A0A5K4FE71_SCHMA Loading...

tRNA:m(4)X modification enzyme TRM13

tRNA methylase which 2'-O-methylates cytidine(4) in tRNA(Pro) and tRNA(Gly)(GCC), and adenosine(4) in tRNA(His).

AlphaFold DB , UniProt , Accession A0A5K4FE71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 476 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
1M36.5Very low75.5Confident240 Ų24099.7 Ų99.7100%1.18252%0.52SS*.  0110.70-75.1173.7176.400107C3M1-C3 PolarHBondContact O-N 3.12Å
2A46Very low76.7Confident96 Ų96102.3 Ų102.379%0.79354%0.535SS*.  trans-61.3124170.600000107.2E4A2-E4 PolarHBondContact O-N 3.03Å
3C49.8Very low77.3Confident111 Ų111109 Ų10975%0.7556%0.562SS**  trans-51.9111.7171.4-104.10000107.6M1 E5M1-C3 PolarHBondContact O-N 3.12Å; C3-E5 VanDerWaalsContact C-N 3.28Å; C3-E5 PolarHBondContact O-N 3.01Å
4E64.4Low77.8Confident154 Ų154110.3 Ų110.372%0.7256%0.561SS**  trans-68.394.3171.9-69.6-174.2163.400107.7A2 R6 L21A2-E4 PolarHBondContact O-N 3.03Å; E4-R6 PolarHBondContact O-N 3.09Å; E4-L21 HydrophobicContact CB-CD2 3.76Å
5E83.3Confident78.5Confident102 Ų102111.8 Ų111.848%0.47757%0.571SS.*PPolyproline II helixtrans-67.1132-172.2-76.7175.5-117.800111.5C3 R22C3-E5 VanDerWaalsContact C-N 3.28Å; C3-E5 PolarHBondContact O-N 3.01Å; E5-R22 VanDerWaalsContact O-CG 3.3Å; E5-R22 WeakPolarHBondContact O-CG 3.37Å; E5-R22 PolarHBondContact O-N 2.99Å; E5-R22 IonicContact OE1-CZ 3.15Å; E5-R22 IonicContact OE1-NH1 3.07Å; E5-R22 IonicContact OE1-NH2 2.7Å; E5-R22 PolarHBondContact OE1-NH2 2.78Å; E5-R22 IonicContact OE2-CZ 2.77Å; E5-R22 IonicContact OE2-NE 3.46Å; E5-R22 IonicContact OE2-NH1 3.93Å; E5-R22 PolarHBondContact OE2-NH1 3.12Å; E5-R22 IonicContact OE2-NH2 3.85Å; E5-R22 PolarHBondContact OE2-NH2 3.03Å
6R89.7Confident79.2Confident169 Ų169110.3 Ų110.364%0.63856%0.559SS**BIsolated β-bridgetrans-79.1159.8-177.6-64.8-177.3-179.7-177.62.3111.2E4 G8E4-R6 PolarHBondContact O-N 3.09Å; R6-G8 PolarHBondContact O-N 3.09Å
7C93.6Very high79.9Confident2 Ų2112.2 Ų112.21%0.01456%0.559CS.*PPolyproline II helixtrans-61.1127.1174.2172.90000112.1Y9 C18 Q20 C29C7-Y9 PolarHBondContact O-N 3.24Å; C7-Y9 WeakPolarHBondContact SG-CB 3.34Å; C7-Y9 PolarHBondContact SG-N 2.96Å; C7-Y9 VanDerWaalsContact SG-N 3.38Å; C7-C18 HydrophobicContact CB-CB 3.87Å; C7-Q20 VanDerWaalsContact CB-O 3.29Å; C7-Q20 WeakPolarHBondContact CB-O 3.26Å; C7-Q20 PolarHBondContact N-O 2.79Å; C7-C29 HydrophobicContact CB-CB 3.7Å; C7-C29 PolarHBondContact SG-N 3.38Å; C7-C29 VanDerWaalsContact SG-SG 3.6Å
8G90.8Very high80.6Confident32 Ų32106.3 Ų106.333%0.3353%0.531SS..  trans-75.89.5177.500000115.3R6 F10 Y17 D27 R28R6-G8 PolarHBondContact O-N 3.09Å; G8-F10 PolarHBondContact O-N 2.72Å; G8-Y17 WeakPolarHBondContact O-CE1 3.5Å; G8-D27 PolarHBondContact N-O 2.86Å; G8-R28 PolarHBondContact O-NH1 2.83Å
9Y93.1Very high81.1Confident91 Ų91110.3 Ų110.336%0.35754%0.539SS..  trans-76.4121.6176.8-172.8-92.5000112.2C7 M11 Y17 C18 H32C7-Y9 PolarHBondContact O-N 3.24Å; C7-Y9 WeakPolarHBondContact SG-CB 3.34Å; C7-Y9 PolarHBondContact SG-N 2.96Å; C7-Y9 VanDerWaalsContact SG-N 3.38Å; Y9-M11 HydrophobicContact CD1-CG 3.87Å; Y9-M11 HydrophobicContact CE1-CG 3.93Å; Y9-Y17 CarbonylContact O-C 3.57Å; Y9-Y17 WeakPolarHBondContact O-CA 3.43Å; Y9-C18 WeakPolarHBondContact O-CB 3.39Å; Y9-C18 PolarHBondContact O-N 3.24Å; Y9-H32 WeakPolarHBondContact CB-ND1 3.47Å; Y9-H32 HydrophobicContact CD1-CB 4.4Å; Y9-H32 AromaticContact CD1-CD2 3.36Å; Y9-H32 WeakPolarHBondContact CD1-CD2 3.34Å; Y9-H32 AromaticContact CD1-CE1 3.39Å; Y9-H32 WeakPolarHBondContact CD1-CE1 3.36Å; Y9-H32 AromaticContact CD1-CG 3.55Å; Y9-H32 AromaticContact CD1-ND1 3.56Å; Y9-H32 AromaticContact CD1-NE2 3.28Å; Y9-H32 VanDerWaalsContact CD1-NE2 3.28Å; Y9-H32 WeakPolarHBondContact CD1-NE2 3.45Å; Y9-H32 HydrophobicContact CD2-CB 3.93Å; Y9-H32 AromaticContact CD2-CG 3.94Å; Y9-H32 AromaticContact CE1-CD2 3.53Å; Y9-H32 AromaticContact CE1-NE2 3.47Å; Y9-H32 WeakPolarHBondContact CE1-NE2 3.46Å; Y9-H32 HydrophobicContact CG-CB 3.77Å; Y9-H32 AromaticContact CG-CD2 3.62Å; Y9-H32 AromaticContact CG-CE1 3.95Å; Y9-H32 AromaticContact CG-CG 3.39Å; Y9-H32 AromaticContact CG-ND1 3.62Å; Y9-H32 AromaticContact CG-NE2 3.99Å; Y9-H32 AromaticContact CZ-CD2 3.97Å
10F92.9Very high81.5Confident67 Ų67109.3 Ų109.329%0.29453%0.533SS..EExtended strand (participates in β ladder)trans-89.1117.7175.5-166.9-97.7000110G8 N12 N15 Y17G8-F10 PolarHBondContact O-N 2.72Å; F10-N12 VanDerWaalsContact CD1-OD1 3.3Å; F10-N12 WeakPolarHBondContact CD1-OD1 3.42Å; F10-N12 PolarHBondContact O-N 2.93Å; F10-N15 WeakPolarHBondContact CZ-OD1 3.46Å; F10-Y17 HydrophobicContact CB-CD1 4.08Å; F10-Y17 HydrophobicContact CB-CE1 3.91Å; F10-Y17 HydrophobicContact CD2-CD1 4.01Å; F10-Y17 AromaticContact CD2-CD2 3.81Å; F10-Y17 HydrophobicContact CD2-CD2 3.81Å; F10-Y17 AromaticContact CD2-CE1 3.93Å; F10-Y17 HydrophobicContact CD2-CE1 3.93Å; F10-Y17 AromaticContact CD2-CE2 3.7Å; F10-Y17 HydrophobicContact CD2-CE2 3.7Å; F10-Y17 AromaticContact CD2-CG 3.96Å; F10-Y17 HydrophobicContact CD2-CG 3.96Å; F10-Y17 AromaticContact CD2-CZ 3.77Å; F10-Y17 HydrophobicContact CE2-CD2 4.27Å; F10-Y17 HydrophobicContact CE2-CE2 4.15Å; F10-Y17 HydrophobicContact CG-CE1 4.41Å
11M90.5Very high82Confident33 Ų33108.5 Ų108.516%0.16353%0.53CS..EExtended strand (participates in β ladder)trans-86.594.2177.8-63.2173.2-65.200108.6Y9 E13 K14 N15 K16Y9-M11 HydrophobicContact CD1-CG 3.87Å; Y9-M11 HydrophobicContact CE1-CG 3.93Å; M11-E13 VanDerWaalsContact C-N 3.28Å; M11-E13 PolarHBondContact O-N 3.13Å; M11-K14 HydrophobicContact CB-CB 4.13Å; M11-K14 HydrophobicContact CE-CD 4.37Å; M11-K14 CarbonylContact O-C 3.57Å; M11-K14 PolarHBondContact O-N 3.36Å; M11-K14 HydrophobicContact SD-CD 4.13Å; M11-N15 PolarHBondContact O-N 3.03Å; M11-K16 WeakPolarHBondContact CB-O 3.47Å; M11-K16 HydrophobicContact CE-CD 4.36Å; M11-K16 HydrophobicContact CE-CG 3.63Å; M11-K16 PolarHBondContact N-O 3.25Å
12N89.7Confident84.6Confident131 Ų131101.7 Ų101.770%0.70149%0.492SS*.G310 helixtrans-49.9-46.3-178.1-73.2-30.6000112.6F10 K14 N15F10-N12 VanDerWaalsContact CD1-OD1 3.3Å; F10-N12 WeakPolarHBondContact CD1-OD1 3.42Å; F10-N12 PolarHBondContact O-N 2.93Å; N12-K14 PolarHBondContact O-N 3.39Å; N12-N15 PolarHBondContact O-N 2.89Å; N12-N15 VanDerWaalsContact O-N 3.17Å
13E84.2Confident86.5Confident189 Ų189100 Ų10088%0.88347%0.469SS*.G310 helixtrans-60-29178.9-62.4176-179.600114M11M11-E13 VanDerWaalsContact C-N 3.28Å; M11-E13 PolarHBondContact O-N 3.13Å
14K84.6Confident88.3Confident127 Ų127105.1 Ų105.155%0.55248%0.479SS*.G310 helixtrans-107.13.5-176.6-63179.4-178.4169.20112.5M11 N12 K16M11-K14 HydrophobicContact CB-CB 4.13Å; M11-K14 HydrophobicContact CE-CD 4.37Å; M11-K14 CarbonylContact O-C 3.57Å; M11-K14 PolarHBondContact O-N 3.36Å; M11-K14 HydrophobicContact SD-CD 4.13Å; N12-K14 PolarHBondContact O-N 3.39Å; K14-K16 HydrophobicContact CB-CD 4.25Å; K14-K16 HydrophobicContact CB-CG 4.04Å; K14-K16 WeakPolarHBondContact O-CG 3.13Å; K14-K16 PolarHBondContact O-N 3.11Å; K14-K16 VanDerWaalsContact O-N 3.14Å
15N87.7Confident89.4Confident133 Ų133102 Ų10271%0.71149%0.488SS*.THydrogen-bonded Turntrans41.745.5-176.3-161.724.8000113.7F10 M11 N12F10-N15 WeakPolarHBondContact CZ-OD1 3.46Å; M11-N15 PolarHBondContact O-N 3.03Å; N12-N15 PolarHBondContact O-N 2.89Å; N12-N15 VanDerWaalsContact O-N 3.17Å
16K90.7Very high89.7Confident88 Ų8898.3 Ų98.338%0.38347%0.473SS..EExtended strand (participates in β ladder)trans-158.3153.9-177.871.2-165.7-178.2-165.80112.7M11 K14M11-K16 WeakPolarHBondContact CB-O 3.47Å; M11-K16 HydrophobicContact CE-CD 4.36Å; M11-K16 HydrophobicContact CE-CG 3.63Å; M11-K16 PolarHBondContact N-O 3.25Å; K14-K16 HydrophobicContact CB-CD 4.25Å; K14-K16 HydrophobicContact CB-CG 4.04Å; K14-K16 WeakPolarHBondContact O-CG 3.13Å; K14-K16 PolarHBondContact O-N 3.11Å; K14-K16 VanDerWaalsContact O-N 3.14Å
17Y91.4Very high89.8Confident142 Ų14294.2 Ų94.256%0.55746%0.464SS*.EExtended strand (participates in β ladder)trans-67.2149169.9-71.1-82000112.6G8 Y9 F10 R19G8-Y17 WeakPolarHBondContact O-CE1 3.5Å; Y9-Y17 CarbonylContact O-C 3.57Å; Y9-Y17 WeakPolarHBondContact O-CA 3.43Å; F10-Y17 HydrophobicContact CB-CD1 4.08Å; F10-Y17 HydrophobicContact CB-CE1 3.91Å; F10-Y17 HydrophobicContact CD2-CD1 4.01Å; F10-Y17 AromaticContact CD2-CD2 3.81Å; F10-Y17 HydrophobicContact CD2-CD2 3.81Å; F10-Y17 AromaticContact CD2-CE1 3.93Å; F10-Y17 HydrophobicContact CD2-CE1 3.93Å; F10-Y17 AromaticContact CD2-CE2 3.7Å; F10-Y17 HydrophobicContact CD2-CE2 3.7Å; F10-Y17 AromaticContact CD2-CG 3.96Å; F10-Y17 HydrophobicContact CD2-CG 3.96Å; F10-Y17 AromaticContact CD2-CZ 3.77Å; F10-Y17 HydrophobicContact CE2-CD2 4.27Å; F10-Y17 HydrophobicContact CE2-CE2 4.15Å; F10-Y17 HydrophobicContact CG-CE1 4.41Å; Y17-R19 PolarHBondContact O-N 2.88Å
18C91.4Very high89.8Confident7 Ų797.4 Ų97.45%0.04748%0.476CS..  trans-58.7134.3173.6-176.10000110.4C7 Y9 Q20 H32C7-C18 HydrophobicContact CB-CB 3.87Å; Y9-C18 WeakPolarHBondContact O-CB 3.39Å; Y9-C18 PolarHBondContact O-N 3.24Å; C18-Q20 PolarHBondContact SG-N 2.61Å; C18-Q20 VanDerWaalsContact SG-N 3.44Å; C18-H32 PolarHBondContact SG-CE1 3.49Å
19R90.2Very high89.8Confident181 Ų18195.9 Ų95.968%0.68346%0.46SS*.  trans-90.1-2.5179.7-63.9-176.3179.8179.8-2.2113.7Y17Y17-R19 PolarHBondContact O-N 2.88Å
20Q89.6Confident89.6Confident91 Ų9194.6 Ų94.643%0.42546%0.456SS..SBendtrans-73.9150.9177.7-66.9-177.7-11.800110.5C7 C18 C29 T31C7-Q20 VanDerWaalsContact CB-O 3.29Å; C7-Q20 WeakPolarHBondContact CB-O 3.26Å; C7-Q20 PolarHBondContact N-O 2.79Å; C18-Q20 PolarHBondContact SG-N 2.61Å; C18-Q20 VanDerWaalsContact SG-N 3.44Å; Q20-C29 HydrophobicContact CB-CB 3.58Å; Q20-C29 PolarHBondContact OE1-SG 3.14Å; Q20-T31 PolarHBondContact OE1-OG1 3.18Å
21L91.1Very high89.4Confident92 Ų9294.2 Ų94.248%0.48246%0.46SS..BIsolated β-bridgetrans-65.6141.6172.7-65.7178.1000110.3E4 C29E4-L21 HydrophobicContact CB-CD2 3.76Å; L21-C29 WeakPolarHBondContact O-CA 3.3Å; L21-C29 WeakPolarHBondContact O-CB 3.32Å
22R91Very high89.4Confident97 Ų9794.6 Ų94.637%0.36646%0.461SS..PPolyproline II helixtrans-70155173.376-169.7-173.4175.2-12.8110.8E5 S26 R28E5-R22 VanDerWaalsContact O-CG 3.3Å; E5-R22 WeakPolarHBondContact O-CG 3.37Å; E5-R22 PolarHBondContact O-N 2.99Å; E5-R22 IonicContact OE1-CZ 3.15Å; E5-R22 IonicContact OE1-NH1 3.07Å; E5-R22 IonicContact OE1-NH2 2.7Å; E5-R22 PolarHBondContact OE1-NH2 2.78Å; E5-R22 IonicContact OE2-CZ 2.77Å; E5-R22 IonicContact OE2-NE 3.46Å; E5-R22 IonicContact OE2-NH1 3.93Å; E5-R22 PolarHBondContact OE2-NH1 3.12Å; E5-R22 IonicContact OE2-NH2 3.85Å; E5-R22 PolarHBondContact OE2-NH2 3.03Å; R22-S26 WeakPolarHBondContact CB-O 3.43Å; R22-S26 VanDerWaalsContact CD-O 3.26Å; R22-S26 WeakPolarHBondContact CD-O 3.49Å; R22-S26 WeakPolarHBondContact CG-O 3.22Å; R22-R28 CarbonylContact C-O 3.6Å; R22-R28 WeakPolarHBondContact CA-O 3.43Å
23L87.2Confident89.3Confident60 Ų6089.3 Ų89.331%0.31443%0.432SS..PPolyproline II helixtrans-69.8149.9170.4-68.8170.9000109.7G25 S26 R28 F30 E33L23-G25 PolarHBondContact O-N 3.22Å; L23-G25 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-N 2.8Å; L23-R28 PolarHBondContact N-O 2.91Å; L23-F30 HydrophobicContact CD1-CD2 4.45Å; L23-F30 HydrophobicContact CD2-CB 4.15Å; L23-F30 HydrophobicContact CD2-CD2 4.47Å; L23-E33 HydrophobicContact CD1-CB 3.95Å; L23-E33 HydrophobicContact CD1-CG 3.94Å
24K87.1Confident89.4Confident220 Ų22086.9 Ų86.996%0.95743%0.43SS*.THydrogen-bonded Turntrans-59.6119.5175.4-171178.7-179-178.90109.2
25G88.3Confident89.3Confident89 Ų8985.5 Ų85.592%0.91844%0.437SS*.THydrogen-bonded Turntrans84.87.8-178.600000115.8L23L23-G25 PolarHBondContact O-N 3.22Å; L23-G25 VanDerWaalsContact O-N 3.13Å
26S89.8Confident89.1Confident24 Ų2481.3 Ų81.317%0.16842%0.416CS..  trans-127.7155.1175.8170.90000111.4R22 L23 R28 E33R22-S26 WeakPolarHBondContact CB-O 3.43Å; R22-S26 VanDerWaalsContact CD-O 3.26Å; R22-S26 WeakPolarHBondContact CD-O 3.49Å; R22-S26 WeakPolarHBondContact CG-O 3.22Å; L23-S26 PolarHBondContact O-N 2.8Å; S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact OG-N 3.05Å; S26-E33 VanDerWaalsContact CB-OE2 3.25Å; S26-E33 WeakPolarHBondContact CB-OE2 3.22Å; S26-E33 PolarHBondContact OG-OE2 3.13Å
27D91.5Very high88.8Confident83 Ų8380.3 Ų80.344%0.44442%0.424SS..SBendtrans-80.9-9.216977.8-23.6000112.6G8G8-D27 PolarHBondContact N-O 2.86Å
28R92.6Very high88.7Confident68 Ų6875.8 Ų75.826%0.25741%0.407SS..SBendtrans-108.7152.6-178-53.4-49161.2155.8-3.5113.5G8 R22 L23 S26 H32 E33G8-R28 PolarHBondContact O-NH1 2.83Å; R22-R28 CarbonylContact C-O 3.6Å; R22-R28 WeakPolarHBondContact CA-O 3.43Å; L23-R28 PolarHBondContact N-O 2.91Å; S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact OG-N 3.05Å; R28-H32 HydrophobicContact CB-CB 4.27Å; R28-E33 HydrophobicContact CB-CB 4.25Å
29C91.7Very high88.6Confident0 Ų077 Ų770%042%0.415CS..  trans-75.3169.9166.363.10000110.9C7 Q20 L21 T31 H32 E33C7-C29 HydrophobicContact CB-CB 3.7Å; C7-C29 PolarHBondContact SG-N 3.38Å; C7-C29 VanDerWaalsContact SG-SG 3.6Å; Q20-C29 HydrophobicContact CB-CB 3.58Å; Q20-C29 PolarHBondContact OE1-SG 3.14Å; L21-C29 WeakPolarHBondContact O-CA 3.3Å; L21-C29 WeakPolarHBondContact O-CB 3.32Å; C29-T31 PolarHBondContact O-N 2.82Å; C29-T31 VanDerWaalsContact O-N 3.1Å; C29-H32 PolarHBondContact O-N 3.07Å; C29-H32 VanDerWaalsContact O-N 3.13Å; C29-H32 PolarHBondContact SG-N 2.89Å; C29-H32 VanDerWaalsContact SG-N 3.42Å; C29-H32 PolarHBondContact SG-ND1 2.98Å; C29-E33 WeakPolarHBondContact O-CB 3.46Å; C29-E33 PolarHBondContact O-N 3.19Å
30F89.3Confident88.5Confident64 Ų6470.7 Ų70.728%0.28140%0.401SS..THydrogen-bonded Turntrans-55-31.8175.8-174.4-99.8000113.5L23 V36 K38 L48 T50L23-F30 HydrophobicContact CD1-CD2 4.45Å; L23-F30 HydrophobicContact CD2-CB 4.15Å; L23-F30 HydrophobicContact CD2-CD2 4.47Å; F30-V36 HydrophobicContact CE2-CG1 4.43Å; F30-K38 HydrophobicContact CD1-CD 4.42Å; F30-K38 HydrophobicContact CE1-CD 3.95Å; F30-K38 HydrophobicContact CE1-CG 4.28Å; F30-K38 HydrophobicContact CE2-CD 4.41Å; F30-K38 HydrophobicContact CE2-CG 4.5Å; F30-K38 HydrophobicContact CZ-CD 3.95Å; F30-K38 HydrophobicContact CZ-CG 3.91Å; F30-K38 VanDerWaalsContact O-CD 3.3Å; F30-K38 WeakPolarHBondContact O-CD 3.16Å; F30-K38 WeakPolarHBondContact O-CE 3.38Å; F30-K38 PolarHBondContact O-NZ 3.45Å; F30-L48 HydrophobicContact CE1-CB 4.22Å; F30-L48 WeakPolarHBondContact CE1-O 3.37Å; F30-T50 WeakPolarHBondContact CE2-OG1 3.41Å; F30-T50 WeakPolarHBondContact CZ-OG1 3.29Å
31T88.5Confident88.4Confident60 Ų6066.4 Ų66.437%0.36838%0.381SS..THydrogen-bonded Turntrans-72.3-44.7177.6-59.50000112.1Q20 C29 K38 L48Q20-T31 PolarHBondContact OE1-OG1 3.18Å; C29-T31 PolarHBondContact O-N 2.82Å; C29-T31 VanDerWaalsContact O-N 3.1Å; T31-K38 PolarHBondContact O-NZ 3.2Å; T31-L48 HydrophobicContact CG2-CD1 4.24Å
32H90Very high88.1Confident40 Ų4066.2 Ų66.219%0.18539%0.386CS..THydrogen-bonded Turntrans-91.7-4-173.4-60125.7000114.9Y9 C18 R28 C29 T34Y9-H32 WeakPolarHBondContact CB-ND1 3.47Å; Y9-H32 HydrophobicContact CD1-CB 4.4Å; Y9-H32 AromaticContact CD1-CD2 3.36Å; Y9-H32 WeakPolarHBondContact CD1-CD2 3.34Å; Y9-H32 AromaticContact CD1-CE1 3.39Å; Y9-H32 WeakPolarHBondContact CD1-CE1 3.36Å; Y9-H32 AromaticContact CD1-CG 3.55Å; Y9-H32 AromaticContact CD1-ND1 3.56Å; Y9-H32 AromaticContact CD1-NE2 3.28Å; Y9-H32 VanDerWaalsContact CD1-NE2 3.28Å; Y9-H32 WeakPolarHBondContact CD1-NE2 3.45Å; Y9-H32 HydrophobicContact CD2-CB 3.93Å; Y9-H32 AromaticContact CD2-CG 3.94Å; Y9-H32 AromaticContact CE1-CD2 3.53Å; Y9-H32 AromaticContact CE1-NE2 3.47Å; Y9-H32 WeakPolarHBondContact CE1-NE2 3.46Å; Y9-H32 HydrophobicContact CG-CB 3.77Å; Y9-H32 AromaticContact CG-CD2 3.62Å; Y9-H32 AromaticContact CG-CE1 3.95Å; Y9-H32 AromaticContact CG-CG 3.39Å; Y9-H32 AromaticContact CG-ND1 3.62Å; Y9-H32 AromaticContact CG-NE2 3.99Å; Y9-H32 AromaticContact CZ-CD2 3.97Å; C18-H32 PolarHBondContact SG-CE1 3.49Å; R28-H32 HydrophobicContact CB-CB 4.27Å; C29-H32 PolarHBondContact O-N 3.07Å; C29-H32 VanDerWaalsContact O-N 3.13Å; C29-H32 PolarHBondContact SG-N 2.89Å; C29-H32 VanDerWaalsContact SG-N 3.42Å; C29-H32 PolarHBondContact SG-ND1 2.98Å; H32-T34 PolarHBondContact O-N 3.17Å
33E88.3Confident87.7Confident20 Ų2065.1 Ų65.19%0.09339%0.387CS..  trans-67.5110177.917953.4-104.600112.6L23 S26 R28 C29 S35 V36 K38L23-E33 HydrophobicContact CD1-CB 3.95Å; L23-E33 HydrophobicContact CD1-CG 3.94Å; S26-E33 VanDerWaalsContact CB-OE2 3.25Å; S26-E33 WeakPolarHBondContact CB-OE2 3.22Å; S26-E33 PolarHBondContact OG-OE2 3.13Å; R28-E33 HydrophobicContact CB-CB 4.25Å; C29-E33 WeakPolarHBondContact O-CB 3.46Å; C29-E33 PolarHBondContact O-N 3.19Å; E33-S35 WeakPolarHBondContact CG-OG 3.38Å; E33-S35 WeakPolarHBondContact OE1-CB 3.22Å; E33-S35 PolarHBondContact OE1-N 3.44Å; E33-S35 PolarHBondContact OE1-OG 3.39Å; E33-V36 HydrophobicContact CG-CB 4.26Å; E33-V36 HydrophobicContact CG-CG2 3.78Å; E33-K38 WeakPolarHBondContact O-CE 3.39Å; E33-K38 PolarHBondContact O-NZ 3.27Å
34T85.3Confident87.2Confident138 Ų13863.8 Ų63.885%0.84738%0.38SS*.THydrogen-bonded Turntrans-80.2-23.3-176.451.30000113.3H32 V36H32-T34 PolarHBondContact O-N 3.17Å; T34-V36 PolarHBondContact O-N 3.19Å
35S82.9Confident87Confident98 Ų9857.9 Ų57.969%0.68536%0.364SS*.THydrogen-bonded Turntrans-67.8-18-179.261.80000114E33E33-S35 WeakPolarHBondContact CG-OG 3.38Å; E33-S35 WeakPolarHBondContact OE1-CB 3.22Å; E33-S35 PolarHBondContact OE1-N 3.44Å; E33-S35 PolarHBondContact OE1-OG 3.39Å
36V82.6Confident86.6Confident45 Ų4558.5 Ų58.527%0.27335%0.354SS..SBendtrans-101.6116.7-177.9-179.50000109.7F30 E33 T34 K38 T50F30-V36 HydrophobicContact CE2-CG1 4.43Å; E33-V36 HydrophobicContact CG-CB 4.26Å; E33-V36 HydrophobicContact CG-CG2 3.78Å; T34-V36 PolarHBondContact O-N 3.19Å; V36-K38 HydrophobicContact CG1-CG 4.14Å; V36-K38 WeakPolarHBondContact O-CE 3.25Å; V36-K38 WeakPolarHBondContact O-CG 3.22Å; V36-K38 PolarHBondContact O-N 3.08Å; V36-T50 HydrophobicContact CG1-CG2 3.65Å
37A85.9Confident86.2Confident68 Ų6860.2 Ų60.256%0.56236%0.359SS*.  trans-63.3109.7172.100000110.4R51A37-R51 HydrophobicContact CB-CB 4.49Å; A37-R51 PolarHBondContact O-N 3.3Å
38K88.5Confident86Confident46 Ų4659.4 Ų59.420%0.236%0.355CS..EExtended strand (participates in β ladder)trans-115152.8-179.4-67.5166.3-126157.80110.3F30 T31 E33 V36 L48 V49F30-K38 HydrophobicContact CD1-CD 4.42Å; F30-K38 HydrophobicContact CE1-CD 3.95Å; F30-K38 HydrophobicContact CE1-CG 4.28Å; F30-K38 HydrophobicContact CE2-CD 4.41Å; F30-K38 HydrophobicContact CE2-CG 4.5Å; F30-K38 HydrophobicContact CZ-CD 3.95Å; F30-K38 HydrophobicContact CZ-CG 3.91Å; F30-K38 VanDerWaalsContact O-CD 3.3Å; F30-K38 WeakPolarHBondContact O-CD 3.16Å; F30-K38 WeakPolarHBondContact O-CE 3.38Å; F30-K38 PolarHBondContact O-NZ 3.45Å; T31-K38 PolarHBondContact O-NZ 3.2Å; E33-K38 WeakPolarHBondContact O-CE 3.39Å; E33-K38 PolarHBondContact O-NZ 3.27Å; V36-K38 HydrophobicContact CG1-CG 4.14Å; V36-K38 WeakPolarHBondContact O-CE 3.25Å; V36-K38 WeakPolarHBondContact O-CG 3.22Å; V36-K38 PolarHBondContact O-N 3.08Å; K38-L48 HydrophobicContact CB-CB 4.38Å; K38-L48 HydrophobicContact CD-CB 4.41Å; K38-L48 HydrophobicContact CD-CD1 4.19Å; K38-V49 CarbonylContact C-O 3.5Å; K38-V49 VanDerWaalsContact CA-O 3.31Å; K38-V49 WeakPolarHBondContact CA-O 3.48Å
39V89.2Confident85.9Confident34 Ų3456.8 Ų56.821%0.20635%0.346CS..EExtended strand (participates in β ladder)trans-131151.7170.6-65.10000108.4L48 V49 R51 L54V39-L48 WeakPolarHBondContact O-CA 3.42Å; V39-V49 PolarHBondContact N-O 3.32Å; V39-V49 PolarHBondContact O-N 3.48Å; V39-R51 HydrophobicContact CG1-CB 4.48Å; V39-R51 HydrophobicContact CG1-CG 4.26Å; V39-L54 HydrophobicContact CG2-CD1 4.12Å; V39-L54 HydrophobicContact CG2-CD2 4.12Å
40A88.1Confident85.9Confident47 Ų4758.1 Ų58.139%0.38835%0.354SS..EExtended strand (participates in β ladder)trans-64.8142.9167.800000109.1P42 P45 L48A40-P42 WeakPolarHBondContact O-CD 3.36Å; A40-P45 HydrophobicContact CB-CB 4.27Å; A40-L48 HydrophobicContact CB-CD2 4.29Å
41C88.1Confident85.9Confident1 Ų163.5 Ų63.51%0.00737%0.373CS..EExtended strand (participates in β ladder)trans-63.5126.9174.6171.80000109.8L43 D44 P45 H47 V49 H57C41-L43 PolarHBondContact O-N 3.25Å; C41-L43 PolarHBondContact SG-N 3.05Å; C41-D44 WeakPolarHBondContact CB-O 3.47Å; C41-D44 CarbonylContact O-C 3.56Å; C41-D44 PolarHBondContact O-N 3.03Å; C41-P45 WeakPolarHBondContact O-CA 3.43Å; C41-H47 WeakPolarHBondContact CB-CE1 3.49Å; C41-H47 VanDerWaalsContact CB-NE2 3.35Å; C41-H47 WeakPolarHBondContact CB-NE2 3.37Å; C41-H47 PolarHBondContact N-O 3.39Å; C41-V49 HydrophobicContact CB-CG2 4.14Å; C41-H57 PolarHBondContact SG-NE2 2.93Å
42P85.3Confident86Confident89 Ų8965.7 Ų65.758%0.57839%0.391SS*.THydrogen-bonded Turntrans-59.1-28.8175.9-25.233.3000114A40 L54 L58A40-P42 WeakPolarHBondContact O-CD 3.36Å; P42-L54 HydrophobicContact CG-CD1 4.28Å; P42-L58 HydrophobicContact CG-CD2 4.37Å
43L80.9Confident86.1Confident74 Ų7469.6 Ų69.639%0.38741%0.407SS..THydrogen-bonded Turntrans-85.3-21.6179.4-57.7171.6000113.2C41 L58 C61 K63 E64C41-L43 PolarHBondContact O-N 3.25Å; C41-L43 PolarHBondContact SG-N 3.05Å; L43-L58 HydrophobicContact CD1-CD2 3.56Å; L43-L58 HydrophobicContact CG-CD2 3.65Å; L43-C61 HydrophobicContact CD1-CB 3.81Å; L43-K63 HydrophobicContact CB-CB 4.28Å; L43-E64 HydrophobicContact CD1-CB 3.49Å; L43-E64 VanDerWaalsContact CD1-CB 3.49Å; L43-E64 HydrophobicContact CD1-CG 3.73Å
44D78Confident86.2Confident32 Ų3270.6 Ų70.617%0.17141%0.413CS..EExtended strand (participates in β ladder)trans-15994.5176.9175.55.5000110.1C41 S46 H47 K63C41-D44 WeakPolarHBondContact CB-O 3.47Å; C41-D44 CarbonylContact O-C 3.56Å; C41-D44 PolarHBondContact O-N 3.03Å; D44-S46 PolarHBondContact O-N 2.97Å; D44-S46 WeakPolarHBondContact OD1-CB 3.41Å; D44-S46 PolarHBondContact OD1-N 2.91Å; D44-S46 VanDerWaalsContact OD1-N 3.07Å; D44-S46 PolarHBondContact OD1-OG 2.84Å; D44-S46 PolarHBondContact OD2-OG 3.15Å; D44-H47 PolarHBondContact O-CE1 3.36Å; D44-H47 PolarHBondContact O-N 3.46Å; D44-H47 PolarHBondContact O-ND1 3.4Å; D44-H47 IonicContact OD2-ND1 3.49Å; D44-K63 HydrophobicContact CB-CB 4.42Å; D44-K63 HydrophobicContact CB-CD 4.49Å; D44-K63 HydrophobicContact CB-CG 3.87Å; D44-K63 VanDerWaalsContact OD2-CE 3.28Å; D44-K63 WeakPolarHBondContact OD2-CE 3.48Å; D44-K63 IonicContact OD2-NZ 3.59Å
45P82.9Confident86.4Confident96 Ų9670.1 Ų70.162%0.62340%0.401SS*.EExtended strand (participates in β ladder)trans-63.1-7.5-176.8-25.435.1000115.2A40 C41 H47A40-P45 HydrophobicContact CB-CB 4.27Å; C41-P45 WeakPolarHBondContact O-CA 3.43Å; P45-H47 PolarHBondContact O-N 3.21Å
46S78.4Confident86.8Confident102 Ų10273 Ų7371%0.71340%0.401SS*.EExtended strand (participates in β ladder)trans-69.2-11.6179.473.40000114.2D44D44-S46 PolarHBondContact O-N 2.97Å; D44-S46 WeakPolarHBondContact OD1-CB 3.41Å; D44-S46 PolarHBondContact OD1-N 2.91Å; D44-S46 VanDerWaalsContact OD1-N 3.07Å; D44-S46 PolarHBondContact OD1-OG 2.84Å; D44-S46 PolarHBondContact OD2-OG 3.15Å
47H82.5Confident87.2Confident60 Ų6072 Ų7228%0.27839%0.393SS..EExtended strand (participates in β ladder)trans-132.7153.9177.173.2-77.6000112.8C41 D44 P45 H57C41-H47 WeakPolarHBondContact CB-CE1 3.49Å; C41-H47 VanDerWaalsContact CB-NE2 3.35Å; C41-H47 WeakPolarHBondContact CB-NE2 3.37Å; C41-H47 PolarHBondContact N-O 3.39Å; D44-H47 PolarHBondContact O-CE1 3.36Å; D44-H47 PolarHBondContact O-N 3.46Å; D44-H47 PolarHBondContact O-ND1 3.4Å; D44-H47 IonicContact OD2-ND1 3.49Å; P45-H47 PolarHBondContact O-N 3.21Å; H47-H57 AromaticContact CD2-CE1 3.96Å; H47-H57 AromaticContact CE1-CE1 3.95Å; H47-H57 AromaticContact CE1-NE2 3.96Å; H47-H57 AromaticContact NE2-CE1 2.99Å; H47-H57 PolarHBondContact NE2-CE1 2.81Å; H47-H57 AromaticContact NE2-NE2 3.25Å; H47-H57 PolarHBondContact NE2-NE2 2.9Å
48L87.8Confident87.2Confident66 Ų6670.8 Ų70.835%0.34638%0.377SS..EExtended strand (participates in β ladder)trans-101.7146.5-177.4-61.5178.7000110.9F30 T31 K38 V39 A40F30-L48 HydrophobicContact CE1-CB 4.22Å; F30-L48 WeakPolarHBondContact CE1-O 3.37Å; T31-L48 HydrophobicContact CG2-CD1 4.24Å; K38-L48 HydrophobicContact CB-CB 4.38Å; K38-L48 HydrophobicContact CD-CB 4.41Å; K38-L48 HydrophobicContact CD-CD1 4.19Å; V39-L48 WeakPolarHBondContact O-CA 3.42Å; A40-L48 HydrophobicContact CB-CD2 4.29Å
49V90Very high87.1Confident13 Ų1374.9 Ų74.98%0.07940%0.395CS..EExtended strand (participates in β ladder)trans-131.4142.3176.5-172.40000108.3K38 V39 C41 R51 K53 H57K38-V49 CarbonylContact C-O 3.5Å; K38-V49 VanDerWaalsContact CA-O 3.31Å; K38-V49 WeakPolarHBondContact CA-O 3.48Å; V39-V49 PolarHBondContact N-O 3.32Å; V39-V49 PolarHBondContact O-N 3.48Å; C41-V49 HydrophobicContact CB-CG2 4.14Å; V49-R51 PolarHBondContact O-N 3.06Å; V49-K53 HydrophobicContact CG1-CB 4.41Å; V49-H57 HydrophobicContact CG1-CB 3.61Å; V49-H57 HydrophobicContact CG2-CB 4.37Å
50T91Very high86.6Confident27 Ų2781.8 Ų81.817%0.16642%0.417CS..EExtended strand (participates in β ladder)trans-61.3133.6171.5-49.80000109.3F30 V36 S52 K53 L54F30-T50 WeakPolarHBondContact CE2-OG1 3.41Å; F30-T50 WeakPolarHBondContact CZ-OG1 3.29Å; V36-T50 HydrophobicContact CG1-CG2 3.65Å; T50-S52 WeakPolarHBondContact CG2-OG 3.48Å; T50-S52 PolarHBondContact O-N 3.04Å; T50-S52 VanDerWaalsContact O-N 3.14Å; T50-K53 CarbonylContact O-C 3.54Å; T50-K53 WeakPolarHBondContact O-CA 3.43Å; T50-K53 PolarHBondContact O-N 3.44Å; T50-L54 PolarHBondContact O-N 3.46Å
51R90.3Very high86.4Confident177 Ų17779.8 Ų79.867%0.66840%0.401SS*.G310 helixtrans-53.2-40.3-176.6-164.5172.9-172.6132.3-0.3112.7A37 V39 V49 K53 L54A37-R51 HydrophobicContact CB-CB 4.49Å; A37-R51 PolarHBondContact O-N 3.3Å; V39-R51 HydrophobicContact CG1-CB 4.48Å; V39-R51 HydrophobicContact CG1-CG 4.26Å; V49-R51 PolarHBondContact O-N 3.06Å; R51-K53 VanDerWaalsContact C-N 3.27Å; R51-K53 PolarHBondContact O-N 3.41Å; R51-L54 WeakPolarHBondContact O-CB 3.28Å; R51-L54 PolarHBondContact O-N 3.34Å
52S90.7Very high85.7Confident107 Ų10786.7 Ų86.775%0.74844%0.438SS*.G310 helixtrans-67.2-20.5177.159.90000115T50T50-S52 WeakPolarHBondContact CG2-OG 3.48Å; T50-S52 PolarHBondContact O-N 3.04Å; T50-S52 VanDerWaalsContact O-N 3.14Å
53K91.3Very high85.1Confident122 Ų12287.3 Ų87.353%0.5343%0.431SS..G310 helixtrans-104.33.1179.7-67-176.6179.5175.50112.7V49 T50 R51 E55 K56 H57V49-K53 HydrophobicContact CG1-CB 4.41Å; T50-K53 CarbonylContact O-C 3.54Å; T50-K53 WeakPolarHBondContact O-CA 3.43Å; T50-K53 PolarHBondContact O-N 3.44Å; R51-K53 VanDerWaalsContact C-N 3.27Å; R51-K53 PolarHBondContact O-N 3.41Å; K53-E55 PolarHBondContact O-N 3.04Å; K53-K56 PolarHBondContact O-N 3.28Å; K53-H57 WeakPolarHBondContact O-CB 3.44Å; K53-H57 PolarHBondContact O-N 3.45Å
54L91.2Very high84.1Confident41 Ų4187.6 Ų87.622%0.21543%0.431CS..Hα-helixtrans-57.3-49.1-175.4-179.363.2000111.8V39 P42 T50 R51 K56 H57 L58V39-L54 HydrophobicContact CG2-CD1 4.12Å; V39-L54 HydrophobicContact CG2-CD2 4.12Å; P42-L54 HydrophobicContact CG-CD1 4.28Å; T50-L54 PolarHBondContact O-N 3.46Å; R51-L54 WeakPolarHBondContact O-CB 3.28Å; R51-L54 PolarHBondContact O-N 3.34Å; L54-K56 PolarHBondContact O-N 3.44Å; L54-H57 WeakPolarHBondContact O-CB 3.49Å; L54-H57 PolarHBondContact O-N 2.84Å; L54-H57 VanDerWaalsContact O-N 3.11Å; L54-L58 HydrophobicContact CD1-CD1 4.47Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.25Å; L54-L58 HydrophobicContact CG-CG 4.44Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 2.94Å
55E89.6Confident83.1Confident127 Ų12792.7 Ų92.759%0.59345%0.453SS*.Hα-helixtrans-63.5-44.1-177.7-161.3-160143.300112.5K53 H57 L58 K59K53-E55 PolarHBondContact O-N 3.04Å; E55-H57 VanDerWaalsContact C-N 3.28Å; E55-H57 PolarHBondContact O-N 3.4Å; E55-L58 PolarHBondContact O-N 3.13Å; E55-K59 PolarHBondContact O-N 3.1Å; E55-K59 IonicContact OE1-NZ 2.61Å; E55-K59 PolarHBondContact OE1-NZ 2.85Å
56K90.6Very high82.1Confident159 Ų15996 Ų9669%0.69145%0.453SS*.Hα-helixtrans-66.9-30.7174.4-70.8-173.6-178.6-178.30112.4K53 L54 R60K53-K56 PolarHBondContact O-N 3.28Å; L54-K56 PolarHBondContact O-N 3.44Å; K56-R60 WeakPolarHBondContact O-CG 3.24Å
57H89.9Confident81.6Confident24 Ų2498 Ų9811%0.11146%0.46CS..Hα-helixtrans-69.7-47.2176.2163.881.9000111.1C41 H47 V49 K53 L54 E55 K59 R60 C61C41-H57 PolarHBondContact SG-NE2 2.93Å; H47-H57 AromaticContact CD2-CE1 3.96Å; H47-H57 AromaticContact CE1-CE1 3.95Å; H47-H57 AromaticContact CE1-NE2 3.96Å; H47-H57 AromaticContact NE2-CE1 2.99Å; H47-H57 PolarHBondContact NE2-CE1 2.81Å; H47-H57 AromaticContact NE2-NE2 3.25Å; H47-H57 PolarHBondContact NE2-NE2 2.9Å; V49-H57 HydrophobicContact CG1-CB 3.61Å; V49-H57 HydrophobicContact CG2-CB 4.37Å; K53-H57 WeakPolarHBondContact O-CB 3.44Å; K53-H57 PolarHBondContact O-N 3.45Å; L54-H57 WeakPolarHBondContact O-CB 3.49Å; L54-H57 PolarHBondContact O-N 2.84Å; L54-H57 VanDerWaalsContact O-N 3.11Å; E55-H57 VanDerWaalsContact C-N 3.28Å; E55-H57 PolarHBondContact O-N 3.4Å; H57-K59 VanDerWaalsContact C-N 3.34Å; H57-K59 PolarHBondContact O-N 3.2Å; H57-R60 CarbonylContact O-C 3.19Å; H57-R60 WeakPolarHBondContact O-CG 3.27Å; H57-R60 PolarHBondContact O-N 2.94Å; H57-R60 VanDerWaalsContact O-N 3.11Å; H57-C61 WeakPolarHBondContact O-CA 2.85Å; H57-C61 WeakPolarHBondContact O-CB 3.21Å; H57-C61 PolarHBondContact O-N 3.11Å
58L87.5Confident81.3Confident42 Ų42100.7 Ų100.722%0.2247%0.471CS..Hα-helixtrans-53-53.5-178.1-71.8174.1000110.2P42 L43 L54 E55 R60 C61 E64P42-L58 HydrophobicContact CG-CD2 4.37Å; L43-L58 HydrophobicContact CD1-CD2 3.56Å; L43-L58 HydrophobicContact CG-CD2 3.65Å; L54-L58 HydrophobicContact CD1-CD1 4.47Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.25Å; L54-L58 HydrophobicContact CG-CG 4.44Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 2.94Å; E55-L58 PolarHBondContact O-N 3.13Å; L58-R60 PolarHBondContact O-N 2.89Å; L58-C61 WeakPolarHBondContact O-CB 3.45Å; L58-C61 PolarHBondContact O-N 3.4Å; L58-E64 VanDerWaalsContact O-CD 3.24Å
59K85.6Confident81.4Confident132 Ų13299.2 Ų99.257%0.57447%0.469SS*.THydrogen-bonded Turntrans-54.4-18.1178.9-66.3176-173.4168.70116.6E55 H57 E64E55-K59 PolarHBondContact O-N 3.1Å; E55-K59 IonicContact OE1-NZ 2.61Å; E55-K59 PolarHBondContact OE1-NZ 2.85Å; H57-K59 VanDerWaalsContact C-N 3.34Å; H57-K59 PolarHBondContact O-N 3.2Å; K59-E64 VanDerWaalsContact CA-OE2 3.22Å; K59-E64 WeakPolarHBondContact CA-OE2 3.4Å; K59-E64 PolarHBondContact N-OE2 2.51Å
60R79.7Confident81.6Confident179 Ų179102.1 Ų102.168%0.67549%0.494SS*.THydrogen-bonded Turntrans-126.98.3-179.671-174.6179.8159.22.9111.8K56 H57 L58 N62K56-R60 WeakPolarHBondContact O-CG 3.24Å; H57-R60 CarbonylContact O-C 3.19Å; H57-R60 WeakPolarHBondContact O-CG 3.27Å; H57-R60 PolarHBondContact O-N 2.94Å; H57-R60 VanDerWaalsContact O-N 3.11Å; L58-R60 PolarHBondContact O-N 2.89Å; R60-N62 PolarHBondContact O-N 3.47Å
61C82.6Confident81.9Confident6 Ų6103.5 Ų103.54%0.04150%0.496CS..  trans-67.9122.4-178.2-176.40000106.3L43 H57 L58 K63 E64L43-C61 HydrophobicContact CD1-CB 3.81Å; H57-C61 WeakPolarHBondContact O-CA 2.85Å; H57-C61 WeakPolarHBondContact O-CB 3.21Å; H57-C61 PolarHBondContact O-N 3.11Å; L58-C61 WeakPolarHBondContact O-CB 3.45Å; L58-C61 PolarHBondContact O-N 3.4Å; C61-K63 PolarHBondContact O-N 3.47Å; C61-E64 HydrophobicContact CB-CB 4.4Å; C61-E64 PolarHBondContact O-N 2.92Å
62N74.6Confident82.1Confident146 Ų14697.3 Ų97.378%0.78148%0.477SS*.THydrogen-bonded Turntrans-57.6-9.1177.6-66.8-18.7000113.2R60R60-N62 PolarHBondContact O-N 3.47Å
63K71.3Confident82.4Confident102 Ų10294 Ų9444%0.44345%0.452SS..THydrogen-bonded Turntrans-97-18.1178.9-57.7-72.8-171.91600113.6L43 D44 C61 H65L43-K63 HydrophobicContact CB-CB 4.28Å; D44-K63 HydrophobicContact CB-CB 4.42Å; D44-K63 HydrophobicContact CB-CD 4.49Å; D44-K63 HydrophobicContact CB-CG 3.87Å; D44-K63 VanDerWaalsContact OD2-CE 3.28Å; D44-K63 WeakPolarHBondContact OD2-CE 3.48Å; D44-K63 IonicContact OD2-NZ 3.59Å; C61-K63 PolarHBondContact O-N 3.47Å; K63-H65 VanDerWaalsContact C-N 3.34Å; K63-H65 PolarHBondContact O-N 3.04Å
64E61.6Low82.5Confident80 Ų8093 Ų9337%0.37446%0.456SS..THydrogen-bonded Turntrans-66.9-34.2-178.7-162.5171.2-140.500112.4L43 L58 K59 C61L43-E64 HydrophobicContact CD1-CB 3.49Å; L43-E64 VanDerWaalsContact CD1-CB 3.49Å; L43-E64 HydrophobicContact CD1-CG 3.73Å; L58-E64 VanDerWaalsContact O-CD 3.24Å; K59-E64 VanDerWaalsContact CA-OE2 3.22Å; K59-E64 WeakPolarHBondContact CA-OE2 3.4Å; K59-E64 PolarHBondContact N-OE2 2.51Å; C61-E64 HydrophobicContact CB-CB 4.4Å; C61-E64 PolarHBondContact O-N 2.92Å
65H56.4Low82.6Confident138 Ų13891.5 Ų91.564%0.63945%0.451SS*.THydrogen-bonded Turntrans-107.315.4-166.7-61.9-58000115.7K63 V67K63-H65 VanDerWaalsContact C-N 3.34Å; K63-H65 PolarHBondContact O-N 3.04Å; H65-V67 PolarHBondContact O-N 2.61Å; H65-V67 VanDerWaalsContact O-N 3.11Å
66R62Low82.9Confident167 Ų16788 Ų8863%0.6344%0.435SS*.  trans-82.395171.3-70.1-171.4-180-163.4-3.6108.2K68R66-K68 PolarHBondContact O-N 3.22Å
67V67.4Low83.3Confident142 Ų14280.6 Ų80.686%0.86140%0.403SS*.  trans-49.4114.2155.6177.40000105.5H65 A69H65-V67 PolarHBondContact O-N 2.61Å; H65-V67 VanDerWaalsContact O-N 3.11Å; V67-A69 PolarHBondContact O-N 2.84Å
68K76.9Confident83.5Confident118 Ų11880.7 Ų80.751%0.51341%0.407SS..  trans-58.2128177.1-83.7-168166.8-139.40107.3R66 D72 T74R66-K68 PolarHBondContact O-N 3.22Å; K68-D72 HydrophobicContact CB-CB 4.3Å; K68-D72 HydrophobicContact CD-CB 4.48Å; K68-D72 HydrophobicContact CG-CB 4.5Å; K68-D72 IonicContact NZ-OD1 3.87Å; K68-D72 PolarHBondContact NZ-OD1 3.44Å; K68-D72 IonicContact NZ-OD2 2.58Å; K68-T74 PolarHBondContact NZ-OG1 3.31Å
69A89.5Confident83.5Confident35 Ų3581.2 Ų81.229%0.28942%0.417SS..  trans-60.6151.4173.500000109.2V67 Y71 D72V67-A69 PolarHBondContact O-N 2.84Å; A69-Y71 HydrophobicContact CB-CD1 3.89Å; A69-Y71 HydrophobicContact CB-CD2 3.95Å; A69-Y71 HydrophobicContact CB-CE1 3.48Å; A69-Y71 VanDerWaalsContact CB-CE1 3.48Å; A69-Y71 HydrophobicContact CB-CE2 3.52Å; A69-Y71 HydrophobicContact CB-CG 4.11Å; A69-Y71 PolarHBondContact O-N 3.38Å; A69-D72 WeakPolarHBondContact O-CB 3.47Å; A69-D72 PolarHBondContact O-N 3.14Å
70A94.2Very high83Confident73 Ų7378.1 Ų78.160%0.60341%0.406SS*.THydrogen-bonded Turntrans-56.8-27.8-178.200000113.3R296A70-R296 WeakPolarHBondContact O-CD 3.25Å
71Y96.6Very high82.1Confident57 Ų5775.4 Ų75.422%0.22441%0.405CS..THydrogen-bonded Turntrans-83.2-0.4176.557-107.4000115.3A69 V73 I285 I287 D291 L292 D293 V297A69-Y71 HydrophobicContact CB-CD1 3.89Å; A69-Y71 HydrophobicContact CB-CD2 3.95Å; A69-Y71 HydrophobicContact CB-CE1 3.48Å; A69-Y71 VanDerWaalsContact CB-CE1 3.48Å; A69-Y71 HydrophobicContact CB-CE2 3.52Å; A69-Y71 HydrophobicContact CB-CG 4.11Å; A69-Y71 PolarHBondContact O-N 3.38Å; Y71-V73 PolarHBondContact O-N 3.42Å; Y71-I285 HydrophobicContact CD2-CG2 4.23Å; Y71-I285 HydrophobicContact CE2-CG2 3.46Å; Y71-I285 VanDerWaalsContact CE2-CG2 3.46Å; Y71-I287 HydrophobicContact CD2-CD1 3.97Å; Y71-I287 HydrophobicContact CE2-CD1 4.26Å; Y71-D291 VanDerWaalsContact O-O 3.14Å; Y71-L292 HydrophobicContact CD2-CD1 3.92Å; Y71-L292 HydrophobicContact CG-CD1 4.35Å; Y71-D293 VanDerWaalsContact CB-O 3.26Å; Y71-D293 WeakPolarHBondContact CB-O 3.23Å; Y71-D293 PolarHBondContact O-N 2.86Å; Y71-V297 HydrophobicContact CD1-CG2 3.99Å; Y71-V297 HydrophobicContact CG-CG2 3.9Å
