308 WeakPolarHBondContact CA-O 3.4Å; C223-M308 HydrophobicContact CB-CB 4.39Å
224I98.5Very high98.4Very high0 Ų046.7 Ų46.70%022%0.223CC..EExtended strand (participates in β ladder)trans-130.3160.2-17965.7174.2000110.5V222 I226 M282 L284 L295 I298 I307 M308 V309 N310V222-I224 HydrophobicContact CG1-CG2 3.9Å; I224-I226 HydrophobicContact CD1-CD1 4.18Å; I224-I226 HydrophobicContact CD1-CG1 4.08Å; I224-I226 HydrophobicContact CG1-CG1 4.23Å; I224-M282 WeakPolarHBondContact CB-O 3.42Å; I224-M282 HydrophobicContact CG2-CE 4.3Å; I224-L284 HydrophobicContact CD1-CD1 3.88Å; I224-L284 HydrophobicContact CD1-CG 4.27Å; I224-L295 HydrophobicContact CD1-CD1 4.38Å; I224-I298 HydrophobicContact CD1-CD1 3.94Å; I224-I298 HydrophobicContact CG2-CD1 4.09Å; I224-I298 HydrophobicContact CG2-CG2 4.36Å; I224-I307 HydrophobicContact CD1-CG2 3.85Å; I224-I307 HydrophobicContact CG1-CG2 3.92Å; I224-M308 PolarHBondContact N-O 3.37Å; I224-V309 WeakPolarHBondContact O-CA 3.34Å; I224-N310 PolarHBondContact O-N 3.41Å
225N98.7Very high98.5Very high1 Ų143.7 Ų43.71%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-87.8140.6166.3-56.5-57.9000109.5H192 M242 S283 L284 N310H192-N225 PolarHBondContact O-ND2 2.64Å; N225-M242 HydrophobicContact CB-CE 4.45Å; N225-M242 HydrophobicContact CB-SD 4.47Å; N225-S283 PolarHBondContact ND2-OG 3.26Å; N225-S283 WeakPolarHBondContact O-CA 3.26Å; N225-L284 PolarHBondContact O-N 3.2Å; N225-N310 CarbonylContact C-O 3.52Å; N225-N310 VanDerWaalsContact CA-O 3.24Å; N225-N310 WeakPolarHBondContact CA-O 3.48Å
226I98.6Very high98.5Very high0 Ų046.3 Ų46.30%022%0.223CC..EExtended strand (participates in β ladder)trans-125120.3164-59.5-169.1000108.2F8 I224 A228 L284 V291 V309 N310 A326F8-I226 HydrophobicContact CE2-CD1 4.41Å; I224-I226 HydrophobicContact CD1-CD1 4.18Å; I224-I226 HydrophobicContact CD1-CG1 4.08Å; I224-I226 HydrophobicContact CG1-CG1 4.23Å; I226-A228 HydrophobicContact CG2-CB 4.02Å; I226-L284 WeakPolarHBondContact CA-O 3.48Å; I226-L284 HydrophobicContact CD1-CD1 4.42Å; I226-L284 HydrophobicContact CG1-CB 4.29Å; I226-L284 HydrophobicContact CG1-CD1 4.44Å; I226-V291 HydrophobicContact CD1-CG1 4.32Å; I226-V291 HydrophobicContact CG2-CG1 3.99Å; I226-V291 HydrophobicContact CG2-CG2 4.42Å; I226-V309 HydrophobicContact CD1-CB 4.34Å; I226-V309 HydrophobicContact CD1-CG1 3.56Å; I226-V309 HydrophobicContact CG1-CB 4.33Å; I226-V309 HydrophobicContact CG1-CG1 4Å; I226-N310 PolarHBondContact N-O 3.48Å; I226-A326 HydrophobicContact CD1-CB 4.09Å; I226-A326 HydrophobicContact CG2-CB 4.11Å
227I98.7Very high98.6Very high0 Ų042.4 Ų42.40%020%0.203CC..EExtended strand (participates in β ladder)trans-116.586.6165.7-48-51.1000106.9A235 L238 F239 M242 L284 V285 G286 I313I227-A235 WeakPolarHBondContact CG2-O 3.32Å; I227-A235 WeakPolarHBondContact O-CB 3.44Å; I227-L238 HydrophobicContact CG2-CB 3.85Å; I227-F239 HydrophobicContact CB-CB 4.39Å; I227-F239 HydrophobicContact CG1-CB 4.12Å; I227-F239 HydrophobicContact CG1-CD2 3.64Å; I227-F239 HydrophobicContact CG1-CE2 4.45Å; I227-F239 HydrophobicContact CG1-CG 4.23Å; I227-F239 HydrophobicContact CG2-CB 4.26Å; I227-M242 HydrophobicContact CD1-CE 4.48Å; I227-L284 PolarHBondContact N-O 3.23Å; I227-V285 HydrophobicContact CB-CG1 4.24Å; I227-V285 HydrophobicContact CB-CG2 4.18Å; I227-V285 HydrophobicContact CG1-CG2 4.27Å; I227-V285 WeakPolarHBondContact O-CA 3.31Å; I227-G286 PolarHBondContact O-N 2.87Å; I227-G286 VanDerWaalsContact O-N 3.11Å; I227-I313 HydrophobicContact CD1-CD1 4Å; I227-I313 HydrophobicContact CD1-CG1 3.71Å; I227-I313 HydrophobicContact CG2-CD1 4.13Å; I227-I313 HydrophobicContact CG2-CG1 4.23Å
228A98.7Very high98.6Very high1 Ų136.8 Ų36.81%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-90.5142.4173.400000111.5I226 G286 V291 S322 L325I226-A228 HydrophobicContact CG2-CB 4.02Å; A228-G286 VanDerWaalsContact CA-O 3.28Å; A228-G286 WeakPolarHBondContact CA-O 3.46Å; A228-V291 HydrophobicContact CB-CG2 4.05Å; A228-S322 WeakPolarHBondContact CA-OG 3.4Å; A228-S322 PolarHBondContact N-OG 2.9Å; A228-S322 WeakPolarHBondContact O-CA 3.46Å; A228-S322 WeakPolarHBondContact O-CB 3.35Å; A228-S322 PolarHBondContact O-OG 3.34Å; A228-L325 HydrophobicContact CB-CB 3.67Å; A228-L325 HydrophobicContact CB-CD1 3.95Å; A228-L325 HydrophobicContact CB-CG 4.49Å
229A98.8Very high98.6Very high6 Ų635.7 Ų35.75%0.0517%0.171CC..  trans-148.4-179.3171.800000110.5S231 D234 A235 L238 G286 D287A229-S231 PolarHBondContact O-N 3.04Å; A229-D234 HydrophobicContact CB-CB 3.87Å; A229-A235 HydrophobicContact CB-CB 3.89Å; A229-L238 HydrophobicContact CB-CD1 4.25Å; A229-G286 PolarHBondContact N-O 2.94Å; A229-G286 VanDerWaalsContact N-O 3.15Å; A229-D287 WeakPolarHBondContact O-CA 3.27Å
230D98.4Very high98.6Very high122 Ų12233 Ų3365%0.65216%0.161SC*.SBendtrans-69.5-19.1-179.9-62.5-29.8000113.3H321D230-H321 IonicContact OD1-CD2 3.69Å; D230-H321 IonicContact OD1-CE1 3.04Å; D230-H321 IonicContact OD1-NE2 3.59Å; D230-H321 PolarHBondContact OD1-NE2 3.49Å; D230-H321 IonicContact OD2-NE2 3.82Å
231S98.6Very high98.6Very high39 Ų3933 Ų3327%0.27316%0.161SC..SBendtrans-141.6156.7175.282.30000111.6A229 R233 D234 A235A229-S231 PolarHBondContact O-N 3.04Å; S231-R233 PolarHBondContact O-N 3.21Å; S231-R233 PolarHBondContact OG-N 2.81Å; S231-D234 PolarHBondContact O-N 3.44Å; S231-D234 PolarHBondContact OG-N 2.92Å; S231-D234 VanDerWaalsContact OG-N 3.12Å; S231-D234 PolarHBondContact OG-OD2 2.82Å; S231-A235 PolarHBondContact O-N 2.83Å; S231-A235 VanDerWaalsContact O-N 3.07Å
232N98.6Very high98.6Very high54 Ų5433.1 Ų33.129%0.28916%0.162SC..Hα-helixtrans-58.4-38.6174-67.4-49.6000112.2A235 E236 G286 D287 K290N232-A235 PolarHBondContact O-N 3.36Å; N232-E236 WeakPolarHBondContact O-CB 3.27Å; N232-E236 WeakPolarHBondContact O-CG 3.46Å; N232-E236 PolarHBondContact O-N 2.85Å; N232-G286 WeakPolarHBondContact OD1-CA 3.26Å; N232-D287 PolarHBondContact ND2-OD2 2.9Å; N232-D287 PolarHBondContact OD1-N 3.08Å; N232-D287 PolarHBondContact OD1-OD2 3.21Å; N232-K290 VanDerWaalsContact OD1-CD 3.24Å; N232-K290 WeakPolarHBondContact OD1-CD 3.49Å
233R98.3Very high98.6Very high181 Ų18134.3 Ų34.368%0.68317%0.167SC*.Hα-helixtrans-62.4-44.4178.8-179.8-177.1176-177.8-1.9111.6S231 E236 F237S231-R233 PolarHBondContact O-N 3.21Å; S231-R233 PolarHBondContact OG-N 2.81Å; R233-E236 PolarHBondContact O-N 2.84Å; R233-F237 WeakPolarHBondContact O-CB 3.31Å; R233-F237 PolarHBondContact O-N 2.7Å
234D98.6Very high98.6Very high75 Ų7534.3 Ų34.340%0.40117%0.166SC..Hα-helixtrans-70.2-40.4-178.4-59.8-38.9000110.9A229 S231 E236 F237 L238A229-D234 HydrophobicContact CB-CB 3.87Å; S231-D234 PolarHBondContact O-N 3.44Å; S231-D234 PolarHBondContact OG-N 2.92Å; S231-D234 VanDerWaalsContact OG-N 3.12Å; S231-D234 PolarHBondContact OG-OD2 2.82Å; D234-E236 PolarHBondContact O-N 2.92Å; D234-F237 PolarHBondContact O-N 3.35Å; D234-L238 VanDerWaalsContact O-CG 3.27Å; D234-L238 WeakPolarHBondContact O-CG 3.34Å; D234-L238 PolarHBondContact O-N 3Å
235A98.8Very high98.5Very high0 Ų035.5 Ų35.50%018%0.176CC..Hα-helixtrans-60.3-45.3174.300000111.9I227 A229 S231 N232 L238 F239 V285I227-A235 WeakPolarHBondContact CG2-O 3.32Å; I227-A235 WeakPolarHBondContact O-CB 3.44Å; A229-A235 HydrophobicContact CB-CB 3.89Å; S231-A235 PolarHBondContact O-N 2.83Å; S231-A235 VanDerWaalsContact O-N 3.07Å; N232-A235 PolarHBondContact O-N 3.36Å; A235-L238 PolarHBondContact O-N 3.37Å; A235-F239 WeakPolarHBondContact O-CB 3.36Å; A235-F239 PolarHBondContact O-N 3.41Å; A235-V285 HydrophobicContact CB-CG1 3.97Å; A235-V285 WeakPolarHBondContact O-CG1 3.35Å
236E98.4Very high98.4Very high93 Ų9337 Ų3744%0.43518%0.183SC..Hα-helixtrans-63.2-40.9176.8-74.4165.6-171.900111.6N232 R233 D234 F239 T240 V285 K290N232-E236 WeakPolarHBondContact O-CB 3.27Å; N232-E236 WeakPolarHBondContact O-CG 3.46Å; N232-E236 PolarHBondContact O-N 2.85Å; R233-E236 PolarHBondContact O-N 2.84Å; D234-E236 PolarHBondContact O-N 2.92Å; E236-F239 PolarHBondContact O-N 3.27Å; E236-T240 WeakPolarHBondContact O-CG2 3.47Å; E236-T240 PolarHBondContact O-N 2.95Å; E236-V285 HydrophobicContact CG-CG1 4.12Å; E236-K290 IonicContact OE1-NZ 3.97Å; E236-K290 PolarHBondContact OE1-NZ 3.21Å; E236-K290 VanDerWaalsContact OE1-NZ 3.13Å
237F98.8Very high98.4Very high60 Ų6037 Ų3726%0.26318%0.183SC..Hα-helixtrans-60.6-50.8173.4174.3-112.1000111.8R233 D234 F239 T240 P260 I261 Q262R233-F237 WeakPolarHBondContact O-CB 3.31Å; R233-F237 PolarHBondContact O-N 2.7Å; D234-F237 PolarHBondContact O-N 3.35Å; F237-F239 VanDerWaalsContact C-N 3.29Å; F237-F239 PolarHBondContact O-N 2.85Å; F237-T240 WeakPolarHBondContact O-CB 3.1Å; F237-T240 WeakPolarHBondContact O-CG2 3.34Å; F237-T240 PolarHBondContact O-N 2.75Å; F237-T240 PolarHBondContact O-OG1 3.46Å; F237-P260 HydrophobicContact CD1-CB 4.19Å; F237-P260 HydrophobicContact CD1-CG 4.21Å; F237-P260 HydrophobicContact CD2-CB 4.13Å; F237-P260 HydrophobicContact CE1-CB 3.89Å; F237-P260 HydrophobicContact CE1-CG 3.53Å; F237-P260 HydrophobicContact CE2-CB 3.81Å; F237-P260 HydrophobicContact CE2-CG 4.15Å; F237-P260 HydrophobicContact CG-CB 4.31Å; F237-P260 HydrophobicContact CZ-CB 3.69Å; F237-P260 HydrophobicContact CZ-CG 3.5Å; F237-P260 WeakPolarHBondContact O-CB 3.4Å; F237-I261 WeakPolarHBondContact CD2-O 3.44Å; F237-Q262 HydrophobicContact CE2-CG 4.32Å
238L98.7Very high98.3Very high21 Ų2139.1 Ų39.111%0.1119%0.192CC..Hα-helixtrans-59.8-39.3179.2-67.6173.4000112.2I227 A229 D234 A235 T240 S241 I313 A318I227-L238 HydrophobicContact CG2-CB 3.85Å; A229-L238 HydrophobicContact CB-CD1 4.25Å; D234-L238 VanDerWaalsContact O-CG 3.27Å; D234-L238 WeakPolarHBondContact O-CG 3.34Å; D234-L238 PolarHBondContact O-N 3Å; A235-L238 PolarHBondContact O-N 3.37Å; L238-T240 PolarHBondContact O-N 2.93Å; L238-S241 PolarHBondContact O-N 2.95Å; L238-S241 PolarHBondContact O-OG 3.28Å; L238-S241 VanDerWaalsContact O-OG 3.08Å; L238-I313 HydrophobicContact CB-CG2 4.32Å; L238-I313 HydrophobicContact CD1-CG2 4.39Å; L238-I313 HydrophobicContact CD2-CG2 3.98Å; L238-I313 HydrophobicContact CG-CG2 4.45Å; L238-A318 HydrophobicContact CD1-CB 3.93Å; L238-A318 HydrophobicContact CD2-CB 3.98Å
