A0A3Q0KS66_SCHMA Loading...

Copine, putative

AlphaFold DB , UniProt , Accession A0A3Q0KS66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 705 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
1M31Very low81Confident177 Ų17759.5 Ų59.587%0.87230%0.299SS*.  0115.70-70.3-74-175.400106.2H3 P665M1-H3 PolarHBondContact O-N 3.36Å; M1-P665 HydrophobicContact CE-CB 3.91Å; M1-P665 HydrophobicContact CE-CG 3.36Å; M1-P665 HydrophobicContact CG-CG 4.24Å; M1-P665 HydrophobicContact SD-CG 3.56Å; M1-P665 VanDerWaalsContact SD-CG 3.56Å
2P47.5Very low82.4Confident121 Ų12154.6 Ų54.679%0.78628%0.275SS*.PPolyproline II helixtrans-53.3139.2160.424.3-30000107.9K4P2-K4 PolarHBondContact O-N 3.48Å
3H64.6Low83.4Confident160 Ų16050.6 Ų50.674%0.74126%0.255SS*.PPolyproline II helixtrans-59134176.3-78.6-71.1000108.5M1M1-H3 PolarHBondContact O-N 3.36Å
4K82Confident84.2Confident58 Ų5849.4 Ų49.425%0.25225%0.246SC..PPolyproline II helixtrans-60.6142.3170.3-77.2176.7162.8-1580108.6P2 E61 C63 E65P2-K4 PolarHBondContact O-N 3.48Å; K4-E61 HydrophobicContact CB-CG 3.57Å; K4-E61 HydrophobicContact CD-CG 3.97Å; K4-E61 WeakPolarHBondContact CD-OE1 3.39Å; K4-E61 HydrophobicContact CG-CG 4.43Å; K4-C63 PolarHBondContact NZ-SG 2.95Å; K4-E65 WeakPolarHBondContact CE-OE1 3.37Å; K4-E65 IonicContact NZ-OE1 2.96Å; K4-E65 PolarHBondContact NZ-OE1 3.24Å; K4-E65 IonicContact NZ-OE2 3.43Å
5P90.1Very high84.6Confident40 Ų4049.7 Ų49.726%0.2625%0.249SC..PPolyproline II helixtrans-61.2146.4178.128.5-36.4000109.8Y62 L287P5-Y62 HydrophobicContact CG-CD1 3.77Å; P5-Y62 PolarHBondContact O-N 2.55Å; P5-L287 HydrophobicContact CB-CD1 3.97Å; P5-L287 HydrophobicContact CG-CD1 4.23Å
6R92.6Very high84.9Confident88 Ų8846.8 Ų46.833%0.33223%0.234SC..EExtended strand (participates in β ladder)trans-104.5146.5174-66.217766.4178.5-1109L60 D132 S135R6-L60 CarbonylContact C-O 3.55Å; R6-L60 WeakPolarHBondContact CA-O 3.39Å; R6-D132 HydrophobicContact CB-CB 3.86Å; R6-D132 WeakPolarHBondContact O-CB 3.38Å; R6-D132 PolarHBondContact O-N 3.31Å; R6-S135 PolarHBondContact N-OG 3.12Å
7I95.4Very high84.9Confident0 Ų045.8 Ų45.80%023%0.232CC..EExtended strand (participates in β ladder)trans-123.7154.717661.5170.6000110.3I9 L60 V95 I99 I129 R130 L287I7-I9 HydrophobicContact CD1-CD1 4.44Å; I7-I9 HydrophobicContact CD1-CG1 4.38Å; I7-L60 HydrophobicContact CD1-CB 4.49Å; I7-L60 HydrophobicContact CD1-CD2 4.15Å; I7-L60 HydrophobicContact CG1-CB 3.95Å; I7-L60 HydrophobicContact CG1-CD2 4.46Å; I7-L60 PolarHBondContact N-O 3.28Å; I7-L60 PolarHBondContact O-N 2.72Å; I7-V95 HydrophobicContact CD1-CG1 3.43Å; I7-V95 VanDerWaalsContact CD1-CG1 3.43Å; I7-V95 HydrophobicContact CD1-CG2 4.46Å; I7-I99 HydrophobicContact CD1-CD1 4.48Å; I7-I129 HydrophobicContact CB-CG2 3.83Å; I7-I129 HydrophobicContact CD1-CD1 4.36Å; I7-I129 HydrophobicContact CD1-CG2 3.74Å; I7-I129 HydrophobicContact CG1-CG2 4.3Å; I7-I129 HydrophobicContact CG2-CG2 4.15Å; I7-R130 CarbonylContact C-O 3.49Å; I7-R130 VanDerWaalsContact CA-O 3.22Å; I7-R130 WeakPolarHBondContact CA-O 3.42Å; I7-R130 WeakPolarHBondContact CB-O 3.22Å; I7-L287 HydrophobicContact CG2-CD1 3.7Å
8Q95.6Very high84.1Confident10 Ų1054.2 Ų54.25%0.04727%0.267CS..EExtended strand (participates in β ladder)trans-115.1129.1171-52.6-163.3-3.700109.5L58 N59 I129 R130 D132 F562 T563Q8-L58 WeakPolarHBondContact CA-O 3.3Å; Q8-N59 VanDerWaalsContact CG-OD1 3.25Å; Q8-N59 WeakPolarHBondContact CG-OD1 3.12Å; Q8-N59 PolarHBondContact NE2-OD1 3.09Å; Q8-I129 WeakPolarHBondContact O-CA 3.38Å; Q8-R130 PolarHBondContact N-O 2.96Å; Q8-R130 PolarHBondContact O-N 2.68Å; Q8-R130 VanDerWaalsContact O-N 3.08Å; Q8-D132 HydrophobicContact CG-CB 4.35Å; Q8-F562 HydrophobicContact CB-CE1 4.13Å; Q8-F562 HydrophobicContact CG-CE1 4.1Å; Q8-T563 HydrophobicContact CB-CG2 3.91Å
9I97.4Very high83Confident0 Ų052.3 Ų52.30%026%0.258CS..EExtended strand (participates in β ladder)trans-108125.2179.9-47.4-177.2000108.6I7 F27 V29 R57 L58 L60 I70 V95 V127 C128 I129I7-I9 HydrophobicContact CD1-CD1 4.44Å; I7-I9 HydrophobicContact CD1-CG1 4.38Å; I9-F27 HydrophobicContact CB-CE2 4.31Å; I9-F27 HydrophobicContact CG2-CD2 4.45Å; I9-F27 HydrophobicContact CG2-CE2 4.29Å; I9-V29 HydrophobicContact CD1-CG2 3.96Å; I9-R57 CarbonylContact O-C 3.57Å; I9-R57 VanDerWaalsContact O-CA 3.26Å; I9-R57 WeakPolarHBondContact O-CA 3.43Å; I9-L58 HydrophobicContact CB-CB 4.35Å; I9-L58 HydrophobicContact CD1-CD2 4.45Å; I9-L58 PolarHBondContact N-O 2.63Å; I9-L58 PolarHBondContact O-N 3.07Å; I9-L60 HydrophobicContact CD1-CD2 4.34Å; I9-I70 HydrophobicContact CD1-CD1 4Å; I9-I70 HydrophobicContact CD1-CG1 4.22Å; I9-I70 HydrophobicContact CG2-CD1 4.39Å; I9-V95 HydrophobicContact CD1-CG2 4.46Å; I9-V127 HydrophobicContact CG2-CG1 3.95Å; I9-C128 CarbonylContact C-O 3.49Å; I9-C128 WeakPolarHBondContact CA-O 3.01Å; I9-I129 HydrophobicContact CB-CG1 4.47Å; I9-I129 HydrophobicContact CD1-CD1 4.35Å; I9-I129 HydrophobicContact CG1-CD1 4.25Å; I9-I129 HydrophobicContact CG1-CG1 4.07Å; I9-I129 HydrophobicContact CG2-CG1 4.22Å
10G97.3Very high82Confident0 Ų055.7 Ų55.70%028%0.276CS..EExtended strand (participates in β ladder)trans-119.6154.7171.700000111.6C128G10-C128 PolarHBondContact N-O 3.15Å; G10-C128 PolarHBondContact O-N 3.44Å
11I97.7Very high82Confident0 Ų057.1 Ų57.10%028%0.281CS..EExtended strand (participates in β ladder)trans-122.5137.8-178-57.6-60.7000109A25 F27 Y54 T72 V125 V126 V127I11-A25 HydrophobicContact CB-CB 4.49Å; I11-A25 HydrophobicContact CG2-CB 3.95Å; I11-F27 HydrophobicContact CD1-CD2 4.4Å; I11-F27 HydrophobicContact CD1-CG 4.45Å; I11-F27 HydrophobicContact CG1-CB 4.34Å; I11-F27 HydrophobicContact CG1-CD1 3.92Å; I11-F27 HydrophobicContact CG1-CD2 4.03Å; I11-F27 HydrophobicContact CG1-CE1 4.2Å; I11-F27 HydrophobicContact CG1-CE2 4.24Å; I11-F27 HydrophobicContact CG1-CG 3.86Å; I11-F27 HydrophobicContact CG1-CZ 4.35Å; I11-Y54 HydrophobicContact CB-CD2 4.26Å; I11-Y54 HydrophobicContact CG2-CD2 4.12Å; I11-Y54 HydrophobicContact CG2-CE2 4.4Å; I11-Y54 WeakPolarHBondContact O-CB 3.43Å; I11-Y54 VanDerWaalsContact O-CD2 3.28Å; I11-Y54 WeakPolarHBondContact O-CD2 3.41Å; I11-Y54 PolarHBondContact O-N 3.37Å; I11-T72 HydrophobicContact CD1-CG2 4.01Å; I11-T72 WeakPolarHBondContact CD1-OG1 3.48Å; I11-T72 HydrophobicContact CG1-CG2 4.11Å; I11-T72 HydrophobicContact CG2-CG2 3.81Å; I11-V125 HydrophobicContact CG2-CG1 3.98Å; I11-V126 WeakPolarHBondContact CA-O 3.45Å; I11-V127 HydrophobicContact CD1-CB 4.39Å; I11-V127 HydrophobicContact CD1-CG1 4.19Å; I11-V127 HydrophobicContact CD1-CG2 3.93Å
12S97.3Very high85Confident1 Ų148.8 Ų48.81%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-132.3160.5164.8-61.70000109.6P52 N53 V125 V126 P565S12-P52 CarbonylContact C-O 3.58Å; S12-P52 VanDerWaalsContact CA-O 3.28Å; S12-P52 WeakPolarHBondContact CA-O 3.19Å; S12-P52 WeakPolarHBondContact CB-O 3.06Å; S12-N53 WeakPolarHBondContact CB-OD1 3.32Å; S12-N53 PolarHBondContact OG-OD1 2.68Å; S12-V125 WeakPolarHBondContact O-CA 2.64Å; S12-V126 PolarHBondContact N-O 3.41Å; S12-V126 PolarHBondContact O-N 3.18Å; S12-P565 WeakPolarHBondContact OG-CD 3.42Å
13C95.6Very high87.2Confident3 Ų343 Ų432%0.0220%0.202CC..EExtended strand (participates in β ladder)trans-123.9159.6170.9-56.60000110.5I16 S51 P52 I74 E124C13-I16 HydrophobicContact CB-CD1 3.66Å; C13-I16 HydrophobicContact CB-CG1 3.76Å; C13-S51 CarbonylContact O-C 3.58Å; C13-S51 VanDerWaalsContact O-C 3.24Å; C13-S51 WeakPolarHBondContact O-CA 3.45Å; C13-P52 HydrophobicContact CB-CG 3.91Å; C13-P52 PolarHBondContact N-O 3.1Å; C13-I74 VanDerWaalsContact SG-CD1 3.55Å; C13-E124 CarbonylContact C-O 3.56Å; C13-E124 VanDerWaalsContact CA-O 3.3Å; C13-E124 WeakPolarHBondContact CA-O 2.89Å
14R94Very high88.7Confident33 Ų3335.9 Ų35.913%0.12517%0.169CC..EExtended strand (participates in β ladder)trans-130.9137.3173.1-61.7175.3178.8163.20.4109.2I16 E104 I106 T123 E124 V126R14-I16 VanDerWaalsContact C-N 3.33Å; R14-I16 PolarHBondContact O-N 2.55Å; R14-E104 IonicContact NH2-OE1 2.8Å; R14-I106 VanDerWaalsContact NH1-CD1 3.33Å; R14-T123 WeakPolarHBondContact O-CA 3.44Å; R14-E124 HydrophobicContact CB-CB 4.27Å; R14-E124 WeakPolarHBondContact CD-OE2 3.39Å; R14-E124 PolarHBondContact N-O 3.21Å; R14-E124 IonicContact NH1-OE2 2.57Å; R14-E124 PolarHBondContact NH1-OE2 2.87Å; R14-E124 PolarHBondContact O-N 3.3Å; R14-V126 HydrophobicContact CG-CG2 4.32Å
15N91.5Very high89.4Confident55 Ų5533.1 Ų33.129%0.29416%0.157SC..  trans54.942.6173.1-49.5-46.8000113.8L50 S51 S122 T123N15-L50 PolarHBondContact N-O 3.16Å; N15-L50 VanDerWaalsContact N-O 3.1Å; N15-S51 PolarHBondContact N-OG 3.43Å; N15-S122 PolarHBondContact ND2-O 3.39Å; N15-T123 WeakPolarHBondContact O-CB 3.49Å; N15-T123 PolarHBondContact O-OG1 3.07Å
16I89.3Confident89.8Confident3 Ų333.1 Ų33.12%0.01515%0.153CC..  trans-58.1127.6166.7-56.8178.1000107.1C13 R14 L19 L50 P52 I74 L88 T123C13-I16 HydrophobicContact CB-CD1 3.66Å; C13-I16 HydrophobicContact CB-CG1 3.76Å; R14-I16 VanDerWaalsContact C-N 3.33Å; R14-I16 PolarHBondContact O-N 2.55Å; I16-L19 HydrophobicContact CG2-CD2 3.95Å; I16-L19 HydrophobicContact CG2-CG 4.4Å; I16-L50 WeakPolarHBondContact CG1-O 3.4Å; I16-L50 PolarHBondContact N-O 2.7Å; I16-L50 WeakPolarHBondContact O-CB 3.25Å; I16-L50 VanDerWaalsContact O-CD2 3.31Å; I16-L50 WeakPolarHBondContact O-CD2 3.36Å; I16-P52 HydrophobicContact CD1-CG 3.67Å; I16-I74 HydrophobicContact CD1-CG2 4.27Å; I16-L88 HydrophobicContact CG2-CD1 3.74Å; I16-T123 HydrophobicContact CG1-CG2 4.38Å
17P83.8Confident89.9Confident30 Ų3029 Ų2920%0.19514%0.137CC..  trans-59.4149.4177.5-22.535.2000110.7L19 W111 V117 T121 T123P17-L19 PolarHBondContact O-N 2.84Å; P17-L19 VanDerWaalsContact O-N 3.15Å; P17-W111 HydrophobicContact CG-CH2 3.56Å; P17-W111 HydrophobicContact CG-CZ2 3.87Å; P17-V117 HydrophobicContact CB-CG1 4.24Å; P17-V117 HydrophobicContact CG-CG1 3.99Å; P17-T121 HydrophobicContact CG-CG2 4.46Å; P17-T123 WeakPolarHBondContact CD-OG1 3.25Å
18K71.4Confident89.8Confident197 Ų19729 Ų2986%0.85714%0.138SC*.  trans-12.8105.4179.5-73.9-175.3177-178.90113.9
19L63.8Low89.8Confident18 Ų1828.5 Ų28.59%0.09414%0.135CC..  trans-74.5126.8173.7-68.4164.2000109.8I16 P17 K21 N49 L50 E76I16-L19 HydrophobicContact CG2-CD2 3.95Å; I16-L19 HydrophobicContact CG2-CG 4.4Å; P17-L19 PolarHBondContact O-N 2.84Å; P17-L19 VanDerWaalsContact O-N 3.15Å; L19-K21 VanDerWaalsContact C-N 3.3Å; L19-N49 WeakPolarHBondContact CD1-O 3.36Å; L19-L50 HydrophobicContact CD1-CD2 4.1Å; L19-L50 HydrophobicContact CG-CD2 4.1Å; L19-E76 VanDerWaalsContact CA-OE1 3.24Å; L19-E76 WeakPolarHBondContact CA-OE1 3.38Å
20L62.7Low89.5Confident120 Ų12029 Ų2963%0.62814%0.139SC*.SBendtrans-62-38.9166-69.8171.9000110.2E76L20-E76 PolarHBondContact N-OE1 2.92Å
21K81.7Confident88.9Confident86 Ų8630.5 Ų30.537%0.37415%0.145SC..SBendtrans-153.1-67.5173.9-64.6-170.1-169.7149.50115.6L19 Y47 N48 E78L19-K21 VanDerWaalsContact C-N 3.3Å; K21-Y47 WeakPolarHBondContact O-CA 3.42Å; K21-N48 PolarHBondContact O-N 3.14Å; K21-N48 PolarHBondContact O-OD1 2.82Å; K21-E78 HydrophobicContact CD-CB 3.71Å; K21-E78 HydrophobicContact CD-CG 3.91Å; K21-E78 HydrophobicContact CG-CB 4.4Å; K21-E78 HydrophobicContact CG-CG 4.18Å; K21-E78 IonicContact NZ-OE2 3.67Å; K21-E78 PolarHBondContact NZ-OE2 3.17Å
22A93.4Very high87.4Confident1 Ų131.6 Ų31.61%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-139.9155.4-170.700000112.8L45 V46 Y47 E76 C77A22-L45 HydrophobicContact CB-CD2 4.31Å; A22-V46 CarbonylContact C-O 3.57Å; A22-V46 VanDerWaalsContact CA-O 3.28Å; A22-V46 WeakPolarHBondContact CA-O 3.14Å; A22-Y47 HydrophobicContact CB-CD1 3.53Å; A22-Y47 HydrophobicContact CB-CD2 4.5Å; A22-Y47 HydrophobicContact CB-CE1 3.62Å; A22-Y47 HydrophobicContact CB-CG 3.98Å; A22-E76 CarbonylContact O-C 3.54Å; A22-E76 WeakPolarHBondContact O-CA 3.49Å; A22-C77 PolarHBondContact N-O 2.88Å; A22-C77 VanDerWaalsContact N-O 3.15Å; A22-C77 PolarHBondContact O-N 3.47Å
23S94.5Very high85.6Confident0 Ų035.2 Ų35.20%019%0.193CC..EExtended strand (participates in β ladder)trans-126.1153.817362.40000112.5V46 Y54 F75S23-V46 PolarHBondContact N-O 3.26Å; S23-V46 PolarHBondContact O-N 2.88Å; S23-Y54 PolarHBondContact OG-OH 2.78Å; S23-Y54 VanDerWaalsContact OG-OH 3.05Å; S23-F75 WeakPolarHBondContact CA-O 3.33Å; S23-F75 WeakPolarHBondContact CB-O 3.3Å
24Y96.3Very high83.5Confident11 Ų1142.8 Ų42.84%0.04322%0.222CC..EExtended strand (participates in β ladder)trans-146.9164.2166.671-80000109.8E42 T43 E44 L45 Y54 F75 C77 R82 S85Y24-E42 HydrophobicContact CD2-CB 4.45Å; Y24-E42 HydrophobicContact CE2-CG 4.49Å; Y24-T43 WeakPolarHBondContact CB-OG1 3.48Å; Y24-E44 WeakPolarHBondContact CB-O 3.3Å; Y24-L45 HydrophobicContact CD1-CD2 3.55Å; Y24-L45 HydrophobicContact CE1-CD2 4.35Å; Y24-L45 HydrophobicContact CG-CD2 4.16Å; Y24-Y54 WeakPolarHBondContact CA-OH 3.19Å; Y24-Y54 PolarHBondContact N-OH 2.81Å; Y24-F75 HydrophobicContact CD1-CB 3.78Å; Y24-F75 HydrophobicContact CD2-CB 4.46Å; Y24-F75 HydrophobicContact CD2-CD2 4.44Å; Y24-F75 HydrophobicContact CE1-CB 3.32Å; Y24-F75 HydrophobicContact CE1-CG 4.03Å; Y24-F75 HydrophobicContact CE2-CB 4.06Å; Y24-F75 AromaticContact CE2-CD2 3.8Å; Y24-F75 HydrophobicContact CE2-CD2 3.8Å; Y24-F75 HydrophobicContact CE2-CG 4.06Å; Y24-F75 HydrophobicContact CG-CB 4.33Å; Y24-F75 VanDerWaalsContact CZ-CB 3.47Å; Y24-F75 AromaticContact CZ-CD2 3.86Å; Y24-F75 AromaticContact CZ-CG 3.63Å; Y24-F75 PolarHBondContact N-O 3.24Å; Y24-F75 PolarHBondContact O-N 2.95Å; Y24-C77 HydrophobicContact CE1-CB 4.28Å; Y24-R82 HydrophobicContact CE1-CG 4.2Å; Y24-S85 WeakPolarHBondContact CE1-OG 3.18Å; Y24-S85 WeakPolarHBondContact OH-CB 3.01Å; Y24-S85 PolarHBondContact OH-OG 2.86Å
25A96.8Very high81.5Confident0 Ų049 Ų490%026%0.257CS..EExtended strand (participates in β ladder)trans-112140.4172.400000110.4I11 E42 T43 Y54 T72 E73 I74I11-A25 HydrophobicContact CB-CB 4.49Å; I11-A25 HydrophobicContact CG2-CB 3.95Å; A25-E42 CarbonylContact O-C 3.24Å; A25-E42 WeakPolarHBondContact O-CA 3.46Å; A25-T43 HydrophobicContact CB-CG2 3.93Å; A25-T43 PolarHBondContact N-OG1 2.98Å; A25-T43 PolarHBondContact O-N 2.8Å; A25-T43 PolarHBondContact O-OG1 3.42Å; A25-Y54 HydrophobicContact CB-CD2 4.15Å; A25-Y54 HydrophobicContact CB-CE2 3.85Å; A25-T72 HydrophobicContact CB-CG2 4.16Å; A25-E73 CarbonylContact C-O 3.52Å; A25-E73 VanDerWaalsContact CA-O 3.29Å; A25-E73 WeakPolarHBondContact CA-O 3.29Å; A25-I74 HydrophobicContact CB-CD1 3.64Å
26K96.7Very high80Confident40 Ų4053.2 Ų53.217%0.17428%0.275CS..EExtended strand (participates in β ladder)trans-105.7129.4161.2177.5174.1161.8-108.40107.3E37 V40 T41 E42 T72 E73 F75K26-E37 IonicContact NZ-OE2 3.88Å; K26-V40 HydrophobicContact CD-CG1 4.38Å; K26-V40 HydrophobicContact CG-CG1 4.16Å; K26-T41 WeakPolarHBondContact CA-O 3.38Å; K26-E42 HydrophobicContact CB-CG 4.05Å; K26-E42 HydrophobicContact CD-CG 4.3Å; K26-E42 HydrophobicContact CG-CG 3.98Å; K26-T72 CarbonylContact O-C 3.57Å; K26-T72 WeakPolarHBondContact O-CA 3.49Å; K26-E73 HydrophobicContact CB-CB 4.4Å; K26-E73 WeakPolarHBondContact CD-OE2 3.49Å; K26-E73 PolarHBondContact N-O 2.97Å; K26-E73 IonicContact NZ-OE2 2.78Å; K26-E73 PolarHBondContact NZ-OE2 3.03Å; K26-E73 PolarHBondContact O-N 2.84Å; K26-F75 HydrophobicContact CB-CD2 4.3Å; K26-F75 HydrophobicContact CB-CE2 3.79Å
27F94.8Very high78.8Confident0 Ų057.3 Ų57.30%029%0.294CS..EExtended strand (participates in β ladder)trans-137.5141.4178.860.5-69.2000111.4I9 I11 T41 T43 L58 T71 T72I9-F27 HydrophobicContact CB-CE2 4.31Å; I9-F27 HydrophobicContact CG2-CD2 4.45Å; I9-F27 HydrophobicContact CG2-CE2 4.29Å; I11-F27 HydrophobicContact CD1-CD2 4.4Å; I11-F27 HydrophobicContact CD1-CG 4.45Å; I11-F27 HydrophobicContact CG1-CB 4.34Å; I11-F27 HydrophobicContact CG1-CD1 3.92Å; I11-F27 HydrophobicContact CG1-CD2 4.03Å; I11-F27 HydrophobicContact CG1-CE1 4.2Å; I11-F27 HydrophobicContact CG1-CE2 4.24Å; I11-F27 HydrophobicContact CG1-CG 3.86Å; I11-F27 HydrophobicContact CG1-CZ 4.35Å; F27-T41 HydrophobicContact CE1-CG2 4.04Å; F27-T41 HydrophobicContact CZ-CG2 4.17Å; F27-T41 PolarHBondContact N-O 2.84Å; F27-T41 PolarHBondContact O-N 2.79Å; F27-T43 HydrophobicContact CD1-CG2 4.23Å; F27-T43 HydrophobicContact CE1-CG2 3.7Å; F27-L58 HydrophobicContact CD2-CB 4.09Å; F27-L58 HydrophobicContact CD2-CD2 4.43Å; F27-L58 HydrophobicContact CE2-CB 3.32Å; F27-L58 HydrophobicContact CE2-CD2 4.45Å; F27-L58 HydrophobicContact CE2-CG 4.47Å; F27-L58 HydrophobicContact CZ-CB 3.93Å; F27-T71 CarbonylContact C-O 3.58Å; F27-T71 WeakPolarHBondContact CA-O 3.38Å; F27-T72 HydrophobicContact CB-CG2 4.21Å
28S94.5Very high78.4Confident1 Ų161.2 Ų61.21%0.00731%0.308CS..EExtended strand (participates in β ladder)trans-135154.5-173.6670000110.5E37 I70 T71S28-E37 PolarHBondContact OG-OE1 3.09Å; S28-I70 WeakPolarHBondContact O-CA 3.44Å; S28-T71 PolarHBondContact N-O 3.34Å; S28-T71 PolarHBondContact O-N 3.45Å
29V94.5Very high79Confident0 Ų056.3 Ų56.30%029%0.288CS..EExtended strand (participates in β ladder)trans-120.5113.7174.9-179.60000109.9I9 K38 L58 L60 Q68 I69 I70I9-V29 HydrophobicContact CD1-CG2 3.96Å; V29-K38 CarbonylContact C-O 3.54Å; V29-K38 PolarHBondContact N-O 3.09Å; V29-K38 CarbonylContact O-C 3.53Å; V29-K38 VanDerWaalsContact O-C 3.29Å; V29-K38 WeakPolarHBondContact O-CA 3.11Å; V29-K38 WeakPolarHBondContact O-CB 3.16Å; V29-K38 PolarHBondContact O-N 3.5Å; V29-K38 VanDerWaalsContact O-N 3.14Å; V29-L58 HydrophobicContact CB-CD2 4.39Å; V29-L58 HydrophobicContact CG2-CD2 3.53Å; V29-L60 HydrophobicContact CB-CD1 4.24Å; V29-L60 HydrophobicContact CB-CD2 4.41Å; V29-L60 HydrophobicContact CG1-CD1 4.23Å; V29-L60 HydrophobicContact CG1-CD2 3.86Å; V29-L60 HydrophobicContact CG2-CD1 4.5Å; V29-L60 HydrophobicContact CG2-CD2 4.23Å; V29-Q68 HydrophobicContact CG1-CB 4.06Å; V29-I69 CarbonylContact C-O 3.47Å; V29-I69 WeakPolarHBondContact CA-O 3.32Å; V29-I70 HydrophobicContact CG2-CG1 4.19Å
30S91.6Very high80.4Confident10 Ų1058.5 Ų58.57%0.0730%0.302CS..EExtended strand (participates in β ladder)trans-99.1154.7173.361.50000111.2Q68 I69S30-Q68 WeakPolarHBondContact O-CA 3.24Å; S30-I69 PolarHBondContact N-O 3.15Å; S30-I69 PolarHBondContact O-N 2.87Å
31Y85.3Confident81.9Confident32 Ų3254.6 Ų54.613%0.12528%0.283CS..EExtended strand (participates in β ladder)trans-111.8138.6178.9-64.7-102.8000108.7K38 H39 L60 E66 Q68Y31-K38 HydrophobicContact CD2-CB 4.19Å; Y31-K38 HydrophobicContact CD2-CD 3.72Å; Y31-K38 HydrophobicContact CD2-CG 4.29Å; Y31-K38 HydrophobicContact CE2-CB 4.02Å; Y31-K38 HydrophobicContact CE2-CD 3.86Å; Y31-K38 HydrophobicContact CE2-CG 4.47Å; Y31-H39 AromaticContact CE2-CD2 3.98Å; Y31-L60 WeakPolarHBondContact OH-CD1 3.12Å; Y31-E66 VanDerWaalsContact CD1-OE2 3.26Å; Y31-E66 WeakPolarHBondContact CD1-OE2 3.28Å; Y31-Q68 HydrophobicContact CD1-CG 3.83Å; Y31-Q68 HydrophobicContact CE1-CG 3.67Å
32G65.9Low82.6Confident22 Ų2254.5 Ų54.523%0.22728%0.284CS..THydrogen-bonded Turntrans-46.4139.8-173.700000115.4K67G32-K67 PolarHBondContact N-O 2.91Å
33G58.9Low82.8Confident77 Ų7754.5 Ų54.579%0.79428%0.284SS*.THydrogen-bonded Turntrans93.5-18.4174.600000116
34Y52.5Low82.8Confident162 Ų16256.9 Ų56.964%0.63530%0.295SS*.  trans-135.5116.4174-62.5-86.6000109.2H36Y34-H36 PolarHBondContact O-N 3.12Å
35L51.7Low82.8Confident165 Ų16557.8 Ų57.886%0.86430%0.3SS*.  trans-67.516.7175-85.5151.6000113.5E37L35-E37 PolarHBondContact O-N 3.39Å
36H60.6Low82.7Confident143 Ų14359.1 Ų59.166%0.66231%0.308SS*.  trans-74.4110.4172.8-68.1-57.2000108.4Y34 K38Y34-H36 PolarHBondContact O-N 3.12Å; H36-K38 PolarHBondContact O-N 3.17Å; H36-K38 VanDerWaalsContact O-N 3.15Å
37E63.7Low82.5Confident88 Ų8862 Ų6241%0.41132%0.319SS..  trans-50.1122167.9-59.8-165.8127.200108.9K26 S28 L35 V40K26-E37 IonicContact NZ-OE2 3.88Å; S28-E37 PolarHBondContact OG-OE1 3.09Å; L35-E37 PolarHBondContact O-N 3.39Å; E37-V40 HydrophobicContact CB-CG2 3.91Å
38K75.3Confident82.2Confident113 Ų11365.1 Ų65.149%0.49134%0.336SS..EExtended strand (participates in β ladder)trans-107.6159.5163.4-65.7-169.5-175.9171.40107.5V29 Y31 H36 V40V29-K38 CarbonylContact C-O 3.54Å; V29-K38 PolarHBondContact N-O 3.09Å; V29-K38 CarbonylContact O-C 3.53Å; V29-K38 VanDerWaalsContact O-C 3.29Å; V29-K38 WeakPolarHBondContact O-CA 3.11Å; V29-K38 WeakPolarHBondContact O-CB 3.16Å; V29-K38 PolarHBondContact O-N 3.5Å; V29-K38 VanDerWaalsContact O-N 3.14Å; Y31-K38 HydrophobicContact CD2-CB 4.19Å; Y31-K38 HydrophobicContact CD2-CD 3.72Å; Y31-K38 HydrophobicContact CD2-CG 4.29Å; Y31-K38 HydrophobicContact CE2-CB 4.02Å; Y31-K38 HydrophobicContact CE2-CD 3.86Å; Y31-K38 HydrophobicContact CE2-CG 4.47Å; H36-K38 PolarHBondContact O-N 3.17Å; H36-K38 VanDerWaalsContact O-N 3.15Å; K38-V40 PolarHBondContact O-N 2.87Å
39H84.8Confident82.1Confident93 Ų9367.3 Ų67.343%0.43135%0.347SS..EExtended strand (participates in β ladder)trans49.767.5173.5-55.6-72.8000113Y31 L58 L60Y31-H39 AromaticContact CE2-CD2 3.98Å; H39-L58 HydrophobicContact CB-CD1 4.06Å; H39-L58 HydrophobicContact CB-CD2 4.1Å; H39-L58 HydrophobicContact CB-CG 4.46Å; H39-L58 WeakPolarHBondContact O-CD1 3.43Å; H39-L58 WeakPolarHBondContact O-CD2 3.47Å; H39-L60 HydrophobicContact CB-CD1 4.21Å
40V92Very high82Confident65 Ų6570.2 Ų70.239%0.39436%0.362SS..EExtended strand (participates in β ladder)trans-88.3137.4176.9-175.20000109.3K26 E37 K38K26-V40 HydrophobicContact CD-CG1 4.38Å; K26-V40 HydrophobicContact CG-CG1 4.16Å; E37-V40 HydrophobicContact CB-CG2 3.91Å; K38-V40 PolarHBondContact O-N 2.87Å
41T94.9Very high82Confident37 Ų3770.8 Ų70.823%0.22737%0.366CS..EExtended strand (participates in β ladder)trans-144.1145.1172.9-730000109.9K26 F27 T56 L58K26-T41 WeakPolarHBondContact CA-O 3.38Å; F27-T41 HydrophobicContact CE1-CG2 4.04Å; F27-T41 HydrophobicContact CZ-CG2 4.17Å; F27-T41 PolarHBondContact N-O 2.84Å; F27-T41 PolarHBondContact O-N 2.79Å; T41-T56 HydrophobicContact CG2-CG2 3.44Å; T41-T56 VanDerWaalsContact CG2-CG2 3.44Å; T41-L58 WeakPolarHBondContact OG1-CD1 3.33Å
42E96.7Very high82.5Confident85 Ų8569.3 Ų69.340%0.39736%0.36SS..EExtended strand (participates in β ladder)trans-112.4138.1171.9-62.1178.3-177.300108.8Y24 A25 K26 R82Y24-E42 HydrophobicContact CD2-CB 4.45Å; Y24-E42 HydrophobicContact CE2-CG 4.49Å; A25-E42 CarbonylContact O-C 3.24Å; A25-E42 WeakPolarHBondContact O-CA 3.46Å; K26-E42 HydrophobicContact CB-CG 4.05Å; K26-E42 HydrophobicContact CD-CG 4.3Å; K26-E42 HydrophobicContact CG-CG 3.98Å; E42-R82 IonicContact OE2-CZ 3.11Å; E42-R82 IonicContact OE2-NH1 2.94Å; E42-R82 PolarHBondContact OE2-NH1 3.42Å
43T97Very high83.8Confident1 Ų171.7 Ų71.71%0.00637%0.368CS..PPolyproline II helixtrans-72.7173.2175.569.10000111.3Y24 A25 F27 Y54 R82Y24-T43 WeakPolarHBondContact CB-OG1 3.48Å; A25-T43 HydrophobicContact CB-CG2 3.93Å; A25-T43 PolarHBondContact N-OG1 2.98Å; A25-T43 PolarHBondContact O-N 2.8Å; A25-T43 PolarHBondContact O-OG1 3.42Å; F27-T43 HydrophobicContact CD1-CG2 4.23Å; F27-T43 HydrophobicContact CE1-CG2 3.7Å; T43-Y54 HydrophobicContact CG2-CD1 4.22Å; T43-Y54 HydrophobicContact CG2-CD2 3.99Å; T43-Y54 HydrophobicContact CG2-CG 3.68Å; T43-Y54 VanDerWaalsContact OG1-CD1 3.3Å; T43-Y54 WeakPolarHBondContact OG1-CD1 3.24Å; T43-R82 PolarHBondContact O-NH1 2.82Å; T43-R82 PolarHBondContact O-NH2 3.4Å
44E95.6Very high85.6Confident49 Ų4968 Ų6823%0.22933%0.33CS..PPolyproline II helixtrans-64.1161.1163.670.1-86.1-150.200112.2Y24 V46 T55 T56Y24-E44 WeakPolarHBondContact CB-O 3.3Å; E44-V46 HydrophobicContact CG-CG2 4.28Å; E44-T55 WeakPolarHBondContact OE1-CB 3.45Å; E44-T55 PolarHBondContact OE1-N 2.99Å; E44-T55 PolarHBondContact OE1-OG1 3.3Å; E44-T55 PolarHBondContact OE2-N 2.71Å; E44-T56 PolarHBondContact N-OG1 3.47Å; E44-T56 VanDerWaalsContact OE2-CB 3.31Å; E44-T56 WeakPolarHBondContact OE2-CB 3.48Å; E44-T56 PolarHBondContact OE2-N 3.19Å; E44-T56 VanDerWaalsContact OE2-N 3.11Å; E44-T56 PolarHBondContact OE2-OG1 3.14Å
45L95.6Very high87.6Confident30 Ų3062.6 Ų62.616%0.15731%0.314CS..PPolyproline II helixtrans-78.7131.7169.5-71.1167.9000109.9A22 Y24 Y47 C77 R82A22-L45 HydrophobicContact CB-CD2 4.31Å; Y24-L45 HydrophobicContact CD1-CD2 3.55Å; Y24-L45 HydrophobicContact CE1-CD2 4.35Å; Y24-L45 HydrophobicContact CG-CD2 4.16Å; L45-Y47 HydrophobicContact CB-CE2 4.06Å; L45-C77 HydrophobicContact CD2-CB 4.34Å; L45-R82 HydrophobicContact CD1-CG 4.46Å; L45-R82 HydrophobicContact CD2-CG 4.44Å
46V94.7Very high89.7Confident29 Ų2956.6 Ų56.618%0.17628%0.284CS..EExtended strand (participates in β ladder)trans-117.4119.6173.4-177.30000109.1A22 S23 E44 N49 P52 Y54A22-V46 CarbonylContact C-O 3.57Å; A22-V46 VanDerWaalsContact CA-O 3.28Å; A22-V46 WeakPolarHBondContact CA-O 3.14Å; S23-V46 PolarHBondContact N-O 3.26Å; S23-V46 PolarHBondContact O-N 2.88Å; E44-V46 HydrophobicContact CG-CG2 4.28Å; V46-N49 HydrophobicContact CG1-CB 3.72Å; V46-P52 HydrophobicContact CB-CB 3.97Å; V46-P52 HydrophobicContact CG1-CB 3.94Å; V46-P52 HydrophobicContact CG2-CB 4.18Å; V46-Y54 HydrophobicContact CB-CE1 4.15Å; V46-Y54 HydrophobicContact CG2-CD1 3.64Å; V46-Y54 HydrophobicContact CG2-CE1 3.61Å
47Y92.4Very high91.3Very high101 Ų10153.5 Ų53.540%0.39627%0.267SS..EExtended strand (participates in β ladder)trans-90.2140.7-175.7-65.1-92.8000111.8K21 A22 L45 N49 E80K21-Y47 WeakPolarHBondContact O-CA 3.42Å; A22-Y47 HydrophobicContact CB-CD1 3.53Å; A22-Y47 HydrophobicContact CB-CD2 4.5Å; A22-Y47 HydrophobicContact CB-CE1 3.62Å; A22-Y47 HydrophobicContact CB-CG 3.98Å; L45-Y47 HydrophobicContact CB-CE2 4.06Å; Y47-N49 PolarHBondContact O-N 3.31Å; Y47-N49 VanDerWaalsContact O-N 3.11Å; Y47-E80 VanDerWaalsContact OH-CG 3.25Å; Y47-E80 WeakPolarHBondContact OH-CG 3.45Å
48N88.8Confident92.8Very high65 Ų6549.7 Ų49.735%0.34825%0.249SC..SBendtrans48.339.4171.1-55.1-39.5000114.6K21K21-N48 PolarHBondContact O-N 3.14Å; K21-N48 PolarHBondContact O-OD1 2.82Å
49N91.8Very high93.6Very high47 Ų4747.9 Ų47.925%0.25125%0.245SC..  trans-131.5113.4178.6-173.6-14.1000109.9L19 V46 Y47 S51 P52L19-N49 WeakPolarHBondContact CD1-O 3.36Å; V46-N49 HydrophobicContact CG1-CB 3.72Å; Y47-N49 PolarHBondContact O-N 3.31Å; Y47-N49 VanDerWaalsContact O-N 3.11Å; N49-S51 PolarHBondContact O-N 2.97Å; N49-S51 WeakPolarHBondContact OD1-CA 3.16Å; N49-S51 PolarHBondContact OD1-N 2.98Å; N49-S51 PolarHBondContact OD1-O 3.45Å; N49-P52 WeakPolarHBondContact O-CD 3.36Å
50L91.5Very high94Very high61 Ų6143.5 Ų43.532%0.31923%0.225SC..SBendtrans-74.1-14.8-179.6-50.9-178.3000112.8N15 I16 L19 P52N15-L50 PolarHBondContact N-O 3.16Å; N15-L50 VanDerWaalsContact N-O 3.1Å; I16-L50 WeakPolarHBondContact CG1-O 3.4Å; I16-L50 PolarHBondContact N-O 2.7Å; I16-L50 WeakPolarHBondContact O-CB 3.25Å; I16-L50 VanDerWaalsContact O-CD2 3.31Å; I16-L50 WeakPolarHBondContact O-CD2 3.36Å; L19-L50 HydrophobicContact CD1-CD2 4.1Å; L19-L50 HydrophobicContact CG-CD2 4.1Å; L50-P52 VanDerWaalsContact C-CD 3.45Å
51S93.5Very high94Very high22 Ų2245 Ų4515%0.15423%0.228CC..SBendtrans-129.762.4179.2-62.10000110.7C13 N15 N49 N53C13-S51 CarbonylContact O-C 3.58Å; C13-S51 VanDerWaalsContact O-C 3.24Å; C13-S51 WeakPolarHBondContact O-CA 3.45Å; N15-S51 PolarHBondContact N-OG 3.43Å; N49-S51 PolarHBondContact O-N 2.97Å; N49-S51 WeakPolarHBondContact OD1-CA 3.16Å; N49-S51 PolarHBondContact OD1-N 2.98Å; N49-S51 PolarHBondContact OD1-O 3.45Å; S51-N53 PolarHBondContact O-N 2.84Å
52P94.2Very high93.9Very high0 Ų043.5 Ų43.50%022%0.218CC..  trans-65.9134.6-175.829.7-36.1000111.2S12 C13 I16 V46 N49 L50 Y54S12-P52 CarbonylContact C-O 3.58Å; S12-P52 VanDerWaalsContact CA-O 3.28Å; S12-P52 WeakPolarHBondContact CA-O 3.19Å; S12-P52 WeakPolarHBondContact CB-O 3.06Å; C13-P52 HydrophobicContact CB-CG 3.91Å; C13-P52 PolarHBondContact N-O 3.1Å; I16-P52 HydrophobicContact CD1-CG 3.67Å; V46-P52 HydrophobicContact CB-CB 3.97Å; V46-P52 HydrophobicContact CG1-CB 3.94Å; V46-P52 HydrophobicContact CG2-CB 4.18Å; N49-P52 WeakPolarHBondContact O-CD 3.36Å; L50-P52 VanDerWaalsContact C-CD 3.45Å; P52-Y54 HydrophobicContact CB-CD1 4.46Å; P52-Y54 HydrophobicContact CB-CE1 3.85Å; P52-Y54 HydrophobicContact CB-CE2 4.26Å; P52-Y54 HydrophobicContact CG-CE1 4.24Å; P52-Y54 HydrophobicContact CG-CE2 4Å; P52-Y54 VanDerWaalsContact CG-OH 3.32Å; P52-Y54 WeakPolarHBondContact CG-OH 3.16Å