72D95.6Very high80.6Confident47 Ų4779.9 Ų79.925%0.25144%0.435SS..BIsolated β-bridgetrans-90.186.5173.9-177.2-28.3000109.3K68 A69 I287K68-D72 HydrophobicContact CB-CB 4.3Å; K68-D72 HydrophobicContact CD-CB 4.48Å; K68-D72 HydrophobicContact CG-CB 4.5Å; K68-D72 IonicContact NZ-OD1 3.87Å; K68-D72 PolarHBondContact NZ-OD1 3.44Å; K68-D72 IonicContact NZ-OD2 2.58Å; A69-D72 WeakPolarHBondContact O-CB 3.47Å; A69-D72 PolarHBondContact O-N 3.14Å; D72-I287 HydrophobicContact CB-CD1 3.91Å
73V96Very high79.3Confident38 Ų3881 Ų8123%0.2344%0.441CS..  trans-113.399.5-179.3-173.80000108.6Y71 G75 I76 D291 D293Y71-V73 PolarHBondContact O-N 3.42Å; V73-G75 PolarHBondContact O-N 2.87Å; V73-I76 HydrophobicContact CB-CB 4.08Å; V73-I76 HydrophobicContact CB-CD1 4.2Å; V73-I76 HydrophobicContact CB-CG2 4.19Å; V73-I76 HydrophobicContact CG1-CB 3.98Å; V73-I76 HydrophobicContact CG1-CD1 4.11Å; V73-I76 HydrophobicContact CG1-CG1 4.42Å; V73-I76 WeakPolarHBondContact O-CB 3.25Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.17Å; V73-I76 PolarHBondContact O-N 3.43Å; V73-I76 VanDerWaalsContact O-N 3.17Å; V73-D291 CarbonylContact C-O 3.13Å; V73-D291 PolarHBondContact N-O 3.38Å; V73-D291 CarbonylContact O-C 3.59Å; V73-D291 VanDerWaalsContact O-CA 3.3Å; V73-D291 WeakPolarHBondContact O-CA 3.45Å; V73-D293 HydrophobicContact CB-CB 4.26Å; V73-D293 HydrophobicContact CG2-CB 3.79Å
74T93.6Very high78.3Confident100 Ų10079.2 Ų79.261%0.61344%0.442SS*.THydrogen-bonded Turntrans-48.7122-174.3-53.90000112.4K68 I76 D291K68-T74 PolarHBondContact NZ-OG1 3.31Å; T74-I76 PolarHBondContact O-N 3.11Å; T74-D291 WeakPolarHBondContact CA-OD1 3.32Å
75G94.1Very high77.6Confident10 Ų1084.5 Ų84.510%0.10346%0.463CS..THydrogen-bonded Turntrans71.45.1172.400000115.8V73 N77 S78 L81 A290 D291V73-G75 PolarHBondContact O-N 2.87Å; G75-N77 PolarHBondContact O-N 3.45Å; G75-S78 PolarHBondContact O-N 2.92Å; G75-L81 WeakPolarHBondContact O-CD1 3.45Å; G75-A290 CarbonylContact C-O 3.51Å; G75-A290 WeakPolarHBondContact CA-O 3.39Å; G75-D291 PolarHBondContact N-OD1 3.22Å
76I96.3Very high77.5Confident54 Ų5485.8 Ų85.828%0.27747%0.473SS..THydrogen-bonded Turntrans-51.7-31.1-175.4-167.6173000113.9V73 T74 A290 D293 N328V73-I76 HydrophobicContact CB-CB 4.08Å; V73-I76 HydrophobicContact CB-CD1 4.2Å; V73-I76 HydrophobicContact CB-CG2 4.19Å; V73-I76 HydrophobicContact CG1-CB 3.98Å; V73-I76 HydrophobicContact CG1-CD1 4.11Å; V73-I76 HydrophobicContact CG1-CG1 4.42Å; V73-I76 WeakPolarHBondContact O-CB 3.25Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.17Å; V73-I76 PolarHBondContact O-N 3.43Å; V73-I76 VanDerWaalsContact O-N 3.17Å; T74-I76 PolarHBondContact O-N 3.11Å; I76-A290 PolarHBondContact N-O 2.77Å; I76-A290 VanDerWaalsContact N-O 3.16Å; I76-D293 HydrophobicContact CD1-CB 3.75Å; I76-D293 HydrophobicContact CG2-CB 4.47Å; I76-N328 PolarHBondContact O-ND2 2.88Å
77N97.2Very high77.1Confident2 Ų282.4 Ų82.41%0.01147%0.471CS..THydrogen-bonded Turntrans-101.6-5.4-179.7-55.8-42.4000113.8G75 I289 A290 L292 L321 R324 C325 N328G75-N77 PolarHBondContact O-N 3.45Å; N77-I289 PolarHBondContact ND2-O 3.24Å; N77-A290 PolarHBondContact N-O 3.16Å; N77-L292 PolarHBondContact ND2-O 3.31Å; N77-L321 HydrophobicContact CB-CD2 4.4Å; N77-L321 VanDerWaalsContact O-CD2 3.29Å; N77-L321 WeakPolarHBondContact O-CD2 3.28Å; N77-R324 HydrophobicContact CB-CB 4.5Å; N77-R324 PolarHBondContact O-NE 3.18Å; N77-R324 PolarHBondContact O-NH1 3.24Å; N77-C325 HydrophobicContact CB-CB 4.42Å; N77-C325 WeakPolarHBondContact ND2-CB 3.44Å; N77-C325 PolarHBondContact ND2-SG 2.92Å; N77-C325 VanDerWaalsContact OD1-CA 3.31Å; N77-C325 WeakPolarHBondContact OD1-CA 3.23Å; N77-N328 PolarHBondContact OD1-ND2 3.32Å
78S95.2Very high76.4Confident27 Ų2780.9 Ų80.919%0.18946%0.464CS..  trans-83.6142175.7177.40000111G75 N80 E352G75-S78 PolarHBondContact O-N 2.92Å; S78-N80 VanDerWaalsContact C-N 3.31Å; S78-N80 PolarHBondContact OG-N 3.21Å; S78-E352 PolarHBondContact OG-OE1 3.12Å
79A87.8Confident75.7Confident52 Ų5283.7 Ų83.743%0.4348%0.476SS..G310 helixtrans-89.7-7.1177.800000111.1L81 N351 E352A79-L81 VanDerWaalsContact C-N 3.26Å; A79-L81 PolarHBondContact O-N 3.37Å; A79-N351 WeakPolarHBondContact CB-O 3.08Å; A79-E352 PolarHBondContact N-OE2 3.29Å
80N75.4Confident74.5Confident67 Ų6786.1 Ų86.136%0.35849%0.487SS..G310 helixtrans-81.36.7-177.9-72.9-47.1000113.8S78 C82 N351 E352S78-N80 VanDerWaalsContact C-N 3.31Å; S78-N80 PolarHBondContact OG-N 3.21Å; N80-C82 PolarHBondContact O-N 3.19Å; N80-N351 WeakPolarHBondContact OD1-CB 3.47Å; N80-N351 PolarHBondContact OD1-ND2 2.81Å; N80-E352 PolarHBondContact ND2-OE1 3.3Å
81L60Low73.7Confident122 Ų12285.4 Ų85.464%0.63948%0.478SS*.G310 helixtrans-63.9-23.8177.6-97.391000113.9G75 A79 N83G75-L81 WeakPolarHBondContact O-CD1 3.45Å; A79-L81 VanDerWaalsContact C-N 3.26Å; A79-L81 PolarHBondContact O-N 3.37Å; L81-N83 PolarHBondContact O-N 3.3Å
82C51.5Low72.7Confident101 Ų10186.6 Ų86.668%0.68249%0.488SS*.SBendtrans-77.2119.3169.7-670000108.7N80 S84N80-C82 PolarHBondContact O-N 3.19Å; C82-S84 PolarHBondContact O-N 3.17Å; C82-S84 PolarHBondContact O-OG 3.17Å
83N46.2Very low71.9Confident169 Ų16988.5 Ų88.590%0.90451%0.51SS*.  trans-43.471.5169.9-83.2-20.7000112.6L81 K85L81-N83 PolarHBondContact O-N 3.3Å; N83-K85 PolarHBondContact O-N 3.47Å; N83-K85 VanDerWaalsContact O-N 3.15Å
84S51.3Low71.4Confident65 Ų6592.2 Ų92.246%0.45553%0.529SS..  trans-76.6113-177.180000104.9C82 I86C82-S84 PolarHBondContact O-N 3.17Å; C82-S84 PolarHBondContact O-OG 3.17Å; S84-I86 PolarHBondContact O-N 3.24Å
85K46.6Very low71.2Confident191 Ų19189 Ų8983%0.8351%0.509SS*.  trans-41126.9169.4-67.2179.6178179.40107.6N83 V87N83-K85 PolarHBondContact O-N 3.47Å; N83-K85 VanDerWaalsContact O-N 3.15Å; K85-V87 VanDerWaalsContact C-N 3.27Å; K85-V87 PolarHBondContact O-N 3.15Å
86I53.4Low71.2Confident165 Ų16590.5 Ų90.585%0.84652%0.518SS*.  trans-60.596.6174.9-60.5170.6000106.2S84S84-I86 PolarHBondContact O-N 3.24Å
87V53.7Low71.1Confident96 Ų9688.6 Ų88.658%0.58251%0.509SS*.PPolyproline II helixtrans-69.7125.2170-177.70000105.8K85 K89K85-V87 VanDerWaalsContact C-N 3.27Å; K85-V87 PolarHBondContact O-N 3.15Å; V87-K89 PolarHBondContact O-N 3.07Å; V87-K89 VanDerWaalsContact O-N 3.11Å
88P52.9Low71.1Confident110 Ų11089.2 Ų89.271%0.71451%0.513SS*.PPolyproline II helixtrans-53.5122.2175.9-22.732.1000109.1V90P88-V90 PolarHBondContact O-N 2.85Å
89K61.8Low71.1Confident176 Ų17690.4 Ų90.477%0.76552%0.519SS*.PPolyproline II helixtrans-70.7117.2175.1-67.2177.9-178.6176.70107.2V87 S91V87-K89 PolarHBondContact O-N 3.07Å; V87-K89 VanDerWaalsContact O-N 3.11Å; K89-S91 PolarHBondContact O-N 2.78Å
90V65.4Low71.4Confident86 Ų8688.7 Ų88.752%0.52150%0.502SS..PPolyproline II helixtrans-57.2129.6166-178.90000107.5P88 D94 V95P88-V90 PolarHBondContact O-N 2.85Å; V90-D94 HydrophobicContact CG1-CB 3.71Å; V90-V95 HydrophobicContact CG1-CG2 4.17Å
91S76.8Confident72.4Confident58 Ų5885.5 Ų85.541%0.40649%0.485SS..PPolyproline II helixtrans-64.6146.2175.4-176.80000108.8K89 A93 D94K89-S91 PolarHBondContact O-N 2.78Å; S91-A93 PolarHBondContact O-N 3.26Å; S91-A93 PolarHBondContact OG-N 3.03Å; S91-D94 WeakPolarHBondContact CB-OD2 3.28Å; S91-D94 PolarHBondContact N-OD2 3.32Å; S91-D94 PolarHBondContact O-N 2.75Å
92L76Confident74.1Confident83 Ų8386 Ų8644%0.43548%0.479SS..G310 helixtrans-55.7-25.3170.1-75.7165.2000112.1D94 L372 Y375L92-D94 VanDerWaalsContact C-N 3.31Å; L92-L372 HydrophobicContact CD2-CD2 3.6Å; L92-Y375 HydrophobicContact CD1-CD1 4.48Å; L92-Y375 HydrophobicContact CD1-CD2 3.39Å; L92-Y375 HydrophobicContact CD1-CE2 3.6Å; L92-Y375 HydrophobicContact CD1-CG 3.87Å; L92-Y375 HydrophobicContact CD2-CD1 3.93Å; L92-Y375 HydrophobicContact CD2-CD2 4.21Å; L92-Y375 HydrophobicContact CD2-CE1 4.43Å; L92-Y375 HydrophobicContact CD2-CG 3.8Å; L92-Y375 HydrophobicContact CG-CD2 4.47Å
93A78Confident76.2Confident87 Ų8781.4 Ų81.472%0.71945%0.447SS*.G310 helixtrans-72.8-20.6175.500000113.8S91S91-A93 PolarHBondContact O-N 3.26Å; S91-A93 PolarHBondContact OG-N 3.03Å
94D85.6Confident78.6Confident116 Ų11673.4 Ų73.462%0.6240%0.404SS*.G310 helixtrans-94.3-1.9-177.8-53.4-31.9000111.8V90 S91 L92V90-D94 HydrophobicContact CG1-CB 3.71Å; S91-D94 WeakPolarHBondContact CB-OD2 3.28Å; S91-D94 PolarHBondContact N-OD2 3.32Å; S91-D94 PolarHBondContact O-N 2.75Å; L92-D94 VanDerWaalsContact C-N 3.31Å
95V90.3Very high80.7Confident32 Ų3270.9 Ų70.919%0.19439%0.387CS..SBendtrans-82.8122-179.8178.80000109.3V90 T99 L372V90-V95 HydrophobicContact CG1-CG2 4.17Å; V95-T99 HydrophobicContact CG1-CG2 4.32Å; V95-L372 HydrophobicContact CB-CD2 4.44Å; V95-L372 HydrophobicContact CG1-CD1 3.83Å; V95-L372 HydrophobicContact CG1-CD2 4.1Å; V95-L372 HydrophobicContact CG2-CD2 3.98Å
96S94.2Very high83Confident42 Ų4264.7 Ų64.729%0.29436%0.359SS..  trans-64.2144.6178.182.60000112V98 T99 M100 E412S96-V98 PolarHBondContact O-N 2.66Å; S96-T99 WeakPolarHBondContact O-CB 3.38Å; S96-T99 PolarHBondContact O-N 3.02Å; S96-T99 WeakPolarHBondContact OG-CB 3.44Å; S96-T99 PolarHBondContact OG-N 3.08Å; S96-T99 PolarHBondContact OG-OG1 3.4Å; S96-M100 PolarHBondContact O-N 2.87Å; S96-E412 WeakPolarHBondContact CB-OE2 3.4Å
97S94.7Very high85.1Confident13 Ų1356.9 Ų56.99%0.09132%0.319CS..Hα-helixtrans-60.2-36.4176.1-48.30000110.8T99 M100 L101 E412 Q416S97-T99 VanDerWaalsContact C-N 3.32Å; S97-T99 PolarHBondContact O-N 3.12Å; S97-M100 PolarHBondContact O-N 3.21Å; S97-L101 WeakPolarHBondContact O-CB 3.27Å; S97-L101 WeakPolarHBondContact O-CG 3.28Å; S97-L101 PolarHBondContact O-N 3.23Å; S97-E412 WeakPolarHBondContact CA-OE1 3.4Å; S97-E412 WeakPolarHBondContact CB-OE1 3.45Å; S97-E412 PolarHBondContact N-OE1 2.83Å; S97-E412 PolarHBondContact N-OE2 3.26Å; S97-E412 PolarHBondContact OG-OE1 3.44Å; S97-Q416 WeakPolarHBondContact OG-CA 3.01Å; S97-Q416 WeakPolarHBondContact OG-CB 3.2Å
98V95.7Very high87.1Confident16 Ų1653.2 Ų53.210%0.09730%0.295CS..Hα-helixtrans-57.5-45.1171.6172.50000111.2S96 R102 L407 E412 C415S96-V98 PolarHBondContact O-N 2.66Å; V98-R102 WeakPolarHBondContact O-CB 3.5Å; V98-R102 PolarHBondContact O-N 3.33Å; V98-L407 HydrophobicContact CG1-CD1 4.41Å; V98-E412 VanDerWaalsContact CG2-OE2 3.28Å; V98-E412 WeakPolarHBondContact CG2-OE2 3.24Å; V98-E412 PolarHBondContact N-OE2 3.27Å; V98-E412 VanDerWaalsContact N-OE2 3.1Å; V98-C415 HydrophobicContact CG2-CB 3.97Å; V98-C415 VanDerWaalsContact CG2-SG 3.57Å
99T95Very high89.1Confident51 Ų5153 Ų5331%0.31329%0.285SS..Hα-helixtrans-66.9-42.2179.6-58.20000111.2V95 S96 S97 R102 L103V95-T99 HydrophobicContact CG1-CG2 4.32Å; S96-T99 WeakPolarHBondContact O-CB 3.38Å; S96-T99 PolarHBondContact O-N 3.02Å; S96-T99 WeakPolarHBondContact OG-CB 3.44Å; S96-T99 PolarHBondContact OG-N 3.08Å; S96-T99 PolarHBondContact OG-OG1 3.4Å; S97-T99 VanDerWaalsContact C-N 3.32Å; S97-T99 PolarHBondContact O-N 3.12Å; T99-R102 PolarHBondContact O-N 3.14Å; T99-L103 PolarHBondContact O-N 3.43Å
100M94.9Very high90.8Very high16 Ų1644.7 Ų44.78%0.07925%0.249CC..Hα-helixtrans-61.4-47.5176.5-168.575.880.400111.7S96 S97 R102 L103 I104 L372 L376 L419S96-M100 PolarHBondContact O-N 2.87Å; S97-M100 PolarHBondContact O-N 3.21Å; M100-R102 VanDerWaalsContact C-N 3.35Å; M100-R102 PolarHBondContact O-N 3.03Å; M100-L103 PolarHBondContact O-N 3.38Å; M100-I104 HydrophobicContact CG-CD1 4.26Å; M100-I104 WeakPolarHBondContact O-CG1 3.44Å; M100-I104 PolarHBondContact O-N 3.19Å; M100-L372 HydrophobicContact CE-CD2 4.25Å; M100-L372 HydrophobicContact SD-CD2 4.47Å; M100-L376 HydrophobicContact SD-CD1 4.02Å; M100-L376 HydrophobicContact SD-CD2 3.87Å; M100-L376 HydrophobicContact SD-CG 4.17Å; M100-L419 HydrophobicContact CB-CD2 3.97Å; M100-L419 HydrophobicContact CG-CD1 3.94Å; M100-L419 HydrophobicContact CG-CD2 3.83Å
101L95.6Very high92.4Very high0 Ų041.1 Ų41.10%023%0.227CC..Hα-helixtrans-65.7-36.5178.6-71.2-170.7000112.4S97 L103 I104 A105 Y403 A406 L407 C415 A418 L419S97-L101 WeakPolarHBondContact O-CB 3.27Å; S97-L101 WeakPolarHBondContact O-CG 3.28Å; S97-L101 PolarHBondContact O-N 3.23Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.4Å; L101-I104 HydrophobicContact CD2-CD1 4.18Å; L101-I104 PolarHBondContact O-N 3.28Å; L101-A105 WeakPolarHBondContact O-CB 3.49Å; L101-A105 PolarHBondContact O-N 3Å; L101-Y403 HydrophobicContact CD2-CD2 4Å; L101-Y403 HydrophobicContact CD2-CG 4.23Å; L101-A406 HydrophobicContact CD1-CB 4.41Å; L101-L407 HydrophobicContact CB-CB 4.4Å; L101-L407 HydrophobicContact CB-CD1 4.09Å; L101-C415 HydrophobicContact CD1-CB 3.76Å; L101-A418 HydrophobicContact CD1-CB 4.25Å; L101-L419 HydrophobicContact CD2-CB 4.08Å; L101-L419 HydrophobicContact CD2-CD1 3.99Å; L101-L419 HydrophobicContact CG-CB 4.47Å
102R96Very high93.3Very high134 Ų13443.5 Ų43.551%0.50624%0.239SC..Hα-helixtrans-60.8-43.3173.4-170.8-178.9-63.1120.61.9111.4V98 T99 M100 A105 R106 L407V98-R102 WeakPolarHBondContact O-CB 3.5Å; V98-R102 PolarHBondContact O-N 3.33Å; T99-R102 PolarHBondContact O-N 3.14Å; M100-R102 VanDerWaalsContact C-N 3.35Å; M100-R102 PolarHBondContact O-N 3.03Å; R102-A105 PolarHBondContact O-N 3.35Å; R102-R106 WeakPolarHBondContact O-CB 3.27Å; R102-R106 PolarHBondContact O-N 3.28Å; R102-L407 HydrophobicContact CB-CD1 4.11Å
103L96.2Very high94.2Very high4 Ų446 Ų462%0.02125%0.249CC..Hα-helixtrans-68.2-36.9178-175.662.1000112.7T99 M100 L101 R106 S107 E369 L372 I373 L376T99-L103 PolarHBondContact O-N 3.43Å; M100-L103 PolarHBondContact O-N 3.38Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.4Å; L103-R106 PolarHBondContact O-N 3.16Å; L103-S107 WeakPolarHBondContact O-CB 3.02Å; L103-S107 PolarHBondContact O-N 3.04Å; L103-S107 PolarHBondContact O-OG 2.77Å; L103-E369 HydrophobicContact CD1-CB 3.89Å; L103-E369 HydrophobicContact CD1-CG 4.02Å; L103-L372 HydrophobicContact CD2-CB 3.25Å; L103-L372 HydrophobicContact CD2-CD1 3.94Å; L103-L372 HydrophobicContact CD2-CG 4.23Å; L103-I373 HydrophobicContact CD1-CD1 4.06Å; L103-I373 HydrophobicContact CD1-CG1 3.98Å; L103-I373 HydrophobicContact CD2-CG1 4.12Å; L103-I373 HydrophobicContact CG-CG1 4.27Å; L103-L376 HydrophobicContact CD2-CD1 4.19Å
104I95.8Very high95.1Very high0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-60.6-49.9172.5-74.3171.8000110.2M100 L101 R106 S107 E108 L376 W379 Y403 L419 L422 I430M100-I104 HydrophobicContact CG-CD1 4.26Å; M100-I104 WeakPolarHBondContact O-CG1 3.44Å; M100-I104 PolarHBondContact O-N 3.19Å; L101-I104 HydrophobicContact CD2-CD1 4.18Å; L101-I104 PolarHBondContact O-N 3.28Å; I104-R106 PolarHBondContact O-N 3.36Å; I104-S107 WeakPolarHBondContact O-CB 3.3Å; I104-S107 PolarHBondContact O-N 3.27Å; I104-E108 PolarHBondContact O-N 2.94Å; I104-E108 VanDerWaalsContact O-N 3.12Å; I104-L376 HydrophobicContact CG1-CD1 4.31Å; I104-W379 HydrophobicContact CD1-CH2 4.15Å; I104-W379 HydrophobicContact CD1-CZ3 4.1Å; I104-Y403 HydrophobicContact CG2-CD2 4.46Å; I104-Y403 HydrophobicContact CG2-CE2 3.83Å; I104-L419 HydrophobicContact CD1-CD1 3.91Å; I104-L422 HydrophobicContact CD1-CD2 4.24Å; I104-I430 HydrophobicContact CG1-CG2 4.21Å; I104-I430 HydrophobicContact CG2-CD1 3.7Å; I104-I430 HydrophobicContact CG2-CG1 4Å
105A95.5Very high95.6Very high12 Ų1241.1 Ų41.110%0.09921%0.21CC..Hα-helixtrans-59-46.2176.500000111.6L101 R102 S107 E108 E109 Y403 L404 L407L101-A105 WeakPolarHBondContact O-CB 3.49Å; L101-A105 PolarHBondContact O-N 3Å; R102-A105 PolarHBondContact O-N 3.35Å; A105-S107 VanDerWaalsContact C-N 3.28Å; A105-S107 PolarHBondContact O-N 3.4Å; A105-E108 PolarHBondContact O-N 2.94Å; A105-E109 WeakPolarHBondContact O-CG 3.48Å; A105-E109 PolarHBondContact O-N 2.82Å; A105-Y403 HydrophobicContact CB-CE2 4.41Å; A105-L404 HydrophobicContact CB-CD2 4.04Å; A105-L407 HydrophobicContact CB-CD2 3.9Å
106R96.3Very high95.9Very high62 Ų6239.7 Ų39.723%0.23420%0.201CC..Hα-helixtrans-60.9-35.9176.6-178.457.3-177.9152.76.1112.9R102 L103 I104 E109 L110 A363R102-R106 WeakPolarHBondContact O-CB 3.27Å; R102-R106 PolarHBondContact O-N 3.28Å; L103-R106 PolarHBondContact O-N 3.16Å; I104-R106 PolarHBondContact O-N 3.36Å; R106-E109 WeakPolarHBondContact CD-OE2 3.11Å; R106-E109 IonicContact NH1-OE2 3.16Å; R106-E109 PolarHBondContact NH1-OE2 3.13Å; R106-E109 VanDerWaalsContact NH1-OE2 3.16Å; R106-E109 PolarHBondContact O-N 2.74Å; R106-L110 HydrophobicContact CG-CD1 4.32Å; R106-L110 WeakPolarHBondContact O-CG 3.31Å; R106-L110 PolarHBondContact O-N 3.47Å; R106-A363 PolarHBondContact NH2-O 3.5Å
107S96.8Very high96Very high1 Ų139.5 Ų39.51%0.00720%0.196CC..Hα-helixtrans-66.5-41.6176.9-60.70000111.6L103 I104 A105 L110 N111 I433L103-S107 WeakPolarHBondContact O-CB 3.02Å; L103-S107 PolarHBondContact O-N 3.04Å; L103-S107 PolarHBondContact O-OG 2.77Å; I104-S107 WeakPolarHBondContact O-CB 3.3Å; I104-S107 PolarHBondContact O-N 3.27Å; A105-S107 VanDerWaalsContact C-N 3.28Å; A105-S107 PolarHBondContact O-N 3.4Å; S107-L110 PolarHBondContact O-N 2.95Å; S107-N111 WeakPolarHBondContact O-CB 3.4Å; S107-N111 PolarHBondContact O-N 3.26Å; S107-I433 VanDerWaalsContact O-CG2 3.29Å; S107-I433 WeakPolarHBondContact O-CG2 3.31Å
108E95.6Very high96Very high18 Ų1846 Ų468%0.08423%0.226CC..Hα-helixtrans-66.5-38.1174.9-74-75.9166.900112.4I104 A105 N111 T112 R429 I430 I433I104-E108 PolarHBondContact O-N 2.94Å; I104-E108 VanDerWaalsContact O-N 3.12Å; A105-E108 PolarHBondContact O-N 2.94Å; E108-N111 WeakPolarHBondContact O-CB 3.32Å; E108-N111 PolarHBondContact O-N 2.68Å; E108-T112 PolarHBondContact O-N 3.39Å; E108-T112 PolarHBondContact O-OG1 3.44Å; E108-R429 IonicContact OE1-CZ 3.72Å; E108-R429 IonicContact OE1-NE 3.96Å; E108-R429 PolarHBondContact OE1-NE 3.4Å; E108-R429 IonicContact OE2-CZ 3.92Å; E108-R429 IonicContact OE2-NE 2.9Å; E108-R429 PolarHBondContact OE2-NE 2.95Å; E108-R429 IonicContact OE2-NH2 3.58Å; E108-R429 PolarHBondContact OE2-NH2 2.9Å; E108-I430 HydrophobicContact CG-CD1 3.62Å; E108-I430 VanDerWaalsContact OE1-CD1 3.27Å; E108-I430 WeakPolarHBondContact OE1-CD1 3.45Å; E108-I433 VanDerWaalsContact CD-CD1 3.42Å; E108-I433 HydrophobicContact CG-CD1 4.25Å; E108-I433 WeakPolarHBondContact OE1-CD1 3.35Å
109E96Very high95.9Very high105 Ų10548.3 Ų48.349%0.49124%0.235SC..Hα-helixtrans-58.4-52.3172.4-72171-171.500111.2A105 R106 N111 T112 E113A105-E109 WeakPolarHBondContact O-CG 3.48Å; A105-E109 PolarHBondContact O-N 2.82Å; R106-E109 WeakPolarHBondContact CD-OE2 3.11Å; R106-E109 IonicContact NH1-OE2 3.16Å; R106-E109 PolarHBondContact NH1-OE2 3.13Å; R106-E109 VanDerWaalsContact NH1-OE2 3.16Å; R106-E109 PolarHBondContact O-N 2.74Å; E109-N111 VanDerWaalsContact C-N 3.28Å; E109-N111 PolarHBondContact O-N 2.97Å; E109-T112 WeakPolarHBondContact O-CB 3.42Å; E109-T112 PolarHBondContact O-N 3.49Å; E109-T112 VanDerWaalsContact O-N 3.09Å; E109-E113 WeakPolarHBondContact O-CB 3.38Å; E109-E113 PolarHBondContact O-N 3.11Å
110L97.5Very high96.1Very high3 Ų347.5 Ų47.52%0.01623%0.228CC..Hα-helixtrans-61.7-36.9178-75.8170.3000112.2R106 S107 T112 L114 A363 I365 L437R106-L110 HydrophobicContact CG-CD1 4.32Å; R106-L110 WeakPolarHBondContact O-CG 3.31Å; R106-L110 PolarHBondContact O-N 3.47Å; S107-L110 PolarHBondContact O-N 2.95Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.4Å; L110-L114 HydrophobicContact CD2-CD1 4.17Å; L110-L114 VanDerWaalsContact O-CB 3.31Å; L110-L114 WeakPolarHBondContact O-CB 3.34Å; L110-L114 WeakPolarHBondContact O-CG 3.46Å; L110-L114 PolarHBondContact O-N 2.9Å; L110-A363 HydrophobicContact CD1-CB 4.24Å; L110-A363 HydrophobicContact CD2-CB 4.24Å; L110-I365 HydrophobicContact CD1-CD1 4.3Å; L110-L437 HydrophobicContact CD1-CD1 3.99Å; L110-L437 HydrophobicContact CD1-CD2 3.99Å
111N97.4Very high96.2Very high10 Ų1051 Ų515%0.05324%0.243CC..Hα-helixtrans-60.1-43.2173.8174.966.6000111.7S107 E108 E109 N115 L116 I117 I433S107-N111 WeakPolarHBondContact O-CB 3.4Å; S107-N111 PolarHBondContact O-N 3.26Å; E108-N111 WeakPolarHBondContact O-CB 3.32Å; E108-N111 PolarHBondContact O-N 2.68Å; E109-N111 VanDerWaalsContact C-N 3.28Å; E109-N111 PolarHBondContact O-N 2.97Å; N111-N115 CarbonylContact O-C 3.59Å; N111-N115 WeakPolarHBondContact O-CA 3.46Å; N111-N115 PolarHBondContact O-N 2.76Å; N111-L116 HydrophobicContact CB-CB 4.49Å; N111-L116 PolarHBondContact O-N 3.38Å; N111-L116 VanDerWaalsContact O-N 3.11Å; N111-L116 WeakPolarHBondContact OD1-CB 3.44Å; N111-I117 WeakPolarHBondContact OD1-CG1 3.44Å; N111-I117 PolarHBondContact OD1-N 3.23Å; N111-I117 VanDerWaalsContact OD1-N 3.16Å; N111-I433 HydrophobicContact CB-CD1 3.79Å; N111-I433 HydrophobicContact CB-CG1 3.91Å; N111-I433 HydrophobicContact CB-CG2 3.89Å
112T95.8Very high96.2Very high109 Ų10956.2 Ų56.267%0.66927%0.271SS*.Hα-helixtrans-69.7-45.3179.5-530000111.2E108 E109 L110E108-T112 PolarHBondContact O-N 3.39Å; E108-T112 PolarHBondContact O-OG1 3.44Å; E109-T112 WeakPolarHBondContact O-CB 3.42Å; E109-T112 PolarHBondContact O-N 3.49Å; E109-T112 VanDerWaalsContact O-N 3.09Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.4Å
113E96.5Very high96.3Very high136 Ų13651 Ų5164%0.63625%0.254SS*.Hα-helixtrans-64.1-43.7-178.7-177.3-177.7168.600112.6E109E109-E113 WeakPolarHBondContact O-CB 3.38Å; E109-E113 PolarHBondContact O-N 3.11Å
114L96.3Very high96.2Very high39 Ų3951.6 Ų51.620%0.20426%0.258CS..Hα-helixtrans-1010.2-173.4-58.3170.1000113.1L110 L116 Q119 W358L110-L114 HydrophobicContact CD2-CD1 4.17Å; L110-L114 VanDerWaalsContact O-CB 3.31Å; L110-L114 WeakPolarHBondContact O-CB 3.34Å; L110-L114 WeakPolarHBondContact O-CG 3.46Å; L110-L114 PolarHBondContact O-N 2.9Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 HydrophobicContact CB-CD2 3.84Å; L114-L116 HydrophobicContact CB-CG 3.96Å; L114-L116 HydrophobicContact CD1-CD2 4.22Å; L114-L116 PolarHBondContact O-N 2.82Å; L114-Q119 PolarHBondContact O-NE2 3.43Å; L114-W358 HydrophobicContact CD1-CH2 3.43Å; L114-W358 VanDerWaalsContact CD1-CH2 3.43Å; L114-W358 HydrophobicContact CD1-CZ2 3.63Å; L114-W358 HydrophobicContact CD2-CZ2 4.32Å
115N96.2Very high95.9Very high60 Ų6056.8 Ų56.832%0.32129%0.289SS..THydrogen-bonded Turntrans50.148.6-173.9-166.19.2000113.3N111 I117 E118 Q119N111-N115 CarbonylContact O-C 3.59Å; N111-N115 WeakPolarHBondContact O-CA 3.46Å; N111-N115 PolarHBondContact O-N 2.76Å; N115-I117 VanDerWaalsContact C-N 3.33Å; N115-I117 PolarHBondContact O-N 3.42Å; N115-E118 WeakPolarHBondContact OD1-CA 3.21Å; N115-E118 WeakPolarHBondContact OD1-CB 3.26Å; N115-E118 WeakPolarHBondContact OD1-CG 3.49Å; N115-E118 PolarHBondContact OD1-N 3.02Å; N115-E118 PolarHBondContact OD1-OE2 3.2Å; N115-Q119 VanDerWaalsContact O-CB 3.23Å; N115-Q119 WeakPolarHBondContact O-CB 3.49Å; N115-Q119 WeakPolarHBondContact O-CG 3.17Å; N115-Q119 PolarHBondContact O-N 3.24Å; N115-Q119 PolarHBondContact O-NE2 3.17Å
116L96.8Very high95.6Very high2 Ų258 Ų581%0.0130%0.303CS..THydrogen-bonded Turntrans-63.6-34.5-168.1-68.2177.5000114N111 L114 I433 R436 L437 W440N111-L116 HydrophobicContact CB-CB 4.49Å; N111-L116 PolarHBondContact O-N 3.38Å; N111-L116 VanDerWaalsContact O-N 3.11Å; N111-L116 WeakPolarHBondContact OD1-CB 3.44Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 HydrophobicContact CB-CD2 3.84Å; L114-L116 HydrophobicContact CB-CG 3.96Å; L114-L116 HydrophobicContact CD1-CD2 4.22Å; L114-L116 PolarHBondContact O-N 2.82Å; L116-I433 HydrophobicContact CD1-CG2 4.46Å; L116-R436 HydrophobicContact CB-CB 3.8Å; L116-R436 HydrophobicContact CB-CG 4.48Å; L116-R436 WeakPolarHBondContact O-CG 3.33Å; L116-L437 HydrophobicContact CD1-CB 3.97Å; L116-L437 HydrophobicContact CD1-CD1 4.15Å; L116-W440 HydrophobicContact CD2-CB 3.75Å; L116-W440 HydrophobicContact CD2-CD2 4.14Å; L116-W440 HydrophobicContact CD2-CG 3.81Å
117I95.5Very high95.2Very high38 Ų3862.2 Ų62.220%0.19533%0.33CS..THydrogen-bonded Turntrans-89.8-42.1-178.3-67.3-73.8000112.1N111 N115 I120 K432 I433 R436N111-I117 WeakPolarHBondContact OD1-CG1 3.44Å; N111-I117 PolarHBondContact OD1-N 3.23Å; N111-I117 VanDerWaalsContact OD1-N 3.16Å; N115-I117 VanDerWaalsContact C-N 3.33Å; N115-I117 PolarHBondContact O-N 3.42Å; I117-I120 VanDerWaalsContact O-CG1 3.3Å; I117-I120 WeakPolarHBondContact O-CG1 3.2Å; I117-K432 HydrophobicContact CD1-CB 3.67Å; I117-I433 HydrophobicContact CD1-CG1 4.25Å; I117-I433 HydrophobicContact CG1-CG1 3.89Å; I117-R436 HydrophobicContact CD1-CG 3.75Å
118E94.2Very high94.8Very high151 Ų15163.1 Ų63.171%0.70634%0.335SS*.THydrogen-bonded Turntrans-83.9-16.9-171.7-32.4171.1157.400112.5N115 I120N115-E118 WeakPolarHBondContact OD1-CA 3.21Å; N115-E118 WeakPolarHBondContact OD1-CB 3.26Å; N115-E118 WeakPolarHBondContact OD1-CG 3.49Å; N115-E118 PolarHBondContact OD1-N 3.02Å; N115-E118 PolarHBondContact OD1-OE2 3.2Å; E118-I120 PolarHBondContact O-N 3.42Å
119Q94.9Very high94.4Very high63 Ų6363.9 Ų63.929%0.29434%0.338SS..THydrogen-bonded Turntrans-74-4.5174.376.5179.8-70.500114.5L114 N115 K121L114-Q119 PolarHBondContact O-NE2 3.43Å; N115-Q119 VanDerWaalsContact O-CB 3.23Å; N115-Q119 WeakPolarHBondContact O-CB 3.49Å; N115-Q119 WeakPolarHBondContact O-CG 3.17Å; N115-Q119 PolarHBondContact O-N 3.24Å; N115-Q119 PolarHBondContact O-NE2 3.17Å; Q119-K121 PolarHBondContact O-N 3.47Å
120I97.4Very high93.8Very high34 Ų3463 Ų6317%0.17434%0.342CS..  trans-69.7115.2179.9-57.4-60.1000109.3I117 E118 D122 A459 I470I117-I120 VanDerWaalsContact O-CG1 3.3Å; I117-I120 WeakPolarHBondContact O-CG1 3.2Å; E118-I120 PolarHBondContact O-N 3.42Å; I120-D122 PolarHBondContact O-N 3.04Å; I120-A459 HydrophobicContact CG2-CB 3.93Å; I120-I470 HydrophobicContact CD1-CG2 4.41Å; I120-I470 HydrophobicContact CG2-CD1 3.93Å
121K97.3Very high93.1Very high89 Ų8963 Ų6339%0.38734%0.342SS..EExtended strand (participates in β ladder)trans-65.4123.6172.4-178.2179.9177.2-1790109.3Q119 L123 E207 S457 V458 A459Q119-K121 PolarHBondContact O-N 3.47Å; K121-L123 HydrophobicContact CG-CG 4.42Å; K121-L123 PolarHBondContact O-N 2.62Å; K121-E207 IonicContact NZ-OE1 3.94Å; K121-E207 PolarHBondContact NZ-OE1 2.9Å; K121-S457 PolarHBondContact N-O 3.19Å; K121-V458 HydrophobicContact CB-CG2 4.26Å; K121-V458 HydrophobicContact CD-CG2 4.37Å; K121-V458 CarbonylContact O-C 3.47Å; K121-V458 VanDerWaalsContact O-CA 3.32Å; K121-V458 WeakPolarHBondContact O-CA 3.48Å; K121-A459 PolarHBondContact O-N 2.92Å
122D96.9Very high92.4Very high111 Ų11162.5 Ų62.559%0.59434%0.339SS*.EExtended strand (participates in β ladder)trans-86.3105.4179-170.110.4000111I120 S124I120-D122 PolarHBondContact O-N 3.04Å; D122-S124 WeakPolarHBondContact OD1-CA 3.39Å; D122-S124 WeakPolarHBondContact OD1-CB 3.48Å; D122-S124 PolarHBondContact OD1-N 3.25Å; D122-S124 PolarHBondContact OD1-OG 3.33Å
123L96.9Very high91.8Very high25 Ų2557.4 Ų57.413%0.13131%0.308CS..  trans-117.532.3163.9-64.8-176.4000109.3K121 V125 R202 V203 K206 V458 A459 Y460K121-L123 HydrophobicContact CG-CG 4.42Å; K121-L123 PolarHBondContact O-N 2.62Å; L123-V125 VanDerWaalsContact C-N 3.31Å; L123-V125 PolarHBondContact O-N 3.25Å; L123-R202 PolarHBondContact O-NH1 2.99Å; L123-R202 PolarHBondContact O-NH2 3.27Å; L123-V203 HydrophobicContact CD1-CG2 4.27Å; L123-K206 HydrophobicContact CD1-CB 3.75Å; L123-K206 HydrophobicContact CD1-CG 4.01Å; L123-V458 HydrophobicContact CB-CG1 3.8Å; L123-V458 HydrophobicContact CD1-CG1 3.83Å; L123-V458 HydrophobicContact CG-CG1 3.86Å; L123-A459 CarbonylContact C-O 3.54Å; L123-A459 VanDerWaalsContact CA-O 3.29Å; L123-A459 WeakPolarHBondContact CA-O 3.35Å; L123-A459 PolarHBondContact N-O 2.87Å; L123-Y460 CarbonylContact O-C 3.52Å
124S93.6Very high90.9Very high15 Ų1554 Ų5411%0.10529%0.291CS..SBendtrans-71.3-29.5-175.865.40000112.5D122 R202 A459 T461D122-S124 WeakPolarHBondContact OD1-CA 3.39Å; D122-S124 WeakPolarHBondContact OD1-CB 3.48Å; D122-S124 PolarHBondContact OD1-N 3.25Å; D122-S124 PolarHBondContact OD1-OG 3.33Å; S124-R202 PolarHBondContact O-NH2 2.99Å; S124-A459 PolarHBondContact N-O 3.12Å; S124-T461 VanDerWaalsContact CB-C 3.47Å; S124-T461 WeakPolarHBondContact CB-O 3.36Å
125V90.8Very high90Very high109 Ų10952.1 Ų52.166%0.66128%0.281SS*.SBendtrans-121.1140.4179.7-176.50000110.3L123 R202 T462L123-V125 VanDerWaalsContact C-N 3.31Å; L123-V125 PolarHBondContact O-N 3.25Å; V125-R202 PolarHBondContact O-NH1 2.6Å; V125-T462 HydrophobicContact CG2-CG2 4.15Å
126G89.1Confident89.2Confident38 Ų3849.5 Ų49.539%0.39227%0.267SS..SBendtrans145.7172.3-179.800000112.3R202G126-R202 VanDerWaalsContact CA-NH1 3.33Å; G126-R202 VanDerWaalsContact N-NH1 3.17Å
127D88.4Confident88.1Confident151 Ų15154.1 Ų54.181%0.80729%0.292SS*.PPolyproline II helixtrans-67.5134.7-171-59.5-38.8000112.6R202D127-R202 VanDerWaalsContact O-CD 3.3Å; D127-R202 WeakPolarHBondContact O-CD 3.43Å
128I88.1Confident86.8Confident19 Ų1954.7 Ų54.710%0.09730%0.295CS..PPolyproline II helixtrans-88.9152.6168.362.7176.5000109.6I132 M136 V181 Y195I128-I132 HydrophobicContact CD1-CG2 4.15Å; I128-M136 HydrophobicContact CD1-CG 4.42Å; I128-V181 HydrophobicContact CD1-CB 4.09Å; I128-V181 HydrophobicContact CD1-CG2 3.72Å; I128-V181 HydrophobicContact CG1-CG2 4.49Å; I128-Y195 HydrophobicContact CD1-CD2 4.22Å; I128-Y195 HydrophobicContact CG2-CD2 4.45Å; I128-Y195 HydrophobicContact CG2-CE2 4.22Å
129H87.2Confident85.3Confident34 Ų3454.1 Ų54.116%0.15729%0.293CS..PPolyproline II helixtrans-48.1133.6-179.9-172.2-78.7000112L131 I132 S133 I201 C233 S236H129-L131 VanDerWaalsContact C-N 3.27Å; H129-L131 WeakPolarHBondContact ND1-CB 3.38Å; H129-L131 PolarHBondContact ND1-N 3.45Å; H129-L131 PolarHBondContact O-N 2.91Å; H129-L131 VanDerWaalsContact O-N 3.12Å; H129-I132 HydrophobicContact CB-CD1 4.17Å; H129-I132 HydrophobicContact CB-CG1 4.31Å; H129-I132 WeakPolarHBondContact O-CA 3.41Å; H129-I132 WeakPolarHBondContact O-CB 3.49Å; H129-I132 PolarHBondContact O-N 2.63Å; H129-S133 PolarHBondContact O-N 3.29Å; H129-I201 HydrophobicContact CB-CG2 4.31Å; H129-C233 VanDerWaalsContact CG-SG 3.57Å; H129-S236 PolarHBondContact CE1-OG 3.14Å; H129-S236 VanDerWaalsContact CE1-OG 3.27Å
130P83.6Confident83.4Confident87 Ų8760.7 Ų60.757%0.56532%0.315SS*.Hα-helixtrans-52.4-41-172.1-30.735.4000114.3I132 S133 F134P130-I132 VanDerWaalsContact C-N 3.27Å; P130-I132 PolarHBondContact O-N 3.06Å; P130-S133 WeakPolarHBondContact O-CB 3.49Å; P130-S133 PolarHBondContact O-N 2.9Å; P130-F134 WeakPolarHBondContact O-CB 3.43Å; P130-F134 PolarHBondContact O-N 3.4Å
131L81.2Confident81.5Confident3 Ų360.8 Ų60.82%0.01631%0.314CS..Hα-helixtrans-57.2-39.2175.3-176.855.1000113.6H129 T135 W229 N232 Y244 W251H129-L131 VanDerWaalsContact C-N 3.27Å; H129-L131 WeakPolarHBondContact ND1-CB 3.38Å; H129-L131 PolarHBondContact ND1-N 3.45Å; H129-L131 PolarHBondContact O-N 2.91Å; H129-L131 VanDerWaalsContact O-N 3.12Å; L131-T135 WeakPolarHBondContact O-CB 3.43Å; L131-T135 PolarHBondContact O-N 3.04Å; L131-T135 PolarHBondContact O-OG1 3.4Å; L131-W229 HydrophobicContact CG-CZ3 4.34Å; L131-N232 HydrophobicContact CD2-CB 3.69Å; L131-N232 WeakPolarHBondContact CD2-O 3.26Å; L131-Y244 HydrophobicContact CD1-CD1 4.07Å; L131-Y244 HydrophobicContact CD1-CE1 3.37Å; L131-Y244 HydrophobicContact CD1-CE2 3.95Å; L131-Y244 VanDerWaalsContact CD1-OH 3.27Å; L131-Y244 WeakPolarHBondContact CD1-OH 3.47Å; L131-Y244 VanDerWaalsContact CD2-OH 3.24Å; L131-Y244 WeakPolarHBondContact CD2-OH 3.46Å; L131-W251 HydrophobicContact CD1-CE3 4.24Å; L131-W251 HydrophobicContact CD1-CH2 3.37Å; L131-W251 HydrophobicContact CD1-CZ2 4.11Å; L131-W251 HydrophobicContact CD1-CZ3 3.45Å; L131-W251 VanDerWaalsContact CD1-CZ3 3.45Å; L131-W251 HydrophobicContact CD2-CE3 4.31Å; L131-W251 HydrophobicContact CD2-CH2 4.41Å; L131-W251 HydrophobicContact CD2-CZ3 3.68Å; L131-W251 HydrophobicContact CG-CH2 3.9Å; L131-W251 HydrophobicContact CG-CZ3 3.66Å
132I84.5Confident79.4Confident0 Ų059.2 Ų59.20%031%0.306CS..Hα-helixtrans-75.8-40.4-179.9-58.9177.6000109.1I128 H129 P130 T135 M136 I194 G198 I201 W229I128-I132 HydrophobicContact CD1-CG2 4.15Å; H129-I132 HydrophobicContact CB-CD1 4.17Å; H129-I132 HydrophobicContact CB-CG1 4.31Å; H129-I132 WeakPolarHBondContact O-CA 3.41Å; H129-I132 WeakPolarHBondContact O-CB 3.49Å; H129-I132 PolarHBondContact O-N 2.63Å; P130-I132 VanDerWaalsContact C-N 3.27Å; P130-I132 PolarHBondContact O-N 3.06Å; I132-T135 WeakPolarHBondContact O-CB 3.45Å; I132-T135 PolarHBondContact O-N 3.11Å; I132-M136 HydrophobicContact CG2-CG 4.36Å; I132-M136 WeakPolarHBondContact O-CB 3.4Å; I132-M136 WeakPolarHBondContact O-CG 3.21Å; I132-M136 PolarHBondContact O-N 2.84Å; I132-I194 HydrophobicContact CG2-CG2 3.85Å; I132-G198 VanDerWaalsContact CD1-CA 3.42Å; I132-I201 HydrophobicContact CD1-CB 4.5Å; I132-I201 HydrophobicContact CD1-CD1 3.56Å; I132-W229 HydrophobicContact CD1-CB 4.36Å; I132-W229 HydrophobicContact CD1-CD2 4.39Å; I132-W229 HydrophobicContact CD1-CE3 4.16Å; I132-W229 HydrophobicContact CD1-CG 4.5Å; I132-W229 HydrophobicContact CG1-CD2 4.2Å; I132-W229 HydrophobicContact CG1-CE3 3.61Å; I132-W229 HydrophobicContact CG1-CZ3 4.01Å
133S83Confident77.1Confident2 Ų256 Ų561%0.01429%0.292CS..Hα-helixtrans-57.2-50.3172-178.50000111.9H129 P130 T135 M136 N137 F179H129-S133 PolarHBondContact O-N 3.29Å; P130-S133 WeakPolarHBondContact O-CB 3.49Å; P130-S133 PolarHBondContact O-N 2.9Å; S133-T135 VanDerWaalsContact C-N 3.31Å; S133-T135 PolarHBondContact O-N 3.18Å; S133-M136 WeakPolarHBondContact O-CB 3.4Å; S133-M136 PolarHBondContact O-N 3.44Å; S133-M136 VanDerWaalsContact O-N 3.07Å; S133-N137 PolarHBondContact O-N 3Å; S133-N137 VanDerWaalsContact O-N 3.15Å; S133-F179 PolarHBondContact OG-O 3.26Å
134F77.9Confident74.6Confident63 Ų6356.6 Ų56.628%0.27630%0.298SS..Hα-helixtrans-54-47.2174.5176.8-96.8000111.8P130 M136 N137 N138 H141 F179P130-F134 WeakPolarHBondContact O-CB 3.43Å; P130-F134 PolarHBondContact O-N 3.4Å; F134-M136 PolarHBondContact O-N 3.35Å; F134-N137 PolarHBondContact O-N 3.19Å; F134-N138 PolarHBondContact O-N 3.18Å; F134-H141 AromaticContact CE1-CD2 3.92Å; F134-H141 AromaticContact CE1-NE2 3.93Å; F134-F179 HydrophobicContact CB-CE1 4.42Å
135T77.1Confident72Confident0 Ų058.1 Ų58.10%031%0.308CS..Hα-helixtrans-60.6-44.7176.7-56.90000111.8L131 I132 S133 N137 N138 H141 W142 I194 W229 W251L131-T135 WeakPolarHBondContact O-CB 3.43Å; L131-T135 PolarHBondContact O-N 3.04Å; L131-T135 PolarHBondContact O-OG1 3.4Å; I132-T135 WeakPolarHBondContact O-CB 3.45Å; I132-T135 PolarHBondContact O-N 3.11Å; S133-T135 VanDerWaalsContact C-N 3.31Å; S133-T135 PolarHBondContact O-N 3.18Å; T135-N137 PolarHBondContact O-N 2.97Å; T135-N138 CarbonylContact O-C 3.47Å; T135-N138 PolarHBondContact O-N 3.29Å; T135-H141 HydrophobicContact CG2-CB 3.93Å; T135-W142 VanDerWaalsContact O-CD1 3.27Å; T135-W142 PolarHBondContact O-NE1 2.98Å; T135-I194 HydrophobicContact CG2-CD1 4.48Å; T135-W229 HydrophobicContact CG2-CH2 3.49Å; T135-W229 VanDerWaalsContact CG2-CH2 3.49Å; T135-W229 HydrophobicContact CG2-CZ2 3.91Å; T135-W229 VanDerWaalsContact OG1-CH2 3.28Å; T135-W229 WeakPolarHBondContact OG1-CH2 3.37Å; T135-W251 VanDerWaalsContact OG1-CH2 3.32Å; T135-W251 WeakPolarHBondContact OG1-CH2 3.5Å