239F98.6Very high98.1Very high22 Ų2243.6 Ų43.610%0.09622%0.215CC..Hα-helixtrans-63-24.4-179.3-176.6-132.8000113.7I227 A235 E236 F237 S241 M242 Q243 L280 V285I227-F239 HydrophobicContact CB-CB 4.39Å; I227-F239 HydrophobicContact CG1-CB 4.12Å; I227-F239 HydrophobicContact CG1-CD2 3.64Å; I227-F239 HydrophobicContact CG1-CE2 4.45Å; I227-F239 HydrophobicContact CG1-CG 4.23Å; I227-F239 HydrophobicContact CG2-CB 4.26Å; A235-F239 WeakPolarHBondContact O-CB 3.36Å; A235-F239 PolarHBondContact O-N 3.41Å; E236-F239 PolarHBondContact O-N 3.27Å; F237-F239 VanDerWaalsContact C-N 3.29Å; F237-F239 PolarHBondContact O-N 2.85Å; F239-S241 PolarHBondContact O-N 3.49Å; F239-S241 VanDerWaalsContact O-N 3.11Å; F239-M242 HydrophobicContact CD2-CB 4.19Å; F239-M242 HydrophobicContact CD2-SD 4.39Å; F239-M242 HydrophobicContact CE2-CB 4.31Å; F239-M242 HydrophobicContact CE2-CG 4.45Å; F239-M242 HydrophobicContact CE2-SD 3.83Å; F239-M242 PolarHBondContact O-N 2.85Å; F239-Q243 HydrophobicContact CD1-CG 3.88Å; F239-Q243 HydrophobicContact CE1-CG 3.75Å; F239-Q243 VanDerWaalsContact CE1-NE2 3.33Å; F239-Q243 HydrophobicContact CE2-CG 4.48Å; F239-Q243 HydrophobicContact CG-CG 4.33Å; F239-Q243 HydrophobicContact CZ-CG 4.08Å; F239-Q243 PolarHBondContact O-N 2.84Å; F239-Q243 VanDerWaalsContact O-N 3.13Å; F239-L280 HydrophobicContact CE2-CD1 3.95Å; F239-L280 HydrophobicContact CZ-CB 4Å; F239-L280 HydrophobicContact CZ-CD1 3.66Å; F239-L280 HydrophobicContact CZ-CG 4.41Å; F239-V285 HydrophobicContact CB-CG1 3.86Å; F239-V285 HydrophobicContact CB-CG2 4.31Å; F239-V285 HydrophobicContact CD1-CG1 4.24Å; F239-V285 HydrophobicContact CD1-CG2 3.79Å; F239-V285 HydrophobicContact CD2-CG2 3.99Å; F239-V285 HydrophobicContact CE1-CG2 3.96Å; F239-V285 HydrophobicContact CE2-CG2 4.16Å; F239-V285 HydrophobicContact CG-CG1 4.17Å; F239-V285 HydrophobicContact CG-CG2 3.78Å; F239-V285 HydrophobicContact CZ-CG2 4.14Å
240T98.6Very high97.8Very high9 Ų949.7 Ų49.76%0.05524%0.237CC..Hα-helixtrans-59.1-25.4178.465.60000113.2E236 F237 L238 Q243 Q244 P260 I261 M264E236-T240 WeakPolarHBondContact O-CG2 3.47Å; E236-T240 PolarHBondContact O-N 2.95Å; F237-T240 WeakPolarHBondContact O-CB 3.1Å; F237-T240 WeakPolarHBondContact O-CG2 3.34Å; F237-T240 PolarHBondContact O-N 2.75Å; F237-T240 PolarHBondContact O-OG1 3.46Å; L238-T240 PolarHBondContact O-N 2.93Å; T240-Q243 PolarHBondContact O-N 3.18Å; T240-Q244 WeakPolarHBondContact O-CB 3.28Å; T240-Q244 WeakPolarHBondContact O-CG 3.34Å; T240-Q244 PolarHBondContact O-N 3.12Å; T240-Q244 PolarHBondContact O-NE2 3.44Å; T240-Q244 VanDerWaalsContact O-NE2 3.13Å; T240-P260 WeakPolarHBondContact OG1-CA 3.47Å; T240-P260 VanDerWaalsContact OG1-CB 3.31Å; T240-P260 WeakPolarHBondContact OG1-CB 3.22Å; T240-I261 WeakPolarHBondContact CG2-O 3.31Å; T240-I261 PolarHBondContact OG1-N 3.25Å; T240-I261 PolarHBondContact OG1-O 3.02Å; T240-M264 HydrophobicContact CG2-CG 3.71Å; T240-M264 HydrophobicContact CG2-SD 4.2Å
241S98.5Very high97.7Very high0 Ų048.2 Ų48.20%022%0.222CC..Hα-helixtrans-59.8-48.4174.2-44.40000111.3L238 F239 A245 P258 P260L238-S241 PolarHBondContact O-N 2.95Å; L238-S241 PolarHBondContact O-OG 3.28Å; L238-S241 VanDerWaalsContact O-OG 3.08Å; F239-S241 PolarHBondContact O-N 3.49Å; F239-S241 VanDerWaalsContact O-N 3.11Å; S241-A245 PolarHBondContact O-N 2.8Å; S241-P258 VanDerWaalsContact CB-O 3.31Å; S241-P258 WeakPolarHBondContact CB-O 3.24Å; S241-P258 PolarHBondContact OG-O 3.41Å; S241-P260 WeakPolarHBondContact OG-CD 3.41Å
242M97.8Very high97.3Very high2 Ų249.4 Ų49.41%0.0124%0.241CC..Hα-helixtrans-68.2-40.7177.9-174.2-177.3-73.100111.1N225 I227 F239 Q244 A245 F246 L280 Q312N225-M242 HydrophobicContact CB-CE 4.45Å; N225-M242 HydrophobicContact CB-SD 4.47Å; I227-M242 HydrophobicContact CD1-CE 4.48Å; F239-M242 HydrophobicContact CD2-CB 4.19Å; F239-M242 HydrophobicContact CD2-SD 4.39Å; F239-M242 HydrophobicContact CE2-CB 4.31Å; F239-M242 HydrophobicContact CE2-CG 4.45Å; F239-M242 HydrophobicContact CE2-SD 3.83Å; F239-M242 PolarHBondContact O-N 2.85Å; M242-Q244 PolarHBondContact O-N 3.26Å; M242-A245 WeakPolarHBondContact O-CB 3.47Å; M242-A245 PolarHBondContact O-N 3.47Å; M242-F246 HydrophobicContact CG-CD2 4.03Å; M242-F246 HydrophobicContact CG-CE2 3.97Å; M242-F246 WeakPolarHBondContact O-CD2 3.15Å; M242-F246 PolarHBondContact O-N 2.96Å; M242-L280 HydrophobicContact CG-CD1 4.23Å; M242-L280 HydrophobicContact CG-CD2 4.45Å; M242-L280 HydrophobicContact SD-CD1 4.31Å; M242-L280 HydrophobicContact SD-CD2 3.86Å; M242-Q312 HydrophobicContact CB-CB 4.46Å; M242-Q312 HydrophobicContact CE-CB 3.63Å; M242-Q312 HydrophobicContact CE-CG 4Å
243Q98.5Very high97.1Very high25 Ų2552.1 Ų52.112%0.11725%0.252CS..Hα-helixtrans-61.3-45.6177.3-67.3176.6-46.200111.8F239 T240 A245 F246 V247 M264 W268 V276 L280F239-Q243 HydrophobicContact CD1-CG 3.88Å; F239-Q243 HydrophobicContact CE1-CG 3.75Å; F239-Q243 VanDerWaalsContact CE1-NE2 3.33Å; F239-Q243 HydrophobicContact CE2-CG 4.48Å; F239-Q243 HydrophobicContact CG-CG 4.33Å; F239-Q243 HydrophobicContact CZ-CG 4.08Å; F239-Q243 PolarHBondContact O-N 2.84Å; F239-Q243 VanDerWaalsContact O-N 3.13Å; T240-Q243 PolarHBondContact O-N 3.18Å; Q243-A245 VanDerWaalsContact C-N 3.32Å; Q243-A245 PolarHBondContact O-N 3.32Å; Q243-F246 PolarHBondContact O-N 2.88Å; Q243-V247 WeakPolarHBondContact O-CG2 3.35Å; Q243-V247 PolarHBondContact O-N 2.73Å; Q243-M264 HydrophobicContact CB-CE 3.79Å; Q243-M264 HydrophobicContact CB-SD 4.22Å; Q243-W268 HydrophobicContact CB-CZ3 3.93Å; Q243-W268 HydrophobicContact CG-CZ3 4.19Å; Q243-V276 HydrophobicContact CB-CG1 4.18Å; Q243-V276 HydrophobicContact CG-CG1 4.17Å; Q243-L280 HydrophobicContact CG-CD1 4.2Å
244Q98.5Very high96.8Very high10 Ų1046.8 Ų46.85%0.04724%0.239CC..Hα-helixtrans-58.6-43.7173.5-72.7172.783.600111.6T240 M242 F246 V247 K248 P258 P259 I261 M264 F267T240-Q244 WeakPolarHBondContact O-CB 3.28Å; T240-Q244 WeakPolarHBondContact O-CG 3.34Å; T240-Q244 PolarHBondContact O-N 3.12Å; T240-Q244 PolarHBondContact O-NE2 3.44Å; T240-Q244 VanDerWaalsContact O-NE2 3.13Å; M242-Q244 PolarHBondContact O-N 3.26Å; Q244-F246 VanDerWaalsContact C-N 3.32Å; Q244-F246 PolarHBondContact O-N 3.03Å; Q244-V247 PolarHBondContact O-N 2.97Å; Q244-K248 WeakPolarHBondContact O-CB 3.45Å; Q244-K248 WeakPolarHBondContact O-CG 3.16Å; Q244-K248 PolarHBondContact O-N 2.94Å; Q244-P258 HydrophobicContact CB-CG 3.54Å; Q244-P258 HydrophobicContact CG-CG 4.39Å; Q244-P259 PolarHBondContact NE2-O 3.13Å; Q244-I261 HydrophobicContact CG-CD1 4.19Å; Q244-I261 HydrophobicContact CG-CG1 4.47Å; Q244-M264 HydrophobicContact CG-CE 3.98Å; Q244-M264 HydrophobicContact CG-SD 3.69Å; Q244-F267 HydrophobicContact CB-CE1 4.1Å; Q244-F267 HydrophobicContact CB-CZ 4.32Å; Q244-F267 HydrophobicContact CG-CD1 4.11Å; Q244-F267 HydrophobicContact CG-CE1 3.99Å; Q244-F267 HydrophobicContact CG-CG 4.44Å; Q244-F267 HydrophobicContact CG-CZ 4.23Å
245A97.5Very high96.6Very high25 Ų2544.8 Ų44.821%0.20724%0.236CC..Hα-helixtrans-60.5-39.7177.500000112.3S241 M242 Q243 K248 L249 L257S241-A245 PolarHBondContact O-N 2.8Å; M242-A245 WeakPolarHBondContact O-CB 3.47Å; M242-A245 PolarHBondContact O-N 3.47Å; Q243-A245 VanDerWaalsContact C-N 3.32Å; Q243-A245 PolarHBondContact O-N 3.32Å; A245-K248 PolarHBondContact O-N 3.23Å; A245-L249 WeakPolarHBondContact O-CB 3.23Å; A245-L249 PolarHBondContact O-N 3.17Å; A245-L257 HydrophobicContact CB-CD1 4.35Å
246F97.2Very high96.6Very high32 Ų3247.8 Ų47.814%0.1425%0.25CS..Hα-helixtrans-70.5-36.1176.4-89.3-110.1000113.4F193 M242 Q243 Q244 R250 V276 A279 L280F193-F246 HydrophobicContact CB-CE1 3.95Å; F193-F246 HydrophobicContact CB-CZ 3.62Å; M242-F246 HydrophobicContact CG-CD2 4.03Å; M242-F246 HydrophobicContact CG-CE2 3.97Å; M242-F246 WeakPolarHBondContact O-CD2 3.15Å; M242-F246 PolarHBondContact O-N 2.96Å; Q243-F246 PolarHBondContact O-N 2.88Å; Q244-F246 VanDerWaalsContact C-N 3.32Å; Q244-F246 PolarHBondContact O-N 3.03Å; F246-R250 WeakPolarHBondContact O-CG 3.13Å; F246-R250 PolarHBondContact O-N 3.36Å; F246-V276 HydrophobicContact CB-CG1 4.23Å; F246-V276 HydrophobicContact CB-CG2 4.02Å; F246-A279 HydrophobicContact CD1-CB 4.04Å; F246-A279 HydrophobicContact CE1-CB 4Å; F246-L280 HydrophobicContact CD1-CD2 4.26Å; F246-L280 HydrophobicContact CD1-CG 4.33Å; F246-L280 HydrophobicContact CD2-CD1 4.25Å; F246-L280 HydrophobicContact CD2-CD2 4.12Å; F246-L280 HydrophobicContact CE1-CD2 3.82Å; F246-L280 HydrophobicContact CE1-CG 4.32Å; F246-L280 HydrophobicContact CE2-CD2 3.68Å; F246-L280 HydrophobicContact CG-CD1 4.3Å; F246-L280 HydrophobicContact CG-CD2 4.39Å; F246-L280 HydrophobicContact CG-CG 4.41Å; F246-L280 HydrophobicContact CZ-CD2 3.5Å; F246-L280 VanDerWaalsContact CZ-CD2 3.5Å; F246-L280 HydrophobicContact CZ-CG 4.41Å
247V98.1Very high96.6Very high0 Ų043.6 Ų43.60%023%0.231CC..Hα-helixtrans-62.4-51.3171.2171.60000109.9Q243 Q244 L249 R250 R251 M264 F267 W268 V276Q243-V247 WeakPolarHBondContact O-CG2 3.35Å; Q243-V247 PolarHBondContact O-N 2.73Å; Q244-V247 PolarHBondContact O-N 2.97Å; V247-L249 VanDerWaalsContact C-N 3.28Å; V247-L249 PolarHBondContact O-N 3.29Å; V247-R250 WeakPolarHBondContact O-CB 3.23Å; V247-R250 PolarHBondContact O-N 3.41Å; V247-R251 WeakPolarHBondContact O-CG 3.06Å; V247-R251 PolarHBondContact O-N 3.26Å; V247-M264 HydrophobicContact CG2-CE 4.5Å; V247-F267 HydrophobicContact CB-CD1 4.3Å; V247-F267 HydrophobicContact CB-CE1 3.78Å; V247-F267 HydrophobicContact CG1-CD1 4.08Å; V247-F267 HydrophobicContact CG1-CE1 3.6Å; V247-F267 HydrophobicContact CG2-CD1 4.32Å; V247-F267 HydrophobicContact CG2-CE1 4.27Å; V247-W268 HydrophobicContact CG2-CB 4.09Å; V247-W268 HydrophobicContact CG2-CE3 4.16Å; V247-V276 HydrophobicContact CG2-CG2 3.68Å
248K96.9Very high96.6Very high44 Ų4440.9 Ų40.919%0.19122%0.219CC..Hα-helixtrans-58.3-39.7178.4-75.7-176.8178.6-175.80112Q244 A245 R250 R251 G252 E253 F267Q244-K248 WeakPolarHBondContact O-CB 3.45Å; Q244-K248 WeakPolarHBondContact O-CG 3.16Å; Q244-K248 PolarHBondContact O-N 2.94Å; A245-K248 PolarHBondContact O-N 3.23Å; K248-R250 VanDerWaalsContact C-N 3.32Å; K248-R250 PolarHBondContact O-N 3.34Å; K248-R251 CarbonylContact O-C 3.51Å; K248-R251 PolarHBondContact O-N 3.03Å; K248-R251 VanDerWaalsContact O-N 3.14Å; K248-G252 PolarHBondContact O-N 3.33Å; K248-E253 HydrophobicContact CB-CB 4.29Å; K248-E253 HydrophobicContact CG-CB 4.46Å; K248-E253 PolarHBondContact O-N 3.07Å; K248-F267 HydrophobicContact CG-CZ 4.28Å