53N94.9Very high93.7Very high72 Ų7239.7 Ų39.739%0.38520%0.2SC..EExtended strand (participates in β ladder)trans-105.9100.2167.3-72.2-56.2000108.5S12 S51 Q564S12-N53 WeakPolarHBondContact CB-OD1 3.32Å; S12-N53 PolarHBondContact OG-OD1 2.68Å; S51-N53 PolarHBondContact O-N 2.84Å; N53-Q564 HydrophobicContact CB-CG 4.41Å
54Y95.6Very high93.6Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-74.4141.4-179.4-53.2-70.2000110.8I11 S23 Y24 A25 T43 V46 P52I11-Y54 HydrophobicContact CB-CD2 4.26Å; I11-Y54 HydrophobicContact CG2-CD2 4.12Å; I11-Y54 HydrophobicContact CG2-CE2 4.4Å; I11-Y54 WeakPolarHBondContact O-CB 3.43Å; I11-Y54 VanDerWaalsContact O-CD2 3.28Å; I11-Y54 WeakPolarHBondContact O-CD2 3.41Å; I11-Y54 PolarHBondContact O-N 3.37Å; S23-Y54 PolarHBondContact OG-OH 2.78Å; S23-Y54 VanDerWaalsContact OG-OH 3.05Å; Y24-Y54 WeakPolarHBondContact CA-OH 3.19Å; Y24-Y54 PolarHBondContact N-OH 2.81Å; A25-Y54 HydrophobicContact CB-CD2 4.15Å; A25-Y54 HydrophobicContact CB-CE2 3.85Å; T43-Y54 HydrophobicContact CG2-CD1 4.22Å; T43-Y54 HydrophobicContact CG2-CD2 3.99Å; T43-Y54 HydrophobicContact CG2-CG 3.68Å; T43-Y54 VanDerWaalsContact OG1-CD1 3.3Å; T43-Y54 WeakPolarHBondContact OG1-CD1 3.24Å; V46-Y54 HydrophobicContact CB-CE1 4.15Å; V46-Y54 HydrophobicContact CG2-CD1 3.64Å; V46-Y54 HydrophobicContact CG2-CE1 3.61Å; P52-Y54 HydrophobicContact CB-CD1 4.46Å; P52-Y54 HydrophobicContact CB-CE1 3.85Å; P52-Y54 HydrophobicContact CB-CE2 4.26Å; P52-Y54 HydrophobicContact CG-CE1 4.24Å; P52-Y54 HydrophobicContact CG-CE2 4Å; P52-Y54 VanDerWaalsContact CG-OH 3.32Å; P52-Y54 WeakPolarHBondContact CG-OH 3.16Å
55T94.3Very high93.5Very high48 Ų4838.7 Ų38.729%0.29420%0.195SC..EExtended strand (participates in β ladder)trans-95.6-21.2-178.962.20000112.5E44 R57 R560E44-T55 WeakPolarHBondContact OE1-CB 3.45Å; E44-T55 PolarHBondContact OE1-N 2.99Å; E44-T55 PolarHBondContact OE1-OG1 3.3Å; E44-T55 PolarHBondContact OE2-N 2.71Å; T55-R57 PolarHBondContact O-NE 3.02Å; T55-R560 HydrophobicContact CG2-CG 3.86Å
56T95.8Very high93.3Very high39 Ų3939.2 Ų39.224%0.23920%0.197CC..EExtended strand (participates in β ladder)trans-61.9137.6171.7-59.80000110.8T41 E44T41-T56 HydrophobicContact CG2-CG2 3.44Å; T41-T56 VanDerWaalsContact CG2-CG2 3.44Å; E44-T56 PolarHBondContact N-OG1 3.47Å; E44-T56 VanDerWaalsContact OE2-CB 3.31Å; E44-T56 WeakPolarHBondContact OE2-CB 3.48Å; E44-T56 PolarHBondContact OE2-N 3.19Å; E44-T56 VanDerWaalsContact OE2-N 3.11Å; E44-T56 PolarHBondContact OE2-OG1 3.14Å
57R94.6Very high93.2Very high78 Ų7840 Ų4029%0.29420%0.198SC..EExtended strand (participates in β ladder)trans-131143.9-175.7-70.8163-74.6159.6-7.7110.8I9 T55 T563I9-R57 CarbonylContact O-C 3.57Å; I9-R57 VanDerWaalsContact O-CA 3.26Å; I9-R57 WeakPolarHBondContact O-CA 3.43Å; T55-R57 PolarHBondContact O-NE 3.02Å; R57-T563 WeakPolarHBondContact CD-OG1 3.48Å; R57-T563 HydrophobicContact CG-CG2 3.92Å; R57-T563 VanDerWaalsContact CG-OG1 3.25Å; R57-T563 WeakPolarHBondContact CG-OG1 3.44Å
58L94.9Very high93.2Very high8 Ų835.3 Ų35.34%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-96.4120.2168.9-173.874.6000109.8Q8 I9 F27 V29 H39 T41Q8-L58 WeakPolarHBondContact CA-O 3.3Å; I9-L58 HydrophobicContact CB-CB 4.35Å; I9-L58 HydrophobicContact CD1-CD2 4.45Å; I9-L58 PolarHBondContact N-O 2.63Å; I9-L58 PolarHBondContact O-N 3.07Å; F27-L58 HydrophobicContact CD2-CB 4.09Å; F27-L58 HydrophobicContact CD2-CD2 4.43Å; F27-L58 HydrophobicContact CE2-CB 3.32Å; F27-L58 HydrophobicContact CE2-CD2 4.45Å; F27-L58 HydrophobicContact CE2-CG 4.47Å; F27-L58 HydrophobicContact CZ-CB 3.93Å; V29-L58 HydrophobicContact CB-CD2 4.39Å; V29-L58 HydrophobicContact CG2-CD2 3.53Å; H39-L58 HydrophobicContact CB-CD1 4.06Å; H39-L58 HydrophobicContact CB-CD2 4.1Å; H39-L58 HydrophobicContact CB-CG 4.46Å; H39-L58 WeakPolarHBondContact O-CD1 3.43Å; H39-L58 WeakPolarHBondContact O-CD2 3.47Å; T41-L58 WeakPolarHBondContact OG1-CD1 3.33Å
59N92.1Very high93.5Very high75 Ų7533.9 Ų33.940%0.40117%0.172SC..EExtended strand (participates in β ladder)trans-88.2124.5173.3-64-44.2000109.6Q8Q8-N59 VanDerWaalsContact CG-OD1 3.25Å; Q8-N59 WeakPolarHBondContact CG-OD1 3.12Å; Q8-N59 PolarHBondContact NE2-OD1 3.09Å
60L92.8Very high93.7Very high2 Ų231.7 Ų31.71%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-132.5142.3-174.6-169.276.6000110.9R6 I7 I9 V29 Y31 H39 V95R6-L60 CarbonylContact C-O 3.55Å; R6-L60 WeakPolarHBondContact CA-O 3.39Å; I7-L60 HydrophobicContact CD1-CB 4.49Å; I7-L60 HydrophobicContact CD1-CD2 4.15Å; I7-L60 HydrophobicContact CG1-CB 3.95Å; I7-L60 HydrophobicContact CG1-CD2 4.46Å; I7-L60 PolarHBondContact N-O 3.28Å; I7-L60 PolarHBondContact O-N 2.72Å; I9-L60 HydrophobicContact CD1-CD2 4.34Å; V29-L60 HydrophobicContact CB-CD1 4.24Å; V29-L60 HydrophobicContact CB-CD2 4.41Å; V29-L60 HydrophobicContact CG1-CD1 4.23Å; V29-L60 HydrophobicContact CG1-CD2 3.86Å; V29-L60 HydrophobicContact CG2-CD1 4.5Å; V29-L60 HydrophobicContact CG2-CD2 4.23Å; Y31-L60 WeakPolarHBondContact OH-CD1 3.12Å; H39-L60 HydrophobicContact CB-CD1 4.21Å; L60-V95 HydrophobicContact CD2-CG2 4.16Å
61E92Very high93.9Very high97 Ų9730 Ų3045%0.45315%0.153SC..EExtended strand (participates in β ladder)trans-75.7120.4164.2-176.9179.298.800108.9K4 Q68K4-E61 HydrophobicContact CB-CG 3.57Å; K4-E61 HydrophobicContact CD-CG 3.97Å; K4-E61 WeakPolarHBondContact CD-OE1 3.39Å; K4-E61 HydrophobicContact CG-CG 4.43Å; E61-Q68 PolarHBondContact O-OE1 3.45Å
62Y93.9Very high94.1Very high5 Ų529 Ų292%0.0215%0.145CC..  trans-80.3124.9178.2170.6-104.5000110.8P5 F64 V95 I99 F286 L287 Y344P5-Y62 HydrophobicContact CG-CD1 3.77Å; P5-Y62 PolarHBondContact O-N 2.55Å; Y62-F64 HydrophobicContact CE1-CB 3.89Å; Y62-F64 WeakPolarHBondContact OH-CD2 3.4Å; Y62-V95 HydrophobicContact CD2-CG1 3.75Å; Y62-V95 HydrophobicContact CE2-CG1 4.01Å; Y62-I99 HydrophobicContact CD2-CD1 3.79Å; Y62-I99 HydrophobicContact CE2-CD1 3.61Å; Y62-F286 HydrophobicContact CE1-CD1 4.29Å; Y62-F286 HydrophobicContact CE1-CE1 4.18Å; Y62-L287 HydrophobicContact CD1-CD1 4.29Å; Y62-L287 HydrophobicContact CD1-CD2 3.87Å; Y62-L287 HydrophobicContact CD1-CG 4.38Å; Y62-L287 HydrophobicContact CE1-CD2 3.56Å; Y62-L287 HydrophobicContact CE1-CG 4.4Å; Y62-L287 HydrophobicContact CE2-CD2 4.5Å; Y62-L287 HydrophobicContact CG-CD2 4.43Å; Y62-Y344 WeakPolarHBondContact OH-CE1 3.05Å; Y62-Y344 VanDerWaalsContact OH-CZ 3.29Å; Y62-Y344 PolarHBondContact OH-OH 3.02Å
63C92.8Very high94.2Very high4 Ų431 Ų313%0.02716%0.155CC..  trans-113.2106.5172.8-57.70000108.5K4 E65 E66 Q68K4-C63 PolarHBondContact NZ-SG 2.95Å; C63-E65 PolarHBondContact O-N 3.07Å; C63-E66 HydrophobicContact CB-CB 3.97Å; C63-E66 HydrophobicContact CB-CG 4.08Å; C63-E66 PolarHBondContact O-N 3.24Å; C63-Q68 PolarHBondContact O-NE2 3.43Å
64F94.8Very high94.3Very high8 Ų827.6 Ų27.64%0.03514%0.137CC..THydrogen-bonded Turntrans-58.6-38.7177.2169.7-108.5000111.2Y62 E66 F286 I296 I340 L341 Y344 L521 L524 P525Y62-F64 HydrophobicContact CE1-CB 3.89Å; Y62-F64 WeakPolarHBondContact OH-CD2 3.4Å; F64-E66 PolarHBondContact O-N 3.37Å; F64-F286 AromaticContact CD2-CE1 3.67Å; F64-F286 HydrophobicContact CD2-CE1 3.67Å; F64-F286 AromaticContact CD2-CZ 3.65Å; F64-F286 HydrophobicContact CD2-CZ 3.65Å; F64-F286 HydrophobicContact CE2-CE1 4.18Å; F64-F286 AromaticContact CE2-CZ 3.67Å; F64-F286 HydrophobicContact CE2-CZ 3.67Å; F64-F286 HydrophobicContact CG-CE1 4.25Å; F64-F286 HydrophobicContact CG-CZ 4.37Å; F64-F286 HydrophobicContact CZ-CZ 4.4Å; F64-I296 HydrophobicContact CE2-CD1 4.04Å; F64-I296 HydrophobicContact CZ-CD1 4.17Å; F64-I340 WeakPolarHBondContact O-CG2 3.39Å; F64-L341 HydrophobicContact CE1-CD2 4.22Å; F64-L341 HydrophobicContact CE2-CD2 4.27Å; F64-L341 HydrophobicContact CZ-CD2 3.51Å; F64-Y344 HydrophobicContact CD2-CE1 4.42Å; F64-Y344 HydrophobicContact CD2-CE2 4.04Å; F64-Y344 AromaticContact CD2-CZ 3.91Å; F64-Y344 HydrophobicContact CE2-CD2 4.04Å; F64-Y344 HydrophobicContact CE2-CE1 4.46Å; F64-Y344 AromaticContact CE2-CE2 3.82Å; F64-Y344 HydrophobicContact CE2-CE2 3.82Å; F64-Y344 HydrophobicContact CE2-CG 4.45Å; F64-L521 HydrophobicContact CD1-CB 4.24Å; F64-L521 HydrophobicContact CE1-CB 3.99Å; F64-L524 HydrophobicContact CE1-CB 4.08Å; F64-L524 HydrophobicContact CE1-CD2 3.86Å; F64-L524 HydrophobicContact CE1-CG 4.25Å; F64-L524 HydrophobicContact CZ-CD2 3.74Å; F64-L524 HydrophobicContact CZ-CG 4.36Å; F64-P525 HydrophobicContact CB-CG 4.19Å; F64-P525 HydrophobicContact CD1-CG 3.5Å; F64-P525 VanDerWaalsContact CD1-CG 3.5Å; F64-P525 HydrophobicContact CE1-CG 4.02Å; F64-P525 HydrophobicContact CG-CG 3.87Å
65E93.3Very high94.2Very high22 Ų2228.9 Ų28.910%0.10314%0.142CC..THydrogen-bonded Turntrans-82.88.5-173.774.7-75.3-17100114.6K4 C63 I340 K518 L521K4-E65 WeakPolarHBondContact CE-OE1 3.37Å; K4-E65 IonicContact NZ-OE1 2.96Å; K4-E65 PolarHBondContact NZ-OE1 3.24Å; K4-E65 IonicContact NZ-OE2 3.43Å; C63-E65 PolarHBondContact O-N 3.07Å; E65-I340 WeakPolarHBondContact O-CD1 3.43Å; E65-K518 HydrophobicContact CG-CB 3.93Å; E65-K518 HydrophobicContact CG-CD 4.49Å; E65-K518 HydrophobicContact CG-CG 3.86Å; E65-L521 HydrophobicContact CB-CB 3.9Å
66E90.8Very high94.2Very high41 Ų4127.8 Ų27.819%0.19213%0.134CC..SBendtrans-132.5136.4179.5-60.5-172-162.200111.3Y31 C63 F64 Q68 V514Y31-E66 VanDerWaalsContact CD1-OE2 3.26Å; Y31-E66 WeakPolarHBondContact CD1-OE2 3.28Å; C63-E66 HydrophobicContact CB-CB 3.97Å; C63-E66 HydrophobicContact CB-CG 4.08Å; C63-E66 PolarHBondContact O-N 3.24Å; F64-E66 PolarHBondContact O-N 3.37Å; E66-Q68 PolarHBondContact O-N 2.9Å; E66-Q68 VanDerWaalsContact O-N 3.16Å; E66-V514 HydrophobicContact CG-CG1 4.44Å
67K91.7Very high94Very high44 Ų4426 Ų2619%0.19112%0.123CC..  trans-74107.6171.3-172.2169-166.9139.60109.4G32 I69 E339 I340 E343G32-K67 PolarHBondContact N-O 2.91Å; K67-I69 HydrophobicContact CG-CG1 4.16Å; K67-E339 HydrophobicContact CD-CG 3.67Å; K67-E339 PolarHBondContact NZ-O 2.93Å; K67-I340 HydrophobicContact CB-CG1 4.28Å; K67-E343 IonicContact NZ-OE1 3.82Å; K67-E343 PolarHBondContact NZ-OE1 2.87Å
68Q93.6Very high93.6Very high4 Ų426.3 Ų26.32%0.01913%0.128CC..EExtended strand (participates in β ladder)trans-104.1116.8177.9-61.6174.4106.200109.1V29 S30 Y31 E61 C63 E66 T94 V95V29-Q68 HydrophobicContact CG1-CB 4.06Å; S30-Q68 WeakPolarHBondContact O-CA 3.24Å; Y31-Q68 HydrophobicContact CD1-CG 3.83Å; Y31-Q68 HydrophobicContact CE1-CG 3.67Å; E61-Q68 PolarHBondContact O-OE1 3.45Å; C63-Q68 PolarHBondContact O-NE2 3.43Å; E66-Q68 PolarHBondContact O-N 2.9Å; E66-Q68 VanDerWaalsContact O-N 3.16Å; Q68-T94 CarbonylContact O-C 3.56Å; Q68-T94 WeakPolarHBondContact O-CA 3.49Å; Q68-V95 HydrophobicContact CB-CB 3.99Å; Q68-V95 HydrophobicContact CB-CG2 3.63Å; Q68-V95 PolarHBondContact O-N 2.89Å
69I94.9Very high93.2Very high35 Ų3532.3 Ų32.318%0.17915%0.15CC..EExtended strand (participates in β ladder)trans-106.3122.9-172.6-57.7170.8000108.9V29 S30 K67 Q92 C93V29-I69 CarbonylContact C-O 3.47Å; V29-I69 WeakPolarHBondContact CA-O 3.32Å; S30-I69 PolarHBondContact N-O 3.15Å; S30-I69 PolarHBondContact O-N 2.87Å; K67-I69 HydrophobicContact CG-CG1 4.16Å; I69-Q92 HydrophobicContact CG2-CG 3.5Å; I69-Q92 VanDerWaalsContact CG2-CG 3.5Å; I69-Q92 VanDerWaalsContact CG2-NE2 3.27Å; I69-C93 CarbonylContact C-O 3.37Å; I69-C93 WeakPolarHBondContact CA-O 3.36Å
70I96.1Very high93.1Very high0 Ų036.3 Ų36.30%017%0.166CC..EExtended strand (participates in β ladder)trans-90.7124174.4-56.9166000107.5I9 S28 V29 Q92 C93 V95 V98 V127 I129I9-I70 HydrophobicContact CD1-CD1 4Å; I9-I70 HydrophobicContact CD1-CG1 4.22Å; I9-I70 HydrophobicContact CG2-CD1 4.39Å; S28-I70 WeakPolarHBondContact O-CA 3.44Å; V29-I70 HydrophobicContact CG2-CG1 4.19Å; I70-Q92 VanDerWaalsContact O-CA 3.31Å; I70-Q92 WeakPolarHBondContact O-CA 3.24Å; I70-C93 PolarHBondContact N-O 2.94Å; I70-C93 PolarHBondContact O-N 3.09Å; I70-V95 HydrophobicContact CD1-CG2 3.89Å; I70-V95 HydrophobicContact CG1-CG2 3.87Å; I70-V98 HydrophobicContact CD1-CG2 4.35Å; I70-V127 HydrophobicContact CD1-CG1 4Å; I70-I129 HydrophobicContact CD1-CD1 3.8Å
71T96.1Very high93Very high27 Ų2740.4 Ų40.417%0.16619%0.188CC..EExtended strand (participates in β ladder)trans-111.9128166.2-58.70000107.5F27 S28 E73F27-T71 CarbonylContact C-O 3.58Å; F27-T71 WeakPolarHBondContact CA-O 3.38Å; S28-T71 PolarHBondContact N-O 3.34Å; S28-T71 PolarHBondContact O-N 3.45Å; T71-E73 HydrophobicContact CG2-CG 4.42Å
72T97.5Very high93.1Very high0 Ų038.9 Ų38.90%018%0.178CC..EExtended strand (participates in β ladder)trans-123.3119.3176.9-59.20000108.8I11 A25 K26 F27 I74 Y90 I91 V125I11-T72 HydrophobicContact CD1-CG2 4.01Å; I11-T72 WeakPolarHBondContact CD1-OG1 3.48Å; I11-T72 HydrophobicContact CG1-CG2 4.11Å; I11-T72 HydrophobicContact CG2-CG2 3.81Å; A25-T72 HydrophobicContact CB-CG2 4.16Å; K26-T72 CarbonylContact O-C 3.57Å; K26-T72 WeakPolarHBondContact O-CA 3.49Å; F27-T72 HydrophobicContact CB-CG2 4.21Å; T72-I74 HydrophobicContact CG2-CD1 3.73Å; T72-Y90 CarbonylContact O-C 3.54Å; T72-Y90 WeakPolarHBondContact O-CA 3.5Å; T72-Y90 VanDerWaalsContact O-CB 3.29Å; T72-Y90 WeakPolarHBondContact O-CB 3.47Å; T72-I91 PolarHBondContact N-O 2.8Å; T72-I91 PolarHBondContact O-N 2.83Å; T72-V125 HydrophobicContact CG2-CG1 4.18Å
73E96.9Very high92.9Very high42 Ų4245.4 Ų45.420%0.19621%0.209CC..EExtended strand (participates in β ladder)trans-104128.9177.5-60.8176.1119.800108.8A25 K26 T71 F75 L87A25-E73 CarbonylContact C-O 3.52Å; A25-E73 VanDerWaalsContact CA-O 3.29Å; A25-E73 WeakPolarHBondContact CA-O 3.29Å; K26-E73 HydrophobicContact CB-CB 4.4Å; K26-E73 WeakPolarHBondContact CD-OE2 3.49Å; K26-E73 PolarHBondContact N-O 2.97Å; K26-E73 IonicContact NZ-OE2 2.78Å; K26-E73 PolarHBondContact NZ-OE2 3.03Å; K26-E73 PolarHBondContact O-N 2.84Å; T71-E73 HydrophobicContact CG2-CG 4.42Å; E73-F75 HydrophobicContact CB-CD2 4.31Å; E73-F75 HydrophobicContact CB-CE2 3.51Å; E73-F75 HydrophobicContact CB-CZ 4.13Å; E73-L87 HydrophobicContact CB-CD1 3.8Å; E73-L87 HydrophobicContact CG-CD1 4.4Å
74I95.6Very high92.8Very high1 Ų147.7 Ų47.71%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-105.3127.2-179.7-51.7-55.8000109C13 I16 A25 T72 L88 G89 I109 V125C13-I74 VanDerWaalsContact SG-CD1 3.55Å; I16-I74 HydrophobicContact CD1-CG2 4.27Å; A25-I74 HydrophobicContact CB-CD1 3.64Å; T72-I74 HydrophobicContact CG2-CD1 3.73Å; I74-L88 HydrophobicContact CG2-CD1 4.24Å; I74-L88 WeakPolarHBondContact O-CB 3.45Å; I74-L88 PolarHBondContact O-N 2.82Å; I74-G89 PolarHBondContact N-O 2.78Å; I74-I109 HydrophobicContact CB-CD1 4.2Å; I74-I109 HydrophobicContact CG1-CD1 4.09Å; I74-V125 HydrophobicContact CD1-CG2 4.21Å; I74-V125 HydrophobicContact CG1-CG2 3.94Å
75F94.9Very high92.7Very high27 Ų2749 Ų4912%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-116.6145.1-178.1-68-92.7000111.2S23 Y24 K26 E73 V86 L87S23-F75 WeakPolarHBondContact CA-O 3.33Å; S23-F75 WeakPolarHBondContact CB-O 3.3Å; Y24-F75 HydrophobicContact CD1-CB 3.78Å; Y24-F75 HydrophobicContact CD2-CB 4.46Å; Y24-F75 HydrophobicContact CD2-CD2 4.44Å; Y24-F75 HydrophobicContact CE1-CB 3.32Å; Y24-F75 HydrophobicContact CE1-CG 4.03Å; Y24-F75 HydrophobicContact CE2-CB 4.06Å; Y24-F75 AromaticContact CE2-CD2 3.8Å; Y24-F75 HydrophobicContact CE2-CD2 3.8Å; Y24-F75 HydrophobicContact CE2-CG 4.06Å; Y24-F75 HydrophobicContact CG-CB 4.33Å; Y24-F75 VanDerWaalsContact CZ-CB 3.47Å; Y24-F75 AromaticContact CZ-CD2 3.86Å; Y24-F75 AromaticContact CZ-CG 3.63Å; Y24-F75 PolarHBondContact N-O 3.24Å; Y24-F75 PolarHBondContact O-N 2.95Å; K26-F75 HydrophobicContact CB-CD2 4.3Å; K26-F75 HydrophobicContact CB-CE2 3.79Å; E73-F75 HydrophobicContact CB-CD2 4.31Å; E73-F75 HydrophobicContact CB-CE2 3.51Å; E73-F75 HydrophobicContact CB-CZ 4.13Å; F75-V86 VanDerWaalsContact CA-O 3.31Å; F75-V86 WeakPolarHBondContact CA-O 3.41Å; F75-L87 HydrophobicContact CD1-CB 4.1Å; F75-L87 HydrophobicContact CD1-CD1 4.41Å; F75-L87 HydrophobicContact CE1-CB 3.74Å; F75-L87 HydrophobicContact CE1-CD1 4Å; F75-L87 HydrophobicContact CE1-CG 4.43Å; F75-L87 HydrophobicContact CE2-CD1 4.1Å; F75-L87 HydrophobicContact CZ-CB 4.36Å; F75-L87 HydrophobicContact CZ-CD1 3.82Å
76E92.7Very high92.7Very high25 Ų2551.1 Ų51.112%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-102.4143.8161.1175171.1-124.300109.6L19 L20 A22 S85 V86 L88L19-E76 VanDerWaalsContact CA-OE1 3.24Å; L19-E76 WeakPolarHBondContact CA-OE1 3.38Å; L20-E76 PolarHBondContact N-OE1 2.92Å; A22-E76 CarbonylContact O-C 3.54Å; A22-E76 WeakPolarHBondContact O-CA 3.49Å; E76-S85 CarbonylContact O-C 3.46Å; E76-S85 WeakPolarHBondContact O-CA 3.33Å; E76-V86 PolarHBondContact N-O 3.1Å; E76-V86 PolarHBondContact O-N 2.91Å; E76-L88 HydrophobicContact CB-CD1 4.15Å; E76-L88 HydrophobicContact CB-CD2 3.99Å; E76-L88 HydrophobicContact CB-CG 4.08Å
77C91.5Very high92.9Very high2 Ų251.2 Ų51.21%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-147.5153.1176.6-170.70000111.9A22 Y24 L45 R79 R82 N84A22-C77 PolarHBondContact N-O 2.88Å; A22-C77 VanDerWaalsContact N-O 3.15Å; A22-C77 PolarHBondContact O-N 3.47Å; Y24-C77 HydrophobicContact CE1-CB 4.28Å; L45-C77 HydrophobicContact CD2-CB 4.34Å; C77-R79 PolarHBondContact SG-N 2.93Å; C77-R79 VanDerWaalsContact SG-N 3.43Å; C77-R79 PolarHBondContact SG-O 2.99Å; C77-R82 VanDerWaalsContact SG-CA 3.51Å; C77-N84 PolarHBondContact SG-OD1 3.25Å
78E86.9Confident92.9Very high84 Ų8449.7 Ų49.739%0.39324%0.24SC..SBendtrans-101.3-29.3174-64.2-168.2-172.800114.4K21 N84K21-E78 HydrophobicContact CD-CB 3.71Å; K21-E78 HydrophobicContact CD-CG 3.91Å; K21-E78 HydrophobicContact CG-CB 4.4Å; K21-E78 HydrophobicContact CG-CG 4.18Å; K21-E78 IonicContact NZ-OE2 3.67Å; K21-E78 PolarHBondContact NZ-OE2 3.17Å; E78-N84 WeakPolarHBondContact CB-ND2 3.43Å; E78-N84 WeakPolarHBondContact CG-ND2 3.39Å; E78-N84 PolarHBondContact N-ND2 3.34Å; E78-N84 PolarHBondContact N-OD1 3.17Å
79R87.4Confident93Very high133 Ų13349.5 Ų49.550%0.50224%0.24SC..SBendtrans-102.9148.6-175.7-63.4179.5178.2-173.40.6111.2C77 D81 R82 E83 N84C77-R79 PolarHBondContact SG-N 2.93Å; C77-R79 VanDerWaalsContact SG-N 3.43Å; C77-R79 PolarHBondContact SG-O 2.99Å; R79-D81 WeakPolarHBondContact CB-OD1 3.41Å; R79-D81 PolarHBondContact O-N 3.23Å; R79-R82 PolarHBondContact O-N 3.05Å; R79-E83 IonicContact NH1-OE2 2.66Å; R79-E83 PolarHBondContact NH1-OE2 3Å; R79-N84 WeakPolarHBondContact CB-OD1 3.49Å; R79-N84 WeakPolarHBondContact CG-OD1 3.48Å; R79-N84 PolarHBondContact N-OD1 2.96Å
80E88.3Confident93Very high159 Ų15952.7 Ų52.774%0.74325%0.25SS*.THydrogen-bonded Turntrans-62.9-30.8175.2-77-177.6176.800112.9Y47 R82Y47-E80 VanDerWaalsContact OH-CG 3.25Å; Y47-E80 WeakPolarHBondContact OH-CG 3.45Å; E80-R82 PolarHBondContact O-N 3.13Å
81D91.6Very high93.1Very high89 Ų8952.8 Ų52.848%0.47625%0.251SS..THydrogen-bonded Turntrans-76.8-4.9179.961.418.2000114.4R79 E83R79-D81 WeakPolarHBondContact CB-OD1 3.41Å; R79-D81 PolarHBondContact O-N 3.23Å; D81-E83 HydrophobicContact CB-CG 4.33Å; D81-E83 PolarHBondContact O-N 3.38Å; D81-E83 WeakPolarHBondContact OD1-CB 3.22Å; D81-E83 PolarHBondContact OD1-N 2.86Å
82R93Very high93.1Very high64 Ų6456.7 Ų56.724%0.24227%0.267CS..  trans65.58.3-179.7-54.9175.3-170.5-170.2-8.4115.2Y24 E42 T43 L45 C77 R79 E80 N84 S85Y24-R82 HydrophobicContact CE1-CG 4.2Å; E42-R82 IonicContact OE2-CZ 3.11Å; E42-R82 IonicContact OE2-NH1 2.94Å; E42-R82 PolarHBondContact OE2-NH1 3.42Å; T43-R82 PolarHBondContact O-NH1 2.82Å; T43-R82 PolarHBondContact O-NH2 3.4Å; L45-R82 HydrophobicContact CD1-CG 4.46Å; L45-R82 HydrophobicContact CD2-CG 4.44Å; C77-R82 VanDerWaalsContact SG-CA 3.51Å; R79-R82 PolarHBondContact O-N 3.05Å; E80-R82 PolarHBondContact O-N 3.13Å; R82-N84 PolarHBondContact O-N 2.67Å; R82-S85 WeakPolarHBondContact CB-OG 3.43Å; R82-S85 WeakPolarHBondContact O-CB 3.32Å; R82-S85 PolarHBondContact O-N 3.23Å; R82-S85 VanDerWaalsContact O-N 3.12Å; R82-S85 PolarHBondContact O-OG 3.43Å
83E89.9Confident93.1Very high143 Ų14357.3 Ų57.367%0.66827%0.271SS*.THydrogen-bonded Turntrans-62-30.1-175.1-75.6-171.3161.400113.5R79 D81R79-E83 IonicContact NH1-OE2 2.66Å; R79-E83 PolarHBondContact NH1-OE2 3Å; D81-E83 HydrophobicContact CB-CG 4.33Å; D81-E83 PolarHBondContact O-N 3.38Å; D81-E83 WeakPolarHBondContact OD1-CB 3.22Å; D81-E83 PolarHBondContact OD1-N 2.86Å
84N90.6Very high93Very high51 Ų5156 Ų5627%0.27327%0.266SS..THydrogen-bonded Turntrans-101.825.2-179.280.3-65.3000113C77 E78 R79 R82 V86C77-N84 PolarHBondContact SG-OD1 3.25Å; E78-N84 WeakPolarHBondContact CB-ND2 3.43Å; E78-N84 WeakPolarHBondContact CG-ND2 3.39Å; E78-N84 PolarHBondContact N-ND2 3.34Å; E78-N84 PolarHBondContact N-OD1 3.17Å; R79-N84 WeakPolarHBondContact CB-OD1 3.49Å; R79-N84 WeakPolarHBondContact CG-OD1 3.48Å; R79-N84 PolarHBondContact N-OD1 2.96Å; R82-N84 PolarHBondContact O-N 2.67Å; N84-V86 PolarHBondContact O-N 3.33Å
85S93.8Very high93.1Very high35 Ų3556 Ų5625%0.24527%0.266CS..  trans-60.4135.1-179.9-64.20000111.9Y24 E76 R82Y24-S85 WeakPolarHBondContact CE1-OG 3.18Å; Y24-S85 WeakPolarHBondContact OH-CB 3.01Å; Y24-S85 PolarHBondContact OH-OG 2.86Å; E76-S85 CarbonylContact O-C 3.46Å; E76-S85 WeakPolarHBondContact O-CA 3.33Å; R82-S85 WeakPolarHBondContact CB-OG 3.43Å; R82-S85 WeakPolarHBondContact O-CB 3.32Å; R82-S85 PolarHBondContact O-N 3.23Å; R82-S85 VanDerWaalsContact O-N 3.12Å; R82-S85 PolarHBondContact O-OG 3.43Å
86V92.8Very high93.2Very high67 Ų6755 Ų5541%0.40626%0.263SS..EExtended strand (participates in β ladder)trans-116.9124.5174.81780000108.6F75 E76 N84 L88 I115F75-V86 VanDerWaalsContact CA-O 3.31Å; F75-V86 WeakPolarHBondContact CA-O 3.41Å; E76-V86 PolarHBondContact N-O 3.1Å; E76-V86 PolarHBondContact O-N 2.91Å; N84-V86 PolarHBondContact O-N 3.33Å; V86-L88 PolarHBondContact O-N 2.87Å; V86-I115 HydrophobicContact CG1-CD1 3.58Å
87L94.3Very high93.4Very high43 Ų4357.4 Ų57.423%0.22527%0.271CS..EExtended strand (participates in β ladder)trans-72.4112.3175.2176.764000109.8E73 F75 G89 N112E73-L87 HydrophobicContact CB-CD1 3.8Å; E73-L87 HydrophobicContact CG-CD1 4.4Å; F75-L87 HydrophobicContact CD1-CB 4.1Å; F75-L87 HydrophobicContact CD1-CD1 4.41Å; F75-L87 HydrophobicContact CE1-CB 3.74Å; F75-L87 HydrophobicContact CE1-CD1 4Å; F75-L87 HydrophobicContact CE1-CG 4.43Å; F75-L87 HydrophobicContact CE2-CD1 4.1Å; F75-L87 HydrophobicContact CZ-CB 4.36Å; F75-L87 HydrophobicContact CZ-CD1 3.82Å; L87-G89 WeakPolarHBondContact CD1-O 3.12Å; L87-N112 WeakPolarHBondContact O-CB 3.41Å; L87-N112 PolarHBondContact O-ND2 2.89Å
88L92.9Very high93.7Very high12 Ų1257.3 Ų57.36%0.06327%0.271CS..EExtended strand (participates in β ladder)trans-74-46.6176-64.9-175.6000111.1I16 I74 E76 V86 W111 N112 I115I16-L88 HydrophobicContact CG2-CD1 3.74Å; I74-L88 HydrophobicContact CG2-CD1 4.24Å; I74-L88 WeakPolarHBondContact O-CB 3.45Å; I74-L88 PolarHBondContact O-N 2.82Å; E76-L88 HydrophobicContact CB-CD1 4.15Å; E76-L88 HydrophobicContact CB-CD2 3.99Å; E76-L88 HydrophobicContact CB-CG 4.08Å; V86-L88 PolarHBondContact O-N 2.87Å; L88-W111 HydrophobicContact CB-CZ3 4.01Å; L88-W111 VanDerWaalsContact O-CE3 3.27Å; L88-N112 PolarHBondContact O-N 2.87Å; L88-I115 HydrophobicContact CD2-CD1 4.42Å
89G94.4Very high94.2Very high0 Ų053.3 Ų53.30%025%0.252CS..EExtended strand (participates in β ladder)trans172.2-172.5-176.300000111.8I74 L87 T110I74-G89 PolarHBondContact N-O 2.78Å; L87-G89 WeakPolarHBondContact CD1-O 3.12Å; G89-T110 CarbonylContact C-O 3.36Å; G89-T110 WeakPolarHBondContact CA-O 3.48Å
90Y96.4Very high94.6Very high102 Ų10247.6 Ų47.640%0.423%0.231SC..EExtended strand (participates in β ladder)trans-148163.6-175.969.8-81.1000113T72 T110T72-Y90 CarbonylContact O-C 3.54Å; T72-Y90 WeakPolarHBondContact O-CA 3.5Å; T72-Y90 VanDerWaalsContact O-CB 3.29Å; T72-Y90 WeakPolarHBondContact O-CB 3.47Å; Y90-T110 HydrophobicContact CD1-CG2 4.45Å; Y90-T110 HydrophobicContact CE1-CG2 3.73Å; Y90-T110 PolarHBondContact N-O 2.88Å; Y90-T110 WeakPolarHBondContact O-CB 3.48Å; Y90-T110 PolarHBondContact O-N 2.88Å
91I97.6Very high95Very high3 Ų342.2 Ų42.22%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-125.4160.316361.371.9000110T72 L107 P108 V125 V127T72-I91 PolarHBondContact N-O 2.8Å; T72-I91 PolarHBondContact O-N 2.83Å; I91-L107 HydrophobicContact CB-CB 4.27Å; I91-L107 HydrophobicContact CB-CD1 4.27Å; I91-L107 HydrophobicContact CD1-CD1 4.32Å; I91-L107 HydrophobicContact CG1-CD1 4.48Å; I91-L107 HydrophobicContact CG2-CB 3.97Å; I91-P108 WeakPolarHBondContact CG2-O 3.03Å; I91-V125 HydrophobicContact CD1-CG1 4.48Å; I91-V125 HydrophobicContact CG1-CB 3.82Å; I91-V125 HydrophobicContact CG1-CG1 3.74Å; I91-V125 HydrophobicContact CG1-CG2 4.29Å; I91-V125 HydrophobicContact CG2-CB 3.98Å; I91-V125 HydrophobicContact CG2-CG2 3.97Å; I91-V127 HydrophobicContact CD1-CG2 3.85Å
92Q96.4Very high95.2Very high109 Ų10939.1 Ų39.151%0.50920%0.2SC..EExtended strand (participates in β ladder)trans-137.7133.3171.7-166.5176.436.200109.9I69 I70I69-Q92 HydrophobicContact CG2-CG 3.5Å; I69-Q92 VanDerWaalsContact CG2-CG 3.5Å; I69-Q92 VanDerWaalsContact CG2-NE2 3.27Å; I70-Q92 VanDerWaalsContact O-CA 3.31Å; I70-Q92 WeakPolarHBondContact O-CA 3.24Å
93C96.8Very high95.3Very high13 Ų1336 Ų369%0.08819%0.188CC..EExtended strand (participates in β ladder)trans-150.4179.4175.663.70000111.1I69 I70 L105 L107I69-C93 CarbonylContact C-O 3.37Å; I69-C93 WeakPolarHBondContact CA-O 3.36Å; I70-C93 PolarHBondContact N-O 2.94Å; I70-C93 PolarHBondContact O-N 3.09Å; C93-L105 HydrophobicContact CB-CD2 3.82Å; C93-L107 HydrophobicContact CB-CD1 3.65Å
94T95.9Very high95.7Very high13 Ų1330.7 Ų30.78%0.0816%0.163CC..EExtended strand (participates in β ladder)trans-109.5146.5177.573.90000110.2Q68 G96 R97 V98 E343Q68-T94 CarbonylContact O-C 3.56Å; Q68-T94 WeakPolarHBondContact O-CA 3.49Å; T94-G96 PolarHBondContact O-N 2.88Å; T94-R97 PolarHBondContact O-N 2.84Å; T94-R97 WeakPolarHBondContact OG1-CB 3.49Å; T94-R97 PolarHBondContact OG1-N 2.92Å; T94-V98 WeakPolarHBondContact O-CG2 3.48Å; T94-V98 PolarHBondContact O-N 3.39Å; T94-V98 VanDerWaalsContact O-N 3.14Å; T94-E343 HydrophobicContact CG2-CG 4.36Å; T94-E343 WeakPolarHBondContact CG2-OE2 3.45Å; T94-E343 PolarHBondContact OG1-OE2 2.82Å
95V97.1Very high96Very high1 Ų129.6 Ų29.61%0.00616%0.157CC..Hα-helixtrans-54.7-44.6172.8171.70000110.4I7 I9 L60 Y62 Q68 I70 R97 V98 I99 I129I7-V95 HydrophobicContact CD1-CG1 3.43Å; I7-V95 VanDerWaalsContact CD1-CG1 3.43Å; I7-V95 HydrophobicContact CD1-CG2 4.46Å; I9-V95 HydrophobicContact CD1-CG2 4.46Å; L60-V95 HydrophobicContact CD2-CG2 4.16Å; Y62-V95 HydrophobicContact CD2-CG1 3.75Å; Y62-V95 HydrophobicContact CE2-CG1 4.01Å; Q68-V95 HydrophobicContact CB-CB 3.99Å; Q68-V95 HydrophobicContact CB-CG2 3.63Å; Q68-V95 PolarHBondContact O-N 2.89Å; I70-V95 HydrophobicContact CD1-CG2 3.89Å; I70-V95 HydrophobicContact CG1-CG2 3.87Å; V95-R97 PolarHBondContact O-N 3.26Å; V95-V98 PolarHBondContact O-N 2.81Å; V95-I99 HydrophobicContact CG1-CD1 3.58Å; V95-I99 HydrophobicContact CG1-CG1 4.32Å; V95-I99 VanDerWaalsContact O-CG1 3.3Å; V95-I99 WeakPolarHBondContact O-CG1 3.26Å; V95-I99 PolarHBondContact O-N 2.8Å; V95-I129 HydrophobicContact CB-CD1 4.39Å; V95-I129 HydrophobicContact CG1-CD1 4.07Å; V95-I129 HydrophobicContact CG2-CD1 4.47Å
96G96.7Very high96.1Very high6 Ų631.2 Ų31.26%0.06216%0.162CC..Hα-helixtrans-57.3-47178.600000112.6T94 V98 I99 H100 Y344T94-G96 PolarHBondContact O-N 2.88Å; G96-V98 PolarHBondContact O-N 2.86Å; G96-I99 PolarHBondContact O-N 3.14Å; G96-H100 WeakPolarHBondContact O-CB 3.27Å; G96-H100 PolarHBondContact O-N 3.09Å; G96-Y344 WeakPolarHBondContact CA-OH 3.48Å