136M78.4Confident69.6Low5 Ų553.5 Ų53.53%0.02528%0.283CS..Hα-helixtrans-59.7-32.6-178.5-77.2-67.2-62.300112I128 I132 S133 F134 W142 V181 V186 K191 I194I128-M136 HydrophobicContact CD1-CG 4.42Å; I132-M136 HydrophobicContact CG2-CG 4.36Å; I132-M136 WeakPolarHBondContact O-CB 3.4Å; I132-M136 WeakPolarHBondContact O-CG 3.21Å; I132-M136 PolarHBondContact O-N 2.84Å; S133-M136 WeakPolarHBondContact O-CB 3.4Å; S133-M136 PolarHBondContact O-N 3.44Å; S133-M136 VanDerWaalsContact O-N 3.07Å; F134-M136 PolarHBondContact O-N 3.35Å; M136-W142 WeakPolarHBondContact O-CZ2 3.14Å; M136-V181 HydrophobicContact CB-CG2 3.98Å; M136-V181 HydrophobicContact CE-CG1 4.14Å; M136-V186 HydrophobicContact CE-CB 4.27Å; M136-V186 HydrophobicContact CE-CG1 3.65Å; M136-V186 HydrophobicContact CE-CG2 3.56Å; M136-K191 HydrophobicContact CE-CB 3.97Å; M136-K191 HydrophobicContact CE-CD 4.4Å; M136-K191 HydrophobicContact CE-CG 4.29Å; M136-I194 HydrophobicContact CG-CG2 3.97Å; M136-I194 HydrophobicContact SD-CB 3.65Å; M136-I194 HydrophobicContact SD-CG2 3.52Å; M136-I194 VanDerWaalsContact SD-CG2 3.52Å
137N73.6Confident67.5Low99 Ų9953.5 Ų53.553%0.52927%0.272SS..Hα-helixtrans-84.1-11.2176.3-69-30.3000113.8S133 F134 T135S133-N137 PolarHBondContact O-N 3Å; S133-N137 VanDerWaalsContact O-N 3.15Å; F134-N137 PolarHBondContact O-N 3.19Å; T135-N137 PolarHBondContact O-N 2.97Å
138N69.6Low64.9Low51 Ų5149.7 Ų49.727%0.27326%0.256SS..  trans-124.6101.3-178.8-171.2-23.3000113.1F134 T135 R140 H141 W142F134-N138 PolarHBondContact O-N 3.18Å; T135-N138 CarbonylContact O-C 3.47Å; T135-N138 PolarHBondContact O-N 3.29Å; N138-R140 PolarHBondContact O-N 2.96Å; N138-R140 VanDerWaalsContact O-N 3.11Å; N138-R140 WeakPolarHBondContact OD1-CB 3.28Å; N138-R140 PolarHBondContact OD1-N 3.46Å; N138-R140 VanDerWaalsContact OD1-N 3.13Å; N138-H141 PolarHBondContact ND2-CD2 2.98Å; N138-H141 PolarHBondContact ND2-NE2 3.04Å; N138-H141 PolarHBondContact O-N 3.3Å; N138-H141 VanDerWaalsContact O-N 3.08Å; N138-W142 PolarHBondContact O-NE1 2.68Å
139Q61.1Low62.1Low139 Ų13952 Ų5265%0.6529%0.285SS*.G310 helixtrans-53.6-32.2-179.1-86.8-176.812.400114.7H141 W142Q139-H141 PolarHBondContact O-N 2.95Å; Q139-W142 HydrophobicContact CB-CH2 4.37Å; Q139-W142 HydrophobicContact CB-CZ2 4.32Å; Q139-W142 HydrophobicContact CG-CD2 4.16Å; Q139-W142 HydrophobicContact CG-CE3 4.01Å; Q139-W142 HydrophobicContact CG-CH2 3.13Å; Q139-W142 HydrophobicContact CG-CZ2 3.38Å; Q139-W142 HydrophobicContact CG-CZ3 3.54Å; Q139-W142 PolarHBondContact O-N 3.32Å; Q139-W142 VanDerWaalsContact O-N 3.17Å
140R56.1Low59.4Low200 Ų20054.1 Ų54.176%0.75530%0.296SS*.G310 helixtrans-63.7-24.6-177.9-64.6-174.4179-161.92.1111.9N138 P148N138-R140 PolarHBondContact O-N 2.96Å; N138-R140 VanDerWaalsContact O-N 3.11Å; N138-R140 WeakPolarHBondContact OD1-CB 3.28Å; N138-R140 PolarHBondContact OD1-N 3.46Å; N138-R140 VanDerWaalsContact OD1-N 3.13Å; R140-P148 WeakPolarHBondContact O-CD 3.21Å; R140-P148 WeakPolarHBondContact O-CG 3.3Å
141H57.1Low56.8Low36 Ų3658.8 Ų58.817%0.16731%0.308CS..G310 helixtrans-90.8-2.9-179.4-61.6-67.4000114.3F134 T135 N138 Q139 C143 F147 W251F134-H141 AromaticContact CE1-CD2 3.92Å; F134-H141 AromaticContact CE1-NE2 3.93Å; T135-H141 HydrophobicContact CG2-CB 3.93Å; N138-H141 PolarHBondContact ND2-CD2 2.98Å; N138-H141 PolarHBondContact ND2-NE2 3.04Å; N138-H141 PolarHBondContact O-N 3.3Å; N138-H141 VanDerWaalsContact O-N 3.08Å; Q139-H141 PolarHBondContact O-N 2.95Å; H141-C143 PolarHBondContact O-N 3.5Å; H141-F147 AromaticContact CE1-CE1 3.95Å; H141-F147 AromaticContact ND1-CE1 3.87Å; H141-F147 AromaticContact ND1-CZ 3.84Å; H141-W251 HydrophobicContact CB-CZ2 4.18Å; H141-W251 AromaticContact CE1-NE1 3.85Å; H141-W251 AromaticContact CG-CZ2 4Å; H141-W251 AromaticContact ND1-CE2 3.98Å; H141-W251 AromaticContact ND1-CZ2 3.87Å; H141-W251 AromaticContact ND1-NE1 3.6Å
142W54Low54.2Low57 Ų5766.8 Ų66.822%0.21635%0.345CS..G310 helixtrans-76-6.6180-60.80.5000113.9T135 M136 N138 Q139 S144 K191 I194T135-W142 VanDerWaalsContact O-CD1 3.27Å; T135-W142 PolarHBondContact O-NE1 2.98Å; M136-W142 WeakPolarHBondContact O-CZ2 3.14Å; N138-W142 PolarHBondContact O-NE1 2.68Å; Q139-W142 HydrophobicContact CB-CH2 4.37Å; Q139-W142 HydrophobicContact CB-CZ2 4.32Å; Q139-W142 HydrophobicContact CG-CD2 4.16Å; Q139-W142 HydrophobicContact CG-CE3 4.01Å; Q139-W142 HydrophobicContact CG-CH2 3.13Å; Q139-W142 HydrophobicContact CG-CZ2 3.38Å; Q139-W142 HydrophobicContact CG-CZ3 3.54Å; Q139-W142 PolarHBondContact O-N 3.32Å; Q139-W142 VanDerWaalsContact O-N 3.17Å; W142-S144 PolarHBondContact O-N 2.92Å; W142-K191 HydrophobicContact CE3-CG 4.3Å; W142-K191 HydrophobicContact CH2-CD 3.78Å; W142-K191 HydrophobicContact CH2-CG 3.52Å; W142-K191 HydrophobicContact CZ2-CD 4.02Å; W142-K191 HydrophobicContact CZ2-CG 3.71Å; W142-K191 HydrophobicContact CZ3-CD 4.44Å; W142-K191 HydrophobicContact CZ3-CG 3.79Å; W142-I194 HydrophobicContact CB-CD1 4.1Å; W142-I194 HydrophobicContact CG-CD1 3.88Å
143C48.6Very low51.6Low43 Ų4371.4 Ų71.429%0.29137%0.369SS..  trans-59117.9-168.6-169.20000111.1H141 S145 G146 P148H141-C143 PolarHBondContact O-N 3.5Å; C143-S145 PolarHBondContact O-N 3.35Å; C143-G146 PolarHBondContact O-N 2.82Å; C143-P148 HydrophobicContact CB-CG 4.06Å
144S43.3Very low48.9Very low38 Ų3876.4 Ų76.427%0.26640%0.401SS..THydrogen-bonded Turntrans-54.5-9.5176.742.50000115.7W142 F270W142-S144 PolarHBondContact O-N 2.92Å; S144-F270 CarbonylContact O-C 3.56Å
145S39.4Very low46.5Very low46 Ų4677.4 Ų77.432%0.32242%0.416SS..THydrogen-bonded Turntrans-102.52.1178-56.30000113.8C143 F270C143-S145 PolarHBondContact O-N 3.35Å; S145-F270 WeakPolarHBondContact OG-CD1 3.4Å
146G41.3Very low44.3Very low13 Ų1387.1 Ų87.113%0.13446%0.459CS..SBendtrans65.296.7-160.800000108.7C143 R275C143-G146 PolarHBondContact O-N 2.82Å; G146-R275 PolarHBondContact O-NE 3.01Å; G146-R275 PolarHBondContact O-NH2 3.36Å
147F43.5Very low41.8Very low37 Ų3794.4 Ų94.416%0.16250%0.497CS..  trans67.8131.2176.3-83.5-92.6000118.7H141 I150 G249 W251H141-F147 AromaticContact CE1-CE1 3.95Å; H141-F147 AromaticContact ND1-CE1 3.87Å; H141-F147 AromaticContact ND1-CZ 3.84Å; F147-I150 HydrophobicContact CD1-CD1 4.31Å; F147-I150 HydrophobicContact CD1-CG1 4.14Å; F147-I150 HydrophobicContact CE1-CD1 4.09Å; F147-I150 HydrophobicContact CE1-CG1 4.23Å; F147-I150 HydrophobicContact CZ-CD1 4.41Å; F147-G249 WeakPolarHBondContact CZ-O 3.48Å; F147-W251 HydrophobicContact CE2-CB 4.22Å; F147-W251 AromaticContact CE2-CD1 3.18Å; F147-W251 HydrophobicContact CE2-CD2 4.27Å; F147-W251 AromaticContact CE2-CG 3.6Å; F147-W251 HydrophobicContact CE2-CG 3.6Å; F147-W251 AromaticContact CE2-NE1 3.51Å; F147-W251 AromaticContact CZ-CD1 3.09Å; F147-W251 AromaticContact CZ-CG 3.99Å; F147-W251 HydrophobicContact CZ-CG 3.99Å; F147-W251 AromaticContact CZ-NE1 3.2Å
148P33.7Very low39.6Very low72 Ų7296.8 Ų96.847%0.46851%0.505SS..SBendtrans-63.9134.6142-1.721000107.8R140 C143 I150R140-P148 WeakPolarHBondContact O-CD 3.21Å; R140-P148 WeakPolarHBondContact O-CG 3.3Å; C143-P148 HydrophobicContact CB-CG 4.06Å; P148-I150 PolarHBondContact O-N 3.39Å
149G30.3Very low37.6Very low68 Ų6899.6 Ų99.670%0.70153%0.528SS*.  trans-42.9126.9-166.600000116K151G149-K151 PolarHBondContact O-N 3.24Å
150I30.5Very low36.1Very low77 Ų7799.4 Ų99.440%0.39553%0.532SS..  trans-71.681.9147.4-58.3168.8000105.2F147 P148 I153 G249F147-I150 HydrophobicContact CD1-CD1 4.31Å; F147-I150 HydrophobicContact CD1-CG1 4.14Å; F147-I150 HydrophobicContact CE1-CD1 4.09Å; F147-I150 HydrophobicContact CE1-CG1 4.23Å; F147-I150 HydrophobicContact CZ-CD1 4.41Å; P148-I150 PolarHBondContact O-N 3.39Å; I150-I153 HydrophobicContact CG2-CD1 4.31Å; I150-I153 HydrophobicContact CG2-CG1 3.69Å; I150-G249 WeakPolarHBondContact CD1-O 3.3Å
151K29.6Very low34.8Very low185 Ų18598 Ų9880%0.80454%0.539SS*.  trans-90.6121.2139.6-76-172173.7-171.80103.3G149G149-K151 PolarHBondContact O-N 3.24Å
152E25.4Very low33.4Very low171 Ų171102.7 Ų102.780%0.79957%0.571SS**  trans70.392.7173.4-61.3153.7-146.700114.5P154E152-P154 WeakPolarHBondContact O-CD 3.41Å
153I30.3Very low32.1Very low98 Ų98106.2 Ų106.250%0.50360%0.599SS.*  trans-70.7113.1140-58174.5000103.6I150 S155 I250I150-I153 HydrophobicContact CG2-CD1 4.31Å; I150-I153 HydrophobicContact CG2-CG1 3.69Å; I153-S155 PolarHBondContact O-N 2.98Å; I153-S155 VanDerWaalsContact O-N 3.12Å; I153-I250 HydrophobicContact CD1-CG1 4.4Å
154P26Very low31Very low107 Ų107112.6 Ų112.670%0.69563%0.629SS**  trans-58.1122.5167.5-16.930.6000106.2E152 F156E152-P154 WeakPolarHBondContact O-CD 3.41Å; P154-F156 VanDerWaalsContact C-N 3.32Å; P154-F156 PolarHBondContact O-N 3.28Å
155S27.8Very low30.1Very low83 Ų83118.2 Ų118.258%0.5866%0.656SS**  trans-57.793.2178.949.20000109.7I153 L157I153-S155 PolarHBondContact O-N 2.98Å; I153-S155 VanDerWaalsContact O-N 3.12Å; S155-L157 PolarHBondContact O-N 3.45Å; S155-L157 VanDerWaalsContact O-N 3.09Å
156F30Very low29.4Very low205 Ų205121 Ų12190%0.89968%0.676SS**THydrogen-bonded Turntrans-7615.2170.7-150.1-95.5000112P154P154-F156 VanDerWaalsContact C-N 3.32Å; P154-F156 PolarHBondContact O-N 3.28Å
157L25.9Very low28.6Very low158 Ų158125.6 Ų125.683%0.82771%0.705SS**THydrogen-bonded Turntrans-106.116.5174.4-76.3173.9000113.2S155S155-L157 PolarHBondContact O-N 3.45Å; S155-L157 VanDerWaalsContact O-N 3.09Å
158Q28.4Very low27.7Very low149 Ų149131.3 Ų131.370%0.69674%0.738SS**  trans-98.385.4156.2-76.1-178.7-700107.8D160Q158-D160 PolarHBondContact O-N 2.75Å
159S27.5Very low27.4Very low110 Ų110135.2 Ų135.277%0.76976%0.755SS**  trans-60.791.415052.20000107.1
160D28.5Very low27.2Very low134 Ų134141.6 Ų141.672%0.71776%0.763SS**  trans-140.3119.9157.4-83.4-37.2000107.4Q158 T162Q158-D160 PolarHBondContact O-N 2.75Å; D160-T162 PolarHBondContact O-N 3.06Å; D160-T162 VanDerWaalsContact O-N 3.12Å
161D29.4Very low26.9Very low170 Ų170144.6 Ų144.691%0.90978%0.78SS**  trans-43.4110.2-175.9-70-50.1000112.8
162T28.4Very low26.9Very low136 Ų136141.3 Ų141.383%0.83478%0.776SS**  trans-141.2117.4157.1250000110.9D160D160-T162 PolarHBondContact O-N 3.06Å; D160-T162 VanDerWaalsContact O-N 3.12Å
163T26Very low26.9Very low131 Ų131140.4 Ų140.480%0.80478%0.776SS**  trans-43.3127.3-179.245.30000114.5N165T163-N165 PolarHBondContact O-N 3.38Å
164L25.6Very low27Very low177 Ų177142.9 Ų142.993%0.92779%0.79SS**  trans-51.5102.1165.9-78134.3000110.9
165N25.3Very low27.3Very low155 Ų155141.6 Ų141.683%0.82978%0.783SS**  trans-96.1113.5159-99.2-17.7000109T163T163-N165 PolarHBondContact O-N 3.38Å
166S24.9Very low27.9Very low105 Ų105146 Ų14673%0.73479%0.794SS**  trans-49.7133169.457.60000112
167S24.4Very low28.1Very low109 Ų109143.1 Ų143.176%0.76279%0.789SS**  trans-176.5112.5136.4-78.10000110.8
168N23.9Very low28.7Very low158 Ų158141 Ų14185%0.84578%0.778SS**  trans68.562.2154.6-58.9-24.2000118.9
169D27.7Very low29.8Very low154 Ų154139.3 Ų139.382%0.82477%0.769SS**  trans-108.2119.5145.7-88.2-39.8000109D171D169-D171 PolarHBondContact O-N 3.39Å
170K25.6Very low31Very low201 Ų201138.5 Ų138.587%0.87476%0.763SS**  trans-67.2100.1170.4-79.1179.3174.7177.70106.8T172K170-T172 VanDerWaalsContact C-N 3.25Å; K170-T172 PolarHBondContact O-N 3.28Å
171D25.2Very low32.3Very low140 Ų140133.4 Ų133.475%0.74974%0.737SS**  trans-53.789.8165-72.6-39.6000109.6D169 N173D169-D171 PolarHBondContact O-N 3.39Å; D171-N173 PolarHBondContact O-N 2.99Å; D171-N173 VanDerWaalsContact O-N 3.09Å
172T28.4Very low33.9Very low116 Ų116128.6 Ų128.671%0.71271%0.711SS**  trans-69.397.7148.944.70000105.4K170 L174K170-T172 VanDerWaalsContact C-N 3.25Å; K170-T172 PolarHBondContact O-N 3.28Å; T172-L174 PolarHBondContact O-N 3Å
173N25.3Very low35.2Very low153 Ų153124.1 Ų124.182%0.81868%0.684SS**  trans-4988.2162.6-78.8-38.2000108.9D171 S175D171-N173 PolarHBondContact O-N 2.99Å; D171-N173 VanDerWaalsContact O-N 3.09Å; N173-S175 PolarHBondContact O-N 2.88Å; N173-S175 VanDerWaalsContact O-N 3.07Å
174L33Very low36.8Very low150 Ų150124.5 Ų124.579%0.78568%0.677SS**  trans-76.684.9163.5-77.8161.8000105T172 E176T172-L174 PolarHBondContact O-N 3Å; L174-E176 PolarHBondContact O-N 3.14Å
175S32.4Very low38.6Very low79 Ų79122.9 Ų122.955%0.55266%0.664SS**  trans-50.6123.2165.954.70000108.5N173 D177N173-S175 PolarHBondContact O-N 2.88Å; N173-S175 VanDerWaalsContact O-N 3.07Å; S175-D177 PolarHBondContact O-N 2.99Å
176E39.4Very low40.6Very low175 Ų175115.6 Ų115.682%0.81863%0.626SS**THydrogen-bonded Turntrans-63.70.4-165.7-70.1-178.2144.100115.9L174L174-E176 PolarHBondContact O-N 3.14Å
177D35Very low42.4Very low146 Ų146113.8 Ų113.878%0.78161%0.607SS**THydrogen-bonded Turntrans-113.97-170.7-73.7-34.1000116.4S175 F179S175-D177 PolarHBondContact O-N 2.99Å; D177-F179 PolarHBondContact O-N 2.67Å
178N38.8Very low44.5Very low113 Ų113118.8 Ų118.860%0.60461%0.609SS**  trans-92.959.5178.3-80.2-24000113.5S180N178-S180 PolarHBondContact O-N 2.93Å
179F50.9Low46.6Very low113 Ų113113.7 Ų113.750%0.49659%0.594SS.*  trans-78.46.8167.1-73.3-80.6000113.5S133 F134 D177 V181S133-F179 PolarHBondContact OG-O 3.26Å; F134-F179 HydrophobicContact CB-CE1 4.42Å; D177-F179 PolarHBondContact O-N 2.67Å; F179-V181 PolarHBondContact O-N 3.29Å
180S52.5Low48.7Very low94 Ų94109.7 Ų109.766%0.65758%0.578SS**  trans-75.1124176.464.50000110.7N178N178-S180 PolarHBondContact O-N 2.93Å
181V57Low51.3Low27 Ų27103.2 Ų103.216%0.16455%0.55CS.*  trans-97.3110171.5176.70000108I128 M136 F179 P183 V186 Y195I128-V181 HydrophobicContact CD1-CB 4.09Å; I128-V181 HydrophobicContact CD1-CG2 3.72Å; I128-V181 HydrophobicContact CG1-CG2 4.49Å; M136-V181 HydrophobicContact CB-CG2 3.98Å; M136-V181 HydrophobicContact CE-CG1 4.14Å; F179-V181 PolarHBondContact O-N 3.29Å; V181-P183 VanDerWaalsContact O-CD 3.25Å; V181-P183 WeakPolarHBondContact O-CD 3.47Å; V181-V186 HydrophobicContact CG1-CG2 3.69Å; V181-Y195 HydrophobicContact CG1-CD2 3.89Å; V181-Y195 HydrophobicContact CG1-CE2 4.13Å
182N61.5Low54.2Low68 Ų68100.8 Ų100.836%0.36453%0.53SS..  trans-68.9117.1172.5-176.9-15.9000109.8E184 H185 V186N182-E184 PolarHBondContact O-N 2.77Å; N182-E184 WeakPolarHBondContact OD1-CB 3.24Å; N182-E184 PolarHBondContact OD1-N 2.59Å; N182-H185 PolarHBondContact O-N 2.84Å; N182-V186 WeakPolarHBondContact O-CG2 3.47Å
183P57.6Low56.9Low42 Ų4298.8 Ų98.827%0.27351%0.513SS..G310 helixtrans-57-30.5179.4-2434.8000114.1V181 H185 V186 Y195 V465V181-P183 VanDerWaalsContact O-CD 3.25Å; V181-P183 WeakPolarHBondContact O-CD 3.47Å; P183-H185 PolarHBondContact O-N 2.95Å; P183-V186 WeakPolarHBondContact O-CB 3.18Å; P183-V186 PolarHBondContact O-N 2.8Å; P183-Y195 WeakPolarHBondContact CG-OH 3.46Å; P183-V465 HydrophobicContact CB-CG2 4.41Å
184E59.2Low59.9Low140 Ų14092.1 Ų92.165%0.65448%0.477SS*.G310 helixtrans-63.1-30.9-179.2-63.1-175.7161.300112.5N182 V186 I187N182-E184 PolarHBondContact O-N 2.77Å; N182-E184 WeakPolarHBondContact OD1-CB 3.24Å; N182-E184 PolarHBondContact OD1-N 2.59Å; E184-V186 PolarHBondContact O-N 2.78Å; E184-I187 WeakPolarHBondContact O-CD1 3.38Å; E184-I187 WeakPolarHBondContact O-CG1 3.44Å
185H62.9Low62.6Low142 Ų14285.4 Ų85.466%0.65744%0.441SS*.G310 helixtrans-80.1-3.2178-67.2151.7000113.9N182 P183N182-H185 PolarHBondContact O-N 2.84Å; P183-H185 PolarHBondContact O-N 2.95Å
186V67.2Low65.5Low3 Ų381.8 Ų81.82%0.01842%0.416CS..G310 helixtrans-109.12-169.7-172.70000113.1M136 V181 N182 P183 E184 R188 K191 R192 Y195M136-V186 HydrophobicContact CE-CB 4.27Å; M136-V186 HydrophobicContact CE-CG1 3.65Å; M136-V186 HydrophobicContact CE-CG2 3.56Å; V181-V186 HydrophobicContact CG1-CG2 3.69Å; N182-V186 WeakPolarHBondContact O-CG2 3.47Å; P183-V186 WeakPolarHBondContact O-CB 3.18Å; P183-V186 PolarHBondContact O-N 2.8Å; E184-V186 PolarHBondContact O-N 2.78Å; V186-R188 PolarHBondContact O-N 3.15Å; V186-K191 HydrophobicContact CG1-CB 4.22Å; V186-K191 WeakPolarHBondContact CG1-O 3.3Å; V186-R192 WeakPolarHBondContact O-CA 3.42Å; V186-R192 WeakPolarHBondContact O-CB 3.46Å; V186-R192 PolarHBondContact O-N 2.83Å; V186-Y195 HydrophobicContact CB-CG 4.26Å; V186-Y195 HydrophobicContact CG1-CD1 3.93Å; V186-Y195 HydrophobicContact CG1-CD2 4.26Å; V186-Y195 HydrophobicContact CG1-CG 3.55Å; V186-Y195 HydrophobicContact CG2-CD2 4.36Å; V186-Y195 HydrophobicContact CG2-CG 4.44Å
187I63.8Low68.1Low66 Ų6673.9 Ų73.934%0.33838%0.379SS..SBendtrans-65.1-14.9-171.2-60.9172.1000113.4E184E184-I187 WeakPolarHBondContact O-CD1 3.38Å; E184-I187 WeakPolarHBondContact O-CG1 3.44Å
188R66.4Low70.9Confident214 Ų21466.9 Ų66.981%0.80834%0.342SS*.SBendtrans-131150.1-172.5-60.5-176.5-177.2174.22.2114.4V186V186-R188 PolarHBondContact O-N 3.15Å
189G69.5Low73.7Confident51 Ų5161.5 Ų61.553%0.52631%0.313SS..Hα-helixtrans68.4-155.4168.700000115.1K191 R192G189-K191 VanDerWaalsContact C-N 3.28Å; G189-K191 PolarHBondContact O-N 2.86Å; G189-R192 WeakPolarHBondContact O-CB 3.28Å; G189-R192 PolarHBondContact O-N 2.9Å
190S71.9Confident75.9Confident71 Ų7156.1 Ų56.150%0.49729%0.289SS..Hα-helixtrans-62-32.5-177.2-59.20000113.2R192 H193 I194S190-R192 VanDerWaalsContact C-N 3.29Å; S190-R192 PolarHBondContact O-N 2.89Å; S190-H193 PolarHBondContact O-N 2.87Å; S190-H193 VanDerWaalsContact O-N 3.16Å; S190-I194 PolarHBondContact O-N 3.25Å
191K80.4Confident78.1Confident65 Ų6551.7 Ų51.728%0.28326%0.258SS..Hα-helixtrans-53.8-45.3174.8-77.1-166.1179.6-168.60111.8M136 W142 V186 G189 H193 I194 Y195M136-K191 HydrophobicContact CE-CB 3.97Å; M136-K191 HydrophobicContact CE-CD 4.4Å; M136-K191 HydrophobicContact CE-CG 4.29Å; W142-K191 HydrophobicContact CE3-CG 4.3Å; W142-K191 HydrophobicContact CH2-CD 3.78Å; W142-K191 HydrophobicContact CH2-CG 3.52Å; W142-K191 HydrophobicContact CZ2-CD 4.02Å; W142-K191 HydrophobicContact CZ2-CG 3.71Å; W142-K191 HydrophobicContact CZ3-CD 4.44Å; W142-K191 HydrophobicContact CZ3-CG 3.79Å; V186-K191 HydrophobicContact CG1-CB 4.22Å; V186-K191 WeakPolarHBondContact CG1-O 3.3Å; G189-K191 VanDerWaalsContact C-N 3.28Å; G189-K191 PolarHBondContact O-N 2.86Å; K191-H193 VanDerWaalsContact C-N 3.28Å; K191-H193 PolarHBondContact O-N 3.08Å; K191-I194 PolarHBondContact O-N 3.11Å; K191-Y195 PolarHBondContact O-N 3.4Å
192R85Confident80Confident88 Ų8850.8 Ų50.833%0.33225%0.252SS..Hα-helixtrans-54-45.9178.6-169.5178.960.9-171.41.7112V186 G189 S190 Q196 V465V186-R192 WeakPolarHBondContact O-CA 3.42Å; V186-R192 WeakPolarHBondContact O-CB 3.46Å; V186-R192 PolarHBondContact O-N 2.83Å; G189-R192 WeakPolarHBondContact O-CB 3.28Å; G189-R192 PolarHBondContact O-N 2.9Å; S190-R192 VanDerWaalsContact C-N 3.29Å; S190-R192 PolarHBondContact O-N 2.89Å; R192-Q196 WeakPolarHBondContact O-CB 3.39Å; R192-Q196 VanDerWaalsContact O-CG 3.26Å; R192-Q196 WeakPolarHBondContact O-CG 3.19Å; R192-Q196 PolarHBondContact O-N 2.95Å; R192-V465 WeakPolarHBondContact CD-O 3.48Å; R192-V465 HydrophobicContact CG-CG1 4.14Å
193H86.4Confident81.7Confident75 Ų7547.6 Ų47.635%0.34724%0.235SC..Hα-helixtrans-66.8-38.9-177.9-71.3-80.1000112.5S190 K191 N197 K312S190-H193 PolarHBondContact O-N 2.87Å; S190-H193 VanDerWaalsContact O-N 3.16Å; K191-H193 VanDerWaalsContact C-N 3.28Å; K191-H193 PolarHBondContact O-N 3.08Å; H193-N197 PolarHBondContact O-N 3.24Å; H193-N197 VanDerWaalsContact O-N 3.16Å; H193-N197 PolarHBondContact O-ND2 3.14Å; H193-N197 PolarHBondContact O-OD1 3.22Å; H193-K312 PolarHBondContact O-NZ 2.97Å
194I86.8Confident83.6Confident13 Ų1345.6 Ų45.67%0.06722%0.222CC..Hα-helixtrans-66.2-48.6177.6-63.3171000110I132 T135 M136 W142 S190 K191 Q196 N197 G198 W229I132-I194 HydrophobicContact CG2-CG2 3.85Å; T135-I194 HydrophobicContact CG2-CD1 4.48Å; M136-I194 HydrophobicContact CG-CG2 3.97Å; M136-I194 HydrophobicContact SD-CB 3.65Å; M136-I194 HydrophobicContact SD-CG2 3.52Å; M136-I194 VanDerWaalsContact SD-CG2 3.52Å; W142-I194 HydrophobicContact CB-CD1 4.1Å; W142-I194 HydrophobicContact CG-CD1 3.88Å; S190-I194 PolarHBondContact O-N 3.25Å; K191-I194 PolarHBondContact O-N 3.11Å; I194-Q196 PolarHBondContact O-N 3.29Å; I194-N197 WeakPolarHBondContact O-CA 3.36Å; I194-N197 WeakPolarHBondContact O-CB 3.48Å; I194-N197 PolarHBondContact O-N 3.45Å; I194-G198 PolarHBondContact O-N 3.23Å; I194-W229 HydrophobicContact CG2-CZ2 4Å
195Y90.6Very high85.4Confident8 Ų843.6 Ų43.63%0.03121%0.212CC..Hα-helixtrans-62.4-42.6178.5174.6-95.5000113.5I128 V181 P183 V186 K191 N197 G198 C199 V465I128-Y195 HydrophobicContact CD1-CD2 4.22Å; I128-Y195 HydrophobicContact CG2-CD2 4.45Å; I128-Y195 HydrophobicContact CG2-CE2 4.22Å; V181-Y195 HydrophobicContact CG1-CD2 3.89Å; V181-Y195 HydrophobicContact CG1-CE2 4.13Å; P183-Y195 WeakPolarHBondContact CG-OH 3.46Å; V186-Y195 HydrophobicContact CB-CG 4.26Å; V186-Y195 HydrophobicContact CG1-CD1 3.93Å; V186-Y195 HydrophobicContact CG1-CD2 4.26Å; V186-Y195 HydrophobicContact CG1-CG 3.55Å; V186-Y195 HydrophobicContact CG2-CD2 4.36Å; V186-Y195 HydrophobicContact CG2-CG 4.44Å; K191-Y195 PolarHBondContact O-N 3.4Å; Y195-N197 PolarHBondContact O-N 3.15Å; Y195-G198 PolarHBondContact O-N 2.58Å; Y195-C199 WeakPolarHBondContact CE1-SG 3.46Å; Y195-C199 PolarHBondContact O-N 3.07Å; Y195-C199 PolarHBondContact O-SG 3.42Å; Y195-V465 HydrophobicContact CD1-CG1 4.02Å; Y195-V465 HydrophobicContact CD1-CG2 4.44Å; Y195-V465 HydrophobicContact CE1-CG1 4.16Å; Y195-V465 HydrophobicContact CE1-CG2 3.93Å
196Q93.4Very high87Confident3 Ų342.4 Ų42.41%0.01421%0.205CC..Hα-helixtrans-57.9-38.3171.9-76.1176.7-43.200111.8R192 I194 C199 L200 H313 Y460 V465 T466R192-Q196 WeakPolarHBondContact O-CB 3.39Å; R192-Q196 VanDerWaalsContact O-CG 3.26Å; R192-Q196 WeakPolarHBondContact O-CG 3.19Å; R192-Q196 PolarHBondContact O-N 2.95Å; I194-Q196 PolarHBondContact O-N 3.29Å; Q196-C199 PolarHBondContact O-N 3.37Å; Q196-L200 VanDerWaalsContact O-CG 3.27Å; Q196-L200 WeakPolarHBondContact O-CG 3.35Å; Q196-L200 PolarHBondContact O-N 3.21Å; Q196-H313 PolarHBondContact NE2-NE2 3.02Å; Q196-Y460 HydrophobicContact CB-CE2 4.21Å; Q196-Y460 HydrophobicContact CG-CE2 4.23Å; Q196-Y460 PolarHBondContact NE2-OH 3.18Å; Q196-V465 HydrophobicContact CG-CG1 4.1Å; Q196-T466 VanDerWaalsContact NE2-CG2 3.27Å
197N93.9Very high88.4Confident9 Ų943.6 Ų43.65%0.04821%0.211CC..Hα-helixtrans-65.3-41.1174.6-65.7-21.4000111.4H193 I194 Y195 C199 L200 I201 W229 K312H193-N197 PolarHBondContact O-N 3.24Å; H193-N197 VanDerWaalsContact O-N 3.16Å; H193-N197 PolarHBondContact O-ND2 3.14Å; H193-N197 PolarHBondContact O-OD1 3.22Å; I194-N197 WeakPolarHBondContact O-CA 3.36Å; I194-N197 WeakPolarHBondContact O-CB 3.48Å; I194-N197 PolarHBondContact O-N 3.45Å; Y195-N197 PolarHBondContact O-N 3.15Å; N197-C199 VanDerWaalsContact C-N 3.33Å; N197-C199 PolarHBondContact O-N 2.91Å; N197-L200 PolarHBondContact O-N 3.28Å; N197-I201 WeakPolarHBondContact O-CB 3.36Å; N197-I201 WeakPolarHBondContact O-CG1 3.25Å; N197-I201 PolarHBondContact O-N 2.94Å; N197-W229 HydrophobicContact CB-CB 4.46Å; N197-W229 HydrophobicContact CB-CG 4.24Å; N197-K312 WeakPolarHBondContact OD1-CD 3.3Å; N197-K312 WeakPolarHBondContact OD1-CE 3.47Å; N197-K312 PolarHBondContact OD1-NZ 3.06Å
198G94.3Very high90Very high0 Ų047.1 Ų47.10%023%0.23CC..Hα-helixtrans-61.7-40.3174.800000113.2I132 I194 Y195 I201 R202I132-G198 VanDerWaalsContact CD1-CA 3.42Å; I194-G198 PolarHBondContact O-N 3.23Å; Y195-G198 PolarHBondContact O-N 2.58Å; G198-I201 PolarHBondContact O-N 3.33Å; G198-R202 PolarHBondContact O-N 3Å
199C96.9Very high91.5Very high0 Ų037.1 Ų37.10%019%0.193CC..Hα-helixtrans-63.6-42.5174.1-68.40000112.5Y195 Q196 N197 R202 V203 Y460Y195-C199 WeakPolarHBondContact CE1-SG 3.46Å; Y195-C199 PolarHBondContact O-N 3.07Å; Y195-C199 PolarHBondContact O-SG 3.42Å; Q196-C199 PolarHBondContact O-N 3.37Å; N197-C199 VanDerWaalsContact C-N 3.33Å; N197-C199 PolarHBondContact O-N 2.91Å; C199-R202 WeakPolarHBondContact O-CB 3.43Å; C199-R202 PolarHBondContact O-N 3.32Å; C199-V203 PolarHBondContact O-N 3.42Å; C199-V203 VanDerWaalsContact O-N 3.12Å; C199-Y460 HydrophobicContact CB-CD2 3.65Å; C199-Y460 HydrophobicContact CB-CE2 4.37Å; C199-Y460 VanDerWaalsContact CB-O 3.27Å; C199-Y460 WeakPolarHBondContact CB-O 3.48Å
200L98Very high92.8Very high0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-65.9-37175.3-69.1171.4000112.4Q196 N197 R202 V203 L204 L226 K312 M339 A341 Y460 V471Q196-L200 VanDerWaalsContact O-CG 3.27Å; Q196-L200 WeakPolarHBondContact O-CG 3.35Å; Q196-L200 PolarHBondContact O-N 3.21Å; N197-L200 PolarHBondContact O-N 3.28Å; L200-R202 VanDerWaalsContact C-N 3.34Å; L200-V203 WeakPolarHBondContact O-CB 3.41Å; L200-V203 PolarHBondContact O-N 2.89Å; L200-V203 VanDerWaalsContact O-N 3.12Å; L200-L204 PolarHBondContact O-N 3.16Å; L200-L226 HydrophobicContact CB-CD1 4Å; L200-L226 HydrophobicContact CD1-CD1 4.21Å; L200-L226 HydrophobicContact CD1-CD2 4.5Å; L200-K312 HydrophobicContact CD1-CB 4.07Å; L200-K312 HydrophobicContact CD1-CD 3.79Å; L200-K312 HydrophobicContact CD1-CG 3.77Å; L200-M339 HydrophobicContact CB-CE 4.17Å; L200-M339 HydrophobicContact CB-SD 4.15Å; L200-M339 HydrophobicContact CD2-CE 4.1Å; L200-M339 HydrophobicContact CD2-SD 4.09Å; L200-M339 HydrophobicContact CG-CE 4.49Å; L200-A341 HydrophobicContact CD1-CB 4.33Å; L200-A341 HydrophobicContact CD2-CB 3.85Å; L200-Y460 HydrophobicContact CD2-CD1 4.02Å; L200-Y460 HydrophobicContact CD2-CD2 3.76Å; L200-Y460 HydrophobicContact CD2-CE1 4.3Å; L200-Y460 HydrophobicContact CD2-CE2 4.08Å; L200-Y460 HydrophobicContact CD2-CG 3.75Å; L200-Y460 HydrophobicContact CG-CD2 3.93Å; L200-Y460 HydrophobicContact CG-CE2 4.06Å; L200-Y460 HydrophobicContact CG-CG 4.42Å; L200-V471 HydrophobicContact CD2-CG2 3.35Å
201I97.1Very high94Very high0 Ų036 Ų360%017%0.171CC..Hα-helixtrans-64.9-40.1175.7-76.7166.2000111.2H129 I132 N197 G198 V203 L204 E205 L210 L226 W229 I230H129-I201 HydrophobicContact CB-CG2 4.31Å; I132-I201 HydrophobicContact CD1-CB 4.5Å; I132-I201 HydrophobicContact CD1-CD1 3.56Å; N197-I201 WeakPolarHBondContact O-CB 3.36Å; N197-I201 WeakPolarHBondContact O-CG1 3.25Å; N197-I201 PolarHBondContact O-N 2.94Å; G198-I201 PolarHBondContact O-N 3.33Å; I201-V203 VanDerWaalsContact C-N 3.29Å; I201-V203 PolarHBondContact O-N 2.96Å; I201-L204 WeakPolarHBondContact O-CB 3.47Å; I201-L204 PolarHBondContact O-N 2.86Å; I201-E205 PolarHBondContact O-N 3.07Å; I201-L210 HydrophobicContact CG2-CD2 3.77Å; I201-L226 HydrophobicContact CG1-CD1 4.47Å; I201-W229 HydrophobicContact CD1-CB 3.38Å; I201-I230 HydrophobicContact CD1-CG1 4.39Å; I201-I230 HydrophobicContact CG1-CG1 4.11Å
202R97Very high94.7Very high9 Ų935.4 Ų35.43%0.03417%0.174CC..Hα-helixtrans-58.5-41.1169.8169176.751.5137.60.1111.9L123 S124 V125 G126 D127 G198 C199 L200 E205 K206 Y460L123-R202 PolarHBondContact O-NH1 2.99Å; L123-R202 PolarHBondContact O-NH2 3.27Å; S124-R202 PolarHBondContact O-NH2 2.99Å; V125-R202 PolarHBondContact O-NH1 2.6Å; G126-R202 VanDerWaalsContact CA-NH1 3.33Å; G126-R202 VanDerWaalsContact N-NH1 3.17Å; D127-R202 VanDerWaalsContact O-CD 3.3Å; D127-R202 WeakPolarHBondContact O-CD 3.43Å; G198-R202 PolarHBondContact O-N 3Å; C199-R202 WeakPolarHBondContact O-CB 3.43Å; C199-R202 PolarHBondContact O-N 3.32Å; L200-R202 VanDerWaalsContact C-N 3.34Å; R202-E205 PolarHBondContact O-N 2.66Å; R202-K206 HydrophobicContact CG-CG 4.26Å; R202-K206 WeakPolarHBondContact O-CB 3.27Å; R202-K206 VanDerWaalsContact O-CG 3.31Å; R202-K206 WeakPolarHBondContact O-CG 3.37Å; R202-K206 PolarHBondContact O-N 3.4Å; R202-Y460 PolarHBondContact NH2-O 3.47Å; R202-Y460 VanDerWaalsContact NH2-O 3.09Å
203V98.1Very high95.2Very high0 Ų032.1 Ų32.10%017%0.167CC..Hα-helixtrans-62.5-46.8175.1175.90000110.7L123 C199 L200 I201 E205 K206 E207 M339 V458 V471L123-V203 HydrophobicContact CD1-CG2 4.27Å; C199-V203 PolarHBondContact O-N 3.42Å; C199-V203 VanDerWaalsContact O-N 3.12Å; L200-V203 WeakPolarHBondContact O-CB 3.41Å; L200-V203 PolarHBondContact O-N 2.89Å; L200-V203 VanDerWaalsContact O-N 3.12Å; I201-V203 VanDerWaalsContact C-N 3.29Å; I201-V203 PolarHBondContact O-N 2.96Å; V203-E205 VanDerWaalsContact C-N 3.27Å; V203-E205 PolarHBondContact O-N 2.78Å; V203-K206 PolarHBondContact O-N 3.5Å; V203-E207 HydrophobicContact CG1-CG 4.05Å; V203-E207 WeakPolarHBondContact O-CB 3.27Å; V203-E207 WeakPolarHBondContact O-CG 3.36Å; V203-E207 PolarHBondContact O-N 3.44Å; V203-M339 HydrophobicContact CB-SD 4.48Å; V203-M339 HydrophobicContact CG1-CG 4.36Å; V203-M339 HydrophobicContact CG1-SD 4.44Å; V203-V458 HydrophobicContact CG1-CB 4.4Å; V203-V458 HydrophobicContact CG1-CG1 4.26Å; V203-V458 HydrophobicContact CG1-CG2 4.45Å; V203-V458 HydrophobicContact CG2-CG1 3.95Å; V203-V471 HydrophobicContact CG1-CG1 4.47Å
204L98.3Very high95.7Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-55.9-42.9175.6-70.3168.5000111.7L200 I201 N208 L209 L210 I230 V310 M339L200-L204 PolarHBondContact O-N 3.16Å; I201-L204 WeakPolarHBondContact O-CB 3.47Å; I201-L204 PolarHBondContact O-N 2.86Å; L204-N208 PolarHBondContact O-N 2.89Å; L204-L209 HydrophobicContact CB-CB 4.38Å; L204-L209 HydrophobicContact CD2-CB 3.69Å; L204-L209 HydrophobicContact CD2-CD1 4.26Å; L204-L209 CarbonylContact O-C 3.59Å; L204-L209 WeakPolarHBondContact O-CA 3.49Å; L204-L209 PolarHBondContact O-N 3.24Å; L204-L210 HydrophobicContact CB-CB 3.85Å; L204-L210 HydrophobicContact CB-CD1 4.45Å; L204-L210 HydrophobicContact CD1-CD1 4.44Å; L204-L210 PolarHBondContact O-N 3.06Å; L204-I230 HydrophobicContact CD1-CD1 3.59Å; L204-I230 HydrophobicContact CD1-CG1 3.85Å; L204-V310 HydrophobicContact CD2-CG1 4.06Å; L204-M339 HydrophobicContact CD1-SD 4.28Å; L204-M339 HydrophobicContact CD2-CB 3.61Å; L204-M339 HydrophobicContact CD2-CE 4.47Å; L204-M339 HydrophobicContact CD2-CG 4.07Å; L204-M339 HydrophobicContact CD2-SD 3.73Å; L204-M339 HydrophobicContact CG-CE 4.46Å; L204-M339 HydrophobicContact CG-SD 3.59Å; L204-M339 VanDerWaalsContact CG-SD 3.59Å
205E96.2Very high96.2Very high98 Ų9828.4 Ų28.446%0.45815%0.15SC..Hα-helixtrans-63.4-50.6176.8-174.6-177.2-166.600111.9I201 R202 V203 E207 N208 L210I201-E205 PolarHBondContact O-N 3.07Å; R202-E205 PolarHBondContact O-N 2.66Å; V203-E205 VanDerWaalsContact C-N 3.27Å; V203-E205 PolarHBondContact O-N 2.78Å; E205-E207 VanDerWaalsContact C-N 3.26Å; E205-E207 PolarHBondContact O-N 2.97Å; E205-N208 PolarHBondContact O-N 3.31Å; E205-L210 HydrophobicContact CB-CB 4.36Å; E205-L210 HydrophobicContact CB-CD2 4.07Å
206K96.8Very high96.6Very high118 Ų11828 Ų2851%0.51315%0.148SC..Hα-helixtrans-68.4-22.8-177.9-66-60.2179.7-169.10114L123 R202 V203L123-K206 HydrophobicContact CD1-CB 3.75Å; L123-K206 HydrophobicContact CD1-CG 4.01Å; R202-K206 HydrophobicContact CG-CG 4.26Å; R202-K206 WeakPolarHBondContact O-CB 3.27Å; R202-K206 VanDerWaalsContact O-CG 3.31Å; R202-K206 WeakPolarHBondContact O-CG 3.37Å; R202-K206 PolarHBondContact O-N 3.4Å; V203-K206 PolarHBondContact O-N 3.5Å
207E96.9Very high96.9Very high28 Ų2827.9 Ų27.913%0.13115%0.148CC..THydrogen-bonded Turntrans-95.18.8173.7-58.8-65124.800112.4K121 V203 E205 L209 S456 C473K121-E207 IonicContact NZ-OE1 3.94Å; K121-E207 PolarHBondContact NZ-OE1 2.9Å; V203-E207 HydrophobicContact CG1-CG 4.05Å; V203-E207 WeakPolarHBondContact O-CB 3.27Å; V203-E207 WeakPolarHBondContact O-CG 3.36Å; V203-E207 PolarHBondContact O-N 3.44Å; E205-E207 VanDerWaalsContact C-N 3.26Å; E205-E207 PolarHBondContact O-N 2.97Å; E207-L209 VanDerWaalsContact C-N 3.26Å; E207-L209 HydrophobicContact CB-CD1 4.19Å; E207-L209 HydrophobicContact CB-CG 4.16Å; E207-L209 PolarHBondContact O-N 2.82Å; E207-S456 PolarHBondContact OE2-OG 2.78Å; E207-C473 HydrophobicContact CG-CB 4.17Å
208N96.8Very high97.1Very high139 Ų13927.7 Ų27.774%0.74315%0.146SC*.THydrogen-bonded Turntrans58.332.3-179.2-54.1-63.3000114.5L204 E205L204-N208 PolarHBondContact O-N 2.89Å; E205-N208 PolarHBondContact O-N 3.31Å
209L98.1Very high97.3Very high5 Ų527.7 Ų27.73%0.02615%0.146CC..  trans-104.7-0.2178.3-61-179.8000113.1L204 E207 Y216 I308 M339L204-L209 HydrophobicContact CB-CB 4.38Å; L204-L209 HydrophobicContact CD2-CB 3.69Å; L204-L209 HydrophobicContact CD2-CD1 4.26Å; L204-L209 CarbonylContact O-C 3.59Å; L204-L209 WeakPolarHBondContact O-CA 3.49Å; L204-L209 PolarHBondContact O-N 3.24Å; E207-L209 VanDerWaalsContact C-N 3.26Å; E207-L209 HydrophobicContact CB-CD1 4.19Å; E207-L209 HydrophobicContact CB-CG 4.16Å; E207-L209 PolarHBondContact O-N 2.82Å; L209-Y216 WeakPolarHBondContact O-CE1 3.38Å; L209-Y216 PolarHBondContact O-OH 2.85Å; L209-I308 HydrophobicContact CB-CG2 4.21Å; L209-I308 HydrophobicContact CD2-CD1 4.15Å; L209-M339 HydrophobicContact CD1-CB 4.29Å
210L97Very high97.2Very high27 Ų2729 Ų2914%0.14116%0.159CC..  trans-106.388.6178.2-170.568.6000111.1I201 L204 E205 Y216 I230 L234I201-L210 HydrophobicContact CG2-CD2 3.77Å; L204-L210 HydrophobicContact CB-CB 3.85Å; L204-L210 HydrophobicContact CB-CD1 4.45Å; L204-L210 HydrophobicContact CD1-CD1 4.44Å; L204-L210 PolarHBondContact O-N 3.06Å; E205-L210 HydrophobicContact CB-CB 4.36Å; E205-L210 HydrophobicContact CB-CD2 4.07Å; L210-Y216 WeakPolarHBondContact CA-OH 3.25Å; L210-I230 HydrophobicContact CD1-CG2 3.87Å; L210-L234 HydrophobicContact CD1-CD1 4.42Å; L210-L234 HydrophobicContact CD1-CD2 4.04Å; L210-L234 HydrophobicContact CD1-CG 4.08Å; L210-L234 HydrophobicContact CG-CD2 3.92Å; L210-L234 HydrophobicContact CG-CG 4.49Å
211T95.6Very high97.1Very high70 Ų7029.3 Ų29.343%0.42916%0.162SC..  trans-145.3152.6177.849.20000111.5N214 Y216T211-N214 PolarHBondContact O-ND2 3.43Å; T211-N214 PolarHBondContact OG1-ND2 2.86Å; T211-Y216 PolarHBondContact N-OH 2.9Å; T211-Y216 PolarHBondContact O-OH 3.17Å
212T95.1Very high96.8Very high54 Ų5430.1 Ų30.133%0.33117%0.171SC..SBendtrans-68.7169.8170.150.10000110.8N214 L234 P256 T258T212-N214 VanDerWaalsContact C-N 3.27Å; T212-N214 PolarHBondContact O-N 3.38Å; T212-L234 HydrophobicContact CG2-CB 4.09Å; T212-L234 HydrophobicContact CG2-CD2 4.26Å; T212-P256 WeakPolarHBondContact CB-O 3.33Å; T212-T258 WeakPolarHBondContact CA-OG1 3.41Å
213G95.2Very high96.4Very high18 Ų1834 Ų3419%0.18619%0.186CC..SBendtrans78.88.2-179.300000114.5E257 T258 R305G213-E257 CarbonylContact C-O 3.5Å; G213-E257 WeakPolarHBondContact CA-O 3.34Å; G213-E257 PolarHBondContact N-O 2.79Å; G213-T258 PolarHBondContact N-OG1 3.33Å; G213-R305 WeakPolarHBondContact O-CB 3.13Å; G213-R305 VanDerWaalsContact O-CD 3.25Å; G213-R305 WeakPolarHBondContact O-CD 3.44Å; G213-R305 WeakPolarHBondContact O-CG 3.49Å
214N97.4Very high96.2Very high11 Ų1134 Ų346%0.05919%0.186CC..  trans-110.4161.4-177.1-65.3-37.2000113.3T211 T212 Y216 T258 S259 P306 I308T211-N214 PolarHBondContact O-ND2 3.43Å; T211-N214 PolarHBondContact OG1-ND2 2.86Å; T212-N214 VanDerWaalsContact C-N 3.27Å; T212-N214 PolarHBondContact O-N 3.38Å; N214-Y216 HydrophobicContact CB-CD2 4.33Å; N214-Y216 HydrophobicContact CB-CE2 3.88Å; N214-T258 WeakPolarHBondContact O-CA 3.46Å; N214-T258 WeakPolarHBondContact O-CG2 3.4Å; N214-S259 PolarHBondContact O-N 3.21Å; N214-S259 VanDerWaalsContact O-N 3.14Å; N214-P306 WeakPolarHBondContact OD1-CB 3.37Å; N214-I308 HydrophobicContact CB-CG1 4.35Å
215L98.2Very high95.9Very high0 Ų034.6 Ų34.60%019%0.191CC..EExtended strand (participates in β ladder)trans-101.1114.1164.317758.2000109.4S259 I261 L299 I300 N303 P306 L307 I308L215-S259 WeakPolarHBondContact CA-O 3.11Å; L215-S259 WeakPolarHBondContact CD1-O 3.07Å; L215-I261 HydrophobicContact CD1-CD1 4.1Å; L215-I261 HydrophobicContact CD1-CG1 4.09Å; L215-I261 HydrophobicContact CD2-CD1 4.06Å; L215-I261 HydrophobicContact CG-CD1 4.47Å; L215-L299 HydrophobicContact CD1-CD2 4.25Å; L215-I300 HydrophobicContact CD2-CD1 3.77Å; L215-N303 HydrophobicContact CD2-CB 4.1Å; L215-P306 PolarHBondContact N-O 3Å; L215-L307 HydrophobicContact CD2-CD1 4.06Å; L215-L307 HydrophobicContact CG-CD1 4.35Å; L215-L307 CarbonylContact O-C 3.58Å; L215-L307 VanDerWaalsContact O-CA 3.28Å; L215-L307 WeakPolarHBondContact O-CA 3.28Å; L215-I308 PolarHBondContact O-N 3.45Å