249L93.7Very high96.6Very high95 Ų9542.2 Ų42.250%0.49723%0.229SC..Hα-helixtrans-56.9-44.7173.9178.164.5000112.1A245 V247 R251 G252 T254A245-L249 WeakPolarHBondContact O-CB 3.23Å; A245-L249 PolarHBondContact O-N 3.17Å; V247-L249 VanDerWaalsContact C-N 3.28Å; V247-L249 PolarHBondContact O-N 3.29Å; L249-R251 VanDerWaalsContact C-N 3.31Å; L249-R251 PolarHBondContact O-N 2.91Å; L249-G252 PolarHBondContact O-N 3.14Å; L249-T254 HydrophobicContact CB-CG2 4.11Å; L249-T254 HydrophobicContact CD1-CG2 3.45Å; L249-T254 VanDerWaalsContact CD1-CG2 3.45Å; L249-T254 HydrophobicContact CG-CG2 4.39Å
250R92.6Very high96.5Very high135 Ų13542.4 Ų42.451%0.50923%0.233SC..Hα-helixtrans-69.2-28.7177.8-68.7172.8-177.7-117.6-3113F246 V247 K248 G252 G275F246-R250 WeakPolarHBondContact O-CG 3.13Å; F246-R250 PolarHBondContact O-N 3.36Å; V247-R250 WeakPolarHBondContact O-CB 3.23Å; V247-R250 PolarHBondContact O-N 3.41Å; K248-R250 VanDerWaalsContact C-N 3.32Å; K248-R250 PolarHBondContact O-N 3.34Å; R250-G252 VanDerWaalsContact C-N 3.31Å; R250-G275 VanDerWaalsContact CZ-C 3.49Å; R250-G275 PolarHBondContact NH2-O 3.46Å
251R95.6Very high96.5Very high90 Ų9044.3 Ų44.334%0.3424%0.242SC..Hα-helixtrans-79.2-11.5174.3-65.2179-177.6168.13.4113.4V247 K248 L249 E253 F267 E272V247-R251 WeakPolarHBondContact O-CG 3.06Å; V247-R251 PolarHBondContact O-N 3.26Å; K248-R251 CarbonylContact O-C 3.51Å; K248-R251 PolarHBondContact O-N 3.03Å; K248-R251 VanDerWaalsContact O-N 3.14Å; L249-R251 VanDerWaalsContact C-N 3.31Å; L249-R251 PolarHBondContact O-N 2.91Å; R251-E253 VanDerWaalsContact C-N 3.29Å; R251-E253 HydrophobicContact CB-CB 4.28Å; R251-E253 HydrophobicContact CB-CG 3.83Å; R251-F267 PolarHBondContact NH2-O 3.07Å; R251-E272 IonicContact CZ-OE1 3.92Å; R251-E272 VanDerWaalsContact CZ-OE1 3.31Å; R251-E272 IonicContact CZ-OE2 2.8Å; R251-E272 IonicContact NE-OE1 3.08Å; R251-E272 PolarHBondContact NE-OE1 3.18Å; R251-E272 IonicContact NE-OE2 2.87Å; R251-E272 VanDerWaalsContact NH2-CD 3.32Å; R251-E272 IonicContact NH2-OE1 3.31Å; R251-E272 PolarHBondContact NH2-OE1 3.25Å; R251-E272 VanDerWaalsContact NH2-OE1 3.08Å; R251-E272 IonicContact NH2-OE2 3.85Å; R251-E272 PolarHBondContact NH2-OE2 2.83Å
252G91.9Very high96.4Very high65 Ų6551 Ų5167%0.6727%0.273SS*.THydrogen-bonded Turntrans74.221-171.600000113.4K248 L249 R250K248-G252 PolarHBondContact O-N 3.33Å; L249-G252 PolarHBondContact O-N 3.14Å; R250-G252 VanDerWaalsContact C-N 3.31Å
253E93.3Very high96.3Very high111 Ų11154.2 Ų54.252%0.51929%0.291SS..  trans-107.635.5-176.2-62.8171.5-178.200110.9K248 R251K248-E253 HydrophobicContact CB-CB 4.29Å; K248-E253 HydrophobicContact CG-CB 4.46Å; K248-E253 PolarHBondContact O-N 3.07Å; R251-E253 VanDerWaalsContact C-N 3.29Å; R251-E253 HydrophobicContact CB-CB 4.28Å; R251-E253 HydrophobicContact CB-CG 3.83Å
254T91.7Very high96.2Very high68 Ų6853.5 Ų53.542%0.41729%0.288SS..  trans-59.8143.9-178.549.60000111.3L249L249-T254 HydrophobicContact CB-CG2 4.11Å; L249-T254 HydrophobicContact CD1-CG2 3.45Å; L249-T254 VanDerWaalsContact CD1-CG2 3.45Å; L249-T254 HydrophobicContact CG-CG2 4.39Å
255G95.6Very high96Very high33 Ų3358 Ų5834%0.3431%0.312SS..  trans-163.7-163.2-174.500000111.4T53 G54T53-G255 WeakPolarHBondContact OG1-CA 3.39Å; G54-G255 VanDerWaalsContact CA-O 3.28Å; G54-G255 WeakPolarHBondContact CA-O 3.42Å; G54-G255 PolarHBondContact N-O 3.33Å
256Q98.1Very high95.8Very high63 Ų6365 Ų6529%0.29434%0.34SS..SBendtrans-60.8154.5168.9-69.3-176.8-37.400111.1I16 E18 S20 P258I16-Q256 HydrophobicContact CB-CG 4.45Å; I16-Q256 HydrophobicContact CG2-CG 4.09Å; I16-Q256 VanDerWaalsContact CG2-NE2 3.29Å; I16-Q256 CarbonylContact O-C 3.56Å; I16-Q256 VanDerWaalsContact O-CA 3.3Å; I16-Q256 WeakPolarHBondContact O-CA 3.48Å; I16-Q256 VanDerWaalsContact O-CB 3.24Å; I16-Q256 WeakPolarHBondContact O-CB 3.39Å; E18-Q256 HydrophobicContact CB-CB 4.34Å; S20-Q256 PolarHBondContact O-NE2 3.11Å; Q256-P258 WeakPolarHBondContact O-CD 3.45Å
257L98.2Very high95.8Very high6 Ų666 Ų663%0.03135%0.345CS..BIsolated β-bridgetrans-64.4115.9178.5179.969.7000108.5P15 I16 P17 E18 A245 Q312 F314P15-L257 HydrophobicContact CB-CD2 4.28Å; I16-L257 PolarHBondContact O-N 2.89Å; P17-L257 CarbonylContact C-O 3.58Å; P17-L257 WeakPolarHBondContact CA-O 3.25Å; E18-L257 PolarHBondContact N-O 3.43Å; A245-L257 HydrophobicContact CB-CD1 4.35Å; L257-Q312 HydrophobicContact CD1-CB 4Å; L257-Q312 HydrophobicContact CD2-CB 4.1Å; L257-F314 VanDerWaalsContact O-CD2 3.27Å; L257-F314 WeakPolarHBondContact O-CD2 3.45Å
258P98.2Very high95.8Very high2 Ų267.1 Ų67.11%0.01335%0.349CS..PPolyproline II helixtrans-72.9157.2-17529.7-35.2000111.5S241 Q244 Q256 F314S241-P258 VanDerWaalsContact CB-O 3.31Å; S241-P258 WeakPolarHBondContact CB-O 3.24Å; S241-P258 PolarHBondContact OG-O 3.41Å; Q244-P258 HydrophobicContact CB-CG 3.54Å; Q244-P258 HydrophobicContact CG-CG 4.39Å; Q256-P258 WeakPolarHBondContact O-CD 3.45Å; P258-F314 VanDerWaalsContact C-CD2 3.43Å; P258-F314 WeakPolarHBondContact O-CD2 3.39Å
259P98.4Very high95.8Very high50 Ų5067.3 Ų67.333%0.32536%0.356SS..PPolyproline II helixtrans-62150.9171.927.5-34.9000111.4Q244 F314Q244-P259 PolarHBondContact NE2-O 3.13Å; P259-F314 VanDerWaalsContact CA-CD2 3.46Å; P259-F314 HydrophobicContact CB-CD1 4.29Å; P259-F314 HydrophobicContact CB-CD2 4.19Å; P259-F314 HydrophobicContact CB-CE1 4.1Å; P259-F314 HydrophobicContact CB-CE2 3.98Å; P259-F314 HydrophobicContact CB-CG 4.35Å; P259-F314 HydrophobicContact CB-CZ 3.94Å
260P98.5Very high96Very high26 Ų2667.9 Ų67.917%0.16937%0.365CS..PPolyproline II helixtrans-65145.6176.826.3-34000111.2F237 T240 S241F237-P260 HydrophobicContact CD1-CB 4.19Å; F237-P260 HydrophobicContact CD1-CG 4.21Å; F237-P260 HydrophobicContact CD2-CB 4.13Å; F237-P260 HydrophobicContact CE1-CB 3.89Å; F237-P260 HydrophobicContact CE1-CG 3.53Å; F237-P260 HydrophobicContact CE2-CB 3.81Å; F237-P260 HydrophobicContact CE2-CG 4.15Å; F237-P260 HydrophobicContact CG-CB 4.31Å; F237-P260 HydrophobicContact CZ-CB 3.69Å; F237-P260 HydrophobicContact CZ-CG 3.5Å; F237-P260 WeakPolarHBondContact O-CB 3.4Å; T240-P260 WeakPolarHBondContact OG1-CA 3.47Å; T240-P260 VanDerWaalsContact OG1-CB 3.31Å; T240-P260 WeakPolarHBondContact OG1-CB 3.22Å; S241-P260 WeakPolarHBondContact OG-CD 3.41Å
261I98.2Very high96.2Very high48 Ų4866 Ų6625%0.24637%0.373CS..  trans-116.9152.8178.363.4175.2000110.8F237 T240 Q244 N263 M264 F267F237-I261 WeakPolarHBondContact CD2-O 3.44Å; T240-I261 WeakPolarHBondContact CG2-O 3.31Å; T240-I261 PolarHBondContact OG1-N 3.25Å; T240-I261 PolarHBondContact OG1-O 3.02Å; Q244-I261 HydrophobicContact CG-CD1 4.19Å; Q244-I261 HydrophobicContact CG-CG1 4.47Å; I261-N263 VanDerWaalsContact C-N 3.34Å; I261-N263 PolarHBondContact O-N 2.9Å; I261-M264 HydrophobicContact CD1-SD 3.65Å; I261-M264 HydrophobicContact CG1-SD 3.8Å; I261-F267 HydrophobicContact CD1-CB 3.87Å; I261-F267 HydrophobicContact CD1-CD2 4.37Å; I261-F267 HydrophobicContact CD1-CG 4.21Å
262Q96.5Very high96.3Very high141 Ų14163.3 Ų63.366%0.65936%0.364SS*.SBendtrans-71.5-27.5-176.7-67.3-67.2-34.300113.3F237F237-Q262 HydrophobicContact CE2-CG 4.32Å
263N94.3Very high96.6Very high70 Ų7062.9 Ų62.937%0.37435%0.345SS..  trans-145.1113.3-175.2-172.3-6.9000111.8I261 D265I261-N263 VanDerWaalsContact C-N 3.34Å; I261-N263 PolarHBondContact O-N 2.9Å; N263-D265 VanDerWaalsContact OD1-CB 3.27Å; N263-D265 WeakPolarHBondContact OD1-CB 3.46Å; N263-D265 PolarHBondContact OD1-N 2.94Å
264M96.7Very high96.8Very high10 Ų1064.9 Ų64.95%0.04935%0.348CS..G310 helixtrans-75.8-20.7176.6-73.8-62.8-57.300113.9T240 Q243 Q244 V247 I261 Q266 F267 W268T240-M264 HydrophobicContact CG2-CG 3.71Å; T240-M264 HydrophobicContact CG2-SD 4.2Å; Q243-M264 HydrophobicContact CB-CE 3.79Å; Q243-M264 HydrophobicContact CB-SD 4.22Å; Q244-M264 HydrophobicContact CG-CE 3.98Å; Q244-M264 HydrophobicContact CG-SD 3.69Å; V247-M264 HydrophobicContact CG2-CE 4.5Å; I261-M264 HydrophobicContact CD1-SD 3.65Å; I261-M264 HydrophobicContact CG1-SD 3.8Å; M264-Q266 PolarHBondContact O-N 3.01Å; M264-Q266 VanDerWaalsContact O-N 3.15Å; M264-F267 HydrophobicContact CE-CB 4.32Å; M264-F267 HydrophobicContact CE-CD1 3.8Å; M264-F267 HydrophobicContact CE-CG 4.39Å; M264-F267 WeakPolarHBondContact O-CA 3.37Å; M264-F267 WeakPolarHBondContact O-CB 3.3Å; M264-F267 PolarHBondContact O-N 3.3Å; M264-W268 HydrophobicContact CB-CD2 3.94Å; M264-W268 HydrophobicContact CB-CE3 4.17Å; M264-W268 HydrophobicContact CB-CH2 3.62Å; M264-W268 HydrophobicContact CB-CZ2 3.35Å; M264-W268 HydrophobicContact CB-CZ3 4.03Å; M264-W268 HydrophobicContact CE-CD2 3.91Å; M264-W268 HydrophobicContact CE-CE3 3.34Å; M264-W268 HydrophobicContact CE-CH2 4.32Å; M264-W268 HydrophobicContact CE-CZ3 3.59Å; M264-W268 HydrophobicContact CG-CH2 3.96Å; M264-W268 HydrophobicContact CG-CZ2 4.21Å; M264-W268 HydrophobicContact CG-CZ3 4.17Å; M264-W268 PolarHBondContact O-N 2.79Å; M264-W268 VanDerWaalsContact O-N 3.08Å; M264-W268 PolarHBondContact O-NE1 2.91Å
265D95Very high97.1Very high105 Ų10561.8 Ų61.856%0.56133%0.331SS*.G310 helixtrans-66.3-18.5-177.2-63.2-24.8000112.9N263 W268N263-D265 VanDerWaalsContact OD1-CB 3.27Å; N263-D265 WeakPolarHBondContact OD1-CB 3.46Å; N263-D265 PolarHBondContact OD1-N 2.94Å; D265-W268 PolarHBondContact OD1-NE1 3.39Å
266Q93.6Very high97.2Very high172 Ų17260.2 Ų60.280%0.80431%0.314SS*.G310 helixtrans-88.2-9.9172.6-62.3-176.9300113.1M264M264-Q266 PolarHBondContact O-N 3.01Å; M264-Q266 VanDerWaalsContact O-N 3.15Å
267F97.4Very high97.2Very high53 Ų5361.9 Ų61.923%0.23232%0.322CS..THydrogen-bonded Turntrans-104.7-43-173.8-172.3-94.4000112.8Q244 V247 K248 R251 I261 M264Q244-F267 HydrophobicContact CB-CE1 4.1Å; Q244-F267 HydrophobicContact CB-CZ 4.32Å; Q244-F267 HydrophobicContact CG-CD1 4.11Å; Q244-F267 HydrophobicContact CG-CE1 3.99Å; Q244-F267 HydrophobicContact CG-CG 4.44Å; Q244-F267 HydrophobicContact CG-CZ 4.23Å; V247-F267 HydrophobicContact CB-CD1 4.3Å; V247-F267 HydrophobicContact CB-CE1 3.78Å; V247-F267 HydrophobicContact CG1-CD1 4.08Å; V247-F267 HydrophobicContact CG1-CE1 3.6Å; V247-F267 HydrophobicContact CG2-CD1 4.32Å; V247-F267 HydrophobicContact CG2-CE1 4.27Å; K248-F267 HydrophobicContact CG-CZ 4.28Å; R251-F267 PolarHBondContact NH2-O 3.07Å; I261-F267 HydrophobicContact CD1-CB 3.87Å; I261-F267 HydrophobicContact CD1-CD2 4.37Å; I261-F267 HydrophobicContact CD1-CG 4.21Å; M264-F267 HydrophobicContact CE-CB 4.32Å; M264-F267 HydrophobicContact CE-CD1 3.8Å; M264-F267 HydrophobicContact CE-CG 4.39Å; M264-F267 WeakPolarHBondContact O-CA 3.37Å; M264-F267 WeakPolarHBondContact O-CB 3.3Å; M264-F267 PolarHBondContact O-N 3.3Å