97R97Very high96.4Very high76 Ų7629.9 Ų29.929%0.28715%0.153SC..Hα-helixtrans-64.5-39.8179.9-173.862-179179.73.6112.8T94 V95 S101 L105 D345T94-R97 PolarHBondContact O-N 2.84Å; T94-R97 WeakPolarHBondContact OG1-CB 3.49Å; T94-R97 PolarHBondContact OG1-N 2.92Å; V95-R97 PolarHBondContact O-N 3.26Å; R97-S101 WeakPolarHBondContact O-CB 3.4Å; R97-S101 PolarHBondContact O-N 3.34Å; R97-S101 PolarHBondContact O-OG 3.48Å; R97-L105 HydrophobicContact CG-CD2 4.15Å; R97-D345 PolarHBondContact NH1-O 3.48Å
98V97.8Very high96.5Very high0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-66.5-45.6178.6-178.30000110.5I70 T94 V95 G96 H100 S101 G103 L105 V127 I129I70-V98 HydrophobicContact CD1-CG2 4.35Å; T94-V98 WeakPolarHBondContact O-CG2 3.48Å; T94-V98 PolarHBondContact O-N 3.39Å; T94-V98 VanDerWaalsContact O-N 3.14Å; V95-V98 PolarHBondContact O-N 2.81Å; G96-V98 PolarHBondContact O-N 2.86Å; V98-H100 PolarHBondContact O-N 3.33Å; V98-S101 PolarHBondContact O-N 3.39Å; V98-S101 VanDerWaalsContact O-N 3.15Å; V98-G103 CarbonylContact O-C 3.52Å; V98-G103 WeakPolarHBondContact O-CA 3.33Å; V98-G103 PolarHBondContact O-N 3.22Å; V98-L105 HydrophobicContact CB-CB 4.32Å; V98-L105 HydrophobicContact CG1-CB 4.18Å; V98-L105 HydrophobicContact CG2-CB 3.84Å; V98-L105 HydrophobicContact CG2-CD2 3.88Å; V98-V127 HydrophobicContact CG1-CG1 4.3Å; V98-V127 HydrophobicContact CG2-CB 4.31Å; V98-V127 HydrophobicContact CG2-CG1 4.06Å; V98-I129 HydrophobicContact CB-CD1 3.67Å; V98-I129 HydrophobicContact CB-CG1 4.12Å; V98-I129 HydrophobicContact CG1-CB 4.05Å; V98-I129 HydrophobicContact CG1-CD1 3.79Å; V98-I129 HydrophobicContact CG1-CG1 3.63Å; V98-I129 HydrophobicContact CG2-CD1 4.25Å
99I97.1Very high96.5Very high0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-60.2-47.3176.8-65.2170.9000110.4I7 Y62 V95 G96 S101 G102 G103 I129 L287 I290 F291I7-I99 HydrophobicContact CD1-CD1 4.48Å; Y62-I99 HydrophobicContact CD2-CD1 3.79Å; Y62-I99 HydrophobicContact CE2-CD1 3.61Å; V95-I99 HydrophobicContact CG1-CD1 3.58Å; V95-I99 HydrophobicContact CG1-CG1 4.32Å; V95-I99 VanDerWaalsContact O-CG1 3.3Å; V95-I99 WeakPolarHBondContact O-CG1 3.26Å; V95-I99 PolarHBondContact O-N 2.8Å; G96-I99 PolarHBondContact O-N 3.14Å; I99-S101 PolarHBondContact O-N 3.06Å; I99-G102 PolarHBondContact O-N 2.98Å; I99-G102 VanDerWaalsContact O-N 3.13Å; I99-G103 PolarHBondContact O-N 3.24Å; I99-I129 HydrophobicContact CD1-CG2 4.27Å; I99-I129 HydrophobicContact CG1-CB 4.31Å; I99-I129 HydrophobicContact CG1-CD1 4.39Å; I99-I129 HydrophobicContact CG1-CG2 3.82Å; I99-L287 HydrophobicContact CD1-CD2 3.92Å; I99-L287 HydrophobicContact CG2-CD2 3.9Å; I99-I290 HydrophobicContact CG2-CB 3.98Å; I99-I290 HydrophobicContact CG2-CG2 3.62Å; I99-F291 HydrophobicContact CB-CD1 4.42Å; I99-F291 HydrophobicContact CB-CE1 3.98Å; I99-F291 HydrophobicContact CG1-CE1 3.86Å; I99-F291 HydrophobicContact CG1-CZ 4.11Å; I99-F291 HydrophobicContact CG2-CD1 3.86Å; I99-F291 HydrophobicContact CG2-CE1 3.69Å; I99-F291 HydrophobicContact CG2-CG 4.39Å; I99-F291 HydrophobicContact CG2-CZ 4.07Å
100H96.5Very high96.5Very high14 Ų1436 Ų367%0.06519%0.194CC..Hα-helixtrans-62.5-24.8176.9-168.157.1000113.7G96 V98 G102 I290 L294 Y344 S346G96-H100 WeakPolarHBondContact O-CB 3.27Å; G96-H100 PolarHBondContact O-N 3.09Å; V98-H100 PolarHBondContact O-N 3.33Å; H100-G102 PolarHBondContact O-N 3.12Å; H100-I290 HydrophobicContact CB-CG2 4.19Å; H100-L294 PolarHBondContact CE1-O 2.88Å; H100-Y344 HydrophobicContact CB-CD1 4.46Å; H100-Y344 PolarHBondContact CE1-O 2.83Å; H100-Y344 VanDerWaalsContact CE1-O 3.3Å; H100-S346 PolarHBondContact NE2-N 2.8Å; H100-S346 PolarHBondContact NE2-OG 3.05Å
101S96Very high96.4Very high45 Ų4533.6 Ų33.632%0.31518%0.184SC..THydrogen-bonded Turntrans-83.624.9175.1-53.40000112.7R97 V98 I99 G103 E104R97-S101 WeakPolarHBondContact O-CB 3.4Å; R97-S101 PolarHBondContact O-N 3.34Å; R97-S101 PolarHBondContact O-OG 3.48Å; V98-S101 PolarHBondContact O-N 3.39Å; V98-S101 VanDerWaalsContact O-N 3.15Å; I99-S101 PolarHBondContact O-N 3.06Å; S101-G103 VanDerWaalsContact C-N 3.28Å; S101-G103 PolarHBondContact O-N 3.25Å; S101-E104 VanDerWaalsContact CB-O 3.26Å; S101-E104 WeakPolarHBondContact CB-O 3.35Å
102G95.5Very high96.1Very high24 Ų2435.7 Ų35.725%0.24720%0.195CC..THydrogen-bonded Turntrans75.516.3-174.600000113.9I99 H100 F291I99-G102 PolarHBondContact O-N 2.98Å; I99-G102 VanDerWaalsContact O-N 3.13Å; H100-G102 PolarHBondContact O-N 3.12Å; G102-F291 WeakPolarHBondContact CA-O 3.43Å
103G96.8Very high95.7Very high0 Ų039.3 Ų39.30%021%0.212CC..THydrogen-bonded Turntrans81.59.6-178.600000114.3V98 I99 S101 C128 I129 R130V98-G103 CarbonylContact O-C 3.52Å; V98-G103 WeakPolarHBondContact O-CA 3.33Å; V98-G103 PolarHBondContact O-N 3.22Å; I99-G103 PolarHBondContact O-N 3.24Å; S101-G103 VanDerWaalsContact C-N 3.28Å; S101-G103 PolarHBondContact O-N 3.25Å; G103-C128 CarbonylContact O-C 3.59Å; G103-C128 WeakPolarHBondContact O-CA 3.46Å; G103-I129 PolarHBondContact O-N 2.84Å; G103-R130 PolarHBondContact O-NH1 2.99Å
104E96.6Very high95.3Very high31 Ų3145.4 Ų45.415%0.14524%0.244CC..EExtended strand (participates in β ladder)trans-133.5131.2174.4-174.6174.3141.300109R14 S101 V126 V127 P565 L566R14-E104 IonicContact NH2-OE1 2.8Å; S101-E104 VanDerWaalsContact CB-O 3.26Å; S101-E104 WeakPolarHBondContact CB-O 3.35Å; E104-V126 HydrophobicContact CG-CG1 3.63Å; E104-V127 WeakPolarHBondContact CA-O 3.42Å; E104-P565 WeakPolarHBondContact OE2-CA 3.4Å; E104-L566 PolarHBondContact OE2-N 3.3Å
105L96.9Very high94.7Very high28 Ų2846.5 Ų46.515%0.14725%0.249CC..EExtended strand (participates in β ladder)trans-135.3125.6175.1-172.365.7000109.6C93 R97 V98 L107 V126 V127C93-L105 HydrophobicContact CB-CD2 3.82Å; R97-L105 HydrophobicContact CG-CD2 4.15Å; V98-L105 HydrophobicContact CB-CB 4.32Å; V98-L105 HydrophobicContact CG1-CB 4.18Å; V98-L105 HydrophobicContact CG2-CB 3.84Å; V98-L105 HydrophobicContact CG2-CD2 3.88Å; L105-L107 HydrophobicContact CD2-CD1 3.92Å; L105-L107 HydrophobicContact CD2-CD2 4.32Å; L105-L107 HydrophobicContact CD2-CG 4.19Å; L105-L107 HydrophobicContact CG-CD1 4.29Å; L105-L107 HydrophobicContact CG-CD2 4.35Å; L105-L107 HydrophobicContact CG-CG 4.09Å; L105-V126 WeakPolarHBondContact O-CA 3.5Å; L105-V127 PolarHBondContact N-O 2.88Å; L105-V127 PolarHBondContact O-N 2.95Å
106I97.4Very high94Very high68 Ų6856 Ų5635%0.34929%0.293SS..EExtended strand (participates in β ladder)trans-103.4126178.3-57.7157.8000107.5R14 E124 V126R14-I106 VanDerWaalsContact NH1-CD1 3.33Å; I106-E124 HydrophobicContact CG2-CB 3.78Å; I106-E124 VanDerWaalsContact CG2-CD 3.5Å; I106-E124 HydrophobicContact CG2-CG 4.03Å; I106-E124 WeakPolarHBondContact CG2-OE2 3.19Å; I106-V126 HydrophobicContact CG1-CB 4.47Å; I106-V126 HydrophobicContact CG1-CG1 3.9Å; I106-V126 HydrophobicContact CG1-CG2 4.04Å; I106-V126 HydrophobicContact CG2-CG2 4.47Å
107L97.5Very high93.1Very high40 Ų4057.2 Ų57.221%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-129.7139.6-178.2-68.1165.6000110.9I91 C93 L105 E124 V125I91-L107 HydrophobicContact CB-CB 4.27Å; I91-L107 HydrophobicContact CB-CD1 4.27Å; I91-L107 HydrophobicContact CD1-CD1 4.32Å; I91-L107 HydrophobicContact CG1-CD1 4.48Å; I91-L107 HydrophobicContact CG2-CB 3.97Å; C93-L107 HydrophobicContact CB-CD1 3.65Å; L105-L107 HydrophobicContact CD2-CD1 3.92Å; L105-L107 HydrophobicContact CD2-CD2 4.32Å; L105-L107 HydrophobicContact CD2-CG 4.19Å; L105-L107 HydrophobicContact CG-CD1 4.29Å; L105-L107 HydrophobicContact CG-CD2 4.35Å; L105-L107 HydrophobicContact CG-CG 4.09Å; L107-E124 CarbonylContact O-C 3.59Å; L107-E124 WeakPolarHBondContact O-CA 3.37Å; L107-V125 PolarHBondContact N-O 2.95Å; L107-V125 PolarHBondContact O-N 3.28Å
108P96.1Very high92.1Very high98 Ų9858.3 Ų58.364%0.63631%0.311SS*.EExtended strand (participates in β ladder)trans-66.6140.5169.829.7-34000109.9I91I91-P108 WeakPolarHBondContact CG2-O 3.03Å
109I94Very high90.8Very high15 Ų1568.4 Ų68.48%0.07735%0.349CS..  trans-69138.5177.8-164.7170.7000111.2I74 W111 T123I74-I109 HydrophobicContact CB-CD1 4.2Å; I74-I109 HydrophobicContact CG1-CD1 4.09Å; I109-W111 HydrophobicContact CG2-CD2 3.95Å; I109-W111 HydrophobicContact CG2-CG 4.38Å; I109-W111 HydrophobicContact CG2-CH2 4.15Å; I109-W111 HydrophobicContact CG2-CZ2 3.51Å; I109-T123 HydrophobicContact CB-CG2 4.36Å; I109-T123 HydrophobicContact CG2-CG2 3.83Å; I109-T123 PolarHBondContact N-O 2.9Å; I109-T123 VanDerWaalsContact N-O 3.15Å
110T94.8Very high89.7Confident70 Ų7075.3 Ų75.343%0.42939%0.386SS..EExtended strand (participates in β ladder)trans-88.7107.5165-57.50000108.2G89 Y90G89-T110 CarbonylContact C-O 3.36Å; G89-T110 WeakPolarHBondContact CA-O 3.48Å; Y90-T110 HydrophobicContact CD1-CG2 4.45Å; Y90-T110 HydrophobicContact CE1-CG2 3.73Å; Y90-T110 PolarHBondContact N-O 2.88Å; Y90-T110 WeakPolarHBondContact O-CB 3.48Å; Y90-T110 PolarHBondContact O-N 2.88Å
111W93.2Very high88.6Confident52 Ų5276.9 Ų76.920%0.19740%0.396CS..EExtended strand (participates in β ladder)trans-66.3142.5-178.6-68.2102.5000112.4P17 L88 I109 I115 V117 T123P17-W111 HydrophobicContact CG-CH2 3.56Å; P17-W111 HydrophobicContact CG-CZ2 3.87Å; L88-W111 HydrophobicContact CB-CZ3 4.01Å; L88-W111 VanDerWaalsContact O-CE3 3.27Å; I109-W111 HydrophobicContact CG2-CD2 3.95Å; I109-W111 HydrophobicContact CG2-CG 4.38Å; I109-W111 HydrophobicContact CG2-CH2 4.15Å; I109-W111 HydrophobicContact CG2-CZ2 3.51Å; W111-I115 HydrophobicContact CE3-CG2 4.16Å; W111-I115 HydrophobicContact CZ3-CG2 4.41Å; W111-V117 HydrophobicContact CD2-CG2 3.62Å; W111-V117 HydrophobicContact CE3-CG1 4.11Å; W111-V117 HydrophobicContact CE3-CG2 3.83Å; W111-V117 HydrophobicContact CG-CG2 3.97Å; W111-V117 HydrophobicContact CH2-CG1 4.09Å; W111-V117 HydrophobicContact CZ2-CG2 4.36Å; W111-V117 HydrophobicContact CZ3-CG1 3.82Å; W111-V117 HydrophobicContact CZ3-CG2 4.33Å; W111-T123 HydrophobicContact CH2-CG2 4.27Å; W111-T123 HydrophobicContact CZ2-CG2 4.17Å; W111-T123 WeakPolarHBondContact CZ2-OG1 3.36Å
112N92Very high88.2Confident47 Ų4778.4 Ų78.425%0.25141%0.407SS..  trans-66.2137.1165.5-174.5-5.6000109.6L87 L88 D114 I115L87-N112 WeakPolarHBondContact O-CB 3.41Å; L87-N112 PolarHBondContact O-ND2 2.89Å; L88-N112 PolarHBondContact O-N 2.87Å; N112-D114 PolarHBondContact O-N 3.45Å; N112-D114 PolarHBondContact OD1-N 2.96Å; N112-I115 HydrophobicContact CB-CG1 3.92Å; N112-I115 PolarHBondContact O-N 3.35Å; N112-I115 VanDerWaalsContact O-N 3.13Å
113E88.5Confident88.1Confident185 Ų18577.6 Ų77.686%0.86440%0.397SS*.THydrogen-bonded Turntrans-61-28.3-175.3-63.6-173.2168.500112.7I115E113-I115 VanDerWaalsContact C-N 3.25Å; E113-I115 PolarHBondContact O-N 3.04Å
114D87Confident88Confident141 Ų14180.1 Ų80.175%0.75441%0.409SS*.THydrogen-bonded Turntrans-76.2-9.1-179.4-64.8-36.4000113.9N112N112-D114 PolarHBondContact O-N 3.45Å; N112-D114 PolarHBondContact OD1-N 2.96Å
115I84.5Confident88Confident35 Ų3578.7 Ų78.718%0.17940%0.403CS..  trans-94.7118.7-173.1-60.3-66.3000111V86 L88 W111 N112 E113 V117V86-I115 HydrophobicContact CG1-CD1 3.58Å; L88-I115 HydrophobicContact CD2-CD1 4.42Å; W111-I115 HydrophobicContact CE3-CG2 4.16Å; W111-I115 HydrophobicContact CZ3-CG2 4.41Å; N112-I115 HydrophobicContact CB-CG1 3.92Å; N112-I115 PolarHBondContact O-N 3.35Å; N112-I115 VanDerWaalsContact O-N 3.13Å; E113-I115 VanDerWaalsContact C-N 3.25Å; E113-I115 PolarHBondContact O-N 3.04Å; I115-V117 HydrophobicContact CG2-CB 4.35Å; I115-V117 HydrophobicContact CG2-CG1 3.47Å; I115-V117 VanDerWaalsContact CG2-CG1 3.47Å; I115-V117 HydrophobicContact CG2-CG2 4.22Å; I115-V117 PolarHBondContact O-N 3.19Å
116Q81.7Confident88Confident201 Ų20177.4 Ų77.494%0.93940%0.396SS*.  trans-83.393.1171.8-66.1-168.8-1.300110.7
117V78.5Confident88.1Confident32 Ų3274.1 Ų74.119%0.19438%0.379CS..  trans-116.7149.6176.3-79.50000111.8P17 W111 I115 R119P17-V117 HydrophobicContact CB-CG1 4.24Å; P17-V117 HydrophobicContact CG-CG1 3.99Å; W111-V117 HydrophobicContact CD2-CG2 3.62Å; W111-V117 HydrophobicContact CE3-CG1 4.11Å; W111-V117 HydrophobicContact CE3-CG2 3.83Å; W111-V117 HydrophobicContact CG-CG2 3.97Å; W111-V117 HydrophobicContact CH2-CG1 4.09Å; W111-V117 HydrophobicContact CZ2-CG2 4.36Å; W111-V117 HydrophobicContact CZ3-CG1 3.82Å; W111-V117 HydrophobicContact CZ3-CG2 4.33Å; I115-V117 HydrophobicContact CG2-CB 4.35Å; I115-V117 HydrophobicContact CG2-CG1 3.47Å; I115-V117 VanDerWaalsContact CG2-CG1 3.47Å; I115-V117 HydrophobicContact CG2-CG2 4.22Å; I115-V117 PolarHBondContact O-N 3.19Å; V117-R119 PolarHBondContact O-N 3.08Å
118D75.5Confident88.1Confident99 Ų9972.2 Ų72.253%0.52937%0.369SS..  trans-66.7105.4165.5-1785.1000109N120 T121D118-N120 PolarHBondContact O-N 2.7Å; D118-N120 VanDerWaalsContact OD1-CB 3.3Å; D118-N120 WeakPolarHBondContact OD1-CB 3.4Å; D118-N120 PolarHBondContact OD1-N 3.02Å; D118-N120 PolarHBondContact OD1-ND2 3.33Å; D118-N120 VanDerWaalsContact OD1-ND2 3.1Å; D118-T121 HydrophobicContact CB-CG2 4.48Å; D118-T121 WeakPolarHBondContact O-CB 3.33Å; D118-T121 PolarHBondContact O-N 3.26Å; D118-T121 PolarHBondContact O-OG1 3.5Å
119R70.7Confident88.2Confident212 Ų21267.6 Ų67.680%0.834%0.339SS*.THydrogen-bonded Turntrans-67.3-4.1-178.9-62.7-173.2-179.2-167.9-1.2113.6V117V117-R119 PolarHBondContact O-N 3.08Å
120N73.6Confident88.3Confident145 Ų14567 Ų6778%0.77534%0.336SS*.THydrogen-bonded Turntrans-75.9-12.7169.4-61-36.7000112.7D118 S122D118-N120 PolarHBondContact O-N 2.7Å; D118-N120 VanDerWaalsContact OD1-CB 3.3Å; D118-N120 WeakPolarHBondContact OD1-CB 3.4Å; D118-N120 PolarHBondContact OD1-N 3.02Å; D118-N120 PolarHBondContact OD1-ND2 3.33Å; D118-N120 VanDerWaalsContact OD1-ND2 3.1Å; N120-S122 PolarHBondContact O-N 3.3Å
121T74.8Confident88.3Confident46 Ų4664.7 Ų64.728%0.28232%0.32SS..  trans-73123.7175.454.40000111P17 D118 T123P17-T121 HydrophobicContact CG-CG2 4.46Å; D118-T121 HydrophobicContact CB-CG2 4.48Å; D118-T121 WeakPolarHBondContact O-CB 3.33Å; D118-T121 PolarHBondContact O-N 3.26Å; D118-T121 PolarHBondContact O-OG1 3.5Å; T121-T123 VanDerWaalsContact C-N 3.25Å; T121-T123 PolarHBondContact O-N 2.84Å; T121-T123 VanDerWaalsContact O-N 3.09Å
122S87.3Confident88.2Confident78 Ų7862.7 Ų62.755%0.54531%0.313SS..  trans-8566.9174.360.20000110.2N15 N120 E124N15-S122 PolarHBondContact ND2-O 3.39Å; N120-S122 PolarHBondContact O-N 3.3Å; S122-E124 PolarHBondContact O-N 2.9Å
123T91.8Very high88.1Confident6 Ų660.7 Ų60.74%0.03730%0.303CS..  trans-72.8124.9175.5-53.80000110.1R14 N15 I16 P17 I109 W111 T121R14-T123 WeakPolarHBondContact O-CA 3.44Å; N15-T123 WeakPolarHBondContact O-CB 3.49Å; N15-T123 PolarHBondContact O-OG1 3.07Å; I16-T123 HydrophobicContact CG1-CG2 4.38Å; P17-T123 WeakPolarHBondContact CD-OG1 3.25Å; I109-T123 HydrophobicContact CB-CG2 4.36Å; I109-T123 HydrophobicContact CG2-CG2 3.83Å; I109-T123 PolarHBondContact N-O 2.9Å; I109-T123 VanDerWaalsContact N-O 3.15Å; W111-T123 HydrophobicContact CH2-CG2 4.27Å; W111-T123 HydrophobicContact CZ2-CG2 4.17Å; W111-T123 WeakPolarHBondContact CZ2-OG1 3.36Å; T121-T123 VanDerWaalsContact C-N 3.25Å; T121-T123 PolarHBondContact O-N 2.84Å; T121-T123 VanDerWaalsContact O-N 3.09Å
124E95.4Very high88Confident54 Ų5452.8 Ų52.825%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-122.8146.6-177.6-57.9176151.800110.4C13 R14 I106 L107 S122C13-E124 CarbonylContact C-O 3.56Å; C13-E124 VanDerWaalsContact CA-O 3.3Å; C13-E124 WeakPolarHBondContact CA-O 2.89Å; R14-E124 HydrophobicContact CB-CB 4.27Å; R14-E124 WeakPolarHBondContact CD-OE2 3.39Å; R14-E124 PolarHBondContact N-O 3.21Å; R14-E124 IonicContact NH1-OE2 2.57Å; R14-E124 PolarHBondContact NH1-OE2 2.87Å; R14-E124 PolarHBondContact O-N 3.3Å; I106-E124 HydrophobicContact CG2-CB 3.78Å; I106-E124 VanDerWaalsContact CG2-CD 3.5Å; I106-E124 HydrophobicContact CG2-CG 4.03Å; I106-E124 WeakPolarHBondContact CG2-OE2 3.19Å; L107-E124 CarbonylContact O-C 3.59Å; L107-E124 WeakPolarHBondContact O-CA 3.37Å; S122-E124 PolarHBondContact O-N 2.9Å
125V96.9Very high87.8Confident1 Ų147.4 Ų47.41%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-109.9130167.6-179.20000107.6I11 S12 T72 I74 I91 L107I11-V125 HydrophobicContact CG2-CG1 3.98Å; S12-V125 WeakPolarHBondContact O-CA 2.64Å; T72-V125 HydrophobicContact CG2-CG1 4.18Å; I74-V125 HydrophobicContact CD1-CG2 4.21Å; I74-V125 HydrophobicContact CG1-CG2 3.94Å; I91-V125 HydrophobicContact CD1-CG1 4.48Å; I91-V125 HydrophobicContact CG1-CB 3.82Å; I91-V125 HydrophobicContact CG1-CG1 3.74Å; I91-V125 HydrophobicContact CG1-CG2 4.29Å; I91-V125 HydrophobicContact CG2-CB 3.98Å; I91-V125 HydrophobicContact CG2-CG2 3.97Å; L107-V125 PolarHBondContact N-O 2.95Å; L107-V125 PolarHBondContact O-N 3.28Å
126V97.6Very high87.7Confident0 Ų047 Ų470%024%0.236CC..EExtended strand (participates in β ladder)trans-105.6119.5176.9-165.30000108.7I11 S12 R14 E104 L105 I106 P565I11-V126 WeakPolarHBondContact CA-O 3.45Å; S12-V126 PolarHBondContact N-O 3.41Å; S12-V126 PolarHBondContact O-N 3.18Å; R14-V126 HydrophobicContact CG-CG2 4.32Å; E104-V126 HydrophobicContact CG-CG1 3.63Å; L105-V126 WeakPolarHBondContact O-CA 3.5Å; I106-V126 HydrophobicContact CG1-CB 4.47Å; I106-V126 HydrophobicContact CG1-CG1 3.9Å; I106-V126 HydrophobicContact CG1-CG2 4.04Å; I106-V126 HydrophobicContact CG2-CG2 4.47Å; V126-P565 HydrophobicContact CB-CG 4.03Å; V126-P565 HydrophobicContact CG1-CB 4.26Å; V126-P565 HydrophobicContact CG1-CG 3.77Å; V126-P565 HydrophobicContact CG2-CG 4.37Å
127V98.1Very high87.8Confident0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-101.1121.5174.1-174.90000108.2I9 I11 I70 I91 V98 E104 L105 I129I9-V127 HydrophobicContact CG2-CG1 3.95Å; I11-V127 HydrophobicContact CD1-CB 4.39Å; I11-V127 HydrophobicContact CD1-CG1 4.19Å; I11-V127 HydrophobicContact CD1-CG2 3.93Å; I70-V127 HydrophobicContact CD1-CG1 4Å; I91-V127 HydrophobicContact CD1-CG2 3.85Å; V98-V127 HydrophobicContact CG1-CG1 4.3Å; V98-V127 HydrophobicContact CG2-CB 4.31Å; V98-V127 HydrophobicContact CG2-CG1 4.06Å; E104-V127 WeakPolarHBondContact CA-O 3.42Å; L105-V127 PolarHBondContact N-O 2.88Å; L105-V127 PolarHBondContact O-N 2.95Å; V127-I129 HydrophobicContact CG1-CG1 4.5Å
128C97.8Very high88.3Confident0 Ų039.1 Ų39.10%020%0.199CC..EExtended strand (participates in β ladder)trans-114.4128.3178.4-70.50000110.4I9 G10 G103 T563I9-C128 CarbonylContact C-O 3.49Å; I9-C128 WeakPolarHBondContact CA-O 3.01Å; G10-C128 PolarHBondContact N-O 3.15Å; G10-C128 PolarHBondContact O-N 3.44Å; G103-C128 CarbonylContact O-C 3.59Å; G103-C128 WeakPolarHBondContact O-CA 3.46Å; C128-T563 WeakPolarHBondContact CB-O 3.4Å
129I97.8Very high89Confident0 Ų034.4 Ų34.40%017%0.173CC..EExtended strand (participates in β ladder)trans-121.9134.1176-60-174.7000109.9I7 Q8 I9 I70 V95 V98 I99 G103 V127 F291I7-I129 HydrophobicContact CB-CG2 3.83Å; I7-I129 HydrophobicContact CD1-CD1 4.36Å; I7-I129 HydrophobicContact CD1-CG2 3.74Å; I7-I129 HydrophobicContact CG1-CG2 4.3Å; I7-I129 HydrophobicContact CG2-CG2 4.15Å; Q8-I129 WeakPolarHBondContact O-CA 3.38Å; I9-I129 HydrophobicContact CB-CG1 4.47Å; I9-I129 HydrophobicContact CD1-CD1 4.35Å; I9-I129 HydrophobicContact CG1-CD1 4.25Å; I9-I129 HydrophobicContact CG1-CG1 4.07Å; I9-I129 HydrophobicContact CG2-CG1 4.22Å; I70-I129 HydrophobicContact CD1-CD1 3.8Å; V95-I129 HydrophobicContact CB-CD1 4.39Å; V95-I129 HydrophobicContact CG1-CD1 4.07Å; V95-I129 HydrophobicContact CG2-CD1 4.47Å; V98-I129 HydrophobicContact CB-CD1 3.67Å; V98-I129 HydrophobicContact CB-CG1 4.12Å; V98-I129 HydrophobicContact CG1-CB 4.05Å; V98-I129 HydrophobicContact CG1-CD1 3.79Å; V98-I129 HydrophobicContact CG1-CG1 3.63Å; V98-I129 HydrophobicContact CG2-CD1 4.25Å; I99-I129 HydrophobicContact CD1-CG2 4.27Å; I99-I129 HydrophobicContact CG1-CB 4.31Å; I99-I129 HydrophobicContact CG1-CD1 4.39Å; I99-I129 HydrophobicContact CG1-CG2 3.82Å; G103-I129 PolarHBondContact O-N 2.84Å; V127-I129 HydrophobicContact CG1-CG1 4.5Å; I129-F291 HydrophobicContact CG2-CZ 4.28Å; I129-F291 WeakPolarHBondContact O-CE1 3.48Å
130R96.2Very high90.1Very high4 Ų427 Ų272%0.01515%0.147CC..EExtended strand (participates in β ladder)trans-132.9149.6172.1-58-65.9175.3-103.20.7110.3I7 Q8 G103 F562I7-R130 CarbonylContact C-O 3.49Å; I7-R130 VanDerWaalsContact CA-O 3.22Å; I7-R130 WeakPolarHBondContact CA-O 3.42Å; I7-R130 WeakPolarHBondContact CB-O 3.22Å; Q8-R130 PolarHBondContact N-O 2.96Å; Q8-R130 PolarHBondContact O-N 2.68Å; Q8-R130 VanDerWaalsContact O-N 3.08Å; G103-R130 PolarHBondContact O-NH1 2.99Å; R130-F562 HydrophobicContact CB-CD1 4.34Å; R130-F562 HydrophobicContact CB-CE1 3.59Å; R130-F562 HydrophobicContact CB-CE2 3.82Å; R130-F562 HydrophobicContact CB-CZ 3.28Å; R130-F562 HydrophobicContact CG-CD2 4.43Å; R130-F562 HydrophobicContact CG-CE1 4.25Å; R130-F562 HydrophobicContact CG-CE2 4.11Å; R130-F562 HydrophobicContact CG-CZ 4.02Å; R130-F562 WeakPolarHBondContact CG-O 3.44Å
131E94.7Very high91.1Very high21 Ų2120.1 Ų20.110%0.09811%0.111CC..EExtended strand (participates in β ladder)trans-70.8132.5170.4-176.8171.6-152.600109.9P133 K136 S285 L287 F291 F562E131-P133 WeakPolarHBondContact O-CD 3.29Å; E131-K136 HydrophobicContact CG-CB 4.12Å; E131-K136 HydrophobicContact CG-CD 4.22Å; E131-K136 HydrophobicContact CG-CG 4.39Å; E131-K136 VanDerWaalsContact OE2-CD 3.29Å; E131-K136 WeakPolarHBondContact OE2-CD 3.47Å; E131-K136 WeakPolarHBondContact OE2-CE 2.94Å; E131-S285 WeakPolarHBondContact OE2-CB 3.22Å; E131-S285 PolarHBondContact OE2-OG 2.71Å; E131-L287 HydrophobicContact CB-CB 4.45Å; E131-L287 HydrophobicContact CB-CD1 3.94Å; E131-L287 HydrophobicContact CG-CD1 3.9Å; E131-F291 HydrophobicContact CB-CE2 4.04Å; E131-F562 WeakPolarHBondContact O-CZ 3.34Å
132D92Very high92.2Very high9 Ų919.8 Ų19.85%0.04811%0.105CC..  trans-66.8114179.7179.61.5000110R6 Q8 F134 S135 K136R6-D132 HydrophobicContact CB-CB 3.86Å; R6-D132 WeakPolarHBondContact O-CB 3.38Å; R6-D132 PolarHBondContact O-N 3.31Å; Q8-D132 HydrophobicContact CG-CB 4.35Å; D132-F134 PolarHBondContact O-N 3.37Å; D132-F134 VanDerWaalsContact O-N 3.12Å; D132-F134 WeakPolarHBondContact OD1-CD2 3.38Å; D132-F134 PolarHBondContact OD1-N 3.26Å; D132-F134 VanDerWaalsContact OD1-N 3.08Å; D132-S135 PolarHBondContact O-N 3.2Å; D132-S135 PolarHBondContact O-OG 2.66Å; D132-K136 PolarHBondContact O-N 3.12Å
133P89.2Confident92.7Very high6 Ų616.1 Ų16.14%0.0398%0.079CC..Hα-helixtrans-61.3-25.3-176.226.9-37000112.5E131 S135 K136 E137 L553 W558 W559E131-P133 WeakPolarHBondContact O-CD 3.29Å; P133-S135 VanDerWaalsContact C-N 3.33Å; P133-S135 PolarHBondContact O-N 3.36Å; P133-K136 PolarHBondContact O-N 3.18Å; P133-E137 HydrophobicContact CB-CG 4.1Å; P133-E137 VanDerWaalsContact O-CB 3.27Å; P133-E137 WeakPolarHBondContact O-CB 3.25Å; P133-E137 VanDerWaalsContact O-CG 3.3Å; P133-E137 WeakPolarHBondContact O-CG 3.39Å; P133-E137 PolarHBondContact O-N 3.07Å; P133-L553 HydrophobicContact CB-CD2 3.64Å; P133-L553 HydrophobicContact CG-CD2 3.7Å; P133-W558 HydrophobicContact CG-CH2 4.12Å; P133-W558 HydrophobicContact CG-CZ3 4.47Å; P133-W559 HydrophobicContact CG-CH2 3.66Å; P133-W559 HydrophobicContact CG-CZ2 4.1Å
134F86.7Confident93Very high18 Ų1818.5 Ų18.58%0.0799%0.092CC..Hα-helixtrans-68.3-34.5177.4-68.5-66.6000112.9D132 L196 D197 I204 L553 W559D132-F134 PolarHBondContact O-N 3.37Å; D132-F134 VanDerWaalsContact O-N 3.12Å; D132-F134 WeakPolarHBondContact OD1-CD2 3.38Å; D132-F134 PolarHBondContact OD1-N 3.26Å; D132-F134 VanDerWaalsContact OD1-N 3.08Å; F134-L196 HydrophobicContact CD1-CB 4.47Å; F134-L196 HydrophobicContact CD1-CD2 3.35Å; F134-L196 HydrophobicContact CD1-CG 3.73Å; F134-L196 HydrophobicContact CE1-CD2 3.55Å; F134-L196 HydrophobicContact CE1-CG 4.21Å; F134-D197 WeakPolarHBondContact O-CB 3.23Å; F134-D197 PolarHBondContact O-N 2.87Å; F134-D197 VanDerWaalsContact O-N 3.08Å; F134-I204 HydrophobicContact CD1-CG2 4.01Å; F134-I204 HydrophobicContact CE1-CG2 3.14Å; F134-I204 HydrophobicContact CE2-CG2 4.36Å; F134-I204 HydrophobicContact CZ-CG2 3.36Å; F134-L553 HydrophobicContact CZ-CB 4.42Å; F134-W559 HydrophobicContact CD2-CH2 4.16Å; F134-W559 HydrophobicContact CD2-CZ2 4.09Å; F134-W559 AromaticContact CE2-CH2 3.8Å; F134-W559 HydrophobicContact CE2-CH2 3.8Å; F134-W559 AromaticContact CE2-CZ2 3.3Å; F134-W559 HydrophobicContact CE2-CZ2 3.3Å; F134-W559 AromaticContact CZ-CZ2 3.92Å; F134-W559 HydrophobicContact CZ-CZ2 3.92Å
135S83Confident93.2Very high28 Ų2816.2 Ų16.220%0.1968%0.083CC..Hα-helixtrans-79-23.3177.272.30000113R6 D132 P133R6-S135 PolarHBondContact N-OG 3.12Å; D132-S135 PolarHBondContact O-N 3.2Å; D132-S135 PolarHBondContact O-OG 2.66Å; P133-S135 VanDerWaalsContact C-N 3.33Å; P133-S135 PolarHBondContact O-N 3.36Å
136K83.7Confident93.2Very high27 Ų2717.5 Ų17.512%0.1179%0.094CC..Hα-helixtrans-97-47.3-173-174.2-162.2179.9-172.20113.3E131 D132 P133 D288E131-K136 HydrophobicContact CG-CB 4.12Å; E131-K136 HydrophobicContact CG-CD 4.22Å; E131-K136 HydrophobicContact CG-CG 4.39Å; E131-K136 VanDerWaalsContact OE2-CD 3.29Å; E131-K136 WeakPolarHBondContact OE2-CD 3.47Å; E131-K136 WeakPolarHBondContact OE2-CE 2.94Å; D132-K136 PolarHBondContact O-N 3.12Å; P133-K136 PolarHBondContact O-N 3.18Å; K136-D288 WeakPolarHBondContact CE-OD2 3.38Å; K136-D288 IonicContact NZ-OD1 3.69Å; K136-D288 PolarHBondContact NZ-OD1 3.07Å; K136-D288 IonicContact NZ-OD2 2.64Å; K136-D288 PolarHBondContact NZ-OD2 2.85Å
137E83.8Confident93.3Very high13 Ų1322.4 Ų22.46%0.06112%0.12CC..  trans-77.7130.6-165.5-62.8-59.4163.500112.5P133 L196 F279 S282P133-E137 HydrophobicContact CB-CG 4.1Å; P133-E137 VanDerWaalsContact O-CB 3.27Å; P133-E137 WeakPolarHBondContact O-CB 3.25Å; P133-E137 VanDerWaalsContact O-CG 3.3Å; P133-E137 WeakPolarHBondContact O-CG 3.39Å; P133-E137 PolarHBondContact O-N 3.07Å; E137-L196 PolarHBondContact O-N 2.77Å; E137-L196 VanDerWaalsContact O-N 3.15Å; E137-F279 HydrophobicContact CB-CE1 4.22Å; E137-F279 HydrophobicContact CG-CE1 4.01Å; E137-S282 PolarHBondContact OE2-OG 2.93Å
138N87.2Confident93.3Very high54 Ų5422.7 Ų22.729%0.28912%0.121SC..EExtended strand (participates in β ladder)trans-95.7137.8167.9-69.9-61.5000109.1L193 C195 A280N138-L193 HydrophobicContact CB-CD1 3.77Å; N138-C195 WeakPolarHBondContact OD1-CA 3.46Å; N138-C195 PolarHBondContact OD1-N 2.7Å; N138-A280 HydrophobicContact CB-CB 3.87Å; N138-A280 WeakPolarHBondContact O-CB 3.36Å; N138-A280 PolarHBondContact O-N 3.19Å
139I90.6Very high93.2Very high0 Ų024.3 Ų24.30%013%0.13CC..EExtended strand (participates in β ladder)trans-118.8150.9175.757.3161000109.7I141 I194 L196 L199 L277 Y278 L550I139-I141 HydrophobicContact CD1-CG1 4.3Å; I139-I194 HydrophobicContact CD1-CG2 4.26Å; I139-I194 HydrophobicContact CG1-CG2 3.85Å; I139-I194 WeakPolarHBondContact CG1-O 3.14Å; I139-I194 PolarHBondContact N-O 3.49Å; I139-I194 PolarHBondContact O-N 2.81Å; I139-L196 HydrophobicContact CD1-CD1 3.68Å; I139-L196 HydrophobicContact CG1-CD1 4.31Å; I139-L199 HydrophobicContact CD1-CD2 3.86Å; I139-L277 HydrophobicContact CD1-CD1 4.05Å; I139-L277 HydrophobicContact CD1-CD2 4.14Å; I139-Y278 CarbonylContact C-O 3.54Å; I139-Y278 WeakPolarHBondContact CA-O 3.34Å; I139-L550 HydrophobicContact CG2-CD2 3.8Å
140F93.8Very high93.1Very high56 Ų5629.7 Ų29.725%0.24615%0.153CC..EExtended strand (participates in β ladder)trans-94.3131162.9-75.3-73.1000110.2P191 I192 L193 L277 Y278 A280F140-P191 HydrophobicContact CB-CB 4.33Å; F140-P191 HydrophobicContact CD1-CB 3.84Å; F140-P191 HydrophobicContact CG-CB 4.37Å; F140-I192 CarbonylContact C-O 3.55Å; F140-I192 VanDerWaalsContact CA-O 3.22Å; F140-I192 WeakPolarHBondContact CA-O 3.24Å; F140-L193 HydrophobicContact CD1-CB 4.2Å; F140-L193 HydrophobicContact CD1-CD1 4.38Å; F140-L193 HydrophobicContact CE1-CB 3.84Å; F140-L193 HydrophobicContact CE1-CD1 4.04Å; F140-L193 HydrophobicContact CE2-CD1 4.38Å; F140-L193 HydrophobicContact CZ-CD1 4.05Å; F140-L277 WeakPolarHBondContact O-CA 3.47Å; F140-Y278 HydrophobicContact CB-CD1 3.87Å; F140-Y278 HydrophobicContact CB-CD2 3.68Å; F140-Y278 HydrophobicContact CB-CE1 3.43Å; F140-Y278 VanDerWaalsContact CB-CE1 3.43Å; F140-Y278 HydrophobicContact CB-CE2 3.25Å; F140-Y278 HydrophobicContact CB-CG 3.97Å; F140-Y278 WeakPolarHBondContact CB-OH 3.25Å; F140-Y278 HydrophobicContact CD1-CE2 4.44Å; F140-Y278 AromaticContact CD2-CD2 3.64Å; F140-Y278 HydrophobicContact CD2-CD2 3.64Å; F140-Y278 AromaticContact CD2-CE2 3.1Å; F140-Y278 HydrophobicContact CD2-CE2 3.1Å; F140-Y278 AromaticContact CD2-CZ 3.8Å; F140-Y278 HydrophobicContact CE2-CE2 4.01Å; F140-Y278 HydrophobicContact CG-CD2 4.06Å; F140-Y278 HydrophobicContact CG-CE1 4.35Å; F140-Y278 AromaticContact CG-CE2 3.37Å; F140-Y278 HydrophobicContact CG-CE2 3.37Å; F140-Y278 AromaticContact CG-CZ 3.53Å; F140-Y278 PolarHBondContact N-O 2.96Å; F140-Y278 PolarHBondContact O-N 3.43Å; F140-Y278 VanDerWaalsContact O-N 3.16Å; F140-A280 HydrophobicContact CD2-CB 3.6Å; F140-A280 HydrophobicContact CE2-CB 3.47Å; F140-A280 VanDerWaalsContact CE2-CB 3.47Å; F140-A280 HydrophobicContact CG-CB 4.46Å; F140-A280 HydrophobicContact CZ-CB 4.22Å