216Y98.6Very high95.8Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-91.1129.6174-74.1-88.5000110.6L209 L210 T211 N214 I230 L234 T258 S259 F260 I261 I308 V310L209-Y216 WeakPolarHBondContact O-CE1 3.38Å; L209-Y216 PolarHBondContact O-OH 2.85Å; L210-Y216 WeakPolarHBondContact CA-OH 3.25Å; T211-Y216 PolarHBondContact N-OH 2.9Å; T211-Y216 PolarHBondContact O-OH 3.17Å; N214-Y216 HydrophobicContact CB-CD2 4.33Å; N214-Y216 HydrophobicContact CB-CE2 3.88Å; Y216-I230 HydrophobicContact CD1-CD1 4.16Å; Y216-I230 HydrophobicContact CD1-CG2 4.25Å; Y216-I230 HydrophobicContact CD2-CG2 4.18Å; Y216-I230 HydrophobicContact CE1-CD1 4.44Å; Y216-I230 HydrophobicContact CE1-CG2 4.1Å; Y216-I230 HydrophobicContact CE2-CG2 4.02Å; Y216-I230 HydrophobicContact CG-CG2 4.3Å; Y216-L234 HydrophobicContact CE2-CD1 3.83Å; Y216-T258 HydrophobicContact CD2-CG2 3.75Å; Y216-T258 HydrophobicContact CE2-CG2 3.91Å; Y216-S259 PolarHBondContact N-O 3.46Å; Y216-F260 VanDerWaalsContact CB-CD1 3.46Å; Y216-F260 HydrophobicContact CD2-CD1 4.34Å; Y216-F260 AromaticContact CD2-CE1 3.7Å; Y216-F260 HydrophobicContact CD2-CE1 3.7Å; Y216-F260 HydrophobicContact CD2-CZ 4.03Å; Y216-F260 HydrophobicContact CG-CD1 4.17Å; Y216-F260 AromaticContact CG-CE1 3.78Å; Y216-F260 HydrophobicContact CG-CE1 3.78Å; Y216-F260 CarbonylContact O-C 3.59Å; Y216-F260 VanDerWaalsContact O-CA 3.3Å; Y216-F260 WeakPolarHBondContact O-CA 3.41Å; Y216-I261 PolarHBondContact O-N 3.46Å; Y216-I308 WeakPolarHBondContact CA-O 3.37Å; Y216-I308 HydrophobicContact CD1-CB 3.83Å; Y216-I308 HydrophobicContact CD1-CG2 4.07Å; Y216-I308 HydrophobicContact CE1-CB 3.75Å; Y216-I308 HydrophobicContact CE1-CG1 4.16Å; Y216-I308 HydrophobicContact CE1-CG2 3.8Å; Y216-V310 HydrophobicContact CD1-CG1 4.23Å
217L98.6Very high95.8Very high0 Ų024.4 Ų24.40%015%0.145CC..EExtended strand (participates in β ladder)trans-114.6106.2176.5172.861.1000110F219 I261 V263 L294 L307 I308 A309 V310 L326L217-F219 HydrophobicContact CD2-CE1 4.47Å; L217-F219 HydrophobicContact CD2-CE2 3.68Å; L217-F219 HydrophobicContact CD2-CZ 3.68Å; L217-F219 HydrophobicContact CG-CD2 4.33Å; L217-F219 HydrophobicContact CG-CE2 3.97Å; L217-F219 HydrophobicContact CG-CZ 4.24Å; L217-I261 CarbonylContact C-O 3.57Å; L217-I261 WeakPolarHBondContact CA-O 3.35Å; L217-I261 HydrophobicContact CD1-CB 3.7Å; L217-I261 HydrophobicContact CD1-CG2 3.48Å; L217-I261 VanDerWaalsContact CD1-CG2 3.48Å; L217-V263 HydrophobicContact CD1-CG2 3.82Å; L217-L294 HydrophobicContact CD1-CD2 4.45Å; L217-L294 HydrophobicContact CD2-CD1 3.7Å; L217-L294 HydrophobicContact CD2-CD2 3.91Å; L217-L294 HydrophobicContact CD2-CG 4.48Å; L217-L307 HydrophobicContact CB-CD1 4.41Å; L217-L307 HydrophobicContact CB-CD2 4.23Å; L217-L307 HydrophobicContact CB-CG 4.43Å; L217-L307 HydrophobicContact CD2-CD1 4.45Å; L217-L307 HydrophobicContact CD2-CD2 4.44Å; L217-I308 PolarHBondContact N-O 3.3Å; L217-A309 CarbonylContact O-C 3.55Å; L217-A309 WeakPolarHBondContact O-CA 3.27Å; L217-V310 PolarHBondContact O-N 3.44Å; L217-L326 HydrophobicContact CD2-CD2 4.08Å
218E98.5Very high95.6Very high5 Ų524.1 Ų24.12%0.02314%0.144CC..EExtended strand (participates in β ladder)trans-93.4113.7176.8-171.3180176.900111.5A221 L226 S227 I261 V262 V263 V310E218-A221 HydrophobicContact CB-CB 4.1Å; E218-A221 HydrophobicContact CG-CB 3.69Å; E218-L226 WeakPolarHBondContact OE1-CB 3.41Å; E218-S227 VanDerWaalsContact CB-OG 3.28Å; E218-S227 WeakPolarHBondContact CB-OG 3.47Å; E218-S227 WeakPolarHBondContact OE2-CB 2.92Å; E218-S227 PolarHBondContact OE2-N 2.89Å; E218-S227 PolarHBondContact OE2-OG 2.97Å; E218-I261 PolarHBondContact N-O 3.29Å; E218-V262 HydrophobicContact CB-CG1 4.17Å; E218-V263 PolarHBondContact O-N 3.15Å; E218-V310 CarbonylContact C-O 3.55Å; E218-V310 VanDerWaalsContact CA-O 3.27Å; E218-V310 WeakPolarHBondContact CA-O 3.42Å; E218-V310 HydrophobicContact CB-CG2 3.81Å; E218-V310 HydrophobicContact CG-CG2 4.11Å
219F98.3Very high95.4Very high0 Ų017.8 Ų17.80%011%0.11CC..EExtended strand (participates in β ladder)trans-85.1139.5170.9-71.8-78.9000111.7L217 A221 V263 I289 L292 L294 A309 V310 A311 L314 S322 C325 L326 F340L217-F219 HydrophobicContact CD2-CE1 4.47Å; L217-F219 HydrophobicContact CD2-CE2 3.68Å; L217-F219 HydrophobicContact CD2-CZ 3.68Å; L217-F219 HydrophobicContact CG-CD2 4.33Å; L217-F219 HydrophobicContact CG-CE2 3.97Å; L217-F219 HydrophobicContact CG-CZ 4.24Å; F219-A221 VanDerWaalsContact C-N 3.29Å; F219-A221 PolarHBondContact O-N 3.08Å; F219-V263 HydrophobicContact CD1-CB 4.44Å; F219-I289 HydrophobicContact CB-CD1 4.26Å; F219-I289 HydrophobicContact CD1-CD1 4.01Å; F219-I289 HydrophobicContact CD1-CG1 4.13Å; F219-I289 HydrophobicContact CD1-CG2 4.2Å; F219-I289 HydrophobicContact CE1-CG2 4.18Å; F219-L292 HydrophobicContact CE1-CD2 4.45Å; F219-L294 HydrophobicContact CZ-CD1 4.12Å; F219-A309 HydrophobicContact CE2-CB 4.37Å; F219-V310 PolarHBondContact N-O 2.98Å; F219-A311 HydrophobicContact CB-CB 4.31Å; F219-L314 HydrophobicContact CB-CD2 4.01Å; F219-S322 WeakPolarHBondContact CB-OG 3.32Å; F219-S322 WeakPolarHBondContact CD1-OG 3.15Å; F219-S322 WeakPolarHBondContact CG-OG 3.46Å; F219-C325 HydrophobicContact CE1-CB 4.24Å; F219-C325 HydrophobicContact CZ-CB 4.23Å; F219-L326 HydrophobicContact CE2-CD1 4.27Å; F219-L326 HydrophobicContact CE2-CD2 3.98Å; F219-L326 HydrophobicContact CE2-CG 3.99Å; F219-L326 HydrophobicContact CZ-CD2 4.19Å; F219-L326 HydrophobicContact CZ-CG 4.19Å; F219-F340 HydrophobicContact CD2-CE1 4.07Å; F219-F340 AromaticContact CD2-CZ 3.73Å; F219-F340 HydrophobicContact CD2-CZ 3.73Å; F219-F340 HydrophobicContact CE2-CZ 4.11Å
220G95.8Very high95.2Very high26 Ų2617.6 Ų17.627%0.26811%0.109SC..THydrogen-bonded Turntrans61.240.8-179.400000112G222 V263G220-G222 PolarHBondContact O-N 3.1Å; G220-G222 VanDerWaalsContact O-N 3.15Å; G220-V263 WeakPolarHBondContact CA-O 3.42Å; G220-V263 PolarHBondContact N-O 2.72Å
221A94.8Very high95.1Very high7 Ų716.3 Ų16.36%0.05810%0.102CC..  trans-66.1-21.5-165.700000113.8E218 F219 R223 A224 V262 V263E218-A221 HydrophobicContact CB-CB 4.1Å; E218-A221 HydrophobicContact CG-CB 3.69Å; F219-A221 VanDerWaalsContact C-N 3.29Å; F219-A221 PolarHBondContact O-N 3.08Å; A221-R223 PolarHBondContact O-N 3.14Å; A221-A224 WeakPolarHBondContact O-CA 3.48Å; A221-A224 PolarHBondContact O-N 2.81Å; A221-V262 HydrophobicContact CB-CB 3.74Å; A221-V262 HydrophobicContact CB-CG1 4.37Å; A221-V263 PolarHBondContact N-O 3.12Å
222G91.1Very high94.8Very high18 Ų1813.2 Ų13.219%0.1868%0.083CC..THydrogen-bonded Turntrans51.5-112.9-171.500000110.5G220 A224 E264 V268 R284G220-G222 PolarHBondContact O-N 3.1Å; G220-G222 VanDerWaalsContact O-N 3.15Å; G222-A224 PolarHBondContact O-N 2.89Å; G222-E264 WeakPolarHBondContact CA-OE2 3.32Å; G222-E264 PolarHBondContact N-OE2 3.15Å; G222-V268 VanDerWaalsContact O-CG2 3.24Å; G222-V268 WeakPolarHBondContact O-CG2 3.31Å; G222-R284 PolarHBondContact O-NH1 3.04Å; G222-R284 PolarHBondContact O-NH2 3.17Å; G222-R284 VanDerWaalsContact O-NH2 3.13Å
223R89.7Confident94.5Very high91 Ų9110.7 Ų10.734%0.3437%0.068SC..THydrogen-bonded Turntrans-76.83.8176.8-63.6-174.5-64.5174.52.6114.9A221 G225 V268 F270 M272A221-R223 PolarHBondContact O-N 3.14Å; R223-G225 VanDerWaalsContact C-N 3.33Å; R223-V268 HydrophobicContact CG-CB 4.49Å; R223-V268 HydrophobicContact CG-CG2 4.18Å; R223-F270 VanDerWaalsContact CD-O 3.28Å; R223-F270 WeakPolarHBondContact CD-O 3.44Å; R223-M272 HydrophobicContact CB-CG 4.2Å; R223-M272 HydrophobicContact CB-SD 4.47Å; R223-M272 WeakPolarHBondContact O-CB 3.19Å; R223-M272 PolarHBondContact O-N 2.96Å
224A93Very high94.3Very high0 Ų010.2 Ų10.20%06%0.061CC..THydrogen-bonded Turntrans59.340.8-16900000112.7A221 G222 H228 V262 D273 R284A221-A224 WeakPolarHBondContact O-CA 3.48Å; A221-A224 PolarHBondContact O-N 2.81Å; G222-A224 PolarHBondContact O-N 2.89Å; A224-H228 WeakPolarHBondContact O-CB 3.22Å; A224-H228 PolarHBondContact O-N 3.36Å; A224-V262 HydrophobicContact CB-CB 4.17Å; A224-V262 HydrophobicContact CB-CG1 3.84Å; A224-V262 HydrophobicContact CB-CG2 4.18Å; A224-D273 HydrophobicContact CB-CB 3.86Å; A224-R284 VanDerWaalsContact CB-NH2 3.26Å
225G91.3Very high93.8Very high12 Ų1210 Ų1012%0.1246%0.06CC..Hα-helixtrans-66.6-41.4-174.300000112.7R223 W229R223-G225 VanDerWaalsContact C-N 3.33Å; G225-W229 PolarHBondContact O-N 2.8Å
226L95.5Very high92.9Very high1 Ų110.3 Ų10.31%0.0056%0.063CC..Hα-helixtrans-70.7-52.2-179177.662000110.7L200 I201 E218 H228 W229 I230 V310 K312 M339L200-L226 HydrophobicContact CB-CD1 4Å; L200-L226 HydrophobicContact CD1-CD1 4.21Å; L200-L226 HydrophobicContact CD1-CD2 4.5Å; I201-L226 HydrophobicContact CG1-CD1 4.47Å; E218-L226 WeakPolarHBondContact OE1-CB 3.41Å; L226-H228 VanDerWaalsContact C-N 3.26Å; L226-H228 PolarHBondContact O-N 3.05Å; L226-W229 PolarHBondContact O-N 3.31Å; L226-I230 HydrophobicContact CD1-CD1 4.26Å; L226-I230 HydrophobicContact CD1-CG1 4.4Å; L226-I230 HydrophobicContact CG-CD1 3.93Å; L226-I230 HydrophobicContact CG-CG1 4.48Å; L226-I230 WeakPolarHBondContact O-CG1 3.39Å; L226-I230 PolarHBondContact O-N 2.73Å; L226-V310 HydrophobicContact CD2-CB 3.93Å; L226-V310 HydrophobicContact CD2-CG2 3.99Å; L226-K312 HydrophobicContact CD2-CB 4.32Å; L226-M339 HydrophobicContact CD2-CE 3.71Å
227S96.2Very high91.5Very high0 Ų014.3 Ų14.30%09%0.09CC..Hα-helixtrans-58.3-37.7177.6-62.70000112.7E218 W229 I230 N231E218-S227 VanDerWaalsContact CB-OG 3.28Å; E218-S227 WeakPolarHBondContact CB-OG 3.47Å; E218-S227 WeakPolarHBondContact OE2-CB 2.92Å; E218-S227 PolarHBondContact OE2-N 2.89Å; E218-S227 PolarHBondContact OE2-OG 2.97Å; S227-W229 VanDerWaalsContact C-N 3.31Å; S227-W229 PolarHBondContact O-N 3.25Å; S227-I230 PolarHBondContact O-N 3.09Å; S227-N231 WeakPolarHBondContact O-CB 3.34Å; S227-N231 PolarHBondContact O-N 3.46Å
228H92.4Very high89.7Confident23 Ų2319.8 Ų19.811%0.10612%0.116CC..Hα-helixtrans-55.6-46.8175174.280.4000111.9A224 L226 N232 M272 Q276A224-H228 WeakPolarHBondContact O-CB 3.22Å; A224-H228 PolarHBondContact O-N 3.36Å; L226-H228 VanDerWaalsContact C-N 3.26Å; L226-H228 PolarHBondContact O-N 3.05Å; H228-N232 PolarHBondContact CE1-ND2 3.12Å; H228-N232 PolarHBondContact NE2-ND2 3.12Å; H228-N232 PolarHBondContact O-N 3.24Å; H228-N232 VanDerWaalsContact O-N 3.14Å; H228-N232 PolarHBondContact O-OD1 3.03Å; H228-M272 HydrophobicContact CB-CB 4.08Å; H228-M272 HydrophobicContact CB-CE 4.38Å; H228-M272 VanDerWaalsContact CD2-CE 3.44Å; H228-M272 WeakPolarHBondContact CD2-CE 3.31Å; H228-M272 PolarHBondContact ND1-O 2.96Å; H228-Q276 PolarHBondContact ND1-NE2 3.18Å; H228-Q276 PolarHBondContact ND1-OE1 2.95Å; H228-Q276 PolarHBondContact O-NE2 3.17Å
229W92.1Very high87.7Confident6 Ų624.2 Ų24.22%0.02314%0.139CC..Hα-helixtrans-73.5-35.6179.3-75.1110.4000112.7L131 I132 T135 I194 N197 I201 G225 L226 S227 N231 N232 C233 W251L131-W229 HydrophobicContact CG-CZ3 4.34Å; I132-W229 HydrophobicContact CD1-CB 4.36Å; I132-W229 HydrophobicContact CD1-CD2 4.39Å; I132-W229 HydrophobicContact CD1-CE3 4.16Å; I132-W229 HydrophobicContact CD1-CG 4.5Å; I132-W229 HydrophobicContact CG1-CD2 4.2Å; I132-W229 HydrophobicContact CG1-CE3 3.61Å; I132-W229 HydrophobicContact CG1-CZ3 4.01Å; T135-W229 HydrophobicContact CG2-CH2 3.49Å; T135-W229 VanDerWaalsContact CG2-CH2 3.49Å; T135-W229 HydrophobicContact CG2-CZ2 3.91Å; T135-W229 VanDerWaalsContact OG1-CH2 3.28Å; T135-W229 WeakPolarHBondContact OG1-CH2 3.37Å; I194-W229 HydrophobicContact CG2-CZ2 4Å; N197-W229 HydrophobicContact CB-CB 4.46Å; N197-W229 HydrophobicContact CB-CG 4.24Å; I201-W229 HydrophobicContact CD1-CB 3.38Å; G225-W229 PolarHBondContact O-N 2.8Å; L226-W229 PolarHBondContact O-N 3.31Å; S227-W229 VanDerWaalsContact C-N 3.31Å; S227-W229 PolarHBondContact O-N 3.25Å; W229-N231 VanDerWaalsContact C-N 3.35Å; W229-N231 PolarHBondContact O-N 2.75Å; W229-N232 PolarHBondContact O-N 3.34Å; W229-C233 WeakPolarHBondContact O-CB 2.98Å; W229-C233 PolarHBondContact O-N 3.45Å; W229-C233 PolarHBondContact O-SG 3.2Å; W229-W251 HydrophobicContact CH2-CH2 4.1Å; W229-W251 HydrophobicContact CH2-CZ3 4.21Å; W229-W251 HydrophobicContact CZ3-CH2 4.02Å; W229-W251 AromaticContact CZ3-CZ3 3.82Å; W229-W251 HydrophobicContact CZ3-CZ3 3.82Å
230I95.4Very high85.6Confident0 Ų026 Ų260%016%0.158CC..Hα-helixtrans-56.9-51.3172.7-67.1168.8000109.6I201 L204 L210 Y216 L226 S227 N232 C233 L234 F260 V310I201-I230 HydrophobicContact CD1-CG1 4.39Å; I201-I230 HydrophobicContact CG1-CG1 4.11Å; L204-I230 HydrophobicContact CD1-CD1 3.59Å; L204-I230 HydrophobicContact CD1-CG1 3.85Å; L210-I230 HydrophobicContact CD1-CG2 3.87Å; Y216-I230 HydrophobicContact CD1-CD1 4.16Å; Y216-I230 HydrophobicContact CD1-CG2 4.25Å; Y216-I230 HydrophobicContact CD2-CG2 4.18Å; Y216-I230 HydrophobicContact CE1-CD1 4.44Å; Y216-I230 HydrophobicContact CE1-CG2 4.1Å; Y216-I230 HydrophobicContact CE2-CG2 4.02Å; Y216-I230 HydrophobicContact CG-CG2 4.3Å; L226-I230 HydrophobicContact CD1-CD1 4.26Å; L226-I230 HydrophobicContact CD1-CG1 4.4Å; L226-I230 HydrophobicContact CG-CD1 3.93Å; L226-I230 HydrophobicContact CG-CG1 4.48Å; L226-I230 WeakPolarHBondContact O-CG1 3.39Å; L226-I230 PolarHBondContact O-N 2.73Å; S227-I230 PolarHBondContact O-N 3.09Å; I230-N232 PolarHBondContact O-N 3.31Å; I230-C233 PolarHBondContact O-N 3.31Å; I230-L234 HydrophobicContact CG2-CD1 3.8Å; I230-L234 HydrophobicContact CG2-CG 4.38Å; I230-L234 WeakPolarHBondContact O-CB 3.33Å; I230-L234 WeakPolarHBondContact O-CG 3.4Å; I230-L234 PolarHBondContact O-N 2.75Å; I230-F260 HydrophobicContact CB-CE1 3.99Å; I230-F260 HydrophobicContact CB-CZ 4.43Å; I230-F260 HydrophobicContact CG2-CE1 3.69Å; I230-F260 HydrophobicContact CG2-CZ 3.94Å; I230-V310 HydrophobicContact CD1-CG1 4.44Å; I230-V310 HydrophobicContact CD1-CG2 4.34Å
231N93.6Very high83.5Confident0 Ų030.3 Ų30.30%018%0.183CC..Hα-helixtrans-54.7-50.8177174.587.8000112.1S227 W229 C233 L234 A235 V253 A255 F260 Q276 N281 F282S227-N231 WeakPolarHBondContact O-CB 3.34Å; S227-N231 PolarHBondContact O-N 3.46Å; W229-N231 VanDerWaalsContact C-N 3.35Å; W229-N231 PolarHBondContact O-N 2.75Å; N231-C233 VanDerWaalsContact C-N 3.33Å; N231-C233 PolarHBondContact O-N 2.89Å; N231-L234 PolarHBondContact O-N 3.24Å; N231-A235 WeakPolarHBondContact O-CB 3.31Å; N231-A235 PolarHBondContact O-N 3.19Å; N231-V253 PolarHBondContact ND2-O 2.86Å; N231-A255 PolarHBondContact OD1-N 2.96Å; N231-F260 HydrophobicContact CB-CE1 4.48Å; N231-F260 HydrophobicContact CB-CE2 3.69Å; N231-F260 HydrophobicContact CB-CZ 3.68Å; N231-Q276 PolarHBondContact ND2-NE2 2.94Å; N231-N281 PolarHBondContact OD1-ND2 2.91Å; N231-F282 HydrophobicContact CB-CE2 3.88Å; N231-F282 HydrophobicContact CB-CZ 4.01Å
232N89Confident81.3Confident6 Ų638 Ų383%0.03221%0.211CC..Hα-helixtrans-66.7-37-175.4-62.9-5.5000111.7L131 H228 W229 I230 S236 W251 Q276L131-N232 HydrophobicContact CD2-CB 3.69Å; L131-N232 WeakPolarHBondContact CD2-O 3.26Å; H228-N232 PolarHBondContact CE1-ND2 3.12Å; H228-N232 PolarHBondContact NE2-ND2 3.12Å; H228-N232 PolarHBondContact O-N 3.24Å; H228-N232 VanDerWaalsContact O-N 3.14Å; H228-N232 PolarHBondContact O-OD1 3.03Å; W229-N232 PolarHBondContact O-N 3.34Å; I230-N232 PolarHBondContact O-N 3.31Å; N232-S236 VanDerWaalsContact O-CB 3.25Å; N232-S236 WeakPolarHBondContact O-CB 3.49Å; N232-S236 PolarHBondContact O-N 2.82Å; N232-S236 PolarHBondContact O-OG 3.38Å; N232-W251 HydrophobicContact CB-CE3 4.35Å; N232-W251 HydrophobicContact CB-CZ3 4.36Å; N232-Q276 PolarHBondContact OD1-NE2 3.25Å
233C89.8Confident79.4Confident1 Ų137.8 Ų37.81%0.00721%0.207CC..Hα-helixtrans-65.9-48.3176.5-630000111H129 W229 I230 N231 A235 S236 S237H129-C233 VanDerWaalsContact CG-SG 3.57Å; W229-C233 WeakPolarHBondContact O-CB 2.98Å; W229-C233 PolarHBondContact O-N 3.45Å; W229-C233 PolarHBondContact O-SG 3.2Å; I230-C233 PolarHBondContact O-N 3.31Å; N231-C233 VanDerWaalsContact C-N 3.33Å; N231-C233 PolarHBondContact O-N 2.89Å; C233-A235 VanDerWaalsContact C-N 3.32Å; C233-A235 PolarHBondContact O-N 3.43Å; C233-S236 WeakPolarHBondContact O-CB 3.43Å; C233-S236 PolarHBondContact O-N 2.92Å; C233-S236 VanDerWaalsContact O-N 3.08Å; C233-S236 PolarHBondContact O-OG 3.36Å; C233-S237 PolarHBondContact O-N 3.25Å
234L91.9Very high77.6Confident8 Ų835.1 Ų35.14%0.04220%0.197CC..Hα-helixtrans-63.8-35177.4-70.4177.3000113.3L210 T212 Y216 I230 N231 S236 S237 A255 T258L210-L234 HydrophobicContact CD1-CD1 4.42Å; L210-L234 HydrophobicContact CD1-CD2 4.04Å; L210-L234 HydrophobicContact CD1-CG 4.08Å; L210-L234 HydrophobicContact CG-CD2 3.92Å; L210-L234 HydrophobicContact CG-CG 4.49Å; T212-L234 HydrophobicContact CG2-CB 4.09Å; T212-L234 HydrophobicContact CG2-CD2 4.26Å; Y216-L234 HydrophobicContact CE2-CD1 3.83Å; I230-L234 HydrophobicContact CG2-CD1 3.8Å; I230-L234 HydrophobicContact CG2-CG 4.38Å; I230-L234 WeakPolarHBondContact O-CB 3.33Å; I230-L234 WeakPolarHBondContact O-CG 3.4Å; I230-L234 PolarHBondContact O-N 2.75Å; N231-L234 PolarHBondContact O-N 3.24Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S237 PolarHBondContact O-OG 3.04Å; L234-A255 HydrophobicContact CB-CB 3.71Å; L234-A255 HydrophobicContact CD1-CB 4.43Å; L234-T258 HydrophobicContact CD1-CG2 4.08Å
235A85.8Confident75.7Confident5 Ų540.8 Ų40.84%0.04123%0.227CC..Hα-helixtrans-75-21.8176.300000112.3N231 C233 P252 A255N231-A235 WeakPolarHBondContact O-CB 3.31Å; N231-A235 PolarHBondContact O-N 3.19Å; C233-A235 VanDerWaalsContact C-N 3.32Å; C233-A235 PolarHBondContact O-N 3.43Å; A235-P252 HydrophobicContact CB-CB 3.33Å; A235-P252 HydrophobicContact CB-CG 4.41Å; A235-A255 HydrophobicContact CB-CB 4.37Å
236S78.7Confident73.5Confident8 Ų848.1 Ų48.16%0.05625%0.251CS..Hα-helixtrans-82-33179.2750000114.8H129 N232 C233 L234 E238 L239 Y244H129-S236 PolarHBondContact CE1-OG 3.14Å; H129-S236 VanDerWaalsContact CE1-OG 3.27Å; N232-S236 VanDerWaalsContact O-CB 3.25Å; N232-S236 WeakPolarHBondContact O-CB 3.49Å; N232-S236 PolarHBondContact O-N 2.82Å; N232-S236 PolarHBondContact O-OG 3.38Å; C233-S236 WeakPolarHBondContact O-CB 3.43Å; C233-S236 PolarHBondContact O-N 2.92Å; C233-S236 VanDerWaalsContact O-N 3.08Å; C233-S236 PolarHBondContact O-OG 3.36Å; L234-S236 VanDerWaalsContact C-N 3.28Å; S236-E238 PolarHBondContact O-N 3.31Å; S236-L239 PolarHBondContact O-N 3.46Å; S236-Y244 WeakPolarHBondContact CB-OH 3.39Å
237S70.8Confident71.2Confident83 Ų8353.2 Ų53.258%0.5827%0.273SS*.Hα-helixtrans-59.1-27.517839.90000112.2C233 L234C233-S237 PolarHBondContact O-N 3.25Å; L234-S237 PolarHBondContact O-OG 3.04Å
238E59.1Low69Low116 Ų11658 Ų5854%0.54230%0.304SS..Hα-helixtrans-85.6-24.2179.5-67-164.6-155.600114.6S236 G240 P256S236-E238 PolarHBondContact O-N 3.31Å; E238-G240 VanDerWaalsContact C-N 3.28Å; E238-G240 PolarHBondContact O-N 2.92Å; E238-P256 VanDerWaalsContact OE1-CB 3.26Å; E238-P256 WeakPolarHBondContact OE1-CB 3.27Å; E238-P256 WeakPolarHBondContact OE1-CD 3.42Å; E238-P256 WeakPolarHBondContact OE1-CG 3.34Å; E238-P256 VanDerWaalsContact OE2-CG 3.25Å; E238-P256 WeakPolarHBondContact OE2-CG 3.43Å
239L56.9Low67.1Low98 Ų9857.4 Ų57.451%0.51331%0.305SS..Hα-helixtrans-83-6179.8-78.5158.1000113.3S236 C243 P252S236-L239 PolarHBondContact O-N 3.46Å; L239-C243 HydrophobicContact CB-CB 3.62Å; L239-C243 VanDerWaalsContact CB-SG 3.56Å; L239-P252 HydrophobicContact CD1-CB 3.55Å; L239-P252 HydrophobicContact CD1-CG 3.39Å
240G54.7Low65.3Low37 Ų3761.8 Ų61.838%0.38133%0.328SS..  trans72.8157.9-175.700000113.3E238 R242 C243E238-G240 VanDerWaalsContact C-N 3.28Å; E238-G240 PolarHBondContact O-N 2.92Å; G240-R242 PolarHBondContact O-N 3.39Å; G240-C243 PolarHBondContact O-N 2.81Å; G240-C243 PolarHBondContact O-SG 3.11Å
241S52.8Low63.6Low116 Ų11663.4 Ų63.481%0.81133%0.334SS*.THydrogen-bonded Turntrans-53.8-21.9-174.3-43.10000114.8
242R47.4Very low62.1Low170 Ų17064 Ų6464%0.64234%0.338SS*.THydrogen-bonded Turntrans-96.43.3-172.8-74.5-175.8161178.5-5115.4G240 Y244 R246G240-R242 PolarHBondContact O-N 3.39Å; R242-Y244 VanDerWaalsContact C-N 3.33Å; R242-R246 WeakPolarHBondContact O-CB 3.29Å; R242-R246 PolarHBondContact O-N 2.91Å; R242-R246 VanDerWaalsContact O-N 3.14Å
243C50.9Low61.2Low13 Ų1366.1 Ų66.19%0.08835%0.351CS..Hα-helixtrans-69.6-33.3-179.566.90000112.5L239 G240 F247L239-C243 HydrophobicContact CB-CB 3.62Å; L239-C243 VanDerWaalsContact CB-SG 3.56Å; G240-C243 PolarHBondContact O-N 2.81Å; G240-C243 PolarHBondContact O-SG 3.11Å; C243-F247 PolarHBondContact O-N 3.18Å
244Y52.3Low60.9Low34 Ų3471.1 Ų71.113%0.13337%0.372CS..Hα-helixtrans-71.6-39.4178.4-60-66.8000112.7L131 S236 R242L131-Y244 HydrophobicContact CD1-CD1 4.07Å; L131-Y244 HydrophobicContact CD1-CE1 3.37Å; L131-Y244 HydrophobicContact CD1-CE2 3.95Å; L131-Y244 VanDerWaalsContact CD1-OH 3.27Å; L131-Y244 WeakPolarHBondContact CD1-OH 3.47Å; L131-Y244 VanDerWaalsContact CD2-OH 3.24Å; L131-Y244 WeakPolarHBondContact CD2-OH 3.46Å; S236-Y244 WeakPolarHBondContact CB-OH 3.39Å; R242-Y244 VanDerWaalsContact C-N 3.33Å
245D52.2Low60.9Low119 Ų11970.8 Ų70.864%0.63637%0.37SS*.Hα-helixtrans-68.4-38.2176.7-51.6-30.1000111.1
246R46Very low61Low166 Ų16672.5 Ų72.563%0.62638%0.381SS*.Hα-helixtrans-79.7-29.8-179.2-95.4-176.6-83.4-146.10.9114.5R242R242-R246 WeakPolarHBondContact O-CB 3.29Å; R242-R246 PolarHBondContact O-N 2.91Å; R242-R246 VanDerWaalsContact O-N 3.14Å
247F47.6Very low61.6Low108 Ų10879.6 Ų79.647%0.47441%0.413SS..SBendtrans-136.467.1-176.6-57.4-74.6000112C243 G249 I250C243-F247 PolarHBondContact O-N 3.18Å; F247-G249 PolarHBondContact O-N 3.44Å; F247-I250 HydrophobicContact CB-CB 3.91Å; F247-I250 HydrophobicContact CB-CD1 3.82Å; F247-I250 HydrophobicContact CB-CG1 3.94Å; F247-I250 HydrophobicContact CD1-CD1 3.88Å; F247-I250 HydrophobicContact CG-CD1 3.97Å; F247-I250 PolarHBondContact O-N 2.97Å
248P49.6Very low62.8Low100 Ų10075.8 Ų75.865%0.64939%0.387SS*.THydrogen-bonded Turntrans-56108.2175.321.8-31.8000110.2
249G51.9Low64.6Low12 Ų1271.3 Ų71.312%0.12437%0.368CS..THydrogen-bonded Turntrans116.3-18.9-18000000115.6F147 I150 F247 W251F147-G249 WeakPolarHBondContact CZ-O 3.48Å; I150-G249 WeakPolarHBondContact CD1-O 3.3Å; F247-G249 PolarHBondContact O-N 3.44Å; G249-W251 PolarHBondContact O-N 2.97Å
250I55.4Low66.5Low98 Ų9866.7 Ų66.750%0.50334%0.344SS..  trans-84.7100.1172.8-58.2-176.1000108I153 F247I153-I250 HydrophobicContact CD1-CG1 4.4Å; F247-I250 HydrophobicContact CB-CB 3.91Å; F247-I250 HydrophobicContact CB-CD1 3.82Å; F247-I250 HydrophobicContact CB-CG1 3.94Å; F247-I250 HydrophobicContact CD1-CD1 3.88Å; F247-I250 HydrophobicContact CG-CD1 3.97Å; F247-I250 PolarHBondContact O-N 2.97Å
251W59Low68.6Low34 Ų3464.9 Ų64.913%0.12933%0.326CS..  trans-87.8135.6176.3-80.256.7000110.1L131 T135 H141 F147 W229 N232 G249 V253L131-W251 HydrophobicContact CD1-CE3 4.24Å; L131-W251 HydrophobicContact CD1-CH2 3.37Å; L131-W251 HydrophobicContact CD1-CZ2 4.11Å; L131-W251 HydrophobicContact CD1-CZ3 3.45Å; L131-W251 VanDerWaalsContact CD1-CZ3 3.45Å; L131-W251 HydrophobicContact CD2-CE3 4.31Å; L131-W251 HydrophobicContact CD2-CH2 4.41Å; L131-W251 HydrophobicContact CD2-CZ3 3.68Å; L131-W251 HydrophobicContact CG-CH2 3.9Å; L131-W251 HydrophobicContact CG-CZ3 3.66Å; T135-W251 VanDerWaalsContact OG1-CH2 3.32Å; T135-W251 WeakPolarHBondContact OG1-CH2 3.5Å; H141-W251 HydrophobicContact CB-CZ2 4.18Å; H141-W251 AromaticContact CE1-NE1 3.85Å; H141-W251 AromaticContact CG-CZ2 4Å; H141-W251 AromaticContact ND1-CE2 3.98Å; H141-W251 AromaticContact ND1-CZ2 3.87Å; H141-W251 AromaticContact ND1-NE1 3.6Å; F147-W251 HydrophobicContact CE2-CB 4.22Å; F147-W251 AromaticContact CE2-CD1 3.18Å; F147-W251 HydrophobicContact CE2-CD2 4.27Å; F147-W251 AromaticContact CE2-CG 3.6Å; F147-W251 HydrophobicContact CE2-CG 3.6Å; F147-W251 AromaticContact CE2-NE1 3.51Å; F147-W251 AromaticContact CZ-CD1 3.09Å; F147-W251 AromaticContact CZ-CG 3.99Å; F147-W251 HydrophobicContact CZ-CG 3.99Å; F147-W251 AromaticContact CZ-NE1 3.2Å; W229-W251 HydrophobicContact CH2-CH2 4.1Å; W229-W251 HydrophobicContact CH2-CZ3 4.21Å; W229-W251 HydrophobicContact CZ3-CH2 4.02Å; W229-W251 AromaticContact CZ3-CZ3 3.82Å; W229-W251 HydrophobicContact CZ3-CZ3 3.82Å; N232-W251 HydrophobicContact CB-CE3 4.35Å; N232-W251 HydrophobicContact CB-CZ3 4.36Å; G249-W251 PolarHBondContact O-N 2.97Å; W251-V253 WeakPolarHBondContact O-CG2 3.43Å; W251-V253 PolarHBondContact O-N 3.44Å
252P63.4Low70.7Confident12 Ų1259.4 Ų59.48%0.07829%0.287CS..  trans-61112.1172-12.625.7000108.2A235 L239A235-P252 HydrophobicContact CB-CB 3.33Å; A235-P252 HydrophobicContact CB-CG 4.41Å; L239-P252 HydrophobicContact CD1-CB 3.55Å; L239-P252 HydrophobicContact CD1-CG 3.39Å
253V69.9Low73.1Confident51 Ų5151.3 Ų51.331%0.30926%0.257SS..  trans-85.8-27.7-170.4-158.30000111.6N231 W251 R275 Q276 E279N231-V253 PolarHBondContact ND2-O 2.86Å; W251-V253 WeakPolarHBondContact O-CG2 3.43Å; W251-V253 PolarHBondContact O-N 3.44Å; V253-R275 HydrophobicContact CG1-CB 4.36Å; V253-Q276 HydrophobicContact CG1-CG 4.43Å; V253-E279 HydrophobicContact CB-CG 3.84Å; V253-E279 HydrophobicContact CG1-CB 4.42Å; V253-E279 HydrophobicContact CG1-CG 3.36Å
254K83.6Confident75.2Confident106 Ų10651.9 Ų51.946%0.46126%0.258SS..  trans-132.5117.2-170.9-176.1167.7-178.3166.10111.7E279 N281K254-E279 PolarHBondContact NZ-O 2.96Å; K254-E279 VanDerWaalsContact NZ-O 3.15Å; K254-N281 HydrophobicContact CD-CB 4.28Å; K254-N281 HydrophobicContact CG-CB 4.02Å
255A90Very high77Confident0 Ų054.9 Ų54.90%028%0.276CS..  trans-66.4129168.900000110.1N231 L234 A235 T258 F260N231-A255 PolarHBondContact OD1-N 2.96Å; L234-A255 HydrophobicContact CB-CB 3.71Å; L234-A255 HydrophobicContact CD1-CB 4.43Å; A235-A255 HydrophobicContact CB-CB 4.37Å; A255-T258 HydrophobicContact CB-CG2 4.1Å; A255-T258 PolarHBondContact O-N 3.43Å; A255-F260 HydrophobicContact CB-CE2 4.44Å
256P88.9Confident78.4Confident41 Ų4154 Ų5427%0.26627%0.271SS..THydrogen-bonded Turntrans-64.6138.6-174.6-33.947.9000112.4T212 E238 T258T212-P256 WeakPolarHBondContact CB-O 3.33Å; E238-P256 VanDerWaalsContact OE1-CB 3.26Å; E238-P256 WeakPolarHBondContact OE1-CB 3.27Å; E238-P256 WeakPolarHBondContact OE1-CD 3.42Å; E238-P256 WeakPolarHBondContact OE1-CG 3.34Å; E238-P256 VanDerWaalsContact OE2-CG 3.25Å; E238-P256 WeakPolarHBondContact OE2-CG 3.43Å; P256-T258 WeakPolarHBondContact O-CB 3.44Å; P256-T258 PolarHBondContact O-N 3.49Å; P256-T258 PolarHBondContact O-OG1 3.09Å
257E92.1Very high79.9Confident157 Ų15750.8 Ų50.873%0.73427%0.274SS*.THydrogen-bonded Turntrans45.128.8-176.6-57.4-172.9173.100113.9G213 R305G213-E257 CarbonylContact C-O 3.5Å; G213-E257 WeakPolarHBondContact CA-O 3.34Å; G213-E257 PolarHBondContact N-O 2.79Å; E257-R305 PolarHBondContact O-NH1 3.37Å
258T95.6Very high81.3Confident3 Ų347.4 Ų47.42%0.01826%0.263CS..  trans-121.6132.4-174.3-54.80000108.9T212 G213 N214 Y216 L234 A255 P256 F260T212-T258 WeakPolarHBondContact CA-OG1 3.41Å; G213-T258 PolarHBondContact N-OG1 3.33Å; N214-T258 WeakPolarHBondContact O-CA 3.46Å; N214-T258 WeakPolarHBondContact O-CG2 3.4Å; Y216-T258 HydrophobicContact CD2-CG2 3.75Å; Y216-T258 HydrophobicContact CE2-CG2 3.91Å; L234-T258 HydrophobicContact CD1-CG2 4.08Å; A255-T258 HydrophobicContact CB-CG2 4.1Å; A255-T258 PolarHBondContact O-N 3.43Å; P256-T258 WeakPolarHBondContact O-CB 3.44Å; P256-T258 PolarHBondContact O-N 3.49Å; P256-T258 PolarHBondContact O-OG1 3.09Å; T258-F260 HydrophobicContact CG2-CD2 4.43Å; T258-F260 HydrophobicContact CG2-CE2 3.57Å; T258-F260 HydrophobicContact CG2-CZ 3.61Å
259S96.4Very high82.5Confident23 Ų2352.5 Ų52.516%0.16127%0.269CS..EExtended strand (participates in β ladder)trans-127155.4178.5-54.50000110.3N214 L215 Y216 N281 R305N214-S259 PolarHBondContact O-N 3.21Å; N214-S259 VanDerWaalsContact O-N 3.14Å; L215-S259 WeakPolarHBondContact CA-O 3.11Å; L215-S259 WeakPolarHBondContact CD1-O 3.07Å; Y216-S259 PolarHBondContact N-O 3.46Å; S259-N281 CarbonylContact C-O 3.42Å; S259-N281 WeakPolarHBondContact CA-O 3.34Å; S259-R305 PolarHBondContact OG-NH1 3.5Å; S259-R305 PolarHBondContact OG-NH2 3.17Å
260F97.8Very high83.7Confident0 Ų057.3 Ų57.30%029%0.287CS..EExtended strand (participates in β ladder)trans-129.1130.2-175.6-63.2-94.3000109.9Y216 I230 N231 A255 T258 N281 F282 T283Y216-F260 VanDerWaalsContact CB-CD1 3.46Å; Y216-F260 HydrophobicContact CD2-CD1 4.34Å; Y216-F260 AromaticContact CD2-CE1 3.7Å; Y216-F260 HydrophobicContact CD2-CE1 3.7Å; Y216-F260 HydrophobicContact CD2-CZ 4.03Å; Y216-F260 HydrophobicContact CG-CD1 4.17Å; Y216-F260 AromaticContact CG-CE1 3.78Å; Y216-F260 HydrophobicContact CG-CE1 3.78Å; Y216-F260 CarbonylContact O-C 3.59Å; Y216-F260 VanDerWaalsContact O-CA 3.3Å; Y216-F260 WeakPolarHBondContact O-CA 3.41Å; I230-F260 HydrophobicContact CB-CE1 3.99Å; I230-F260 HydrophobicContact CB-CZ 4.43Å; I230-F260 HydrophobicContact CG2-CE1 3.69Å; I230-F260 HydrophobicContact CG2-CZ 3.94Å; N231-F260 HydrophobicContact CB-CE1 4.48Å; N231-F260 HydrophobicContact CB-CE2 3.69Å; N231-F260 HydrophobicContact CB-CZ 3.68Å; A255-F260 HydrophobicContact CB-CE2 4.44Å; T258-F260 HydrophobicContact CG2-CD2 4.43Å; T258-F260 HydrophobicContact CG2-CE2 3.57Å; T258-F260 HydrophobicContact CG2-CZ 3.61Å; F260-N281 PolarHBondContact N-O 2.82Å; F260-F282 HydrophobicContact CB-CD1 3.69Å; F260-F282 HydrophobicContact CB-CD2 3.84Å; F260-F282 HydrophobicContact CB-CE1 3.73Å; F260-F282 HydrophobicContact CB-CE2 3.88Å; F260-F282 HydrophobicContact CB-CG 3.77Å; F260-F282 HydrophobicContact CB-CZ 3.83Å; F260-F282 HydrophobicContact CD1-CE1 4.33Å; F260-F282 HydrophobicContact CD1-CE2 4.33Å; F260-F282 AromaticContact CD1-CZ 3.92Å; F260-F282 HydrophobicContact CD1-CZ 3.92Å; F260-F282 AromaticContact CD2-CD2 3.65Å; F260-F282 HydrophobicContact CD2-CD2 3.65Å; F260-F282 HydrophobicContact CD2-CE1 4.42Å; F260-F282 AromaticContact CD2-CE2 3.18Å; F260-F282 HydrophobicContact CD2-CE2 3.18Å; F260-F282 HydrophobicContact CD2-CG 4.45Å; F260-F282 AromaticContact CD2-CZ 3.64Å; F260-F282 HydrophobicContact CD2-CZ 3.64Å; F260-F282 HydrophobicContact CE1-CZ 4.45Å; F260-F282 AromaticContact CE2-CE2 3.77Å; F260-F282 HydrophobicContact CE2-CE2 3.77Å; F260-F282 HydrophobicContact CE2-CZ 4.19Å; F260-F282 HydrophobicContact CG-CD1 4.31Å; F260-F282 AromaticContact CG-CD2 3.97Å; F260-F282 HydrophobicContact CG-CD2 3.97Å; F260-F282 AromaticContact CG-CE1 3.91Å; F260-F282 HydrophobicContact CG-CE1 3.91Å; F260-F282 AromaticContact CG-CE2 3.54Å; F260-F282 HydrophobicContact CG-CE2 3.54Å; F260-F282 HydrophobicContact CG-CG 4.36Å; F260-F282 AromaticContact CG-CZ 3.5Å; F260-F282 HydrophobicContact CG-CZ 3.5Å; F260-F282 CarbonylContact O-C 2.93Å; F260-F282 WeakPolarHBondContact O-CA 3.37Å; F260-T283 PolarHBondContact O-N 3.34Å
261I98Very high85Confident0 Ų055 Ų550%027%0.273CS..EExtended strand (participates in β ladder)trans-106.9126.3163.1-65165000107.1L215 Y216 L217 E218 V263 T283 I285 V297 L299 I300L215-I261 HydrophobicContact CD1-CD1 4.1Å; L215-I261 HydrophobicContact CD1-CG1 4.09Å; L215-I261 HydrophobicContact CD2-CD1 4.06Å; L215-I261 HydrophobicContact CG-CD1 4.47Å; Y216-I261 PolarHBondContact O-N 3.46Å; L217-I261 CarbonylContact C-O 3.57Å; L217-I261 WeakPolarHBondContact CA-O 3.35Å; L217-I261 HydrophobicContact CD1-CB 3.7Å; L217-I261 HydrophobicContact CD1-CG2 3.48Å; L217-I261 VanDerWaalsContact CD1-CG2 3.48Å; E218-I261 PolarHBondContact N-O 3.29Å; I261-V263 HydrophobicContact CG2-CG2 4.17Å; I261-T283 CarbonylContact C-O 3.46Å; I261-T283 VanDerWaalsContact CA-O 3.3Å; I261-T283 WeakPolarHBondContact CA-O 3.35Å; I261-I285 HydrophobicContact CG2-CD1 3.87Å; I261-I285 HydrophobicContact CG2-CG1 4.29Å; I261-V297 HydrophobicContact CD1-CG1 4.3Å; I261-L299 HydrophobicContact CD1-CB 4.23Å; I261-L299 HydrophobicContact CD1-CD2 3.91Å; I261-L299 HydrophobicContact CD1-CG 4.1Å; I261-L299 HydrophobicContact CG1-CD2 3.62Å; I261-L299 HydrophobicContact CG1-CG 4.37Å; I261-I300 HydrophobicContact CD1-CD1 3.72Å; I261-I300 HydrophobicContact CD1-CG1 3.85Å
262V97.5Very high86.1Confident0 Ų054.5 Ų54.50%027%0.272CS..EExtended strand (participates in β ladder)trans-119.2119.5177.9-59.80000109.8E218 A221 A224 F282 T283 R284 I285E218-V262 HydrophobicContact CB-CG1 4.17Å; A221-V262 HydrophobicContact CB-CB 3.74Å; A221-V262 HydrophobicContact CB-CG1 4.37Å; A224-V262 HydrophobicContact CB-CB 4.17Å; A224-V262 HydrophobicContact CB-CG1 3.84Å; A224-V262 HydrophobicContact CB-CG2 4.18Å; V262-F282 HydrophobicContact CG1-CD1 4.04Å; V262-F282 HydrophobicContact CG1-CE1 4.16Å; V262-T283 PolarHBondContact N-O 2.76Å; V262-R284 HydrophobicContact CG2-CB 3.63Å; V262-R284 HydrophobicContact CG2-CG 3.88Å; V262-R284 WeakPolarHBondContact O-CA 3.45Å; V262-I285 PolarHBondContact O-N 3.37Å
263V97.3Very high87.3Confident0 Ų053.9 Ų53.90%027%0.268CS..EExtended strand (participates in β ladder)trans-105.6125.6-175.6-178.30000109.4L217 E218 F219 G220 A221 I261 I285 I287 I289 L292L217-V263 HydrophobicContact CD1-CG2 3.82Å; E218-V263 PolarHBondContact O-N 3.15Å; F219-V263 HydrophobicContact CD1-CB 4.44Å; G220-V263 WeakPolarHBondContact CA-O 3.42Å; G220-V263 PolarHBondContact N-O 2.72Å; A221-V263 PolarHBondContact N-O 3.12Å; I261-V263 HydrophobicContact CG2-CG2 4.17Å; V263-I285 WeakPolarHBondContact CA-O 3.25Å; V263-I287 HydrophobicContact CG1-CG2 3.94Å; V263-I289 HydrophobicContact CG1-CG1 4.12Å; V263-L292 HydrophobicContact CB-CD2 4.48Å; V263-L292 HydrophobicContact CG1-CD2 3.86Å; V263-L292 HydrophobicContact CG2-CD2 3.77Å
264E93.9Very high88Confident25 Ų2558.5 Ų58.512%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-147.6142.6178.1171.453-127.900110.6G222 N266 I285 T286 I287G222-E264 WeakPolarHBondContact CA-OE2 3.32Å; G222-E264 PolarHBondContact N-OE2 3.15Å; E264-N266 VanDerWaalsContact CG-O 3.24Å; E264-N266 WeakPolarHBondContact CG-O 3.3Å; E264-N266 PolarHBondContact OE1-N 2.99Å; E264-I285 PolarHBondContact N-O 3.3Å; E264-I285 VanDerWaalsContact N-O 3.11Å; E264-T286 CarbonylContact O-C 3.46Å; E264-T286 WeakPolarHBondContact O-CA 3.26Å; E264-I287 PolarHBondContact O-N 3.14Å; E264-I287 VanDerWaalsContact O-N 3.08Å
265L90.3Very high87.7Confident97 Ų9758.7 Ų58.751%0.50828%0.278SS..SBendtrans-74.9-42.2178.3178.661.3000112T286 N288L265-T286 WeakPolarHBondContact O-CG2 2.96Å; L265-N288 HydrophobicContact CD1-CB 3.83Å
266N83.2Confident87.5Confident100 Ų10058.9 Ų58.954%0.53528%0.279SS..SBendtrans-100.7143.8-169.6-62.5-67000113.2E264 V268E264-N266 VanDerWaalsContact CG-O 3.24Å; E264-N266 WeakPolarHBondContact CG-O 3.3Å; E264-N266 PolarHBondContact OE1-N 2.99Å; N266-V268 PolarHBondContact O-N 3.19Å
267S76.5Confident87.2Confident100 Ų10060.4 Ų60.470%0.69928%0.279SS*.  trans-71.6100.3166.8-170.20000109.8
268V76.6Confident86.8Confident37 Ų3758.9 Ų58.922%0.22428%0.276CS..  trans-84.9147.3176.7-61.10000111.8G222 R223 N266 K271G222-V268 VanDerWaalsContact O-CG2 3.24Å; G222-V268 WeakPolarHBondContact O-CG2 3.31Å; R223-V268 HydrophobicContact CG-CB 4.49Å; R223-V268 HydrophobicContact CG-CG2 4.18Å; N266-V268 PolarHBondContact O-N 3.19Å; V268-K271 HydrophobicContact CG2-CG 3.79Å; V268-K271 VanDerWaalsContact O-CE 3.27Å; V268-K271 WeakPolarHBondContact O-CE 3.37Å