268W97.8Very high97.1Very high22 Ų2265.3 Ų65.38%0.08334%0.338CS..SBendtrans-99.3152.6178.855.833.2000112.7Q243 V247 M264 D265 E272 Q273 V276Q243-W268 HydrophobicContact CB-CZ3 3.93Å; Q243-W268 HydrophobicContact CG-CZ3 4.19Å; V247-W268 HydrophobicContact CG2-CB 4.09Å; V247-W268 HydrophobicContact CG2-CE3 4.16Å; M264-W268 HydrophobicContact CB-CD2 3.94Å; M264-W268 HydrophobicContact CB-CE3 4.17Å; M264-W268 HydrophobicContact CB-CH2 3.62Å; M264-W268 HydrophobicContact CB-CZ2 3.35Å; M264-W268 HydrophobicContact CB-CZ3 4.03Å; M264-W268 HydrophobicContact CE-CD2 3.91Å; M264-W268 HydrophobicContact CE-CE3 3.34Å; M264-W268 HydrophobicContact CE-CH2 4.32Å; M264-W268 HydrophobicContact CE-CZ3 3.59Å; M264-W268 HydrophobicContact CG-CH2 3.96Å; M264-W268 HydrophobicContact CG-CZ2 4.21Å; M264-W268 HydrophobicContact CG-CZ3 4.17Å; M264-W268 PolarHBondContact O-N 2.79Å; M264-W268 VanDerWaalsContact O-N 3.08Å; M264-W268 PolarHBondContact O-NE1 2.91Å; D265-W268 PolarHBondContact OD1-NE1 3.39Å; W268-E272 HydrophobicContact CB-CB 3.96Å; W268-Q273 HydrophobicContact CD2-CB 3.75Å; W268-Q273 HydrophobicContact CD2-CG 4.04Å; W268-Q273 HydrophobicContact CE3-CB 4.37Å; W268-Q273 HydrophobicContact CG-CB 3.81Å; W268-Q273 HydrophobicContact CH2-CG 4.3Å; W268-Q273 HydrophobicContact CZ2-CB 4.37Å; W268-Q273 HydrophobicContact CZ2-CG 3.71Å; W268-V276 HydrophobicContact CZ3-CB 4.47Å; W268-V276 HydrophobicContact CZ3-CG1 4.14Å
269S97.3Very high97.1Very high49 Ų4965.8 Ų65.834%0.34334%0.342SS..  trans-78.2162.5160.163.90000110.7S271 E272 Q273S269-S271 PolarHBondContact O-N 2.86Å; S269-E272 WeakPolarHBondContact CB-OE2 3.5Å; S269-E272 PolarHBondContact N-OE2 3.23Å; S269-E272 PolarHBondContact O-N 3.47Å; S269-E272 VanDerWaalsContact O-N 3.1Å; S269-E272 VanDerWaalsContact OG-CG 3.28Å; S269-E272 WeakPolarHBondContact OG-CG 3.33Å; S269-E272 PolarHBondContact OG-N 3.01Å; S269-E272 PolarHBondContact OG-OE2 2.86Å; S269-Q273 PolarHBondContact O-N 2.95Å
270P96.5Very high97.1Very high107 Ų10763.8 Ų63.870%0.69533%0.328SS*.Hα-helixtrans-56-33.8175.8-28.336000114.2Y274P270-Y274 PolarHBondContact O-N 2.96Å; P270-Y274 VanDerWaalsContact O-N 3.08Å
271S97.3Very high97Very high95 Ų9566 Ų6666%0.66434%0.344SS*.Hα-helixtrans-70.9-41177-179.60000112.1S269 G275S269-S271 PolarHBondContact O-N 2.86Å; S271-G275 PolarHBondContact O-N 2.9Å
272E97.9Very high97Very high34 Ų3464.8 Ų64.816%0.15934%0.338CS..Hα-helixtrans-66.4-43.1175.5-72168136.700111.2R251 W268 S269 Y274 G275 V276R251-E272 IonicContact CZ-OE1 3.92Å; R251-E272 VanDerWaalsContact CZ-OE1 3.31Å; R251-E272 IonicContact CZ-OE2 2.8Å; R251-E272 IonicContact NE-OE1 3.08Å; R251-E272 PolarHBondContact NE-OE1 3.18Å; R251-E272 IonicContact NE-OE2 2.87Å; R251-E272 VanDerWaalsContact NH2-CD 3.32Å; R251-E272 IonicContact NH2-OE1 3.31Å; R251-E272 PolarHBondContact NH2-OE1 3.25Å; R251-E272 VanDerWaalsContact NH2-OE1 3.08Å; R251-E272 IonicContact NH2-OE2 3.85Å; R251-E272 PolarHBondContact NH2-OE2 2.83Å; W268-E272 HydrophobicContact CB-CB 3.96Å; S269-E272 WeakPolarHBondContact CB-OE2 3.5Å; S269-E272 PolarHBondContact N-OE2 3.23Å; S269-E272 PolarHBondContact O-N 3.47Å; S269-E272 VanDerWaalsContact O-N 3.1Å; S269-E272 VanDerWaalsContact OG-CG 3.28Å; S269-E272 WeakPolarHBondContact OG-CG 3.33Å; S269-E272 PolarHBondContact OG-N 3.01Å; S269-E272 PolarHBondContact OG-OE2 2.86Å; E272-Y274 PolarHBondContact O-N 3.09Å; E272-G275 PolarHBondContact O-N 3.49Å; E272-V276 WeakPolarHBondContact O-CB 3.23Å; E272-V276 VanDerWaalsContact O-CG2 3.23Å; E272-V276 WeakPolarHBondContact O-CG2 3.41Å; E272-V276 PolarHBondContact O-N 2.79Å
273Q98Very high97.1Very high55 Ų5559 Ų5926%0.25731%0.313SS..Hα-helixtrans-53.8-54.5174.2179.2178.314.500111.2W268 S269 G275 V276 Q277W268-Q273 HydrophobicContact CD2-CB 3.75Å; W268-Q273 HydrophobicContact CD2-CG 4.04Å; W268-Q273 HydrophobicContact CE3-CB 4.37Å; W268-Q273 HydrophobicContact CG-CB 3.81Å; W268-Q273 HydrophobicContact CH2-CG 4.3Å; W268-Q273 HydrophobicContact CZ2-CB 4.37Å; W268-Q273 HydrophobicContact CZ2-CG 3.71Å; S269-Q273 PolarHBondContact O-N 2.95Å; Q273-G275 VanDerWaalsContact C-N 3.3Å; Q273-G275 PolarHBondContact O-N 3.13Å; Q273-V276 PolarHBondContact O-N 2.96Å; Q273-Q277 HydrophobicContact CG-CG 4.42Å; Q273-Q277 WeakPolarHBondContact O-CB 3.21Å; Q273-Q277 VanDerWaalsContact O-CG 3.3Å; Q273-Q277 WeakPolarHBondContact O-CG 3.35Å; Q273-Q277 PolarHBondContact O-N 2.76Å
274Y97.6Very high97.3Very high153 Ų15356.5 Ų56.560%0.630%0.3SS*.Hα-helixtrans-56-47178.9177.4-97.5000111.4P270 E272 V276 Q277 Q278P270-Y274 PolarHBondContact O-N 2.96Å; P270-Y274 VanDerWaalsContact O-N 3.08Å; E272-Y274 PolarHBondContact O-N 3.09Å; Y274-V276 PolarHBondContact O-N 3.28Å; Y274-Q277 PolarHBondContact O-N 3.39Å; Y274-Q278 PolarHBondContact O-N 2.83Å
275G97.4Very high97.4Very high4 Ų456.8 Ų56.84%0.04130%0.302CS..Hα-helixtrans-61.4-45.1178.800000113.4R250 S271 E272 Q273 Q278 A279R250-G275 VanDerWaalsContact CZ-C 3.49Å; R250-G275 PolarHBondContact NH2-O 3.46Å; S271-G275 PolarHBondContact O-N 2.9Å; E272-G275 PolarHBondContact O-N 3.49Å; Q273-G275 VanDerWaalsContact C-N 3.3Å; Q273-G275 PolarHBondContact O-N 3.13Å; G275-Q278 PolarHBondContact O-N 3.42Å; G275-A279 WeakPolarHBondContact O-CB 3.49Å; G275-A279 PolarHBondContact O-N 3.1Å
276V98Very high97.5Very high0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-64.7-43.91781720000110.7Q243 F246 V247 W268 E272 Q273 Y274 Q278 A279 L280Q243-V276 HydrophobicContact CB-CG1 4.18Å; Q243-V276 HydrophobicContact CG-CG1 4.17Å; F246-V276 HydrophobicContact CB-CG1 4.23Å; F246-V276 HydrophobicContact CB-CG2 4.02Å; V247-V276 HydrophobicContact CG2-CG2 3.68Å; W268-V276 HydrophobicContact CZ3-CB 4.47Å; W268-V276 HydrophobicContact CZ3-CG1 4.14Å; E272-V276 WeakPolarHBondContact O-CB 3.23Å; E272-V276 VanDerWaalsContact O-CG2 3.23Å; E272-V276 WeakPolarHBondContact O-CG2 3.41Å; E272-V276 PolarHBondContact O-N 2.79Å; Q273-V276 PolarHBondContact O-N 2.96Å; Y274-V276 PolarHBondContact O-N 3.28Å; V276-Q278 VanDerWaalsContact C-N 3.32Å; V276-Q278 PolarHBondContact O-N 3.06Å; V276-A279 PolarHBondContact O-N 3.3Å; V276-L280 HydrophobicContact CG1-CD1 3.76Å; V276-L280 HydrophobicContact CG1-CG 4.42Å; V276-L280 WeakPolarHBondContact O-CB 3.43Å; V276-L280 WeakPolarHBondContact O-CG 3.44Å; V276-L280 PolarHBondContact O-N 3.23Å
277Q97.6Very high97.8Very high98 Ų9845.6 Ų45.646%0.45825%0.248SC..Hα-helixtrans-61.3-40.2177-74.2176.3-11.200112Q273 Y274 L280 S281Q273-Q277 HydrophobicContact CG-CG 4.42Å; Q273-Q277 WeakPolarHBondContact O-CB 3.21Å; Q273-Q277 VanDerWaalsContact O-CG 3.3Å; Q273-Q277 WeakPolarHBondContact O-CG 3.35Å; Q273-Q277 PolarHBondContact O-N 2.76Å; Y274-Q277 PolarHBondContact O-N 3.39Å; Q277-L280 CarbonylContact O-C 3.46Å; Q277-S281 VanDerWaalsContact O-CA 3.3Å; Q277-S281 WeakPolarHBondContact O-CA 3.3Å; Q277-S281 WeakPolarHBondContact O-CB 3.38Å; Q277-S281 PolarHBondContact O-N 2.8Å
278Q97.4Very high97.8Very high78 Ų7846.3 Ų46.336%0.36425%0.251SS..Hα-helixtrans-63.8-50.4174.8-173.2-177-5.400111.4P195 D196 Y274 G275 V276 L280 S281P195-Q278 WeakPolarHBondContact CG-O 3.41Å; D196-Q278 PolarHBondContact OD1-NE2 3.45Å; D196-Q278 PolarHBondContact OD2-NE2 3.37Å; Y274-Q278 PolarHBondContact O-N 2.83Å; G275-Q278 PolarHBondContact O-N 3.42Å; V276-Q278 VanDerWaalsContact C-N 3.32Å; V276-Q278 PolarHBondContact O-N 3.06Å; Q278-L280 PolarHBondContact O-N 3.37Å; Q278-S281 WeakPolarHBondContact O-CB 3.32Å; Q278-S281 PolarHBondContact O-N 2.88Å; Q278-S281 PolarHBondContact O-OG 2.8Å
279A97.5Very high97.8Very high11 Ų1147 Ų479%0.09126%0.261CS..Hα-helixtrans-62.6-31.3-178.700000113.2F193 P195 F246 G275 V276F193-A279 CarbonylContact C-O 3.48Å; F193-A279 VanDerWaalsContact C-O 3.28Å; F193-A279 WeakPolarHBondContact CA-O 3.32Å; P195-A279 WeakPolarHBondContact CD-O 3.28Å; F246-A279 HydrophobicContact CD1-CB 4.04Å; F246-A279 HydrophobicContact CE1-CB 4Å; G275-A279 WeakPolarHBondContact O-CB 3.49Å; G275-A279 PolarHBondContact O-N 3.1Å; V276-A279 PolarHBondContact O-N 3.3Å
280L98Very high97.8Very high8 Ų849 Ų494%0.04226%0.264CS..THydrogen-bonded Turntrans-104.816.4-179.4-60.7-179.9000113F239 M242 Q243 F246 V276 Q277 Q278 M282 S283F239-L280 HydrophobicContact CE2-CD1 3.95Å; F239-L280 HydrophobicContact CZ-CB 4Å; F239-L280 HydrophobicContact CZ-CD1 3.66Å; F239-L280 HydrophobicContact CZ-CG 4.41Å; M242-L280 HydrophobicContact CG-CD1 4.23Å; M242-L280 HydrophobicContact CG-CD2 4.45Å; M242-L280 HydrophobicContact SD-CD1 4.31Å; M242-L280 HydrophobicContact SD-CD2 3.86Å; Q243-L280 HydrophobicContact CG-CD1 4.2Å; F246-L280 HydrophobicContact CD1-CD2 4.26Å; F246-L280 HydrophobicContact CD1-CG 4.33Å; F246-L280 HydrophobicContact CD2-CD1 4.25Å; F246-L280 HydrophobicContact CD2-CD2 4.12Å; F246-L280 HydrophobicContact CE1-CD2 3.82Å; F246-L280 HydrophobicContact CE1-CG 4.32Å; F246-L280 HydrophobicContact CE2-CD2 3.68Å; F246-L280 HydrophobicContact CG-CD1 4.3Å; F246-L280 HydrophobicContact CG-CD2 4.39Å; F246-L280 HydrophobicContact CG-CG 4.41Å; F246-L280 HydrophobicContact CZ-CD2 3.5Å; F246-L280 VanDerWaalsContact CZ-CD2 3.5Å; F246-L280 HydrophobicContact CZ-CG 4.41Å; V276-L280 HydrophobicContact CG1-CD1 3.76Å; V276-L280 HydrophobicContact CG1-CG 4.42Å; V276-L280 WeakPolarHBondContact O-CB 3.43Å; V276-L280 WeakPolarHBondContact O-CG 3.44Å; V276-L280 PolarHBondContact O-N 3.23Å; Q277-L280 CarbonylContact O-C 3.46Å; Q278-L280 PolarHBondContact O-N 3.37Å; L280-M282 PolarHBondContact O-N 2.62Å; L280-M282 VanDerWaalsContact O-N 3.13Å; L280-S283 WeakPolarHBondContact O-CB 3.43Å; L280-S283 PolarHBondContact O-N 2.75Å; L280-S283 PolarHBondContact O-OG 3.24Å