141I95.6Very high93Very high2 Ų232.1 Ų32.11%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-100.6117.1167-49-176.5000107.8I139 M143 I163 P191 I192 I194 L199 V275 L277I139-I141 HydrophobicContact CD1-CG1 4.3Å; I141-M143 HydrophobicContact CG2-CG 4.09Å; I141-M143 HydrophobicContact CG2-SD 4.47Å; I141-I163 HydrophobicContact CD1-CD1 4Å; I141-P191 WeakPolarHBondContact O-CA 3.37Å; I141-I192 HydrophobicContact CB-CB 4.36Å; I141-I192 HydrophobicContact CB-CD1 4.32Å; I141-I192 PolarHBondContact N-O 2.63Å; I141-I192 PolarHBondContact O-N 3.41Å; I141-I194 HydrophobicContact CD1-CG2 3.72Å; I141-I194 HydrophobicContact CG1-CG2 3.86Å; I141-L199 HydrophobicContact CD1-CD1 4.07Å; I141-L199 HydrophobicContact CD1-CD2 4Å; I141-V275 HydrophobicContact CG2-CG1 3.96Å; I141-L277 HydrophobicContact CB-CD2 4.1Å; I141-L277 HydrophobicContact CD1-CD2 4.49Å; I141-L277 HydrophobicContact CG1-CD2 3.7Å; I141-L277 HydrophobicContact CG2-CD2 4.04Å
142K96.9Very high92.7Very high39 Ų3933.1 Ų33.117%0.1717%0.17CC..EExtended strand (participates in β ladder)trans-107.6133.4171.9176.962.8174.9-176.70109.6D188 W189 P191 K276 Y278K142-D188 WeakPolarHBondContact CE-OD1 3.42Å; K142-D188 IonicContact NZ-OD1 2.63Å; K142-D188 PolarHBondContact NZ-OD1 3.38Å; K142-D188 IonicContact NZ-OD2 2.74Å; K142-W189 WeakPolarHBondContact CD-O 3.26Å; K142-W189 WeakPolarHBondContact CE-O 3.25Å; K142-W189 PolarHBondContact NZ-O 2.96Å; K142-P191 HydrophobicContact CD-CG 4.08Å; K142-K276 HydrophobicContact CB-CB 4.44Å; K142-K276 PolarHBondContact N-O 3.08Å; K142-K276 PolarHBondContact O-N 3.02Å; K142-Y278 HydrophobicContact CB-CE1 4.05Å
143M98.3Very high92.4Very high1 Ų140.8 Ų40.81%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-128.1143.2-178.8-60.7-178.2-61.800111.5I141 V161 I163 W189 I192 F210 L273 T274 V275I141-M143 HydrophobicContact CG2-CG 4.09Å; I141-M143 HydrophobicContact CG2-SD 4.47Å; M143-V161 HydrophobicContact CE-CB 3.89Å; M143-V161 HydrophobicContact CE-CG1 4.06Å; M143-V161 HydrophobicContact CE-CG2 4.38Å; M143-V161 HydrophobicContact SD-CB 4.29Å; M143-V161 HydrophobicContact SD-CG1 3.89Å; M143-I163 HydrophobicContact SD-CD1 4.39Å; M143-W189 HydrophobicContact CB-CE3 3.82Å; M143-W189 HydrophobicContact CB-CZ3 4.39Å; M143-W189 PolarHBondContact O-N 3.15Å; M143-I192 HydrophobicContact CE-CD1 3.67Å; M143-F210 HydrophobicContact SD-CD1 3.97Å; M143-F210 HydrophobicContact SD-CE1 3.83Å; M143-L273 HydrophobicContact CB-CD1 4.45Å; M143-L273 HydrophobicContact SD-CD2 4.43Å; M143-T274 VanDerWaalsContact CA-O 3.26Å; M143-T274 WeakPolarHBondContact CA-O 3.4Å; M143-V275 HydrophobicContact CG-CG1 4.5Å; M143-V275 HydrophobicContact CG-CG2 4.33Å
144N98.3Very high92.3Very high55 Ų5549 Ų4929%0.29424%0.239SC..EExtended strand (participates in β ladder)trans-138.6130.2176.8-70.896.8000110.1P187 D188 L273 T274N144-P187 WeakPolarHBondContact CA-O 3.41Å; N144-D188 PolarHBondContact ND2-OD1 3.38Å; N144-L273 CarbonylContact O-C 3.59Å; N144-L273 WeakPolarHBondContact O-CA 3.41Å; N144-T274 PolarHBondContact N-O 2.74Å; N144-T274 PolarHBondContact O-N 2.93Å
145G98.6Very high92.4Very high7 Ų749.9 Ų49.97%0.07225%0.253CS..EExtended strand (participates in β ladder)trans-97.4148.5173.500000111.3F186 P187 L272G145-F186 CarbonylContact O-C 3.46Å; G145-F186 VanDerWaalsContact O-CA 3.28Å; G145-F186 WeakPolarHBondContact O-CA 3.41Å; G145-P187 PolarHBondContact N-O 2.64Å; G145-L272 CarbonylContact C-O 3.55Å; G145-L272 VanDerWaalsContact CA-O 3.29Å; G145-L272 WeakPolarHBondContact CA-O 3.49Å
146A98.4Very high93Very high28 Ų2853.1 Ų53.123%0.23126%0.264CS..EExtended strand (participates in β ladder)trans-141.7139.9172.200000111.2L148 L185 F186 G271 L272A146-L148 PolarHBondContact O-N 2.57Å; A146-L185 CarbonylContact C-O 3.5Å; A146-F186 HydrophobicContact CB-CD1 4.14Å; A146-F186 HydrophobicContact CB-CE1 4.35Å; A146-G271 WeakPolarHBondContact O-CA 3.21Å; A146-L272 HydrophobicContact CB-CB 4.43Å; A146-L272 PolarHBondContact N-O 3.32Å; A146-L272 PolarHBondContact O-N 2.81Å
147N98Very high93.6Very high103 Ų10351.8 Ų51.855%0.55126%0.258SS*.SBendtrans51.540.5179.2-60.3-48.1000113.4L185 F186 G271N147-L185 PolarHBondContact N-O 3.11Å; N147-L185 VanDerWaalsContact N-O 3.1Å; N147-F186 WeakPolarHBondContact OD1-CE1 3.44Å; N147-F186 VanDerWaalsContact OD1-CZ 3.24Å; N147-F186 WeakPolarHBondContact OD1-CZ 3.38Å; N147-G271 WeakPolarHBondContact O-CA 3.49Å
148L98.3Very high94.1Very high5 Ų552.4 Ų52.43%0.02626%0.262CS..PPolyproline II helixtrans-60.9149.2177.2-56.9-170.1000111.1A146 K150 P159 L185 P187 I233 L255 S270A146-L148 PolarHBondContact O-N 2.57Å; L148-K150 PolarHBondContact O-N 2.91Å; L148-P159 HydrophobicContact CD1-CB 3.7Å; L148-P159 HydrophobicContact CD1-CG 3.97Å; L148-L185 HydrophobicContact CB-CB 4.29Å; L148-L185 HydrophobicContact CB-CD2 4.34Å; L148-L185 PolarHBondContact N-O 2.66Å; L148-L185 VanDerWaalsContact N-O 3.07Å; L148-L185 WeakPolarHBondContact O-CD1 3.34Å; L148-L185 WeakPolarHBondContact O-CD2 3.48Å; L148-P187 HydrophobicContact CD1-CG 3.54Å; L148-P187 HydrophobicContact CG-CG 4.47Å; L148-I233 HydrophobicContact CB-CG2 4.44Å; L148-I233 HydrophobicContact CD1-CD1 4.32Å; L148-L255 HydrophobicContact CD2-CD1 3.46Å; L148-L255 VanDerWaalsContact CD2-CD1 3.46Å; L148-S270 WeakPolarHBondContact CA-O 3.08Å
149D97.2Very high94.6Very high35 Ų3549.8 Ų49.819%0.18725%0.248CC..PPolyproline II helixtrans-61.5136.6170.4-90.4-20000110.7S157 I233 K260 S270D149-S157 PolarHBondContact O-OG 2.89Å; D149-I233 HydrophobicContact CB-CG2 4.38Å; D149-K260 IonicContact OD1-NZ 2.87Å; D149-K260 PolarHBondContact OD1-NZ 3.39Å; D149-K260 IonicContact OD2-NZ 2.55Å; D149-K260 PolarHBondContact OD2-NZ 2.97Å; D149-S270 PolarHBondContact N-O 3.09Å; D149-S270 WeakPolarHBondContact OD2-CB 3.31Å; D149-S270 PolarHBondContact OD2-OG 2.69Å
150K95.7Very high94.8Very high112 Ų11249.9 Ų49.949%0.48725%0.248SC..PPolyproline II helixtrans-71.7127.4164.7-172-166.8-174.7-137.50109.9L148 D152 F153 G155 S157 L185L148-K150 PolarHBondContact O-N 2.91Å; K150-D152 WeakPolarHBondContact CE-O 3.35Å; K150-D152 PolarHBondContact NZ-O 2.86Å; K150-F153 PolarHBondContact NZ-O 2.86Å; K150-G155 WeakPolarHBondContact CE-O 3.39Å; K150-S157 WeakPolarHBondContact CA-OG 3.48Å; K150-L185 HydrophobicContact CB-CD2 4.48Å
151K93Very high95Very high55 Ų5547.2 Ų47.224%0.23924%0.236CC..  trans-114.4-35.8-179-74.7-58.9-157.4128.50112.6S157 D214 D231 L232 I233K151-S157 PolarHBondContact N-OG 2.88Å; K151-S157 VanDerWaalsContact N-OG 3.09Å; K151-D214 HydrophobicContact CB-CB 3.68Å; K151-D214 WeakPolarHBondContact CB-OD2 3.24Å; K151-D214 HydrophobicContact CG-CB 3.97Å; K151-D231 HydrophobicContact CB-CB 4.49Å; K151-D231 IonicContact NZ-OD2 3.86Å; K151-D231 PolarHBondContact NZ-OD2 3.36Å; K151-L232 WeakPolarHBondContact CE-O 3.43Å; K151-L232 PolarHBondContact NZ-O 3.02Å; K151-I233 HydrophobicContact CG-CG1 3.97Å
152D88.3Confident95Very high43 Ų4347.1 Ų47.123%0.2324%0.236CC..  trans-66.2147.8169.5-76.2-51000117K150 D214K150-D152 WeakPolarHBondContact CE-O 3.35Å; K150-D152 PolarHBondContact NZ-O 2.86Å; D152-D214 PolarHBondContact N-OD2 3.27Å
153F86.1Confident94.9Very high170 Ų17045.3 Ų45.375%0.74623%0.228SC*.SBendtrans-72.7-46.3173.1-167.2-95.9000111.7K150K150-F153 PolarHBondContact NZ-O 2.86Å
154F86Confident94.7Very high178 Ų17846.7 Ų46.778%0.78123%0.233SC*.SBendtrans-113116175.7-61.5-73.3000110.4
155G90Very high94.5Very high37 Ų3746.1 Ų46.138%0.38123%0.227SC..SBendtrans96.5173.9-176.900000113.4K150K150-G155 WeakPolarHBondContact CE-O 3.39Å
156K95.1Very high94.2Very high95 Ų9550.3 Ų50.341%0.41324%0.241SC..SBendtrans-83.2167.9170.9-60.7165-178.9173.50108.7N183 L185K156-N183 VanDerWaalsContact CB-OD1 3.32Å; K156-N183 WeakPolarHBondContact CB-OD1 3.47Å; K156-N183 PolarHBondContact N-OD1 3.16Å; K156-L185 HydrophobicContact CB-CD2 3.88Å; K156-L185 HydrophobicContact CB-CG 3.98Å; K156-L185 HydrophobicContact CD-CG 4.08Å; K156-L185 HydrophobicContact CG-CD1 4.33Å; K156-L185 HydrophobicContact CG-CD2 4.35Å; K156-L185 HydrophobicContact CG-CG 3.95Å
157S96.2Very high93.7Very high0 Ų050.7 Ų50.70%024%0.239CC..  trans-56.5155.3173.7-43.70000112.7D149 K150 K151 P159 N183 T184 D214D149-S157 PolarHBondContact O-OG 2.89Å; K150-S157 WeakPolarHBondContact CA-OG 3.48Å; K151-S157 PolarHBondContact N-OG 2.88Å; K151-S157 VanDerWaalsContact N-OG 3.09Å; S157-P159 WeakPolarHBondContact O-CD 3.37Å; S157-N183 CarbonylContact O-C 3.58Å; S157-N183 WeakPolarHBondContact O-CA 3.42Å; S157-N183 PolarHBondContact O-N 3.15Å; S157-T184 PolarHBondContact O-N 2.95Å; S157-T184 VanDerWaalsContact O-O 3.1Å; S157-D214 VanDerWaalsContact C-OD1 3.32Å; S157-D214 WeakPolarHBondContact CA-OD1 3.07Å; S157-D214 WeakPolarHBondContact CB-OD1 3.48Å
158D95Very high93Very high25 Ų2555.4 Ų55.413%0.13426%0.258CS..  trans-10470.2170.3-71.7-10.5000110.5V180 I181 K182 N183 D214 W215D158-V180 HydrophobicContact CB-CG1 3.9Å; D158-I181 CarbonylContact C-O 3.53Å; D158-I181 WeakPolarHBondContact CA-O 3.24Å; D158-K182 WeakPolarHBondContact OD1-CA 3.37Å; D158-K182 WeakPolarHBondContact OD1-CB 3.33Å; D158-N183 PolarHBondContact OD1-N 3.01Å; D158-D214 PolarHBondContact N-OD1 3.08Å; D158-W215 HydrophobicContact CB-CB 4.12Å; D158-W215 HydrophobicContact CB-CE3 4.5Å; D158-W215 PolarHBondContact O-N 3.32Å
159P97.1Very high92.5Very high0 Ų066.6 Ų66.60%030%0.299CS..EExtended strand (participates in β ladder)trans-71.9142.4-167.830.1-42.2000115.7L148 S157 I181 T184 P187 W189 F213 I233L148-P159 HydrophobicContact CD1-CB 3.7Å; L148-P159 HydrophobicContact CD1-CG 3.97Å; S157-P159 WeakPolarHBondContact O-CD 3.37Å; P159-I181 WeakPolarHBondContact CD-O 3.45Å; P159-I181 PolarHBondContact O-N 3.24Å; P159-I181 VanDerWaalsContact O-N 3.12Å; P159-T184 WeakPolarHBondContact CD-O 3.28Å; P159-T184 HydrophobicContact CG-CG2 3.83Å; P159-P187 HydrophobicContact CB-CB 4.49Å; P159-P187 HydrophobicContact CB-CG 4.11Å; P159-P187 HydrophobicContact CG-CB 3.66Å; P159-P187 HydrophobicContact CG-CG 3.58Å; P159-W189 HydrophobicContact CB-CZ2 3.94Å; P159-W189 HydrophobicContact CG-CZ2 4.4Å; P159-W189 PolarHBondContact O-NE1 2.97Å; P159-F213 VanDerWaalsContact CA-O 3.25Å; P159-F213 WeakPolarHBondContact CA-O 3.36Å; P159-I233 HydrophobicContact CB-CD1 4.02Å
160Y95.8Very high92.1Very high1 Ų166.4 Ų66.40%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-141.9160164.770.6-85.9000111.7I162 R177 S178 E179 V180 C212 F213 W215 T227 D230Y160-I162 HydrophobicContact CD2-CG1 4.1Å; Y160-I162 HydrophobicContact CE2-CD1 3.81Å; Y160-I162 HydrophobicContact CE2-CG1 3.81Å; Y160-R177 HydrophobicContact CD2-CG 4.02Å; Y160-R177 HydrophobicContact CE2-CG 4.37Å; Y160-S178 WeakPolarHBondContact CA-OG 3.46Å; Y160-E179 WeakPolarHBondContact CB-O 3.32Å; Y160-V180 HydrophobicContact CD1-CG2 3.87Å; Y160-V180 HydrophobicContact CG-CG2 4.12Å; Y160-C212 WeakPolarHBondContact O-CA 3.19Å; Y160-F213 HydrophobicContact CD1-CB 4.06Å; Y160-F213 HydrophobicContact CD2-CB 4.46Å; Y160-F213 HydrophobicContact CE1-CB 3.48Å; Y160-F213 VanDerWaalsContact CE1-CB 3.48Å; Y160-F213 HydrophobicContact CE1-CG 4.47Å; Y160-F213 HydrophobicContact CE2-CB 3.9Å; Y160-F213 AromaticContact CE2-CD2 3.85Å; Y160-F213 HydrophobicContact CE2-CD2 3.85Å; Y160-F213 HydrophobicContact CE2-CG 4.17Å; Y160-F213 AromaticContact CZ-CG 3.91Å; Y160-F213 PolarHBondContact N-O 3.12Å; Y160-F213 PolarHBondContact O-N 3.47Å; Y160-W215 HydrophobicContact CD1-CB 3.92Å; Y160-W215 HydrophobicContact CE1-CB 3.87Å; Y160-T227 HydrophobicContact CE2-CG2 4.38Å; Y160-D230 HydrophobicContact CE1-CB 4.29Å; Y160-D230 VanDerWaalsContact CE1-OD2 3.24Å; Y160-D230 WeakPolarHBondContact CE1-OD2 3.29Å; Y160-D230 VanDerWaalsContact CZ-OD2 3.24Å; Y160-D230 WeakPolarHBondContact OH-CB 3.5Å; Y160-D230 PolarHBondContact OH-OD2 3.28Å
161V96.7Very high91.9Very high0 Ų068.1 Ų68.10%031%0.313CS..EExtended strand (participates in β ladder)trans-119.6135.3-177.4179.60000110.9M143 I163 R177 S178 W189 F210 R211 C212 L273M143-V161 HydrophobicContact CE-CB 3.89Å; M143-V161 HydrophobicContact CE-CG1 4.06Å; M143-V161 HydrophobicContact CE-CG2 4.38Å; M143-V161 HydrophobicContact SD-CB 4.29Å; M143-V161 HydrophobicContact SD-CG1 3.89Å; V161-I163 HydrophobicContact CG1-CG1 4.49Å; V161-R177 WeakPolarHBondContact O-CA 3.42Å; V161-S178 PolarHBondContact N-OG 2.66Å; V161-S178 PolarHBondContact O-N 3.49Å; V161-W189 HydrophobicContact CG2-CE3 4.48Å; V161-W189 HydrophobicContact CG2-CH2 3.59Å; V161-W189 HydrophobicContact CG2-CZ2 3.64Å; V161-W189 HydrophobicContact CG2-CZ3 4.08Å; V161-F210 HydrophobicContact CG1-CD1 4.1Å; V161-R211 CarbonylContact C-O 3.57Å; V161-R211 WeakPolarHBondContact CA-O 3.45Å; V161-C212 HydrophobicContact CG2-CB 4.32Å; V161-L273 HydrophobicContact CG1-CD2 4.42Å; V161-L273 HydrophobicContact CG2-CD1 4.2Å; V161-L273 HydrophobicContact CG2-CD2 4.26Å
162I95.4Very high91.8Very high1 Ų168 Ų681%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-111131.6166.5-55.8-178.6000109.7Y160 Y164 K174 Y176 R177 R211 F213 T227Y160-I162 HydrophobicContact CD2-CG1 4.1Å; Y160-I162 HydrophobicContact CE2-CD1 3.81Å; Y160-I162 HydrophobicContact CE2-CG1 3.81Å; I162-Y164 HydrophobicContact CB-CD2 4.36Å; I162-Y164 HydrophobicContact CB-CE2 3.65Å; I162-Y164 HydrophobicContact CG2-CD1 4.47Å; I162-Y164 HydrophobicContact CG2-CD2 3.77Å; I162-Y164 HydrophobicContact CG2-CE1 4.01Å; I162-Y164 HydrophobicContact CG2-CE2 3.21Å; I162-Y164 HydrophobicContact CG2-CG 4.37Å; I162-K174 HydrophobicContact CG2-CD 4.18Å; I162-K174 HydrophobicContact CG2-CG 3.86Å; I162-Y176 WeakPolarHBondContact CA-O 3.48Å; I162-Y176 VanDerWaalsContact CG2-O 3.3Å; I162-Y176 WeakPolarHBondContact CG2-O 3.44Å; I162-R177 HydrophobicContact CD1-CG 4.45Å; I162-R177 HydrophobicContact CG1-CB 4.12Å; I162-R177 HydrophobicContact CG1-CG 4Å; I162-R211 PolarHBondContact N-O 2.84Å; I162-R211 PolarHBondContact O-N 3.35Å; I162-F213 HydrophobicContact CB-CE2 4.41Å; I162-F213 HydrophobicContact CD1-CD2 4.37Å; I162-F213 HydrophobicContact CD1-CE2 4.07Å; I162-F213 HydrophobicContact CG1-CD2 4.38Å; I162-F213 HydrophobicContact CG1-CE2 4.27Å; I162-T227 HydrophobicContact CD1-CG2 3.26Å
163I95.3Very high92Very high1 Ų169.5 Ų69.51%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-101.5123.1173.3-50.5177.5000107.9I141 M143 V161 C175 Y176 L199 Y209 F210I141-I163 HydrophobicContact CD1-CD1 4Å; M143-I163 HydrophobicContact SD-CD1 4.39Å; V161-I163 HydrophobicContact CG1-CG1 4.49Å; I163-C175 HydrophobicContact CB-CB 4.46Å; I163-C175 HydrophobicContact CG2-CB 4.39Å; I163-C175 WeakPolarHBondContact O-CB 3.18Å; I163-C175 PolarHBondContact O-N 2.84Å; I163-Y176 HydrophobicContact CD1-CD1 4.45Å; I163-Y176 PolarHBondContact N-O 3.18Å; I163-Y176 PolarHBondContact O-N 2.97Å; I163-L199 HydrophobicContact CG2-CD1 4.16Å; I163-Y209 WeakPolarHBondContact CA-O 3.36Å; I163-F210 HydrophobicContact CD1-CD1 4.28Å; I163-F210 HydrophobicContact CD1-CE1 3.56Å; I163-F210 HydrophobicContact CD1-CZ 4.04Å; I163-F210 HydrophobicContact CG1-CD1 3.86Å; I163-F210 HydrophobicContact CG1-CE1 3.64Å; I163-F210 HydrophobicContact CG1-CZ 4.22Å; I163-F210 HydrophobicContact CG2-CE1 4.35Å; I163-F210 HydrophobicContact CG2-CE2 4.29Å; I163-F210 HydrophobicContact CG2-CZ 4.09Å
164Y94.5Very high92.2Very high29 Ų2966.3 Ų66.311%0.11431%0.307CS..EExtended strand (participates in β ladder)trans-114.3145.8171.4-57.9-96.7000110.7I162 L172 Q173 K174 L208 Y209 R211I162-Y164 HydrophobicContact CB-CD2 4.36Å; I162-Y164 HydrophobicContact CB-CE2 3.65Å; I162-Y164 HydrophobicContact CG2-CD1 4.47Å; I162-Y164 HydrophobicContact CG2-CD2 3.77Å; I162-Y164 HydrophobicContact CG2-CE1 4.01Å; I162-Y164 HydrophobicContact CG2-CE2 3.21Å; I162-Y164 HydrophobicContact CG2-CG 4.37Å; Y164-L172 HydrophobicContact CD1-CB 4.24Å; Y164-Q173 CarbonylContact C-O 3.55Å; Y164-Q173 WeakPolarHBondContact CA-O 3.3Å; Y164-K174 HydrophobicContact CD1-CB 4.11Å; Y164-K174 HydrophobicContact CE1-CB 4.01Å; Y164-K174 HydrophobicContact CE1-CG 4.46Å; Y164-L208 CarbonylContact O-C 3.53Å; Y164-L208 VanDerWaalsContact O-CA 3.32Å; Y164-L208 WeakPolarHBondContact O-CA 3.17Å; Y164-Y209 PolarHBondContact N-O 2.89Å; Y164-Y209 PolarHBondContact O-N 2.83Å; Y164-R211 HydrophobicContact CD2-CG 4.41Å; Y164-R211 HydrophobicContact CE2-CB 4.46Å; Y164-R211 HydrophobicContact CE2-CG 4.26Å
165R93.9Very high92.4Very high43 Ų4359 Ų5916%0.16228%0.278CS..EExtended strand (participates in β ladder)trans-105.2135.3166.6175-17664.9-158.11.4109.9L172 Q173 C175 D197 R198 L199 G201 L208R165-L172 WeakPolarHBondContact O-CA 3.35Å; R165-Q173 PolarHBondContact N-O 3.11Å; R165-Q173 PolarHBondContact O-N 3.41Å; R165-C175 WeakPolarHBondContact CB-SG 3.27Å; R165-D197 PolarHBondContact NH1-O 2.81Å; R165-R198 PolarHBondContact NH1-O 3.17Å; R165-R198 VanDerWaalsContact NH1-O 3.08Å; R165-L199 WeakPolarHBondContact CD-O 3Å; R165-G201 VanDerWaalsContact NH1-CA 3.3Å; R165-L208 HydrophobicContact CB-CD2 4Å; R165-L208 HydrophobicContact CG-CD2 4.34Å
166R92.2Very high92.5Very high95 Ų9560 Ų6036%0.35827%0.27SS..EExtended strand (participates in β ladder)trans-80.2117.4166-171.7-175.8-70.6-97.8-0.5109.3G170 L172 E207 Y209R166-G170 PolarHBondContact NH1-O 3.15Å; R166-L172 HydrophobicContact CB-CD2 4.06Å; R166-E207 HydrophobicContact CB-CB 4.16Å; R166-E207 WeakPolarHBondContact CD-OE2 3.29Å; R166-E207 IonicContact CZ-OE2 3.16Å; R166-E207 PolarHBondContact N-O 2.93Å; R166-E207 IonicContact NE-OE2 3.53Å; R166-E207 PolarHBondContact NE-OE2 2.71Å; R166-E207 IonicContact NH2-OE2 2.7Å; R166-Y209 HydrophobicContact CB-CE2 4.34Å; R166-Y209 PolarHBondContact NH2-OH 3.18Å
167N87Confident92.4Very high36 Ų3656 Ų5619%0.19325%0.253CS..  trans-77.8173.7174.372.613.3000111.9R169 G170 K171 Q173N167-R169 PolarHBondContact O-N 3.39Å; N167-R169 VanDerWaalsContact O-N 3.13Å; N167-R169 WeakPolarHBondContact OD1-CA 3.46Å; N167-R169 WeakPolarHBondContact OD1-CB 3.43Å; N167-R169 PolarHBondContact OD1-N 3.02Å; N167-G170 WeakPolarHBondContact O-CA 3.39Å; N167-G170 PolarHBondContact O-N 3.36Å; N167-G170 PolarHBondContact OD1-N 3.08Å; N167-K171 VanDerWaalsContact CG-O 3.3Å; N167-K171 PolarHBondContact N-O 3.42Å; N167-K171 PolarHBondContact OD1-N 3.45Å; N167-K171 PolarHBondContact OD1-O 3.48Å; N167-Q173 PolarHBondContact ND2-NE2 3.17Å
168E83.5Confident92.3Very high202 Ų20256.1 Ų56.194%0.94425%0.253SS*.THydrogen-bonded Turntrans-58.5-26.1179.7-62.3179.5168.700113.9G170E168-G170 PolarHBondContact O-N 3.24Å
169R88.5Confident92.2Very high240 Ų24057.4 Ų57.491%0.90626%0.258SS*.THydrogen-bonded Turntrans-82.54.9175.3-60.1-174.9180-169.9-0.4112.9N167 K171N167-R169 PolarHBondContact O-N 3.39Å; N167-R169 VanDerWaalsContact O-N 3.13Å; N167-R169 WeakPolarHBondContact OD1-CA 3.46Å; N167-R169 WeakPolarHBondContact OD1-CB 3.43Å; N167-R169 PolarHBondContact OD1-N 3.02Å; R169-K171 PolarHBondContact O-N 3.15Å
170G88.2Confident92.1Very high32 Ų3258.1 Ų58.133%0.3326%0.263SS..SBendtrans763.1-177.300000114.9R166 N167 E168R166-G170 PolarHBondContact NH1-O 3.15Å; N167-G170 WeakPolarHBondContact O-CA 3.39Å; N167-G170 PolarHBondContact O-N 3.36Å; N167-G170 PolarHBondContact OD1-N 3.08Å; E168-G170 PolarHBondContact O-N 3.24Å
171K91.7Very high92.1Very high147 Ų14760 Ų6064%0.63927%0.273SS*.  trans-82.6136.2179.7-178177.7179.3178.70110.3N167 R169N167-K171 VanDerWaalsContact CG-O 3.3Å; N167-K171 PolarHBondContact N-O 3.42Å; N167-K171 PolarHBondContact OD1-N 3.45Å; N167-K171 PolarHBondContact OD1-O 3.48Å; R169-K171 PolarHBondContact O-N 3.15Å
172L91.4Very high92Very high53 Ų5366.6 Ų66.628%0.27730%0.301SS..EExtended strand (participates in β ladder)trans-75.4129.6170.9-64.4-179.8000110.6Y164 R165 R166 Y209Y164-L172 HydrophobicContact CD1-CB 4.24Å; R165-L172 WeakPolarHBondContact O-CA 3.35Å; R166-L172 HydrophobicContact CB-CD2 4.06Å; L172-Y209 HydrophobicContact CD2-CD2 3.55Å; L172-Y209 HydrophobicContact CD2-CE2 3.88Å; L172-Y209 HydrophobicContact CD2-CG 4.2Å
173Q91.8Very high92Very high74 Ų7471 Ų7135%0.34633%0.325SS..EExtended strand (participates in β ladder)trans-114.5127.6172.8-67.4179-32.500108.3Y164 R165 N167 C175Y164-Q173 CarbonylContact C-O 3.55Å; Y164-Q173 WeakPolarHBondContact CA-O 3.3Å; R165-Q173 PolarHBondContact N-O 3.11Å; R165-Q173 PolarHBondContact O-N 3.41Å; N167-Q173 PolarHBondContact ND2-NE2 3.17Å; Q173-C175 PolarHBondContact O-N 2.88Å
174K90.9Very high92.1Very high103 Ų10372.1 Ų72.145%0.44833%0.332SS..EExtended strand (participates in β ladder)trans-64.6119.6173.8-175.4174.972.3175.70108.3I162 Y164 E223I162-K174 HydrophobicContact CG2-CD 4.18Å; I162-K174 HydrophobicContact CG2-CG 3.86Å; Y164-K174 HydrophobicContact CD1-CB 4.11Å; Y164-K174 HydrophobicContact CE1-CB 4.01Å; Y164-K174 HydrophobicContact CE1-CG 4.46Å; K174-E223 PolarHBondContact NZ-O 3.19Å
175C91Very high92.3Very high25 Ų2572.4 Ų72.417%0.16934%0.335CS..EExtended strand (participates in β ladder)trans-91.1-39.7174.4-660000110.9I163 R165 Q173I163-C175 HydrophobicContact CB-CB 4.46Å; I163-C175 HydrophobicContact CG2-CB 4.39Å; I163-C175 WeakPolarHBondContact O-CB 3.18Å; I163-C175 PolarHBondContact O-N 2.84Å; R165-C175 WeakPolarHBondContact CB-SG 3.27Å; Q173-C175 PolarHBondContact O-N 2.88Å
176Y91.6Very high92.5Very high57 Ų5775.8 Ų75.822%0.22435%0.351CS..EExtended strand (participates in β ladder)trans-162.9152-173.8-178-100.7000112.3I162 I163 I192I162-Y176 WeakPolarHBondContact CA-O 3.48Å; I162-Y176 VanDerWaalsContact CG2-O 3.3Å; I162-Y176 WeakPolarHBondContact CG2-O 3.44Å; I163-Y176 HydrophobicContact CD1-CD1 4.45Å; I163-Y176 PolarHBondContact N-O 3.18Å; I163-Y176 PolarHBondContact O-N 2.97Å; Y176-I192 HydrophobicContact CD1-CD1 3.4Å; Y176-I192 HydrophobicContact CD1-CG1 4.08Å; Y176-I192 HydrophobicContact CD1-CG2 4.15Å; Y176-I192 HydrophobicContact CD2-CG2 3.63Å; Y176-I192 HydrophobicContact CE1-CB 4.33Å; Y176-I192 HydrophobicContact CE1-CD1 3.05Å; Y176-I192 HydrophobicContact CE1-CG1 3.4Å; Y176-I192 VanDerWaalsContact CE1-CG1 3.4Å; Y176-I192 HydrophobicContact CE1-CG2 4Å; Y176-I192 HydrophobicContact CE2-CB 4.5Å; Y176-I192 HydrophobicContact CE2-CG1 4.25Å; Y176-I192 HydrophobicContact CE2-CG2 3.49Å; Y176-I192 VanDerWaalsContact CE2-CG2 3.49Å; Y176-I192 HydrophobicContact CG-CD1 4.28Å; Y176-I192 HydrophobicContact CG-CG2 3.96Å
177R92.6Very high92.8Very high13 Ų1371.4 Ų71.45%0.04934%0.335CS..EExtended strand (participates in β ladder)trans-128.1130.2167175.5-177.2-179.3-91.69108.6Y160 V161 I162 V180 D221Y160-R177 HydrophobicContact CD2-CG 4.02Å; Y160-R177 HydrophobicContact CE2-CG 4.37Å; V161-R177 WeakPolarHBondContact O-CA 3.42Å; I162-R177 HydrophobicContact CD1-CG 4.45Å; I162-R177 HydrophobicContact CG1-CB 4.12Å; I162-R177 HydrophobicContact CG1-CG 4Å; R177-V180 VanDerWaalsContact NH2-CG2 3.32Å; R177-D221 IonicContact CZ-OD1 3.37Å; R177-D221 IonicContact NH1-OD1 3.04Å; R177-D221 PolarHBondContact NH1-OD1 2.84Å; R177-D221 IonicContact NH2-OD1 2.84Å; R177-D221 PolarHBondContact NH2-OD1 2.79Å
178S94.4Very high93.4Very high2 Ų274 Ų741%0.01435%0.349CS..PPolyproline II helixtrans-73.9170.517674.70000112.8Y160 V161 W189Y160-S178 WeakPolarHBondContact CA-OG 3.46Å; V161-S178 PolarHBondContact N-OG 2.66Å; V161-S178 PolarHBondContact O-N 3.49Å; S178-W189 VanDerWaalsContact OG-CD1 3.28Å; S178-W189 PolarHBondContact OG-NE1 3.49Å
179E93.8Very high94Very high51 Ų5164.5 Ų64.524%0.23830%0.304CS..PPolyproline II helixtrans-62.7155.4161.476.6-81.5-150.700111.5Y160 I181 W189 K190Y160-E179 WeakPolarHBondContact CB-O 3.32Å; E179-I181 HydrophobicContact CG-CG1 4.19Å; E179-W189 VanDerWaalsContact O-CD1 3.26Å; E179-W189 PolarHBondContact O-NE1 3.41Å; E179-W189 WeakPolarHBondContact OE1-CA 3.39Å; E179-K190 WeakPolarHBondContact OE1-CG 3.34Å; E179-K190 PolarHBondContact OE1-N 2.88Å
180V94.2Very high94.5Very high16 Ų1660.1 Ų60.110%0.09729%0.292CS..PPolyproline II helixtrans-83.4128.7168.8177.70000109.1D158 Y160 R177 W215 D221D158-V180 HydrophobicContact CB-CG1 3.9Å; Y160-V180 HydrophobicContact CD1-CG2 3.87Å; Y160-V180 HydrophobicContact CG-CG2 4.12Å; R177-V180 VanDerWaalsContact NH2-CG2 3.32Å; V180-W215 HydrophobicContact CG1-CB 3.79Å; V180-W215 HydrophobicContact CG1-CD2 4.19Å; V180-W215 HydrophobicContact CG1-CE3 4.13Å; V180-W215 HydrophobicContact CG1-CG 4.12Å; V180-W215 HydrophobicContact CG2-CB 3.97Å; V180-W215 HydrophobicContact CG2-CD2 4.35Å; V180-W215 HydrophobicContact CG2-CG 3.9Å; V180-D221 VanDerWaalsContact CG2-OD1 3.24Å; V180-D221 WeakPolarHBondContact CG2-OD1 3.38Å
181I96.2Very high94.8Very high41 Ų4161.3 Ų61.321%0.2129%0.294CS..  trans-108.2114.1173.6-56.7-178.7000108.5D158 P159 E179 T184 P187 D188 W189D158-I181 CarbonylContact C-O 3.53Å; D158-I181 WeakPolarHBondContact CA-O 3.24Å; P159-I181 WeakPolarHBondContact CD-O 3.45Å; P159-I181 PolarHBondContact O-N 3.24Å; P159-I181 VanDerWaalsContact O-N 3.12Å; E179-I181 HydrophobicContact CG-CG1 4.19Å; I181-T184 HydrophobicContact CB-CG2 4.14Å; I181-T184 HydrophobicContact CG2-CG2 3.6Å; I181-P187 HydrophobicContact CB-CB 4.33Å; I181-P187 HydrophobicContact CD1-CB 3.92Å; I181-D188 WeakPolarHBondContact CD1-O 3.1Å; I181-W189 HydrophobicContact CD1-CD2 4.39Å; I181-W189 HydrophobicContact CD1-CG 3.97Å
182K94.4Very high94.8Very high138 Ų13854.8 Ų54.860%0.627%0.266SS*.  trans-73.7143.6-172.4-59.3-169.2177-169.20114D158 T184D158-K182 WeakPolarHBondContact OD1-CA 3.37Å; D158-K182 WeakPolarHBondContact OD1-CB 3.33Å; K182-T184 PolarHBondContact O-N 3.27Å
183N95.2Very high94.9Very high94 Ų9457.2 Ų57.250%0.50328%0.279SS..SBendtrans5254165.4-17220.4000113.1K156 S157 D158K156-N183 VanDerWaalsContact CB-OD1 3.32Å; K156-N183 WeakPolarHBondContact CB-OD1 3.47Å; K156-N183 PolarHBondContact N-OD1 3.16Å; S157-N183 CarbonylContact O-C 3.58Å; S157-N183 WeakPolarHBondContact O-CA 3.42Å; S157-N183 PolarHBondContact O-N 3.15Å; D158-N183 PolarHBondContact OD1-N 3.01Å
184T97.8Very high94.7Very high24 Ų2454.2 Ų54.215%0.14727%0.265CS..  trans-144.2144.5179.7-170.50000113.2S157 P159 I181 K182 F186 P187S157-T184 PolarHBondContact O-N 2.95Å; S157-T184 VanDerWaalsContact O-O 3.1Å; P159-T184 WeakPolarHBondContact CD-O 3.28Å; P159-T184 HydrophobicContact CG-CG2 3.83Å; I181-T184 HydrophobicContact CB-CG2 4.14Å; I181-T184 HydrophobicContact CG2-CG2 3.6Å; K182-T184 PolarHBondContact O-N 3.27Å; T184-F186 PolarHBondContact OG1-N 2.91Å; T184-F186 PolarHBondContact OG1-O 3.42Å; T184-P187 HydrophobicContact CG2-CB 3.87Å
185L98.2Very high94.5Very high34 Ų3450.7 Ų50.718%0.17825%0.253CS..SBendtrans-105.96.8167.6-52.5-179.6000111.6A146 N147 L148 K150 K156 P187A146-L185 CarbonylContact C-O 3.5Å; N147-L185 PolarHBondContact N-O 3.11Å; N147-L185 VanDerWaalsContact N-O 3.1Å; L148-L185 HydrophobicContact CB-CB 4.29Å; L148-L185 HydrophobicContact CB-CD2 4.34Å; L148-L185 PolarHBondContact N-O 2.66Å; L148-L185 VanDerWaalsContact N-O 3.07Å; L148-L185 WeakPolarHBondContact O-CD1 3.34Å; L148-L185 WeakPolarHBondContact O-CD2 3.48Å; K150-L185 HydrophobicContact CB-CD2 4.48Å; K156-L185 HydrophobicContact CB-CD2 3.88Å; K156-L185 HydrophobicContact CB-CG 3.98Å; K156-L185 HydrophobicContact CD-CG 4.08Å; K156-L185 HydrophobicContact CG-CD1 4.33Å; K156-L185 HydrophobicContact CG-CD2 4.35Å; K156-L185 HydrophobicContact CG-CG 3.95Å; L185-P187 VanDerWaalsContact C-CD 3.46Å