269R74.6Confident86.2Confident207 Ų20763.4 Ų63.478%0.78130%0.297SS*.SBendtrans-80.3160.2168.1-64.5-176.6-179.9-175.8-0.9110.1K271R269-K271 PolarHBondContact O-N 3.36Å
270F77.3Confident85.7Confident113 Ų11365.1 Ų65.150%0.49632%0.318SS..SBendtrans53.952.9175.7-44.3-63.6000112.4S144 S145 R223 M272S144-F270 CarbonylContact O-C 3.56Å; S145-F270 WeakPolarHBondContact OG-CD1 3.4Å; R223-F270 VanDerWaalsContact CD-O 3.28Å; R223-F270 WeakPolarHBondContact CD-O 3.44Å; F270-M272 PolarHBondContact O-N 2.99Å
271K83.6Confident85.5Confident48 Ų4865.3 Ų65.321%0.20932%0.319CS..  trans-64120.9174.5-73.4172.9-175.4162.20109.5V268 R269 D273 R274V268-K271 HydrophobicContact CG2-CG 3.79Å; V268-K271 VanDerWaalsContact O-CE 3.27Å; V268-K271 WeakPolarHBondContact O-CE 3.37Å; R269-K271 PolarHBondContact O-N 3.36Å; K271-D273 VanDerWaalsContact C-N 3.29Å; K271-D273 WeakPolarHBondContact CB-OD1 3.04Å; K271-R274 PolarHBondContact O-N 2.84Å
272M82.4Confident85.3Confident24 Ų2465.7 Ų65.712%0.11832%0.321CS..THydrogen-bonded Turntrans-72.7-27.7-177.1-63.9178.466.500111.7R223 H228 F270 R274R223-M272 HydrophobicContact CB-CG 4.2Å; R223-M272 HydrophobicContact CB-SD 4.47Å; R223-M272 WeakPolarHBondContact O-CB 3.19Å; R223-M272 PolarHBondContact O-N 2.96Å; H228-M272 HydrophobicContact CB-CB 4.08Å; H228-M272 HydrophobicContact CB-CE 4.38Å; H228-M272 VanDerWaalsContact CD2-CE 3.44Å; H228-M272 WeakPolarHBondContact CD2-CE 3.31Å; H228-M272 PolarHBondContact ND1-O 2.96Å; F270-M272 PolarHBondContact O-N 2.99Å; M272-R274 PolarHBondContact O-N 2.93Å
273D87.9Confident85.2Confident0 Ų068.5 Ų68.50%034%0.338CS..THydrogen-bonded Turntrans-74.8517661.6-46.3000114.2A224 K271 R275 Q276 R277 F282 R284A224-D273 HydrophobicContact CB-CB 3.86Å; K271-D273 VanDerWaalsContact C-N 3.29Å; K271-D273 WeakPolarHBondContact CB-OD1 3.04Å; D273-R275 PolarHBondContact O-N 3.19Å; D273-Q276 PolarHBondContact O-N 2.97Å; D273-R277 VanDerWaalsContact O-CG 3.32Å; D273-R277 WeakPolarHBondContact O-CG 3.4Å; D273-R277 PolarHBondContact O-N 3.41Å; D273-R277 IonicContact OD1-NH1 2.69Å; D273-R277 PolarHBondContact OD1-NH1 3.16Å; D273-R277 IonicContact OD2-CZ 2.94Å; D273-R277 IonicContact OD2-NH1 3.73Å; D273-R277 PolarHBondContact OD2-NH1 3.11Å; D273-F282 HydrophobicContact CB-CB 4.45Å; D273-F282 HydrophobicContact CB-CD1 3.46Å; D273-F282 VanDerWaalsContact CB-CD1 3.46Å; D273-F282 HydrophobicContact CB-CE1 3.88Å; D273-F282 HydrophobicContact CB-CG 4.12Å; D273-R284 VanDerWaalsContact CG-NH2 3.35Å; D273-R284 IonicContact OD1-CZ 2.91Å; D273-R284 IonicContact OD1-NE 2.8Å; D273-R284 PolarHBondContact OD1-NE 2.86Å; D273-R284 IonicContact OD1-NH2 3.96Å; D273-R284 PolarHBondContact OD1-NH2 2.93Å; D273-R284 IonicContact OD2-CZ 3.94Å; D273-R284 IonicContact OD2-NE 2.82Å; D273-R284 PolarHBondContact OD2-NE 2.9Å; D273-R284 IonicContact OD2-NH2 3.65Å; D273-R284 PolarHBondContact OD2-NH2 3.4Å
274R83.7Confident85Confident148 Ų14870.3 Ų70.356%0.55835%0.345SS*.Hα-helixtrans-54.8-56.4-176.1-176.8-175.6-66.3-139.4-1.1112.3K271 M272 Q276 R277 D278K271-R274 PolarHBondContact O-N 2.84Å; M272-R274 PolarHBondContact O-N 2.93Å; R274-Q276 VanDerWaalsContact C-N 3.34Å; R274-Q276 PolarHBondContact O-N 2.68Å; R274-R277 PolarHBondContact O-N 2.85Å; R274-D278 PolarHBondContact O-N 2.74Å
275R78.8Confident85.1Confident109 Ų10969.3 Ų69.341%0.41134%0.34SS..Hα-helixtrans-64.2-39.9-179.6-61.4-177.3-172.7-135.1-3.6111.8G146 V253 D273 R277 D278 E279G146-R275 PolarHBondContact O-NE 3.01Å; G146-R275 PolarHBondContact O-NH2 3.36Å; V253-R275 HydrophobicContact CG1-CB 4.36Å; D273-R275 PolarHBondContact O-N 3.19Å; R275-R277 VanDerWaalsContact C-N 3.3Å; R275-R277 PolarHBondContact O-N 2.93Å; R275-D278 WeakPolarHBondContact O-CA 3.49Å; R275-D278 WeakPolarHBondContact O-CB 3.29Å; R275-D278 PolarHBondContact O-N 2.6Å; R275-E279 PolarHBondContact O-N 2.8Å
276Q84.5Confident85.3Confident4 Ų467.7 Ų67.72%0.01934%0.335CS..Hα-helixtrans-67.5-30.9-178.5-63.7161.7-47.200112.4H228 N231 N232 V253 D273 R274 E279 G280 N281 F282H228-Q276 PolarHBondContact ND1-NE2 3.18Å; H228-Q276 PolarHBondContact ND1-OE1 2.95Å; H228-Q276 PolarHBondContact O-NE2 3.17Å; N231-Q276 PolarHBondContact ND2-NE2 2.94Å; N232-Q276 PolarHBondContact OD1-NE2 3.25Å; V253-Q276 HydrophobicContact CG1-CG 4.43Å; D273-Q276 PolarHBondContact O-N 2.97Å; R274-Q276 VanDerWaalsContact C-N 3.34Å; R274-Q276 PolarHBondContact O-N 2.68Å; Q276-E279 PolarHBondContact O-N 3.12Å; Q276-G280 PolarHBondContact O-N 3.19Å; Q276-N281 PolarHBondContact O-N 2.92Å; Q276-N281 PolarHBondContact O-OD1 2.94Å; Q276-F282 HydrophobicContact CB-CB 4.37Å; Q276-F282 HydrophobicContact CB-CD2 3.34Å; Q276-F282 HydrophobicContact CB-CE2 3.6Å; Q276-F282 HydrophobicContact CB-CG 3.88Å; Q276-F282 HydrophobicContact CB-CZ 4.35Å; Q276-F282 HydrophobicContact CG-CD2 4.22Å; Q276-F282 HydrophobicContact CG-CE2 3.97Å
277R84.2Confident85.8Confident74 Ų7463.6 Ų63.628%0.27931%0.313SS..Hα-helixtrans-67.8-37.6169.3-69.7-163.1-45.2-76.6-16.8112D273 R274 R275 E279 G280 F282D273-R277 VanDerWaalsContact O-CG 3.32Å; D273-R277 WeakPolarHBondContact O-CG 3.4Å; D273-R277 PolarHBondContact O-N 3.41Å; D273-R277 IonicContact OD1-NH1 2.69Å; D273-R277 PolarHBondContact OD1-NH1 3.16Å; D273-R277 IonicContact OD2-CZ 2.94Å; D273-R277 IonicContact OD2-NH1 3.73Å; D273-R277 PolarHBondContact OD2-NH1 3.11Å; R274-R277 PolarHBondContact O-N 2.85Å; R275-R277 VanDerWaalsContact C-N 3.3Å; R275-R277 PolarHBondContact O-N 2.93Å; R277-E279 VanDerWaalsContact C-N 3.27Å; R277-E279 PolarHBondContact O-N 3.34Å; R277-G280 PolarHBondContact O-N 2.85Å; R277-F282 HydrophobicContact CB-CB 4.46Å; R277-F282 HydrophobicContact CG-CB 3.58Å; R277-F282 WeakPolarHBondContact CG-O 3.49Å
278D82.3Confident86.7Confident124 Ų12461.8 Ų61.866%0.66330%0.295SS*.Hα-helixtrans-65.1-33.2177.1-55.9-26.5000110.9R274 R275 G280R274-D278 PolarHBondContact O-N 2.74Å; R275-D278 WeakPolarHBondContact O-CA 3.49Å; R275-D278 WeakPolarHBondContact O-CB 3.29Å; R275-D278 PolarHBondContact O-N 2.6Å; D278-G280 VanDerWaalsContact C-N 3.26Å; D278-G280 PolarHBondContact O-N 2.92Å
279E83.1Confident87.6Confident99 Ų9960.7 Ų60.746%0.46329%0.288SS..THydrogen-bonded Turntrans-77.4-4171.6-62.3-58.6150.700114.9V253 K254 R275 Q276 R277 N281V253-E279 HydrophobicContact CB-CG 3.84Å; V253-E279 HydrophobicContact CG1-CB 4.42Å; V253-E279 HydrophobicContact CG1-CG 3.36Å; K254-E279 PolarHBondContact NZ-O 2.96Å; K254-E279 VanDerWaalsContact NZ-O 3.15Å; R275-E279 PolarHBondContact O-N 2.8Å; Q276-E279 PolarHBondContact O-N 3.12Å; R277-E279 VanDerWaalsContact C-N 3.27Å; R277-E279 PolarHBondContact O-N 3.34Å; E279-N281 PolarHBondContact O-N 3.4Å
280G86.8Confident88.7Confident58 Ų5851.4 Ų51.460%0.59826%0.256SS*.THydrogen-bonded Turntrans77.514.7171.900000116.5Q276 R277 D278Q276-G280 PolarHBondContact O-N 3.19Å; R277-G280 PolarHBondContact O-N 2.85Å; D278-G280 VanDerWaalsContact C-N 3.26Å; D278-G280 PolarHBondContact O-N 2.92Å
281N92.3Very high89.6Confident4 Ų447.6 Ų47.62%0.02124%0.24CC..  trans-103-4.217676.2-39000114.7N231 K254 S259 F260 Q276 E279N231-N281 PolarHBondContact OD1-ND2 2.91Å; K254-N281 HydrophobicContact CD-CB 4.28Å; K254-N281 HydrophobicContact CG-CB 4.02Å; S259-N281 CarbonylContact C-O 3.42Å; S259-N281 WeakPolarHBondContact CA-O 3.34Å; F260-N281 PolarHBondContact N-O 2.82Å; Q276-N281 PolarHBondContact O-N 2.92Å; Q276-N281 PolarHBondContact O-OD1 2.94Å; E279-N281 PolarHBondContact O-N 3.4Å
282F94.7Very high90.3Very high8 Ų845.3 Ų45.34%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-114.1134.5174-84.2-117.7000112N231 F260 V262 D273 Q276 R277N231-F282 HydrophobicContact CB-CE2 3.88Å; N231-F282 HydrophobicContact CB-CZ 4.01Å; F260-F282 HydrophobicContact CB-CD1 3.69Å; F260-F282 HydrophobicContact CB-CD2 3.84Å; F260-F282 HydrophobicContact CB-CE1 3.73Å; F260-F282 HydrophobicContact CB-CE2 3.88Å; F260-F282 HydrophobicContact CB-CG 3.77Å; F260-F282 HydrophobicContact CB-CZ 3.83Å; F260-F282 HydrophobicContact CD1-CE1 4.33Å; F260-F282 HydrophobicContact CD1-CE2 4.33Å; F260-F282 AromaticContact CD1-CZ 3.92Å; F260-F282 HydrophobicContact CD1-CZ 3.92Å; F260-F282 AromaticContact CD2-CD2 3.65Å; F260-F282 HydrophobicContact CD2-CD2 3.65Å; F260-F282 HydrophobicContact CD2-CE1 4.42Å; F260-F282 AromaticContact CD2-CE2 3.18Å; F260-F282 HydrophobicContact CD2-CE2 3.18Å; F260-F282 HydrophobicContact CD2-CG 4.45Å; F260-F282 AromaticContact CD2-CZ 3.64Å; F260-F282 HydrophobicContact CD2-CZ 3.64Å; F260-F282 HydrophobicContact CE1-CZ 4.45Å; F260-F282 AromaticContact CE2-CE2 3.77Å; F260-F282 HydrophobicContact CE2-CE2 3.77Å; F260-F282 HydrophobicContact CE2-CZ 4.19Å; F260-F282 HydrophobicContact CG-CD1 4.31Å; F260-F282 AromaticContact CG-CD2 3.97Å; F260-F282 HydrophobicContact CG-CD2 3.97Å; F260-F282 AromaticContact CG-CE1 3.91Å; F260-F282 HydrophobicContact CG-CE1 3.91Å; F260-F282 AromaticContact CG-CE2 3.54Å; F260-F282 HydrophobicContact CG-CE2 3.54Å; F260-F282 HydrophobicContact CG-CG 4.36Å; F260-F282 AromaticContact CG-CZ 3.5Å; F260-F282 HydrophobicContact CG-CZ 3.5Å; F260-F282 CarbonylContact O-C 2.93Å; F260-F282 WeakPolarHBondContact O-CA 3.37Å; V262-F282 HydrophobicContact CG1-CD1 4.04Å; V262-F282 HydrophobicContact CG1-CE1 4.16Å; D273-F282 HydrophobicContact CB-CB 4.45Å; D273-F282 HydrophobicContact CB-CD1 3.46Å; D273-F282 VanDerWaalsContact CB-CD1 3.46Å; D273-F282 HydrophobicContact CB-CE1 3.88Å; D273-F282 HydrophobicContact CB-CG 4.12Å; Q276-F282 HydrophobicContact CB-CB 4.37Å; Q276-F282 HydrophobicContact CB-CD2 3.34Å; Q276-F282 HydrophobicContact CB-CE2 3.6Å; Q276-F282 HydrophobicContact CB-CG 3.88Å; Q276-F282 HydrophobicContact CB-CZ 4.35Å; Q276-F282 HydrophobicContact CG-CD2 4.22Å; Q276-F282 HydrophobicContact CG-CE2 3.97Å; R277-F282 HydrophobicContact CB-CB 4.46Å; R277-F282 HydrophobicContact CG-CB 3.58Å; R277-F282 WeakPolarHBondContact CG-O 3.49Å
283T95.2Very high91Very high60 Ų6044.9 Ų44.937%0.36823%0.229SC..EExtended strand (participates in β ladder)trans-119.4119.7171.2-65.10000108.8F260 I261 V262 I285F260-T283 PolarHBondContact O-N 3.34Å; I261-T283 CarbonylContact C-O 3.46Å; I261-T283 VanDerWaalsContact CA-O 3.3Å; I261-T283 WeakPolarHBondContact CA-O 3.35Å; V262-T283 PolarHBondContact N-O 2.76Å; T283-I285 HydrophobicContact CG2-CG1 4.36Å
284R94.3Very high91.5Very high37 Ų3745 Ų4514%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-104122.3178.7176.9172.7-74.7-90.110.4110.9G222 A224 V262 D273G222-R284 PolarHBondContact O-NH1 3.04Å; G222-R284 PolarHBondContact O-NH2 3.17Å; G222-R284 VanDerWaalsContact O-NH2 3.13Å; A224-R284 VanDerWaalsContact CB-NH2 3.26Å; V262-R284 HydrophobicContact CG2-CB 3.63Å; V262-R284 HydrophobicContact CG2-CG 3.88Å; V262-R284 WeakPolarHBondContact O-CA 3.45Å; D273-R284 VanDerWaalsContact CG-NH2 3.35Å; D273-R284 IonicContact OD1-CZ 2.91Å; D273-R284 IonicContact OD1-NE 2.8Å; D273-R284 PolarHBondContact OD1-NE 2.86Å; D273-R284 IonicContact OD1-NH2 3.96Å; D273-R284 PolarHBondContact OD1-NH2 2.93Å; D273-R284 IonicContact OD2-CZ 3.94Å; D273-R284 IonicContact OD2-NE 2.82Å; D273-R284 PolarHBondContact OD2-NE 2.9Å; D273-R284 IonicContact OD2-NH2 3.65Å; D273-R284 PolarHBondContact OD2-NH2 3.4Å
285I95.2Very high92.1Very high4 Ų438.9 Ų38.92%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-107.7120.7177-56.5179.6000108.6Y71 I261 V262 V263 E264 T283 I287 V297Y71-I285 HydrophobicContact CD2-CG2 4.23Å; Y71-I285 HydrophobicContact CE2-CG2 3.46Å; Y71-I285 VanDerWaalsContact CE2-CG2 3.46Å; I261-I285 HydrophobicContact CG2-CD1 3.87Å; I261-I285 HydrophobicContact CG2-CG1 4.29Å; V262-I285 PolarHBondContact O-N 3.37Å; V263-I285 WeakPolarHBondContact CA-O 3.25Å; E264-I285 PolarHBondContact N-O 3.3Å; E264-I285 VanDerWaalsContact N-O 3.11Å; T283-I285 HydrophobicContact CG2-CG1 4.36Å; I285-I287 HydrophobicContact CG2-CB 4.1Å; I285-I287 HydrophobicContact CG2-CG2 3.62Å; I285-V297 HydrophobicContact CD1-CG1 3.86Å; I285-V297 HydrophobicContact CD1-CG2 3.93Å
286T93.6Very high93Very high64 Ų6439.6 Ų39.639%0.39321%0.213SC..EExtended strand (participates in β ladder)trans-98.694.7177.4-530000110.4E264 L265E264-T286 CarbonylContact O-C 3.46Å; E264-T286 WeakPolarHBondContact O-CA 3.26Å; L265-T286 WeakPolarHBondContact O-CG2 2.96Å
287I94.2Very high93.7Very high13 Ų1339.5 Ų39.57%0.06721%0.213CC..SBendtrans-154.5157.1-172.6-163.9169000110.9Y71 D72 V263 E264 I285 D291 L292Y71-I287 HydrophobicContact CD2-CD1 3.97Å; Y71-I287 HydrophobicContact CE2-CD1 4.26Å; D72-I287 HydrophobicContact CB-CD1 3.91Å; V263-I287 HydrophobicContact CG1-CG2 3.94Å; E264-I287 PolarHBondContact O-N 3.14Å; E264-I287 VanDerWaalsContact O-N 3.08Å; I285-I287 HydrophobicContact CG2-CB 4.1Å; I285-I287 HydrophobicContact CG2-CG2 3.62Å; I287-D291 HydrophobicContact CD1-CB 4.49Å; I287-D291 HydrophobicContact CG1-CB 4.45Å; I287-L292 HydrophobicContact CD1-CB 4.24Å; I287-L292 HydrophobicContact CD1-CD1 4.36Å; I287-L292 HydrophobicContact CG2-CB 3.97Å; I287-L292 HydrophobicContact CG2-CD1 4.16Å; I287-L292 HydrophobicContact CG2-CD2 4.12Å; I287-L292 HydrophobicContact CG2-CG 4.3Å
288N94.8Very high94.2Very high62 Ų6239.1 Ų39.133%0.33222%0.22SC..  trans-73.8133.2165.3-173.2-5.6000109.8L265 A290 D291 L292L265-N288 HydrophobicContact CD1-CB 3.83Å; N288-A290 PolarHBondContact O-N 3.38Å; N288-A290 PolarHBondContact OD1-N 2.93Å; N288-A290 VanDerWaalsContact OD1-N 3.15Å; N288-D291 WeakPolarHBondContact CB-OD2 3.33Å; N288-D291 PolarHBondContact O-N 2.72Å; N288-L292 PolarHBondContact O-N 2.98Å
289I96.7Very high94.7Very high15 Ų1535.1 Ų35.18%0.07720%0.198CC..G310 helixtrans-60.1-30.1178.7-59.7168.1000110.7N77 F219 V263 D291 L292 L314 L321 C325N77-I289 PolarHBondContact ND2-O 3.24Å; F219-I289 HydrophobicContact CB-CD1 4.26Å; F219-I289 HydrophobicContact CD1-CD1 4.01Å; F219-I289 HydrophobicContact CD1-CG1 4.13Å; F219-I289 HydrophobicContact CD1-CG2 4.2Å; F219-I289 HydrophobicContact CE1-CG2 4.18Å; V263-I289 HydrophobicContact CG1-CG1 4.12Å; I289-D291 PolarHBondContact O-N 2.83Å; I289-D291 VanDerWaalsContact O-N 3.15Å; I289-L292 PolarHBondContact O-N 3.14Å; I289-L314 HydrophobicContact CD1-CD1 4.11Å; I289-L321 HydrophobicContact CB-CB 4.46Å; I289-L321 HydrophobicContact CG2-CB 3.87Å; I289-C325 HydrophobicContact CG2-CB 4.31Å
290A96.2Very high95.4Very high12 Ų1230.5 Ų30.510%0.09918%0.177CC..G310 helixtrans-59.9-24.6175.400000113.8G75 I76 N77 N288 L321G75-A290 CarbonylContact C-O 3.51Å; G75-A290 WeakPolarHBondContact CA-O 3.39Å; I76-A290 PolarHBondContact N-O 2.77Å; I76-A290 VanDerWaalsContact N-O 3.16Å; N77-A290 PolarHBondContact N-O 3.16Å; N288-A290 PolarHBondContact O-N 3.38Å; N288-A290 PolarHBondContact OD1-N 2.93Å; N288-A290 VanDerWaalsContact OD1-N 3.15Å; A290-L321 HydrophobicContact CB-CD1 4.16Å; A290-L321 HydrophobicContact CB-CD2 4.11Å
291D96.6Very high95.8Very high33 Ų3332.3 Ų32.318%0.17617%0.17CC..G310 helixtrans-111.32-172-52.7-43.5000112.7Y71 V73 T74 G75 I287 N288 I289Y71-D291 VanDerWaalsContact O-O 3.14Å; V73-D291 CarbonylContact C-O 3.13Å; V73-D291 PolarHBondContact N-O 3.38Å; V73-D291 CarbonylContact O-C 3.59Å; V73-D291 VanDerWaalsContact O-CA 3.3Å; V73-D291 WeakPolarHBondContact O-CA 3.45Å; T74-D291 WeakPolarHBondContact CA-OD1 3.32Å; G75-D291 PolarHBondContact N-OD1 3.22Å; I287-D291 HydrophobicContact CD1-CB 4.49Å; I287-D291 HydrophobicContact CG1-CB 4.45Å; N288-D291 WeakPolarHBondContact CB-OD2 3.33Å; N288-D291 PolarHBondContact O-N 2.72Å; I289-D291 PolarHBondContact O-N 2.83Å; I289-D291 VanDerWaalsContact O-N 3.15Å
292L97.9Very high95.9Very high0 Ų039.2 Ų39.20%020%0.202CC..BIsolated β-bridgetrans-89.9111.8-174174.657.5000112.5Y71 N77 F219 V263 I287 N288 I289 L294 V297 C325Y71-L292 HydrophobicContact CD2-CD1 3.92Å; Y71-L292 HydrophobicContact CG-CD1 4.35Å; N77-L292 PolarHBondContact ND2-O 3.31Å; F219-L292 HydrophobicContact CE1-CD2 4.45Å; V263-L292 HydrophobicContact CB-CD2 4.48Å; V263-L292 HydrophobicContact CG1-CD2 3.86Å; V263-L292 HydrophobicContact CG2-CD2 3.77Å; I287-L292 HydrophobicContact CD1-CB 4.24Å; I287-L292 HydrophobicContact CD1-CD1 4.36Å; I287-L292 HydrophobicContact CG2-CB 3.97Å; I287-L292 HydrophobicContact CG2-CD1 4.16Å; I287-L292 HydrophobicContact CG2-CD2 4.12Å; I287-L292 HydrophobicContact CG2-CG 4.3Å; N288-L292 PolarHBondContact O-N 2.98Å; I289-L292 PolarHBondContact O-N 3.14Å; L292-L294 HydrophobicContact CD2-CD2 4Å; L292-L294 HydrophobicContact CD2-CG 4.49Å; L292-L294 HydrophobicContact CG-CD2 4.24Å; L292-L294 HydrophobicContact CG-CG 4.41Å; L292-V297 HydrophobicContact CD1-CG2 3.99Å; L292-C325 PolarHBondContact O-SG 3.03Å
293D98.1Very high95.9Very high15 Ų1539.5 Ų39.58%0.0820%0.204CC..  trans-92.198.5168.6-172.8-7.4000110.9Y71 V73 I76 A295 R296Y71-D293 VanDerWaalsContact CB-O 3.26Å; Y71-D293 WeakPolarHBondContact CB-O 3.23Å; Y71-D293 PolarHBondContact O-N 2.86Å; V73-D293 HydrophobicContact CB-CB 4.26Å; V73-D293 HydrophobicContact CG2-CB 3.79Å; I76-D293 HydrophobicContact CD1-CB 3.75Å; I76-D293 HydrophobicContact CG2-CB 4.47Å; D293-A295 PolarHBondContact O-N 3.41Å; D293-A295 VanDerWaalsContact OD1-CB 3.32Å; D293-A295 WeakPolarHBondContact OD1-CB 3.14Å; D293-A295 PolarHBondContact OD1-N 2.87Å; D293-R296 HydrophobicContact CB-CB 4.38Å; D293-R296 HydrophobicContact CB-CG 4.35Å; D293-R296 PolarHBondContact O-N 3.08Å; D293-R296 VanDerWaalsContact O-N 3.12Å; D293-R296 WeakPolarHBondContact OD2-CD 3.18Å; D293-R296 VanDerWaalsContact OD2-CG 3.31Å; D293-R296 WeakPolarHBondContact OD2-CG 3.26Å; D293-R296 IonicContact OD2-CZ 2.74Å; D293-R296 IonicContact OD2-NE 3.47Å; D293-R296 PolarHBondContact OD2-NE 3.21Å
294L98.4Very high95.8Very high1 Ų144.5 Ų44.51%0.00522%0.22CC..G310 helixtrans-61.3-29.3177.7-74.2175000113L217 F219 L292 R296 V297 I300 C325 L326 A329 M333L217-L294 HydrophobicContact CD1-CD2 4.45Å; L217-L294 HydrophobicContact CD2-CD1 3.7Å; L217-L294 HydrophobicContact CD2-CD2 3.91Å; L217-L294 HydrophobicContact CD2-CG 4.48Å; F219-L294 HydrophobicContact CZ-CD1 4.12Å; L292-L294 HydrophobicContact CD2-CD2 4Å; L292-L294 HydrophobicContact CD2-CG 4.49Å; L292-L294 HydrophobicContact CG-CD2 4.24Å; L292-L294 HydrophobicContact CG-CG 4.41Å; L294-R296 PolarHBondContact O-N 3.08Å; L294-R296 VanDerWaalsContact O-N 3.14Å; L294-V297 HydrophobicContact CD2-CG2 4.34Å; L294-V297 PolarHBondContact O-N 3.05Å; L294-V297 VanDerWaalsContact O-N 3.14Å; L294-I300 HydrophobicContact CD2-CG1 4.46Å; L294-I300 WeakPolarHBondContact O-CB 3.41Å; L294-I300 WeakPolarHBondContact O-CG2 3.42Å; L294-C325 VanDerWaalsContact CG-SG 3.57Å; L294-L326 HydrophobicContact CD1-CD2 4.03Å; L294-A329 HydrophobicContact CB-CB 3.73Å; L294-A329 HydrophobicContact CD1-CB 4.39Å; L294-M333 HydrophobicContact CD1-SD 4.35Å
295A97.3Very high95.9Very high21 Ų2145.9 Ų45.917%0.17423%0.225CC..G310 helixtrans-66.3-15.2178.400000112.7D293 Q301 V332D293-A295 PolarHBondContact O-N 3.41Å; D293-A295 VanDerWaalsContact OD1-CB 3.32Å; D293-A295 WeakPolarHBondContact OD1-CB 3.14Å; D293-A295 PolarHBondContact OD1-N 2.87Å; A295-Q301 WeakPolarHBondContact O-CG 3.47Å; A295-Q301 PolarHBondContact O-NE2 3.01Å; A295-V332 HydrophobicContact CB-CB 4.17Å; A295-V332 HydrophobicContact CB-CG1 4.29Å; A295-V332 HydrophobicContact CB-CG2 3.88Å
296R97.6Very high96Very high123 Ų12347.7 Ų47.746%0.46424%0.238SC..G310 helixtrans-1086.5178.2-63.3-178.5-169.8-154.7-5.4113.6A70 D293 L294 P298A70-R296 WeakPolarHBondContact O-CD 3.25Å; D293-R296 HydrophobicContact CB-CB 4.38Å; D293-R296 HydrophobicContact CB-CG 4.35Å; D293-R296 PolarHBondContact O-N 3.08Å; D293-R296 VanDerWaalsContact O-N 3.12Å; D293-R296 WeakPolarHBondContact OD2-CD 3.18Å; D293-R296 VanDerWaalsContact OD2-CG 3.31Å; D293-R296 WeakPolarHBondContact OD2-CG 3.26Å; D293-R296 IonicContact OD2-CZ 2.74Å; D293-R296 IonicContact OD2-NE 3.47Å; D293-R296 PolarHBondContact OD2-NE 3.21Å; L294-R296 PolarHBondContact O-N 3.08Å; L294-R296 VanDerWaalsContact O-N 3.14Å; R296-P298 WeakPolarHBondContact O-CD 3.33Å
297V97.5Very high96.3Very high3 Ų344.7 Ų44.72%0.01822%0.219CC..  trans-80.5120.6171.8175.10000108.1Y71 I261 I285 L292 L294 L299 I300 Q301Y71-V297 HydrophobicContact CD1-CG2 3.99Å; Y71-V297 HydrophobicContact CG-CG2 3.9Å; I261-V297 HydrophobicContact CD1-CG1 4.3Å; I285-V297 HydrophobicContact CD1-CG1 3.86Å; I285-V297 HydrophobicContact CD1-CG2 3.93Å; L292-V297 HydrophobicContact CD1-CG2 3.99Å; L294-V297 HydrophobicContact CD2-CG2 4.34Å; L294-V297 PolarHBondContact O-N 3.05Å; L294-V297 VanDerWaalsContact O-N 3.14Å; V297-L299 VanDerWaalsContact C-N 3.32Å; V297-L299 HydrophobicContact CG1-CB 4.47Å; V297-L299 PolarHBondContact O-N 3.03Å; V297-I300 HydrophobicContact CB-CB 4.13Å; V297-I300 HydrophobicContact CB-CG1 3.85Å; V297-I300 HydrophobicContact CG1-CB 4.49Å; V297-I300 HydrophobicContact CG1-CG1 3.96Å; V297-I300 WeakPolarHBondContact O-CA 3.34Å; V297-I300 WeakPolarHBondContact O-CB 3.44Å; V297-I300 PolarHBondContact O-N 3.14Å; V297-Q301 PolarHBondContact O-N 3.01Å; V297-Q301 VanDerWaalsContact O-N 3.1Å
298P94.7Very high96.5Very high65 Ų6544.4 Ų44.442%0.42222%0.218SC..Hα-helixtrans-55-45-175-28.935.6000113.5R296 I300 Q301 E302R296-P298 WeakPolarHBondContact O-CD 3.33Å; P298-I300 PolarHBondContact O-N 3.23Å; P298-I300 VanDerWaalsContact O-N 3.17Å; P298-Q301 PolarHBondContact O-N 3.31Å; P298-Q301 VanDerWaalsContact O-N 3.08Å; P298-E302 WeakPolarHBondContact O-CB 3.38Å; P298-E302 WeakPolarHBondContact O-CG 3.37Å; P298-E302 PolarHBondContact O-N 3.34Å
299L94.6Very high96.7Very high41 Ų4141.5 Ų41.522%0.21520%0.202CC..Hα-helixtrans-62.4-24.9177.7-176.758.3000113L215 I261 V297 N303L215-L299 HydrophobicContact CD1-CD2 4.25Å; I261-L299 HydrophobicContact CD1-CB 4.23Å; I261-L299 HydrophobicContact CD1-CD2 3.91Å; I261-L299 HydrophobicContact CD1-CG 4.1Å; I261-L299 HydrophobicContact CG1-CD2 3.62Å; I261-L299 HydrophobicContact CG1-CG 4.37Å; V297-L299 VanDerWaalsContact C-N 3.32Å; V297-L299 HydrophobicContact CG1-CB 4.47Å; V297-L299 PolarHBondContact O-N 3.03Å; L299-N303 WeakPolarHBondContact O-CB 3.04Å; L299-N303 PolarHBondContact O-N 3.48Å
300I97.2Very high96.8Very high1 Ų140.8 Ų40.81%0.00520%0.198CC..Hα-helixtrans-78.3-44.1173.6-65.5-73.2000110.3L215 I261 L294 V297 P298 E302 N303 L307 V332 M333L215-I300 HydrophobicContact CD2-CD1 3.77Å; I261-I300 HydrophobicContact CD1-CD1 3.72Å; I261-I300 HydrophobicContact CD1-CG1 3.85Å; L294-I300 HydrophobicContact CD2-CG1 4.46Å; L294-I300 WeakPolarHBondContact O-CB 3.41Å; L294-I300 WeakPolarHBondContact O-CG2 3.42Å; V297-I300 HydrophobicContact CB-CB 4.13Å; V297-I300 HydrophobicContact CB-CG1 3.85Å; V297-I300 HydrophobicContact CG1-CB 4.49Å; V297-I300 HydrophobicContact CG1-CG1 3.96Å; V297-I300 WeakPolarHBondContact O-CA 3.34Å; V297-I300 WeakPolarHBondContact O-CB 3.44Å; V297-I300 PolarHBondContact O-N 3.14Å; P298-I300 PolarHBondContact O-N 3.23Å; P298-I300 VanDerWaalsContact O-N 3.17Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.28Å; I300-N303 PolarHBondContact O-N 2.95Å; I300-L307 HydrophobicContact CD1-CD1 3.36Å; I300-V332 HydrophobicContact CG2-CG1 4.28Å; I300-M333 HydrophobicContact CG2-CB 3.82Å
301Q95.5Very high96.8Very high96 Ų9640.2 Ų40.245%0.44919%0.194SC..Hα-helixtrans-62.2-41-179.2-66.1179.1-35.400112.6A295 V297 P298 V332A295-Q301 WeakPolarHBondContact O-CG 3.47Å; A295-Q301 PolarHBondContact O-NE2 3.01Å; V297-Q301 PolarHBondContact O-N 3.01Å; V297-Q301 VanDerWaalsContact O-N 3.1Å; P298-Q301 PolarHBondContact O-N 3.31Å; P298-Q301 VanDerWaalsContact O-N 3.08Å; Q301-V332 HydrophobicContact CG-CG1 4.21Å
302E94.6Very high96.8Very high150 Ų15039.8 Ų39.870%0.70119%0.19SC*.SBendtrans-83.1-16.9-176.5-65.9168.4-166.300112.8P298 I300P298-E302 WeakPolarHBondContact O-CB 3.38Å; P298-E302 WeakPolarHBondContact O-CG 3.37Å; P298-E302 PolarHBondContact O-N 3.34Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.28Å
303N93.4Very high96.1Very high14 Ų1442.5 Ų42.58%0.07520%0.203CC..  trans-93.5122.5-174.7178.284.3000112.6L215 L299 I300 R305L215-N303 HydrophobicContact CD2-CB 4.1Å; L299-N303 WeakPolarHBondContact O-CB 3.04Å; L299-N303 PolarHBondContact O-N 3.48Å; I300-N303 PolarHBondContact O-N 2.95Å; N303-R305 PolarHBondContact ND2-N 3.11Å; N303-R305 PolarHBondContact ND2-O 3.44Å; N303-R305 VanDerWaalsContact OD1-CZ 3.3Å; N303-R305 PolarHBondContact OD1-NE 3.3Å; N303-R305 PolarHBondContact OD1-NH2 3.47Å
304K93.5Very high95.4Very high165 Ų16542.2 Ų42.272%0.71720%0.201SC*.  trans-98.3-9.2173.2-57-53.9-179.2-163.20114.4
305R96.3Very high94.8Very high65 Ų6545 Ų4525%0.24522%0.221CC..SBendtrans-64.6152.6179-68174-62.6171.9-0.7111.5G213 E257 S259 N303 L307G213-R305 WeakPolarHBondContact O-CB 3.13Å; G213-R305 VanDerWaalsContact O-CD 3.25Å; G213-R305 WeakPolarHBondContact O-CD 3.44Å; G213-R305 WeakPolarHBondContact O-CG 3.49Å; E257-R305 PolarHBondContact O-NH1 3.37Å; S259-R305 PolarHBondContact OG-NH1 3.5Å; S259-R305 PolarHBondContact OG-NH2 3.17Å; N303-R305 PolarHBondContact ND2-N 3.11Å; N303-R305 PolarHBondContact ND2-O 3.44Å; N303-R305 VanDerWaalsContact OD1-CZ 3.3Å; N303-R305 PolarHBondContact OD1-NE 3.3Å; N303-R305 PolarHBondContact OD1-NH2 3.47Å; R305-L307 PolarHBondContact O-N 3Å
306P97.9Very high94.4Very high43 Ų4344 Ų4428%0.27921%0.212SC..PPolyproline II helixtrans-52.3136.1171.7-23.833.9000111.7N214 L215 S336N214-P306 WeakPolarHBondContact OD1-CB 3.37Å; L215-P306 PolarHBondContact N-O 3Å; P306-S336 WeakPolarHBondContact CB-OG 3.43Å
307L98.5Very high94.3Very high1 Ų139.8 Ų39.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-102.6126.3175.3-175.8150.3000110L215 L217 I300 R305 A309 L326 M333 N334 L335 S336 G337L215-L307 HydrophobicContact CD2-CD1 4.06Å; L215-L307 HydrophobicContact CG-CD1 4.35Å; L215-L307 CarbonylContact O-C 3.58Å; L215-L307 VanDerWaalsContact O-CA 3.28Å; L215-L307 WeakPolarHBondContact O-CA 3.28Å; L217-L307 HydrophobicContact CB-CD1 4.41Å; L217-L307 HydrophobicContact CB-CD2 4.23Å; L217-L307 HydrophobicContact CB-CG 4.43Å; L217-L307 HydrophobicContact CD2-CD1 4.45Å; L217-L307 HydrophobicContact CD2-CD2 4.44Å; I300-L307 HydrophobicContact CD1-CD1 3.36Å; R305-L307 PolarHBondContact O-N 3Å; L307-A309 HydrophobicContact CD2-CB 4.2Å; L307-L326 HydrophobicContact CD2-CD2 4.35Å; L307-M333 HydrophobicContact CD1-CB 4.36Å; L307-M333 HydrophobicContact CD1-SD 4.01Å; L307-M333 HydrophobicContact CD2-SD 4.39Å; L307-N334 PolarHBondContact N-O 3.02Å; L307-L335 HydrophobicContact CD2-CD1 3.66Å; L307-S336 PolarHBondContact O-N 3.21Å; L307-G337 PolarHBondContact O-N 3.02Å
308I98.7Very high94.2Very high7 Ų741 Ų414%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-111.7112.5174.2-50.3-54.8000108.6L209 N214 L215 Y216 L217 V310 G337L209-I308 HydrophobicContact CB-CG2 4.21Å; L209-I308 HydrophobicContact CD2-CD1 4.15Å; N214-I308 HydrophobicContact CB-CG1 4.35Å; L215-I308 PolarHBondContact O-N 3.45Å; Y216-I308 WeakPolarHBondContact CA-O 3.37Å; Y216-I308 HydrophobicContact CD1-CB 3.83Å; Y216-I308 HydrophobicContact CD1-CG2 4.07Å; Y216-I308 HydrophobicContact CE1-CB 3.75Å; Y216-I308 HydrophobicContact CE1-CG1 4.16Å; Y216-I308 HydrophobicContact CE1-CG2 3.8Å; L217-I308 PolarHBondContact N-O 3.3Å; I308-V310 HydrophobicContact CG2-CG1 4.18Å; I308-G337 WeakPolarHBondContact CA-O 3.49Å
309A98.8Very high94.4Very high0 Ų037.9 Ų37.90%019%0.189CC..EExtended strand (participates in β ladder)trans-86.9129.6177.700000110.3L217 F219 L307 L326 L335 G337 I338 M339 F340L217-A309 CarbonylContact O-C 3.55Å; L217-A309 WeakPolarHBondContact O-CA 3.27Å; F219-A309 HydrophobicContact CE2-CB 4.37Å; L307-A309 HydrophobicContact CD2-CB 4.2Å; A309-L326 HydrophobicContact CB-CD1 3.79Å; A309-L326 HydrophobicContact CB-CD2 4.02Å; A309-L335 HydrophobicContact CB-CD1 4.49Å; A309-G337 PolarHBondContact N-O 3.29Å; A309-I338 HydrophobicContact CB-CG1 4.28Å; A309-I338 CarbonylContact O-C 3.31Å; A309-I338 VanDerWaalsContact O-CA 3.26Å; A309-I338 WeakPolarHBondContact O-CA 3.45Å; A309-M339 PolarHBondContact O-N 2.88Å; A309-F340 HydrophobicContact CB-CE1 4.01Å; A309-F340 HydrophobicContact CB-CZ 4.38Å
310V98.8Very high94.5Very high0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-128.2152.8-179.5-59.60000111L204 Y216 L217 E218 F219 L226 I230 I308 M339L204-V310 HydrophobicContact CD2-CG1 4.06Å; Y216-V310 HydrophobicContact CD1-CG1 4.23Å; L217-V310 PolarHBondContact O-N 3.44Å; E218-V310 CarbonylContact C-O 3.55Å; E218-V310 VanDerWaalsContact CA-O 3.27Å; E218-V310 WeakPolarHBondContact CA-O 3.42Å; E218-V310 HydrophobicContact CB-CG2 3.81Å; E218-V310 HydrophobicContact CG-CG2 4.11Å; F219-V310 PolarHBondContact N-O 2.98Å; L226-V310 HydrophobicContact CD2-CB 3.93Å; L226-V310 HydrophobicContact CD2-CG2 3.99Å; I230-V310 HydrophobicContact CD1-CG1 4.44Å; I230-V310 HydrophobicContact CD1-CG2 4.34Å; I308-V310 HydrophobicContact CG2-CG1 4.18Å; V310-M339 VanDerWaalsContact CA-O 3.29Å; V310-M339 WeakPolarHBondContact CA-O 3.41Å; V310-M339 HydrophobicContact CB-CE 4.27Å; V310-M339 HydrophobicContact CG1-CB 4.44Å; V310-M339 HydrophobicContact CG1-CE 4.42Å
311A98.1Very high94.6Very high0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-154.9145171.700000110.8F219 L314 M339 F340 A341F219-A311 HydrophobicContact CB-CB 4.31Å; A311-L314 HydrophobicContact CB-CB 3.93Å; A311-L314 HydrophobicContact CB-CD2 3.85Å; A311-L314 HydrophobicContact CB-CG 4.46Å; A311-M339 PolarHBondContact N-O 3.26Å; A311-F340 HydrophobicContact CB-CB 4.36Å; A311-F340 HydrophobicContact CB-CD1 3.51Å; A311-F340 HydrophobicContact CB-CE1 3.9Å; A311-F340 HydrophobicContact CB-CG 3.94Å; A311-A341 PolarHBondContact O-N 3.17Å
312K94.6Very high94.7Very high25 Ų2532.2 Ų32.211%0.10916%0.161CC..EExtended strand (participates in β ladder)trans-124.5119.2175.2-179.7-178.1-178.2-176.90110.9H193 N197 L200 L226 L314H193-K312 PolarHBondContact O-NZ 2.97Å; N197-K312 WeakPolarHBondContact OD1-CD 3.3Å; N197-K312 WeakPolarHBondContact OD1-CE 3.47Å; N197-K312 PolarHBondContact OD1-NZ 3.06Å; L200-K312 HydrophobicContact CD1-CB 4.07Å; L200-K312 HydrophobicContact CD1-CD 3.79Å; L200-K312 HydrophobicContact CD1-CG 3.77Å; L226-K312 HydrophobicContact CD2-CB 4.32Å; K312-L314 VanDerWaalsContact C-N 3.3Å
313H84.3Confident94.9Very high57 Ų5725 Ų2526%0.26413%0.128SC..EExtended strand (participates in β ladder)trans57.343.8-177.5-57.3-59.5000112.6Q196 C315 A341 C343Q196-H313 PolarHBondContact NE2-NE2 3.02Å; H313-C315 PolarHBondContact O-N 3.09Å; H313-C315 PolarHBondContact O-SG 3.11Å; H313-A341 WeakPolarHBondContact CA-O 3.27Å; H313-A341 PolarHBondContact N-O 3.46Å; H313-C343 WeakPolarHBondContact CA-SG 3.44Å; H313-C343 PolarHBondContact O-SG 3.02Å
314L82.6Confident95.1Very high8 Ų825.6 Ų25.64%0.04213%0.129CC..EExtended strand (participates in β ladder)trans-73.8119.4172.8-164.460.8000108.2F219 I289 A311 K312 A318 T319 S322 F340 A341 C343F219-L314 HydrophobicContact CB-CD2 4.01Å; I289-L314 HydrophobicContact CD1-CD1 4.11Å; A311-L314 HydrophobicContact CB-CB 3.93Å; A311-L314 HydrophobicContact CB-CD2 3.85Å; A311-L314 HydrophobicContact CB-CG 4.46Å; K312-L314 VanDerWaalsContact C-N 3.3Å; L314-A318 HydrophobicContact CD1-CB 3.64Å; L314-A318 HydrophobicContact CG-CB 3.86Å; L314-T319 PolarHBondContact O-OG1 2.83Å; L314-T319 VanDerWaalsContact O-OG1 3.09Å; L314-S322 WeakPolarHBondContact CD2-OG 3.3Å; L314-F340 HydrophobicContact CD2-CE2 4.5Å; L314-A341 PolarHBondContact N-O 2.95Å; L314-C343 PolarHBondContact O-N 2.67Å
315C86.8Confident95.3Very high61 Ų6117.8 Ų17.841%0.41210%0.095SC..EExtended strand (participates in β ladder)trans-90.3124.5-166.1-67.80000112.6H313 D317 A318 C343 C344H313-C315 PolarHBondContact O-N 3.09Å; H313-C315 PolarHBondContact O-SG 3.11Å; C315-D317 PolarHBondContact O-N 2.98Å; C315-A318 VanDerWaalsContact O-CB 3.25Å; C315-A318 WeakPolarHBondContact O-CB 3.41Å; C315-A318 PolarHBondContact O-N 2.81Å; C315-C343 VanDerWaalsContact SG-SG 3.63Å; C315-C344 HydrophobicContact CB-CB 3.9Å
316G89.4Confident95.4Very high0 Ų014.7 Ų14.70%08%0.084CC..THydrogen-bonded Turntrans52.4-126.6166.200000112.8A318 T319 C343 R442G316-A318 PolarHBondContact O-N 2.8Å; G316-T319 WeakPolarHBondContact O-CB 3.19Å; G316-T319 PolarHBondContact O-N 3.41Å; G316-C343 PolarHBondContact N-O 3.11Å; G316-C343 VanDerWaalsContact N-O 3.08Å; G316-R442 PolarHBondContact O-NH2 2.81Å
317D95Very high95.4Very high34 Ų3416.5 Ų16.518%0.1829%0.087CC..Hα-helixtrans-56.3-23.5-179.9-69.4-11.1000113.9C315 T319 D320 L321 C348 T349 E352C315-D317 PolarHBondContact O-N 2.98Å; D317-T319 PolarHBondContact O-N 2.7Å; D317-D320 PolarHBondContact O-N 2.87Å; D317-D320 VanDerWaalsContact O-N 3.14Å; D317-L321 WeakPolarHBondContact O-CB 3.31Å; D317-L321 VanDerWaalsContact O-CG 3.22Å; D317-L321 WeakPolarHBondContact O-CG 3.37Å; D317-L321 PolarHBondContact O-N 3.19Å; D317-C348 VanDerWaalsContact OD1-CA 3.25Å; D317-C348 WeakPolarHBondContact OD1-CA 3.4Å; D317-T349 PolarHBondContact OD1-N 2.77Å; D317-T349 PolarHBondContact OD1-OG1 2.82Å; D317-T349 VanDerWaalsContact OD2-CG2 3.28Å; D317-T349 WeakPolarHBondContact OD2-CG2 3.22Å; D317-T349 PolarHBondContact OD2-OG1 3.31Å; D317-E352 HydrophobicContact CB-CB 4.01Å; D317-E352 HydrophobicContact CB-CG 4.42Å
318A95.9Very high95.4Very high27 Ų2720 Ų2022%0.22311%0.106CC..Hα-helixtrans-61.2-35176.600000111.8L314 C315 G316 S322L314-A318 HydrophobicContact CD1-CB 3.64Å; L314-A318 HydrophobicContact CG-CB 3.86Å; C315-A318 VanDerWaalsContact O-CB 3.25Å; C315-A318 WeakPolarHBondContact O-CB 3.41Å; C315-A318 PolarHBondContact O-N 2.81Å; G316-A318 PolarHBondContact O-N 2.8Å; A318-S322 WeakPolarHBondContact O-CB 3.29Å; A318-S322 PolarHBondContact O-N 3.24Å; A318-S322 PolarHBondContact O-OG 2.86Å
319T97.4Very high95.3Very high0 Ų019.8 Ų19.80%011%0.105CC..Hα-helixtrans-62.4-46.8174.2-59.50000110.9L314 G316 D317 S322 L323 F340 V342L314-T319 PolarHBondContact O-OG1 2.83Å; L314-T319 VanDerWaalsContact O-OG1 3.09Å; G316-T319 WeakPolarHBondContact O-CB 3.19Å; G316-T319 PolarHBondContact O-N 3.41Å; D317-T319 PolarHBondContact O-N 2.7Å; T319-S322 WeakPolarHBondContact O-CB 3.44Å; T319-S322 PolarHBondContact O-N 2.61Å; T319-L323 WeakPolarHBondContact O-CG 3.4Å; T319-L323 PolarHBondContact O-N 2.9Å; T319-F340 HydrophobicContact CG2-CD2 4.02Å; T319-V342 HydrophobicContact CG2-CG1 3.9Å
320D97.9Very high95.1Very high0 Ų021.5 Ų21.50%012%0.123CC..Hα-helixtrans-73-32.8-176.9-55.8-80.5000112.6D317 R324 E352 A354 R442D317-D320 PolarHBondContact O-N 2.87Å; D317-D320 VanDerWaalsContact O-N 3.14Å; D320-R324 PolarHBondContact O-N 2.97Å; D320-R324 VanDerWaalsContact O-N 3.11Å; D320-R324 PolarHBondContact O-NE 3.26Å; D320-R324 VanDerWaalsContact O-NE 3.09Å; D320-E352 WeakPolarHBondContact CB-O 3.32Å; D320-A354 HydrophobicContact CB-CB 4.06Å; D320-A354 PolarHBondContact OD1-N 3.17Å; D320-R442 IonicContact OD1-CZ 2.68Å; D320-R442 IonicContact OD1-NE 2.67Å; D320-R442 PolarHBondContact OD1-NE 3.49Å; D320-R442 VanDerWaalsContact OD1-NE 3.07Å; D320-R442 IonicContact OD1-NH2 2.72Å; D320-R442 IonicContact OD2-CZ 2.93Å; D320-R442 IonicContact OD2-NE 3.08Å; D320-R442 PolarHBondContact OD2-NE 2.89Å; D320-R442 IonicContact OD2-NH2 2.77Å; D320-R442 PolarHBondContact OD2-NH2 3.05Å