281S97.5Very high97.9Very high73 Ų7344 Ų4451%0.5123%0.231SC..THydrogen-bonded Turntrans-63.9-20.6-173.252.70000114.4P195 Q277 Q278 S283P195-S281 WeakPolarHBondContact CG-OG 3.34Å; Q277-S281 VanDerWaalsContact O-CA 3.3Å; Q277-S281 WeakPolarHBondContact O-CA 3.3Å; Q277-S281 WeakPolarHBondContact O-CB 3.38Å; Q277-S281 PolarHBondContact O-N 2.8Å; Q278-S281 WeakPolarHBondContact O-CB 3.32Å; Q278-S281 PolarHBondContact O-N 2.88Å; Q278-S281 PolarHBondContact O-OG 2.8Å; S281-S283 VanDerWaalsContact C-N 3.29Å; S281-S283 PolarHBondContact O-N 3.4Å
282M97.1Very high97.9Very high23 Ų2343.2 Ų43.211%0.11321%0.213CC..THydrogen-bonded Turntrans-90.817.9173.9-66.5-65.2-62.100113.2P195 L198 I224 L280 I298P195-M282 HydrophobicContact CB-CB 4.34Å; P195-M282 HydrophobicContact CB-CG 3.48Å; P195-M282 VanDerWaalsContact CB-CG 3.48Å; P195-M282 HydrophobicContact CG-CG 4.49Å; L198-M282 HydrophobicContact CD2-CE 3.59Å; L198-M282 HydrophobicContact CD2-CG 4.38Å; L198-M282 HydrophobicContact CD2-SD 4.11Å; I224-M282 WeakPolarHBondContact CB-O 3.42Å; I224-M282 HydrophobicContact CG2-CE 4.3Å; L280-M282 PolarHBondContact O-N 2.62Å; L280-M282 VanDerWaalsContact O-N 3.13Å; M282-I298 HydrophobicContact CE-CB 4.46Å; M282-I298 HydrophobicContact CE-CD1 3.83Å; M282-I298 HydrophobicContact CE-CG1 3.74Å; M282-I298 HydrophobicContact CE-CG2 4.03Å
283S98.6Very high97.9Very high20 Ų2046.8 Ų46.814%0.1423%0.23CC..EExtended strand (participates in β ladder)trans-86.5130.9176.9-51.40000111.2N225 L280 S281N225-S283 PolarHBondContact ND2-OG 3.26Å; N225-S283 WeakPolarHBondContact O-CA 3.26Å; L280-S283 WeakPolarHBondContact O-CB 3.43Å; L280-S283 PolarHBondContact O-N 2.75Å; L280-S283 PolarHBondContact O-OG 3.24Å; S281-S283 VanDerWaalsContact C-N 3.29Å; S281-S283 PolarHBondContact O-N 3.4Å
284L98.5Very high97.9Very high17 Ų1745 Ų459%0.08923%0.227CC..EExtended strand (participates in β ladder)trans-96.9110.1170.9-56.8-174.5000109.2I224 N225 I226 I227 V291 L295 I298I224-L284 HydrophobicContact CD1-CD1 3.88Å; I224-L284 HydrophobicContact CD1-CG 4.27Å; N225-L284 PolarHBondContact O-N 3.2Å; I226-L284 WeakPolarHBondContact CA-O 3.48Å; I226-L284 HydrophobicContact CD1-CD1 4.42Å; I226-L284 HydrophobicContact CG1-CB 4.29Å; I226-L284 HydrophobicContact CG1-CD1 4.44Å; I227-L284 PolarHBondContact N-O 3.23Å; L284-V291 HydrophobicContact CB-CG1 4.45Å; L284-V291 HydrophobicContact CD1-CG1 4.38Å; L284-L295 HydrophobicContact CD1-CB 3.83Å; L284-I298 HydrophobicContact CD1-CD1 4.01Å; L284-I298 HydrophobicContact CD2-CD1 3.65Å; L284-I298 HydrophobicContact CG-CD1 3.88Å
285V98.8Very high97.8Very high16 Ų1637.8 Ų37.810%0.09720%0.199CC..EExtended strand (participates in β ladder)trans-125.9112.9-174.3-176.10000109.6I227 A235 E236 F239 K290I227-V285 HydrophobicContact CB-CG1 4.24Å; I227-V285 HydrophobicContact CB-CG2 4.18Å; I227-V285 HydrophobicContact CG1-CG2 4.27Å; I227-V285 WeakPolarHBondContact O-CA 3.31Å; A235-V285 HydrophobicContact CB-CG1 3.97Å; A235-V285 WeakPolarHBondContact O-CG1 3.35Å; E236-V285 HydrophobicContact CG-CG1 4.12Å; F239-V285 HydrophobicContact CB-CG1 3.86Å; F239-V285 HydrophobicContact CB-CG2 4.31Å; F239-V285 HydrophobicContact CD1-CG1 4.24Å; F239-V285 HydrophobicContact CD1-CG2 3.79Å; F239-V285 HydrophobicContact CD2-CG2 3.99Å; F239-V285 HydrophobicContact CE1-CG2 3.96Å; F239-V285 HydrophobicContact CE2-CG2 4.16Å; F239-V285 HydrophobicContact CG-CG1 4.17Å; F239-V285 HydrophobicContact CG-CG2 3.78Å; F239-V285 HydrophobicContact CZ-CG2 4.14Å; V285-K290 VanDerWaalsContact O-CD 3.29Å; V285-K290 WeakPolarHBondContact O-CD 3.3Å; V285-K290 WeakPolarHBondContact O-CE 3.28Å; V285-K290 PolarHBondContact O-NZ 3.07Å
286G98.7Very high97.8Very high0 Ų041.4 Ų41.40%021%0.214CC..EExtended strand (participates in β ladder)trans165.5-168.3-179.900000115.9I227 A228 A229 N232I227-G286 PolarHBondContact O-N 2.87Å; I227-G286 VanDerWaalsContact O-N 3.11Å; A228-G286 VanDerWaalsContact CA-O 3.28Å; A228-G286 WeakPolarHBondContact CA-O 3.46Å; A229-G286 PolarHBondContact N-O 2.94Å; A229-G286 VanDerWaalsContact N-O 3.15Å; N232-G286 WeakPolarHBondContact OD1-CA 3.26Å
287D98.6Very high97.7Very high41 Ų4143.1 Ų43.122%0.21923%0.226CC..SBendtrans-70174.1165.763.738.8000112.1A229 N232 A289 K290 V291A229-D287 WeakPolarHBondContact O-CA 3.27Å; N232-D287 PolarHBondContact ND2-OD2 2.9Å; N232-D287 PolarHBondContact OD1-N 3.08Å; N232-D287 PolarHBondContact OD1-OD2 3.21Å; D287-A289 PolarHBondContact O-N 2.92Å; D287-A289 WeakPolarHBondContact OD1-CA 3.44Å; D287-A289 WeakPolarHBondContact OD1-CB 3.36Å; D287-A289 PolarHBondContact OD1-N 2.92Å; D287-K290 PolarHBondContact O-N 3.38Å; D287-K290 PolarHBondContact OD1-N 2.79Å; D287-V291 WeakPolarHBondContact O-CG2 3.46Å; D287-V291 PolarHBondContact O-N 2.88Å
288K97.9Very high97.7Very high68 Ų6838.9 Ų38.930%0.29621%0.207SC..Hα-helixtrans-52.7-38.1178-69.6-156.8-67.9169.70113.2R292 L325 D328 V329 E332K288-R292 WeakPolarHBondContact O-CB 3.37Å; K288-R292 PolarHBondContact O-N 2.88Å; K288-L325 HydrophobicContact CD-CD2 3.78Å; K288-L325 HydrophobicContact CG-CB 4.39Å; K288-L325 HydrophobicContact CG-CD2 3.8Å; K288-D328 HydrophobicContact CD-CB 4Å; K288-V329 HydrophobicContact CB-CG2 3.9Å; K288-V329 HydrophobicContact CD-CG2 4.37Å; K288-V329 HydrophobicContact CG-CG2 4.1Å; K288-V329 WeakPolarHBondContact O-CG2 3.34Å; K288-E332 IonicContact NZ-OE1 3.07Å; K288-E332 PolarHBondContact NZ-OE1 2.71Å
289A97.8Very high97.6Very high37 Ų3736.5 Ų36.531%0.30620%0.196SC..Hα-helixtrans-68.5-45.8-178.300000111.4D287 R292 H293D287-A289 PolarHBondContact O-N 2.92Å; D287-A289 WeakPolarHBondContact OD1-CA 3.44Å; D287-A289 WeakPolarHBondContact OD1-CB 3.36Å; D287-A289 PolarHBondContact OD1-N 2.92Å; A289-R292 PolarHBondContact O-N 3.31Å; A289-H293 PolarHBondContact O-CD2 2.71Å; A289-H293 PolarHBondContact O-N 3.11Å
290K98.3Very high97.5Very high92 Ų9243.9 Ų43.940%0.422%0.222SC..Hα-helixtrans-65.6-43.1177.6-171.3172.3175.3-158.40111.6N232 E236 V285 D287 H293 G294N232-K290 VanDerWaalsContact OD1-CD 3.24Å; N232-K290 WeakPolarHBondContact OD1-CD 3.49Å; E236-K290 IonicContact OE1-NZ 3.97Å; E236-K290 PolarHBondContact OE1-NZ 3.21Å; E236-K290 VanDerWaalsContact OE1-NZ 3.13Å; V285-K290 VanDerWaalsContact O-CD 3.29Å; V285-K290 WeakPolarHBondContact O-CD 3.3Å; V285-K290 WeakPolarHBondContact O-CE 3.28Å; V285-K290 PolarHBondContact O-NZ 3.07Å; D287-K290 PolarHBondContact O-N 3.38Å; D287-K290 PolarHBondContact OD1-N 2.79Å; K290-H293 PolarHBondContact O-N 2.73Å; K290-G294 PolarHBondContact O-N 2.91Å
291V98.5Very high97.4Very high0 Ų048.7 Ų48.70%024%0.244CC..Hα-helixtrans-62-44.9176.4174.30000110.8I226 A228 L284 D287 H293 G294 L295 V329I226-V291 HydrophobicContact CD1-CG1 4.32Å; I226-V291 HydrophobicContact CG2-CG1 3.99Å; I226-V291 HydrophobicContact CG2-CG2 4.42Å; A228-V291 HydrophobicContact CB-CG2 4.05Å; L284-V291 HydrophobicContact CB-CG1 4.45Å; L284-V291 HydrophobicContact CD1-CG1 4.38Å; D287-V291 WeakPolarHBondContact O-CG2 3.46Å; D287-V291 PolarHBondContact O-N 2.88Å; V291-H293 PolarHBondContact O-N 2.98Å; V291-G294 PolarHBondContact O-N 2.92Å; V291-L295 VanDerWaalsContact O-CB 3.26Å; V291-L295 WeakPolarHBondContact O-CB 3.4Å; V291-L295 PolarHBondContact O-N 2.91Å; V291-V329 HydrophobicContact CB-CG2 4.41Å; V291-V329 HydrophobicContact CG1-CG1 4.29Å; V291-V329 HydrophobicContact CG1-CG2 4.28Å
292R97.3Very high97.4Very high79 Ų7945.2 Ų45.230%0.29822%0.22SC..Hα-helixtrans-59-48.1176.6-178.9176.348.6176.1-8.5112.8K288 A289 G294 L295 Q296 V329 E332 L333K288-R292 WeakPolarHBondContact O-CB 3.37Å; K288-R292 PolarHBondContact O-N 2.88Å; A289-R292 PolarHBondContact O-N 3.31Å; R292-G294 VanDerWaalsContact C-N 3.35Å; R292-G294 PolarHBondContact O-N 3Å; R292-L295 PolarHBondContact O-N 3.35Å; R292-Q296 WeakPolarHBondContact O-CG 3.4Å; R292-Q296 PolarHBondContact O-N 3.3Å; R292-V329 VanDerWaalsContact CA-CG1 3.49Å; R292-V329 HydrophobicContact CB-CG1 3.68Å; R292-V329 HydrophobicContact CB-CG2 4.42Å; R292-V329 HydrophobicContact CG-CG1 4.21Å; R292-E332 IonicContact CZ-OE2 2.92Å; R292-E332 IonicContact NH1-OE2 3.84Å; R292-L333 HydrophobicContact CG-CD2 3.79Å; R292-L333 HydrophobicContact CG-CG 4.28Å
293H96.8Very high97.4Very high109 Ų10948.7 Ų48.751%0.50524%0.239SC..Hα-helixtrans-63.8-40.4178.4-74-49.5000112.7A289 K290 V291 S297A289-H293 PolarHBondContact O-CD2 2.71Å; A289-H293 PolarHBondContact O-N 3.11Å; K290-H293 PolarHBondContact O-N 2.73Å; V291-H293 PolarHBondContact O-N 2.98Å; H293-S297 PolarHBondContact O-N 2.72Å; H293-S297 VanDerWaalsContact O-N 3.17Å; H293-S297 PolarHBondContact O-OG 3.47Å
294G97.5Very high97.3Very high19 Ų1948 Ų4820%0.19623%0.234CC..Hα-helixtrans-63.8-45.517500000111.9K290 V291 R292 Q296 S297 I298K290-G294 PolarHBondContact O-N 2.91Å; V291-G294 PolarHBondContact O-N 2.92Å; R292-G294 VanDerWaalsContact C-N 3.35Å; R292-G294 PolarHBondContact O-N 3Å; G294-Q296 PolarHBondContact O-N 3.27Å; G294-S297 WeakPolarHBondContact O-CB 3.23Å; G294-S297 PolarHBondContact O-N 3.45Å; G294-S297 VanDerWaalsContact O-N 3.12Å; G294-I298 WeakPolarHBondContact O-CG1 3.48Å; G294-I298 PolarHBondContact O-N 3.07Å
295L96.9Very high97.3Very high1 Ų148.5 Ų48.51%0.00524%0.237CC..Hα-helixtrans-62.1-44.9178.3179.962.3000112F8 I224 L284 V291 R292 S297 I298 L299 I307 V329 L333F8-L295 HydrophobicContact CE1-CD1 4.14Å; F8-L295 HydrophobicContact CE1-CD2 4.15Å; F8-L295 HydrophobicContact CE2-CD2 4.27Å; F8-L295 HydrophobicContact CZ-CD1 3.69Å; F8-L295 HydrophobicContact CZ-CD2 3.4Å; F8-L295 VanDerWaalsContact CZ-CD2 3.4Å; F8-L295 HydrophobicContact CZ-CG 4.18Å; I224-L295 HydrophobicContact CD1-CD1 4.38Å; L284-L295 HydrophobicContact CD1-CB 3.83Å; V291-L295 VanDerWaalsContact O-CB 3.26Å; V291-L295 WeakPolarHBondContact O-CB 3.4Å; V291-L295 PolarHBondContact O-N 2.91Å; R292-L295 PolarHBondContact O-N 3.35Å; L295-S297 PolarHBondContact O-N 3.39Å; L295-I298 PolarHBondContact O-N 3.02Å; L295-L299 HydrophobicContact CD1-CD1 4.13Å; L295-L299 HydrophobicContact CD1-CG 4.14Å; L295-L299 HydrophobicContact CG-CD1 3.92Å; L295-L299 HydrophobicContact CG-CG 4.38Å; L295-L299 WeakPolarHBondContact O-CB 3.47Å; L295-L299 VanDerWaalsContact O-CG 3.24Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.17Å; L295-I307 HydrophobicContact CD1-CG1 4.3Å; L295-V329 HydrophobicContact CD2-CG1 3.86Å; L295-L333 HydrophobicContact CD2-CD1 3.45Å; L295-L333 VanDerWaalsContact CD2-CD1 3.45Å; L295-L333 HydrophobicContact CG-CD1 3.92Å