186F98.5Very high94.3Very high115 Ų11549.5 Ų49.550%0.50425%0.245SC..SBendtrans-134.958.2-179.7-59.4-91.1000110G145 A146 N147 T184G145-F186 CarbonylContact O-C 3.46Å; G145-F186 VanDerWaalsContact O-CA 3.28Å; G145-F186 WeakPolarHBondContact O-CA 3.41Å; A146-F186 HydrophobicContact CB-CD1 4.14Å; A146-F186 HydrophobicContact CB-CE1 4.35Å; N147-F186 WeakPolarHBondContact OD1-CE1 3.44Å; N147-F186 VanDerWaalsContact OD1-CZ 3.24Å; N147-F186 WeakPolarHBondContact OD1-CZ 3.38Å; T184-F186 PolarHBondContact OG1-N 2.91Å; T184-F186 PolarHBondContact OG1-O 3.42Å
187P98.4Very high94.1Very high2 Ų248.3 Ų48.31%0.01324%0.242CC..  trans-66.9147.1-179.127.9-35.7000112.5N144 G145 L148 P159 I181 T184 L185 W189N144-P187 WeakPolarHBondContact CA-O 3.41Å; G145-P187 PolarHBondContact N-O 2.64Å; L148-P187 HydrophobicContact CD1-CG 3.54Å; L148-P187 HydrophobicContact CG-CG 4.47Å; P159-P187 HydrophobicContact CB-CB 4.49Å; P159-P187 HydrophobicContact CB-CG 4.11Å; P159-P187 HydrophobicContact CG-CB 3.66Å; P159-P187 HydrophobicContact CG-CG 3.58Å; I181-P187 HydrophobicContact CB-CB 4.33Å; I181-P187 HydrophobicContact CD1-CB 3.92Å; T184-P187 HydrophobicContact CG2-CB 3.87Å; L185-P187 VanDerWaalsContact C-CD 3.46Å; P187-W189 HydrophobicContact CB-CD2 4.17Å; P187-W189 HydrophobicContact CB-CE3 4.2Å; P187-W189 HydrophobicContact CB-CH2 3.75Å; P187-W189 HydrophobicContact CB-CZ2 3.66Å; P187-W189 HydrophobicContact CB-CZ3 3.98Å; P187-W189 HydrophobicContact CG-CE3 4.28Å; P187-W189 HydrophobicContact CG-CH2 3.17Å; P187-W189 HydrophobicContact CG-CZ2 3.52Å; P187-W189 HydrophobicContact CG-CZ3 3.56Å
188D98.3Very high93.7Very high92 Ų9255.9 Ų55.949%0.49227%0.271SS..EExtended strand (participates in β ladder)trans-13089176.3-178.118.9000109.1K142 N144 I181K142-D188 WeakPolarHBondContact CE-OD1 3.42Å; K142-D188 IonicContact NZ-OD1 2.63Å; K142-D188 PolarHBondContact NZ-OD1 3.38Å; K142-D188 IonicContact NZ-OD2 2.74Å; N144-D188 PolarHBondContact ND2-OD1 3.38Å; I181-D188 WeakPolarHBondContact CD1-O 3.1Å
189W98.1Very high93.4Very high1 Ų155.8 Ų55.80%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-76145.7-174.2-64.2-83.4000112.2K142 M143 P159 V161 S178 E179 I181 P187 L273K142-W189 WeakPolarHBondContact CD-O 3.26Å; K142-W189 WeakPolarHBondContact CE-O 3.25Å; K142-W189 PolarHBondContact NZ-O 2.96Å; M143-W189 HydrophobicContact CB-CE3 3.82Å; M143-W189 HydrophobicContact CB-CZ3 4.39Å; M143-W189 PolarHBondContact O-N 3.15Å; P159-W189 HydrophobicContact CB-CZ2 3.94Å; P159-W189 HydrophobicContact CG-CZ2 4.4Å; P159-W189 PolarHBondContact O-NE1 2.97Å; V161-W189 HydrophobicContact CG2-CE3 4.48Å; V161-W189 HydrophobicContact CG2-CH2 3.59Å; V161-W189 HydrophobicContact CG2-CZ2 3.64Å; V161-W189 HydrophobicContact CG2-CZ3 4.08Å; S178-W189 VanDerWaalsContact OG-CD1 3.28Å; S178-W189 PolarHBondContact OG-NE1 3.49Å; E179-W189 VanDerWaalsContact O-CD1 3.26Å; E179-W189 PolarHBondContact O-NE1 3.41Å; E179-W189 WeakPolarHBondContact OE1-CA 3.39Å; I181-W189 HydrophobicContact CD1-CD2 4.39Å; I181-W189 HydrophobicContact CD1-CG 3.97Å; P187-W189 HydrophobicContact CB-CD2 4.17Å; P187-W189 HydrophobicContact CB-CE3 4.2Å; P187-W189 HydrophobicContact CB-CH2 3.75Å; P187-W189 HydrophobicContact CB-CZ2 3.66Å; P187-W189 HydrophobicContact CB-CZ3 3.98Å; P187-W189 HydrophobicContact CG-CE3 4.28Å; P187-W189 HydrophobicContact CG-CH2 3.17Å; P187-W189 HydrophobicContact CG-CZ2 3.52Å; P187-W189 HydrophobicContact CG-CZ3 3.56Å; W189-L273 HydrophobicContact CE3-CD1 4.28Å; W189-L273 HydrophobicContact CH2-CD1 3.76Å; W189-L273 HydrophobicContact CZ3-CD1 3.3Å
190K97Very high93.1Very high149 Ų14953.5 Ų53.565%0.64826%0.26SS*.EExtended strand (participates in β ladder)trans-58.3144.9176.2-70.5172.7-174.1172.30110.8E179E179-K190 WeakPolarHBondContact OE1-CG 3.34Å; E179-K190 PolarHBondContact OE1-N 2.88Å
191P95.8Very high92.5Very high57 Ų5754.7 Ų54.737%0.3728%0.275SS..EExtended strand (participates in β ladder)trans-60.1141.2173.1-14.223.4000112.1F140 I141 K142 Y278F140-P191 HydrophobicContact CB-CB 4.33Å; F140-P191 HydrophobicContact CD1-CB 3.84Å; F140-P191 HydrophobicContact CG-CB 4.37Å; I141-P191 WeakPolarHBondContact O-CA 3.37Å; K142-P191 HydrophobicContact CD-CG 4.08Å; P191-Y278 WeakPolarHBondContact CB-OH 3.44Å; P191-Y278 WeakPolarHBondContact CG-OH 3.45Å
192I92.3Very high91.7Very high9 Ų954.6 Ų54.65%0.04628%0.284CS..EExtended strand (participates in β ladder)trans-107.6119.2-175-53.2152.6000108.5F140 I141 M143 Y176F140-I192 CarbonylContact C-O 3.55Å; F140-I192 VanDerWaalsContact CA-O 3.22Å; F140-I192 WeakPolarHBondContact CA-O 3.24Å; I141-I192 HydrophobicContact CB-CB 4.36Å; I141-I192 HydrophobicContact CB-CD1 4.32Å; I141-I192 PolarHBondContact N-O 2.63Å; I141-I192 PolarHBondContact O-N 3.41Å; M143-I192 HydrophobicContact CE-CD1 3.67Å; Y176-I192 HydrophobicContact CD1-CD1 3.4Å; Y176-I192 HydrophobicContact CD1-CG1 4.08Å; Y176-I192 HydrophobicContact CD1-CG2 4.15Å; Y176-I192 HydrophobicContact CD2-CG2 3.63Å; Y176-I192 HydrophobicContact CE1-CB 4.33Å; Y176-I192 HydrophobicContact CE1-CD1 3.05Å; Y176-I192 HydrophobicContact CE1-CG1 3.4Å; Y176-I192 VanDerWaalsContact CE1-CG1 3.4Å; Y176-I192 HydrophobicContact CE1-CG2 4Å; Y176-I192 HydrophobicContact CE2-CB 4.5Å; Y176-I192 HydrophobicContact CE2-CG1 4.25Å; Y176-I192 HydrophobicContact CE2-CG2 3.49Å; Y176-I192 VanDerWaalsContact CE2-CG2 3.49Å; Y176-I192 HydrophobicContact CG-CD1 4.28Å; Y176-I192 HydrophobicContact CG-CG2 3.96Å
193L91.6Very high91.3Very high105 Ų10551.7 Ų51.755%0.5528%0.276SS..EExtended strand (participates in β ladder)trans-78.4119.4171.4-17665.6000109.7N138 F140 A280N138-L193 HydrophobicContact CB-CD1 3.77Å; F140-L193 HydrophobicContact CD1-CB 4.2Å; F140-L193 HydrophobicContact CD1-CD1 4.38Å; F140-L193 HydrophobicContact CE1-CB 3.84Å; F140-L193 HydrophobicContact CE1-CD1 4.04Å; F140-L193 HydrophobicContact CE2-CD1 4.38Å; F140-L193 HydrophobicContact CZ-CD1 4.05Å; L193-A280 HydrophobicContact CD1-CB 3.33Å
194I88.9Confident91.1Very high10 Ų1048.6 Ų48.65%0.05126%0.259CS..EExtended strand (participates in β ladder)trans-143.2139.2177.8-167.5169.5000111.3I139 I141 R198 L199I139-I194 HydrophobicContact CD1-CG2 4.26Å; I139-I194 HydrophobicContact CG1-CG2 3.85Å; I139-I194 WeakPolarHBondContact CG1-O 3.14Å; I139-I194 PolarHBondContact N-O 3.49Å; I139-I194 PolarHBondContact O-N 2.81Å; I141-I194 HydrophobicContact CD1-CG2 3.72Å; I141-I194 HydrophobicContact CG1-CG2 3.86Å; I194-R198 HydrophobicContact CD1-CG 4.36Å; I194-R198 HydrophobicContact CG1-CB 4.18Å; I194-R198 HydrophobicContact CG1-CG 4.38Å; I194-L199 HydrophobicContact CD1-CB 4.23Å; I194-L199 HydrophobicContact CD1-CD1 4.32Å
195C86Confident90.8Very high30 Ų3052.1 Ų52.120%0.20328%0.277CS..EExtended strand (participates in β ladder)trans-68.1136169.6172.10000109.9N138 D197 R198 L199N138-C195 WeakPolarHBondContact OD1-CA 3.46Å; N138-C195 PolarHBondContact OD1-N 2.7Å; C195-D197 VanDerWaalsContact C-N 3.32Å; C195-D197 PolarHBondContact O-N 3.49Å; C195-R198 HydrophobicContact CB-CB 4.3Å; C195-R198 WeakPolarHBondContact O-CB 3.44Å; C195-R198 PolarHBondContact O-N 3.15Å; C195-L199 PolarHBondContact O-N 3.35Å
196L87.9Confident90.5Very high0 Ų051.1 Ų51.10%027%0.272CS..Hα-helixtrans-61.1-40.2-175.4-165.556.1000112.3F134 E137 I139 R198 L199 C200 V240 L553F134-L196 HydrophobicContact CD1-CB 4.47Å; F134-L196 HydrophobicContact CD1-CD2 3.35Å; F134-L196 HydrophobicContact CD1-CG 3.73Å; F134-L196 HydrophobicContact CE1-CD2 3.55Å; F134-L196 HydrophobicContact CE1-CG 4.21Å; E137-L196 PolarHBondContact O-N 2.77Å; E137-L196 VanDerWaalsContact O-N 3.15Å; I139-L196 HydrophobicContact CD1-CD1 3.68Å; I139-L196 HydrophobicContact CG1-CD1 4.31Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 3.42Å; L196-L199 HydrophobicContact CD1-CD2 4.47Å; L196-L199 WeakPolarHBondContact O-CA 3.2Å; L196-L199 WeakPolarHBondContact O-CB 3.39Å; L196-L199 PolarHBondContact O-N 3.24Å; L196-C200 PolarHBondContact O-N 2.88Å; L196-C200 PolarHBondContact O-SG 2.86Å; L196-V240 HydrophobicContact CD1-CG1 3.71Å; L196-L553 HydrophobicContact CD2-CD1 3.72Å
197D85.6Confident90.3Very high32 Ų3248.6 Ų48.617%0.17126%0.262CS..Hα-helixtrans-61.8-35.3173.3-17463.8000113F134 R165 C195 L199 C200 G201 G202F134-D197 WeakPolarHBondContact O-CB 3.23Å; F134-D197 PolarHBondContact O-N 2.87Å; F134-D197 VanDerWaalsContact O-N 3.08Å; R165-D197 PolarHBondContact NH1-O 2.81Å; C195-D197 VanDerWaalsContact C-N 3.32Å; C195-D197 PolarHBondContact O-N 3.49Å; D197-L199 VanDerWaalsContact C-N 3.25Å; D197-L199 PolarHBondContact O-N 3.14Å; D197-C200 PolarHBondContact O-N 2.71Å; D197-G201 WeakPolarHBondContact O-CA 3.32Å; D197-G201 PolarHBondContact O-N 3.21Å; D197-G202 PolarHBondContact OD1-N 2.83Å
198R84.2Confident90.2Very high171 Ų17148.5 Ų48.565%0.64526%0.261SS*.Hα-helixtrans-64.8-33.7173.6-172.9-179.6-71.4-179.4-0.6111.5R165 I194 C195 L196R165-R198 PolarHBondContact NH1-O 3.17Å; R165-R198 VanDerWaalsContact NH1-O 3.08Å; I194-R198 HydrophobicContact CD1-CG 4.36Å; I194-R198 HydrophobicContact CG1-CB 4.18Å; I194-R198 HydrophobicContact CG1-CG 4.38Å; C195-R198 HydrophobicContact CB-CB 4.3Å; C195-R198 WeakPolarHBondContact O-CB 3.44Å; C195-R198 PolarHBondContact O-N 3.15Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 3.42Å
199L89.3Confident90.1Very high1 Ų145.7 Ų45.71%0.00524%0.244CC..Hα-helixtrans-74.6-42.7178.4-174.465000112.2I139 I141 I163 R165 I194 C195 L196 D197 L208 V240I139-L199 HydrophobicContact CD1-CD2 3.86Å; I141-L199 HydrophobicContact CD1-CD1 4.07Å; I141-L199 HydrophobicContact CD1-CD2 4Å; I163-L199 HydrophobicContact CG2-CD1 4.16Å; R165-L199 WeakPolarHBondContact CD-O 3Å; I194-L199 HydrophobicContact CD1-CB 4.23Å; I194-L199 HydrophobicContact CD1-CD1 4.32Å; C195-L199 PolarHBondContact O-N 3.35Å; L196-L199 HydrophobicContact CD1-CD2 4.47Å; L196-L199 WeakPolarHBondContact O-CA 3.2Å; L196-L199 WeakPolarHBondContact O-CB 3.39Å; L196-L199 PolarHBondContact O-N 3.24Å; D197-L199 VanDerWaalsContact C-N 3.25Å; D197-L199 PolarHBondContact O-N 3.14Å; L199-L208 HydrophobicContact CD1-CD1 3.9Å; L199-L208 HydrophobicContact CD1-CD2 4.25Å; L199-L208 HydrophobicContact CD2-CD1 4.19Å; L199-L208 HydrophobicContact CG-CD1 3.98Å; L199-L208 HydrophobicContact CG-CD2 4.47Å; L199-L208 WeakPolarHBondContact O-CD2 3.31Å; L199-V240 HydrophobicContact CD2-CG2 3.63Å; L199-V240 HydrophobicContact CG-CG2 3.79Å
200C88.2Confident90.1Very high2 Ų245.7 Ų45.71%0.01424%0.244CC..Hα-helixtrans-116.2-16.1-169.673.60000116L196 D197 N203 C206 V240L196-C200 PolarHBondContact O-N 2.88Å; L196-C200 PolarHBondContact O-SG 2.86Å; D197-C200 PolarHBondContact O-N 2.71Å; C200-N203 WeakPolarHBondContact CB-O 3.29Å; C200-N203 PolarHBondContact O-N 2.71Å; C200-C206 PolarHBondContact O-SG 3.35Å; C200-C206 VanDerWaalsContact O-SG 3.33Å; C200-V240 HydrophobicContact CB-CB 4.23Å; C200-V240 HydrophobicContact CB-CG2 3.8Å
201G80.6Confident90.1Very high41 Ų4141.9 Ų41.942%0.42323%0.225SC..THydrogen-bonded Turntrans63.241.1-179.500000112.7R165 D197 N203R165-G201 VanDerWaalsContact NH1-CA 3.3Å; D197-G201 WeakPolarHBondContact O-CA 3.32Å; D197-G201 PolarHBondContact O-N 3.21Å; G201-N203 PolarHBondContact O-N 2.88Å
202G79.3Confident90.2Very high39 Ų3939.2 Ų39.240%0.40221%0.208SC..THydrogen-bonded Turntrans74.7-6.9-175.300000115.7D197D197-G202 PolarHBondContact OD1-N 2.83Å
203N87.1Confident90.4Very high78 Ų7839.5 Ų39.542%0.41721%0.209SC..  trans-113.999.5177.3-179.3-0.2000111C200 G201 D205 C206C200-N203 WeakPolarHBondContact CB-O 3.29Å; C200-N203 PolarHBondContact O-N 2.71Å; G201-N203 PolarHBondContact O-N 2.88Å; N203-D205 PolarHBondContact O-N 2.74Å; N203-D205 WeakPolarHBondContact OD1-CA 3.48Å; N203-D205 PolarHBondContact OD1-N 2.79Å; N203-C206 HydrophobicContact CB-CB 4.27Å; N203-C206 WeakPolarHBondContact O-CB 3.3Å; N203-C206 PolarHBondContact O-N 2.82Å; N203-C206 PolarHBondContact O-SG 2.98Å; N203-C206 PolarHBondContact OD1-N 2.88Å
204I89.3Confident90.5Very high29 Ų2934.5 Ų34.515%0.14918%0.183CC..THydrogen-bonded Turntrans-64.9-18.9179.760.1174.3000114.3F134 V240 S241 L244 T554F134-I204 HydrophobicContact CD1-CG2 4.01Å; F134-I204 HydrophobicContact CE1-CG2 3.14Å; F134-I204 HydrophobicContact CE2-CG2 4.36Å; F134-I204 HydrophobicContact CZ-CG2 3.36Å; I204-V240 HydrophobicContact CB-CB 4.38Å; I204-V240 HydrophobicContact CB-CG1 4.38Å; I204-V240 HydrophobicContact CG2-CG1 4.22Å; I204-V240 WeakPolarHBondContact O-CB 3.26Å; I204-V240 PolarHBondContact O-N 2.69Å; I204-S241 PolarHBondContact O-N 2.95Å; I204-L244 HydrophobicContact CG2-CD1 4.47Å; I204-T554 HydrophobicContact CD1-CG2 3.99Å
205D91.6Very high90.7Very high98 Ų9835.5 Ų35.552%0.52419%0.186SC..THydrogen-bonded Turntrans-93.32.8177.6-62.7-45.8000112.4N203 T239 S241N203-D205 PolarHBondContact O-N 2.74Å; N203-D205 WeakPolarHBondContact OD1-CA 3.48Å; N203-D205 PolarHBondContact OD1-N 2.79Å; D205-T239 WeakPolarHBondContact O-CG2 3.48Å; D205-S241 WeakPolarHBondContact OD1-CB 3.32Å; D205-S241 PolarHBondContact OD1-OG 3.1Å
206C91.8Very high90.7Very high12 Ų1237.5 Ų37.58%0.08120%0.195CC..SBendtrans-61.1145.9171.975.30000111.2C200 N203 L208C200-C206 PolarHBondContact O-SG 3.35Å; C200-C206 VanDerWaalsContact O-SG 3.33Å; N203-C206 HydrophobicContact CB-CB 4.27Å; N203-C206 WeakPolarHBondContact O-CB 3.3Å; N203-C206 PolarHBondContact O-N 2.82Å; N203-C206 PolarHBondContact O-SG 2.98Å; N203-C206 PolarHBondContact OD1-N 2.88Å; C206-L208 PolarHBondContact O-N 3.14Å
207E94.8Very high90Very high62 Ų6239.1 Ų39.129%0.2921%0.211SC..EExtended strand (participates in β ladder)trans-73.4124.7178.4-66.5-165.3115.400111.3R166 Y209 N237R166-E207 HydrophobicContact CB-CB 4.16Å; R166-E207 WeakPolarHBondContact CD-OE2 3.29Å; R166-E207 IonicContact CZ-OE2 3.16Å; R166-E207 PolarHBondContact N-O 2.93Å; R166-E207 IonicContact NE-OE2 3.53Å; R166-E207 PolarHBondContact NE-OE2 2.71Å; R166-E207 IonicContact NH2-OE2 2.7Å; E207-Y209 HydrophobicContact CB-CD2 4.37Å; E207-Y209 HydrophobicContact CB-CE2 3.68Å; E207-Y209 VanDerWaalsContact CD-OH 3.31Å; E207-Y209 PolarHBondContact OE1-OH 3.27Å; E207-Y209 PolarHBondContact OE2-OH 3.28Å; E207-N237 PolarHBondContact OE1-ND2 3.23Å
208L96.4Very high89.2Confident0 Ų041.3 Ų41.30%023%0.234CC..EExtended strand (participates in β ladder)trans-99.7134.3166.1-61.4-173.2000110.2Y164 R165 L199 C206 F210 N237 T238 V240 L243Y164-L208 CarbonylContact O-C 3.53Å; Y164-L208 VanDerWaalsContact O-CA 3.32Å; Y164-L208 WeakPolarHBondContact O-CA 3.17Å; R165-L208 HydrophobicContact CB-CD2 4Å; R165-L208 HydrophobicContact CG-CD2 4.34Å; L199-L208 HydrophobicContact CD1-CD1 3.9Å; L199-L208 HydrophobicContact CD1-CD2 4.25Å; L199-L208 HydrophobicContact CD2-CD1 4.19Å; L199-L208 HydrophobicContact CG-CD1 3.98Å; L199-L208 HydrophobicContact CG-CD2 4.47Å; L199-L208 WeakPolarHBondContact O-CD2 3.31Å; C206-L208 PolarHBondContact O-N 3.14Å; L208-F210 HydrophobicContact CB-CD2 4.42Å; L208-F210 HydrophobicContact CB-CE2 3.91Å; L208-F210 HydrophobicContact CD1-CE2 4.21Å; L208-N237 CarbonylContact O-C 3.54Å; L208-N237 WeakPolarHBondContact O-CA 3.48Å; L208-T238 HydrophobicContact CB-CG2 4.37Å; L208-T238 PolarHBondContact N-O 3.46Å; L208-T238 PolarHBondContact O-N 3.37Å; L208-V240 HydrophobicContact CD1-CG2 3.51Å; L208-V240 HydrophobicContact CG-CG2 4.17Å; L208-L243 HydrophobicContact CD1-CD1 4.25Å
209Y96.2Very high88.3Confident33 Ų3337.8 Ų37.813%0.12923%0.231CC..EExtended strand (participates in β ladder)trans-112.1120.6175.4-71.1-100.7000109.3I163 Y164 R166 L172 E207 N237I163-Y209 WeakPolarHBondContact CA-O 3.36Å; Y164-Y209 PolarHBondContact N-O 2.89Å; Y164-Y209 PolarHBondContact O-N 2.83Å; R166-Y209 HydrophobicContact CB-CE2 4.34Å; R166-Y209 PolarHBondContact NH2-OH 3.18Å; L172-Y209 HydrophobicContact CD2-CD2 3.55Å; L172-Y209 HydrophobicContact CD2-CE2 3.88Å; L172-Y209 HydrophobicContact CD2-CG 4.2Å; E207-Y209 HydrophobicContact CB-CD2 4.37Å; E207-Y209 HydrophobicContact CB-CE2 3.68Å; E207-Y209 VanDerWaalsContact CD-OH 3.31Å; E207-Y209 PolarHBondContact OE1-OH 3.27Å; E207-Y209 PolarHBondContact OE2-OH 3.28Å; Y209-N237 HydrophobicContact CD1-CB 4.1Å; Y209-N237 HydrophobicContact CE1-CB 3.93Å; Y209-N237 HydrophobicContact CG-CB 4.47Å
210F97.8Very high87.2Confident1 Ų139.3 Ų39.30%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-102.5120.3173.6-72.6-106.3000107.8M143 V161 I163 L208 E235 F236 T238 L243 L273 V275M143-F210 HydrophobicContact SD-CD1 3.97Å; M143-F210 HydrophobicContact SD-CE1 3.83Å; V161-F210 HydrophobicContact CG1-CD1 4.1Å; I163-F210 HydrophobicContact CD1-CD1 4.28Å; I163-F210 HydrophobicContact CD1-CE1 3.56Å; I163-F210 HydrophobicContact CD1-CZ 4.04Å; I163-F210 HydrophobicContact CG1-CD1 3.86Å; I163-F210 HydrophobicContact CG1-CE1 3.64Å; I163-F210 HydrophobicContact CG1-CZ 4.22Å; I163-F210 HydrophobicContact CG2-CE1 4.35Å; I163-F210 HydrophobicContact CG2-CE2 4.29Å; I163-F210 HydrophobicContact CG2-CZ 4.09Å; L208-F210 HydrophobicContact CB-CD2 4.42Å; L208-F210 HydrophobicContact CB-CE2 3.91Å; L208-F210 HydrophobicContact CD1-CE2 4.21Å; F210-E235 WeakPolarHBondContact O-CA 3.39Å; F210-E235 WeakPolarHBondContact O-CB 3.29Å; F210-F236 HydrophobicContact CB-CD1 4.05Å; F210-F236 HydrophobicContact CB-CD2 4.37Å; F210-F236 HydrophobicContact CB-CE1 3.48Å; F210-F236 VanDerWaalsContact CB-CE1 3.48Å; F210-F236 HydrophobicContact CB-CE2 3.85Å; F210-F236 HydrophobicContact CB-CG 4.46Å; F210-F236 HydrophobicContact CB-CZ 3.37Å; F210-F236 HydrophobicContact CD1-CZ 4.04Å; F210-F236 HydrophobicContact CD2-CD2 4.43Å; F210-F236 AromaticContact CD2-CE2 3.62Å; F210-F236 HydrophobicContact CD2-CE2 3.62Å; F210-F236 AromaticContact CD2-CZ 3.79Å; F210-F236 HydrophobicContact CD2-CZ 3.79Å; F210-F236 HydrophobicContact CE2-CE2 4.37Å; F210-F236 HydrophobicContact CG-CE1 4.1Å; F210-F236 AromaticContact CG-CE2 3.81Å; F210-F236 HydrophobicContact CG-CE2 3.81Å; F210-F236 AromaticContact CG-CZ 3.47Å; F210-F236 HydrophobicContact CG-CZ 3.47Å; F210-F236 VanDerWaalsContact CG-CZ 3.47Å; F210-F236 PolarHBondContact N-O 2.9Å; F210-F236 PolarHBondContact O-N 3.26Å; F210-F236 VanDerWaalsContact O-N 3.09Å; F210-T238 HydrophobicContact CD2-CG2 4.15Å; F210-T238 HydrophobicContact CE2-CG2 3.76Å; F210-L243 HydrophobicContact CE2-CD1 4.39Å; F210-L243 HydrophobicContact CZ-CD1 4.24Å; F210-L273 HydrophobicContact CB-CD2 4.42Å; F210-L273 HydrophobicContact CD1-CD2 4.22Å; F210-V275 HydrophobicContact CD1-CG2 4.31Å; F210-V275 HydrophobicContact CE1-CG1 4.23Å; F210-V275 HydrophobicContact CE1-CG2 4.07Å; F210-V275 HydrophobicContact CZ-CG1 4.26Å
211R97.3Very high86.1Confident69 Ų6943.1 Ų43.126%0.2627%0.268SS..EExtended strand (participates in β ladder)trans-120.1120.1179.3-64.2-172.8161.7175-6.1109.4V161 I162 Y164 F213 L232 E235V161-R211 CarbonylContact C-O 3.57Å; V161-R211 WeakPolarHBondContact CA-O 3.45Å; I162-R211 PolarHBondContact N-O 2.84Å; I162-R211 PolarHBondContact O-N 3.35Å; Y164-R211 HydrophobicContact CD2-CG 4.41Å; Y164-R211 HydrophobicContact CE2-CB 4.46Å; Y164-R211 HydrophobicContact CE2-CG 4.26Å; R211-F213 HydrophobicContact CB-CD2 4.16Å; R211-F213 HydrophobicContact CB-CE2 3.37Å; R211-F213 HydrophobicContact CB-CZ 3.86Å; R211-F213 HydrophobicContact CG-CE2 4.46Å; R211-L232 HydrophobicContact CB-CD1 4.38Å; R211-E235 HydrophobicContact CB-CB 4.49Å; R211-E235 HydrophobicContact CG-CB 3.89Å; R211-E235 IonicContact CZ-OE2 3.42Å; R211-E235 VanDerWaalsContact CZ-OE2 3.31Å; R211-E235 IonicContact NE-OE2 3.83Å; R211-E235 PolarHBondContact NE-OE2 3.25Å; R211-E235 IonicContact NH2-OE2 3.31Å; R211-E235 PolarHBondContact NH2-OE2 3.25Å; R211-E235 VanDerWaalsContact NH2-OE2 3.16Å
212C97.9Very high85.5Confident1 Ų144 Ų441%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-99.7125.3176.5-169.50000108.9Y160 V161 I233 G234 L255Y160-C212 WeakPolarHBondContact O-CA 3.19Å; V161-C212 HydrophobicContact CG2-CB 4.32Å; C212-I233 HydrophobicContact CB-CB 4.35Å; C212-I233 WeakPolarHBondContact O-CA 3.24Å; C212-I233 WeakPolarHBondContact O-CB 3.26Å; C212-I233 PolarHBondContact O-N 3.14Å; C212-G234 PolarHBondContact N-O 3.04Å; C212-G234 PolarHBondContact O-N 2.94Å; C212-L255 HydrophobicContact CB-CD1 3.97Å; C212-L255 HydrophobicContact CB-CD2 3.84Å
213F95.9Very high84.9Confident16 Ų1648 Ų487%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-119.3153.9-177.3-65.9-88.8000110.4P159 Y160 I162 R211 D230 D231 L232P159-F213 VanDerWaalsContact CA-O 3.25Å; P159-F213 WeakPolarHBondContact CA-O 3.36Å; Y160-F213 HydrophobicContact CD1-CB 4.06Å; Y160-F213 HydrophobicContact CD2-CB 4.46Å; Y160-F213 HydrophobicContact CE1-CB 3.48Å; Y160-F213 VanDerWaalsContact CE1-CB 3.48Å; Y160-F213 HydrophobicContact CE1-CG 4.47Å; Y160-F213 HydrophobicContact CE2-CB 3.9Å; Y160-F213 AromaticContact CE2-CD2 3.85Å; Y160-F213 HydrophobicContact CE2-CD2 3.85Å; Y160-F213 HydrophobicContact CE2-CG 4.17Å; Y160-F213 AromaticContact CZ-CG 3.91Å; Y160-F213 PolarHBondContact N-O 3.12Å; Y160-F213 PolarHBondContact O-N 3.47Å; I162-F213 HydrophobicContact CB-CE2 4.41Å; I162-F213 HydrophobicContact CD1-CD2 4.37Å; I162-F213 HydrophobicContact CD1-CE2 4.07Å; I162-F213 HydrophobicContact CG1-CD2 4.38Å; I162-F213 HydrophobicContact CG1-CE2 4.27Å; R211-F213 HydrophobicContact CB-CD2 4.16Å; R211-F213 HydrophobicContact CB-CE2 3.37Å; R211-F213 HydrophobicContact CB-CZ 3.86Å; R211-F213 HydrophobicContact CG-CE2 4.46Å; F213-D230 HydrophobicContact CB-CB 4.39Å; F213-D230 HydrophobicContact CD1-CB 4.49Å; F213-D231 CarbonylContact C-O 3.6Å; F213-D231 WeakPolarHBondContact CA-O 3.39Å; F213-L232 HydrophobicContact CD1-CB 4.31Å; F213-L232 HydrophobicContact CD1-CD1 4.15Å; F213-L232 HydrophobicContact CE1-CB 4.26Å; F213-L232 HydrophobicContact CE1-CD1 3.85Å; F213-L232 HydrophobicContact CZ-CD1 4.11Å
214D95.1Very high84Confident0 Ų051.1 Ų51.10%029%0.292CS..EExtended strand (participates in β ladder)trans-95.3124.8165.5-170.433.6000109K151 D152 S157 D158 D230 D231 I233K151-D214 HydrophobicContact CB-CB 3.68Å; K151-D214 WeakPolarHBondContact CB-OD2 3.24Å; K151-D214 HydrophobicContact CG-CB 3.97Å; D152-D214 PolarHBondContact N-OD2 3.27Å; S157-D214 VanDerWaalsContact C-OD1 3.32Å; S157-D214 WeakPolarHBondContact CA-OD1 3.07Å; S157-D214 WeakPolarHBondContact CB-OD1 3.48Å; D158-D214 PolarHBondContact N-OD1 3.08Å; D214-D230 VanDerWaalsContact O-CB 3.3Å; D214-D230 WeakPolarHBondContact O-CB 2.99Å; D214-D231 HydrophobicContact CB-CB 4.04Å; D214-D231 PolarHBondContact N-O 3.43Å; D214-D231 PolarHBondContact O-N 3.39Å; D214-D231 VanDerWaalsContact O-N 3.12Å; D214-I233 HydrophobicContact CB-CD1 4.24Å; D214-I233 HydrophobicContact CB-CG1 4.14Å
215W92Very high82.8Confident30 Ų3050.7 Ų50.711%0.11429%0.291CS..  trans-83.3118.1-177.6179.869.6000111.5D158 Y160 V180 G217 G220 D221D158-W215 HydrophobicContact CB-CB 4.12Å; D158-W215 HydrophobicContact CB-CE3 4.5Å; D158-W215 PolarHBondContact O-N 3.32Å; Y160-W215 HydrophobicContact CD1-CB 3.92Å; Y160-W215 HydrophobicContact CE1-CB 3.87Å; V180-W215 HydrophobicContact CG1-CB 3.79Å; V180-W215 HydrophobicContact CG1-CD2 4.19Å; V180-W215 HydrophobicContact CG1-CE3 4.13Å; V180-W215 HydrophobicContact CG1-CG 4.12Å; V180-W215 HydrophobicContact CG2-CB 3.97Å; V180-W215 HydrophobicContact CG2-CD2 4.35Å; V180-W215 HydrophobicContact CG2-CG 3.9Å; W215-G217 VanDerWaalsContact C-N 3.35Å; W215-G217 VanDerWaalsContact CZ2-CA 3.49Å; W215-G217 PolarHBondContact O-N 3.11Å; W215-G220 PolarHBondContact NE1-O 2.96Å; W215-G220 VanDerWaalsContact NE1-O 3.14Å; W215-D221 HydrophobicContact CZ2-CB 3.91Å
216D86.4Confident81.4Confident73 Ų7351.1 Ų51.139%0.3929%0.293SS..  trans-88.30-174.5-73.4-52.7000113.8A218 D230 D231D216-A218 VanDerWaalsContact C-N 3.27Å; D216-A218 PolarHBondContact O-N 2.72Å; D216-D230 PolarHBondContact N-OD1 3.2Å; D216-D231 PolarHBondContact OD2-N 3.32Å
217G74.3Confident80.1Confident33 Ų3351.8 Ų51.834%0.3430%0.297SS..  trans77.5-2.7172.800000116.9W215 V219W215-G217 VanDerWaalsContact C-N 3.35Å; W215-G217 VanDerWaalsContact CZ2-CA 3.49Å; W215-G217 PolarHBondContact O-N 3.11Å; G217-V219 PolarHBondContact O-N 2.89Å
218A67.6Low78.8Confident79 Ų7957.1 Ų57.165%0.65332%0.322SS*.THydrogen-bonded Turntrans-68.3-26.8-166.400000115.5D216 I229D216-A218 VanDerWaalsContact C-N 3.27Å; D216-A218 PolarHBondContact O-N 2.72Å; A218-I229 HydrophobicContact CB-CD1 4.21Å
219V66Low77.8Confident97 Ų9760.7 Ų60.759%0.58834%0.34SS*.THydrogen-bonded Turntrans-129.111.9-171.9-1690000112.9G217 V225 I229G217-V219 PolarHBondContact O-N 2.89Å; V219-V225 HydrophobicContact CB-CG1 3.82Å; V219-V225 HydrophobicContact CG1-CG1 4.06Å; V219-I229 HydrophobicContact CB-CD1 4.06Å; V219-I229 HydrophobicContact CG2-CD1 3.42Å; V219-I229 VanDerWaalsContact CG2-CD1 3.42Å
220G65.9Low77.4Confident33 Ų3359.8 Ų59.834%0.3434%0.337SS..  trans84176-175.100000113.5W215W215-G220 PolarHBondContact NE1-O 2.96Å; W215-G220 VanDerWaalsContact NE1-O 3.14Å
221D65.4Low77.1Confident82 Ų8263 Ų6344%0.43936%0.355SS..SBendtrans-110.765.8-174.5-174.222.2000111R177 V180 W215R177-D221 IonicContact CZ-OD1 3.37Å; R177-D221 IonicContact NH1-OD1 3.04Å; R177-D221 PolarHBondContact NH1-OD1 2.84Å; R177-D221 IonicContact NH2-OD1 2.84Å; R177-D221 PolarHBondContact NH2-OD1 2.79Å; V180-D221 VanDerWaalsContact CG2-OD1 3.24Å; V180-D221 WeakPolarHBondContact CG2-OD1 3.38Å; W215-D221 HydrophobicContact CZ2-CB 3.91Å
222S68.1Low77Confident60 Ų6061.5 Ų61.542%0.4235%0.352SS..  trans-108.7150.1173.1172.50000110.6D224 V225S222-D224 PolarHBondContact O-N 3.48Å; S222-D224 VanDerWaalsContact O-N 3.17Å; S222-V225 WeakPolarHBondContact O-CG2 3.35Å; S222-V225 PolarHBondContact O-N 2.95Å
223E66Low77Confident122 Ų12261.5 Ų61.557%0.5735%0.352SS*.THydrogen-bonded Turntrans-62.3-19.9179.3-69.7-176.1-176.300114.2K174K174-E223 PolarHBondContact NZ-O 3.19Å
224D67.8Low77.1Confident143 Ų14360.7 Ų60.777%0.76535%0.348SS*.THydrogen-bonded Turntrans-95.1-0.1-177.4-66.3-38.9000114.1S222S222-D224 PolarHBondContact O-N 3.48Å; S222-D224 VanDerWaalsContact O-N 3.17Å
225V65.1Low77.2Confident21 Ų2162.7 Ų62.713%0.12736%0.358CS..SBendtrans-68.7139.3-179179.10000110.7V219 S222 T227 I229V219-V225 HydrophobicContact CB-CG1 3.82Å; V219-V225 HydrophobicContact CG1-CG1 4.06Å; S222-V225 WeakPolarHBondContact O-CG2 3.35Å; S222-V225 PolarHBondContact O-N 2.95Å; V225-T227 PolarHBondContact O-N 2.84Å; V225-I229 HydrophobicContact CG1-CD1 4.45Å
226D61.9Low77.5Confident106 Ų10662.2 Ų62.257%0.56736%0.356SS*.  trans-67.7120.8175.5-159-12000110.3E228D226-E228 VanDerWaalsContact C-N 3.28Å; D226-E228 PolarHBondContact O-N 2.92Å
227T64Low78Confident27 Ų2762.5 Ų62.517%0.16636%0.358CS..G310 helixtrans-83.5-4.9-172.355.50000112.9Y160 I162 V225 I229 D230Y160-T227 HydrophobicContact CE2-CG2 4.38Å; I162-T227 HydrophobicContact CD1-CG2 3.26Å; V225-T227 PolarHBondContact O-N 2.84Å; T227-I229 PolarHBondContact O-N 3.38Å; T227-I229 VanDerWaalsContact O-N 3.15Å; T227-D230 PolarHBondContact O-N 3.4Å; T227-D230 VanDerWaalsContact O-N 3.17Å
228E67.5Low79.1Confident173 Ų17361.3 Ų61.381%0.80834%0.344SS*.G310 helixtrans-64.6-14.9-178.4-70.4-167.6171.100113.7D226D226-E228 VanDerWaalsContact C-N 3.28Å; D226-E228 PolarHBondContact O-N 2.92Å
229I76.2Confident80.5Confident76 Ų7659.2 Ų59.239%0.3932%0.323SS..G310 helixtrans-86.6-21.3176.862.5-174.8000113.9A218 V219 V225 T227A218-I229 HydrophobicContact CB-CD1 4.21Å; V219-I229 HydrophobicContact CB-CD1 4.06Å; V219-I229 HydrophobicContact CG2-CD1 3.42Å; V219-I229 VanDerWaalsContact CG2-CD1 3.42Å; V225-I229 HydrophobicContact CG1-CD1 4.45Å; T227-I229 PolarHBondContact O-N 3.38Å; T227-I229 VanDerWaalsContact O-N 3.15Å