321L97.8Very high94.9Very high19 Ų1929.7 Ų29.710%0.09917%0.167CC..Hα-helixtrans-63.6-41.3169-70168.8000110.9N77 I289 A290 D317 R324 C325N77-L321 HydrophobicContact CB-CD2 4.4Å; N77-L321 VanDerWaalsContact O-CD2 3.29Å; N77-L321 WeakPolarHBondContact O-CD2 3.28Å; I289-L321 HydrophobicContact CB-CB 4.46Å; I289-L321 HydrophobicContact CG2-CB 3.87Å; A290-L321 HydrophobicContact CB-CD1 4.16Å; A290-L321 HydrophobicContact CB-CD2 4.11Å; D317-L321 WeakPolarHBondContact O-CB 3.31Å; D317-L321 VanDerWaalsContact O-CG 3.22Å; D317-L321 WeakPolarHBondContact O-CG 3.37Å; D317-L321 PolarHBondContact O-N 3.19Å; L321-R324 PolarHBondContact O-N 2.88Å; L321-C325 WeakPolarHBondContact O-CB 3.35Å; L321-C325 PolarHBondContact O-N 3.1Å
322S98.5Very high94.8Very high0 Ų032.6 Ų32.60%018%0.184CC..Hα-helixtrans-64.4-42175.6-75.90000112.8F219 L314 A318 T319 R324 C325 L326F219-S322 WeakPolarHBondContact CB-OG 3.32Å; F219-S322 WeakPolarHBondContact CD1-OG 3.15Å; F219-S322 WeakPolarHBondContact CG-OG 3.46Å; L314-S322 WeakPolarHBondContact CD2-OG 3.3Å; A318-S322 WeakPolarHBondContact O-CB 3.29Å; A318-S322 PolarHBondContact O-N 3.24Å; A318-S322 PolarHBondContact O-OG 2.86Å; T319-S322 WeakPolarHBondContact O-CB 3.44Å; T319-S322 PolarHBondContact O-N 2.61Å; S322-R324 VanDerWaalsContact C-N 3.34Å; S322-R324 PolarHBondContact O-N 3.32Å; S322-C325 WeakPolarHBondContact O-CB 2.97Å; S322-C325 PolarHBondContact O-N 2.9Å; S322-L326 WeakPolarHBondContact O-CG 3.38Å; S322-L326 PolarHBondContact O-N 3.21Å
323L98.4Very high94.8Very high0 Ų032 Ų320%018%0.182CC..Hα-helixtrans-62.8-41.3176.3-67.7178.1000111.8T319 L326 K327 I338 F340 A354 R442 Y445 I446 L450T319-L323 WeakPolarHBondContact O-CG 3.4Å; T319-L323 PolarHBondContact O-N 2.9Å; L323-L326 PolarHBondContact O-N 3.11Å; L323-K327 PolarHBondContact O-N 3.48Å; L323-I338 HydrophobicContact CD2-CD1 4.18Å; L323-F340 HydrophobicContact CD2-CD2 4.19Å; L323-F340 HydrophobicContact CD2-CE2 3.73Å; L323-F340 HydrophobicContact CG-CE2 4.15Å; L323-A354 HydrophobicContact CB-CB 4.22Å; L323-A354 HydrophobicContact CD1-CB 4.03Å; L323-R442 HydrophobicContact CD1-CB 3.94Å; L323-R442 HydrophobicContact CD1-CG 4.07Å; L323-Y445 HydrophobicContact CB-CD1 4.06Å; L323-Y445 HydrophobicContact CB-CE1 3.84Å; L323-Y445 HydrophobicContact CD1-CD1 4.41Å; L323-I446 HydrophobicContact CD1-CD1 4.31Å; L323-I446 HydrophobicContact CD1-CG1 4.24Å; L323-I446 HydrophobicContact CD2-CD1 3.84Å; L323-I446 HydrophobicContact CD2-CG1 3.66Å; L323-L450 HydrophobicContact CD2-CD1 4.14Å
324R97.9Very high95.4Very high25 Ų2532 Ų329%0.09418%0.184CC..Hα-helixtrans-68.3-38.3173.5-80.3175-69.6164.4-2.5113.2N77 D320 L321 S322 L326 K327 N328 E352 Y445N77-R324 HydrophobicContact CB-CB 4.5Å; N77-R324 PolarHBondContact O-NE 3.18Å; N77-R324 PolarHBondContact O-NH1 3.24Å; D320-R324 PolarHBondContact O-N 2.97Å; D320-R324 VanDerWaalsContact O-N 3.11Å; D320-R324 PolarHBondContact O-NE 3.26Å; D320-R324 VanDerWaalsContact O-NE 3.09Å; L321-R324 PolarHBondContact O-N 2.88Å; S322-R324 VanDerWaalsContact C-N 3.34Å; S322-R324 PolarHBondContact O-N 3.32Å; R324-L326 PolarHBondContact O-N 3Å; R324-K327 WeakPolarHBondContact O-CB 3.43Å; R324-K327 PolarHBondContact O-N 3.14Å; R324-K327 VanDerWaalsContact O-N 3.11Å; R324-N328 WeakPolarHBondContact O-CB 3.37Å; R324-N328 VanDerWaalsContact O-CG 3.28Å; R324-N328 PolarHBondContact O-N 2.67Å; R324-E352 IonicContact CZ-OE2 2.88Å; R324-E352 IonicContact NH1-OE2 3.26Å; R324-E352 PolarHBondContact NH1-OE2 2.99Å; R324-E352 PolarHBondContact NH2-O 3.32Å; R324-E352 IonicContact NH2-OE2 3.05Å; R324-E352 PolarHBondContact NH2-OE2 2.04Å; R324-Y445 VanDerWaalsContact CG-OH 3.24Å; R324-Y445 WeakPolarHBondContact CG-OH 3.48Å
325C98.5Very high96.2Very high1 Ų132.2 Ų32.21%0.00719%0.185CC..Hα-helixtrans-56.4-42.4173-1740000110.8N77 F219 I289 L292 L294 L321 S322 A329N77-C325 HydrophobicContact CB-CB 4.42Å; N77-C325 WeakPolarHBondContact ND2-CB 3.44Å; N77-C325 PolarHBondContact ND2-SG 2.92Å; N77-C325 VanDerWaalsContact OD1-CA 3.31Å; N77-C325 WeakPolarHBondContact OD1-CA 3.23Å; F219-C325 HydrophobicContact CE1-CB 4.24Å; F219-C325 HydrophobicContact CZ-CB 4.23Å; I289-C325 HydrophobicContact CG2-CB 4.31Å; L292-C325 PolarHBondContact O-SG 3.03Å; L294-C325 VanDerWaalsContact CG-SG 3.57Å; L321-C325 WeakPolarHBondContact O-CB 3.35Å; L321-C325 PolarHBondContact O-N 3.1Å; S322-C325 WeakPolarHBondContact O-CB 2.97Å; S322-C325 PolarHBondContact O-N 2.9Å; C325-A329 PolarHBondContact O-N 2.84Å
326L98.6Very high96.7Very high1 Ų130.3 Ų30.31%0.00517%0.172CC..Hα-helixtrans-65.4-45.6173.7-67.1170.8000112.2L217 F219 L294 L307 A309 S322 L323 R324 N328 A329 M333 L335 I338 F340 L450L217-L326 HydrophobicContact CD2-CD2 4.08Å; F219-L326 HydrophobicContact CE2-CD1 4.27Å; F219-L326 HydrophobicContact CE2-CD2 3.98Å; F219-L326 HydrophobicContact CE2-CG 3.99Å; F219-L326 HydrophobicContact CZ-CD2 4.19Å; F219-L326 HydrophobicContact CZ-CG 4.19Å; L294-L326 HydrophobicContact CD1-CD2 4.03Å; L307-L326 HydrophobicContact CD2-CD2 4.35Å; A309-L326 HydrophobicContact CB-CD1 3.79Å; A309-L326 HydrophobicContact CB-CD2 4.02Å; S322-L326 WeakPolarHBondContact O-CG 3.38Å; S322-L326 PolarHBondContact O-N 3.21Å; L323-L326 PolarHBondContact O-N 3.11Å; R324-L326 PolarHBondContact O-N 3Å; L326-N328 PolarHBondContact O-N 2.71Å; L326-A329 WeakPolarHBondContact O-CB 3.14Å; L326-A329 PolarHBondContact O-N 3.35Å; L326-M333 HydrophobicContact CB-CE 3.86Å; L326-M333 HydrophobicContact CD2-CE 3.6Å; L326-M333 HydrophobicContact CD2-SD 4.19Å; L326-M333 HydrophobicContact CG-CE 4.36Å; L326-M333 WeakPolarHBondContact O-CE 3.45Å; L326-L335 HydrophobicContact CB-CD2 4.39Å; L326-L335 HydrophobicContact CD2-CD1 4.24Å; L326-I338 HydrophobicContact CD1-CD1 3.78Å; L326-I338 HydrophobicContact CD1-CG1 4.23Å; L326-F340 HydrophobicContact CD1-CZ 4.22Å; L326-L450 HydrophobicContact CB-CD1 4.28Å; L326-L450 HydrophobicContact CB-CD2 4.15Å; L326-L450 HydrophobicContact CD1-CD1 4.4Å
327K97.9Very high97.1Very high80 Ų8030.3 Ų30.335%0.34817%0.172SC..Hα-helixtrans-58.6-46.5178.2-175.5-179.1-178.8176.10112.1L323 R324 A329 G330 Y445 E449 L450L323-K327 PolarHBondContact O-N 3.48Å; R324-K327 WeakPolarHBondContact O-CB 3.43Å; R324-K327 PolarHBondContact O-N 3.14Å; R324-K327 VanDerWaalsContact O-N 3.11Å; K327-A329 PolarHBondContact O-N 3.47Å; K327-G330 WeakPolarHBondContact O-CA 3.39Å; K327-G330 PolarHBondContact O-N 3.09Å; K327-Y445 WeakPolarHBondContact CB-OH 3.41Å; K327-Y445 HydrophobicContact CD-CE2 4.37Å; K327-Y445 WeakPolarHBondContact CD-OH 3.41Å; K327-E449 HydrophobicContact CD-CB 4.11Å; K327-E449 WeakPolarHBondContact CE-OE2 3.31Å; K327-E449 IonicContact NZ-OE2 2.68Å; K327-E449 PolarHBondContact NZ-OE2 3.28Å; K327-L450 VanDerWaalsContact CA-CD2 3.45Å; K327-L450 HydrophobicContact CB-CD2 3.64Å; K327-L450 HydrophobicContact CG-CD2 4.36Å
328N97.7Very high97.3Very high74 Ų7428.7 Ų28.740%0.39616%0.163SC..Hα-helixtrans-64.9-28.3-177.1-74.7-13.8000112.6I76 N77 R324 L326 G330I76-N328 PolarHBondContact O-ND2 2.88Å; N77-N328 PolarHBondContact OD1-ND2 3.32Å; R324-N328 WeakPolarHBondContact O-CB 3.37Å; R324-N328 VanDerWaalsContact O-CG 3.28Å; R324-N328 PolarHBondContact O-N 2.67Å; L326-N328 PolarHBondContact O-N 2.71Å; N328-G330 VanDerWaalsContact C-N 3.26Å; N328-G330 PolarHBondContact O-N 3.49Å
329A97.1Very high97.4Very high3 Ų327.4 Ų27.43%0.02515%0.153CC..Hα-helixtrans-66.1-31.6172.600000112.3L294 C325 L326 K327 N331 V332 M333L294-A329 HydrophobicContact CB-CB 3.73Å; L294-A329 HydrophobicContact CD1-CB 4.39Å; C325-A329 PolarHBondContact O-N 2.84Å; L326-A329 WeakPolarHBondContact O-CB 3.14Å; L326-A329 PolarHBondContact O-N 3.35Å; K327-A329 PolarHBondContact O-N 3.47Å; A329-N331 PolarHBondContact O-N 2.81Å; A329-V332 WeakPolarHBondContact O-CB 3.42Å; A329-V332 WeakPolarHBondContact O-CG2 3.47Å; A329-V332 PolarHBondContact O-N 3.47Å; A329-M333 HydrophobicContact CB-CE 3.7Å; A329-M333 HydrophobicContact CB-CG 4.08Å; A329-M333 HydrophobicContact CB-SD 3.63Å
330G94.1Very high97.5Very high36 Ų3627.4 Ų27.437%0.37115%0.153SC..G310 helixtrans50.6-136.7178.700000113K327 N328 V332 M333K327-G330 WeakPolarHBondContact O-CA 3.39Å; K327-G330 PolarHBondContact O-N 3.09Å; N328-G330 VanDerWaalsContact C-N 3.26Å; N328-G330 PolarHBondContact O-N 3.49Å; G330-V332 PolarHBondContact O-N 3.2Å; G330-V332 VanDerWaalsContact O-N 3.17Å; G330-M333 PolarHBondContact O-N 3.36Å
331N94.2Very high97.5Very high173 Ų17327.4 Ų27.493%0.92515%0.153SC*.G310 helixtrans-72.9-2.1-176.3-65-22.8000114.4A329 M333A329-N331 PolarHBondContact O-N 2.81Å; N331-M333 PolarHBondContact O-N 3.44Å
332V96.4Very high97.4Very high60 Ų6026.6 Ų26.636%0.36415%0.149SC..G310 helixtrans-64.4-28.3174.7-178.20000110.6A295 I300 Q301 A329 G330A295-V332 HydrophobicContact CB-CB 4.17Å; A295-V332 HydrophobicContact CB-CG1 4.29Å; A295-V332 HydrophobicContact CB-CG2 3.88Å; I300-V332 HydrophobicContact CG2-CG1 4.28Å; Q301-V332 HydrophobicContact CG-CG1 4.21Å; A329-V332 WeakPolarHBondContact O-CB 3.42Å; A329-V332 WeakPolarHBondContact O-CG2 3.47Å; A329-V332 PolarHBondContact O-N 3.47Å; G330-V332 PolarHBondContact O-N 3.2Å; G330-V332 VanDerWaalsContact O-N 3.17Å
333M95.4Very high97.1Very high14 Ų1426.9 Ų26.97%0.06915%0.151CC..SBendtrans-115.6150.9176.168.6-176.3-175.200112.1L294 I300 L307 L326 A329 G330 N331 L335L294-M333 HydrophobicContact CD1-SD 4.35Å; I300-M333 HydrophobicContact CG2-CB 3.82Å; L307-M333 HydrophobicContact CD1-CB 4.36Å; L307-M333 HydrophobicContact CD1-SD 4.01Å; L307-M333 HydrophobicContact CD2-SD 4.39Å; L326-M333 HydrophobicContact CB-CE 3.86Å; L326-M333 HydrophobicContact CD2-CE 3.6Å; L326-M333 HydrophobicContact CD2-SD 4.19Å; L326-M333 HydrophobicContact CG-CE 4.36Å; L326-M333 WeakPolarHBondContact O-CE 3.45Å; A329-M333 HydrophobicContact CB-CE 3.7Å; A329-M333 HydrophobicContact CB-CG 4.08Å; A329-M333 HydrophobicContact CB-SD 3.63Å; G330-M333 PolarHBondContact O-N 3.36Å; N331-M333 PolarHBondContact O-N 3.44Å; M333-L335 HydrophobicContact CE-CB 3.96Å; M333-L335 HydrophobicContact CE-CD1 4.42Å; M333-L335 HydrophobicContact CE-CD2 4.14Å; M333-L335 HydrophobicContact CE-CG 4.39Å; M333-L335 HydrophobicContact CG-CB 4.47Å; M333-L335 PolarHBondContact O-N 2.83Å
334N96.7Very high96.8Very high55 Ų5529 Ų2929%0.29417%0.166SC..  trans-89.269.7171.6-175.712.4000111L307 S336 R476L307-N334 PolarHBondContact N-O 3.02Å; N334-S336 PolarHBondContact O-N 3.32Å; N334-S336 PolarHBondContact O-OG 3.05Å; N334-S336 VanDerWaalsContact O-OG 3.11Å; N334-S336 PolarHBondContact OD1-OG 2.9Å; N334-R476 PolarHBondContact OD1-NH2 3.21Å; N334-R476 VanDerWaalsContact OD1-NH2 3.17Å
335L98.1Very high96.7Very high14 Ų1427.9 Ų27.97%0.07316%0.161CC..EExtended strand (participates in β ladder)trans-60.2121.8176.2-175.562.2000110L307 A309 L326 M333 I338 L450 L452 R476L307-L335 HydrophobicContact CD2-CD1 3.66Å; A309-L335 HydrophobicContact CB-CD1 4.49Å; L326-L335 HydrophobicContact CB-CD2 4.39Å; L326-L335 HydrophobicContact CD2-CD1 4.24Å; M333-L335 HydrophobicContact CE-CB 3.96Å; M333-L335 HydrophobicContact CE-CD1 4.42Å; M333-L335 HydrophobicContact CE-CD2 4.14Å; M333-L335 HydrophobicContact CE-CG 4.39Å; M333-L335 HydrophobicContact CG-CB 4.47Å; M333-L335 PolarHBondContact O-N 2.83Å; L335-I338 HydrophobicContact CD1-CG1 4.32Å; L335-I338 HydrophobicContact CD2-CD1 4.44Å; L335-L450 HydrophobicContact CD2-CB 4.11Å; L335-L450 HydrophobicContact CD2-CD1 4.28Å; L335-L450 HydrophobicContact CD2-CD2 4.38Å; L335-L452 HydrophobicContact CD2-CD1 4.11Å; L335-L452 HydrophobicContact CG-CD1 4.16Å; L335-R476 PolarHBondContact O-NE 3.19Å; L335-R476 PolarHBondContact O-NH2 3.5Å
336S98.1Very high96.4Very high20 Ų2030.3 Ų30.314%0.1418%0.178CC..EExtended strand (participates in β ladder)trans-125.8-19.9-174.7-620000113.4P306 L307 N334 R476P306-S336 WeakPolarHBondContact CB-OG 3.43Å; L307-S336 PolarHBondContact O-N 3.21Å; N334-S336 PolarHBondContact O-N 3.32Å; N334-S336 PolarHBondContact O-OG 3.05Å; N334-S336 VanDerWaalsContact O-OG 3.11Å; N334-S336 PolarHBondContact OD1-OG 2.9Å; S336-R476 PolarHBondContact O-N 2.98Å
337G98.5Very high96.1Very high0 Ų037.2 Ų37.20%021%0.208CC..EExtended strand (participates in β ladder)trans-167.1164.217200000114.8L307 I308 A309 A474L307-G337 PolarHBondContact O-N 3.02Å; I308-G337 WeakPolarHBondContact CA-O 3.49Å; A309-G337 PolarHBondContact N-O 3.29Å; G337-A474 CarbonylContact C-O 3.53Å; G337-A474 WeakPolarHBondContact CA-O 3.39Å
338I98.7Very high95.9Very high0 Ų033.7 Ų33.70%019%0.194CC..EExtended strand (participates in β ladder)trans-136.3136.9-179.9-61178.7000108.7A309 L323 L326 L335 F340 I446 L450 L452 C473 A474A309-I338 HydrophobicContact CB-CG1 4.28Å; A309-I338 CarbonylContact O-C 3.31Å; A309-I338 VanDerWaalsContact O-CA 3.26Å; A309-I338 WeakPolarHBondContact O-CA 3.45Å; L323-I338 HydrophobicContact CD2-CD1 4.18Å; L326-I338 HydrophobicContact CD1-CD1 3.78Å; L326-I338 HydrophobicContact CD1-CG1 4.23Å; L335-I338 HydrophobicContact CD1-CG1 4.32Å; L335-I338 HydrophobicContact CD2-CD1 4.44Å; I338-F340 HydrophobicContact CG2-CD1 3.7Å; I338-F340 HydrophobicContact CG2-CD2 4.2Å; I338-F340 HydrophobicContact CG2-CE1 3.85Å; I338-F340 HydrophobicContact CG2-CE2 4.35Å; I338-F340 HydrophobicContact CG2-CG 3.89Å; I338-F340 HydrophobicContact CG2-CZ 4.19Å; I338-I446 HydrophobicContact CD1-CD1 4.49Å; I338-I446 HydrophobicContact CD1-CG1 4.22Å; I338-I446 HydrophobicContact CD1-CG2 4.09Å; I338-L450 HydrophobicContact CD1-CD1 3.59Å; I338-L452 HydrophobicContact CB-CD1 4.49Å; I338-L452 HydrophobicContact CD1-CD1 3.72Å; I338-L452 HydrophobicContact CG1-CD1 3.68Å; I338-C473 CarbonylContact O-C 3.57Å; I338-C473 VanDerWaalsContact O-CA 3.23Å; I338-C473 WeakPolarHBondContact O-CA 3.47Å; I338-A474 HydrophobicContact CB-CB 4.4Å; I338-A474 PolarHBondContact N-O 2.83Å; I338-A474 PolarHBondContact O-N 3.13Å
339M98.6Very high95.7Very high0 Ų032.9 Ų32.90%019%0.191CC..EExtended strand (participates in β ladder)trans-137.1100.8164.7-175.8-141.165.700109.8L200 V203 L204 L209 L226 A309 V310 A311 V471 I472L200-M339 HydrophobicContact CB-CE 4.17Å; L200-M339 HydrophobicContact CB-SD 4.15Å; L200-M339 HydrophobicContact CD2-CE 4.1Å; L200-M339 HydrophobicContact CD2-SD 4.09Å; L200-M339 HydrophobicContact CG-CE 4.49Å; V203-M339 HydrophobicContact CB-SD 4.48Å; V203-M339 HydrophobicContact CG1-CG 4.36Å; V203-M339 HydrophobicContact CG1-SD 4.44Å; L204-M339 HydrophobicContact CD1-SD 4.28Å; L204-M339 HydrophobicContact CD2-CB 3.61Å; L204-M339 HydrophobicContact CD2-CE 4.47Å; L204-M339 HydrophobicContact CD2-CG 4.07Å; L204-M339 HydrophobicContact CD2-SD 3.73Å; L204-M339 HydrophobicContact CG-CE 4.46Å; L204-M339 HydrophobicContact CG-SD 3.59Å; L204-M339 VanDerWaalsContact CG-SD 3.59Å; L209-M339 HydrophobicContact CD1-CB 4.29Å; L226-M339 HydrophobicContact CD2-CE 3.71Å; A309-M339 PolarHBondContact O-N 2.88Å; V310-M339 VanDerWaalsContact CA-O 3.29Å; V310-M339 WeakPolarHBondContact CA-O 3.41Å; V310-M339 HydrophobicContact CB-CE 4.27Å; V310-M339 HydrophobicContact CG1-CB 4.44Å; V310-M339 HydrophobicContact CG1-CE 4.42Å; A311-M339 PolarHBondContact N-O 3.26Å; M339-V471 HydrophobicContact CB-CG1 4.49Å; M339-V471 HydrophobicContact CG-CG1 3.35Å; M339-V471 HydrophobicContact SD-CG1 4.29Å; M339-I472 WeakPolarHBondContact CA-O 3.47Å
340F98.5Very high95.6Very high0 Ų033.4 Ų33.40%019%0.193CC..EExtended strand (participates in β ladder)trans-111.8114.4179.1-72-0.9000111.2F219 A309 A311 L314 T319 L323 L326 I338 V342 V471 I472F219-F340 HydrophobicContact CD2-CE1 4.07Å; F219-F340 AromaticContact CD2-CZ 3.73Å; F219-F340 HydrophobicContact CD2-CZ 3.73Å; F219-F340 HydrophobicContact CE2-CZ 4.11Å; A309-F340 HydrophobicContact CB-CE1 4.01Å; A309-F340 HydrophobicContact CB-CZ 4.38Å; A311-F340 HydrophobicContact CB-CB 4.36Å; A311-F340 HydrophobicContact CB-CD1 3.51Å; A311-F340 HydrophobicContact CB-CE1 3.9Å; A311-F340 HydrophobicContact CB-CG 3.94Å; L314-F340 HydrophobicContact CD2-CE2 4.5Å; T319-F340 HydrophobicContact CG2-CD2 4.02Å; L323-F340 HydrophobicContact CD2-CD2 4.19Å; L323-F340 HydrophobicContact CD2-CE2 3.73Å; L323-F340 HydrophobicContact CG-CE2 4.15Å; L326-F340 HydrophobicContact CD1-CZ 4.22Å; I338-F340 HydrophobicContact CG2-CD1 3.7Å; I338-F340 HydrophobicContact CG2-CD2 4.2Å; I338-F340 HydrophobicContact CG2-CE1 3.85Å; I338-F340 HydrophobicContact CG2-CE2 4.35Å; I338-F340 HydrophobicContact CG2-CG 3.89Å; I338-F340 HydrophobicContact CG2-CZ 4.19Å; F340-V342 HydrophobicContact CB-CG1 4.28Å; F340-V342 PolarHBondContact O-N 3.35Å; F340-V471 VanDerWaalsContact O-CA 3.32Å; F340-V471 WeakPolarHBondContact O-CA 3.49Å; F340-I472 HydrophobicContact CB-CD1 4.22Å; F340-I472 HydrophobicContact CB-CG1 3.8Å; F340-I472 PolarHBondContact N-O 3.28Å; F340-I472 PolarHBondContact O-N 3.19Å
341A97.4Very high95.6Very high1 Ų134.3 Ų34.31%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-77.499.816600000109L200 A311 H313 L314 Y460 V471L200-A341 HydrophobicContact CD1-CB 4.33Å; L200-A341 HydrophobicContact CD2-CB 3.85Å; A311-A341 PolarHBondContact O-N 3.17Å; H313-A341 WeakPolarHBondContact CA-O 3.27Å; H313-A341 PolarHBondContact N-O 3.46Å; L314-A341 PolarHBondContact N-O 2.95Å; A341-Y460 HydrophobicContact CB-CE1 4.4Å; A341-V471 HydrophobicContact CB-CG2 3.66Å
342V95.4Very high95.6Very high2 Ų226.7 Ų26.71%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-83.9145.6-172.1-69.50000111.7T319 F340 D439 I470 I472T319-V342 HydrophobicContact CG2-CG1 3.9Å; F340-V342 HydrophobicContact CB-CG1 4.28Å; F340-V342 PolarHBondContact O-N 3.35Å; V342-D439 WeakPolarHBondContact CG2-OD2 3.33Å; V342-I470 PolarHBondContact N-O 3.47Å; V342-I472 HydrophobicContact CG1-CD1 3.94Å; V342-I472 HydrophobicContact CG1-CG1 3.95Å
343C93.8Very high95.6Very high6 Ų624.1 Ų24.14%0.04113%0.132CC..EExtended strand (participates in β ladder)trans-154.5174.7174.468.40000112.6H313 L314 C315 G316 H345 E468H313-C343 WeakPolarHBondContact CA-SG 3.44Å; H313-C343 PolarHBondContact O-SG 3.02Å; L314-C343 PolarHBondContact O-N 2.67Å; C315-C343 VanDerWaalsContact SG-SG 3.63Å; G316-C343 PolarHBondContact N-O 3.11Å; G316-C343 VanDerWaalsContact N-O 3.08Å; C343-H345 VanDerWaalsContact C-N 3.35Å; C343-H345 PolarHBondContact O-N 3.24Å; C343-E468 HydrophobicContact CB-CB 3.97Å; C343-E468 HydrophobicContact CB-CG 3.84Å
344C92Very high95.7Very high45 Ų4524 Ų2430%0.30413%0.133SC..  trans58.742.9174-60.30000113C315 S346 K347C315-C344 HydrophobicContact CB-CB 3.9Å; C344-S346 PolarHBondContact O-N 2.59Å; C344-S346 VanDerWaalsContact O-N 3.08Å; C344-K347 HydrophobicContact CB-CB 4.48Å; C344-K347 HydrophobicContact CB-CG 4.12Å; C344-K347 WeakPolarHBondContact O-CB 3.05Å; C344-K347 PolarHBondContact O-N 3.2Å
345H94.9Very high95.6Very high1 Ų121.4 Ų21.41%0.00512%0.12CC..G310 helixtrans-53.4-30.4178.6-64.175.5000113.3C343 K347 C348 S374 S377 K435 I438 D439C343-H345 VanDerWaalsContact C-N 3.35Å; C343-H345 PolarHBondContact O-N 3.24Å; H345-K347 PolarHBondContact O-N 3.47Å; H345-C348 WeakPolarHBondContact O-CB 3.38Å; H345-C348 PolarHBondContact O-N 3.01Å; H345-C348 PolarHBondContact O-SG 2.95Å; H345-S374 PolarHBondContact O-OG 3.03Å; H345-S377 WeakPolarHBondContact CB-OG 3.46Å; H345-K435 HydrophobicContact CB-CG 4.05Å; H345-I438 HydrophobicContact CB-CD1 4Å; H345-D439 IonicContact CD2-OD1 3.89Å; H345-D439 IonicContact CE1-OD1 2.8Å; H345-D439 IonicContact CE1-OD2 3.85Å; H345-D439 IonicContact NE2-OD1 3.87Å; H345-D439 PolarHBondContact NE2-OD1 3.14Å; H345-D439 IonicContact NE2-OD2 3.69Å; H345-D439 PolarHBondContact NE2-OD2 3.31Å
346S92Very high95.6Very high52 Ų5225.3 Ų25.336%0.36413%0.134SC..G310 helixtrans-67.1-1174.277.60000115.4C344 S374 S377C344-S346 PolarHBondContact O-N 2.59Å; C344-S346 VanDerWaalsContact O-N 3.08Å; S346-S374 WeakPolarHBondContact CA-O 3.44Å; S346-S374 WeakPolarHBondContact CA-OG 3.39Å; S346-S374 WeakPolarHBondContact CB-O 3.06Å; S346-S377 PolarHBondContact N-OG 2.84Å
347K92Very high95.5Very high145 Ų14531 Ų3163%0.6316%0.156SC*.G310 helixtrans-104.1-1.8172.1-59.5-60.5-176.4-174.20112.5C344 H345C344-K347 HydrophobicContact CB-CB 4.48Å; C344-K347 HydrophobicContact CB-CG 4.12Å; C344-K347 WeakPolarHBondContact O-CB 3.05Å; C344-K347 PolarHBondContact O-N 3.2Å; H345-K347 PolarHBondContact O-N 3.47Å
348C94.5Very high95.5Very high7 Ų732.7 Ų32.75%0.04716%0.163CC..  trans-71.3142.1176.5-55.50000110.5D317 H345 F370 S374 R442D317-C348 VanDerWaalsContact OD1-CA 3.25Å; D317-C348 WeakPolarHBondContact OD1-CA 3.4Å; H345-C348 WeakPolarHBondContact O-CB 3.38Å; H345-C348 PolarHBondContact O-N 3.01Å; H345-C348 PolarHBondContact O-SG 2.95Å; C348-F370 HydrophobicContact CB-CE1 4.06Å; C348-F370 HydrophobicContact CB-CZ 3.96Å; C348-S374 PolarHBondContact O-OG 2.88Å; C348-S374 VanDerWaalsContact O-OG 3.12Å; C348-R442 PolarHBondContact SG-NH2 3.49Å
349T94.1Very high95.4Very high56 Ų5632.7 Ų32.734%0.34416%0.163SC..  trans-118.3149.617667.70000111.5D317 N351 E352 T353D317-T349 PolarHBondContact OD1-N 2.77Å; D317-T349 PolarHBondContact OD1-OG1 2.82Å; D317-T349 VanDerWaalsContact OD2-CG2 3.28Å; D317-T349 WeakPolarHBondContact OD2-CG2 3.22Å; D317-T349 PolarHBondContact OD2-OG1 3.31Å; T349-N351 VanDerWaalsContact C-N 3.26Å; T349-N351 PolarHBondContact O-N 3.46Å; T349-E352 PolarHBondContact O-N 3.07Å; T349-E352 WeakPolarHBondContact OG1-CB 3.43Å; T349-E352 WeakPolarHBondContact OG1-CG 3.48Å; T349-T353 WeakPolarHBondContact O-CB 3.4Å; T349-T353 PolarHBondContact O-N 2.95Å
350W94.6Very high95.4Very high15 Ų1536 Ų366%0.05718%0.178CC..THydrogen-bonded Turntrans-60.9-34.1-177.8180-108.5000113.6T353 R356 L359 E360 I365 S367 F370W350-T353 HydrophobicContact CE3-CG2 4.27Å; W350-T353 WeakPolarHBondContact O-CG2 3.44Å; W350-R356 HydrophobicContact CD2-CG 4.44Å; W350-R356 HydrophobicContact CH2-CG 4.04Å; W350-R356 HydrophobicContact CZ2-CG 3.77Å; W350-R356 HydrophobicContact CZ3-CG 4.44Å; W350-L359 HydrophobicContact CH2-CB 4.3Å; W350-L359 HydrophobicContact CZ3-CB 4.11Å; W350-L359 HydrophobicContact CZ3-CD1 4.43Å; W350-E360 HydrophobicContact CH2-CB 4.02Å; W350-E360 HydrophobicContact CZ2-CB 4.14Å; W350-E360 HydrophobicContact CZ2-CG 4.3Å; W350-I365 VanDerWaalsContact CH2-O 3.28Å; W350-I365 WeakPolarHBondContact CH2-O 3.34Å; W350-I365 HydrophobicContact CZ3-CG2 4.35Å; W350-S367 WeakPolarHBondContact CB-OG 3.25Å; W350-F370 HydrophobicContact CB-CD1 4.11Å; W350-F370 HydrophobicContact CD2-CB 4.29Å; W350-F370 HydrophobicContact CE3-CB 3.34Å; W350-F370 AromaticContact CE3-CD1 3.87Å; W350-F370 HydrophobicContact CE3-CD1 3.87Å; W350-F370 AromaticContact CE3-CD2 3.88Å; W350-F370 HydrophobicContact CE3-CD2 3.88Å; W350-F370 AromaticContact CE3-CG 3.42Å; W350-F370 HydrophobicContact CE3-CG 3.42Å; W350-F370 VanDerWaalsContact CE3-CG 3.42Å; W350-F370 HydrophobicContact CZ3-CB 3.71Å; W350-F370 AromaticContact CZ3-CD2 3.99Å; W350-F370 HydrophobicContact CZ3-CD2 3.99Å; W350-F370 AromaticContact CZ3-CG 3.92Å; W350-F370 HydrophobicContact CZ3-CG 3.92Å
351N92.7Very high95.3Very high54 Ų5441.3 Ų41.329%0.28920%0.201SC..THydrogen-bonded Turntrans-75-36.9-178.9-68.9-8.8000111.4A79 N80 T349A79-N351 WeakPolarHBondContact CB-O 3.08Å; N80-N351 WeakPolarHBondContact OD1-CB 3.47Å; N80-N351 PolarHBondContact OD1-ND2 2.81Å; T349-N351 VanDerWaalsContact C-N 3.26Å; T349-N351 PolarHBondContact O-N 3.46Å
352E95Very high95.3Very high13 Ų1346.8 Ų46.86%0.06123%0.227CC..THydrogen-bonded Turntrans-90.5-16.7-174.4-60.7-68.1-16900113.6S78 A79 N80 D317 D320 R324 T349 A354S78-E352 PolarHBondContact OG-OE1 3.12Å; A79-E352 PolarHBondContact N-OE2 3.29Å; N80-E352 PolarHBondContact ND2-OE1 3.3Å; D317-E352 HydrophobicContact CB-CB 4.01Å; D317-E352 HydrophobicContact CB-CG 4.42Å; D320-E352 WeakPolarHBondContact CB-O 3.32Å; R324-E352 IonicContact CZ-OE2 2.88Å; R324-E352 IonicContact NH1-OE2 3.26Å; R324-E352 PolarHBondContact NH1-OE2 2.99Å; R324-E352 PolarHBondContact NH2-O 3.32Å; R324-E352 IonicContact NH2-OE2 3.05Å; R324-E352 PolarHBondContact NH2-OE2 2.04Å; T349-E352 PolarHBondContact O-N 3.07Å; T349-E352 WeakPolarHBondContact OG1-CB 3.43Å; T349-E352 WeakPolarHBondContact OG1-CG 3.48Å; E352-A354 PolarHBondContact O-N 2.76Å
353T96.3Very high95.4Very high6 Ų646.8 Ų46.84%0.03723%0.227CC..  trans-59.9124.1-178.5-170.80000112.2T349 W350 G355 R356 L359 F370T349-T353 WeakPolarHBondContact O-CB 3.4Å; T349-T353 PolarHBondContact O-N 2.95Å; W350-T353 HydrophobicContact CE3-CG2 4.27Å; W350-T353 WeakPolarHBondContact O-CG2 3.44Å; T353-G355 VanDerWaalsContact C-N 3.32Å; T353-G355 PolarHBondContact O-N 3.3Å; T353-R356 HydrophobicContact CG2-CB 3.75Å; T353-R356 HydrophobicContact CG2-CG 4.44Å; T353-R356 WeakPolarHBondContact O-CB 3.4Å; T353-R356 PolarHBondContact O-N 2.69Å; T353-L359 HydrophobicContact CG2-CD1 4.22Å; T353-F370 HydrophobicContact CG2-CE1 4.38Å; T353-F370 HydrophobicContact CG2-CE2 4.28Å; T353-F370 HydrophobicContact CG2-CZ 4.02Å
354A96.8Very high95.6Very high11 Ų1153.9 Ų53.99%0.09126%0.257CS..THydrogen-bonded Turntrans-68.2-35.9-176.500000111.1D320 L323 E352 R356 Y445D320-A354 HydrophobicContact CB-CB 4.06Å; D320-A354 PolarHBondContact OD1-N 3.17Å; L323-A354 HydrophobicContact CB-CB 4.22Å; L323-A354 HydrophobicContact CD1-CB 4.03Å; E352-A354 PolarHBondContact O-N 2.76Å; A354-R356 PolarHBondContact O-N 3.32Å; A354-R356 VanDerWaalsContact O-N 3.11Å; A354-Y445 HydrophobicContact CB-CD1 3.98Å; A354-Y445 HydrophobicContact CB-CD2 3.97Å; A354-Y445 HydrophobicContact CB-CE1 4.25Å; A354-Y445 HydrophobicContact CB-CE2 4.2Å; A354-Y445 HydrophobicContact CB-CG 3.82Å; A354-Y445 WeakPolarHBondContact O-CD2 3.34Å
355G96.4Very high95.8Very high2 Ų252 Ų522%0.02124%0.244CC..THydrogen-bonded Turntrans-74.810.217900000115.7T353 F357 W358 L359 G441T353-G355 VanDerWaalsContact C-N 3.32Å; T353-G355 PolarHBondContact O-N 3.3Å; G355-F357 VanDerWaalsContact C-N 3.33Å; G355-F357 PolarHBondContact O-N 2.8Å; G355-W358 PolarHBondContact O-N 2.7Å; G355-L359 WeakPolarHBondContact O-CG 3.39Å; G355-L359 PolarHBondContact O-N 3.32Å; G355-G441 VanDerWaalsContact CA-C 3.42Å; G355-G441 WeakPolarHBondContact CA-O 3.36Å
356R96.4Very high95.8Very high96 Ų9655.4 Ų55.436%0.36227%0.265SS..Hα-helixtrans-53.5-46.3-171.9-177.8179.2165.2176.5-1.7113.2W350 T353 A354 W358 L359 E360W350-R356 HydrophobicContact CD2-CG 4.44Å; W350-R356 HydrophobicContact CH2-CG 4.04Å; W350-R356 HydrophobicContact CZ2-CG 3.77Å; W350-R356 HydrophobicContact CZ3-CG 4.44Å; T353-R356 HydrophobicContact CG2-CB 3.75Å; T353-R356 HydrophobicContact CG2-CG 4.44Å; T353-R356 WeakPolarHBondContact O-CB 3.4Å; T353-R356 PolarHBondContact O-N 2.69Å; A354-R356 PolarHBondContact O-N 3.32Å; A354-R356 VanDerWaalsContact O-N 3.11Å; R356-W358 VanDerWaalsContact C-N 3.33Å; R356-W358 PolarHBondContact O-N 3.26Å; R356-L359 PolarHBondContact O-N 3.46Å; R356-E360 IonicContact NE-OE2 3.55Å; R356-E360 IonicContact NH2-OE2 3.68Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 PolarHBondContact O-N 3.21Å
357F96.3Very high95.9Very high140 Ų14054.3 Ų54.361%0.61426%0.257SS*.Hα-helixtrans-57-48.8-177.7179.2-91.5000111.2G355 E360 K361G355-F357 VanDerWaalsContact C-N 3.33Å; G355-F357 PolarHBondContact O-N 2.8Å; F357-E360 PolarHBondContact O-N 2.97Å; F357-K361 HydrophobicContact CD2-CG 4.28Å; F357-K361 HydrophobicContact CE1-CG 4.41Å; F357-K361 HydrophobicContact CE2-CG 4.04Å; F357-K361 HydrophobicContact CZ-CG 4.1Å; F357-K361 WeakPolarHBondContact O-CB 3.47Å; F357-K361 WeakPolarHBondContact O-CG 3.32Å; F357-K361 PolarHBondContact O-N 2.88Å
358W98.1Very high96Very high34 Ų3451.5 Ų51.513%0.12925%0.249CC..Hα-helixtrans-66.1-44.2178.1-178.288.3000112.1L114 G355 R356 E360 K361 E362 A363 L437 W440 M444L114-W358 HydrophobicContact CD1-CH2 3.43Å; L114-W358 VanDerWaalsContact CD1-CH2 3.43Å; L114-W358 HydrophobicContact CD1-CZ2 3.63Å; L114-W358 HydrophobicContact CD2-CZ2 4.32Å; G355-W358 PolarHBondContact O-N 2.7Å; R356-W358 VanDerWaalsContact C-N 3.33Å; R356-W358 PolarHBondContact O-N 3.26Å; W358-E360 VanDerWaalsContact C-N 3.29Å; W358-E360 PolarHBondContact O-N 3.34Å; W358-K361 PolarHBondContact O-N 3.4Å; W358-E362 VanDerWaalsContact CD1-CG 3.42Å; W358-E362 HydrophobicContact CD2-CB 4.24Å; W358-E362 HydrophobicContact CG-CB 4.17Å; W358-E362 HydrophobicContact CG-CG 4.1Å; W358-E362 HydrophobicContact CZ2-CB 4.28Å; W358-E362 WeakPolarHBondContact O-CA 3.14Å; W358-E362 WeakPolarHBondContact O-CB 3.45Å; W358-E362 PolarHBondContact O-N 3.25Å; W358-A363 HydrophobicContact CE3-CB 4.31Å; W358-A363 HydrophobicContact CH2-CB 3.68Å; W358-A363 HydrophobicContact CZ2-CB 4.44Å; W358-A363 HydrophobicContact CZ3-CB 3.64Å; W358-A363 PolarHBondContact O-N 3.27Å; W358-A363 VanDerWaalsContact O-N 3.13Å; W358-L437 HydrophobicContact CH2-CD1 4.09Å; W358-L437 HydrophobicContact CZ3-CD1 3.93Å; W358-W440 AromaticContact CE2-CD1 3.68Å; W358-W440 AromaticContact CE2-NE1 3.67Å; W358-W440 AromaticContact CH2-CD1 3.24Å; W358-W440 HydrophobicContact CH2-CG 4.37Å; W358-W440 AromaticContact CH2-NE1 3.79Å; W358-W440 AromaticContact CZ2-CD1 3.26Å; W358-W440 AromaticContact CZ2-NE1 3.3Å; W358-W440 VanDerWaalsContact CZ2-NE1 3.3Å; W358-W440 AromaticContact CZ3-CD1 3.62Å; W358-M444 HydrophobicContact CB-CB 4.03Å; W358-M444 HydrophobicContact CB-CG 4.45Å; W358-M444 HydrophobicContact CD2-CB 4.46Å; W358-M444 HydrophobicContact CD2-CG 3.96Å; W358-M444 HydrophobicContact CG-CB 3.81Å; W358-M444 HydrophobicContact CG-CG 3.7Å
359L98.2Very high96Very high1 Ų153.6 Ų53.61%0.00526%0.258CS..Hα-helixtrans-59.1-41.7178.1-70.6163.7000111.7W350 T353 G355 R356 A363 K364 I365 F370 L437W350-L359 HydrophobicContact CH2-CB 4.3Å; W350-L359 HydrophobicContact CZ3-CB 4.11Å; W350-L359 HydrophobicContact CZ3-CD1 4.43Å; T353-L359 HydrophobicContact CG2-CD1 4.22Å; G355-L359 WeakPolarHBondContact O-CG 3.39Å; G355-L359 PolarHBondContact O-N 3.32Å; R356-L359 PolarHBondContact O-N 3.46Å; L359-A363 CarbonylContact O-C 3.16Å; L359-A363 WeakPolarHBondContact O-CB 3.32Å; L359-K364 PolarHBondContact O-N 3.27Å; L359-K364 VanDerWaalsContact O-N 3.1Å; L359-I365 HydrophobicContact CD2-CD1 3.69Å; L359-I365 WeakPolarHBondContact O-CB 3.26Å; L359-I365 PolarHBondContact O-N 3.49Å; L359-F370 HydrophobicContact CD1-CD2 3.87Å; L359-F370 HydrophobicContact CD1-CE2 3.58Å; L359-L437 HydrophobicContact CD2-CD1 4.39Å; L359-L437 HydrophobicContact CD2-CG 4.32Å
360E97.3Very high96.1Very high70 Ų7050.9 Ų50.933%0.32724%0.242SC..Hα-helixtrans-75.2-45.1-178.5-167.4-175.1131.100112.3W350 R356 F357 W358 K364W350-E360 HydrophobicContact CH2-CB 4.02Å; W350-E360 HydrophobicContact CZ2-CB 4.14Å; W350-E360 HydrophobicContact CZ2-CG 4.3Å; R356-E360 IonicContact NE-OE2 3.55Å; R356-E360 IonicContact NH2-OE2 3.68Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 PolarHBondContact O-N 3.21Å; F357-E360 PolarHBondContact O-N 2.97Å; W358-E360 VanDerWaalsContact C-N 3.29Å; W358-E360 PolarHBondContact O-N 3.34Å; E360-K364 WeakPolarHBondContact O-CA 3.4Å
361K97.4Very high96Very high111 Ų11154.4 Ų54.448%0.48326%0.255SS..Hα-helixtrans-87.8-43.6-171.8-60.7-54.4-179.1-159.70113.5F357 W358F357-K361 HydrophobicContact CD2-CG 4.28Å; F357-K361 HydrophobicContact CE1-CG 4.41Å; F357-K361 HydrophobicContact CE2-CG 4.04Å; F357-K361 HydrophobicContact CZ-CG 4.1Å; F357-K361 WeakPolarHBondContact O-CB 3.47Å; F357-K361 WeakPolarHBondContact O-CG 3.32Å; F357-K361 PolarHBondContact O-N 2.88Å; W358-K361 PolarHBondContact O-N 3.4Å
362E97.2Very high96.2Very high116 Ų11652.3 Ų52.354%0.54224%0.244SC..THydrogen-bonded Turntrans-93.4-53.2-174.3-52.8-55.2150.400110.7W358 K364W358-E362 VanDerWaalsContact CD1-CG 3.42Å; W358-E362 HydrophobicContact CD2-CB 4.24Å; W358-E362 HydrophobicContact CG-CB 4.17Å; W358-E362 HydrophobicContact CG-CG 4.1Å; W358-E362 HydrophobicContact CZ2-CB 4.28Å; W358-E362 WeakPolarHBondContact O-CA 3.14Å; W358-E362 WeakPolarHBondContact O-CB 3.45Å; W358-E362 PolarHBondContact O-N 3.25Å; E362-K364 VanDerWaalsContact C-N 3.25Å; E362-K364 PolarHBondContact O-N 3.49Å
363A97.4Very high96.3Very high1 Ų151.8 Ų51.81%0.00824%0.241CC..SBendtrans-76-15.3179.800000113.5R106 L110 W358 L359 I365R106-A363 PolarHBondContact NH2-O 3.5Å; L110-A363 HydrophobicContact CD1-CB 4.24Å; L110-A363 HydrophobicContact CD2-CB 4.24Å; W358-A363 HydrophobicContact CE3-CB 4.31Å; W358-A363 HydrophobicContact CH2-CB 3.68Å; W358-A363 HydrophobicContact CZ2-CB 4.44Å; W358-A363 HydrophobicContact CZ3-CB 3.64Å; W358-A363 PolarHBondContact O-N 3.27Å; W358-A363 VanDerWaalsContact O-N 3.13Å; L359-A363 CarbonylContact O-C 3.16Å; L359-A363 WeakPolarHBondContact O-CB 3.32Å; A363-I365 VanDerWaalsContact C-N 3.32Å; A363-I365 HydrophobicContact CB-CD1 3.57Å; A363-I365 HydrophobicContact CB-CG1 3.94Å; A363-I365 PolarHBondContact O-N 3.29Å
364K97.5Very high96.2Very high155 Ų15551.9 Ų51.967%0.67424%0.242SC*.  trans58.539.7-177.9-57.3176.1-176.71720113.1L359 E360 E362L359-K364 PolarHBondContact O-N 3.27Å; L359-K364 VanDerWaalsContact O-N 3.1Å; E360-K364 WeakPolarHBondContact O-CA 3.4Å; E362-K364 VanDerWaalsContact C-N 3.25Å; E362-K364 PolarHBondContact O-N 3.49Å
365I97.4Very high96.1Very high5 Ų555.9 Ų55.93%0.02626%0.256CS..  trans-93129.5179.7-66.6162.4000109.6L110 W350 L359 A363 E369 F370 I373 L437L110-I365 HydrophobicContact CD1-CD1 4.3Å; W350-I365 VanDerWaalsContact CH2-O 3.28Å; W350-I365 WeakPolarHBondContact CH2-O 3.34Å; W350-I365 HydrophobicContact CZ3-CG2 4.35Å; L359-I365 HydrophobicContact CD2-CD1 3.69Å; L359-I365 WeakPolarHBondContact O-CB 3.26Å; L359-I365 PolarHBondContact O-N 3.49Å; A363-I365 VanDerWaalsContact C-N 3.32Å; A363-I365 HydrophobicContact CB-CD1 3.57Å; A363-I365 HydrophobicContact CB-CG1 3.94Å; A363-I365 PolarHBondContact O-N 3.29Å; I365-E369 HydrophobicContact CG2-CB 4.02Å; I365-F370 HydrophobicContact CG2-CB 3.95Å; I365-I373 HydrophobicContact CD1-CD1 3.8Å; I365-I373 HydrophobicContact CG1-CD1 4.13Å; I365-I373 HydrophobicContact CG2-CD1 3.83Å; I365-L437 HydrophobicContact CD1-CD1 4.16Å; I365-L437 HydrophobicContact CD1-CD2 3.71Å; I365-L437 HydrophobicContact CD1-CG 4.06Å
366T95.3Very high96Very high73 Ų7355.8 Ų55.845%0.44826%0.255SS..  trans-84.5167.6174.464.60000112.4D368 E369 F370T366-D368 VanDerWaalsContact C-N 3.29Å; T366-D368 PolarHBondContact O-N 3.16Å; T366-E369 WeakPolarHBondContact CB-OE2 3.46Å; T366-E369 WeakPolarHBondContact CG2-OE2 3.04Å; T366-E369 PolarHBondContact N-OE2 3.24Å; T366-E369 PolarHBondContact O-N 3.2Å; T366-E369 WeakPolarHBondContact OG1-CB 3.49Å; T366-E369 VanDerWaalsContact OG1-CD 3.31Å; T366-E369 VanDerWaalsContact OG1-CG 3.27Å; T366-E369 WeakPolarHBondContact OG1-CG 3.25Å; T366-E369 PolarHBondContact OG1-N 3.5Å; T366-E369 PolarHBondContact OG1-OE2 2.73Å; T366-F370 WeakPolarHBondContact O-CB 3.24Å; T366-F370 PolarHBondContact O-N 3.42Å
367S94Very high96Very high30 Ų3051.3 Ų51.321%0.2124%0.238CC..Hα-helixtrans-58.7-39176.4-169.10000113.1W350 R371W350-S367 WeakPolarHBondContact CB-OG 3.25Å; S367-R371 WeakPolarHBondContact O-CG 3.42Å; S367-R371 PolarHBondContact O-N 2.98Å; S367-R371 PolarHBondContact OG-NH1 3.28Å; S367-R371 PolarHBondContact OG-NH2 3.31Å
368D92.6Very high95.8Very high85 Ų8545.9 Ų45.946%0.45522%0.217SC..Hα-helixtrans-73.1-41.3179.5-68.2-36.9000111.8T366 F370 R371 L372T366-D368 VanDerWaalsContact C-N 3.29Å; T366-D368 PolarHBondContact O-N 3.16Å; D368-F370 VanDerWaalsContact C-N 3.34Å; D368-F370 PolarHBondContact O-N 3.29Å; D368-R371 WeakPolarHBondContact O-CB 3.06Å; D368-R371 PolarHBondContact O-N 2.93Å; D368-R371 IonicContact OD1-CZ 2.83Å; D368-R371 IonicContact OD1-NH1 3.56Å; D368-R371 PolarHBondContact OD1-NH1 2.98Å; D368-L372 PolarHBondContact O-N 3.41Å