296Q95.8Very high97.2Very high79 Ų7947.7 Ų47.737%0.36923%0.232SC..Hα-helixtrans-57-38.6173.8-75175.4-31.200112.1R292 G294 R300 L333R292-Q296 WeakPolarHBondContact O-CG 3.4Å; R292-Q296 PolarHBondContact O-N 3.3Å; G294-Q296 PolarHBondContact O-N 3.27Å; Q296-R300 VanDerWaalsContact O-CB 3.24Å; Q296-R300 WeakPolarHBondContact O-CB 3.37Å; Q296-R300 PolarHBondContact O-N 3.47Å; Q296-L333 HydrophobicContact CG-CD1 4.31Å; Q296-L333 HydrophobicContact CG-CD2 3.44Å; Q296-L333 VanDerWaalsContact CG-CD2 3.44Å
297S96.3Very high97.2Very high36 Ų3647.7 Ų47.725%0.25223%0.232SC..Hα-helixtrans-69.1-46.7177.8-58.60000111.7H293 G294 L295 L299 R300 E301H293-S297 PolarHBondContact O-N 2.72Å; H293-S297 VanDerWaalsContact O-N 3.17Å; H293-S297 PolarHBondContact O-OG 3.47Å; G294-S297 WeakPolarHBondContact O-CB 3.23Å; G294-S297 PolarHBondContact O-N 3.45Å; G294-S297 VanDerWaalsContact O-N 3.12Å; L295-S297 PolarHBondContact O-N 3.39Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 3.3Å; S297-R300 PolarHBondContact O-N 3.06Å; S297-R300 PolarHBondContact OG-NH2 3.27Å; S297-E301 WeakPolarHBondContact O-CB 3.21Å; S297-E301 VanDerWaalsContact O-CG 3.26Å; S297-E301 WeakPolarHBondContact O-CG 3.34Å; S297-E301 PolarHBondContact O-N 3.06Å
298I97Very high97.2Very high10 Ų1045.9 Ų45.95%0.05122%0.222CC..Hα-helixtrans-58-47.6175.8-68.4176.4000110.7I224 M282 L284 G294 L295 R300 E301 T302 I307I224-I298 HydrophobicContact CD1-CD1 3.94Å; I224-I298 HydrophobicContact CG2-CD1 4.09Å; I224-I298 HydrophobicContact CG2-CG2 4.36Å; M282-I298 HydrophobicContact CE-CB 4.46Å; M282-I298 HydrophobicContact CE-CD1 3.83Å; M282-I298 HydrophobicContact CE-CG1 3.74Å; M282-I298 HydrophobicContact CE-CG2 4.03Å; L284-I298 HydrophobicContact CD1-CD1 4.01Å; L284-I298 HydrophobicContact CD2-CD1 3.65Å; L284-I298 HydrophobicContact CG-CD1 3.88Å; G294-I298 WeakPolarHBondContact O-CG1 3.48Å; G294-I298 PolarHBondContact O-N 3.07Å; L295-I298 PolarHBondContact O-N 3.02Å; I298-R300 PolarHBondContact O-N 3.18Å; I298-E301 PolarHBondContact O-N 2.99Å; I298-T302 HydrophobicContact CG2-CG2 4.22Å; I298-T302 VanDerWaalsContact O-CB 3.28Å; I298-T302 WeakPolarHBondContact O-CB 3.43Å; I298-T302 VanDerWaalsContact O-CG2 3.3Å; I298-T302 WeakPolarHBondContact O-CG2 3.31Å; I298-T302 PolarHBondContact O-N 3.26Å; I298-T302 PolarHBondContact O-OG1 3.06Å; I298-I307 HydrophobicContact CG2-CD1 4.29Å
299L95.8Very high97.3Very high28 Ų2842.6 Ų42.615%0.14721%0.208CC..Hα-helixtrans-61.8-44179.3-69.4171000112.1I6 L295 S297 D303 A304 I307 L333I6-L299 HydrophobicContact CD1-CB 4.46Å; I6-L299 HydrophobicContact CD1-CD1 3.53Å; I6-L299 HydrophobicContact CD1-CD2 3.47Å; I6-L299 VanDerWaalsContact CD1-CD2 3.47Å; I6-L299 HydrophobicContact CD1-CG 3.98Å; I6-L299 HydrophobicContact CG1-CD2 4.25Å; I6-L299 HydrophobicContact CG2-CD2 4.05Å; L295-L299 HydrophobicContact CD1-CD1 4.13Å; L295-L299 HydrophobicContact CD1-CG 4.14Å; L295-L299 HydrophobicContact CG-CD1 3.92Å; L295-L299 HydrophobicContact CG-CG 4.38Å; L295-L299 WeakPolarHBondContact O-CB 3.47Å; L295-L299 VanDerWaalsContact O-CG 3.24Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.17Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 3.3Å; L299-D303 WeakPolarHBondContact O-CA 3.32Å; L299-D303 PolarHBondContact O-N 3.41Å; L299-A304 HydrophobicContact CD2-CB 4.45Å; L299-I307 HydrophobicContact CD2-CD1 3.9Å; L299-I307 HydrophobicContact CD2-CG1 3.73Å; L299-L333 HydrophobicContact CD1-CD1 4.33Å
300R95.4Very high97.3Very high166 Ų16641 Ų4163%0.62619%0.194SC*.Hα-helixtrans-64.2-40.3177.8-179.8-179.661.1-114.6-6.1112.6Q296 S297 I298Q296-R300 VanDerWaalsContact O-CB 3.24Å; Q296-R300 WeakPolarHBondContact O-CB 3.37Å; Q296-R300 PolarHBondContact O-N 3.47Å; S297-R300 PolarHBondContact O-N 3.06Å; S297-R300 PolarHBondContact OG-NH2 3.27Å; I298-R300 PolarHBondContact O-N 3.18Å
301E97Very high97.2Very high108 Ų10836.6 Ų36.651%0.50518%0.175SC..Hα-helixtrans-81.7-32.1-174.9-70.4166.5-157.200112.6F199 S297 I298F199-E301 HydrophobicContact CE1-CB 3.9Å; F199-E301 HydrophobicContact CZ-CB 4.24Å; S297-E301 WeakPolarHBondContact O-CB 3.21Å; S297-E301 VanDerWaalsContact O-CG 3.26Å; S297-E301 WeakPolarHBondContact O-CG 3.34Å; S297-E301 PolarHBondContact O-N 3.06Å; I298-E301 PolarHBondContact O-N 2.99Å
302T97.7Very high97.1Very high1 Ų137.9 Ų37.91%0.00618%0.181CC..Hα-helixtrans-98.5-21.4-175.664.60000113.5L198 F199 L202 R206 V222 I298 A304L198-T302 HydrophobicContact CD2-CG2 3.95Å; F199-T302 HydrophobicContact CE1-CG2 3.91Å; L202-T302 HydrophobicContact CD1-CG2 4.13Å; R206-T302 VanDerWaalsContact CZ-O 3.22Å; R206-T302 PolarHBondContact NH1-O 3.43Å; R206-T302 PolarHBondContact NH2-O 3.49Å; V222-T302 HydrophobicContact CG2-CG2 4.35Å; I298-T302 HydrophobicContact CG2-CG2 4.22Å; I298-T302 VanDerWaalsContact O-CB 3.28Å; I298-T302 WeakPolarHBondContact O-CB 3.43Å; I298-T302 VanDerWaalsContact O-CG2 3.3Å; I298-T302 WeakPolarHBondContact O-CG2 3.31Å; I298-T302 PolarHBondContact O-N 3.26Å; I298-T302 PolarHBondContact O-OG1 3.06Å; T302-A304 PolarHBondContact O-N 2.9Å; T302-A304 WeakPolarHBondContact OG1-CB 3.18Å; T302-A304 PolarHBondContact OG1-N 2.88Å
303D96.3Very high97.2Very high96 Ų9634.2 Ų34.251%0.51317%0.168SC..  trans49.738-169.4-168.934.1000111.9R206 L299R206-D303 VanDerWaalsContact NH2-C 3.28Å; R206-D303 PolarHBondContact NH2-O 3.49Å; L299-D303 WeakPolarHBondContact O-CA 3.32Å; L299-D303 PolarHBondContact O-N 3.41Å
304A97.4Very high97.3Very high4 Ų431.7 Ų31.73%0.03316%0.155CC..  trans-61.5136.7-178.200000111.2V222 L299 T302 I307V222-A304 HydrophobicContact CB-CB 4.08Å; V222-A304 HydrophobicContact CG2-CB 3.65Å; L299-A304 HydrophobicContact CD2-CB 4.45Å; T302-A304 PolarHBondContact O-N 2.9Å; T302-A304 WeakPolarHBondContact OG1-CB 3.18Å; T302-A304 PolarHBondContact OG1-N 2.88Å; A304-I307 HydrophobicContact CB-CD1 3.81Å
305D97.4Very high97.3Very high28 Ų2834.6 Ų34.615%0.1517%0.166CC..SBendtrans-83-26.1174-58.2-69.6000111.4K4 Y219 A220K4-D305 IonicContact NZ-OD1 3.11Å; K4-D305 PolarHBondContact NZ-OD1 2.92Å; Y219-D305 HydrophobicContact CD1-CB 4.18Å; Y219-D305 HydrophobicContact CD2-CB 3.96Å; Y219-D305 HydrophobicContact CE1-CB 4.05Å; Y219-D305 HydrophobicContact CE2-CB 3.84Å; Y219-D305 HydrophobicContact CG-CB 4.14Å; A220-D305 PolarHBondContact N-OD2 3.34Å; A220-D305 PolarHBondContact O-N 2.97Å
306E97.8Very high97.4Very high0 Ų035.4 Ų35.40%017%0.17CC..EExtended strand (participates in β ladder)trans-144.7143.6177.1-173.3170160.600110.5A7 S9 H42 R43 Y219 A220 M221 V222A7-E306 HydrophobicContact CB-CB 4.46Å; A7-E306 HydrophobicContact CB-CG 3.89Å; S9-E306 VanDerWaalsContact CB-OE1 3.25Å; S9-E306 WeakPolarHBondContact CB-OE1 3.23Å; S9-E306 PolarHBondContact OG-OE1 3.06Å; H42-E306 IonicContact CD2-OE1 3Å; H42-E306 IonicContact CD2-OE2 2.77Å; R43-E306 VanDerWaalsContact CD-OE1 3.25Å; R43-E306 WeakPolarHBondContact CD-OE1 3.27Å; R43-E306 IonicContact CZ-OE2 3.83Å; R43-E306 IonicContact NE-OE1 3.72Å; R43-E306 PolarHBondContact NE-OE1 3.34Å; R43-E306 VanDerWaalsContact NE-OE1 3.17Å; R43-E306 IonicContact NE-OE2 3.73Å; R43-E306 PolarHBondContact NE-OE2 3.14Å; R43-E306 IonicContact NH2-OE2 3.11Å; Y219-E306 HydrophobicContact CE1-CB 3.72Å; Y219-E306 WeakPolarHBondContact CE1-OE2 3.41Å; Y219-E306 PolarHBondContact OH-OE2 3.43Å; A220-E306 PolarHBondContact O-N 3.3Å; M221-E306 CarbonylContact C-O 3.23Å; M221-E306 VanDerWaalsContact CA-O 3.23Å; M221-E306 WeakPolarHBondContact CA-O 3.45Å; M221-E306 HydrophobicContact CB-CB 4.12Å; M221-E306 HydrophobicContact CE-CB 4.36Å; M221-E306 HydrophobicContact CE-CG 3.9Å; M221-E306 WeakPolarHBondContact CE-OE1 3.31Å; M221-E306 WeakPolarHBondContact CE-OE2 3.44Å; M221-E306 HydrophobicContact CG-CB 4Å; M221-E306 HydrophobicContact CG-CG 4.05Å; V222-E306 PolarHBondContact N-O 3.1Å
307I98.3Very high97.5Very high0 Ų037.7 Ų37.70%018%0.18CC..EExtended strand (participates in β ladder)trans-109.3129.7172.2-65.1-62.7000108.8I6 A7 F8 S9 V222 I224 L295 I298 L299 A304 V309I6-I307 HydrophobicContact CG2-CG1 4.11Å; A7-I307 PolarHBondContact O-N 2.85Å; F8-I307 CarbonylContact C-O 3.5Å; F8-I307 WeakPolarHBondContact CA-O 3.25Å; F8-I307 HydrophobicContact CD1-CB 3.9Å; F8-I307 HydrophobicContact CD1-CG2 4.42Å; F8-I307 HydrophobicContact CE1-CB 3.66Å; F8-I307 HydrophobicContact CE1-CG1 3.98Å; F8-I307 HydrophobicContact CE1-CG2 4Å; F8-I307 HydrophobicContact CZ-CB 4.3Å; F8-I307 HydrophobicContact CZ-CG2 4.13Å; S9-I307 PolarHBondContact N-O 2.84Å; V222-I307 HydrophobicContact CB-CD1 4.08Å; I224-I307 HydrophobicContact CD1-CG2 3.85Å; I224-I307 HydrophobicContact CG1-CG2 3.92Å; L295-I307 HydrophobicContact CD1-CG1 4.3Å; I298-I307 HydrophobicContact CG2-CD1 4.29Å; L299-I307 HydrophobicContact CD2-CD1 3.9Å; L299-I307 HydrophobicContact CD2-CG1 3.73Å; A304-I307 HydrophobicContact CB-CD1 3.81Å; I307-V309 HydrophobicContact CG2-CG1 3.92Å
308M98.7Very high97.6Very high2 Ų237 Ų371%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-108.2118.8170.3-178.3160.1-77.600110.2S9 L11 W45 M221 V222 C223 I224S9-M308 CarbonylContact O-C 3.52Å; S9-M308 VanDerWaalsContact O-CA 3.3Å; S9-M308 WeakPolarHBondContact O-CA 3.38Å; L11-M308 HydrophobicContact CB-CG 3.73Å; L11-M308 HydrophobicContact CB-SD 3.86Å; W45-M308 HydrophobicContact CB-CE 4.01Å; W45-M308 HydrophobicContact CB-SD 4.26Å; W45-M308 HydrophobicContact CD2-CE 3.51Å; W45-M308 HydrophobicContact CD2-SD 4.2Å; W45-M308 HydrophobicContact CE3-CE 3.37Å; W45-M308 HydrophobicContact CE3-SD 3.57Å; W45-M308 VanDerWaalsContact CE3-SD 3.57Å; W45-M308 HydrophobicContact CG-CE 3.81Å; W45-M308 HydrophobicContact CZ3-CE 3.91Å; W45-M308 HydrophobicContact CZ3-SD 4.16Å; M221-M308 HydrophobicContact CE-CE 4.14Å; M221-M308 HydrophobicContact CG-CB 4.01Å; M221-M308 HydrophobicContact SD-CB 3.59Å; M221-M308 VanDerWaalsContact SD-CB 3.59Å; M221-M308 HydrophobicContact SD-CE 3.55Å; M221-M308 VanDerWaalsContact SD-CE 3.55Å; M221-M308 HydrophobicContact SD-CG 4.34Å; M221-M308 HydrophobicContact SD-SD 3.88Å; V222-M308 PolarHBondContact O-N 2.97Å; C223-M308 CarbonylContact C-O 3.51Å; C223-M308 WeakPolarHBondContact CA-O 3.4Å; C223-M308 HydrophobicContact CB-CB 4.39Å; I224-M308 PolarHBondContact N-O 3.37Å