230D87.5Confident81.8Confident13 Ų1354.6 Ų54.67%0.0730%0.295CS..SBendtrans-90.7146.4-171.7-76-21000111.6Y160 F213 D214 D216 T227 L232Y160-D230 HydrophobicContact CE1-CB 4.29Å; Y160-D230 VanDerWaalsContact CE1-OD2 3.24Å; Y160-D230 WeakPolarHBondContact CE1-OD2 3.29Å; Y160-D230 VanDerWaalsContact CZ-OD2 3.24Å; Y160-D230 WeakPolarHBondContact OH-CB 3.5Å; Y160-D230 PolarHBondContact OH-OD2 3.28Å; F213-D230 HydrophobicContact CB-CB 4.39Å; F213-D230 HydrophobicContact CD1-CB 4.49Å; D214-D230 VanDerWaalsContact O-CB 3.3Å; D214-D230 WeakPolarHBondContact O-CB 2.99Å; D216-D230 PolarHBondContact N-OD1 3.2Å; T227-D230 PolarHBondContact O-N 3.4Å; T227-D230 VanDerWaalsContact O-N 3.17Å; D230-L232 PolarHBondContact O-N 3.15Å
231D92.2Very high83.1Confident70 Ų7054.1 Ų54.137%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-80.1115.7-170.3-127.213.5000112.7K151 F213 D214 D216 I233K151-D231 HydrophobicContact CB-CB 4.49Å; K151-D231 IonicContact NZ-OD2 3.86Å; K151-D231 PolarHBondContact NZ-OD2 3.36Å; F213-D231 CarbonylContact C-O 3.6Å; F213-D231 WeakPolarHBondContact CA-O 3.39Å; D214-D231 HydrophobicContact CB-CB 4.04Å; D214-D231 PolarHBondContact N-O 3.43Å; D214-D231 PolarHBondContact O-N 3.39Å; D214-D231 VanDerWaalsContact O-N 3.12Å; D216-D231 PolarHBondContact OD2-N 3.32Å; D231-I233 PolarHBondContact O-N 2.91Å; D231-I233 VanDerWaalsContact O-N 3.09Å
232L94.8Very high84.6Confident37 Ų3756.3 Ų56.319%0.19429%0.289CS..EExtended strand (participates in β ladder)trans-63.3116.2178.5-179.171.1000111.4K151 R211 F213 D230 N257K151-L232 WeakPolarHBondContact CE-O 3.43Å; K151-L232 PolarHBondContact NZ-O 3.02Å; R211-L232 HydrophobicContact CB-CD1 4.38Å; F213-L232 HydrophobicContact CD1-CB 4.31Å; F213-L232 HydrophobicContact CD1-CD1 4.15Å; F213-L232 HydrophobicContact CE1-CB 4.26Å; F213-L232 HydrophobicContact CE1-CD1 3.85Å; F213-L232 HydrophobicContact CZ-CD1 4.11Å; D230-L232 PolarHBondContact O-N 3.15Å; L232-N257 PolarHBondContact O-ND2 2.81Å
233I97.1Very high85.9Confident0 Ų053.5 Ų53.50%027%0.269CS..EExtended strand (participates in β ladder)trans-71.5-53.9169.9-64.9174.2000108.9L148 D149 K151 P159 C212 D214 D231 L255 N257 S270L148-I233 HydrophobicContact CB-CG2 4.44Å; L148-I233 HydrophobicContact CD1-CD1 4.32Å; D149-I233 HydrophobicContact CB-CG2 4.38Å; K151-I233 HydrophobicContact CG-CG1 3.97Å; P159-I233 HydrophobicContact CB-CD1 4.02Å; C212-I233 HydrophobicContact CB-CB 4.35Å; C212-I233 WeakPolarHBondContact O-CA 3.24Å; C212-I233 WeakPolarHBondContact O-CB 3.26Å; C212-I233 PolarHBondContact O-N 3.14Å; D214-I233 HydrophobicContact CB-CD1 4.24Å; D214-I233 HydrophobicContact CB-CG1 4.14Å; D231-I233 PolarHBondContact O-N 2.91Å; D231-I233 VanDerWaalsContact O-N 3.09Å; I233-L255 HydrophobicContact CG2-CD1 4.44Å; I233-N257 WeakPolarHBondContact O-CB 3.16Å; I233-S270 WeakPolarHBondContact CG2-O 3.45Å; I233-S270 WeakPolarHBondContact O-CB 3.29Å; I233-S270 PolarHBondContact O-OG 2.75Å
234G98Very high87.2Confident0 Ų047.9 Ų47.90%024%0.243CC..EExtended strand (participates in β ladder)trans174.5174.5175.500000112.7C212 I256C212-G234 PolarHBondContact N-O 3.04Å; C212-G234 PolarHBondContact O-N 2.94Å; G234-I256 WeakPolarHBondContact CA-O 3.21Å
235E97.8Very high88.4Confident42 Ų4245.5 Ų45.520%0.19623%0.23CC..EExtended strand (participates in β ladder)trans-144.1162.4-176.260.9179-166.200112.3F210 R211 I256F210-E235 WeakPolarHBondContact O-CA 3.39Å; F210-E235 WeakPolarHBondContact O-CB 3.29Å; R211-E235 HydrophobicContact CB-CB 4.49Å; R211-E235 HydrophobicContact CG-CB 3.89Å; R211-E235 IonicContact CZ-OE2 3.42Å; R211-E235 VanDerWaalsContact CZ-OE2 3.31Å; R211-E235 IonicContact NE-OE2 3.83Å; R211-E235 PolarHBondContact NE-OE2 3.25Å; R211-E235 IonicContact NH2-OE2 3.31Å; R211-E235 PolarHBondContact NH2-OE2 3.25Å; R211-E235 VanDerWaalsContact NH2-OE2 3.16Å; E235-I256 PolarHBondContact N-O 3.03Å; E235-I256 PolarHBondContact O-N 2.86Å
236F98.3Very high89.8Confident19 Ų1945.8 Ų45.88%0.08323%0.233CC..EExtended strand (participates in β ladder)trans-150.1165.1166.765.5-88.6000110.2F210 T238 F253 L255 L273 V275F210-F236 HydrophobicContact CB-CD1 4.05Å; F210-F236 HydrophobicContact CB-CD2 4.37Å; F210-F236 HydrophobicContact CB-CE1 3.48Å; F210-F236 VanDerWaalsContact CB-CE1 3.48Å; F210-F236 HydrophobicContact CB-CE2 3.85Å; F210-F236 HydrophobicContact CB-CG 4.46Å; F210-F236 HydrophobicContact CB-CZ 3.37Å; F210-F236 HydrophobicContact CD1-CZ 4.04Å; F210-F236 HydrophobicContact CD2-CD2 4.43Å; F210-F236 AromaticContact CD2-CE2 3.62Å; F210-F236 HydrophobicContact CD2-CE2 3.62Å; F210-F236 AromaticContact CD2-CZ 3.79Å; F210-F236 HydrophobicContact CD2-CZ 3.79Å; F210-F236 HydrophobicContact CE2-CE2 4.37Å; F210-F236 HydrophobicContact CG-CE1 4.1Å; F210-F236 AromaticContact CG-CE2 3.81Å; F210-F236 HydrophobicContact CG-CE2 3.81Å; F210-F236 AromaticContact CG-CZ 3.47Å; F210-F236 HydrophobicContact CG-CZ 3.47Å; F210-F236 VanDerWaalsContact CG-CZ 3.47Å; F210-F236 PolarHBondContact N-O 2.9Å; F210-F236 PolarHBondContact O-N 3.26Å; F210-F236 VanDerWaalsContact O-N 3.09Å; F236-T238 HydrophobicContact CE2-CG2 4.11Å; F236-F253 HydrophobicContact CD1-CB 3.62Å; F236-F253 HydrophobicContact CD1-CG 4.26Å; F236-F253 HydrophobicContact CD2-CB 3.79Å; F236-F253 AromaticContact CD2-CD1 3.48Å; F236-F253 HydrophobicContact CD2-CD1 3.48Å; F236-F253 VanDerWaalsContact CD2-CD1 3.48Å; F236-F253 HydrophobicContact CD2-CD2 4.15Å; F236-F253 HydrophobicContact CD2-CE1 4.02Å; F236-F253 AromaticContact CD2-CG 3.55Å; F236-F253 HydrophobicContact CD2-CG 3.55Å; F236-F253 HydrophobicContact CE1-CB 3.62Å; F236-F253 HydrophobicContact CE1-CD2 4.31Å; F236-F253 HydrophobicContact CE1-CG 4.09Å; F236-F253 HydrophobicContact CE2-CB 3.8Å; F236-F253 AromaticContact CE2-CD1 3.63Å; F236-F253 HydrophobicContact CE2-CD1 3.63Å; F236-F253 AromaticContact CE2-CD2 3.45Å; F236-F253 HydrophobicContact CE2-CD2 3.45Å; F236-F253 VanDerWaalsContact CE2-CD2 3.45Å; F236-F253 AromaticContact CE2-CE1 3.98Å; F236-F253 HydrophobicContact CE2-CE1 3.98Å; F236-F253 AromaticContact CE2-CE2 3.81Å; F236-F253 HydrophobicContact CE2-CE2 3.81Å; F236-F253 AromaticContact CE2-CG 3.34Å; F236-F253 HydrophobicContact CE2-CG 3.34Å; F236-F253 HydrophobicContact CE2-CZ 4.07Å; F236-F253 HydrophobicContact CG-CB 3.71Å; F236-F253 HydrophobicContact CG-CD1 4.12Å; F236-F253 HydrophobicContact CG-CG 4.02Å; F236-F253 HydrophobicContact CZ-CB 3.71Å; F236-F253 HydrophobicContact CZ-CD1 4.37Å; F236-F253 AromaticContact CZ-CD2 3.54Å; F236-F253 HydrophobicContact CZ-CD2 3.54Å; F236-F253 HydrophobicContact CZ-CE2 4.21Å; F236-F253 AromaticContact CZ-CG 3.63Å; F236-F253 HydrophobicContact CZ-CG 3.63Å; F236-L255 HydrophobicContact CD1-CD2 4.01Å; F236-L255 HydrophobicContact CE1-CD2 4.23Å; F236-L273 HydrophobicContact CE1-CB 3.95Å; F236-L273 HydrophobicContact CE1-CD2 3.56Å; F236-L273 HydrophobicContact CE1-CG 4.29Å; F236-L273 HydrophobicContact CZ-CD2 3.92Å; F236-V275 HydrophobicContact CZ-CG2 3.98Å
237N97.2Very high91.1Very high80 Ų8045.7 Ų45.743%0.42823%0.232SC..EExtended strand (participates in β ladder)trans-116150.8169.966.1-45000111.8E207 L208 Y209E207-N237 PolarHBondContact OE1-ND2 3.23Å; L208-N237 CarbonylContact O-C 3.54Å; L208-N237 WeakPolarHBondContact O-CA 3.48Å; Y209-N237 HydrophobicContact CD1-CB 4.1Å; Y209-N237 HydrophobicContact CE1-CB 3.93Å; Y209-N237 HydrophobicContact CG-CB 4.47Å
238T97.3Very high92.3Very high7 Ų751.6 Ų51.64%0.04326%0.258CS..EExtended strand (participates in β ladder)trans-153-176.4174.6-170.80000109.1L208 F210 F236 R242 L243 F253L208-T238 HydrophobicContact CB-CG2 4.37Å; L208-T238 PolarHBondContact N-O 3.46Å; L208-T238 PolarHBondContact O-N 3.37Å; F210-T238 HydrophobicContact CD2-CG2 4.15Å; F210-T238 HydrophobicContact CE2-CG2 3.76Å; F236-T238 HydrophobicContact CE2-CG2 4.11Å; T238-R242 WeakPolarHBondContact OG1-CD 3.47Å; T238-L243 HydrophobicContact CG2-CD1 3.99Å; T238-L243 HydrophobicContact CG2-CD2 4.31Å; T238-L243 HydrophobicContact CG2-CG 4.09Å; T238-F253 HydrophobicContact CG2-CZ 4.16Å
239T95.6Very high93.5Very high35 Ų3549 Ų4922%0.21525%0.249CC..EExtended strand (participates in β ladder)trans-120.8162.2170.664.40000110.5D205 S241 R242 L243D205-T239 WeakPolarHBondContact O-CG2 3.48Å; T239-S241 VanDerWaalsContact C-N 3.31Å; T239-R242 PolarHBondContact O-N 3.17Å; T239-R242 PolarHBondContact OG1-N 2.58Å; T239-R242 VanDerWaalsContact OG1-N 3.14Å; T239-L243 WeakPolarHBondContact O-CG 3.22Å; T239-L243 PolarHBondContact O-N 3.01Å
240V93.3Very high94.4Very high0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-64-40.61721700000110.4L196 L199 C200 I204 L208 R242 L243 L244L196-V240 HydrophobicContact CD1-CG1 3.71Å; L199-V240 HydrophobicContact CD2-CG2 3.63Å; L199-V240 HydrophobicContact CG-CG2 3.79Å; C200-V240 HydrophobicContact CB-CB 4.23Å; C200-V240 HydrophobicContact CB-CG2 3.8Å; I204-V240 HydrophobicContact CB-CB 4.38Å; I204-V240 HydrophobicContact CB-CG1 4.38Å; I204-V240 HydrophobicContact CG2-CG1 4.22Å; I204-V240 WeakPolarHBondContact O-CB 3.26Å; I204-V240 PolarHBondContact O-N 2.69Å; L208-V240 HydrophobicContact CD1-CG2 3.51Å; L208-V240 HydrophobicContact CG-CG2 4.17Å; V240-R242 VanDerWaalsContact C-N 3.29Å; V240-R242 PolarHBondContact O-N 2.89Å; V240-L243 PolarHBondContact O-N 2.9Å; V240-L244 HydrophobicContact CG1-CD1 3.63Å; V240-L244 HydrophobicContact CG1-CG 3.85Å; V240-L244 WeakPolarHBondContact O-CG 3.49Å; V240-L244 PolarHBondContact O-N 2.92Å
241S94.2Very high94.9Very high23 Ų2346.8 Ų46.816%0.16124%0.242CC..Hα-helixtrans-52.4-45.2174.9178.20000112.4I204 D205 T239 L243 N245I204-S241 PolarHBondContact O-N 2.95Å; D205-S241 WeakPolarHBondContact OD1-CB 3.32Å; D205-S241 PolarHBondContact OD1-OG 3.1Å; T239-S241 VanDerWaalsContact C-N 3.31Å; S241-L243 PolarHBondContact O-N 2.78Å; S241-N245 PolarHBondContact O-N 3.44Å; S241-N245 PolarHBondContact O-ND2 3.26Å
242R96.1Very high95.2Very high129 Ų12949 Ų4949%0.48725%0.25SC..Hα-helixtrans-65.1-40.2175.9-178.4172.2176.2-170.6-0.5112.5T238 T239 V240 I251T238-R242 WeakPolarHBondContact OG1-CD 3.47Å; T239-R242 PolarHBondContact O-N 3.17Å; T239-R242 PolarHBondContact OG1-N 2.58Å; T239-R242 VanDerWaalsContact OG1-N 3.14Å; V240-R242 VanDerWaalsContact C-N 3.29Å; V240-R242 PolarHBondContact O-N 2.89Å; R242-I251 HydrophobicContact CG-CD1 3.82Å; R242-I251 WeakPolarHBondContact O-CD1 3.46Å
243L95.8Very high95.4Very high1 Ų147.9 Ų47.91%0.00524%0.243CC..Hα-helixtrans-70.9-37.3-179.9-66.6173.4000112.5L208 F210 T238 T239 V240 S241 N245 S246 I251 F253 V275 L277L208-L243 HydrophobicContact CD1-CD1 4.25Å; F210-L243 HydrophobicContact CE2-CD1 4.39Å; F210-L243 HydrophobicContact CZ-CD1 4.24Å; T238-L243 HydrophobicContact CG2-CD1 3.99Å; T238-L243 HydrophobicContact CG2-CD2 4.31Å; T238-L243 HydrophobicContact CG2-CG 4.09Å; T239-L243 WeakPolarHBondContact O-CG 3.22Å; T239-L243 PolarHBondContact O-N 3.01Å; V240-L243 PolarHBondContact O-N 2.9Å; S241-L243 PolarHBondContact O-N 2.78Å; L243-N245 VanDerWaalsContact C-N 3.28Å; L243-N245 PolarHBondContact O-N 2.94Å; L243-S246 VanDerWaalsContact O-CB 3.25Å; L243-S246 WeakPolarHBondContact O-CB 3.36Å; L243-S246 PolarHBondContact O-N 3.01Å; L243-S246 VanDerWaalsContact O-N 3.15Å; L243-S246 PolarHBondContact O-OG 2.76Å; L243-I251 HydrophobicContact CD2-CD1 4.45Å; L243-F253 HydrophobicContact CD2-CE2 3.95Å; L243-F253 HydrophobicContact CD2-CZ 4.08Å; L243-V275 HydrophobicContact CD1-CG1 4.33Å; L243-V275 HydrophobicContact CD2-CB 4.06Å; L243-V275 HydrophobicContact CD2-CG1 3.88Å; L243-L277 HydrophobicContact CB-CD1 3.51Å; L243-L277 HydrophobicContact CB-CG 3.98Å; L243-L277 HydrophobicContact CD1-CD1 4.49Å
244L93.5Very high95.5Very high3 Ų353.1 Ų53.12%0.01627%0.268CS..Hα-helixtrans-65.4-30.4177.4-71.2174.4000112.7I204 V240 S246 L277 L550 S551 L553 T554I204-L244 HydrophobicContact CG2-CD1 4.47Å; V240-L244 HydrophobicContact CG1-CD1 3.63Å; V240-L244 HydrophobicContact CG1-CG 3.85Å; V240-L244 WeakPolarHBondContact O-CG 3.49Å; V240-L244 PolarHBondContact O-N 2.92Å; L244-S246 VanDerWaalsContact C-N 3.26Å; L244-S246 PolarHBondContact O-N 2.83Å; L244-L277 HydrophobicContact CD2-CD1 4.07Å; L244-L277 HydrophobicContact CG-CD1 4.45Å; L244-L550 HydrophobicContact CD2-CB 3.85Å; L244-L550 HydrophobicContact CD2-CD1 4.34Å; L244-L550 HydrophobicContact CD2-CD2 3.74Å; L244-L550 HydrophobicContact CD2-CG 4.19Å; L244-S551 PolarHBondContact O-N 3.01Å; L244-L553 HydrophobicContact CD1-CB 4.17Å; L244-L553 HydrophobicContact CD2-CD1 4.42Å; L244-T554 HydrophobicContact CB-CG2 3.78Å; L244-T554 HydrophobicContact CD1-CG2 3.85Å; L244-T554 HydrophobicContact CG-CG2 4.48Å
245N94.1Very high95.5Very high94 Ų9453.1 Ų53.150%0.50327%0.268SS..THydrogen-bonded Turntrans-82.43.3174.9-76.9-62000114.2S241 L243 T554S241-N245 PolarHBondContact O-N 3.44Å; S241-N245 PolarHBondContact O-ND2 3.26Å; L243-N245 VanDerWaalsContact C-N 3.28Å; L243-N245 PolarHBondContact O-N 2.94Å; N245-T554 VanDerWaalsContact CG-OG1 3.31Å; N245-T554 WeakPolarHBondContact ND2-CB 3.37Å; N245-T554 PolarHBondContact ND2-OG1 3.21Å; N245-T554 VanDerWaalsContact ND2-OG1 3.15Å; N245-T554 PolarHBondContact OD1-OG1 2.83Å
246S92.9Very high95.5Very high27 Ų2752.6 Ų52.619%0.18927%0.266CS..  trans-69.8151.9178.868.70000112L243 L244L243-S246 VanDerWaalsContact O-CB 3.25Å; L243-S246 WeakPolarHBondContact O-CB 3.36Å; L243-S246 PolarHBondContact O-N 3.01Å; L243-S246 VanDerWaalsContact O-N 3.15Å; L243-S246 PolarHBondContact O-OG 2.76Å; L244-S246 VanDerWaalsContact C-N 3.26Å; L244-S246 PolarHBondContact O-N 2.83Å
247N90.3Very high95.5Very high103 Ų10352.2 Ų52.255%0.55127%0.265SS*.  trans-76.5-179.9171.566.633.2000110.8N249 G250N247-N249 PolarHBondContact O-N 3.5Å; N247-N249 WeakPolarHBondContact OD1-CA 3.19Å; N247-N249 WeakPolarHBondContact OD1-CB 3.33Å; N247-N249 PolarHBondContact OD1-N 3.05Å; N247-G250 PolarHBondContact O-N 2.87Å
248E88.9Confident95.4Very high152 Ų15252.6 Ų52.671%0.7127%0.265SS*.THydrogen-bonded Turntrans-58.8-14.5-179.765.2-174.9178.600115.2K276E248-K276 VanDerWaalsContact O-CD 3.29Å; E248-K276 WeakPolarHBondContact O-CD 3.07Å; E248-K276 WeakPolarHBondContact O-CE 3.44Å; E248-K276 PolarHBondContact O-NZ 3.39Å
249N93Very high95.2Very high117 Ų11756.5 Ų56.563%0.62629%0.291SS*.THydrogen-bonded Turntrans-93.4-5.1176.8-62.5-42.6000113.1N247N247-N249 PolarHBondContact O-N 3.5Å; N247-N249 WeakPolarHBondContact OD1-CA 3.19Å; N247-N249 WeakPolarHBondContact OD1-CB 3.33Å; N247-N249 PolarHBondContact OD1-N 3.05Å
250G95.6Very high95.2Very high13 Ų1356.4 Ų56.413%0.13429%0.287CS..  trans75.1-161.5-17500000113.1N247 V275N247-G250 PolarHBondContact O-N 2.87Å; G250-V275 CarbonylContact C-O 3.56Å; G250-V275 VanDerWaalsContact CA-O 3.27Å; G250-V275 WeakPolarHBondContact CA-O 3.48Å
251I97.8Very high95.2Very high31 Ų3161.9 Ų61.916%0.15931%0.311CS..EExtended strand (participates in β ladder)trans-123129.1179.2-54.9179.5000109.2R242 L243 F253 T274 V275R242-I251 HydrophobicContact CG-CD1 3.82Å; R242-I251 WeakPolarHBondContact O-CD1 3.46Å; L243-I251 HydrophobicContact CD2-CD1 4.45Å; I251-F253 HydrophobicContact CB-CD2 4.33Å; I251-F253 HydrophobicContact CB-CE2 3.6Å; I251-F253 HydrophobicContact CB-CZ 3.9Å; I251-F253 HydrophobicContact CD1-CZ 4.38Å; I251-F253 HydrophobicContact CG2-CD1 4.46Å; I251-F253 HydrophobicContact CG2-CD2 4.05Å; I251-F253 HydrophobicContact CG2-CE1 3.99Å; I251-F253 HydrophobicContact CG2-CE2 3.53Å; I251-F253 HydrophobicContact CG2-CG 4.5Å; I251-F253 HydrophobicContact CG2-CZ 3.49Å; I251-F253 VanDerWaalsContact CG2-CZ 3.49Å; I251-F253 WeakPolarHBondContact O-CD2 3.37Å; I251-T274 CarbonylContact O-C 3.56Å; I251-T274 WeakPolarHBondContact O-CA 3.12Å; I251-V275 PolarHBondContact N-O 3.19Å; I251-V275 PolarHBondContact O-N 3.15Å
252E98.1Very high95.2Very high116 Ų11669.1 Ų69.154%0.54234%0.34SS..EExtended strand (participates in β ladder)trans-87.4127.3171.5-170.8179.982.200110.6L272E252-L272 HydrophobicContact CG-CB 3.96Å; E252-L272 HydrophobicContact CG-CD1 4.49Å; E252-L272 HydrophobicContact CG-CD2 4.29Å; E252-L272 HydrophobicContact CG-CG 4.46Å
253F98.5Very high95.2Very high13 Ų1372.6 Ų72.66%0.05735%0.353CS..EExtended strand (participates in β ladder)trans-116.2142.4177.9-63.9-89.2000110.8F236 T238 L243 I251 L272 L273 V275F236-F253 HydrophobicContact CD1-CB 3.62Å; F236-F253 HydrophobicContact CD1-CG 4.26Å; F236-F253 HydrophobicContact CD2-CB 3.79Å; F236-F253 AromaticContact CD2-CD1 3.48Å; F236-F253 HydrophobicContact CD2-CD1 3.48Å; F236-F253 VanDerWaalsContact CD2-CD1 3.48Å; F236-F253 HydrophobicContact CD2-CD2 4.15Å; F236-F253 HydrophobicContact CD2-CE1 4.02Å; F236-F253 AromaticContact CD2-CG 3.55Å; F236-F253 HydrophobicContact CD2-CG 3.55Å; F236-F253 HydrophobicContact CE1-CB 3.62Å; F236-F253 HydrophobicContact CE1-CD2 4.31Å; F236-F253 HydrophobicContact CE1-CG 4.09Å; F236-F253 HydrophobicContact CE2-CB 3.8Å; F236-F253 AromaticContact CE2-CD1 3.63Å; F236-F253 HydrophobicContact CE2-CD1 3.63Å; F236-F253 AromaticContact CE2-CD2 3.45Å; F236-F253 HydrophobicContact CE2-CD2 3.45Å; F236-F253 VanDerWaalsContact CE2-CD2 3.45Å; F236-F253 AromaticContact CE2-CE1 3.98Å; F236-F253 HydrophobicContact CE2-CE1 3.98Å; F236-F253 AromaticContact CE2-CE2 3.81Å; F236-F253 HydrophobicContact CE2-CE2 3.81Å; F236-F253 AromaticContact CE2-CG 3.34Å; F236-F253 HydrophobicContact CE2-CG 3.34Å; F236-F253 HydrophobicContact CE2-CZ 4.07Å; F236-F253 HydrophobicContact CG-CB 3.71Å; F236-F253 HydrophobicContact CG-CD1 4.12Å; F236-F253 HydrophobicContact CG-CG 4.02Å; F236-F253 HydrophobicContact CZ-CB 3.71Å; F236-F253 HydrophobicContact CZ-CD1 4.37Å; F236-F253 AromaticContact CZ-CD2 3.54Å; F236-F253 HydrophobicContact CZ-CD2 3.54Å; F236-F253 HydrophobicContact CZ-CE2 4.21Å; F236-F253 AromaticContact CZ-CG 3.63Å; F236-F253 HydrophobicContact CZ-CG 3.63Å; T238-F253 HydrophobicContact CG2-CZ 4.16Å; L243-F253 HydrophobicContact CD2-CE2 3.95Å; L243-F253 HydrophobicContact CD2-CZ 4.08Å; I251-F253 HydrophobicContact CB-CD2 4.33Å; I251-F253 HydrophobicContact CB-CE2 3.6Å; I251-F253 HydrophobicContact CB-CZ 3.9Å; I251-F253 HydrophobicContact CD1-CZ 4.38Å; I251-F253 HydrophobicContact CG2-CD1 4.46Å; I251-F253 HydrophobicContact CG2-CD2 4.05Å; I251-F253 HydrophobicContact CG2-CE1 3.99Å; I251-F253 HydrophobicContact CG2-CE2 3.53Å; I251-F253 HydrophobicContact CG2-CG 4.5Å; I251-F253 HydrophobicContact CG2-CZ 3.49Å; I251-F253 VanDerWaalsContact CG2-CZ 3.49Å; I251-F253 WeakPolarHBondContact O-CD2 3.37Å; F253-L272 CarbonylContact O-C 3.55Å; F253-L272 WeakPolarHBondContact O-CA 3.49Å; F253-L273 PolarHBondContact N-O 2.97Å; F253-L273 PolarHBondContact O-N 2.58Å; F253-V275 HydrophobicContact CD2-CG2 4.17Å; F253-V275 HydrophobicContact CE2-CB 4.29Å; F253-V275 HydrophobicContact CE2-CG2 4.27Å
254Q98.6Very high95Very high110 Ų11077.8 Ų77.851%0.51438%0.375SS..EExtended strand (participates in β ladder)trans-79.5127.1170.8-65.6-178.67.700110I256 N269 L272Q254-I256 HydrophobicContact CB-CD1 4.13Å; Q254-I256 PolarHBondContact O-N 2.84Å; Q254-N269 HydrophobicContact CB-CB 4.03Å; Q254-N269 HydrophobicContact CG-CB 4.43Å; Q254-L272 HydrophobicContact CG-CD2 3.85Å
255L98.7Very high94.8Very high0 Ų088 Ų880%042%0.419CS..  trans-78.8117.7172.4-70.2166.9000109.3L148 C212 I233 F236 Y267 S270 G271 L273L148-L255 HydrophobicContact CD2-CD1 3.46Å; L148-L255 VanDerWaalsContact CD2-CD1 3.46Å; C212-L255 HydrophobicContact CB-CD1 3.97Å; C212-L255 HydrophobicContact CB-CD2 3.84Å; I233-L255 HydrophobicContact CG2-CD1 4.44Å; F236-L255 HydrophobicContact CD1-CD2 4.01Å; F236-L255 HydrophobicContact CE1-CD2 4.23Å; L255-Y267 PolarHBondContact O-OH 3.27Å; L255-S270 PolarHBondContact O-N 3.41Å; L255-G271 PolarHBondContact N-O 3.26Å; L255-L273 HydrophobicContact CD1-CB 4.28Å; L255-L273 HydrophobicContact CD2-CB 4.23Å; L255-L273 HydrophobicContact CG-CB 4.17Å
256I98.4Very high94.7Very high31 Ų3189.4 Ų89.416%0.15944%0.436CS..BIsolated β-bridgetrans-107.8121.2-178.2-56.2-56.5000110.1G234 E235 Q254 M258 K261 Y267 N269G234-I256 WeakPolarHBondContact CA-O 3.21Å; E235-I256 PolarHBondContact N-O 3.03Å; E235-I256 PolarHBondContact O-N 2.86Å; Q254-I256 HydrophobicContact CB-CD1 4.13Å; Q254-I256 PolarHBondContact O-N 2.84Å; I256-M258 HydrophobicContact CG2-CG 4.44Å; I256-M258 HydrophobicContact CG2-SD 3.91Å; I256-K261 HydrophobicContact CG2-CD 3.95Å; I256-Y267 HydrophobicContact CD1-CE1 4.45Å; I256-Y267 HydrophobicContact CG2-CE1 4.34Å; I256-N269 HydrophobicContact CD1-CB 4.2Å
257N97.5Very high94.9Very high12 Ų1289.7 Ų89.76%0.06443%0.433CS..  trans-94.9102.3168.7-176.5-55.4000109L232 I233 P259 K260 K261 Y267 S270L232-N257 PolarHBondContact O-ND2 2.81Å; I233-N257 WeakPolarHBondContact O-CB 3.16Å; N257-P259 VanDerWaalsContact OD1-CD 3.22Å; N257-P259 WeakPolarHBondContact OD1-CD 3.4Å; N257-K260 HydrophobicContact CB-CB 3.86Å; N257-K260 PolarHBondContact O-N 3.28Å; N257-K260 VanDerWaalsContact OD1-CB 3.3Å; N257-K260 WeakPolarHBondContact OD1-CB 3.28Å; N257-K260 PolarHBondContact OD1-N 3.27Å; N257-K261 WeakPolarHBondContact O-CB 3.31Å; N257-K261 PolarHBondContact O-N 2.88Å; N257-Y267 PolarHBondContact N-OH 2.88Å; N257-S270 WeakPolarHBondContact CB-OG 3.42Å
258M95.1Very high95.1Very high87 Ų8792.3 Ų92.343%0.42944%0.441SS..Hα-helixtrans-59.8-43.7-175.8-70.9-64.6-80.300113.7I256 K260 K261 K262I256-M258 HydrophobicContact CG2-CG 4.44Å; I256-M258 HydrophobicContact CG2-SD 3.91Å; M258-K260 PolarHBondContact O-N 2.92Å; M258-K261 PolarHBondContact O-N 3.5Å; M258-K261 HydrophobicContact SD-CD 4.39Å; M258-K262 WeakPolarHBondContact O-CG 3.28Å; M258-K262 PolarHBondContact O-N 3.43Å; M258-K262 VanDerWaalsContact O-N 3.1Å
259P93.6Very high95.5Very high90 Ų9087 Ų8758%0.58442%0.418SS*.Hα-helixtrans-56.3-44.9171.1-27.534.2000114N257 K262 R263N257-P259 VanDerWaalsContact OD1-CD 3.22Å; N257-P259 WeakPolarHBondContact OD1-CD 3.4Å; P259-K262 PolarHBondContact O-N 3.11Å; P259-R263 PolarHBondContact O-N 2.92Å
260K94.6Very high95.8Very high33 Ų3381.4 Ų81.414%0.14339%0.388CS..Hα-helixtrans-66.8-43.1178.8-172.9179.6174.2-165.40111.6D149 N257 M258 K262 R263 K264 Y267D149-K260 IonicContact OD1-NZ 2.87Å; D149-K260 PolarHBondContact OD1-NZ 3.39Å; D149-K260 IonicContact OD2-NZ 2.55Å; D149-K260 PolarHBondContact OD2-NZ 2.97Å; N257-K260 HydrophobicContact CB-CB 3.86Å; N257-K260 PolarHBondContact O-N 3.28Å; N257-K260 VanDerWaalsContact OD1-CB 3.3Å; N257-K260 WeakPolarHBondContact OD1-CB 3.28Å; N257-K260 PolarHBondContact OD1-N 3.27Å; M258-K260 PolarHBondContact O-N 2.92Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 2.67Å; K260-R263 PolarHBondContact O-N 3.1Å; K260-R263 VanDerWaalsContact O-N 3.09Å; K260-K264 HydrophobicContact CG-CD 4.06Å; K260-K264 HydrophobicContact CG-CG 4.49Å; K260-K264 PolarHBondContact O-N 3.15Å; K260-Y267 HydrophobicContact CB-CE2 4.42Å; K260-Y267 HydrophobicContact CD-CD2 3.76Å; K260-Y267 HydrophobicContact CD-CE2 3.5Å; K260-Y267 HydrophobicContact CG-CD2 3.85Å; K260-Y267 HydrophobicContact CG-CE2 3.94Å
261K94.4Very high95.9Very high115 Ų11580.8 Ų80.850%0.538%0.382SS..Hα-helixtrans-58.6-40.6177.1-175.4170.5-178.9176.50112.2I256 N257 M258 R263 Y267I256-K261 HydrophobicContact CG2-CD 3.95Å; N257-K261 WeakPolarHBondContact O-CB 3.31Å; N257-K261 PolarHBondContact O-N 2.88Å; M258-K261 PolarHBondContact O-N 3.5Å; M258-K261 HydrophobicContact SD-CD 4.39Å; K261-R263 VanDerWaalsContact C-N 3.3Å; K261-R263 PolarHBondContact O-N 3.31Å; K261-Y267 HydrophobicContact CB-CD1 3.54Å; K261-Y267 HydrophobicContact CB-CE1 3.74Å; K261-Y267 HydrophobicContact CB-CG 4.44Å; K261-Y267 HydrophobicContact CD-CD1 4.34Å; K261-Y267 HydrophobicContact CD-CE1 4.42Å; K261-Y267 HydrophobicContact CG-CD1 3.78Å; K261-Y267 HydrophobicContact CG-CE1 4.22Å
262K94.7Very high96Very high175 Ų17580.8 Ų80.876%0.76138%0.382SS*.Hα-helixtrans-66.7-29.4176-71.3175.6-178.9-179.90113.1M258 P259 K260M258-K262 WeakPolarHBondContact O-CG 3.28Å; M258-K262 PolarHBondContact O-N 3.43Å; M258-K262 VanDerWaalsContact O-N 3.1Å; P259-K262 PolarHBondContact O-N 3.11Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 2.67Å
263R94.2Very high96Very high202 Ų20275.2 Ų75.276%0.76236%0.356SS*.Hα-helixtrans-91.5-31.3-175.5-177.516958.4148.3-4.5114.2P259 K260 K261P259-R263 PolarHBondContact O-N 2.92Å; K260-R263 PolarHBondContact O-N 3.1Å; K260-R263 VanDerWaalsContact O-N 3.09Å; K261-R263 VanDerWaalsContact C-N 3.3Å; K261-R263 PolarHBondContact O-N 3.31Å
264K92.7Very high96Very high109 Ų10976.2 Ų76.247%0.47436%0.363SS..  trans-111.1113.8-172.1-71.2-169.7177.5-169.70111.7K260 C266 Y267K260-K264 HydrophobicContact CG-CD 4.06Å; K260-K264 HydrophobicContact CG-CG 4.49Å; K260-K264 PolarHBondContact O-N 3.15Å; K264-C266 VanDerWaalsContact C-N 3.33Å; K264-C266 PolarHBondContact O-N 3.4Å; K264-Y267 WeakPolarHBondContact O-CB 3.5Å; K264-Y267 PolarHBondContact O-N 3.49Å
265K89.2Confident96Very high217 Ų21771 Ų7194%0.94334%0.339SS*.THydrogen-bonded Turntrans-57.4-36.8-178.7-71.6-174.1177.8-179.10114.5
266C93Very high95.8Very high125 Ų12574.7 Ų74.785%0.84536%0.355SS*.THydrogen-bonded Turntrans-10325.5-178.1-53.90000113.3K264K264-C266 VanDerWaalsContact C-N 3.33Å; K264-C266 PolarHBondContact O-N 3.4Å
267Y95.8Very high95.6Very high32 Ų3273.7 Ų73.713%0.12535%0.35CS..  trans-73128.9178.7174.6-99.4000111.5L255 I256 N257 K260 K261 K264 N269 S270L255-Y267 PolarHBondContact O-OH 3.27Å; I256-Y267 HydrophobicContact CD1-CE1 4.45Å; I256-Y267 HydrophobicContact CG2-CE1 4.34Å; N257-Y267 PolarHBondContact N-OH 2.88Å; K260-Y267 HydrophobicContact CB-CE2 4.42Å; K260-Y267 HydrophobicContact CD-CD2 3.76Å; K260-Y267 HydrophobicContact CD-CE2 3.5Å; K260-Y267 HydrophobicContact CG-CD2 3.85Å; K260-Y267 HydrophobicContact CG-CE2 3.94Å; K261-Y267 HydrophobicContact CB-CD1 3.54Å; K261-Y267 HydrophobicContact CB-CE1 3.74Å; K261-Y267 HydrophobicContact CB-CG 4.44Å; K261-Y267 HydrophobicContact CD-CD1 4.34Å; K261-Y267 HydrophobicContact CD-CE1 4.42Å; K261-Y267 HydrophobicContact CG-CD1 3.78Å; K261-Y267 HydrophobicContact CG-CE1 4.22Å; K264-Y267 WeakPolarHBondContact O-CB 3.5Å; K264-Y267 PolarHBondContact O-N 3.49Å; Y267-N269 VanDerWaalsContact CE2-C 3.41Å; Y267-N269 WeakPolarHBondContact CE2-O 3.21Å; Y267-N269 VanDerWaalsContact CZ-C 3.46Å; Y267-N269 VanDerWaalsContact OH-C 3.28Å; Y267-N269 WeakPolarHBondContact OH-CA 3.49Å; Y267-S270 PolarHBondContact OH-N 3.48Å; Y267-S270 VanDerWaalsContact OH-N 3.14Å; Y267-S270 PolarHBondContact OH-OG 3.25Å
268Q95.1Very high95.3Very high158 Ų15876.9 Ų76.974%0.73836%0.362SS*.  trans-101.6-65.5175.4-65.6-178.3-4.400110.9
269N98Very high95Very high41 Ų4175.3 Ų75.322%0.21935%0.352CS..  trans-154.3177.8176.761.866.3000110.2Q254 I256 Y267 G271Q254-N269 HydrophobicContact CB-CB 4.03Å; Q254-N269 HydrophobicContact CG-CB 4.43Å; I256-N269 HydrophobicContact CD1-CB 4.2Å; Y267-N269 VanDerWaalsContact CE2-C 3.41Å; Y267-N269 WeakPolarHBondContact CE2-O 3.21Å; Y267-N269 VanDerWaalsContact CZ-C 3.46Å; Y267-N269 VanDerWaalsContact OH-C 3.28Å; Y267-N269 WeakPolarHBondContact OH-CA 3.49Å; N269-G271 WeakPolarHBondContact OD1-CA 3.3Å; N269-G271 PolarHBondContact OD1-N 2.77Å; N269-G271 PolarHBondContact OD1-O 2.9Å
270S98.2Very high94.6Very high0 Ų071.3 Ų71.30%033%0.327CS..SBendtrans-109.824174.7-59.70000112.1L148 D149 I233 L255 N257 Y267L148-S270 WeakPolarHBondContact CA-O 3.08Å; D149-S270 PolarHBondContact N-O 3.09Å; D149-S270 WeakPolarHBondContact OD2-CB 3.31Å; D149-S270 PolarHBondContact OD2-OG 2.69Å; I233-S270 WeakPolarHBondContact CG2-O 3.45Å; I233-S270 WeakPolarHBondContact O-CB 3.29Å; I233-S270 PolarHBondContact O-OG 2.75Å; L255-S270 PolarHBondContact O-N 3.41Å; N257-S270 WeakPolarHBondContact CB-OG 3.42Å; Y267-S270 PolarHBondContact OH-N 3.48Å; Y267-S270 VanDerWaalsContact OH-N 3.14Å; Y267-S270 PolarHBondContact OH-OG 3.25Å
271G98.3Very high93.5Very high0 Ų079.1 Ų79.10%036%0.364CS..  trans118.4178.8-172.600000113.5A146 N147 L255 N269A146-G271 WeakPolarHBondContact O-CA 3.21Å; N147-G271 WeakPolarHBondContact O-CA 3.49Å; L255-G271 PolarHBondContact N-O 3.26Å; N269-G271 WeakPolarHBondContact OD1-CA 3.3Å; N269-G271 PolarHBondContact OD1-N 2.77Å; N269-G271 PolarHBondContact OD1-O 2.9Å