369E95.4Very high95.6Very high51 Ų5145.8 Ų45.824%0.23822%0.217CC..Hα-helixtrans-62.9-40.3173.5-71.7167.5142.700111.8L103 I365 T366 R371 L372 I373L103-E369 HydrophobicContact CD1-CB 3.89Å; L103-E369 HydrophobicContact CD1-CG 4.02Å; I365-E369 HydrophobicContact CG2-CB 4.02Å; T366-E369 WeakPolarHBondContact CB-OE2 3.46Å; T366-E369 WeakPolarHBondContact CG2-OE2 3.04Å; T366-E369 PolarHBondContact N-OE2 3.24Å; T366-E369 PolarHBondContact O-N 3.2Å; T366-E369 WeakPolarHBondContact OG1-CB 3.49Å; T366-E369 VanDerWaalsContact OG1-CD 3.31Å; T366-E369 VanDerWaalsContact OG1-CG 3.27Å; T366-E369 WeakPolarHBondContact OG1-CG 3.25Å; T366-E369 PolarHBondContact OG1-N 3.5Å; T366-E369 PolarHBondContact OG1-OE2 2.73Å; E369-R371 VanDerWaalsContact C-N 3.3Å; E369-R371 PolarHBondContact O-N 3.18Å; E369-L372 CarbonylContact O-C 3.56Å; E369-L372 WeakPolarHBondContact O-CB 3.43Å; E369-L372 PolarHBondContact O-N 2.93Å; E369-L372 VanDerWaalsContact O-N 3.08Å; E369-I373 WeakPolarHBondContact O-CG1 3.12Å; E369-I373 PolarHBondContact O-N 3.04Å
370F96.1Very high95.1Very high0 Ų046.8 Ų46.80%022%0.224CC..Hα-helixtrans-62-37.2176.1-175.5-94000112.6C348 W350 T353 L359 I365 T366 D368 L372 I373 S374 I438C348-F370 HydrophobicContact CB-CE1 4.06Å; C348-F370 HydrophobicContact CB-CZ 3.96Å; W350-F370 HydrophobicContact CB-CD1 4.11Å; W350-F370 HydrophobicContact CD2-CB 4.29Å; W350-F370 HydrophobicContact CE3-CB 3.34Å; W350-F370 AromaticContact CE3-CD1 3.87Å; W350-F370 HydrophobicContact CE3-CD1 3.87Å; W350-F370 AromaticContact CE3-CD2 3.88Å; W350-F370 HydrophobicContact CE3-CD2 3.88Å; W350-F370 AromaticContact CE3-CG 3.42Å; W350-F370 HydrophobicContact CE3-CG 3.42Å; W350-F370 VanDerWaalsContact CE3-CG 3.42Å; W350-F370 HydrophobicContact CZ3-CB 3.71Å; W350-F370 AromaticContact CZ3-CD2 3.99Å; W350-F370 HydrophobicContact CZ3-CD2 3.99Å; W350-F370 AromaticContact CZ3-CG 3.92Å; W350-F370 HydrophobicContact CZ3-CG 3.92Å; T353-F370 HydrophobicContact CG2-CE1 4.38Å; T353-F370 HydrophobicContact CG2-CE2 4.28Å; T353-F370 HydrophobicContact CG2-CZ 4.02Å; L359-F370 HydrophobicContact CD1-CD2 3.87Å; L359-F370 HydrophobicContact CD1-CE2 3.58Å; I365-F370 HydrophobicContact CG2-CB 3.95Å; T366-F370 WeakPolarHBondContact O-CB 3.24Å; T366-F370 PolarHBondContact O-N 3.42Å; D368-F370 VanDerWaalsContact C-N 3.34Å; D368-F370 PolarHBondContact O-N 3.29Å; F370-L372 VanDerWaalsContact C-N 3.28Å; F370-L372 PolarHBondContact O-N 3.17Å; F370-I373 PolarHBondContact O-N 3.36Å; F370-S374 VanDerWaalsContact O-CB 3.26Å; F370-S374 WeakPolarHBondContact O-CB 3.31Å; F370-S374 PolarHBondContact O-N 3.26Å; F370-I438 HydrophobicContact CE2-CG1 3.89Å; F370-I438 HydrophobicContact CZ-CG1 4.28Å
371R93.4Very high94.4Very high88 Ų8846.1 Ų46.133%0.33222%0.224SC..Hα-helixtrans-60.6-41173.7-71.2173.8-177.8106.611.9111S367 D368 E369 S374 Y375S367-R371 WeakPolarHBondContact O-CG 3.42Å; S367-R371 PolarHBondContact O-N 2.98Å; S367-R371 PolarHBondContact OG-NH1 3.28Å; S367-R371 PolarHBondContact OG-NH2 3.31Å; D368-R371 WeakPolarHBondContact O-CB 3.06Å; D368-R371 PolarHBondContact O-N 2.93Å; D368-R371 IonicContact OD1-CZ 2.83Å; D368-R371 IonicContact OD1-NH1 3.56Å; D368-R371 PolarHBondContact OD1-NH1 2.98Å; E369-R371 VanDerWaalsContact C-N 3.3Å; E369-R371 PolarHBondContact O-N 3.18Å; R371-S374 WeakPolarHBondContact O-CB 3.15Å; R371-Y375 PolarHBondContact O-N 3.34Å
372L95.5Very high93.6Very high11 Ų1144.1 Ų44.16%0.05822%0.224CC..Hα-helixtrans-70.5-42.1176.8-65.5171.5000112.3L92 V95 M100 L103 D368 E369 F370 S374 Y375 L376L92-L372 HydrophobicContact CD2-CD2 3.6Å; V95-L372 HydrophobicContact CB-CD2 4.44Å; V95-L372 HydrophobicContact CG1-CD1 3.83Å; V95-L372 HydrophobicContact CG1-CD2 4.1Å; V95-L372 HydrophobicContact CG2-CD2 3.98Å; M100-L372 HydrophobicContact CE-CD2 4.25Å; M100-L372 HydrophobicContact SD-CD2 4.47Å; L103-L372 HydrophobicContact CD2-CB 3.25Å; L103-L372 HydrophobicContact CD2-CD1 3.94Å; L103-L372 HydrophobicContact CD2-CG 4.23Å; D368-L372 PolarHBondContact O-N 3.41Å; E369-L372 CarbonylContact O-C 3.56Å; E369-L372 WeakPolarHBondContact O-CB 3.43Å; E369-L372 PolarHBondContact O-N 2.93Å; E369-L372 VanDerWaalsContact O-N 3.08Å; F370-L372 VanDerWaalsContact C-N 3.28Å; F370-L372 PolarHBondContact O-N 3.17Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 2.94Å; L372-Y375 CarbonylContact O-C 3.59Å; L372-Y375 WeakPolarHBondContact O-CB 3.23Å; L372-Y375 PolarHBondContact O-N 3.45Å; L372-Y375 VanDerWaalsContact O-N 3.12Å; L372-L376 WeakPolarHBondContact O-CB 3.14Å; L372-L376 VanDerWaalsContact O-CG 3.26Å; L372-L376 WeakPolarHBondContact O-CG 3.39Å; L372-L376 PolarHBondContact O-N 2.95Å
373I97.1Very high92.1Very high2 Ų241.6 Ų41.61%0.0123%0.23CC..Hα-helixtrans-57.4-46.3172.8-70.5164.9000110.2L103 I365 E369 F370 Y375 L376 S377 C434 L437 I438L103-I373 HydrophobicContact CD1-CD1 4.06Å; L103-I373 HydrophobicContact CD1-CG1 3.98Å; L103-I373 HydrophobicContact CD2-CG1 4.12Å; L103-I373 HydrophobicContact CG-CG1 4.27Å; I365-I373 HydrophobicContact CD1-CD1 3.8Å; I365-I373 HydrophobicContact CG1-CD1 4.13Å; I365-I373 HydrophobicContact CG2-CD1 3.83Å; E369-I373 WeakPolarHBondContact O-CG1 3.12Å; E369-I373 PolarHBondContact O-N 3.04Å; F370-I373 PolarHBondContact O-N 3.36Å; I373-Y375 VanDerWaalsContact C-N 3.34Å; I373-Y375 PolarHBondContact O-N 2.91Å; I373-L376 PolarHBondContact O-N 3.17Å; I373-S377 WeakPolarHBondContact O-CB 3.35Å; I373-S377 PolarHBondContact O-N 3.34Å; I373-C434 HydrophobicContact CG2-CB 3.78Å; I373-C434 WeakPolarHBondContact O-CB 3.34Å; I373-L437 HydrophobicContact CD1-CD2 3.88Å; I373-L437 HydrophobicContact CG2-CD2 4.4Å; I373-I438 HydrophobicContact CG2-CD1 4.12Å; I373-I438 HydrophobicContact CG2-CG1 4.1Å
374S95.5Very high90.5Very high7 Ų744.9 Ų44.95%0.04925%0.247CC..Hα-helixtrans-57.3-47.1174.7-178.60000110.6H345 S346 C348 F370 R371 L372 S377H345-S374 PolarHBondContact O-OG 3.03Å; S346-S374 WeakPolarHBondContact CA-O 3.44Å; S346-S374 WeakPolarHBondContact CA-OG 3.39Å; S346-S374 WeakPolarHBondContact CB-O 3.06Å; C348-S374 PolarHBondContact O-OG 2.88Å; C348-S374 VanDerWaalsContact O-OG 3.12Å; F370-S374 VanDerWaalsContact O-CB 3.26Å; F370-S374 WeakPolarHBondContact O-CB 3.31Å; F370-S374 PolarHBondContact O-N 3.26Å; R371-S374 WeakPolarHBondContact O-CB 3.15Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 2.94Å; S374-S377 WeakPolarHBondContact O-CB 3.47Å; S374-S377 PolarHBondContact O-N 2.96Å; S374-S377 PolarHBondContact O-OG 3.08Å
375Y93.7Very high88.5Confident96 Ų9646.7 Ų46.738%0.37626%0.255SS..Hα-helixtrans-61.3-51.7174.9172.3-103.2000113.3L92 R371 L372 I373 S377 S378L92-Y375 HydrophobicContact CD1-CD1 4.48Å; L92-Y375 HydrophobicContact CD1-CD2 3.39Å; L92-Y375 HydrophobicContact CD1-CE2 3.6Å; L92-Y375 HydrophobicContact CD1-CG 3.87Å; L92-Y375 HydrophobicContact CD2-CD1 3.93Å; L92-Y375 HydrophobicContact CD2-CD2 4.21Å; L92-Y375 HydrophobicContact CD2-CE1 4.43Å; L92-Y375 HydrophobicContact CD2-CG 3.8Å; L92-Y375 HydrophobicContact CG-CD2 4.47Å; R371-Y375 PolarHBondContact O-N 3.34Å; L372-Y375 CarbonylContact O-C 3.59Å; L372-Y375 WeakPolarHBondContact O-CB 3.23Å; L372-Y375 PolarHBondContact O-N 3.45Å; L372-Y375 VanDerWaalsContact O-N 3.12Å; I373-Y375 VanDerWaalsContact C-N 3.34Å; I373-Y375 PolarHBondContact O-N 2.91Å; Y375-S377 PolarHBondContact O-N 2.88Å; Y375-S378 WeakPolarHBondContact O-CB 3.18Å; Y375-S378 PolarHBondContact O-N 3.3Å; Y375-S378 VanDerWaalsContact O-N 3.11Å; Y375-S378 PolarHBondContact O-OG 3.27Å
376L95.1Very high86.5Confident0 Ų047.9 Ų47.90%026%0.263CS..Hα-helixtrans-61.1-29.6-178.6-71.1174000112.4M100 L103 I104 L372 I373 S378 W379 G431M100-L376 HydrophobicContact SD-CD1 4.02Å; M100-L376 HydrophobicContact SD-CD2 3.87Å; M100-L376 HydrophobicContact SD-CG 4.17Å; L103-L376 HydrophobicContact CD2-CD1 4.19Å; I104-L376 HydrophobicContact CG1-CD1 4.31Å; L372-L376 WeakPolarHBondContact O-CB 3.14Å; L372-L376 VanDerWaalsContact O-CG 3.26Å; L372-L376 WeakPolarHBondContact O-CG 3.39Å; L372-L376 PolarHBondContact O-N 2.95Å; I373-L376 PolarHBondContact O-N 3.17Å; L376-S378 PolarHBondContact O-N 3.25Å; L376-W379 HydrophobicContact CD2-CD2 3.89Å; L376-W379 HydrophobicContact CD2-CE3 3.87Å; L376-W379 HydrophobicContact CD2-CH2 3.43Å; L376-W379 VanDerWaalsContact CD2-CH2 3.43Å; L376-W379 HydrophobicContact CD2-CZ2 3.4Å; L376-W379 HydrophobicContact CD2-CZ3 3.66Å; L376-W379 WeakPolarHBondContact O-CB 3.42Å; L376-W379 PolarHBondContact O-N 3.18Å; L376-G431 WeakPolarHBondContact O-CA 3.4Å
377S95.4Very high84.3Confident1 Ų154.7 Ų54.71%0.00729%0.286CS..G310 helixtrans-53-28.9175.180.30000113.3H345 S346 I373 S374 Y375 W379 S380 K435H345-S377 WeakPolarHBondContact CB-OG 3.46Å; S346-S377 PolarHBondContact N-OG 2.84Å; I373-S377 WeakPolarHBondContact O-CB 3.35Å; I373-S377 PolarHBondContact O-N 3.34Å; S374-S377 WeakPolarHBondContact O-CB 3.47Å; S374-S377 PolarHBondContact O-N 2.96Å; S374-S377 PolarHBondContact O-OG 3.08Å; Y375-S377 PolarHBondContact O-N 2.88Å; S377-W379 VanDerWaalsContact C-N 3.28Å; S377-W379 PolarHBondContact O-N 3.33Å; S377-S380 PolarHBondContact O-N 3.44Å; S377-S380 PolarHBondContact O-OG 2.75Å; S377-K435 WeakPolarHBondContact O-CE 3.22Å
378S93Very high82.3Confident26 Ų2654.9 Ų54.918%0.18229%0.288CS..G310 helixtrans-66.9-23.8178.369.30000113.8Y375 L376 S380 V381 S382Y375-S378 WeakPolarHBondContact O-CB 3.18Å; Y375-S378 PolarHBondContact O-N 3.3Å; Y375-S378 VanDerWaalsContact O-N 3.11Å; Y375-S378 PolarHBondContact O-OG 3.27Å; L376-S378 PolarHBondContact O-N 3.25Å; S378-S380 PolarHBondContact O-N 3.45Å; S378-S380 VanDerWaalsContact O-N 3.09Å; S378-V381 WeakPolarHBondContact O-CG2 3.49Å; S378-V381 PolarHBondContact O-N 2.85Å; S378-S382 PolarHBondContact O-N 3.26Å; S378-S382 VanDerWaalsContact O-N 3.14Å; S378-S382 PolarHBondContact O-OG 3.18Å
379W92.8Very high80.3Confident32 Ų3255.8 Ų55.812%0.12130%0.301CS..G310 helixtrans-59.8-25.8-179.8-71.1-0.4000113.3I104 L376 S377 V381 L419 L422 K427 I430I104-W379 HydrophobicContact CD1-CH2 4.15Å; I104-W379 HydrophobicContact CD1-CZ3 4.1Å; L376-W379 HydrophobicContact CD2-CD2 3.89Å; L376-W379 HydrophobicContact CD2-CE3 3.87Å; L376-W379 HydrophobicContact CD2-CH2 3.43Å; L376-W379 VanDerWaalsContact CD2-CH2 3.43Å; L376-W379 HydrophobicContact CD2-CZ2 3.4Å; L376-W379 HydrophobicContact CD2-CZ3 3.66Å; L376-W379 WeakPolarHBondContact O-CB 3.42Å; L376-W379 PolarHBondContact O-N 3.18Å; S377-W379 VanDerWaalsContact C-N 3.28Å; S377-W379 PolarHBondContact O-N 3.33Å; W379-V381 VanDerWaalsContact C-N 3.27Å; W379-V381 PolarHBondContact O-N 3.12Å; W379-L419 HydrophobicContact CH2-CD1 4.12Å; W379-L422 HydrophobicContact CH2-CD2 4.47Å; W379-L422 HydrophobicContact CZ3-CD2 4.1Å; W379-K427 HydrophobicContact CB-CB 4.45Å; W379-K427 VanDerWaalsContact CB-O 3.27Å; W379-K427 WeakPolarHBondContact CB-O 3.36Å; W379-K427 HydrophobicContact CD2-CB 4.14Å; W379-K427 HydrophobicContact CD2-CG 4.31Å; W379-K427 HydrophobicContact CE3-CB 3.73Å; W379-K427 HydrophobicContact CE3-CG 3.81Å; W379-K427 HydrophobicContact CH2-CG 4.35Å; W379-K427 HydrophobicContact CZ3-CB 4.25Å; W379-K427 HydrophobicContact CZ3-CG 3.84Å; W379-I430 HydrophobicContact CE3-CB 4.33Å; W379-I430 HydrophobicContact CE3-CG2 4.2Å; W379-I430 HydrophobicContact CZ3-CG2 4.27Å
380S87.5Confident78.2Confident22 Ų2260.8 Ų60.815%0.15432%0.324CS..G310 helixtrans-70.2-19175.462.90000114.4S377 S378 K435S377-S380 PolarHBondContact O-N 3.44Å; S377-S380 PolarHBondContact O-OG 2.75Å; S378-S380 PolarHBondContact O-N 3.45Å; S378-S380 VanDerWaalsContact O-N 3.09Å; S380-K435 WeakPolarHBondContact OG-CD 3.35Å; S380-K435 WeakPolarHBondContact OG-CE 3.35Å; S380-K435 PolarHBondContact OG-NZ 2.88Å; S380-K435 VanDerWaalsContact OG-NZ 3.16Å
381V83.6Confident75.9Confident56 Ų5665.3 Ų65.334%0.33935%0.345SS..THydrogen-bonded Turntrans-120-6-174.7-62.90000113.9S378 W379 G383 P467S378-V381 WeakPolarHBondContact O-CG2 3.49Å; S378-V381 PolarHBondContact O-N 2.85Å; W379-V381 VanDerWaalsContact C-N 3.27Å; W379-V381 PolarHBondContact O-N 3.12Å; V381-G383 PolarHBondContact O-N 3.44Å; V381-P467 HydrophobicContact CB-CG 4.37Å; V381-P467 HydrophobicContact CG1-CB 3.94Å; V381-P467 HydrophobicContact CG1-CG 3.86Å
382S79.5Confident73.8Confident69 Ų6961.4 Ų61.448%0.48333%0.332SS..SBendtrans-65.511-176.2-65.60000115.5S378 L384S378-S382 PolarHBondContact O-N 3.26Å; S378-S382 VanDerWaalsContact O-N 3.14Å; S378-S382 PolarHBondContact O-OG 3.18Å; S382-L384 PolarHBondContact O-N 2.88Å
383G66.7Low71.8Confident64 Ų6465.2 Ų65.266%0.6635%0.352SS*.  trans6817.1179.200000113.9V381 K385V381-G383 PolarHBondContact O-N 3.44Å; G383-K385 PolarHBondContact O-N 3.3Å; G383-K385 VanDerWaalsContact O-N 3.11Å
384L64.5Low69.7Low70 Ų7068.9 Ų68.937%0.36637%0.372SS..  trans-64.8109.7174.6-60170.5000108.4S382 C386 V424 K427 V428S382-L384 PolarHBondContact O-N 2.88Å; L384-C386 PolarHBondContact O-N 3.1Å; L384-C386 VanDerWaalsContact O-N 3.12Å; L384-V424 HydrophobicContact CB-CG1 3.66Å; L384-K427 HydrophobicContact CD1-CB 4.18Å; L384-V428 HydrophobicContact CB-CG2 4.18Å
385K55.6Low67.4Low193 Ų19373.4 Ų73.484%0.83940%0.402SS*.  trans-78.494.4179.9-67.2-174.5179.1-177.20109.8G383 K387G383-K385 PolarHBondContact O-N 3.3Å; G383-K385 VanDerWaalsContact O-N 3.11Å; K385-K387 PolarHBondContact O-N 3.46Å
386C53.9Low65.3Low29 Ų2972.8 Ų72.820%0.19640%0.404CS..  trans-66126160.5178.10000107.1L384 S388 V424 C425L384-C386 PolarHBondContact O-N 3.1Å; L384-C386 VanDerWaalsContact O-N 3.12Å; C386-S388 PolarHBondContact O-N 3.43Å; C386-S388 VanDerWaalsContact O-N 3.11Å; C386-S388 PolarHBondContact SG-O 2.86Å; C386-V424 HydrophobicContact CB-CG1 4.22Å; C386-C425 HydrophobicContact CB-CB 4.14Å; C386-C425 WeakPolarHBondContact CB-SG 3.15Å; C386-C425 WeakPolarHBondContact SG-CB 3.33Å; C386-C425 CovalentContact SG-SG 2.04Å; C386-C425 PolarHBondContact SG-SG 3Å
387K50.2Low63Low216 Ų21677 Ų7794%0.93942%0.423SS*.SBendtrans-68.9-5.3-174.5-73.6-175.4178.8177.70113.7K385K385-K387 PolarHBondContact O-N 3.46Å
388S50.8Low60.8Low34 Ų3482.3 Ų82.324%0.23846%0.461CS..  trans-146.1109.5-179.2430000110.1C386 E390 Q391C386-S388 PolarHBondContact O-N 3.43Å; C386-S388 VanDerWaalsContact O-N 3.11Å; C386-S388 PolarHBondContact SG-O 2.86Å; S388-E390 PolarHBondContact O-N 3.47Å; S388-Q391 PolarHBondContact O-N 3.02Å; S388-Q391 WeakPolarHBondContact OG-CB 3.17Å; S388-Q391 VanDerWaalsContact OG-CG 3.31Å; S388-Q391 WeakPolarHBondContact OG-CG 3.35Å; S388-Q391 PolarHBondContact OG-OE1 2.79Å
389S50.9Low58.6Low105 Ų10585 Ų8573%0.73448%0.479SS*.THydrogen-bonded Turntrans-57.4-31178.545.80000113.2
390E50.5Low57Low156 Ų15685 Ų8573%0.72948%0.481SS*.THydrogen-bonded Turntrans-73.9-28.8-178.8-67.7172.4179.500113.4S388 A392S388-E390 PolarHBondContact O-N 3.47Å; E390-A392 PolarHBondContact O-N 3.19Å
391Q47.9Very low56.2Low94 Ų9488.4 Ų88.444%0.43950%0.495SS..THydrogen-bonded Turntrans-74-25.6-177.4-74.5-179.1-3.100113.6S388 N393 N394S388-Q391 PolarHBondContact O-N 3.02Å; S388-Q391 WeakPolarHBondContact OG-CB 3.17Å; S388-Q391 VanDerWaalsContact OG-CG 3.31Å; S388-Q391 WeakPolarHBondContact OG-CG 3.35Å; S388-Q391 PolarHBondContact OG-OE1 2.79Å; Q391-N393 PolarHBondContact O-N 3.29Å; Q391-N394 PolarHBondContact O-N 3.37Å
392A51.2Low56.1Low7 Ų788.8 Ų88.86%0.05850%0.5CS..THydrogen-bonded Turntrans-67-21.1-17700000113.6E390E390-A392 PolarHBondContact O-N 3.19Å
393N53.4Low56.7Low90 Ų9086.1 Ų86.148%0.48148%0.48SS..THydrogen-bonded Turntrans-102.9-14.2178.2-66.9-8.2000112.7Q391 R429 K432Q391-N393 PolarHBondContact O-N 3.29Å; N393-R429 PolarHBondContact O-NH1 2.92Å; N393-K432 PolarHBondContact OD1-NZ 3.34Å; N393-K432 VanDerWaalsContact OD1-NZ 3.1Å
394N52.2Low57.9Low79 Ų7985.7 Ų85.742%0.42246%0.462SS..SBendtrans-67143.1-178.7-78.7-19.6000111.6Q391 I396 R429Q391-N394 PolarHBondContact O-N 3.37Å; N394-I396 PolarHBondContact O-N 2.77Å; N394-R429 PolarHBondContact O-NH1 3.46Å
395P46.6Very low59.2Low103 Ų10389.6 Ų89.667%0.66948%0.476SS*.SBendtrans-57.7131173.6-20.631000111.2H397P395-H397 PolarHBondContact O-N 3.46Å
396I50.1Low61.1Low82 Ų8280.9 Ų80.942%0.42144%0.44SS..  trans1.2100.6169.3-55.6170.5000113.2N394 D400 Q401N394-I396 PolarHBondContact O-N 2.77Å; I396-D400 HydrophobicContact CG2-CB 4.22Å; I396-Q401 HydrophobicContact CG2-CG 3.61Å
397H46.7Very low63Low88 Ų8881.1 Ų81.141%0.40744%0.439SS..  trans-63.2146.9162.9-85.6-72.8000108.4P395 S399 D400P395-H397 PolarHBondContact O-N 3.46Å; H397-S399 PolarHBondContact O-N 3.21Å; H397-D400 PolarHBondContact N-OD2 3.11Å; H397-D400 WeakPolarHBondContact O-CB 3.46Å; H397-D400 PolarHBondContact O-N 2.96Å
398S48.9Very low65.1Low114 Ų11479.6 Ų79.680%0.79743%0.432SS*.THydrogen-bonded Turntrans-56.4-21.4-179.455.20000114.2
399S48Very low67.2Low81 Ų8180.8 Ų80.857%0.56644%0.441SS*.THydrogen-bonded Turntrans-69.3-27.6171.650.80000113.9H397 Q401 S402H397-S399 PolarHBondContact O-N 3.21Å; S399-Q401 VanDerWaalsContact C-N 3.35Å; S399-Q401 PolarHBondContact O-N 3.27Å; S399-S402 PolarHBondContact O-OG 3.45Å
400D59Low69.2Low32 Ų3278 Ų7817%0.17143%0.429CS..THydrogen-bonded Turntrans-80.6-15.9-172.3-60.4-25.7000112.6I396 H397 S402 Y403 V426I396-D400 HydrophobicContact CG2-CB 4.22Å; H397-D400 PolarHBondContact N-OD2 3.11Å; H397-D400 WeakPolarHBondContact O-CB 3.46Å; H397-D400 PolarHBondContact O-N 2.96Å; D400-S402 PolarHBondContact O-N 3.42Å; D400-Y403 WeakPolarHBondContact O-CD1 3.35Å; D400-Y403 VanDerWaalsContact O-CE1 3.26Å; D400-Y403 WeakPolarHBondContact O-CE1 3.41Å; D400-V426 HydrophobicContact CB-CG2 3.98Å; D400-V426 VanDerWaalsContact CG-CG2 3.47Å; D400-V426 WeakPolarHBondContact OD1-CG2 3.48Å
401Q70.4Confident71.3Confident94 Ų9474.1 Ų74.144%0.43941%0.413SS..THydrogen-bonded Turntrans-75.21.5175.5-63.7-171.1-6.800113.9I396 S399 Y403 L404 K405I396-Q401 HydrophobicContact CG2-CG 3.61Å; S399-Q401 VanDerWaalsContact C-N 3.35Å; S399-Q401 PolarHBondContact O-N 3.27Å; Q401-Y403 VanDerWaalsContact C-N 3.33Å; Q401-Y403 PolarHBondContact O-N 2.58Å; Q401-L404 HydrophobicContact CB-CD1 4.43Å; Q401-L404 HydrophobicContact CG-CD1 4.3Å; Q401-L404 WeakPolarHBondContact O-CB 3.41Å; Q401-L404 PolarHBondContact O-N 3.12Å; Q401-L404 VanDerWaalsContact O-N 3.17Å; Q401-K405 PolarHBondContact O-N 2.98Å
402S82.2Confident73.5Confident64 Ų6473.1 Ų73.145%0.44841%0.408SS..Hα-helixtrans-58.6-42.3179.759.10000112.2S399 D400 L404 K405 A406S399-S402 PolarHBondContact O-OG 3.45Å; D400-S402 PolarHBondContact O-N 3.42Å; S402-L404 VanDerWaalsContact C-N 3.31Å; S402-L404 PolarHBondContact O-N 2.85Å; S402-K405 WeakPolarHBondContact O-CB 3.34Å; S402-K405 PolarHBondContact O-N 2.79Å; S402-A406 PolarHBondContact O-N 3.38Å
403Y90.9Very high75.6Confident13 Ų1379.6 Ų79.65%0.05144%0.435CS..Hα-helixtrans-68.8-27.5178.280.7-94.7000113.1L101 I104 A105 D400 Q401 K405 A406 L407 L422L101-Y403 HydrophobicContact CD2-CD2 4Å; L101-Y403 HydrophobicContact CD2-CG 4.23Å; I104-Y403 HydrophobicContact CG2-CD2 4.46Å; I104-Y403 HydrophobicContact CG2-CE2 3.83Å; A105-Y403 HydrophobicContact CB-CE2 4.41Å; D400-Y403 WeakPolarHBondContact O-CD1 3.35Å; D400-Y403 VanDerWaalsContact O-CE1 3.26Å; D400-Y403 WeakPolarHBondContact O-CE1 3.41Å; Q401-Y403 VanDerWaalsContact C-N 3.33Å; Q401-Y403 PolarHBondContact O-N 2.58Å; Y403-K405 VanDerWaalsContact C-N 3.3Å; Y403-A406 PolarHBondContact O-N 3.37Å; Y403-L407 WeakPolarHBondContact O-CB 3.29Å; Y403-L407 PolarHBondContact O-N 3.2Å; Y403-L422 HydrophobicContact CD1-CD1 3.68Å; Y403-L422 HydrophobicContact CE1-CD1 4.39Å; Y403-L422 HydrophobicContact CG-CD1 4.21Å
404L92.1Very high77.6Confident55 Ų5580.1 Ų80.129%0.28844%0.435SS..Hα-helixtrans-68.8-32.4174.4-66.9174.9000111.4A105 Q401 S402 K408A105-L404 HydrophobicContact CB-CD2 4.04Å; Q401-L404 HydrophobicContact CB-CD1 4.43Å; Q401-L404 HydrophobicContact CG-CD1 4.3Å; Q401-L404 WeakPolarHBondContact O-CB 3.41Å; Q401-L404 PolarHBondContact O-N 3.12Å; Q401-L404 VanDerWaalsContact O-N 3.17Å; S402-L404 VanDerWaalsContact C-N 3.31Å; S402-L404 PolarHBondContact O-N 2.85Å; L404-K408 VanDerWaalsContact O-CG 3.29Å; L404-K408 WeakPolarHBondContact O-CG 3.13Å; L404-K408 PolarHBondContact O-N 3.08Å; L404-K408 VanDerWaalsContact O-N 3.09Å
405K92.6Very high79.7Confident153 Ų15376.3 Ų76.367%0.66541%0.414SS*.Hα-helixtrans-68.4-46173.5-63.6-178.4-173.5178.40110.9Q401 S402 Y403 L407 K408 S409Q401-K405 PolarHBondContact O-N 2.98Å; S402-K405 WeakPolarHBondContact O-CB 3.34Å; S402-K405 PolarHBondContact O-N 2.79Å; Y403-K405 VanDerWaalsContact C-N 3.3Å; K405-L407 VanDerWaalsContact C-N 3.33Å; K405-L407 PolarHBondContact O-N 3.32Å; K405-K408 WeakPolarHBondContact O-CB 3.18Å; K405-K408 PolarHBondContact O-N 2.88Å; K405-K408 VanDerWaalsContact O-N 3.16Å; K405-S409 PolarHBondContact O-N 3.44Å; K405-S409 VanDerWaalsContact O-N 3.13Å
406A94.2Very high82Confident9 Ų976.8 Ų76.87%0.07441%0.408CS..Hα-helixtrans-60.7-41.617400000111.9L101 S402 Y403 K408 S409 G410 E414 C415 A418L101-A406 HydrophobicContact CD1-CB 4.41Å; S402-A406 PolarHBondContact O-N 3.38Å; Y403-A406 PolarHBondContact O-N 3.37Å; A406-K408 VanDerWaalsContact C-N 3.26Å; A406-K408 PolarHBondContact O-N 3.21Å; A406-S409 PolarHBondContact O-N 3.24Å; A406-S409 PolarHBondContact O-OG 3.27Å; A406-G410 PolarHBondContact O-N 3.23Å; A406-E414 HydrophobicContact CB-CB 4.33Å; A406-C415 PolarHBondContact O-SG 3.36Å; A406-A418 HydrophobicContact CB-CB 3.6Å
407L94.8Very high84.1Confident35 Ų3576.9 Ų76.918%0.18341%0.409CS..Hα-helixtrans-62-34.7175.9-179.161.2000112.4V98 L101 R102 A105 Y403 K405 G410V98-L407 HydrophobicContact CG1-CD1 4.41Å; L101-L407 HydrophobicContact CB-CB 4.4Å; L101-L407 HydrophobicContact CB-CD1 4.09Å; R102-L407 HydrophobicContact CB-CD1 4.11Å; A105-L407 HydrophobicContact CB-CD2 3.9Å; Y403-L407 WeakPolarHBondContact O-CB 3.29Å; Y403-L407 PolarHBondContact O-N 3.2Å; K405-L407 VanDerWaalsContact C-N 3.33Å; K405-L407 PolarHBondContact O-N 3.32Å; L407-G410 PolarHBondContact O-N 3.06Å
408K94.6Very high86.3Confident184 Ų18473.4 Ų73.480%0.840%0.396SS*.Hα-helixtrans-71.3-31.7176.3-77174.8-177.8-176.60113.3L404 K405 A406 G410L404-K408 VanDerWaalsContact O-CG 3.29Å; L404-K408 WeakPolarHBondContact O-CG 3.13Å; L404-K408 PolarHBondContact O-N 3.08Å; L404-K408 VanDerWaalsContact O-N 3.09Å; K405-K408 WeakPolarHBondContact O-CB 3.18Å; K405-K408 PolarHBondContact O-N 2.88Å; K405-K408 VanDerWaalsContact O-N 3.16Å; A406-K408 VanDerWaalsContact C-N 3.26Å; A406-K408 PolarHBondContact O-N 3.21Å; K408-G410 PolarHBondContact O-N 3.37Å
409S93.7Very high88.4Confident59 Ų5969.4 Ų69.441%0.41337%0.365SS..Hα-helixtrans-68.7-29174.369.30000111.2K405 A406 D411 E414K405-S409 PolarHBondContact O-N 3.44Å; K405-S409 VanDerWaalsContact O-N 3.13Å; A406-S409 PolarHBondContact O-N 3.24Å; A406-S409 PolarHBondContact O-OG 3.27Å; S409-D411 PolarHBondContact O-N 3.11Å; S409-D411 PolarHBondContact OG-N 2.87Å; S409-E414 WeakPolarHBondContact CB-OE2 3.37Å; S409-E414 PolarHBondContact OG-OE2 3.25Å
410G92.7Very high90.5Very high47 Ų4772.3 Ų72.349%0.48537%0.369SS..  trans70.45.3-179.200000113.2A406 L407 K408A406-G410 PolarHBondContact O-N 3.23Å; L407-G410 PolarHBondContact O-N 3.06Å; K408-G410 PolarHBondContact O-N 3.37Å
411D95.1Very high92Very high74 Ų7476.4 Ų76.440%0.39639%0.391SS..  trans-78.6126.1177.9-178.980.5000110.1S409 K413 E414 C415S409-D411 PolarHBondContact O-N 3.11Å; S409-D411 PolarHBondContact OG-N 2.87Å; D411-K413 VanDerWaalsContact C-N 3.31Å; D411-K413 PolarHBondContact O-N 3.17Å; D411-K413 WeakPolarHBondContact OD2-CA 3.46Å; D411-K413 VanDerWaalsContact OD2-CB 3.3Å; D411-K413 WeakPolarHBondContact OD2-CB 3.26Å; D411-K413 PolarHBondContact OD2-N 3.15Å; D411-E414 HydrophobicContact CB-CB 4.1Å; D411-E414 HydrophobicContact CB-CG 4.07Å; D411-E414 PolarHBondContact O-N 2.59Å; D411-E414 PolarHBondContact OD2-N 3.28Å; D411-C415 WeakPolarHBondContact O-CB 3.35Å; D411-C415 PolarHBondContact O-N 2.9Å; D411-C415 PolarHBondContact O-SG 2.77Å
412E95.1Very high93Very high73 Ų7372.3 Ų72.334%0.34137%0.373SS..Hα-helixtrans-65.2-35-174.9179.857.6-156.100112.1S96 S97 V98 C415 Q416S96-E412 WeakPolarHBondContact CB-OE2 3.4Å; S97-E412 WeakPolarHBondContact CA-OE1 3.4Å; S97-E412 WeakPolarHBondContact CB-OE1 3.45Å; S97-E412 PolarHBondContact N-OE1 2.83Å; S97-E412 PolarHBondContact N-OE2 3.26Å; S97-E412 PolarHBondContact OG-OE1 3.44Å; V98-E412 VanDerWaalsContact CG2-OE2 3.28Å; V98-E412 WeakPolarHBondContact CG2-OE2 3.24Å; V98-E412 PolarHBondContact N-OE2 3.27Å; V98-E412 VanDerWaalsContact N-OE2 3.1Å; E412-C415 PolarHBondContact O-N 3.39Å; E412-Q416 VanDerWaalsContact O-CB 3.25Å; E412-Q416 WeakPolarHBondContact O-CB 3.44Å; E412-Q416 PolarHBondContact O-N 2.98Å
413K95Very high93.4Very high142 Ų14272.9 Ų72.962%0.61737%0.37SS*.Hα-helixtrans-72.9-44.8-179.8-174.8-178.3178.3-176.20110.9D411 C415 Q416 D417D411-K413 VanDerWaalsContact C-N 3.31Å; D411-K413 PolarHBondContact O-N 3.17Å; D411-K413 WeakPolarHBondContact OD2-CA 3.46Å; D411-K413 VanDerWaalsContact OD2-CB 3.3Å; D411-K413 WeakPolarHBondContact OD2-CB 3.26Å; D411-K413 PolarHBondContact OD2-N 3.15Å; K413-C415 VanDerWaalsContact C-N 3.3Å; K413-C415 PolarHBondContact O-N 2.91Å; K413-Q416 WeakPolarHBondContact O-CB 3.49Å; K413-Q416 PolarHBondContact O-N 2.95Å; K413-D417 PolarHBondContact O-N 2.95Å
414E95.2Very high93.3Very high101 Ų10174.5 Ų74.547%0.47238%0.382SS..Hα-helixtrans-60.1-41.7173-69.8-174.7-167.700111.6A406 S409 D411 D417 A418A406-E414 HydrophobicContact CB-CB 4.33Å; S409-E414 WeakPolarHBondContact CB-OE2 3.37Å; S409-E414 PolarHBondContact OG-OE2 3.25Å; D411-E414 HydrophobicContact CB-CB 4.1Å; D411-E414 HydrophobicContact CB-CG 4.07Å; D411-E414 PolarHBondContact O-N 2.59Å; D411-E414 PolarHBondContact OD2-N 3.28Å; E414-D417 PolarHBondContact O-N 3.32Å; E414-A418 VanDerWaalsContact O-CB 3.31Å; E414-A418 WeakPolarHBondContact O-CB 3.4Å; E414-A418 PolarHBondContact O-N 3.26Å
415C95.8Very high93.1Very high0 Ų072.5 Ų72.50%037%0.372CS..Hα-helixtrans-64.9-40.1175.5-72.40000112.1V98 L101 A406 D411 E412 K413 A418 L419V98-C415 HydrophobicContact CG2-CB 3.97Å; V98-C415 VanDerWaalsContact CG2-SG 3.57Å; L101-C415 HydrophobicContact CD1-CB 3.76Å; A406-C415 PolarHBondContact O-SG 3.36Å; D411-C415 WeakPolarHBondContact O-CB 3.35Å; D411-C415 PolarHBondContact O-N 2.9Å; D411-C415 PolarHBondContact O-SG 2.77Å; E412-C415 PolarHBondContact O-N 3.39Å; K413-C415 VanDerWaalsContact C-N 3.3Å; K413-C415 PolarHBondContact O-N 2.91Å; C415-A418 PolarHBondContact O-N 3.11Å; C415-L419 VanDerWaalsContact O-CB 3.22Å; C415-L419 WeakPolarHBondContact O-CB 3.44Å; C415-L419 PolarHBondContact O-N 3.36Å
416Q94.7Very high93Very high112 Ų11265.7 Ų65.752%0.52334%0.344SS..Hα-helixtrans-63.3-46.7177-173.5178.511.200111.2S97 E412 K413 L419 H420S97-Q416 WeakPolarHBondContact OG-CA 3.01Å; S97-Q416 WeakPolarHBondContact OG-CB 3.2Å; E412-Q416 VanDerWaalsContact O-CB 3.25Å; E412-Q416 WeakPolarHBondContact O-CB 3.44Å; E412-Q416 PolarHBondContact O-N 2.98Å; K413-Q416 WeakPolarHBondContact O-CB 3.49Å; K413-Q416 PolarHBondContact O-N 2.95Å; Q416-L419 PolarHBondContact O-N 3.37Å; Q416-H420 WeakPolarHBondContact O-CB 3.43Å; Q416-H420 PolarHBondContact O-N 3.34Å
417D94.3Very high93Very high84 Ų8467.3 Ų67.345%0.44935%0.349SS..Hα-helixtrans-63-43.6177.5-73-22.6000111.1K413 E414 H420 N421K413-D417 PolarHBondContact O-N 2.95Å; E414-D417 PolarHBondContact O-N 3.32Å; D417-H420 PolarHBondContact O-N 2.91Å; D417-N421 VanDerWaalsContact O-CB 3.31Å; D417-N421 WeakPolarHBondContact O-CB 3.43Å; D417-N421 VanDerWaalsContact O-CG 3.25Å; D417-N421 PolarHBondContact O-N 3.48Å; D417-N421 PolarHBondContact O-ND2 3.31Å
418A94.1Very high92.9Very high16 Ų1666.5 Ų66.513%0.13235%0.345CS..Hα-helixtrans-64.2-42.7176.200000112.6L101 A406 E414 C415 N421 L422L101-A418 HydrophobicContact CD1-CB 4.25Å; A406-A418 HydrophobicContact CB-CB 3.6Å; E414-A418 VanDerWaalsContact O-CB 3.31Å; E414-A418 WeakPolarHBondContact O-CB 3.4Å; E414-A418 PolarHBondContact O-N 3.26Å; C415-A418 PolarHBondContact O-N 3.11Å; A418-N421 CarbonylContact O-C 3.54Å; A418-N421 PolarHBondContact O-N 2.97Å; A418-L422 PolarHBondContact O-N 3.44Å
419L92.9Very high92.8Very high30 Ų3059.6 Ų59.616%0.15731%0.314CS..Hα-helixtrans-65.1-41.5177.417963.5000111.7M100 L101 I104 W379 C415 Q416 L422M100-L419 HydrophobicContact CB-CD2 3.97Å; M100-L419 HydrophobicContact CG-CD1 3.94Å; M100-L419 HydrophobicContact CG-CD2 3.83Å; L101-L419 HydrophobicContact CD2-CB 4.08Å; L101-L419 HydrophobicContact CD2-CD1 3.99Å; L101-L419 HydrophobicContact CG-CB 4.47Å; I104-L419 HydrophobicContact CD1-CD1 3.91Å; W379-L419 HydrophobicContact CH2-CD1 4.12Å; C415-L419 VanDerWaalsContact O-CB 3.22Å; C415-L419 WeakPolarHBondContact O-CB 3.44Å; C415-L419 PolarHBondContact O-N 3.36Å; Q416-L419 PolarHBondContact O-N 3.37Å; L419-L422 WeakPolarHBondContact O-CB 3.13Å; L419-L422 PolarHBondContact O-N 3.01Å
420H90.9Very high92.9Very high141 Ų14156.8 Ų56.865%0.65329%0.294SS*.Hα-helixtrans-60.9-48.4176178.2-88.5000111.1Q416 D417 L422 K427Q416-H420 WeakPolarHBondContact O-CB 3.43Å; Q416-H420 PolarHBondContact O-N 3.34Å; D417-H420 PolarHBondContact O-N 2.91Å; H420-L422 VanDerWaalsContact C-N 3.25Å; H420-L422 PolarHBondContact O-N 3.34Å; H420-K427 PolarHBondContact O-NZ 3.25Å
421N91.1Very high93Very high118 Ų11854.5 Ų54.563%0.63127%0.271SS*.THydrogen-bonded Turntrans-83.45.8-176.5-62.3-33.4000114.2D417 A418 D423D417-N421 VanDerWaalsContact O-CB 3.31Å; D417-N421 WeakPolarHBondContact O-CB 3.43Å; D417-N421 VanDerWaalsContact O-CG 3.25Å; D417-N421 PolarHBondContact O-N 3.48Å; D417-N421 PolarHBondContact O-ND2 3.31Å; A418-N421 CarbonylContact O-C 3.54Å; A418-N421 PolarHBondContact O-N 2.97Å; N421-D423 PolarHBondContact O-N 3.46Å
422L91Very high93.1Very high9 Ų954.1 Ų54.15%0.04727%0.266CS..  trans-60128.6178.4-169.572.8000110.1I104 W379 Y403 A418 L419 H420 V426 K427I104-L422 HydrophobicContact CD1-CD2 4.24Å; W379-L422 HydrophobicContact CH2-CD2 4.47Å; W379-L422 HydrophobicContact CZ3-CD2 4.1Å; Y403-L422 HydrophobicContact CD1-CD1 3.68Å; Y403-L422 HydrophobicContact CE1-CD1 4.39Å; Y403-L422 HydrophobicContact CG-CD1 4.21Å; A418-L422 PolarHBondContact O-N 3.44Å; L419-L422 WeakPolarHBondContact O-CB 3.13Å; L419-L422 PolarHBondContact O-N 3.01Å; H420-L422 VanDerWaalsContact C-N 3.25Å; H420-L422 PolarHBondContact O-N 3.34Å; L422-V426 HydrophobicContact CD1-CB 4.29Å; L422-V426 HydrophobicContact CD1-CG1 3.76Å; L422-V426 HydrophobicContact CD2-CG1 4.08Å; L422-V426 HydrophobicContact CG-CB 4.18Å; L422-V426 HydrophobicContact CG-CG1 3.92Å; L422-K427 HydrophobicContact CB-CG 4.48Å; L422-K427 HydrophobicContact CD2-CG 3.92Å; L422-K427 HydrophobicContact CG-CG 4.27Å; L422-K427 WeakPolarHBondContact O-CE 3.48Å; L422-K427 PolarHBondContact O-NZ 2.79Å
423D90Very high93.2Very high75 Ų7550.6 Ų50.640%0.40125%0.25SC..  trans-57.4147.7-175.8-178.9-95.3000112N421 C425 V426 K427N421-D423 PolarHBondContact O-N 3.46Å; D423-C425 VanDerWaalsContact C-N 3.33Å; D423-C425 PolarHBondContact O-N 2.99Å; D423-C425 WeakPolarHBondContact OD1-CA 3.11Å; D423-C425 WeakPolarHBondContact OD1-CB 2.98Å; D423-C425 PolarHBondContact OD1-N 3.45Å; D423-C425 PolarHBondContact OD1-SG 2.87Å; D423-V426 HydrophobicContact CB-CB 4.41Å; D423-V426 HydrophobicContact CB-CG2 4.05Å; D423-V426 PolarHBondContact O-N 3.36Å; D423-K427 PolarHBondContact O-N 3.48Å
424V89.5Confident93.4Very high48 Ų4843.9 Ų43.929%0.29122%0.22SC..Hα-helixtrans-60.2-42.9-178.8164.10000111.8L384 C386 V426 K427 V428L384-V424 HydrophobicContact CB-CG1 3.66Å; C386-V424 HydrophobicContact CB-CG1 4.22Å; V424-V426 VanDerWaalsContact C-N 3.32Å; V424-V426 PolarHBondContact O-N 2.96Å; V424-K427 PolarHBondContact O-N 3.01Å; V424-V428 WeakPolarHBondContact O-CG2 3.27Å; V424-V428 PolarHBondContact O-N 3.44Å
425C88.4Confident93.4Very high13 Ų1339.4 Ų39.49%0.08820%0.199CC..Hα-helixtrans-66.8-36.5-179.7-50.40000110.6C386 D423 V428 R429C386-C425 HydrophobicContact CB-CB 4.14Å; C386-C425 WeakPolarHBondContact CB-SG 3.15Å; C386-C425 WeakPolarHBondContact SG-CB 3.33Å; C386-C425 CovalentContact SG-SG 2.04Å; C386-C425 PolarHBondContact SG-SG 3Å; D423-C425 VanDerWaalsContact C-N 3.33Å; D423-C425 PolarHBondContact O-N 2.99Å; D423-C425 WeakPolarHBondContact OD1-CA 3.11Å; D423-C425 WeakPolarHBondContact OD1-CB 2.98Å; D423-C425 PolarHBondContact OD1-N 3.45Å; D423-C425 PolarHBondContact OD1-SG 2.87Å; C425-V428 PolarHBondContact O-N 2.9Å; C425-R429 WeakPolarHBondContact O-CB 3.19Å; C425-R429 PolarHBondContact O-N 2.88Å
426V90.9Very high93.5Very high10 Ų1040.1 Ų40.16%0.06120%0.202CC..Hα-helixtrans-64-46.7171.8-179.80000111.1D400 L422 D423 V424 V428 R429 I430D400-V426 HydrophobicContact CB-CG2 3.98Å; D400-V426 VanDerWaalsContact CG-CG2 3.47Å; D400-V426 WeakPolarHBondContact OD1-CG2 3.48Å; L422-V426 HydrophobicContact CD1-CB 4.29Å; L422-V426 HydrophobicContact CD1-CG1 3.76Å; L422-V426 HydrophobicContact CD2-CG1 4.08Å; L422-V426 HydrophobicContact CG-CB 4.18Å; L422-V426 HydrophobicContact CG-CG1 3.92Å; D423-V426 HydrophobicContact CB-CB 4.41Å; D423-V426 HydrophobicContact CB-CG2 4.05Å; D423-V426 PolarHBondContact O-N 3.36Å; V424-V426 VanDerWaalsContact C-N 3.32Å; V424-V426 PolarHBondContact O-N 2.96Å; V426-V428 VanDerWaalsContact C-N 3.31Å; V426-V428 PolarHBondContact O-N 2.86Å; V426-R429 WeakPolarHBondContact O-CB 3.48Å; V426-R429 PolarHBondContact O-N 3.49Å; V426-I430 HydrophobicContact CG1-CG1 4.23Å; V426-I430 WeakPolarHBondContact O-CG1 3.14Å; V426-I430 PolarHBondContact O-N 3.46Å
427K93.1Very high93.7Very high42 Ų4234.8 Ų34.818%0.18318%0.177CC..Hα-helixtrans-56.9-44.9176-72.2177.3-179.1164.40111.9W379 L384 H420 L422 D423 V424 G431W379-K427 HydrophobicContact CB-CB 4.45Å; W379-K427 VanDerWaalsContact CB-O 3.27Å; W379-K427 WeakPolarHBondContact CB-O 3.36Å; W379-K427 HydrophobicContact CD2-CB 4.14Å; W379-K427 HydrophobicContact CD2-CG 4.31Å; W379-K427 HydrophobicContact CE3-CB 3.73Å; W379-K427 HydrophobicContact CE3-CG 3.81Å; W379-K427 HydrophobicContact CH2-CG 4.35Å; W379-K427 HydrophobicContact CZ3-CB 4.25Å; W379-K427 HydrophobicContact CZ3-CG 3.84Å; L384-K427 HydrophobicContact CD1-CB 4.18Å; H420-K427 PolarHBondContact O-NZ 3.25Å; L422-K427 HydrophobicContact CB-CG 4.48Å; L422-K427 HydrophobicContact CD2-CG 3.92Å; L422-K427 HydrophobicContact CG-CG 4.27Å; L422-K427 WeakPolarHBondContact O-CE 3.48Å; L422-K427 PolarHBondContact O-NZ 2.79Å; D423-K427 PolarHBondContact O-N 3.48Å; V424-K427 PolarHBondContact O-N 3.01Å; K427-G431 PolarHBondContact O-N 3.31Å
428V92.7Very high93.9Very high18 Ų1830.8 Ų30.811%0.10916%0.156CC..Hα-helixtrans-62.5-45.2177.5169.80000111L384 V424 C425 V426 G431 K432L384-V428 HydrophobicContact CB-CG2 4.18Å; V424-V428 WeakPolarHBondContact O-CG2 3.27Å; V424-V428 PolarHBondContact O-N 3.44Å; C425-V428 PolarHBondContact O-N 2.9Å; V426-V428 VanDerWaalsContact C-N 3.31Å; V426-V428 PolarHBondContact O-N 2.86Å; V428-G431 PolarHBondContact O-N 3.1Å; V428-K432 WeakPolarHBondContact O-CG 3.31Å; V428-K432 PolarHBondContact O-N 3.27Å