309V98.4Very high97.7Very high0 Ų036.8 Ų36.80%018%0.175CC..EExtended strand (participates in β ladder)trans-94.7134.1-177.3-54.70000110.4F8 S9 L10 L11 Y41 I224 I226 I307 F323F8-V309 HydrophobicContact CD2-CG1 4.21Å; F8-V309 HydrophobicContact CE2-CG1 4.12Å; S9-V309 WeakPolarHBondContact O-CG2 3.46Å; S9-V309 PolarHBondContact O-N 3.13Å; L10-V309 HydrophobicContact CG-CG2 4.37Å; L11-V309 PolarHBondContact N-O 2.89Å; Y41-V309 HydrophobicContact CE1-CG2 3.72Å; I224-V309 WeakPolarHBondContact O-CA 3.34Å; I226-V309 HydrophobicContact CD1-CB 4.34Å; I226-V309 HydrophobicContact CD1-CG1 3.56Å; I226-V309 HydrophobicContact CG1-CB 4.33Å; I226-V309 HydrophobicContact CG1-CG1 4Å; I307-V309 HydrophobicContact CG2-CG1 3.92Å; V309-F323 HydrophobicContact CB-CE1 4.23Å; V309-F323 HydrophobicContact CG2-CD1 3.68Å; V309-F323 HydrophobicContact CG2-CE1 3.63Å
310N98.2Very high97.8Very high3 Ų336.6 Ų36.62%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-117.8160.7167.1-169.6-2.7000108.9L11 H192 I224 N225 I226L11-N310 HydrophobicContact CB-CB 4.26Å; L11-N310 HydrophobicContact CD2-CB 4.37Å; L11-N310 PolarHBondContact O-OD1 3.06Å; H192-N310 PolarHBondContact CD2-ND2 2.77Å; H192-N310 VanDerWaalsContact CD2-ND2 3.29Å; H192-N310 PolarHBondContact NE2-ND2 3.4Å; I224-N310 PolarHBondContact O-N 3.41Å; N225-N310 CarbonylContact C-O 3.52Å; N225-N310 VanDerWaalsContact CA-O 3.24Å; N225-N310 WeakPolarHBondContact CA-O 3.48Å; I226-N310 PolarHBondContact N-O 3.48Å
311G96.7Very high98Very high0 Ų031.7 Ų31.70%016%0.158CC..  trans-171.899.2179.200000110.5I313 R319G311-I313 PolarHBondContact O-N 2.97Å; G311-R319 PolarHBondContact O-NE 2.84Å
312Q96.8Very high98.1Very high27 Ų2726.5 Ų26.513%0.12613%0.134CC..  trans-84.489.2170.6-66.2-166.4-0.100109.5L13 M242 L257L13-Q312 VanDerWaalsContact CD1-NE2 3.3Å; M242-Q312 HydrophobicContact CB-CB 4.46Å; M242-Q312 HydrophobicContact CE-CB 3.63Å; M242-Q312 HydrophobicContact CE-CG 4Å; L257-Q312 HydrophobicContact CD1-CB 4Å; L257-Q312 HydrophobicContact CD2-CB 4.1Å
313I98.5Very high98.1Very high2 Ų226.5 Ų26.51%0.0113%0.134CC..  trans-108.4130176.8-62.6164.3000107.7I227 L238 G311 D315 A318 R319 S322I227-I313 HydrophobicContact CD1-CD1 4Å; I227-I313 HydrophobicContact CD1-CG1 3.71Å; I227-I313 HydrophobicContact CG2-CD1 4.13Å; I227-I313 HydrophobicContact CG2-CG1 4.23Å; L238-I313 HydrophobicContact CB-CG2 4.32Å; L238-I313 HydrophobicContact CD1-CG2 4.39Å; L238-I313 HydrophobicContact CD2-CG2 3.98Å; L238-I313 HydrophobicContact CG-CG2 4.45Å; G311-I313 PolarHBondContact O-N 2.97Å; I313-D315 WeakPolarHBondContact CG2-O 3.4Å; I313-A318 HydrophobicContact CG2-CB 3.94Å; I313-R319 HydrophobicContact CB-CB 3.92Å; I313-R319 HydrophobicContact CB-CG 4.16Å; I313-R319 HydrophobicContact CD1-CB 4.44Å; I313-R319 HydrophobicContact CD1-CG 4.45Å; I313-R319 HydrophobicContact CG2-CB 4.32Å; I313-S322 VanDerWaalsContact CD1-CB 3.42Å; I313-S322 WeakPolarHBondContact CD1-OG 3.28Å
314F98.6Very high98.2Very high56 Ų5624.9 Ų24.925%0.24612%0.124CC..SBendtrans-61.4-48.1-176.8178-93.2000112.8P17 E18 L257 P258 P259P17-F314 HydrophobicContact CB-CD2 3.78Å; P17-F314 HydrophobicContact CB-CE2 3.71Å; P17-F314 HydrophobicContact CB-CG 4.47Å; P17-F314 HydrophobicContact CB-CZ 4.34Å; E18-F314 HydrophobicContact CB-CE2 4.07Å; L257-F314 VanDerWaalsContact O-CD2 3.27Å; L257-F314 WeakPolarHBondContact O-CD2 3.45Å; P258-F314 VanDerWaalsContact C-CD2 3.43Å; P258-F314 WeakPolarHBondContact O-CD2 3.39Å; P259-F314 VanDerWaalsContact CA-CD2 3.46Å; P259-F314 HydrophobicContact CB-CD1 4.29Å; P259-F314 HydrophobicContact CB-CD2 4.19Å; P259-F314 HydrophobicContact CB-CE1 4.1Å; P259-F314 HydrophobicContact CB-CE2 3.98Å; P259-F314 HydrophobicContact CB-CG 4.35Å; P259-F314 HydrophobicContact CB-CZ 3.94Å
315D98.4Very high98.3Very high79 Ų7925.2 Ų25.242%0.42213%0.125SC..SBendtrans-80.9122.2178.9-179.2-92.4000110.5I313 Q317 A318 R319I313-D315 WeakPolarHBondContact CG2-O 3.4Å; D315-Q317 PolarHBondContact O-N 2.94Å; D315-Q317 PolarHBondContact OD1-N 3.11Å; D315-Q317 VanDerWaalsContact OD1-N 3.11Å; D315-A318 HydrophobicContact CB-CB 3.94Å; D315-A318 PolarHBondContact O-N 2.8Å; D315-A318 WeakPolarHBondContact OD1-CB 3Å; D315-A318 PolarHBondContact OD1-N 2.88Å; D315-R319 WeakPolarHBondContact O-CB 3.17Å; D315-R319 PolarHBondContact O-N 3.01Å
316H98.5Very high98.3Very high19 Ų1924 Ų249%0.08812%0.118CC..Hα-helixtrans-65.9-37-175.1179.550.6000112.6H28 D31 R319 L320H28-H316 VanDerWaalsContact CA-CE1 3.44Å; H28-H316 WeakPolarHBondContact CA-CE1 3.45Å; H28-H316 VanDerWaalsContact CB-CE1 3.44Å; H28-H316 WeakPolarHBondContact CB-CE1 3.39Å; H28-H316 AromaticContact CD2-CD2 3.2Å; H28-H316 PolarHBondContact CD2-CD2 3.3Å; H28-H316 AromaticContact CD2-CE1 3.92Å; H28-H316 AromaticContact CD2-CG 3.52Å; H28-H316 AromaticContact CD2-ND1 3.96Å; H28-H316 AromaticContact CD2-NE2 3.47Å; H28-H316 PolarHBondContact CD2-NE2 3.11Å; H28-H316 AromaticContact CG-CD2 3.69Å; H28-H316 AromaticContact CG-CE1 3.77Å; H28-H316 AromaticContact CG-CG 3.56Å; H28-H316 AromaticContact CG-ND1 3.62Å; H28-H316 AromaticContact CG-NE2 3.8Å; H28-H316 AromaticContact ND1-CG 3.91Å; H28-H316 AromaticContact NE2-CD2 3.67Å; H28-H316 AromaticContact NE2-CG 3.86Å; H28-H316 PolarHBondContact O-CE1 3Å; H28-H316 VanDerWaalsContact O-CE1 3.32Å; D31-H316 IonicContact OD2-CD2 3.87Å; D31-H316 IonicContact OD2-NE2 4Å; D31-H316 PolarHBondContact OD2-NE2 2.82Å; H316-R319 WeakPolarHBondContact O-CB 3.27Å; H316-R319 PolarHBondContact O-N 3.03Å; H316-L320 WeakPolarHBondContact O-CG 3.5Å; H316-L320 PolarHBondContact O-N 3.24Å
317Q98.6Very high98.3Very high126 Ų12624 Ų2459%0.58912%0.119SC*.Hα-helixtrans-69.2-41.6178.9-64.8-56.9-50.200111.3D315 R319 L320 H321D315-Q317 PolarHBondContact O-N 2.94Å; D315-Q317 PolarHBondContact OD1-N 3.11Å; D315-Q317 VanDerWaalsContact OD1-N 3.11Å; Q317-R319 VanDerWaalsContact C-N 3.25Å; Q317-R319 PolarHBondContact O-N 2.93Å; Q317-L320 PolarHBondContact O-N 2.95Å; Q317-H321 WeakPolarHBondContact O-CB 3.25Å; Q317-H321 PolarHBondContact O-N 3.27Å
318A98.7Very high98.2Very high21 Ų2126.1 Ų26.117%0.17413%0.13CC..Hα-helixtrans-61.4-35.9171.300000111.5L238 I313 D315 S322L238-A318 HydrophobicContact CD1-CB 3.93Å; L238-A318 HydrophobicContact CD2-CB 3.98Å; I313-A318 HydrophobicContact CG2-CB 3.94Å; D315-A318 HydrophobicContact CB-CB 3.94Å; D315-A318 PolarHBondContact O-N 2.8Å; D315-A318 WeakPolarHBondContact OD1-CB 3Å; D315-A318 PolarHBondContact OD1-N 2.88Å; A318-S322 VanDerWaalsContact O-CB 3.27Å; A318-S322 WeakPolarHBondContact O-CB 3.45Å; A318-S322 PolarHBondContact O-N 3.21Å
319R98.7Very high98.1Very high6 Ų626 Ų262%0.02313%0.129CC..Hα-helixtrans-63.3-47.7174.8-166.5177.5-175.7-140.6-3.6112D12 P15 G311 I313 D315 H316 Q317 S322 F323D12-R319 IonicContact OD1-CZ 3.23Å; D12-R319 IonicContact OD1-NH1 2.71Å; D12-R319 PolarHBondContact OD1-NH1 2.97Å; D12-R319 VanDerWaalsContact OD1-NH1 3.07Å; D12-R319 IonicContact OD1-NH2 3.17Å; D12-R319 PolarHBondContact OD1-NH2 2.93Å; P15-R319 VanDerWaalsContact CD-NH1 3.35Å; G311-R319 PolarHBondContact O-NE 2.84Å; I313-R319 HydrophobicContact CB-CB 3.92Å; I313-R319 HydrophobicContact CB-CG 4.16Å; I313-R319 HydrophobicContact CD1-CB 4.44Å; I313-R319 HydrophobicContact CD1-CG 4.45Å; I313-R319 HydrophobicContact CG2-CB 4.32Å; D315-R319 WeakPolarHBondContact O-CB 3.17Å; D315-R319 PolarHBondContact O-N 3.01Å; H316-R319 WeakPolarHBondContact O-CB 3.27Å; H316-R319 PolarHBondContact O-N 3.03Å; Q317-R319 VanDerWaalsContact C-N 3.25Å; Q317-R319 PolarHBondContact O-N 2.93Å; R319-S322 WeakPolarHBondContact O-CB 3.41Å; R319-S322 PolarHBondContact O-N 3.07Å; R319-F323 HydrophobicContact CG-CD2 4.12Å; R319-F323 HydrophobicContact CG-CE2 3.69Å; R319-F323 WeakPolarHBondContact O-CD2 3.43Å; R319-F323 PolarHBondContact O-N 3.34Å
320L98.8Very high97.9Very high25 Ų2527.8 Ų27.813%0.13114%0.137CC..Hα-helixtrans-59.3-50.3175.2-66.8177.4000110.9D31 L32 L35 H316 Q317 S322 F323 E324D31-L320 HydrophobicContact CB-CD1 4.48Å; D31-L320 HydrophobicContact CB-CD2 4.45Å; L32-L320 HydrophobicContact CB-CD2 4.11Å; L32-L320 HydrophobicContact CD1-CD2 3.81Å; L35-L320 HydrophobicContact CB-CD2 4.28Å; L35-L320 HydrophobicContact CD2-CB 3.96Å; L35-L320 HydrophobicContact CD2-CD2 3.75Å; L35-L320 HydrophobicContact CD2-CG 4.45Å; L35-L320 WeakPolarHBondContact CD2-O 3.49Å; H316-L320 WeakPolarHBondContact O-CG 3.5Å; H316-L320 PolarHBondContact O-N 3.24Å; Q317-L320 PolarHBondContact O-N 2.95Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.44Å; L320-F323 PolarHBondContact O-N 3.36Å; L320-F323 VanDerWaalsContact O-N 3.13Å; L320-E324 PolarHBondContact O-N 3.41Å
321H98.7Very high97.7Very high62 Ų6231.7 Ų31.729%0.28716%0.155SC..Hα-helixtrans-57.4-41.9178.2-173.950.8000112.2D230 Q317 F323 E324 L325D230-H321 IonicContact OD1-CD2 3.69Å; D230-H321 IonicContact OD1-CE1 3.04Å; D230-H321 IonicContact OD1-NE2 3.59Å; D230-H321 PolarHBondContact OD1-NE2 3.49Å; D230-H321 IonicContact OD2-NE2 3.82Å; Q317-H321 WeakPolarHBondContact O-CB 3.25Å; Q317-H321 PolarHBondContact O-N 3.27Å; H321-F323 VanDerWaalsContact C-N 3.3Å; H321-F323 PolarHBondContact O-N 3.46Å; H321-E324 WeakPolarHBondContact O-CB 3.4Å; H321-E324 PolarHBondContact O-N 2.88Å; H321-E324 VanDerWaalsContact O-N 3.12Å; H321-L325 WeakPolarHBondContact O-CG 3.29Å; H321-L325 PolarHBondContact O-N 3.26Å
322S98.8Very high97.4Very high0 Ų035.1 Ų35.10%017%0.171CC..Hα-helixtrans-57.9-42.4177.7-152.70000112.7A228 I313 A318 R319 L320 L325 A326A228-S322 WeakPolarHBondContact CA-OG 3.4Å; A228-S322 PolarHBondContact N-OG 2.9Å; A228-S322 WeakPolarHBondContact O-CA 3.46Å; A228-S322 WeakPolarHBondContact O-CB 3.35Å; A228-S322 PolarHBondContact O-OG 3.34Å; I313-S322 VanDerWaalsContact CD1-CB 3.42Å; I313-S322 WeakPolarHBondContact CD1-OG 3.28Å; A318-S322 VanDerWaalsContact O-CB 3.27Å; A318-S322 WeakPolarHBondContact O-CB 3.45Å; A318-S322 PolarHBondContact O-N 3.21Å; R319-S322 WeakPolarHBondContact O-CB 3.41Å; R319-S322 PolarHBondContact O-N 3.07Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.44Å; S322-L325 PolarHBondContact O-N 3.3Å; S322-A326 PolarHBondContact O-N 3Å