272L98.6Very high92.4Very high30 Ų3075.4 Ų75.416%0.15735%0.353CS..EExtended strand (participates in β ladder)trans-119.3141.4-178.4-58168.5000109.1G145 A146 E252 F253 Q254G145-L272 CarbonylContact C-O 3.55Å; G145-L272 VanDerWaalsContact CA-O 3.29Å; G145-L272 WeakPolarHBondContact CA-O 3.49Å; A146-L272 HydrophobicContact CB-CB 4.43Å; A146-L272 PolarHBondContact N-O 3.32Å; A146-L272 PolarHBondContact O-N 2.81Å; E252-L272 HydrophobicContact CG-CB 3.96Å; E252-L272 HydrophobicContact CG-CD1 4.49Å; E252-L272 HydrophobicContact CG-CD2 4.29Å; E252-L272 HydrophobicContact CG-CG 4.46Å; F253-L272 CarbonylContact O-C 3.55Å; F253-L272 WeakPolarHBondContact O-CA 3.49Å; Q254-L272 HydrophobicContact CG-CD2 3.85Å
273L98.6Very high91.8Very high0 Ų074 Ų740%035%0.346CS..EExtended strand (participates in β ladder)trans-124.9115.4171.9-169.875.9000109.3M143 N144 V161 W189 F210 F236 F253 L255 V275M143-L273 HydrophobicContact CB-CD1 4.45Å; M143-L273 HydrophobicContact SD-CD2 4.43Å; N144-L273 CarbonylContact O-C 3.59Å; N144-L273 WeakPolarHBondContact O-CA 3.41Å; V161-L273 HydrophobicContact CG1-CD2 4.42Å; V161-L273 HydrophobicContact CG2-CD1 4.2Å; V161-L273 HydrophobicContact CG2-CD2 4.26Å; W189-L273 HydrophobicContact CE3-CD1 4.28Å; W189-L273 HydrophobicContact CH2-CD1 3.76Å; W189-L273 HydrophobicContact CZ3-CD1 3.3Å; F210-L273 HydrophobicContact CB-CD2 4.42Å; F210-L273 HydrophobicContact CD1-CD2 4.22Å; F236-L273 HydrophobicContact CE1-CB 3.95Å; F236-L273 HydrophobicContact CE1-CD2 3.56Å; F236-L273 HydrophobicContact CE1-CG 4.29Å; F236-L273 HydrophobicContact CZ-CD2 3.92Å; F253-L273 PolarHBondContact N-O 2.97Å; F253-L273 PolarHBondContact O-N 2.58Å; L255-L273 HydrophobicContact CD1-CB 4.28Å; L255-L273 HydrophobicContact CD2-CB 4.23Å; L255-L273 HydrophobicContact CG-CB 4.17Å; L273-V275 HydrophobicContact CD2-CG2 4.15Å; L273-V275 HydrophobicContact CG-CG2 4.35Å
274T98.5Very high91.6Very high34 Ų3468.3 Ų68.321%0.20933%0.327CS..EExtended strand (participates in β ladder)trans-89.1128.2171.9-580000109.5M143 N144 I251M143-T274 VanDerWaalsContact CA-O 3.26Å; M143-T274 WeakPolarHBondContact CA-O 3.4Å; N144-T274 PolarHBondContact N-O 2.74Å; N144-T274 PolarHBondContact O-N 2.93Å; I251-T274 CarbonylContact O-C 3.56Å; I251-T274 WeakPolarHBondContact O-CA 3.12Å
275V98.2Very high91.6Very high0 Ų064.1 Ų64.10%031%0.312CS..EExtended strand (participates in β ladder)trans-118.6123.7177.1-174.80000109.1I141 M143 F210 F236 L243 G250 I251 F253 L273I141-V275 HydrophobicContact CG2-CG1 3.96Å; M143-V275 HydrophobicContact CG-CG1 4.5Å; M143-V275 HydrophobicContact CG-CG2 4.33Å; F210-V275 HydrophobicContact CD1-CG2 4.31Å; F210-V275 HydrophobicContact CE1-CG1 4.23Å; F210-V275 HydrophobicContact CE1-CG2 4.07Å; F210-V275 HydrophobicContact CZ-CG1 4.26Å; F236-V275 HydrophobicContact CZ-CG2 3.98Å; L243-V275 HydrophobicContact CD1-CG1 4.33Å; L243-V275 HydrophobicContact CD2-CB 4.06Å; L243-V275 HydrophobicContact CD2-CG1 3.88Å; G250-V275 CarbonylContact C-O 3.56Å; G250-V275 VanDerWaalsContact CA-O 3.27Å; G250-V275 WeakPolarHBondContact CA-O 3.48Å; I251-V275 PolarHBondContact N-O 3.19Å; I251-V275 PolarHBondContact O-N 3.15Å; F253-V275 HydrophobicContact CD2-CG2 4.17Å; F253-V275 HydrophobicContact CE2-CB 4.29Å; F253-V275 HydrophobicContact CE2-CG2 4.27Å; L273-V275 HydrophobicContact CD2-CG2 4.15Å; L273-V275 HydrophobicContact CG-CG2 4.35Å
276K96.2Very high91.9Very high78 Ų7854.7 Ų54.734%0.33927%0.271SS..EExtended strand (participates in β ladder)trans-123.5134.5178.9177.5176.1172.8170.10110.3K142 E248K142-K276 HydrophobicContact CB-CB 4.44Å; K142-K276 PolarHBondContact N-O 3.08Å; K142-K276 PolarHBondContact O-N 3.02Å; E248-K276 VanDerWaalsContact O-CD 3.29Å; E248-K276 WeakPolarHBondContact O-CD 3.07Å; E248-K276 WeakPolarHBondContact O-CE 3.44Å; E248-K276 PolarHBondContact O-NZ 3.39Å
277L94.4Very high92Very high10 Ų1048.8 Ų48.85%0.05223%0.231CC..EExtended strand (participates in β ladder)trans-106.6146.4172.5-57.8-168.5000110.7I139 F140 I141 L243 L244 L550I139-L277 HydrophobicContact CD1-CD1 4.05Å; I139-L277 HydrophobicContact CD1-CD2 4.14Å; F140-L277 WeakPolarHBondContact O-CA 3.47Å; I141-L277 HydrophobicContact CB-CD2 4.1Å; I141-L277 HydrophobicContact CD1-CD2 4.49Å; I141-L277 HydrophobicContact CG1-CD2 3.7Å; I141-L277 HydrophobicContact CG2-CD2 4.04Å; L243-L277 HydrophobicContact CB-CD1 3.51Å; L243-L277 HydrophobicContact CB-CG 3.98Å; L243-L277 HydrophobicContact CD1-CD1 4.49Å; L244-L277 HydrophobicContact CD2-CD1 4.07Å; L244-L277 HydrophobicContact CG-CD1 4.45Å; L277-L550 HydrophobicContact CB-CD1 3.58Å
278Y90.8Very high91.9Very high79 Ų7947.4 Ų47.431%0.3123%0.225SC..EExtended strand (participates in β ladder)trans-148.3152.2165.952.7-80.7000109.8I139 F140 K142 P191 A280I139-Y278 CarbonylContact C-O 3.54Å; I139-Y278 WeakPolarHBondContact CA-O 3.34Å; F140-Y278 HydrophobicContact CB-CD1 3.87Å; F140-Y278 HydrophobicContact CB-CD2 3.68Å; F140-Y278 HydrophobicContact CB-CE1 3.43Å; F140-Y278 VanDerWaalsContact CB-CE1 3.43Å; F140-Y278 HydrophobicContact CB-CE2 3.25Å; F140-Y278 HydrophobicContact CB-CG 3.97Å; F140-Y278 WeakPolarHBondContact CB-OH 3.25Å; F140-Y278 HydrophobicContact CD1-CE2 4.44Å; F140-Y278 AromaticContact CD2-CD2 3.64Å; F140-Y278 HydrophobicContact CD2-CD2 3.64Å; F140-Y278 AromaticContact CD2-CE2 3.1Å; F140-Y278 HydrophobicContact CD2-CE2 3.1Å; F140-Y278 AromaticContact CD2-CZ 3.8Å; F140-Y278 HydrophobicContact CE2-CE2 4.01Å; F140-Y278 HydrophobicContact CG-CD2 4.06Å; F140-Y278 HydrophobicContact CG-CE1 4.35Å; F140-Y278 AromaticContact CG-CE2 3.37Å; F140-Y278 HydrophobicContact CG-CE2 3.37Å; F140-Y278 AromaticContact CG-CZ 3.53Å; F140-Y278 PolarHBondContact N-O 2.96Å; F140-Y278 PolarHBondContact O-N 3.43Å; F140-Y278 VanDerWaalsContact O-N 3.16Å; K142-Y278 HydrophobicContact CB-CE1 4.05Å; P191-Y278 WeakPolarHBondContact CB-OH 3.44Å; P191-Y278 WeakPolarHBondContact CG-OH 3.45Å; Y278-A280 PolarHBondContact O-N 2.87Å
279F88.3Confident92Very high53 Ų5340.3 Ų40.323%0.23219%0.192CC..EExtended strand (participates in β ladder)trans-57133.4170.6-77.3-62.2000109.4E137 A547 K549 L550 L553E137-F279 HydrophobicContact CB-CE1 4.22Å; E137-F279 HydrophobicContact CG-CE1 4.01Å; F279-A547 HydrophobicContact CZ-CB 3.95Å; F279-K549 VanDerWaalsContact CE2-C 3.43Å; F279-L550 HydrophobicContact CD1-CD2 3.68Å; F279-L550 HydrophobicContact CD2-CD2 4.14Å; F279-L550 HydrophobicContact CD2-CG 4.2Å; F279-L550 HydrophobicContact CE1-CD2 3.52Å; F279-L550 HydrophobicContact CE1-CG 4.5Å; F279-L550 HydrophobicContact CE2-CD2 4.03Å; F279-L550 HydrophobicContact CE2-CG 4.15Å; F279-L550 HydrophobicContact CG-CD2 3.98Å; F279-L550 HydrophobicContact CG-CG 4.41Å; F279-L550 HydrophobicContact CZ-CD2 3.71Å; F279-L550 HydrophobicContact CZ-CG 4.29Å; F279-L553 HydrophobicContact CE1-CD1 4.27Å; F279-L553 HydrophobicContact CZ-CD1 4.34Å
280A85.8Confident92Very high6 Ų638.4 Ų38.45%0.0518%0.182CC..  trans-72.1143.7158.100000107.4N138 F140 L193 Y278 S282N138-A280 HydrophobicContact CB-CB 3.87Å; N138-A280 WeakPolarHBondContact O-CB 3.36Å; N138-A280 PolarHBondContact O-N 3.19Å; F140-A280 HydrophobicContact CD2-CB 3.6Å; F140-A280 HydrophobicContact CE2-CB 3.47Å; F140-A280 VanDerWaalsContact CE2-CB 3.47Å; F140-A280 HydrophobicContact CG-CB 4.46Å; F140-A280 HydrophobicContact CZ-CB 4.22Å; L193-A280 HydrophobicContact CD1-CB 3.33Å; Y278-A280 PolarHBondContact O-N 2.87Å; A280-S282 PolarHBondContact O-N 3.05Å
281Q71.7Confident91.8Very high197 Ų19738.7 Ų38.792%0.92118%0.183SC*.  trans-6297.5166.4-172.5177.44.300106.8
282S69.3Low91.7Very high38 Ų3838.7 Ų38.727%0.26618%0.183SC..PPolyproline II helixtrans-74.4138.6178.344.20000108E137 A280E137-S282 PolarHBondContact OE2-OG 2.93Å; A280-S282 PolarHBondContact O-N 3.05Å
283K82.3Confident91.5Very high145 Ų14538.2 Ų38.263%0.6319%0.186SC*.PPolyproline II helixtrans-64.1146.8161.8-65.3-172.8177.1-168.10107.5S285 D533K283-S285 PolarHBondContact O-N 3.48Å; K283-D533 WeakPolarHBondContact CD-OD1 3.5Å; K283-D533 VanDerWaalsContact CE-OD1 3.29Å; K283-D533 WeakPolarHBondContact CE-OD1 3.5Å; K283-D533 IonicContact NZ-OD1 2.68Å; K283-D533 PolarHBondContact NZ-OD1 3.37Å; K283-D533 VanDerWaalsContact NZ-OD1 3.11Å; K283-D533 IonicContact NZ-OD2 3.79Å; K283-D533 PolarHBondContact NZ-OD2 3.46Å
284F90.6Very high91.4Very high82 Ų8238.3 Ų38.336%0.3619%0.186SC..PPolyproline II helixtrans-58.6135.3173.8-66.4-72.3000110.2D288 Y289 P539F284-D288 WeakPolarHBondContact CA-OD2 3.31Å; F284-D288 HydrophobicContact CB-CB 3.99Å; F284-D288 HydrophobicContact CD1-CB 4.06Å; F284-Y289 HydrophobicContact CB-CD2 4.18Å; F284-Y289 HydrophobicContact CB-CE2 3.52Å; F284-P539 HydrophobicContact CB-CG 4.13Å; F284-P539 HydrophobicContact CD1-CG 3.61Å; F284-P539 VanDerWaalsContact CD2-CD 3.4Å; F284-P539 HydrophobicContact CD2-CG 4.27Å; F284-P539 HydrophobicContact CE1-CG 4.03Å; F284-P539 HydrophobicContact CG-CG 3.74Å
285S92.4Very high91.3Very high21 Ų2136.9 Ų36.915%0.14718%0.178CC..PPolyproline II helixtrans-74.3166.8175.975.40000110.5E131 K283 L287 D288 Y289E131-S285 WeakPolarHBondContact OE2-CB 3.22Å; E131-S285 PolarHBondContact OE2-OG 2.71Å; K283-S285 PolarHBondContact O-N 3.48Å; S285-L287 PolarHBondContact O-N 3.32Å; S285-L287 PolarHBondContact OG-N 3.08Å; S285-D288 PolarHBondContact N-OD2 3.17Å; S285-D288 WeakPolarHBondContact O-CB 3.25Å; S285-D288 PolarHBondContact O-N 3.27Å; S285-D288 PolarHBondContact OG-N 3.17Å; S285-D288 PolarHBondContact OG-OD2 2.9Å; S285-Y289 VanDerWaalsContact O-CD2 3.22Å; S285-Y289 WeakPolarHBondContact O-CD2 3.4Å; S285-Y289 PolarHBondContact O-N 3.48Å
286F95Very high91.2Very high19 Ų1936.9 Ų36.98%0.08318%0.178CC..Hα-helixtrans-56.1-41.9170.6171.3-104.6000111.2Y62 F64 D288 Y289 I290 I296 P525 I528 L529Y62-F286 HydrophobicContact CE1-CD1 4.29Å; Y62-F286 HydrophobicContact CE1-CE1 4.18Å; F64-F286 AromaticContact CD2-CE1 3.67Å; F64-F286 HydrophobicContact CD2-CE1 3.67Å; F64-F286 AromaticContact CD2-CZ 3.65Å; F64-F286 HydrophobicContact CD2-CZ 3.65Å; F64-F286 HydrophobicContact CE2-CE1 4.18Å; F64-F286 AromaticContact CE2-CZ 3.67Å; F64-F286 HydrophobicContact CE2-CZ 3.67Å; F64-F286 HydrophobicContact CG-CE1 4.25Å; F64-F286 HydrophobicContact CG-CZ 4.37Å; F64-F286 HydrophobicContact CZ-CZ 4.4Å; F286-D288 VanDerWaalsContact C-N 3.35Å; F286-D288 PolarHBondContact O-N 2.77Å; F286-Y289 PolarHBondContact O-N 3.29Å; F286-I290 HydrophobicContact CD1-CG1 4.4Å; F286-I290 HydrophobicContact CE1-CG1 3.92Å; F286-I290 HydrophobicContact CE2-CD1 4.02Å; F286-I290 HydrophobicContact CE2-CG1 4.07Å; F286-I290 HydrophobicContact CZ-CD1 3.87Å; F286-I290 HydrophobicContact CZ-CG1 3.73Å; F286-I290 WeakPolarHBondContact O-CG1 3.29Å; F286-I290 PolarHBondContact O-N 3.36Å; F286-I296 HydrophobicContact CZ-CD1 4.31Å; F286-P525 HydrophobicContact CB-CB 4.48Å; F286-P525 HydrophobicContact CD1-CB 4.46Å; F286-P525 HydrophobicContact CD2-CB 3.94Å; F286-P525 HydrophobicContact CE2-CB 4.29Å; F286-P525 HydrophobicContact CG-CB 4.03Å; F286-I528 HydrophobicContact CE2-CD1 3.95Å; F286-L529 HydrophobicContact CB-CD1 4.11Å; F286-L529 HydrophobicContact CB-CD2 4.47Å; F286-L529 HydrophobicContact CB-CG 4.36Å
287L95.6Very high91.2Very high2 Ų234.3 Ų34.31%0.0117%0.167CC..Hα-helixtrans-66-35.1179-67.9-177.9000112.4P5 I7 Y62 I99 E131 S285 Y289 I290 F291P5-L287 HydrophobicContact CB-CD1 3.97Å; P5-L287 HydrophobicContact CG-CD1 4.23Å; I7-L287 HydrophobicContact CG2-CD1 3.7Å; Y62-L287 HydrophobicContact CD1-CD1 4.29Å; Y62-L287 HydrophobicContact CD1-CD2 3.87Å; Y62-L287 HydrophobicContact CD1-CG 4.38Å; Y62-L287 HydrophobicContact CE1-CD2 3.56Å; Y62-L287 HydrophobicContact CE1-CG 4.4Å; Y62-L287 HydrophobicContact CE2-CD2 4.5Å; Y62-L287 HydrophobicContact CG-CD2 4.43Å; I99-L287 HydrophobicContact CD1-CD2 3.92Å; I99-L287 HydrophobicContact CG2-CD2 3.9Å; E131-L287 HydrophobicContact CB-CB 4.45Å; E131-L287 HydrophobicContact CB-CD1 3.94Å; E131-L287 HydrophobicContact CG-CD1 3.9Å; S285-L287 PolarHBondContact O-N 3.32Å; S285-L287 PolarHBondContact OG-N 3.08Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 2.85Å; L287-I290 PolarHBondContact O-N 3.39Å; L287-F291 HydrophobicContact CB-CD2 4.06Å; L287-F291 HydrophobicContact CB-CE2 3.82Å; L287-F291 WeakPolarHBondContact O-CB 3.45Å; L287-F291 WeakPolarHBondContact O-CD2 3.42Å; L287-F291 WeakPolarHBondContact O-CG 3.22Å; L287-F291 PolarHBondContact O-N 3.16Å
288D94.7Very high91.4Very high2 Ų233.9 Ų33.91%0.01117%0.165CC..Hα-helixtrans-57.1-42.5174.6-75.7-35.9000112K136 F284 S285 F286 G292 P539 V543 Q546K136-D288 WeakPolarHBondContact CE-OD2 3.38Å; K136-D288 IonicContact NZ-OD1 3.69Å; K136-D288 PolarHBondContact NZ-OD1 3.07Å; K136-D288 IonicContact NZ-OD2 2.64Å; K136-D288 PolarHBondContact NZ-OD2 2.85Å; F284-D288 WeakPolarHBondContact CA-OD2 3.31Å; F284-D288 HydrophobicContact CB-CB 3.99Å; F284-D288 HydrophobicContact CD1-CB 4.06Å; S285-D288 PolarHBondContact N-OD2 3.17Å; S285-D288 WeakPolarHBondContact O-CB 3.25Å; S285-D288 PolarHBondContact O-N 3.27Å; S285-D288 PolarHBondContact OG-N 3.17Å; S285-D288 PolarHBondContact OG-OD2 2.9Å; F286-D288 VanDerWaalsContact C-N 3.35Å; F286-D288 PolarHBondContact O-N 2.77Å; D288-G292 WeakPolarHBondContact O-CA 3.31Å; D288-G292 PolarHBondContact O-N 3.42Å; D288-P539 HydrophobicContact CB-CG 4.06Å; D288-V543 HydrophobicContact CB-CG2 3.82Å; D288-V543 WeakPolarHBondContact O-CG2 3.31Å; D288-V543 WeakPolarHBondContact OD1-CG1 3.4Å; D288-Q546 PolarHBondContact OD1-NE2 3.04Å
289Y96.4Very high91.7Very high10 Ų1030.6 Ų30.64%0.03915%0.154CC..Hα-helixtrans-68-42.5177.9-71.4-77.8000112.1F284 S285 F286 L287 G292 G293 L294 L529 L532 L537 P539F284-Y289 HydrophobicContact CB-CD2 4.18Å; F284-Y289 HydrophobicContact CB-CE2 3.52Å; S285-Y289 VanDerWaalsContact O-CD2 3.22Å; S285-Y289 WeakPolarHBondContact O-CD2 3.4Å; S285-Y289 PolarHBondContact O-N 3.48Å; F286-Y289 PolarHBondContact O-N 3.29Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 2.85Å; Y289-G292 CarbonylContact O-C 3.29Å; Y289-G292 WeakPolarHBondContact O-CA 3.14Å; Y289-G292 PolarHBondContact O-N 3.48Å; Y289-G293 PolarHBondContact O-N 2.93Å; Y289-G293 VanDerWaalsContact O-N 3.16Å; Y289-L294 WeakPolarHBondContact O-CB 3.21Å; Y289-L294 PolarHBondContact O-N 2.78Å; Y289-L529 HydrophobicContact CD2-CD2 3.79Å; Y289-L529 HydrophobicContact CE2-CD2 3.68Å; Y289-L532 HydrophobicContact CD1-CD1 3.65Å; Y289-L532 HydrophobicContact CD1-CD2 4.48Å; Y289-L532 HydrophobicContact CD2-CD1 3.74Å; Y289-L532 HydrophobicContact CE1-CB 4.12Å; Y289-L532 HydrophobicContact CE1-CD1 3.72Å; Y289-L532 HydrophobicContact CE1-CD2 4.21Å; Y289-L532 HydrophobicContact CE1-CG 4.24Å; Y289-L532 HydrophobicContact CE2-CB 4.31Å; Y289-L532 HydrophobicContact CE2-CD1 3.83Å; Y289-L532 HydrophobicContact CG-CD1 3.66Å; Y289-L537 WeakPolarHBondContact CE1-O 3.38Å; Y289-L537 PolarHBondContact OH-O 2.98Å; Y289-P539 HydrophobicContact CD1-CB 4.29Å; Y289-P539 HydrophobicContact CD1-CG 3.83Å; Y289-P539 HydrophobicContact CE1-CG 4.01Å; Y289-P539 HydrophobicContact CG-CG 4.22Å
290I97.2Very high92.2Very high0 Ų028.1 Ų28.10%014%0.143CC..Hα-helixtrans-67.8-46.3178.8-54.4-62000111I99 H100 F286 L287 G292 G293 L294 I296 Y344I99-I290 HydrophobicContact CG2-CB 3.98Å; I99-I290 HydrophobicContact CG2-CG2 3.62Å; H100-I290 HydrophobicContact CB-CG2 4.19Å; F286-I290 HydrophobicContact CD1-CG1 4.4Å; F286-I290 HydrophobicContact CE1-CG1 3.92Å; F286-I290 HydrophobicContact CE2-CD1 4.02Å; F286-I290 HydrophobicContact CE2-CG1 4.07Å; F286-I290 HydrophobicContact CZ-CD1 3.87Å; F286-I290 HydrophobicContact CZ-CG1 3.73Å; F286-I290 WeakPolarHBondContact O-CG1 3.29Å; F286-I290 PolarHBondContact O-N 3.36Å; L287-I290 PolarHBondContact O-N 3.39Å; I290-G292 PolarHBondContact O-N 3.02Å; I290-G293 PolarHBondContact O-N 2.94Å; I290-L294 HydrophobicContact CD1-CB 4.33Å; I290-L294 HydrophobicContact CD1-CD2 4.08Å; I290-L294 HydrophobicContact CD1-CG 4.43Å; I290-I296 HydrophobicContact CD1-CD1 4.13Å; I290-I296 HydrophobicContact CD1-CG1 4.3Å; I290-Y344 HydrophobicContact CG2-CD1 3.98Å; I290-Y344 HydrophobicContact CG2-CE1 4.4Å
291F96Very high92.8Very high6 Ų627.8 Ų27.83%0.02614%0.14CC..Hα-helixtrans-58-35.5171-71.1-50.6000111.5I99 G102 I129 E131 L287 G293 V543I99-F291 HydrophobicContact CB-CD1 4.42Å; I99-F291 HydrophobicContact CB-CE1 3.98Å; I99-F291 HydrophobicContact CG1-CE1 3.86Å; I99-F291 HydrophobicContact CG1-CZ 4.11Å; I99-F291 HydrophobicContact CG2-CD1 3.86Å; I99-F291 HydrophobicContact CG2-CE1 3.69Å; I99-F291 HydrophobicContact CG2-CG 4.39Å; I99-F291 HydrophobicContact CG2-CZ 4.07Å; G102-F291 WeakPolarHBondContact CA-O 3.43Å; I129-F291 HydrophobicContact CG2-CZ 4.28Å; I129-F291 WeakPolarHBondContact O-CE1 3.48Å; E131-F291 HydrophobicContact CB-CE2 4.04Å; L287-F291 HydrophobicContact CB-CD2 4.06Å; L287-F291 HydrophobicContact CB-CE2 3.82Å; L287-F291 WeakPolarHBondContact O-CB 3.45Å; L287-F291 WeakPolarHBondContact O-CD2 3.42Å; L287-F291 WeakPolarHBondContact O-CG 3.22Å; L287-F291 PolarHBondContact O-N 3.16Å; F291-G293 PolarHBondContact O-N 2.67Å; F291-V543 HydrophobicContact CB-CG1 4.13Å; F291-V543 HydrophobicContact CD2-CG1 4.1Å; F291-V543 HydrophobicContact CG-CG1 4.45Å
292G94.8Very high94Very high0 Ų018.4 Ų18.40%010%0.096CC..THydrogen-bonded Turntrans-75.11.8176.900000115.1D288 Y289 I290 H541D288-G292 WeakPolarHBondContact O-CA 3.31Å; D288-G292 PolarHBondContact O-N 3.42Å; Y289-G292 CarbonylContact O-C 3.29Å; Y289-G292 WeakPolarHBondContact O-CA 3.14Å; Y289-G292 PolarHBondContact O-N 3.48Å; I290-G292 PolarHBondContact O-N 3.02Å; G292-H541 WeakPolarHBondContact O-CB 3.34Å; G292-H541 PolarHBondContact O-N 3.19Å
293G94.2Very high95.1Very high21 Ų2116.6 Ų16.622%0.2168%0.084CC..THydrogen-bonded Turntrans98.49.5173.500000116.1Y289 I290 F291 S295Y289-G293 PolarHBondContact O-N 2.93Å; Y289-G293 VanDerWaalsContact O-N 3.16Å; I290-G293 PolarHBondContact O-N 2.94Å; F291-G293 PolarHBondContact O-N 2.67Å; G293-S295 PolarHBondContact O-N 2.91Å
294L96.6Very high95.5Very high2 Ų29.7 Ų9.71%0.015%0.054CC..  trans-62.2118.1173.8178.775.1000110.7H100 Y289 I290 A421 I528 L532H100-L294 PolarHBondContact CE1-O 2.88Å; Y289-L294 WeakPolarHBondContact O-CB 3.21Å; Y289-L294 PolarHBondContact O-N 2.78Å; I290-L294 HydrophobicContact CD1-CB 4.33Å; I290-L294 HydrophobicContact CD1-CD2 4.08Å; I290-L294 HydrophobicContact CD1-CG 4.43Å; L294-A421 WeakPolarHBondContact CD1-O 3.32Å; L294-I528 HydrophobicContact CD2-CG2 3.84Å; L294-L532 HydrophobicContact CD2-CD1 4.29Å
295S96.5Very high95.3Very high4 Ų47 Ų73%0.0285%0.045CC..EExtended strand (participates in β ladder)trans-91.4134.4172.9-168.70000111.7G293 N297 S346 D422 Y424G293-S295 PolarHBondContact O-N 2.91Å; S295-N297 PolarHBondContact OG-OD1 2.78Å; S295-S346 PolarHBondContact OG-N 2.86Å; S295-S346 PolarHBondContact OG-OG 3.4Å; S295-D422 PolarHBondContact N-O 3.33Å; S295-Y424 PolarHBondContact O-N 3.46Å
296I97.2Very high94.8Very high0 Ų07.7 Ų7.70%05%0.048CC..EExtended strand (participates in β ladder)trans-98.897.4173.3-55.7-179000108.6F64 F286 I290 V298 Y344 Y424 V426 I528F64-I296 HydrophobicContact CE2-CD1 4.04Å; F64-I296 HydrophobicContact CZ-CD1 4.17Å; F286-I296 HydrophobicContact CZ-CD1 4.31Å; I290-I296 HydrophobicContact CD1-CD1 4.13Å; I290-I296 HydrophobicContact CD1-CG1 4.3Å; I296-V298 HydrophobicContact CG2-CG2 4.49Å; I296-Y344 HydrophobicContact CD1-CG 4.28Å; I296-Y344 PolarHBondContact N-O 2.89Å; I296-Y424 CarbonylContact C-O 3.52Å; I296-Y424 WeakPolarHBondContact CA-O 3.21Å; I296-V426 HydrophobicContact CG2-CB 4.43Å; I296-V426 HydrophobicContact CG2-CG2 3.53Å; I296-I528 HydrophobicContact CD1-CD1 4.1Å
297N96.3Very high94Very high23 Ų236.8 Ų6.812%0.1234%0.044CC..EExtended strand (participates in β ladder)trans-85.8112.4-177.1-52.7-57.3000110.2S295 N423 Y424 Y425 V426S295-N297 PolarHBondContact OG-OD1 2.78Å; N297-N423 PolarHBondContact ND2-OD1 2.86Å; N297-Y424 PolarHBondContact N-O 2.88Å; N297-Y425 HydrophobicContact CB-CD1 3.84Å; N297-Y425 HydrophobicContact CB-CE1 3.97Å; N297-Y425 HydrophobicContact CB-CG 4.42Å; N297-Y425 WeakPolarHBondContact O-CA 3.25Å; N297-V426 PolarHBondContact O-N 2.8Å
298V97.8Very high92.8Very high2 Ų27.2 Ų7.21%0.0125%0.048CC..EExtended strand (participates in β ladder)trans-95.6125.7-176.2-173.50000111.5I296 V300 L341 F350 V426I296-V298 HydrophobicContact CG2-CG2 4.49Å; V298-V300 HydrophobicContact CG1-CG2 4.19Å; V298-L341 HydrophobicContact CG2-CB 3.71Å; V298-L341 HydrophobicContact CG2-CD1 3.76Å; V298-L341 HydrophobicContact CG2-CG 4.37Å; V298-F350 HydrophobicContact CB-CD1 3.82Å; V298-F350 HydrophobicContact CB-CE1 4.06Å; V298-F350 HydrophobicContact CG2-CE1 4.32Å; V298-V426 CarbonylContact C-O 3.58Å; V298-V426 WeakPolarHBondContact CA-O 3.49Å; V298-V426 HydrophobicContact CG2-CB 4.41Å
299V98.2Very high91.5Very high10 Ų109.8 Ų9.86%0.0617%0.066CC..EExtended strand (participates in β ladder)trans-106.7125.6169.9178.70000108.6P351 F353 V411 V426 L427 L428V299-P351 WeakPolarHBondContact CA-O 3.41Å; V299-P351 HydrophobicContact CG1-CB 4.22Å; V299-P351 HydrophobicContact CG2-CB 4.21Å; V299-P351 HydrophobicContact CG2-CG 4.1Å; V299-F353 HydrophobicContact CG1-CD2 3.97Å; V299-F353 HydrophobicContact CG1-CE2 4.01Å; V299-V411 HydrophobicContact CB-CG2 3.94Å; V299-V411 HydrophobicContact CG1-CG2 3.84Å; V299-V411 HydrophobicContact CG2-CG2 3.97Å; V299-V426 PolarHBondContact N-O 3.34Å; V299-L427 HydrophobicContact CB-CD1 4.18Å; V299-L427 HydrophobicContact CG1-CD1 3.94Å; V299-L427 CarbonylContact O-C 3.59Å; V299-L427 WeakPolarHBondContact O-CA 3.24Å; V299-L428 PolarHBondContact O-N 2.77Å
300V98.5Very high90.1Very high0 Ų011.8 Ų11.80%08%0.076CC..EExtended strand (participates in β ladder)trans-103.9125.7-178.7-175.60000109.8V298 V302 M338 P351 A352 F353 V385 L428V298-V300 HydrophobicContact CG1-CG2 4.19Å; V300-V302 HydrophobicContact CG1-CG2 3.98Å; V300-M338 HydrophobicContact CG2-SD 4.03Å; V300-P351 PolarHBondContact N-O 3.1Å; V300-A352 HydrophobicContact CB-CB 4.49Å; V300-A352 CarbonylContact O-C 3.53Å; V300-A352 VanDerWaalsContact O-CA 3.31Å; V300-A352 WeakPolarHBondContact O-CA 3.43Å; V300-F353 PolarHBondContact O-N 3.48Å; V300-V385 HydrophobicContact CB-CG1 4.28Å; V300-V385 HydrophobicContact CG1-CG1 4.12Å; V300-V385 HydrophobicContact CG2-CG1 4.26Å; V300-L428 HydrophobicContact CG1-CD2 4.41Å; V300-L428 HydrophobicContact CG2-CD2 4.46Å
301A98Very high88.5Confident0 Ų016.3 Ų16.30%010%0.101CC..EExtended strand (participates in β ladder)trans-120.8121.3176.300000109.3F353 F355 I407 L427 L428 I429 L430A301-F353 CarbonylContact C-O 3.58Å; A301-F353 WeakPolarHBondContact CA-O 3.33Å; A301-F355 HydrophobicContact CB-CD1 4.11Å; A301-F355 HydrophobicContact CB-CE1 3.8Å; A301-I407 HydrophobicContact CB-CG1 3.82Å; A301-I407 HydrophobicContact CB-CG2 4.42Å; A301-L427 HydrophobicContact CB-CD1 4.02Å; A301-L428 PolarHBondContact N-O 2.69Å; A301-I429 HydrophobicContact CB-CG1 4.4Å; A301-I429 WeakPolarHBondContact O-CA 3.5Å; A301-L430 PolarHBondContact O-N 3.18Å
302V95.8Very high87.1Confident0 Ų018.2 Ų18.20%012%0.115CC..EExtended strand (participates in β ladder)trans-114.3121.3-176.2-169.80000110.4V300 M304 Y330 I334 F353 G354 F355 L371 Y389 L430V300-V302 HydrophobicContact CG1-CG2 3.98Å; V302-M304 HydrophobicContact CB-SD 4.02Å; V302-M304 HydrophobicContact CG1-SD 3.62Å; V302-M304 WeakPolarHBondContact O-CG 3.34Å; V302-M304 PolarHBondContact O-N 2.94Å; V302-Y330 HydrophobicContact CG1-CD1 3.57Å; V302-Y330 HydrophobicContact CG1-CE1 3.8Å; V302-I334 HydrophobicContact CG2-CD1 4.43Å; V302-F353 PolarHBondContact N-O 3.01Å; V302-G354 CarbonylContact O-C 3.5Å; V302-G354 WeakPolarHBondContact O-CA 3.44Å; V302-F355 WeakPolarHBondContact O-CD1 3.21Å; V302-F355 PolarHBondContact O-N 2.74Å; V302-L371 HydrophobicContact CB-CD1 4.48Å; V302-L371 HydrophobicContact CG2-CD1 4Å; V302-Y389 HydrophobicContact CB-CD2 4.47Å; V302-Y389 HydrophobicContact CG1-CD2 3.85Å; V302-Y389 HydrophobicContact CG1-CE2 3.7Å; V302-Y389 HydrophobicContact CG2-CD2 4.48Å; V302-L430 HydrophobicContact CG2-CD1 4.32Å
303D93.2Very high85.6Confident0 Ų026.6 Ų26.60%016%0.158CC..EExtended strand (participates in β ladder)trans-68.4112.9168.6-179.3-2.5000109.9S305 Y330 F355 I402 L430 T431 N432D303-S305 WeakPolarHBondContact OD1-CB 3.46Å; D303-S305 PolarHBondContact OD1-N 3.27Å; D303-S305 PolarHBondContact OD1-OG 3.15Å; D303-Y330 HydrophobicContact CB-CE1 4.48Å; D303-Y330 PolarHBondContact O-OH 2.89Å; D303-F355 HydrophobicContact CB-CD2 4.38Å; D303-F355 HydrophobicContact CB-CE1 4.31Å; D303-F355 HydrophobicContact CB-CE2 3.55Å; D303-F355 HydrophobicContact CB-CZ 3.54Å; D303-F355 VanDerWaalsContact N-CE1 3.33Å; D303-I402 VanDerWaalsContact OD1-CD1 3.22Å; D303-I402 WeakPolarHBondContact OD1-CD1 3.4Å; D303-L430 WeakPolarHBondContact CB-O 3.47Å; D303-L430 PolarHBondContact N-O 2.74Å; D303-T431 PolarHBondContact OD2-OG1 3.09Å; D303-N432 PolarHBondContact OD2-N 3.33Å
304M90.4Very high84.6Confident0 Ų031 Ų310%018%0.181CC..  trans-98.76.2-178.5-54.9-61.6-69.200112.5V302 T306 H307 A308 F355 A357 Y369 Y389 C392 L393 L396V302-M304 HydrophobicContact CB-SD 4.02Å; V302-M304 HydrophobicContact CG1-SD 3.62Å; V302-M304 WeakPolarHBondContact O-CG 3.34Å; V302-M304 PolarHBondContact O-N 2.94Å; M304-T306 PolarHBondContact O-N 3.09Å; M304-H307 PolarHBondContact O-N 3.41Å; M304-H307 VanDerWaalsContact O-N 3.12Å; M304-A308 PolarHBondContact O-N 3.47Å; M304-A308 VanDerWaalsContact O-N 3.13Å; M304-F355 PolarHBondContact N-O 3.19Å; M304-A357 HydrophobicContact CB-CB 3.86Å; M304-Y369 WeakPolarHBondContact CB-OH 3.04Å; M304-Y369 WeakPolarHBondContact CG-OH 3.23Å; M304-Y389 HydrophobicContact CE-CD2 4.05Å; M304-Y389 HydrophobicContact CE-CE2 3.87Å; M304-Y389 HydrophobicContact SD-CD2 3.87Å; M304-Y389 HydrophobicContact SD-CE2 3.69Å; M304-C392 HydrophobicContact CE-CB 4.37Å; M304-L393 HydrophobicContact CE-CD2 3.52Å; M304-L393 HydrophobicContact CE-CG 4.17Å; M304-L396 HydrophobicContact CB-CD1 4.14Å; M304-L396 HydrophobicContact CB-CD2 4.18Å; M304-L396 HydrophobicContact CE-CD1 3.92Å; M304-L396 HydrophobicContact CE-CD2 4.34Å
305S87.5Confident83.4Confident26 Ų2631.9 Ų31.918%0.18219%0.185CC..THydrogen-bonded Turntrans-63.1-41.1-17461.70000113.7D303 H307 A308 G356D303-S305 WeakPolarHBondContact OD1-CB 3.46Å; D303-S305 PolarHBondContact OD1-N 3.27Å; D303-S305 PolarHBondContact OD1-OG 3.15Å; S305-H307 PolarHBondContact O-N 3.44Å; S305-A308 PolarHBondContact O-N 2.84Å; S305-G356 VanDerWaalsContact CA-O 3.3Å; S305-G356 WeakPolarHBondContact CA-O 3.35Å; S305-G356 WeakPolarHBondContact CB-O 3.44Å
306T80.7Confident82.4Confident34 Ų3434.8 Ų34.821%0.20920%0.203CC..THydrogen-bonded Turntrans-68.4-25.6176.7560000111.9M304 L323 N432M304-T306 PolarHBondContact O-N 3.09Å; T306-L323 WeakPolarHBondContact O-CD2 3.35Å; T306-N432 HydrophobicContact CG2-CB 3.89Å
307H79.6Confident81.4Confident1 Ų139.3 Ų39.31%0.00523%0.233CC..THydrogen-bonded Turntrans-87.4-13.9179.9-63.4-65.1000113.5M304 S305 S309 M310 Y330 Y389 L393 L396M304-H307 PolarHBondContact O-N 3.41Å; M304-H307 VanDerWaalsContact O-N 3.12Å; S305-H307 PolarHBondContact O-N 3.44Å; H307-S309 PolarHBondContact O-N 3.04Å; H307-S309 VanDerWaalsContact O-N 3.13Å; H307-M310 WeakPolarHBondContact O-CB 3.34Å; H307-M310 PolarHBondContact O-N 3.2Å; H307-Y330 AromaticContact NE2-CD2 3.54Å; H307-Y330 AromaticContact NE2-CE2 3.73Å; H307-Y389 PolarHBondContact CE1-OH 3.09Å; H307-Y389 AromaticContact NE2-CZ 3.94Å; H307-Y389 PolarHBondContact NE2-OH 3.05Å; H307-L393 HydrophobicContact CB-CD2 3.6Å; H307-L393 VanDerWaalsContact CG-CD2 3.4Å; H307-L396 HydrophobicContact CB-CD1 3.51Å
308A70Confident80.2Confident11 Ų1142.5 Ų42.59%0.09126%0.257CS..THydrogen-bonded Turntrans-65.6-19.7-174.800000113.8M304 S305 A357 S399M304-A308 PolarHBondContact O-N 3.47Å; M304-A308 VanDerWaalsContact O-N 3.13Å; S305-A308 PolarHBondContact O-N 2.84Å; A308-A357 HydrophobicContact CB-CB 4.2Å; A308-S399 VanDerWaalsContact CB-N 3.26Å