429R92.9Very high94.1Very high39 Ų3930 Ų3015%0.14715%0.15CC..Hα-helixtrans-59.2-50.5177178.2179.3165.9120.95.7112E108 N393 N394 C425 V426 G431 K432 I433E108-R429 IonicContact OE1-CZ 3.72Å; E108-R429 IonicContact OE1-NE 3.96Å; E108-R429 PolarHBondContact OE1-NE 3.4Å; E108-R429 IonicContact OE2-CZ 3.92Å; E108-R429 IonicContact OE2-NE 2.9Å; E108-R429 PolarHBondContact OE2-NE 2.95Å; E108-R429 IonicContact OE2-NH2 3.58Å; E108-R429 PolarHBondContact OE2-NH2 2.9Å; N393-R429 PolarHBondContact O-NH1 2.92Å; N394-R429 PolarHBondContact O-NH1 3.46Å; C425-R429 WeakPolarHBondContact O-CB 3.19Å; C425-R429 PolarHBondContact O-N 2.88Å; V426-R429 WeakPolarHBondContact O-CB 3.48Å; V426-R429 PolarHBondContact O-N 3.49Å; R429-G431 VanDerWaalsContact C-N 3.3Å; R429-G431 PolarHBondContact O-N 3.35Å; R429-K432 WeakPolarHBondContact O-CB 3.49Å; R429-K432 PolarHBondContact O-N 3.13Å; R429-I433 HydrophobicContact CG-CD1 4.08Å; R429-I433 WeakPolarHBondContact O-CG1 3.48Å; R429-I433 PolarHBondContact O-N 3Å
430I95.4Very high94.3Very high0 Ų030.6 Ų30.60%015%0.15CC..Hα-helixtrans-57.6-44.3175.3-66.3-57.9000111I104 E108 W379 V426 K432 I433 C434I104-I430 HydrophobicContact CG1-CG2 4.21Å; I104-I430 HydrophobicContact CG2-CD1 3.7Å; I104-I430 HydrophobicContact CG2-CG1 4Å; E108-I430 HydrophobicContact CG-CD1 3.62Å; E108-I430 VanDerWaalsContact OE1-CD1 3.27Å; E108-I430 WeakPolarHBondContact OE1-CD1 3.45Å; W379-I430 HydrophobicContact CE3-CB 4.33Å; W379-I430 HydrophobicContact CE3-CG2 4.2Å; W379-I430 HydrophobicContact CZ3-CG2 4.27Å; V426-I430 HydrophobicContact CG1-CG1 4.23Å; V426-I430 WeakPolarHBondContact O-CG1 3.14Å; V426-I430 PolarHBondContact O-N 3.46Å; I430-K432 VanDerWaalsContact C-N 3.29Å; I430-K432 PolarHBondContact O-N 2.88Å; I430-I433 HydrophobicContact CD1-CD1 4.4Å; I430-I433 PolarHBondContact O-N 2.83Å; I430-I433 VanDerWaalsContact O-N 3.17Å; I430-C434 PolarHBondContact O-N 3.2Å; I430-C434 PolarHBondContact O-SG 3.36Å; I430-C434 VanDerWaalsContact O-SG 3.33Å
431G95.7Very high94.7Very high0 Ų023.9 Ų23.90%012%0.118CC..Hα-helixtrans-57.9-41.1175.500000112.7L376 K427 V428 R429 K435L376-G431 WeakPolarHBondContact O-CA 3.4Å; K427-G431 PolarHBondContact O-N 3.31Å; V428-G431 PolarHBondContact O-N 3.1Å; R429-G431 VanDerWaalsContact C-N 3.3Å; R429-G431 PolarHBondContact O-N 3.35Å; G431-K435 WeakPolarHBondContact O-CG 3.4Å; G431-K435 PolarHBondContact O-N 3.35Å
432K96.1Very high95Very high65 Ų6518.2 Ų18.228%0.2839%0.088SC..Hα-helixtrans-64.4-46.9175-68.7175.3178.3178.10110.9I117 N393 V428 R429 I430 C434 K435 R436I117-K432 HydrophobicContact CD1-CB 3.67Å; N393-K432 PolarHBondContact OD1-NZ 3.34Å; N393-K432 VanDerWaalsContact OD1-NZ 3.1Å; V428-K432 WeakPolarHBondContact O-CG 3.31Å; V428-K432 PolarHBondContact O-N 3.27Å; R429-K432 WeakPolarHBondContact O-CB 3.49Å; R429-K432 PolarHBondContact O-N 3.13Å; I430-K432 VanDerWaalsContact C-N 3.29Å; I430-K432 PolarHBondContact O-N 2.88Å; K432-C434 PolarHBondContact O-N 3.36Å; K432-K435 WeakPolarHBondContact O-CB 3.47Å; K432-K435 PolarHBondContact O-N 2.68Å; K432-K435 VanDerWaalsContact O-N 3.17Å; K432-R436 WeakPolarHBondContact O-CG 3.48Å; K432-R436 PolarHBondContact O-N 3.29Å
433I97.8Very high95.3Very high0 Ų017.9 Ų17.90%09%0.086CC..Hα-helixtrans-57.4-48.8178.5-69.6169000110.9S107 E108 N111 L116 I117 R429 I430 K435 R436 L437S107-I433 VanDerWaalsContact O-CG2 3.29Å; S107-I433 WeakPolarHBondContact O-CG2 3.31Å; E108-I433 VanDerWaalsContact CD-CD1 3.42Å; E108-I433 HydrophobicContact CG-CD1 4.25Å; E108-I433 WeakPolarHBondContact OE1-CD1 3.35Å; N111-I433 HydrophobicContact CB-CD1 3.79Å; N111-I433 HydrophobicContact CB-CG1 3.91Å; N111-I433 HydrophobicContact CB-CG2 3.89Å; L116-I433 HydrophobicContact CD1-CG2 4.46Å; I117-I433 HydrophobicContact CD1-CG1 4.25Å; I117-I433 HydrophobicContact CG1-CG1 3.89Å; R429-I433 HydrophobicContact CG-CD1 4.08Å; R429-I433 WeakPolarHBondContact O-CG1 3.48Å; R429-I433 PolarHBondContact O-N 3Å; I430-I433 HydrophobicContact CD1-CD1 4.4Å; I430-I433 PolarHBondContact O-N 2.83Å; I430-I433 VanDerWaalsContact O-N 3.17Å; I433-K435 VanDerWaalsContact C-N 3.28Å; I433-K435 PolarHBondContact O-N 2.9Å; I433-R436 PolarHBondContact O-N 2.93Å; I433-R436 VanDerWaalsContact O-N 3.08Å; I433-L437 WeakPolarHBondContact O-CB 3.44Å; I433-L437 PolarHBondContact O-N 3.12Å
434C97.8Very high95.7Very high0 Ų015.2 Ų15.20%07%0.072CC..Hα-helixtrans-58.5-39.4178.2-680000112.3I373 I430 K432 I438I373-C434 HydrophobicContact CG2-CB 3.78Å; I373-C434 WeakPolarHBondContact O-CB 3.34Å; I430-C434 PolarHBondContact O-N 3.2Å; I430-C434 PolarHBondContact O-SG 3.36Å; I430-C434 VanDerWaalsContact O-SG 3.33Å; K432-C434 PolarHBondContact O-N 3.36Å; C434-I438 WeakPolarHBondContact O-CG1 3.29Å; C434-I438 PolarHBondContact O-N 3.48Å
435K97.2Very high96.2Very high8 Ų814.1 Ų14.14%0.0356%0.063CC..Hα-helixtrans-62.6-48.2172.9-70.4-177.4164.6-173.60112H345 S377 S380 G431 K432 I433 L437 I438 D439 E468H345-K435 HydrophobicContact CB-CG 4.05Å; S377-K435 WeakPolarHBondContact O-CE 3.22Å; S380-K435 WeakPolarHBondContact OG-CD 3.35Å; S380-K435 WeakPolarHBondContact OG-CE 3.35Å; S380-K435 PolarHBondContact OG-NZ 2.88Å; S380-K435 VanDerWaalsContact OG-NZ 3.16Å; G431-K435 WeakPolarHBondContact O-CG 3.4Å; G431-K435 PolarHBondContact O-N 3.35Å; K432-K435 WeakPolarHBondContact O-CB 3.47Å; K432-K435 PolarHBondContact O-N 2.68Å; K432-K435 VanDerWaalsContact O-N 3.17Å; I433-K435 VanDerWaalsContact C-N 3.28Å; I433-K435 PolarHBondContact O-N 2.9Å; K435-L437 VanDerWaalsContact C-N 3.3Å; K435-L437 PolarHBondContact O-N 3Å; K435-I438 PolarHBondContact O-N 3.46Å; K435-D439 PolarHBondContact O-N 3.01Å; K435-E468 IonicContact NZ-OE1 3.53Å; K435-E468 PolarHBondContact NZ-OE1 3.16Å; K435-E468 IonicContact NZ-OE2 3.4Å; K435-E468 PolarHBondContact NZ-OE2 3.09Å
436R97.7Very high96.7Very high15 Ų1513.5 Ų13.56%0.0576%0.059CC..Hα-helixtrans-62.6-38.3-179.5-63.5-54.191.2-137.2-2.8111.8L116 I117 K432 I433 D439 W440L116-R436 HydrophobicContact CB-CB 3.8Å; L116-R436 HydrophobicContact CB-CG 4.48Å; L116-R436 WeakPolarHBondContact O-CG 3.33Å; I117-R436 HydrophobicContact CD1-CG 3.75Å; K432-R436 WeakPolarHBondContact O-CG 3.48Å; K432-R436 PolarHBondContact O-N 3.29Å; I433-R436 PolarHBondContact O-N 2.93Å; I433-R436 VanDerWaalsContact O-N 3.08Å; R436-D439 IonicContact CZ-OD2 2.9Å; R436-D439 IonicContact NH1-OD2 2.68Å; R436-D439 PolarHBondContact NH1-OD2 3.39Å; R436-D439 IonicContact NH2-OD2 3.26Å; R436-D439 PolarHBondContact NH2-OD2 3.19Å; R436-D439 CarbonylContact O-C 3.56Å; R436-D439 PolarHBondContact O-N 3.18Å; R436-W440 VanDerWaalsContact O-CB 3.29Å; R436-W440 WeakPolarHBondContact O-CB 3.46Å; R436-W440 PolarHBondContact O-N 2.9Å
437L98.2Very high97Very high0 Ų017 Ų170%07%0.073CC..Hα-helixtrans-62.6-43.2177.5-178.658000112.3L110 L116 W358 L359 I365 I373 I433 K435 W440 G441L110-L437 HydrophobicContact CD1-CD1 3.99Å; L110-L437 HydrophobicContact CD1-CD2 3.99Å; L116-L437 HydrophobicContact CD1-CB 3.97Å; L116-L437 HydrophobicContact CD1-CD1 4.15Å; W358-L437 HydrophobicContact CH2-CD1 4.09Å; W358-L437 HydrophobicContact CZ3-CD1 3.93Å; L359-L437 HydrophobicContact CD2-CD1 4.39Å; L359-L437 HydrophobicContact CD2-CG 4.32Å; I365-L437 HydrophobicContact CD1-CD1 4.16Å; I365-L437 HydrophobicContact CD1-CD2 3.71Å; I365-L437 HydrophobicContact CD1-CG 4.06Å; I373-L437 HydrophobicContact CD1-CD2 3.88Å; I373-L437 HydrophobicContact CG2-CD2 4.4Å; I433-L437 WeakPolarHBondContact O-CB 3.44Å; I433-L437 PolarHBondContact O-N 3.12Å; K435-L437 VanDerWaalsContact C-N 3.3Å; K435-L437 PolarHBondContact O-N 3Å; L437-W440 PolarHBondContact O-N 3.04Å; L437-G441 PolarHBondContact O-N 3.47Å
438I98Very high97.2Very high0 Ų020.8 Ų20.80%09%0.091CC..Hα-helixtrans-63-46.7173.6-66.8166.1000110.4H345 F370 I373 C434 K435 W440 G441 R442H345-I438 HydrophobicContact CB-CD1 4Å; F370-I438 HydrophobicContact CE2-CG1 3.89Å; F370-I438 HydrophobicContact CZ-CG1 4.28Å; I373-I438 HydrophobicContact CG2-CD1 4.12Å; I373-I438 HydrophobicContact CG2-CG1 4.1Å; C434-I438 WeakPolarHBondContact O-CG1 3.29Å; C434-I438 PolarHBondContact O-N 3.48Å; K435-I438 PolarHBondContact O-N 3.46Å; I438-W440 VanDerWaalsContact C-N 3.31Å; I438-W440 PolarHBondContact O-N 3.03Å; I438-G441 PolarHBondContact O-N 2.93Å; I438-R442 PolarHBondContact O-N 3.33Å
439D97.9Very high97.5Very high0 Ų023.8 Ų23.80%010%0.104CC..Hα-helixtrans-66.6-32.8-179.8-69.5-21.1000112.5V342 H345 K435 R436 R442 L443 I472V342-D439 WeakPolarHBondContact CG2-OD2 3.33Å; H345-D439 IonicContact CD2-OD1 3.89Å; H345-D439 IonicContact CE1-OD1 2.8Å; H345-D439 IonicContact CE1-OD2 3.85Å; H345-D439 IonicContact NE2-OD1 3.87Å; H345-D439 PolarHBondContact NE2-OD1 3.14Å; H345-D439 IonicContact NE2-OD2 3.69Å; H345-D439 PolarHBondContact NE2-OD2 3.31Å; K435-D439 PolarHBondContact O-N 3.01Å; R436-D439 IonicContact CZ-OD2 2.9Å; R436-D439 IonicContact NH1-OD2 2.68Å; R436-D439 PolarHBondContact NH1-OD2 3.39Å; R436-D439 IonicContact NH2-OD2 3.26Å; R436-D439 PolarHBondContact NH2-OD2 3.19Å; R436-D439 CarbonylContact O-C 3.56Å; R436-D439 PolarHBondContact O-N 3.18Å; D439-R442 CarbonylContact O-C 3.52Å; D439-R442 WeakPolarHBondContact O-CA 3.47Å; D439-R442 WeakPolarHBondContact O-CB 3.47Å; D439-R442 PolarHBondContact O-N 2.89Å; D439-R442 VanDerWaalsContact O-N 3.12Å; D439-R442 IonicContact OD1-CZ 2.91Å; D439-R442 IonicContact OD1-NH1 2.95Å; D439-R442 PolarHBondContact OD1-NH1 3.44Å; D439-L443 WeakPolarHBondContact O-CG 3.09Å; D439-L443 PolarHBondContact O-N 3.46Å; D439-I472 HydrophobicContact CB-CG2 4.08Å
440W98.2Very high97.7Very high41 Ų4122.7 Ų22.716%0.15510%0.101CC..Hα-helixtrans-63.8-43.6174.1-172.8-100.1000111.3L116 W358 R436 L437 I438 R442 L443 M444L116-W440 HydrophobicContact CD2-CB 3.75Å; L116-W440 HydrophobicContact CD2-CD2 4.14Å; L116-W440 HydrophobicContact CD2-CG 3.81Å; W358-W440 AromaticContact CE2-CD1 3.68Å; W358-W440 AromaticContact CE2-NE1 3.67Å; W358-W440 AromaticContact CH2-CD1 3.24Å; W358-W440 HydrophobicContact CH2-CG 4.37Å; W358-W440 AromaticContact CH2-NE1 3.79Å; W358-W440 AromaticContact CZ2-CD1 3.26Å; W358-W440 AromaticContact CZ2-NE1 3.3Å; W358-W440 VanDerWaalsContact CZ2-NE1 3.3Å; W358-W440 AromaticContact CZ3-CD1 3.62Å; R436-W440 VanDerWaalsContact O-CB 3.29Å; R436-W440 WeakPolarHBondContact O-CB 3.46Å; R436-W440 PolarHBondContact O-N 2.9Å; L437-W440 PolarHBondContact O-N 3.04Å; I438-W440 VanDerWaalsContact C-N 3.31Å; I438-W440 PolarHBondContact O-N 3.03Å; W440-R442 PolarHBondContact O-N 3.34Å; W440-L443 HydrophobicContact CE3-CD1 3.97Å; W440-L443 HydrophobicContact CZ3-CD1 4.23Å; W440-L443 WeakPolarHBondContact O-CB 3.26Å; W440-L443 PolarHBondContact O-N 3.36Å; W440-L443 VanDerWaalsContact O-N 3.1Å; W440-M444 HydrophobicContact CD2-CE 4.18Å; W440-M444 HydrophobicContact CE3-CE 4.4Å; W440-M444 HydrophobicContact CH2-CE 3.81Å; W440-M444 HydrophobicContact CZ2-CE 3.55Å; W440-M444 HydrophobicContact CZ2-SD 4.24Å; W440-M444 HydrophobicContact CZ3-CE 4.18Å; W440-M444 WeakPolarHBondContact O-CG 3.36Å; W440-M444 PolarHBondContact O-N 2.91Å
441G98.2Very high97.8Very high0 Ų028.7 Ų28.70%013%0.133CC..Hα-helixtrans-55.7-40.6170.400000112.4G355 L437 I438 M444 Y445G355-G441 VanDerWaalsContact CA-C 3.42Å; G355-G441 WeakPolarHBondContact CA-O 3.36Å; L437-G441 PolarHBondContact O-N 3.47Å; I438-G441 PolarHBondContact O-N 2.93Å; G441-M444 PolarHBondContact O-N 3.21Å; G441-Y445 PolarHBondContact O-N 3.48Å
442R98Very high97.9Very high0 Ų028.7 Ų28.70%013%0.133CC..Hα-helixtrans-65.8-41.2174.9-66.6170.2173.6159.2-8.9112.3G316 D320 L323 C348 I438 D439 W440 Y445 I446 I472G316-R442 PolarHBondContact O-NH2 2.81Å; D320-R442 IonicContact OD1-CZ 2.68Å; D320-R442 IonicContact OD1-NE 2.67Å; D320-R442 PolarHBondContact OD1-NE 3.49Å; D320-R442 VanDerWaalsContact OD1-NE 3.07Å; D320-R442 IonicContact OD1-NH2 2.72Å; D320-R442 IonicContact OD2-CZ 2.93Å; D320-R442 IonicContact OD2-NE 3.08Å; D320-R442 PolarHBondContact OD2-NE 2.89Å; D320-R442 IonicContact OD2-NH2 2.77Å; D320-R442 PolarHBondContact OD2-NH2 3.05Å; L323-R442 HydrophobicContact CD1-CB 3.94Å; L323-R442 HydrophobicContact CD1-CG 4.07Å; C348-R442 PolarHBondContact SG-NH2 3.49Å; I438-R442 PolarHBondContact O-N 3.33Å; D439-R442 CarbonylContact O-C 3.52Å; D439-R442 WeakPolarHBondContact O-CA 3.47Å; D439-R442 WeakPolarHBondContact O-CB 3.47Å; D439-R442 PolarHBondContact O-N 2.89Å; D439-R442 VanDerWaalsContact O-N 3.12Å; D439-R442 IonicContact OD1-CZ 2.91Å; D439-R442 IonicContact OD1-NH1 2.95Å; D439-R442 PolarHBondContact OD1-NH1 3.44Å; W440-R442 PolarHBondContact O-N 3.34Å; R442-Y445 WeakPolarHBondContact O-CB 3.28Å; R442-Y445 PolarHBondContact O-N 3.39Å; R442-I446 WeakPolarHBondContact O-CD1 3.36Å; R442-I446 VanDerWaalsContact O-CG1 3.25Å; R442-I446 WeakPolarHBondContact O-CG1 3.32Å; R442-I446 PolarHBondContact O-N 2.97Å; R442-I472 HydrophobicContact CB-CD1 4.2Å
443L98.5Very high98Very high1 Ų128.6 Ų28.61%0.00514%0.139CC..Hα-helixtrans-63.1-41175.5-72.1179.5000112D439 W440 Y445 I446 K447 I455 S457 I472D439-L443 WeakPolarHBondContact O-CG 3.09Å; D439-L443 PolarHBondContact O-N 3.46Å; W440-L443 HydrophobicContact CE3-CD1 3.97Å; W440-L443 HydrophobicContact CZ3-CD1 4.23Å; W440-L443 WeakPolarHBondContact O-CB 3.26Å; W440-L443 PolarHBondContact O-N 3.36Å; W440-L443 VanDerWaalsContact O-N 3.1Å; L443-Y445 VanDerWaalsContact C-N 3.34Å; L443-I446 HydrophobicContact CD2-CD1 4.4Å; L443-I446 PolarHBondContact O-N 3.1Å; L443-K447 WeakPolarHBondContact O-CB 3.34Å; L443-K447 PolarHBondContact O-N 2.86Å; L443-I455 HydrophobicContact CB-CD1 4.03Å; L443-I455 HydrophobicContact CD2-CB 4.09Å; L443-I455 HydrophobicContact CD2-CG2 4.28Å; L443-S457 WeakPolarHBondContact CD1-OG 3.37Å; L443-I472 HydrophobicContact CD2-CB 3.77Å; L443-I472 HydrophobicContact CD2-CG2 3.91Å; L443-I472 HydrophobicContact CG-CB 4.49Å; L443-I472 HydrophobicContact CG-CG2 4.09Å
444M98.5Very high98Very high19 Ų1933 Ų339%0.09416%0.162CC..Hα-helixtrans-63.9-41.1174.9-64.3-59.8102.100111.4W358 W440 G441 K447 H448 I455W358-M444 HydrophobicContact CB-CB 4.03Å; W358-M444 HydrophobicContact CB-CG 4.45Å; W358-M444 HydrophobicContact CD2-CB 4.46Å; W358-M444 HydrophobicContact CD2-CG 3.96Å; W358-M444 HydrophobicContact CG-CB 3.81Å; W358-M444 HydrophobicContact CG-CG 3.7Å; W440-M444 HydrophobicContact CD2-CE 4.18Å; W440-M444 HydrophobicContact CE3-CE 4.4Å; W440-M444 HydrophobicContact CH2-CE 3.81Å; W440-M444 HydrophobicContact CZ2-CE 3.55Å; W440-M444 HydrophobicContact CZ2-SD 4.24Å; W440-M444 HydrophobicContact CZ3-CE 4.18Å; W440-M444 WeakPolarHBondContact O-CG 3.36Å; W440-M444 PolarHBondContact O-N 2.91Å; G441-M444 PolarHBondContact O-N 3.21Å; M444-K447 PolarHBondContact O-N 3.31Å; M444-H448 WeakPolarHBondContact O-CB 3.47Å; M444-H448 PolarHBondContact O-CD2 3.43Å; M444-H448 PolarHBondContact O-N 2.85Å; M444-I455 HydrophobicContact CE-CD1 3.37Å
445Y98.6Very high98.1Very high26 Ų2634.8 Ų34.810%0.10217%0.172CC..Hα-helixtrans-60.1-47.1172-177.7-87.6000111.8L323 R324 K327 A354 G441 R442 L443 K447 H448 E449 L450L323-Y445 HydrophobicContact CB-CD1 4.06Å; L323-Y445 HydrophobicContact CB-CE1 3.84Å; L323-Y445 HydrophobicContact CD1-CD1 4.41Å; R324-Y445 VanDerWaalsContact CG-OH 3.24Å; R324-Y445 WeakPolarHBondContact CG-OH 3.48Å; K327-Y445 WeakPolarHBondContact CB-OH 3.41Å; K327-Y445 HydrophobicContact CD-CE2 4.37Å; K327-Y445 WeakPolarHBondContact CD-OH 3.41Å; A354-Y445 HydrophobicContact CB-CD1 3.98Å; A354-Y445 HydrophobicContact CB-CD2 3.97Å; A354-Y445 HydrophobicContact CB-CE1 4.25Å; A354-Y445 HydrophobicContact CB-CE2 4.2Å; A354-Y445 HydrophobicContact CB-CG 3.82Å; A354-Y445 WeakPolarHBondContact O-CD2 3.34Å; G441-Y445 PolarHBondContact O-N 3.48Å; R442-Y445 WeakPolarHBondContact O-CB 3.28Å; R442-Y445 PolarHBondContact O-N 3.39Å; L443-Y445 VanDerWaalsContact C-N 3.34Å; Y445-K447 PolarHBondContact O-N 3.44Å; Y445-H448 PolarHBondContact O-N 3.5Å; Y445-E449 HydrophobicContact CD1-CB 4.28Å; Y445-E449 HydrophobicContact CD2-CB 4.09Å; Y445-E449 HydrophobicContact CD2-CG 3.65Å; Y445-E449 HydrophobicContact CE1-CB 4.18Å; Y445-E449 HydrophobicContact CE2-CB 4.02Å; Y445-E449 HydrophobicContact CE2-CG 3.8Å; Y445-E449 HydrophobicContact CG-CB 4.25Å; Y445-E449 HydrophobicContact CG-CG 4.15Å; Y445-E449 WeakPolarHBondContact O-CA 3.46Å; Y445-E449 WeakPolarHBondContact O-CB 3.5Å; Y445-E449 PolarHBondContact O-N 2.94Å; Y445-L450 HydrophobicContact CE1-CG 4.3Å
446I98.6Very high98.1Very high0 Ų035.6 Ų35.60%018%0.178CC..Hα-helixtrans-60.8-46.5178.6-68.8160.5000111L323 I338 R442 L443 H448 L450 N451 L452 I455 I472 A474L323-I446 HydrophobicContact CD1-CD1 4.31Å; L323-I446 HydrophobicContact CD1-CG1 4.24Å; L323-I446 HydrophobicContact CD2-CD1 3.84Å; L323-I446 HydrophobicContact CD2-CG1 3.66Å; I338-I446 HydrophobicContact CD1-CD1 4.49Å; I338-I446 HydrophobicContact CD1-CG1 4.22Å; I338-I446 HydrophobicContact CD1-CG2 4.09Å; R442-I446 WeakPolarHBondContact O-CD1 3.36Å; R442-I446 VanDerWaalsContact O-CG1 3.25Å; R442-I446 WeakPolarHBondContact O-CG1 3.32Å; R442-I446 PolarHBondContact O-N 2.97Å; L443-I446 HydrophobicContact CD2-CD1 4.4Å; L443-I446 PolarHBondContact O-N 3.1Å; I446-H448 PolarHBondContact O-N 3.37Å; I446-L450 HydrophobicContact CG1-CD1 4.12Å; I446-L450 HydrophobicContact CG2-CD1 4.5Å; I446-L450 CarbonylContact O-C 3.59Å; I446-L450 WeakPolarHBondContact O-CA 3.43Å; I446-L450 VanDerWaalsContact O-CB 3.32Å; I446-L450 WeakPolarHBondContact O-CB 3.5Å; I446-L450 PolarHBondContact O-N 2.69Å; I446-N451 PolarHBondContact O-N 3Å; I446-L452 HydrophobicContact CG2-CB 3.92Å; I446-L452 HydrophobicContact CG2-CD1 4.12Å; I446-L452 HydrophobicContact CG2-CG 4.5Å; I446-L452 PolarHBondContact O-N 3.03Å; I446-I455 HydrophobicContact CG2-CG2 4.42Å; I446-I472 HydrophobicContact CD1-CD1 3.96Å; I446-A474 HydrophobicContact CG2-CB 3.29Å
447K98.3Very high98.1Very high84 Ų8435.3 Ų35.337%0.36518%0.178SC..Hα-helixtrans-59.5-47.8-179.5-178170.7-176.9176.80112.2L443 M444 Y445 L452 I455L443-K447 WeakPolarHBondContact O-CB 3.34Å; L443-K447 PolarHBondContact O-N 2.86Å; M444-K447 PolarHBondContact O-N 3.31Å; Y445-K447 PolarHBondContact O-N 3.44Å; K447-L452 WeakPolarHBondContact CA-O 3.39Å; K447-I455 HydrophobicContact CB-CD1 4.46Å; K447-I455 HydrophobicContact CB-CG2 4.09Å; K447-I455 HydrophobicContact CD-CD1 4.01Å; K447-I455 HydrophobicContact CD-CG1 4.45Å
448H97.5Very high98.1Very high120 Ų12035.3 Ų35.356%0.55618%0.178SC*.Hα-helixtrans-94.3-35.6-170.4-66.7-64.8000114.2M444 Y445 I446M444-H448 WeakPolarHBondContact O-CB 3.47Å; M444-H448 PolarHBondContact O-CD2 3.43Å; M444-H448 PolarHBondContact O-N 2.85Å; Y445-H448 PolarHBondContact O-N 3.5Å; I446-H448 PolarHBondContact O-N 3.37Å
449E97.6Very high98.1Very high81 Ų8135.8 Ų35.838%0.37918%0.182SC..Hα-helixtrans-98.3-24.5-174.5-56.2-68.5166.500113K327 Y445K327-E449 HydrophobicContact CD-CB 4.11Å; K327-E449 WeakPolarHBondContact CE-OE2 3.31Å; K327-E449 IonicContact NZ-OE2 2.68Å; K327-E449 PolarHBondContact NZ-OE2 3.28Å; Y445-E449 HydrophobicContact CD1-CB 4.28Å; Y445-E449 HydrophobicContact CD2-CB 4.09Å; Y445-E449 HydrophobicContact CD2-CG 3.65Å; Y445-E449 HydrophobicContact CE1-CB 4.18Å; Y445-E449 HydrophobicContact CE2-CB 4.02Å; Y445-E449 HydrophobicContact CE2-CG 3.8Å; Y445-E449 HydrophobicContact CG-CB 4.25Å; Y445-E449 HydrophobicContact CG-CG 4.15Å; Y445-E449 WeakPolarHBondContact O-CA 3.46Å; Y445-E449 WeakPolarHBondContact O-CB 3.5Å; Y445-E449 PolarHBondContact O-N 2.94Å
450L98.1Very high98.1Very high16 Ų1635.8 Ų35.88%0.08418%0.182CC..SBendtrans-105.4-1.2175.7-57.2-179.5000113.1L323 L326 K327 L335 I338 Y445 I446 L452L323-L450 HydrophobicContact CD2-CD1 4.14Å; L326-L450 HydrophobicContact CB-CD1 4.28Å; L326-L450 HydrophobicContact CB-CD2 4.15Å; L326-L450 HydrophobicContact CD1-CD1 4.4Å; K327-L450 VanDerWaalsContact CA-CD2 3.45Å; K327-L450 HydrophobicContact CB-CD2 3.64Å; K327-L450 HydrophobicContact CG-CD2 4.36Å; L335-L450 HydrophobicContact CD2-CB 4.11Å; L335-L450 HydrophobicContact CD2-CD1 4.28Å; L335-L450 HydrophobicContact CD2-CD2 4.38Å; I338-L450 HydrophobicContact CD1-CD1 3.59Å; Y445-L450 HydrophobicContact CE1-CG 4.3Å; I446-L450 HydrophobicContact CG1-CD1 4.12Å; I446-L450 HydrophobicContact CG2-CD1 4.5Å; I446-L450 CarbonylContact O-C 3.59Å; I446-L450 WeakPolarHBondContact O-CA 3.43Å; I446-L450 VanDerWaalsContact O-CB 3.32Å; I446-L450 WeakPolarHBondContact O-CB 3.5Å; I446-L450 PolarHBondContact O-N 2.69Å; L450-L452 VanDerWaalsContact C-N 3.29Å; L450-L452 PolarHBondContact O-N 3.17Å
451N97.6Very high97.9Very high126 Ų12633.8 Ų33.867%0.67418%0.175SC*.  trans54.340.2178.9-57.8-56.2000113.7I446 P453I446-N451 PolarHBondContact O-N 3Å; N451-P453 WeakPolarHBondContact O-CD 3.4Å
452L98.3Very high97.7Very high1 Ų135.3 Ų35.31%0.00518%0.184CC..  trans-109.991.1172.6-61.6178.4000109.1L335 I338 I446 K447 L450 N454 A474 S475 R476L335-L452 HydrophobicContact CD2-CD1 4.11Å; L335-L452 HydrophobicContact CG-CD1 4.16Å; I338-L452 HydrophobicContact CB-CD1 4.49Å; I338-L452 HydrophobicContact CD1-CD1 3.72Å; I338-L452 HydrophobicContact CG1-CD1 3.68Å; I446-L452 HydrophobicContact CG2-CB 3.92Å; I446-L452 HydrophobicContact CG2-CD1 4.12Å; I446-L452 HydrophobicContact CG2-CG 4.5Å; I446-L452 PolarHBondContact O-N 3.03Å; K447-L452 WeakPolarHBondContact CA-O 3.39Å; L450-L452 VanDerWaalsContact C-N 3.29Å; L450-L452 PolarHBondContact O-N 3.17Å; L452-N454 PolarHBondContact O-N 2.8Å; L452-A474 HydrophobicContact CB-CB 3.81Å; L452-A474 HydrophobicContact CD1-CB 3.97Å; L452-S475 CarbonylContact C-O 3.59Å; L452-S475 VanDerWaalsContact C-O 3.31Å; L452-S475 WeakPolarHBondContact CA-O 3.16Å; L452-R476 HydrophobicContact CD2-CG 3.75Å
453P97.9Very high97.3Very high62 Ų6238.8 Ų38.840%0.40321%0.209SC..  trans-71.2-29.4-169.329-36.4000113.9N451 I455 S475 R476N451-P453 WeakPolarHBondContact O-CD 3.4Å; P453-I455 VanDerWaalsContact C-N 3.34Å; P453-I455 PolarHBondContact O-N 2.81Å; P453-S475 WeakPolarHBondContact CD-O 3.3Å; P453-R476 WeakPolarHBondContact CD-OXT 3.46Å; P453-R476 WeakPolarHBondContact CG-OXT 3.28Å
454N98.3Very high96.7Very high92 Ų9244.5 Ų44.549%0.49224%0.239SC..EExtended strand (participates in β ladder)trans-84.478.1-175.8-69.7-35.3000110.1L452 A474 S475 R476L452-N454 PolarHBondContact O-N 2.8Å; N454-A474 CarbonylContact O-C 3.52Å; N454-A474 VanDerWaalsContact O-CA 3.23Å; N454-A474 WeakPolarHBondContact O-CA 3.48Å; N454-S475 WeakPolarHBondContact CB-OG 3.44Å; N454-S475 PolarHBondContact N-O 3.47Å; N454-S475 VanDerWaalsContact N-O 3.14Å; N454-S475 PolarHBondContact O-N 2.81Å; N454-R476 PolarHBondContact ND2-O 3.39Å
455I98.2Very high96.3Very high39 Ų3943.8 Ų43.820%0.224%0.236CC..EExtended strand (participates in β ladder)trans-92.1142.1-179.954.3165.1000112.2L443 M444 I446 K447 P453 C473 A474L443-I455 HydrophobicContact CB-CD1 4.03Å; L443-I455 HydrophobicContact CD2-CB 4.09Å; L443-I455 HydrophobicContact CD2-CG2 4.28Å; M444-I455 HydrophobicContact CE-CD1 3.37Å; I446-I455 HydrophobicContact CG2-CG2 4.42Å; K447-I455 HydrophobicContact CB-CD1 4.46Å; K447-I455 HydrophobicContact CB-CG2 4.09Å; K447-I455 HydrophobicContact CD-CD1 4.01Å; K447-I455 HydrophobicContact CD-CG1 4.45Å; P453-I455 VanDerWaalsContact C-N 3.34Å; P453-I455 PolarHBondContact O-N 2.81Å; I455-C473 WeakPolarHBondContact CA-O 3.32Å; I455-A474 HydrophobicContact CG2-CB 4.06Å
456S97.7Very high95.8Very high25 Ų2543.3 Ų43.318%0.17524%0.236CC..EExtended strand (participates in β ladder)trans-148.4153173.469.30000111.4E207 C473E207-S456 PolarHBondContact OE2-OG 2.78Å; S456-C473 PolarHBondContact N-O 3.3Å; S456-C473 PolarHBondContact O-N 3.27Å; S456-C473 WeakPolarHBondContact OG-CB 3.29Å
457S98Very high95.4Very high8 Ų846.5 Ų46.56%0.05626%0.256CS..EExtended strand (participates in β ladder)trans-113.1130.8165.7-75.70000108.6K121 L443 V471K121-S457 PolarHBondContact N-O 3.19Å; L443-S457 WeakPolarHBondContact CD1-OG 3.37Å; S457-V471 CarbonylContact C-O 3.57Å; S457-V471 WeakPolarHBondContact CA-O 3.25Å
458V98.2Very high95Very high0 Ų043.9 Ų43.90%025%0.245CC..EExtended strand (participates in β ladder)trans-128.9127.8-169.7-174.80000110.3K121 L123 V203 Y460 I470 V471K121-V458 HydrophobicContact CB-CG2 4.26Å; K121-V458 HydrophobicContact CD-CG2 4.37Å; K121-V458 CarbonylContact O-C 3.47Å; K121-V458 VanDerWaalsContact O-CA 3.32Å; K121-V458 WeakPolarHBondContact O-CA 3.48Å; L123-V458 HydrophobicContact CB-CG1 3.8Å; L123-V458 HydrophobicContact CD1-CG1 3.83Å; L123-V458 HydrophobicContact CG-CG1 3.86Å; V203-V458 HydrophobicContact CG1-CB 4.4Å; V203-V458 HydrophobicContact CG1-CG1 4.26Å; V203-V458 HydrophobicContact CG1-CG2 4.45Å; V203-V458 HydrophobicContact CG2-CG1 3.95Å; V458-Y460 PolarHBondContact O-N 3.2Å; V458-I470 CarbonylContact O-C 3.58Å; V458-I470 WeakPolarHBondContact O-CA 3.37Å; V458-V471 PolarHBondContact N-O 3.17Å; V458-V471 PolarHBondContact O-N 3.4Å
459A97.9Very high94.9Very high10 Ų1039.4 Ų39.48%0.08323%0.226CC..EExtended strand (participates in β ladder)trans-77.7110.3164.300000108.6I120 K121 L123 S124 N469 I470I120-A459 HydrophobicContact CG2-CB 3.93Å; K121-A459 PolarHBondContact O-N 2.92Å; L123-A459 CarbonylContact C-O 3.54Å; L123-A459 VanDerWaalsContact CA-O 3.29Å; L123-A459 WeakPolarHBondContact CA-O 3.35Å; L123-A459 PolarHBondContact N-O 2.87Å; S124-A459 PolarHBondContact N-O 3.12Å; A459-N469 CarbonylContact C-O 3.42Å; A459-N469 WeakPolarHBondContact CA-O 3.42Å; A459-I470 HydrophobicContact CB-CD1 3.81Å
460Y97.3Very high94.9Very high0 Ų036.5 Ų36.50%021%0.212CC..  trans-89.5-18.4-172.973.9-88000113.8L123 Q196 C199 L200 R202 A341 V458 T466 E468 N469 V471L123-Y460 CarbonylContact O-C 3.52Å; Q196-Y460 HydrophobicContact CB-CE2 4.21Å; Q196-Y460 HydrophobicContact CG-CE2 4.23Å; Q196-Y460 PolarHBondContact NE2-OH 3.18Å; C199-Y460 HydrophobicContact CB-CD2 3.65Å; C199-Y460 HydrophobicContact CB-CE2 4.37Å; C199-Y460 VanDerWaalsContact CB-O 3.27Å; C199-Y460 WeakPolarHBondContact CB-O 3.48Å; L200-Y460 HydrophobicContact CD2-CD1 4.02Å; L200-Y460 HydrophobicContact CD2-CD2 3.76Å; L200-Y460 HydrophobicContact CD2-CE1 4.3Å; L200-Y460 HydrophobicContact CD2-CE2 4.08Å; L200-Y460 HydrophobicContact CD2-CG 3.75Å; L200-Y460 HydrophobicContact CG-CD2 3.93Å; L200-Y460 HydrophobicContact CG-CE2 4.06Å; L200-Y460 HydrophobicContact CG-CG 4.42Å; R202-Y460 PolarHBondContact NH2-O 3.47Å; R202-Y460 VanDerWaalsContact NH2-O 3.09Å; A341-Y460 HydrophobicContact CB-CE1 4.4Å; V458-Y460 PolarHBondContact O-N 3.2Å; Y460-T466 WeakPolarHBondContact OH-CG2 3.41Å; Y460-E468 PolarHBondContact OH-O 3.3Å; Y460-N469 WeakPolarHBondContact CD1-O 3.27Å; Y460-N469 HydrophobicContact CE1-CB 4.39Å; Y460-N469 WeakPolarHBondContact CE1-O 3.33Å; Y460-N469 PolarHBondContact N-O 3.39Å; Y460-V471 HydrophobicContact CD1-CG2 3.41Å; Y460-V471 VanDerWaalsContact CD1-CG2 3.41Å; Y460-V471 HydrophobicContact CE1-CG2 4.05Å; Y460-V471 HydrophobicContact CG-CG2 3.99Å
461T95.1Very high94.9Very high0 Ų035.8 Ų35.80%021%0.208CC..SBendtrans-152.5166.7179-176.30000109.8S124 V465 T466 N469S124-T461 VanDerWaalsContact CB-C 3.47Å; S124-T461 WeakPolarHBondContact CB-O 3.36Å; T461-V465 HydrophobicContact CG2-CB 4.29Å; T461-V465 HydrophobicContact CG2-CG1 4.33Å; T461-V465 WeakPolarHBondContact OG1-CB 3.17Å; T461-T466 HydrophobicContact CG2-CG2 3.54Å; T461-N469 HydrophobicContact CG2-CB 3.76Å; T461-N469 VanDerWaalsContact O-CB 3.27Å; T461-N469 WeakPolarHBondContact O-CB 3.42Å; T461-N469 PolarHBondContact O-ND2 3.17Å
462T92.7Very high94.9Very high31 Ų3129.8 Ų29.819%0.1918%0.176CC..  trans-66.6153.217467.50000112V125 D464 V465 T466V125-T462 HydrophobicContact CG2-CG2 4.15Å; T462-D464 PolarHBondContact O-N 3.09Å; T462-V465 PolarHBondContact O-N 2.83Å; T462-T466 PolarHBondContact O-N 3.39Å
463S89.9Confident94.9Very high74 Ų7429.7 Ų29.752%0.51718%0.176SC..THydrogen-bonded Turntrans-63.3-22.3178.148.40000113.5V465 T466S463-V465 VanDerWaalsContact C-N 3.33Å; S463-T466 WeakPolarHBondContact CA-O 3.34Å; S463-T466 CarbonylContact O-C 3.51Å; S463-T466 PolarHBondContact O-N 3.42Å
464D87Confident94.9Very high120 Ų12026.8 Ų26.864%0.64216%0.157SC*.THydrogen-bonded Turntrans-69.3-31.8177.4-55.6-50.8000112.4T462T462-D464 PolarHBondContact O-N 3.09Å
465V89Confident94.9Very high5 Ų523.7 Ų23.73%0.0314%0.142CC..THydrogen-bonded Turntrans-74.5-45.4174.6175.80000110.1P183 R192 Y195 Q196 T461 T462 S463P183-V465 HydrophobicContact CB-CG2 4.41Å; R192-V465 WeakPolarHBondContact CD-O 3.48Å; R192-V465 HydrophobicContact CG-CG1 4.14Å; Y195-V465 HydrophobicContact CD1-CG1 4.02Å; Y195-V465 HydrophobicContact CD1-CG2 4.44Å; Y195-V465 HydrophobicContact CE1-CG1 4.16Å; Y195-V465 HydrophobicContact CE1-CG2 3.93Å; Q196-V465 HydrophobicContact CG-CG1 4.1Å; T461-V465 HydrophobicContact CG2-CB 4.29Å; T461-V465 HydrophobicContact CG2-CG1 4.33Å; T461-V465 WeakPolarHBondContact OG1-CB 3.17Å; T462-V465 PolarHBondContact O-N 2.83Å; S463-V465 VanDerWaalsContact C-N 3.33Å
466T89.3Confident94.7Very high16 Ų1630 Ų3010%0.09816%0.164CC..  trans-157.9135173.3173.30000109.8Q196 Y460 T461 T462 S463 E468 N469Q196-T466 VanDerWaalsContact NE2-CG2 3.27Å; Y460-T466 WeakPolarHBondContact OH-CG2 3.41Å; T461-T466 HydrophobicContact CG2-CG2 3.54Å; T462-T466 PolarHBondContact O-N 3.39Å; S463-T466 WeakPolarHBondContact CA-O 3.34Å; S463-T466 CarbonylContact O-C 3.51Å; S463-T466 PolarHBondContact O-N 3.42Å; T466-E468 WeakPolarHBondContact CG2-O 3.46Å; T466-E468 PolarHBondContact O-N 3.16Å; T466-E468 PolarHBondContact OG1-N 2.6Å; T466-E468 VanDerWaalsContact OG1-N 3.14Å; T466-E468 PolarHBondContact OG1-O 3.49Å; T466-N469 HydrophobicContact CG2-CB 4.18Å; T466-N469 WeakPolarHBondContact O-CB 3.42Å
467P89.5Confident94.6Very high66 Ų6630.3 Ų30.343%0.42916%0.164SC..SBendtrans-74.2-14.3173.233.6-37.9000112.2V381 N469V381-P467 HydrophobicContact CB-CG 4.37Å; V381-P467 HydrophobicContact CG1-CB 3.94Å; V381-P467 HydrophobicContact CG1-CG 3.86Å; P467-N469 VanDerWaalsContact C-N 3.32Å; P467-N469 PolarHBondContact O-N 2.81Å
468E91Very high94.4Very high29 Ų2931.5 Ų31.514%0.13617%0.169CC..  trans-91.866.9168.2-57-68.9-174.700109.1C343 K435 Y460 T466C343-E468 HydrophobicContact CB-CB 3.97Å; C343-E468 HydrophobicContact CB-CG 3.84Å; K435-E468 IonicContact NZ-OE1 3.53Å; K435-E468 PolarHBondContact NZ-OE1 3.16Å; K435-E468 IonicContact NZ-OE2 3.4Å; K435-E468 PolarHBondContact NZ-OE2 3.09Å; Y460-E468 PolarHBondContact OH-O 3.3Å; T466-E468 WeakPolarHBondContact CG2-O 3.46Å; T466-E468 PolarHBondContact O-N 3.16Å; T466-E468 PolarHBondContact OG1-N 2.6Å; T466-E468 VanDerWaalsContact OG1-N 3.14Å; T466-E468 PolarHBondContact OG1-O 3.49Å
469N95.1Very high94.2Very high27 Ų2733.2 Ų33.214%0.14418%0.179CC..  trans-105.213.2-173.665.7-27.6000114.3A459 Y460 T461 T466 P467A459-N469 CarbonylContact C-O 3.42Å; A459-N469 WeakPolarHBondContact CA-O 3.42Å; Y460-N469 WeakPolarHBondContact CD1-O 3.27Å; Y460-N469 HydrophobicContact CE1-CB 4.39Å; Y460-N469 WeakPolarHBondContact CE1-O 3.33Å; Y460-N469 PolarHBondContact N-O 3.39Å; T461-N469 HydrophobicContact CG2-CB 3.76Å; T461-N469 VanDerWaalsContact O-CB 3.27Å; T461-N469 WeakPolarHBondContact O-CB 3.42Å; T461-N469 PolarHBondContact O-ND2 3.17Å; T466-N469 HydrophobicContact CG2-CB 4.18Å; T466-N469 WeakPolarHBondContact O-CB 3.42Å; P467-N469 VanDerWaalsContact C-N 3.32Å; P467-N469 PolarHBondContact O-N 2.81Å
470I96.8Very high94Very high20 Ų2034.6 Ų34.610%0.10318%0.184CC..EExtended strand (participates in β ladder)trans-104.5141.1-179.6-48.9-58.8000111.4I120 V342 V458 A459I120-I470 HydrophobicContact CD1-CG2 4.41Å; I120-I470 HydrophobicContact CG2-CD1 3.93Å; V342-I470 PolarHBondContact N-O 3.47Å; V458-I470 CarbonylContact O-C 3.58Å; V458-I470 WeakPolarHBondContact O-CA 3.37Å; A459-I470 HydrophobicContact CB-CD1 3.81Å
471V97.9Very high93.8Very high0 Ų036.8 Ų36.80%020%0.196CC..EExtended strand (participates in β ladder)trans-121.5137.9174.6171.70000108.4L200 V203 M339 F340 A341 S457 V458 Y460 C473L200-V471 HydrophobicContact CD2-CG2 3.35Å; V203-V471 HydrophobicContact CG1-CG1 4.47Å; M339-V471 HydrophobicContact CB-CG1 4.49Å; M339-V471 HydrophobicContact CG-CG1 3.35Å; M339-V471 HydrophobicContact SD-CG1 4.29Å; F340-V471 VanDerWaalsContact O-CA 3.32Å; F340-V471 WeakPolarHBondContact O-CA 3.49Å; A341-V471 HydrophobicContact CB-CG2 3.66Å; S457-V471 CarbonylContact C-O 3.57Å; S457-V471 WeakPolarHBondContact CA-O 3.25Å; V458-V471 PolarHBondContact N-O 3.17Å; V458-V471 PolarHBondContact O-N 3.4Å; Y460-V471 HydrophobicContact CD1-CG2 3.41Å; Y460-V471 VanDerWaalsContact CD1-CG2 3.41Å; Y460-V471 HydrophobicContact CE1-CG2 4.05Å; Y460-V471 HydrophobicContact CG-CG2 3.99Å; V471-C473 VanDerWaalsContact CG1-SG 3.52Å
472I97.9Very high93.7Very high0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-93.4127.8164.454.8173.2000108.6M339 F340 V342 D439 R442 L443 I446M339-I472 WeakPolarHBondContact CA-O 3.47Å; F340-I472 HydrophobicContact CB-CD1 4.22Å; F340-I472 HydrophobicContact CB-CG1 3.8Å; F340-I472 PolarHBondContact N-O 3.28Å; F340-I472 PolarHBondContact O-N 3.19Å; V342-I472 HydrophobicContact CG1-CD1 3.94Å; V342-I472 HydrophobicContact CG1-CG1 3.95Å; D439-I472 HydrophobicContact CB-CG2 4.08Å; R442-I472 HydrophobicContact CB-CD1 4.2Å; L443-I472 HydrophobicContact CD2-CB 3.77Å; L443-I472 HydrophobicContact CD2-CG2 3.91Å; L443-I472 HydrophobicContact CG-CB 4.49Å; L443-I472 HydrophobicContact CG-CG2 4.09Å; I446-I472 HydrophobicContact CD1-CD1 3.96Å
473C98.5Very high93.8Very high0 Ų039.8 Ų39.80%021%0.21CC..EExtended strand (participates in β ladder)trans-116.8149.2175-54.50000110E207 I338 I455 S456 V471E207-C473 HydrophobicContact CG-CB 4.17Å; I338-C473 CarbonylContact O-C 3.57Å; I338-C473 VanDerWaalsContact O-CA 3.23Å; I338-C473 WeakPolarHBondContact O-CA 3.47Å; I455-C473 WeakPolarHBondContact CA-O 3.32Å; S456-C473 PolarHBondContact N-O 3.3Å; S456-C473 PolarHBondContact O-N 3.27Å; S456-C473 WeakPolarHBondContact OG-CB 3.29Å; V471-C473 VanDerWaalsContact CG1-SG 3.52Å
474A98.7Very high94.1Very high1 Ų137.2 Ų37.21%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-149.5146.9169.700000110.6G337 I338 I446 L452 N454 I455G337-A474 CarbonylContact C-O 3.53Å; G337-A474 WeakPolarHBondContact CA-O 3.39Å; I338-A474 HydrophobicContact CB-CB 4.4Å; I338-A474 PolarHBondContact N-O 2.83Å; I338-A474 PolarHBondContact O-N 3.13Å; I446-A474 HydrophobicContact CG2-CB 3.29Å; L452-A474 HydrophobicContact CB-CB 3.81Å; L452-A474 HydrophobicContact CD1-CB 3.97Å; N454-A474 CarbonylContact O-C 3.52Å; N454-A474 VanDerWaalsContact O-CA 3.23Å; N454-A474 WeakPolarHBondContact O-CA 3.48Å; I455-A474 HydrophobicContact CG2-CB 4.06Å
475S98.2Very high94.6Very high26 Ų2630.3 Ų30.318%0.18215%0.149CC..EExtended strand (participates in β ladder)trans-144.2168.6174.155.20000110.8L452 P453 N454L452-S475 CarbonylContact C-O 3.59Å; L452-S475 VanDerWaalsContact C-O 3.31Å; L452-S475 WeakPolarHBondContact CA-O 3.16Å; P453-S475 WeakPolarHBondContact CD-O 3.3Å; N454-S475 WeakPolarHBondContact CB-OG 3.44Å; N454-S475 PolarHBondContact N-O 3.47Å; N454-S475 VanDerWaalsContact N-O 3.14Å; N454-S475 PolarHBondContact O-N 2.81Å
476R94Very high95.2Very high173 Ų17332.5 Ų32.565%0.65316%0.159SC*.  trans-64.10173.9-77.1-177177.7-117.9-1.1112.6N334 L335 S336 L452 P453 N454N334-R476 PolarHBondContact OD1-NH2 3.21Å; N334-R476 VanDerWaalsContact OD1-NH2 3.17Å; L335-R476 PolarHBondContact O-NE 3.19Å; L335-R476 PolarHBondContact O-NH2 3.5Å; S336-R476 PolarHBondContact O-N 2.98Å; L452-R476 HydrophobicContact CD2-CG 3.75Å; P453-R476 WeakPolarHBondContact CD-OXT 3.46Å; P453-R476 WeakPolarHBondContact CG-OXT 3.28Å; N454-R476 PolarHBondContact ND2-O 3.39Å

Retrieved 476 of 476 residues in 219.6 ms (Link to these results)

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