323F98.6Very high97Very high0 Ų036.2 Ų36.20%018%0.178CC..Hα-helixtrans-78.7-23177.7-66.8-56.7000113.2L10 L32 L35 Y41 V309 R319 L320 H321 M327L10-F323 HydrophobicContact CD1-CB 4.35Å; L10-F323 HydrophobicContact CD1-CD1 3.97Å; L10-F323 HydrophobicContact CD1-CD2 3.93Å; L10-F323 HydrophobicContact CD1-CE1 4.2Å; L10-F323 HydrophobicContact CD1-CE2 4.11Å; L10-F323 HydrophobicContact CD1-CG 3.83Å; L10-F323 HydrophobicContact CD1-CZ 4.24Å; L10-F323 HydrophobicContact CG-CE1 4.44Å; L10-F323 HydrophobicContact CG-CZ 4.45Å; L32-F323 HydrophobicContact CD1-CB 4.33Å; L32-F323 HydrophobicContact CD1-CD2 3.4Å; L32-F323 VanDerWaalsContact CD1-CD2 3.4Å; L32-F323 HydrophobicContact CD1-CE2 4Å; L32-F323 HydrophobicContact CD1-CG 4.19Å; L32-F323 HydrophobicContact CD2-CD2 4.17Å; L32-F323 HydrophobicContact CD2-CE2 3.89Å; L32-F323 HydrophobicContact CG-CD2 4.41Å; L35-F323 HydrophobicContact CD2-CB 4.47Å; Y41-F323 PolarHBondContact OH-O 2.8Å; V309-F323 HydrophobicContact CB-CE1 4.23Å; V309-F323 HydrophobicContact CG2-CD1 3.68Å; V309-F323 HydrophobicContact CG2-CE1 3.63Å; R319-F323 HydrophobicContact CG-CD2 4.12Å; R319-F323 HydrophobicContact CG-CE2 3.69Å; R319-F323 WeakPolarHBondContact O-CD2 3.43Å; R319-F323 PolarHBondContact O-N 3.34Å; L320-F323 PolarHBondContact O-N 3.36Å; L320-F323 VanDerWaalsContact O-N 3.13Å; H321-F323 VanDerWaalsContact C-N 3.3Å; H321-F323 PolarHBondContact O-N 3.46Å; F323-M327 PolarHBondContact O-N 3.22Å
324E98.5Very high95.7Very high63 Ų6339.6 Ų39.629%0.29420%0.195SC..Hα-helixtrans-64.3-51165.5-74.4-178140.300110.6L35 R39 L320 H321 A326 M327 D328L35-E324 HydrophobicContact CD1-CG 3.6Å; L35-E324 WeakPolarHBondContact CD1-OE1 3.19Å; L35-E324 HydrophobicContact CD2-CG 3.94Å; L35-E324 HydrophobicContact CG-CG 4.27Å; R39-E324 HydrophobicContact CG-CG 4.33Å; L320-E324 PolarHBondContact O-N 3.41Å; H321-E324 WeakPolarHBondContact O-CB 3.4Å; H321-E324 PolarHBondContact O-N 2.88Å; H321-E324 VanDerWaalsContact O-N 3.12Å; E324-A326 VanDerWaalsContact C-N 3.28Å; E324-A326 PolarHBondContact O-N 2.68Å; E324-M327 WeakPolarHBondContact O-CB 3.25Å; E324-M327 PolarHBondContact O-N 2.44Å; E324-D328 PolarHBondContact O-N 2.99Å
325L98.5Very high93.8Very high11 Ų1142.8 Ų42.86%0.05824%0.244CC..Hα-helixtrans-60.6-35.7178.3-66.7175.9000112.6A228 K288 H321 S322 M327 D328 V329A228-L325 HydrophobicContact CB-CB 3.67Å; A228-L325 HydrophobicContact CB-CD1 3.95Å; A228-L325 HydrophobicContact CB-CG 4.49Å; K288-L325 HydrophobicContact CD-CD2 3.78Å; K288-L325 HydrophobicContact CG-CB 4.39Å; K288-L325 HydrophobicContact CG-CD2 3.8Å; H321-L325 WeakPolarHBondContact O-CG 3.29Å; H321-L325 PolarHBondContact O-N 3.26Å; S322-L325 PolarHBondContact O-N 3.3Å; L325-M327 VanDerWaalsContact C-N 3.3Å; L325-M327 PolarHBondContact O-N 3.09Å; L325-D328 PolarHBondContact O-N 2.84Å; L325-V329 WeakPolarHBondContact O-CG2 3.13Å; L325-V329 PolarHBondContact O-N 3.46Å
326A97.9Very high93.5Very high1 Ų141 Ų411%0.00824%0.235CC..Hα-helixtrans-61.7-38.7174.200000112.2I226 S322 E324 K330I226-A326 HydrophobicContact CD1-CB 4.09Å; I226-A326 HydrophobicContact CG2-CB 4.11Å; S322-A326 PolarHBondContact O-N 3Å; E324-A326 VanDerWaalsContact C-N 3.28Å; E324-A326 PolarHBondContact O-N 2.68Å; A326-K330 PolarHBondContact O-N 3.22Å; A326-K330 VanDerWaalsContact O-N 3.13Å
327M97.2Very high93.3Very high2 Ų242.1 Ų42.11%0.0124%0.242CC..Hα-helixtrans-72.9-39.9174.4-95.1-57-48.500112.6F8 R39 Y41 F323 E324 L325 V329 K330 E331F8-M327 HydrophobicContact CB-SD 4.09Å; F8-M327 HydrophobicContact CD2-SD 4.46Å; R39-M327 HydrophobicContact CB-CB 4.34Å; R39-M327 HydrophobicContact CB-CG 4.08Å; R39-M327 WeakPolarHBondContact O-CE 3Å; Y41-M327 HydrophobicContact CD2-CG 3.73Å; Y41-M327 HydrophobicContact CD2-SD 4.49Å; Y41-M327 HydrophobicContact CE1-CG 4.28Å; Y41-M327 HydrophobicContact CE2-CB 4.28Å; Y41-M327 HydrophobicContact CE2-CG 3.27Å; Y41-M327 HydrophobicContact CE2-SD 4.44Å; Y41-M327 HydrophobicContact CG-CG 4.44Å; F323-M327 PolarHBondContact O-N 3.22Å; E324-M327 WeakPolarHBondContact O-CB 3.25Å; E324-M327 PolarHBondContact O-N 2.44Å; L325-M327 VanDerWaalsContact C-N 3.3Å; L325-M327 PolarHBondContact O-N 3.09Å; M327-V329 PolarHBondContact O-N 3.47Å; M327-K330 HydrophobicContact CE-CB 4.45Å; M327-K330 HydrophobicContact CE-CD 4.04Å; M327-K330 HydrophobicContact CE-CG 4.47Å; M327-K330 WeakPolarHBondContact O-CB 3.35Å; M327-K330 PolarHBondContact O-N 2.71Å; M327-K330 HydrophobicContact SD-CB 4.29Å; M327-K330 HydrophobicContact SD-CD 3.71Å; M327-K330 HydrophobicContact SD-CG 4.48Å; M327-E331 HydrophobicContact CE-CG 3.84Å; M327-E331 WeakPolarHBondContact O-CG 3.45Å; M327-E331 PolarHBondContact O-N 3.46Å
328D97.4Very high93Very high43 Ų4337.4 Ų37.423%0.2322%0.223CC..Hα-helixtrans-55.3-44.9173.5-69.54.9000110.5R39 K288 E324 L325 K330 E331 E332R39-D328 IonicContact CZ-OD1 3.99Å; R39-D328 IonicContact NH2-OD1 3.85Å; R39-D328 PolarHBondContact NH2-OD1 2.86Å; K288-D328 HydrophobicContact CD-CB 4Å; E324-D328 PolarHBondContact O-N 2.99Å; L325-D328 PolarHBondContact O-N 2.84Å; D328-K330 PolarHBondContact O-N 3.28Å; D328-E331 PolarHBondContact O-N 3.1Å; D328-E332 WeakPolarHBondContact O-CB 3.43Å; D328-E332 WeakPolarHBondContact O-CG 3.41Å; D328-E332 PolarHBondContact O-N 3.4Å
329V96.4Very high92.6Very high0 Ų038.4 Ų38.40%023%0.226CC..Hα-helixtrans-62.7-41.5176.4167.30000111.8K288 V291 R292 L295 L325 M327 E331 E332 L333K288-V329 HydrophobicContact CB-CG2 3.9Å; K288-V329 HydrophobicContact CD-CG2 4.37Å; K288-V329 HydrophobicContact CG-CG2 4.1Å; K288-V329 WeakPolarHBondContact O-CG2 3.34Å; V291-V329 HydrophobicContact CB-CG2 4.41Å; V291-V329 HydrophobicContact CG1-CG1 4.29Å; V291-V329 HydrophobicContact CG1-CG2 4.28Å; R292-V329 VanDerWaalsContact CA-CG1 3.49Å; R292-V329 HydrophobicContact CB-CG1 3.68Å; R292-V329 HydrophobicContact CB-CG2 4.42Å; R292-V329 HydrophobicContact CG-CG1 4.21Å; L295-V329 HydrophobicContact CD2-CG1 3.86Å; L325-V329 WeakPolarHBondContact O-CG2 3.13Å; L325-V329 PolarHBondContact O-N 3.46Å; M327-V329 PolarHBondContact O-N 3.47Å; V329-E331 VanDerWaalsContact C-N 3.35Å; V329-E332 PolarHBondContact O-N 3.31Å; V329-L333 WeakPolarHBondContact O-CG 3.29Å; V329-L333 PolarHBondContact O-N 3.19Å; V329-L333 VanDerWaalsContact O-N 3.16Å
330K93.8Very high92.3Very high37 Ų3740.4 Ų40.416%0.16124%0.239CC..Hα-helixtrans-60.3-45.4174.1170.3179.9161.6-72.50111.2I6 F8 A326 M327 D328 E332 L333 L334I6-K330 WeakPolarHBondContact O-CE 3.4Å; F8-K330 HydrophobicContact CB-CD 3.65Å; F8-K330 HydrophobicContact CD1-CB 4.38Å; F8-K330 HydrophobicContact CD1-CD 3.6Å; F8-K330 HydrophobicContact CD1-CG 4.24Å; F8-K330 HydrophobicContact CD2-CB 4.07Å; F8-K330 HydrophobicContact CD2-CD 4.12Å; F8-K330 HydrophobicContact CE1-CB 4.38Å; F8-K330 HydrophobicContact CE1-CD 4.33Å; F8-K330 HydrophobicContact CE1-CG 4.5Å; F8-K330 HydrophobicContact CE2-CB 4.07Å; F8-K330 HydrophobicContact CG-CB 4.26Å; F8-K330 HydrophobicContact CG-CD 3.51Å; F8-K330 HydrophobicContact CG-CG 4.34Å; F8-K330 HydrophobicContact CZ-CB 4.26Å; A326-K330 PolarHBondContact O-N 3.22Å; A326-K330 VanDerWaalsContact O-N 3.13Å; M327-K330 HydrophobicContact CE-CB 4.45Å; M327-K330 HydrophobicContact CE-CD 4.04Å; M327-K330 HydrophobicContact CE-CG 4.47Å; M327-K330 WeakPolarHBondContact O-CB 3.35Å; M327-K330 PolarHBondContact O-N 2.71Å; M327-K330 HydrophobicContact SD-CB 4.29Å; M327-K330 HydrophobicContact SD-CD 3.71Å; M327-K330 HydrophobicContact SD-CG 4.48Å; D328-K330 PolarHBondContact O-N 3.28Å; K330-E332 VanDerWaalsContact C-N 3.34Å; K330-L333 PolarHBondContact O-N 3.14Å; K330-L334 HydrophobicContact CG-CD1 4.41Å; K330-L334 PolarHBondContact O-N 3.33Å
331E92.8Very high91.8Very high86 Ų8641.5 Ų41.540%0.40225%0.246SC..Hα-helixtrans-62.9-41.9-180-71.7169.5171.600111.1R39 M327 D328 V329 L333 L334 G335R39-E331 IonicContact NH1-OE1 3.38Å; R39-E331 IonicContact NH2-OE1 2.74Å; R39-E331 IonicContact NH2-OE2 3.67Å; R39-E331 PolarHBondContact NH2-OE2 3.07Å; R39-E331 VanDerWaalsContact NH2-OE2 3.11Å; M327-E331 HydrophobicContact CE-CG 3.84Å; M327-E331 WeakPolarHBondContact O-CG 3.45Å; M327-E331 PolarHBondContact O-N 3.46Å; D328-E331 PolarHBondContact O-N 3.1Å; V329-E331 VanDerWaalsContact C-N 3.35Å; E331-L333 PolarHBondContact O-N 2.96Å; E331-L334 PolarHBondContact O-N 3.26Å; E331-G335 PolarHBondContact O-N 3.3Å
332E91.7Very high91.3Very high72 Ų7240 Ų4034%0.33624%0.243SC..Hα-helixtrans-65.3-20.2174.8-72.8176.6-160.700114K288 R292 D328 V329 K330K288-E332 IonicContact NZ-OE1 3.07Å; K288-E332 PolarHBondContact NZ-OE1 2.71Å; R292-E332 IonicContact CZ-OE2 2.92Å; R292-E332 IonicContact NH1-OE2 3.84Å; D328-E332 WeakPolarHBondContact O-CB 3.43Å; D328-E332 WeakPolarHBondContact O-CG 3.41Å; D328-E332 PolarHBondContact O-N 3.4Å; V329-E332 PolarHBondContact O-N 3.31Å; K330-E332 VanDerWaalsContact C-N 3.34Å
333L87.1Confident90.7Very high50 Ų5043.1 Ų43.126%0.26226%0.262SS..Hα-helixtrans-84.5-19175.4-74.4179.4000113.8R292 L295 Q296 L299 V329 K330 E331R292-L333 HydrophobicContact CG-CD2 3.79Å; R292-L333 HydrophobicContact CG-CG 4.28Å; L295-L333 HydrophobicContact CD2-CD1 3.45Å; L295-L333 VanDerWaalsContact CD2-CD1 3.45Å; L295-L333 HydrophobicContact CG-CD1 3.92Å; Q296-L333 HydrophobicContact CG-CD1 4.31Å; Q296-L333 HydrophobicContact CG-CD2 3.44Å; Q296-L333 VanDerWaalsContact CG-CD2 3.44Å; L299-L333 HydrophobicContact CD1-CD1 4.33Å; V329-L333 WeakPolarHBondContact O-CG 3.29Å; V329-L333 PolarHBondContact O-N 3.19Å; V329-L333 VanDerWaalsContact O-N 3.16Å; K330-L333 PolarHBondContact O-N 3.14Å; E331-L333 PolarHBondContact O-N 2.96Å
334L71.5Confident90.1Very high73 Ų7346.7 Ų46.738%0.38228%0.283SS..Hα-helixtrans-96-14.8179.9-63.1175.7000112.8T5 K330 E331T5-L334 HydrophobicContact CG2-CD1 4.37Å; T5-L334 HydrophobicContact CG2-CD2 4.14Å; K330-L334 HydrophobicContact CG-CD1 4.41Å; K330-L334 PolarHBondContact O-N 3.33Å; E331-L334 PolarHBondContact O-N 3.26Å
335G58.3Low89.3Confident122 Ų12245.2 Ų45.2100%1.25828%0.282SS*.  trans-93.90176.400000112.9E331E331-G335 PolarHBondContact O-N 3.3Å

Retrieved 335 of 335 residues in 104.6 ms (Link to these results)

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