309S66.2Low78.9Confident56 Ų5646.4 Ų46.439%0.39228%0.275SS..THydrogen-bonded Turntrans-89.4-1.9171.761.30000113.7H307 N311 S312 N315H307-S309 PolarHBondContact O-N 3.04Å; H307-S309 VanDerWaalsContact O-N 3.13Å; S309-N311 VanDerWaalsContact C-N 3.25Å; S309-N311 PolarHBondContact O-N 3.45Å; S309-N311 VanDerWaalsContact O-N 3.14Å; S309-S312 WeakPolarHBondContact O-CB 3.48Å; S309-S312 PolarHBondContact O-N 3.37Å; S309-N315 PolarHBondContact O-ND2 3.06Å
310M67.3Low77.6Confident51 Ų5151.2 Ų51.225%0.25130%0.297SS..THydrogen-bonded Turntrans-52.6-41.5-172.7-177.570.68900113H307 N315 L323 H327H307-M310 WeakPolarHBondContact O-CB 3.34Å; H307-M310 PolarHBondContact O-N 3.2Å; M310-N315 PolarHBondContact O-ND2 3.3Å; M310-L323 HydrophobicContact CB-CD2 4.38Å; M310-L323 HydrophobicContact CE-CB 3.86Å; M310-L323 HydrophobicContact CE-CD2 4.47Å; M310-L323 HydrophobicContact SD-CB 3.6Å; M310-L323 HydrophobicContact SD-CD1 4.14Å; M310-L323 HydrophobicContact SD-CD2 4.33Å; M310-L323 HydrophobicContact SD-CG 4.26Å; M310-H327 HydrophobicContact CE-CB 4.4Å
311N63.6Low76.3Confident95 Ų9555.6 Ų55.651%0.50832%0.319SS..THydrogen-bonded Turntrans-91.87.7-178-64.6-26000114.2S309 I313 T394S309-N311 VanDerWaalsContact C-N 3.25Å; S309-N311 PolarHBondContact O-N 3.45Å; S309-N311 VanDerWaalsContact O-N 3.14Å; N311-I313 PolarHBondContact O-N 2.77Å; N311-T394 PolarHBondContact ND2-O 3.13Å; N311-T394 VanDerWaalsContact ND2-O 3.09Å
312S65.9Low74.8Confident47 Ų4761.9 Ų61.933%0.32935%0.348SS..  trans-70120.7177.8-171.30000110.9S309 T314 N315S309-S312 WeakPolarHBondContact O-CB 3.48Å; S309-S312 PolarHBondContact O-N 3.37Å; S312-T314 PolarHBondContact O-N 3.01Å; S312-T314 PolarHBondContact OG-N 3.12Å; S312-T314 PolarHBondContact OG-OG1 2.87Å; S312-N315 WeakPolarHBondContact O-CB 3.13Å; S312-N315 VanDerWaalsContact O-CG 3.3Å; S312-N315 PolarHBondContact O-N 2.92Å; S312-N315 VanDerWaalsContact O-N 3.08Å; S312-N315 PolarHBondContact O-ND2 3.01Å
313I64.1Low73.4Confident175 Ų17562.4 Ų62.490%0.89735%0.351SS*.THydrogen-bonded Turntrans-58.2-20.6174.2-61.7165.9000111.3N311 N315N311-I313 PolarHBondContact O-N 2.77Å; I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 3.23Å
314T72.5Confident72.4Confident115 Ų11565.2 Ų65.271%0.70637%0.371SS*.THydrogen-bonded Turntrans-840.8-179.668.90000114.2S312 T316S312-T314 PolarHBondContact O-N 3.01Å; S312-T314 PolarHBondContact OG-N 3.12Å; S312-T314 PolarHBondContact OG-OG1 2.87Å; T314-T316 PolarHBondContact O-N 2.99Å
315N71.9Confident71.5Confident19 Ų1970.4 Ų70.410%0.10240%0.395CS..  trans-67.5127.5-178.7-72.5-18.1000111S309 M310 S312 I313 Q319 Q320 L323S309-N315 PolarHBondContact O-ND2 3.06Å; M310-N315 PolarHBondContact O-ND2 3.3Å; S312-N315 WeakPolarHBondContact O-CB 3.13Å; S312-N315 VanDerWaalsContact O-CG 3.3Å; S312-N315 PolarHBondContact O-N 2.92Å; S312-N315 VanDerWaalsContact O-N 3.08Å; S312-N315 PolarHBondContact O-ND2 3.01Å; I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 3.23Å; N315-Q319 HydrophobicContact CB-CB 4.26Å; N315-Q320 HydrophobicContact CB-CG 3.92Å; N315-L323 WeakPolarHBondContact ND2-CD1 3.16Å
316T76.8Confident70.6Confident66 Ų6670.1 Ų70.141%0.40539%0.393SS..  trans-65.4156.7168.161.50000110.7T314 S318 Q319 Q320T314-T316 PolarHBondContact O-N 2.99Å; T316-S318 PolarHBondContact O-N 2.94Å; T316-Q319 WeakPolarHBondContact O-CB 3.36Å; T316-Q319 PolarHBondContact O-N 3.3Å; T316-Q319 VanDerWaalsContact OG1-CG 3.28Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.1Å; T316-Q319 PolarHBondContact OG1-N 2.66Å; T316-Q319 PolarHBondContact OG1-OE1 3.11Å; T316-Q319 VanDerWaalsContact OG1-OE1 3.13Å; T316-Q320 PolarHBondContact O-N 2.79Å
317P75Confident70.4Confident95 Ų9570.4 Ų70.462%0.61739%0.392SS*.Hα-helixtrans-53.1-37.8174.2-28.235.6000113.2Q320 I321P317-Q320 PolarHBondContact O-N 2.88Å; P317-I321 WeakPolarHBondContact O-CG1 3.12Å; P317-I321 PolarHBondContact O-N 3.11Å
318S71.9Confident70.5Confident90 Ų9073.8 Ų73.863%0.62941%0.413SS*.Hα-helixtrans-63-42175.5-56.30000112.6T316 I321 E322T316-S318 PolarHBondContact O-N 2.94Å; S318-I321 PolarHBondContact O-N 3.2Å; S318-E322 PolarHBondContact O-N 3.44Å
319Q69.9Low71.5Confident83 Ų8374.1 Ų74.139%0.38841%0.413SS..Hα-helixtrans-66.1-38.7175.6-74.8164.9-26.600111.8N315 T316 I321 E322 L323N315-Q319 HydrophobicContact CB-CB 4.26Å; T316-Q319 WeakPolarHBondContact O-CB 3.36Å; T316-Q319 PolarHBondContact O-N 3.3Å; T316-Q319 VanDerWaalsContact OG1-CG 3.28Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.1Å; T316-Q319 PolarHBondContact OG1-N 2.66Å; T316-Q319 PolarHBondContact OG1-OE1 3.11Å; T316-Q319 VanDerWaalsContact OG1-OE1 3.13Å; Q319-I321 VanDerWaalsContact C-N 3.33Å; Q319-I321 PolarHBondContact O-N 3.14Å; Q319-E322 PolarHBondContact O-N 2.9Å; Q319-L323 WeakPolarHBondContact O-CB 3.3Å; Q319-L323 WeakPolarHBondContact O-CD1 3.34Å; Q319-L323 VanDerWaalsContact O-CG 3.23Å; Q319-L323 WeakPolarHBondContact O-CG 3.35Å; Q319-L323 PolarHBondContact O-N 3.14Å
320Q70.2Confident72.8Confident112 Ų11271.5 Ų71.552%0.52339%0.394SS..Hα-helixtrans-62.9-40174.9-69.1-179-12.400112N315 T316 P317 S324N315-Q320 HydrophobicContact CB-CG 3.92Å; T316-Q320 PolarHBondContact O-N 2.79Å; P317-Q320 PolarHBondContact O-N 2.88Å; Q320-S324 WeakPolarHBondContact O-CB 3.38Å; Q320-S324 PolarHBondContact O-N 3.38Å
321I71.2Confident74Confident92 Ų9270.6 Ų70.647%0.47239%0.389SS..Hα-helixtrans-63.3-49.1174.9-67.7165000110.4P317 S318 Q319 L323 S324 Q325P317-I321 WeakPolarHBondContact O-CG1 3.12Å; P317-I321 PolarHBondContact O-N 3.11Å; S318-I321 PolarHBondContact O-N 3.2Å; Q319-I321 VanDerWaalsContact C-N 3.33Å; Q319-I321 PolarHBondContact O-N 3.14Å; I321-L323 VanDerWaalsContact C-N 3.32Å; I321-L323 PolarHBondContact O-N 3.43Å; I321-S324 PolarHBondContact O-N 3.38Å; I321-S324 PolarHBondContact O-OG 3.39Å; I321-Q325 HydrophobicContact CG2-CG 4.48Å; I321-Q325 WeakPolarHBondContact O-CG 3.43Å; I321-Q325 PolarHBondContact O-N 3.33Å
322E68.2Low75.3Confident131 Ų13167 Ų6761%0.61237%0.371SS*.Hα-helixtrans-58.3-43.5178.5-174.9175.6-17100112.2S318 Q319 Q325 S326S318-E322 PolarHBondContact O-N 3.44Å; Q319-E322 PolarHBondContact O-N 2.9Å; E322-Q325 PolarHBondContact O-N 3.31Å; E322-S326 WeakPolarHBondContact O-CB 3.32Å; E322-S326 PolarHBondContact O-N 3.27Å
323L65.8Low76.6Confident11 Ų1164.8 Ų64.86%0.05836%0.355CS..Hα-helixtrans-62.2-42.8175.5-77.5162.5000112.5T306 M310 N315 Q319 I321 Q325 S326 H327T306-L323 WeakPolarHBondContact O-CD2 3.35Å; M310-L323 HydrophobicContact CB-CD2 4.38Å; M310-L323 HydrophobicContact CE-CB 3.86Å; M310-L323 HydrophobicContact CE-CD2 4.47Å; M310-L323 HydrophobicContact SD-CB 3.6Å; M310-L323 HydrophobicContact SD-CD1 4.14Å; M310-L323 HydrophobicContact SD-CD2 4.33Å; M310-L323 HydrophobicContact SD-CG 4.26Å; N315-L323 WeakPolarHBondContact ND2-CD1 3.16Å; Q319-L323 WeakPolarHBondContact O-CB 3.3Å; Q319-L323 WeakPolarHBondContact O-CD1 3.34Å; Q319-L323 VanDerWaalsContact O-CG 3.23Å; Q319-L323 WeakPolarHBondContact O-CG 3.35Å; Q319-L323 PolarHBondContact O-N 3.14Å; I321-L323 VanDerWaalsContact C-N 3.32Å; I321-L323 PolarHBondContact O-N 3.43Å; L323-Q325 VanDerWaalsContact C-N 3.35Å; L323-S326 PolarHBondContact O-N 3.38Å; L323-H327 PolarHBondContact O-N 2.86Å
324S71.5Confident78.1Confident60 Ų6056.5 Ų56.542%0.4231%0.313SS..Hα-helixtrans-64-39.6176.175.90000112Q320 I321 H327 T328Q320-S324 WeakPolarHBondContact O-CB 3.38Å; Q320-S324 PolarHBondContact O-N 3.38Å; I321-S324 PolarHBondContact O-N 3.38Å; I321-S324 PolarHBondContact O-OG 3.39Å; S324-H327 WeakPolarHBondContact O-CB 3.33Å; S324-H327 PolarHBondContact O-N 3.44Å; S324-T328 WeakPolarHBondContact O-CG2 3.4Å; S324-T328 PolarHBondContact O-N 3.22Å
325Q70.8Confident79.1Confident108 Ų10853.5 Ų53.551%0.50529%0.291SS..Hα-helixtrans-66-49.6175.9-73178-10.600110.6I321 E322 L323 H327 T328 E329I321-Q325 HydrophobicContact CG2-CG 4.48Å; I321-Q325 WeakPolarHBondContact O-CG 3.43Å; I321-Q325 PolarHBondContact O-N 3.33Å; E322-Q325 PolarHBondContact O-N 3.31Å; L323-Q325 VanDerWaalsContact C-N 3.35Å; Q325-H327 VanDerWaalsContact C-N 3.26Å; Q325-H327 PolarHBondContact O-N 3.43Å; Q325-T328 WeakPolarHBondContact O-CA 3.34Å; Q325-T328 PolarHBondContact O-N 3.19Å; Q325-T328 PolarHBondContact O-OG1 2.99Å; Q325-E329 WeakPolarHBondContact O-CG 3.4Å; Q325-E329 PolarHBondContact O-N 3.46Å
326S70.5Confident80Confident20 Ų2052.7 Ų52.714%0.1429%0.287CS..Hα-helixtrans-50.6-48.9175.2-175.40000110.9E322 L323 T328 E329 Y330E322-S326 WeakPolarHBondContact O-CB 3.32Å; E322-S326 PolarHBondContact O-N 3.27Å; L323-S326 PolarHBondContact O-N 3.38Å; S326-T328 VanDerWaalsContact C-N 3.3Å; S326-T328 PolarHBondContact O-N 2.63Å; S326-E329 WeakPolarHBondContact O-CB 3.36Å; S326-E329 PolarHBondContact O-N 2.92Å; S326-Y330 VanDerWaalsContact O-CD2 3.31Å; S326-Y330 WeakPolarHBondContact O-CD2 2.92Å; S326-Y330 PolarHBondContact O-N 2.92Å; S326-Y330 VanDerWaalsContact O-N 3.1Å
327H75.3Confident80.8Confident40 Ų4049.6 Ų49.619%0.18527%0.268CS..Hα-helixtrans-53.9-46.7177.3175.249.1000112.3M310 L323 S324 Q325 E329 Y330 E331 Y389 L393M310-H327 HydrophobicContact CE-CB 4.4Å; L323-H327 PolarHBondContact O-N 2.86Å; S324-H327 WeakPolarHBondContact O-CB 3.33Å; S324-H327 PolarHBondContact O-N 3.44Å; Q325-H327 VanDerWaalsContact C-N 3.26Å; Q325-H327 PolarHBondContact O-N 3.43Å; H327-E329 VanDerWaalsContact C-N 3.31Å; H327-E329 PolarHBondContact O-N 3.27Å; H327-Y330 PolarHBondContact O-N 3.18Å; H327-E331 IonicContact CE1-OE1 3.18Å; H327-E331 PolarHBondContact CE1-OE1 3.4Å; H327-E331 IonicContact ND1-OE1 3.7Å; H327-E331 IonicContact NE2-OE1 3.3Å; H327-E331 PolarHBondContact NE2-OE1 2.94Å; H327-E331 WeakPolarHBondContact O-CG 3.47Å; H327-E331 PolarHBondContact O-N 3.26Å; H327-E331 VanDerWaalsContact O-N 3.16Å; H327-Y389 AromaticContact CE1-CE1 3.55Å; H327-Y389 AromaticContact ND1-CE1 3.25Å; H327-Y389 WeakPolarHBondContact ND1-CE1 3.47Å; H327-Y389 AromaticContact ND1-CZ 3.66Å; H327-Y389 PolarHBondContact ND1-OH 2.74Å; H327-L393 WeakPolarHBondContact CE1-CD1 3.13Å; H327-L393 WeakPolarHBondContact ND1-CD1 3.43Å
328T82.6Confident81.8Confident72 Ų7245.1 Ų45.144%0.44224%0.239SC..Hα-helixtrans-64.2-33.2176.565.10000113.3S324 Q325 S326 V332S324-T328 WeakPolarHBondContact O-CG2 3.4Å; S324-T328 PolarHBondContact O-N 3.22Å; Q325-T328 WeakPolarHBondContact O-CA 3.34Å; Q325-T328 PolarHBondContact O-N 3.19Å; Q325-T328 PolarHBondContact O-OG1 2.99Å; S326-T328 VanDerWaalsContact C-N 3.3Å; S326-T328 PolarHBondContact O-N 2.63Å; T328-V332 WeakPolarHBondContact O-CB 3.42Å; T328-V332 VanDerWaalsContact O-CG2 3.23Å; T328-V332 WeakPolarHBondContact O-CG2 3.21Å; T328-V332 PolarHBondContact O-N 2.8Å
329E90Very high82.8Confident18 Ų1843.3 Ų43.38%0.08422%0.22CC..Hα-helixtrans-67.1-46.3178.2-54.2-164.9164.500111.4Q325 S326 H327 E331 V332 A333 V460 G461 M495 R496 W511Q325-E329 WeakPolarHBondContact O-CG 3.4Å; Q325-E329 PolarHBondContact O-N 3.46Å; S326-E329 WeakPolarHBondContact O-CB 3.36Å; S326-E329 PolarHBondContact O-N 2.92Å; H327-E329 VanDerWaalsContact C-N 3.31Å; H327-E329 PolarHBondContact O-N 3.27Å; E329-E331 VanDerWaalsContact C-N 3.33Å; E329-E331 PolarHBondContact O-N 3.34Å; E329-V332 PolarHBondContact O-N 3.36Å; E329-A333 WeakPolarHBondContact O-CB 3.42Å; E329-A333 PolarHBondContact O-N 2.79Å; E329-V460 HydrophobicContact CB-CG1 3.44Å; E329-V460 VanDerWaalsContact CB-CG1 3.44Å; E329-V460 HydrophobicContact CG-CG1 4.48Å; E329-V460 WeakPolarHBondContact OE2-CG1 3.45Å; E329-G461 WeakPolarHBondContact OE2-CA 3.32Å; E329-G461 PolarHBondContact OE2-N 2.83Å; E329-M495 HydrophobicContact CB-CE 4.25Å; E329-M495 HydrophobicContact CB-SD 4.01Å; E329-M495 WeakPolarHBondContact O-CE 3.45Å; E329-R496 IonicContact OE1-NE 2.74Å; E329-W511 HydrophobicContact CB-CZ2 4.28Å; E329-W511 HydrophobicContact CG-CZ2 3.7Å
330Y92.8Very high84Confident1 Ų139.8 Ų39.80%0.00420%0.204CC..Hα-helixtrans-61.6-40.2176.7-81-94.9000111.9V302 D303 H307 S326 H327 A333 I334 Y389 L430 V460V302-Y330 HydrophobicContact CG1-CD1 3.57Å; V302-Y330 HydrophobicContact CG1-CE1 3.8Å; D303-Y330 HydrophobicContact CB-CE1 4.48Å; D303-Y330 PolarHBondContact O-OH 2.89Å; H307-Y330 AromaticContact NE2-CD2 3.54Å; H307-Y330 AromaticContact NE2-CE2 3.73Å; S326-Y330 VanDerWaalsContact O-CD2 3.31Å; S326-Y330 WeakPolarHBondContact O-CD2 2.92Å; S326-Y330 PolarHBondContact O-N 2.92Å; S326-Y330 VanDerWaalsContact O-N 3.1Å; H327-Y330 PolarHBondContact O-N 3.18Å; Y330-A333 WeakPolarHBondContact O-CB 3.49Å; Y330-A333 PolarHBondContact O-N 3.25Å; Y330-I334 VanDerWaalsContact O-CG1 3.28Å; Y330-I334 WeakPolarHBondContact O-CG1 3.32Å; Y330-I334 PolarHBondContact O-N 3.31Å; Y330-Y389 WeakPolarHBondContact CB-OH 3.49Å; Y330-L430 HydrophobicContact CD1-CB 3.66Å; Y330-L430 HydrophobicContact CD1-CD1 3.96Å; Y330-L430 HydrophobicContact CD1-CG 4.47Å; Y330-L430 HydrophobicContact CE1-CB 3.65Å; Y330-V460 HydrophobicContact CD1-CG2 4.39Å; Y330-V460 HydrophobicContact CD2-CB 4.32Å; Y330-V460 HydrophobicContact CD2-CG1 3.61Å; Y330-V460 HydrophobicContact CE1-CB 4.41Å; Y330-V460 HydrophobicContact CE1-CG2 4.39Å; Y330-V460 HydrophobicContact CE2-CB 3.99Å; Y330-V460 HydrophobicContact CE2-CG1 3.6Å; Y330-V460 HydrophobicContact CG-CG1 4.15Å
331E92.7Very high85.3Confident32 Ų3234.5 Ų34.515%0.1518%0.179CC..Hα-helixtrans-63.9-43175.3-68.2-163.6162.900112.7H327 E329 A333 I334 Q335 L386 Y389 R390H327-E331 IonicContact CE1-OE1 3.18Å; H327-E331 PolarHBondContact CE1-OE1 3.4Å; H327-E331 IonicContact ND1-OE1 3.7Å; H327-E331 IonicContact NE2-OE1 3.3Å; H327-E331 PolarHBondContact NE2-OE1 2.94Å; H327-E331 WeakPolarHBondContact O-CG 3.47Å; H327-E331 PolarHBondContact O-N 3.26Å; H327-E331 VanDerWaalsContact O-N 3.16Å; E329-E331 VanDerWaalsContact C-N 3.33Å; E329-E331 PolarHBondContact O-N 3.34Å; E331-A333 VanDerWaalsContact C-N 3.3Å; E331-A333 PolarHBondContact O-N 3.28Å; E331-I334 PolarHBondContact O-N 3.34Å; E331-Q335 VanDerWaalsContact O-CB 3.32Å; E331-Q335 WeakPolarHBondContact O-CB 3.46Å; E331-Q335 PolarHBondContact O-N 3.37Å; E331-L386 HydrophobicContact CB-CD2 3.92Å; E331-L386 HydrophobicContact CG-CD2 4Å; E331-Y389 HydrophobicContact CG-CD1 4.11Å; E331-Y389 HydrophobicContact CG-CE1 3.84Å; E331-R390 VanDerWaalsContact CD-NH2 3.26Å; E331-R390 WeakPolarHBondContact OE1-CD 3.12Å; E331-R390 WeakPolarHBondContact OE1-CG 3.48Å; E331-R390 IonicContact OE1-CZ 2.74Å; E331-R390 VanDerWaalsContact OE1-CZ 3.3Å; E331-R390 IonicContact OE1-NE 3.97Å; E331-R390 PolarHBondContact OE1-NE 2.83Å; E331-R390 IonicContact OE1-NH2 2.8Å; E331-R390 PolarHBondContact OE1-NH2 3.35Å; E331-R390 IonicContact OE2-CZ 3.18Å; E331-R390 IonicContact OE2-NE 2.77Å; E331-R390 IonicContact OE2-NH2 2.96Å; E331-R390 PolarHBondContact OE2-NH2 2.68Å
332V91.2Very high86.5Confident21 Ų2131.5 Ų31.513%0.12716%0.163CC..Hα-helixtrans-64.8-38.2177171.40000110.8T328 E329 Q335 A336 M495 W511 K513T328-V332 WeakPolarHBondContact O-CB 3.42Å; T328-V332 VanDerWaalsContact O-CG2 3.23Å; T328-V332 WeakPolarHBondContact O-CG2 3.21Å; T328-V332 PolarHBondContact O-N 2.8Å; E329-V332 PolarHBondContact O-N 3.36Å; V332-Q335 PolarHBondContact O-N 3.44Å; V332-A336 VanDerWaalsContact O-CB 3.28Å; V332-A336 WeakPolarHBondContact O-CB 3.31Å; V332-A336 PolarHBondContact O-N 3.31Å; V332-M495 HydrophobicContact CB-CE 3.72Å; V332-M495 HydrophobicContact CG1-CE 3.58Å; V332-W511 HydrophobicContact CG1-CB 3.8Å; V332-W511 HydrophobicContact CG1-CD2 4.48Å; V332-W511 HydrophobicContact CG1-CG 3.78Å; V332-K513 HydrophobicContact CG1-CG 4.17Å
333A93.4Very high87.8Confident0 Ų026.7 Ų26.70%014%0.141CC..Hα-helixtrans-61.3-51.5174.200000112E329 Y330 E331 Q335 A336 V337 L430 L458 V460 M495E329-A333 WeakPolarHBondContact O-CB 3.42Å; E329-A333 PolarHBondContact O-N 2.79Å; Y330-A333 WeakPolarHBondContact O-CB 3.49Å; Y330-A333 PolarHBondContact O-N 3.25Å; E331-A333 VanDerWaalsContact C-N 3.3Å; E331-A333 PolarHBondContact O-N 3.28Å; A333-Q335 VanDerWaalsContact C-N 3.32Å; A333-Q335 PolarHBondContact O-N 3.35Å; A333-A336 PolarHBondContact O-N 2.85Å; A333-V337 PolarHBondContact O-N 3.16Å; A333-L430 HydrophobicContact CB-CD1 4.18Å; A333-L430 HydrophobicContact CB-CD2 3.97Å; A333-L458 HydrophobicContact CB-CD2 3.45Å; A333-L458 VanDerWaalsContact CB-CD2 3.45Å; A333-L458 HydrophobicContact CB-CG 4.31Å; A333-V460 HydrophobicContact CB-CG2 4.2Å; A333-M495 HydrophobicContact CB-CE 4.33Å; A333-M495 HydrophobicContact CB-SD 4Å
334I95.4Very high89.4Confident0 Ų026.4 Ų26.40%014%0.139CC..Hα-helixtrans-56.2-49.5175.2-67.4168.2000109.8V302 Y330 E331 A336 V337 M338 V385 L386 Y389 L430V302-I334 HydrophobicContact CG2-CD1 4.43Å; Y330-I334 VanDerWaalsContact O-CG1 3.28Å; Y330-I334 WeakPolarHBondContact O-CG1 3.32Å; Y330-I334 PolarHBondContact O-N 3.31Å; E331-I334 PolarHBondContact O-N 3.34Å; I334-A336 PolarHBondContact O-N 3.03Å; I334-V337 PolarHBondContact O-N 2.81Å; I334-M338 HydrophobicContact CG2-CG 4.12Å; I334-M338 HydrophobicContact CG2-SD 3.64Å; I334-M338 VanDerWaalsContact O-CB 3.27Å; I334-M338 WeakPolarHBondContact O-CB 3.3Å; I334-M338 WeakPolarHBondContact O-CG 3.36Å; I334-M338 PolarHBondContact O-N 3.14Å; I334-V385 HydrophobicContact CD1-CG1 4.34Å; I334-V385 HydrophobicContact CG2-CB 4.44Å; I334-V385 HydrophobicContact CG2-CG1 3.89Å; I334-L386 HydrophobicContact CB-CD2 3.91Å; I334-L386 HydrophobicContact CD1-CD2 4.19Å; I334-L386 HydrophobicContact CG2-CD2 3.81Å; I334-L386 HydrophobicContact CG2-CG 4.01Å; I334-Y389 HydrophobicContact CD1-CD1 4.29Å; I334-Y389 HydrophobicContact CD1-CG 4.25Å; I334-L430 HydrophobicContact CD1-CD1 4.13Å; I334-L430 HydrophobicContact CG1-CD1 3.43Å; I334-L430 VanDerWaalsContact CG1-CD1 3.43Å
335Q93.3Very high90.5Very high52 Ų5223.6 Ų23.624%0.24312%0.119CC..Hα-helixtrans-61.1-48.1-178.3-179.8173.2300111.7E331 V332 A333 V337 E339 M382 K513E331-Q335 VanDerWaalsContact O-CB 3.32Å; E331-Q335 WeakPolarHBondContact O-CB 3.46Å; E331-Q335 PolarHBondContact O-N 3.37Å; V332-Q335 PolarHBondContact O-N 3.44Å; A333-Q335 VanDerWaalsContact C-N 3.32Å; A333-Q335 PolarHBondContact O-N 3.35Å; Q335-V337 PolarHBondContact O-N 2.75Å; Q335-E339 PolarHBondContact NE2-OE2 2.96Å; Q335-E339 WeakPolarHBondContact O-CB 3.39Å; Q335-E339 PolarHBondContact O-N 3.23Å; Q335-M382 HydrophobicContact CB-SD 4.12Å; Q335-M382 HydrophobicContact CG-CE 4.3Å; Q335-M382 HydrophobicContact CG-SD 3.74Å; Q335-K513 VanDerWaalsContact NE2-NZ 3.11Å
336A91.6Very high91.6Very high3 Ų322 Ų223%0.02512%0.12CC..Hα-helixtrans-58.7-35.9-175.700000112.9V332 A333 I334 K513 L516 A517V332-A336 VanDerWaalsContact O-CB 3.28Å; V332-A336 WeakPolarHBondContact O-CB 3.31Å; V332-A336 PolarHBondContact O-N 3.31Å; A333-A336 PolarHBondContact O-N 2.85Å; I334-A336 PolarHBondContact O-N 3.03Å; A336-K513 HydrophobicContact CB-CB 4.5Å; A336-L516 HydrophobicContact CB-CD2 3.82Å; A336-L516 HydrophobicContact CB-CG 4.24Å; A336-A517 WeakPolarHBondContact O-CB 3.1Å
337V94.3Very high92.7Very high0 Ų025.5 Ų25.50%014%0.137CC..Hα-helixtrans-85.3-51.5-179.7-178.80000111.4A333 I334 Q335 E339 I340 L341 L428 L458 V520 L521A333-V337 PolarHBondContact O-N 3.16Å; I334-V337 PolarHBondContact O-N 2.81Å; Q335-V337 PolarHBondContact O-N 2.75Å; V337-E339 VanDerWaalsContact C-N 3.34Å; V337-E339 PolarHBondContact O-N 3.37Å; V337-I340 PolarHBondContact O-N 2.67Å; V337-L341 HydrophobicContact CG1-CD1 3.62Å; V337-L341 HydrophobicContact CG1-CG 4.16Å; V337-L341 PolarHBondContact O-N 2.98Å; V337-L428 HydrophobicContact CB-CD2 3.97Å; V337-L428 HydrophobicContact CG1-CD1 4.46Å; V337-L428 HydrophobicContact CG1-CD2 3.97Å; V337-L428 HydrophobicContact CG2-CD1 4.21Å; V337-L428 HydrophobicContact CG2-CD2 4.24Å; V337-L458 HydrophobicContact CG2-CD2 4.47Å; V337-V520 HydrophobicContact CG2-CB 4.44Å; V337-V520 HydrophobicContact CG2-CG1 3.59Å; V337-L521 HydrophobicContact CG1-CD2 4.26Å
338M95.6Very high93.7Very high1 Ų125.6 Ų25.61%0.00514%0.138CC..Hα-helixtrans-70.7-28.6-173.8-68.3-164.474.900113.1V300 I334 I340 Q342 F350 M382 V385V300-M338 HydrophobicContact CG2-SD 4.03Å; I334-M338 HydrophobicContact CG2-CG 4.12Å; I334-M338 HydrophobicContact CG2-SD 3.64Å; I334-M338 VanDerWaalsContact O-CB 3.27Å; I334-M338 WeakPolarHBondContact O-CB 3.3Å; I334-M338 WeakPolarHBondContact O-CG 3.36Å; I334-M338 PolarHBondContact O-N 3.14Å; M338-I340 PolarHBondContact O-N 2.86Å; M338-I340 VanDerWaalsContact O-N 3.07Å; M338-Q342 VanDerWaalsContact O-CB 3.26Å; M338-Q342 WeakPolarHBondContact O-CB 3.34Å; M338-Q342 VanDerWaalsContact O-CG 3.23Å; M338-Q342 WeakPolarHBondContact O-CG 3.26Å; M338-Q342 PolarHBondContact O-N 2.81Å; M338-Q342 VanDerWaalsContact O-N 3.1Å; M338-Q342 PolarHBondContact O-NE2 3.1Å; M338-F350 HydrophobicContact CE-CB 4Å; M338-F350 HydrophobicContact CE-CD1 3.85Å; M338-F350 HydrophobicContact CE-CD2 3.68Å; M338-F350 HydrophobicContact CE-CE1 4.29Å; M338-F350 HydrophobicContact CE-CE2 4.17Å; M338-F350 HydrophobicContact CE-CG 3.51Å; M338-F350 HydrophobicContact CE-CZ 4.44Å; M338-M382 HydrophobicContact CB-CB 3.83Å; M338-M382 HydrophobicContact CB-CG 3.79Å; M338-M382 HydrophobicContact CB-SD 4.32Å; M338-M382 HydrophobicContact CE-CB 4.37Å; M338-M382 HydrophobicContact SD-CB 4.37Å; M338-M382 HydrophobicContact SD-CG 4.48Å; M338-V385 HydrophobicContact CE-CB 4.2Å; M338-V385 HydrophobicContact CE-CG2 3.56Å; M338-V385 HydrophobicContact SD-CB 3.66Å; M338-V385 HydrophobicContact SD-CG1 3.85Å; M338-V385 HydrophobicContact SD-CG2 3.63Å
339E93.1Very high94.4Very high52 Ų5225.5 Ų25.524%0.24313%0.134CC..Hα-helixtrans-54.9-27.6176.6-179.8161.3-167.200112.7K67 Q335 V337 M382K67-E339 HydrophobicContact CD-CG 3.67Å; K67-E339 PolarHBondContact NZ-O 2.93Å; Q335-E339 PolarHBondContact NE2-OE2 2.96Å; Q335-E339 WeakPolarHBondContact O-CB 3.39Å; Q335-E339 PolarHBondContact O-N 3.23Å; V337-E339 VanDerWaalsContact C-N 3.34Å; V337-E339 PolarHBondContact O-N 3.37Å; E339-M382 HydrophobicContact CB-SD 4.05Å
340I95.1Very high94.8Very high10 Ų1024.7 Ų24.75%0.05113%0.13CC..Hα-helixtrans-100.2-56.5177.4-65.6155.6000111.1F64 E65 K67 V337 M338 Q342 E343 Y344 A517 L521F64-I340 WeakPolarHBondContact O-CG2 3.39Å; E65-I340 WeakPolarHBondContact O-CD1 3.43Å; K67-I340 HydrophobicContact CB-CG1 4.28Å; V337-I340 PolarHBondContact O-N 2.67Å; M338-I340 PolarHBondContact O-N 2.86Å; M338-I340 VanDerWaalsContact O-N 3.07Å; I340-Q342 PolarHBondContact O-N 2.79Å; I340-E343 WeakPolarHBondContact O-CB 3.48Å; I340-E343 WeakPolarHBondContact O-CG 3.23Å; I340-E343 PolarHBondContact O-N 2.91Å; I340-E343 VanDerWaalsContact O-N 3.09Å; I340-Y344 HydrophobicContact CG2-CE2 4.2Å; I340-A517 HydrophobicContact CD1-CB 3.55Å; I340-L521 HydrophobicContact CB-CD1 3.92Å; I340-L521 HydrophobicContact CD1-CD1 3.72Å; I340-L521 HydrophobicContact CG1-CD1 4.46Å; I340-L521 HydrophobicContact CG2-CD1 3.7Å
341L96.9Very high95Very high0 Ų025.6 Ų25.60%014%0.137CC..Hα-helixtrans-64.7-28.3-170-68.8-172.9000113.3F64 V298 V337 E343 Y344 V426 L521 L524F64-L341 HydrophobicContact CE1-CD2 4.22Å; F64-L341 HydrophobicContact CE2-CD2 4.27Å; F64-L341 HydrophobicContact CZ-CD2 3.51Å; V298-L341 HydrophobicContact CG2-CB 3.71Å; V298-L341 HydrophobicContact CG2-CD1 3.76Å; V298-L341 HydrophobicContact CG2-CG 4.37Å; V337-L341 HydrophobicContact CG1-CD1 3.62Å; V337-L341 HydrophobicContact CG1-CG 4.16Å; V337-L341 PolarHBondContact O-N 2.98Å; L341-E343 PolarHBondContact O-N 2.84Å; L341-E343 VanDerWaalsContact O-N 3.15Å; L341-Y344 PolarHBondContact O-N 3.24Å; L341-Y344 VanDerWaalsContact O-N 3.11Å; L341-V426 HydrophobicContact CD1-CG1 4.16Å; L341-L521 HydrophobicContact CD1-CD2 3.89Å; L341-L521 HydrophobicContact CD2-CD1 4.33Å; L341-L521 HydrophobicContact CD2-CD2 3.86Å; L341-L521 HydrophobicContact CG-CD1 4.44Å; L341-L521 HydrophobicContact CG-CD2 3.89Å; L341-L524 HydrophobicContact CD1-CD2 4.41Å; L341-L524 HydrophobicContact CD2-CD2 3.84Å
342Q96.6Very high95.3Very high29 Ų2924.1 Ų24.114%0.13613%0.129CC..G310 helixtrans-60.3-27.8178.281.5-166.5-75.100111.7M338 I340 Y344 D345 Q348 F350M338-Q342 VanDerWaalsContact O-CB 3.26Å; M338-Q342 WeakPolarHBondContact O-CB 3.34Å; M338-Q342 VanDerWaalsContact O-CG 3.23Å; M338-Q342 WeakPolarHBondContact O-CG 3.26Å; M338-Q342 PolarHBondContact O-N 2.81Å; M338-Q342 VanDerWaalsContact O-N 3.1Å; M338-Q342 PolarHBondContact O-NE2 3.1Å; I340-Q342 PolarHBondContact O-N 2.79Å; Q342-Y344 PolarHBondContact O-N 3.18Å; Q342-Y344 VanDerWaalsContact O-N 3.16Å; Q342-D345 PolarHBondContact O-N 3.15Å; Q342-Q348 PolarHBondContact O-NE2 3.24Å; Q342-Q348 PolarHBondContact O-OE1 3.07Å; Q342-F350 HydrophobicContact CB-CE1 4.39Å; Q342-F350 HydrophobicContact CB-CE2 4.08Å; Q342-F350 HydrophobicContact CB-CZ 3.57Å
343E96.3Very high95.5Very high30 Ų3023.5 Ų23.514%0.1413%0.125CC..G310 helixtrans-67.9-16.9-178.5-53.4-69.8158.100113.2K67 T94 I340 L341K67-E343 IonicContact NZ-OE1 3.82Å; K67-E343 PolarHBondContact NZ-OE1 2.87Å; T94-E343 HydrophobicContact CG2-CG 4.36Å; T94-E343 WeakPolarHBondContact CG2-OE2 3.45Å; T94-E343 PolarHBondContact OG1-OE2 2.82Å; I340-E343 WeakPolarHBondContact O-CB 3.48Å; I340-E343 WeakPolarHBondContact O-CG 3.23Å; I340-E343 PolarHBondContact O-N 2.91Å; I340-E343 VanDerWaalsContact O-N 3.09Å; L341-E343 PolarHBondContact O-N 2.84Å; L341-E343 VanDerWaalsContact O-N 3.15Å
344Y97.4Very high95.6Very high5 Ų523.5 Ų23.52%0.0213%0.125CC..G310 helixtrans-105.115.7-179.2-55.1-86.7000113.1Y62 F64 G96 H100 I290 I296 I340 L341 Q342Y62-Y344 WeakPolarHBondContact OH-CE1 3.05Å; Y62-Y344 VanDerWaalsContact OH-CZ 3.29Å; Y62-Y344 PolarHBondContact OH-OH 3.02Å; F64-Y344 HydrophobicContact CD2-CE1 4.42Å; F64-Y344 HydrophobicContact CD2-CE2 4.04Å; F64-Y344 AromaticContact CD2-CZ 3.91Å; F64-Y344 HydrophobicContact CE2-CD2 4.04Å; F64-Y344 HydrophobicContact CE2-CE1 4.46Å; F64-Y344 AromaticContact CE2-CE2 3.82Å; F64-Y344 HydrophobicContact CE2-CE2 3.82Å; F64-Y344 HydrophobicContact CE2-CG 4.45Å; G96-Y344 WeakPolarHBondContact CA-OH 3.48Å; H100-Y344 HydrophobicContact CB-CD1 4.46Å; H100-Y344 PolarHBondContact CE1-O 2.83Å; H100-Y344 VanDerWaalsContact CE1-O 3.3Å; I290-Y344 HydrophobicContact CG2-CD1 3.98Å; I290-Y344 HydrophobicContact CG2-CE1 4.4Å; I296-Y344 HydrophobicContact CD1-CG 4.28Å; I296-Y344 PolarHBondContact N-O 2.89Å; I340-Y344 HydrophobicContact CG2-CE2 4.2Å; L341-Y344 PolarHBondContact O-N 3.24Å; L341-Y344 VanDerWaalsContact O-N 3.11Å; Q342-Y344 PolarHBondContact O-N 3.18Å; Q342-Y344 VanDerWaalsContact O-N 3.16Å
345D96Very high95.5Very high2 Ų223.5 Ų23.51%0.01113%0.125CC..  trans-108130.2177.5-172.5-64.7000110R97 Q342 D347 Q348 F350R97-D345 PolarHBondContact NH1-O 3.48Å; Q342-D345 PolarHBondContact O-N 3.15Å; D345-D347 PolarHBondContact OD1-N 2.65Å; D345-D347 VanDerWaalsContact OD1-OD1 3.07Å; D345-Q348 PolarHBondContact O-NE2 3.03Å; D345-Q348 WeakPolarHBondContact OD1-CA 3.25Å; D345-Q348 PolarHBondContact OD1-N 3.34Å; D345-F350 HydrophobicContact CB-CE1 3.87Å; D345-F350 HydrophobicContact CB-CZ 3.73Å; D345-F350 WeakPolarHBondContact OD2-CE1 3.16Å
346S94Very high95.4Very high73 Ų7321.2 Ų21.251%0.5112%0.115SC..SBendtrans-71.3-38-175.1-67.60000114H100 S295H100-S346 PolarHBondContact NE2-N 2.8Å; H100-S346 PolarHBondContact NE2-OG 3.05Å; S295-S346 PolarHBondContact OG-N 2.86Å; S295-S346 PolarHBondContact OG-OG 3.4Å
347D93.8Very high95.2Very high94 Ų9421.2 Ų21.250%0.50312%0.115SC..SBendtrans-107.5-13.2-172.872.911.1000114.3D345 L349D345-D347 PolarHBondContact OD1-N 2.65Å; D345-D347 VanDerWaalsContact OD1-OD1 3.07Å; D347-L349 PolarHBondContact O-N 3.31Å; D347-L349 WeakPolarHBondContact OD1-CA 3.48Å; D347-L349 WeakPolarHBondContact OD1-CB 3.48Å; D347-L349 PolarHBondContact OD1-N 2.81Å
348Q95.5Very high94.6Very high42 Ų4225.4 Ų25.420%0.19613%0.133CC..  trans61.424-177.7-55.9-71.3-47.800113.6Q342 D345 F350 K380 G381Q342-Q348 PolarHBondContact O-NE2 3.24Å; Q342-Q348 PolarHBondContact O-OE1 3.07Å; D345-Q348 PolarHBondContact O-NE2 3.03Å; D345-Q348 WeakPolarHBondContact OD1-CA 3.25Å; D345-Q348 PolarHBondContact OD1-N 3.34Å; Q348-F350 VanDerWaalsContact C-CE2 3.42Å; Q348-F350 HydrophobicContact CB-CE2 4.29Å; Q348-F350 WeakPolarHBondContact O-CD2 3.22Å; Q348-F350 WeakPolarHBondContact O-CE2 3.41Å; Q348-K380 WeakPolarHBondContact O-CA 3.43Å; Q348-G381 PolarHBondContact O-N 2.85Å
349L97.2Very high93.8Very high71 Ų7128.2 Ų28.237%0.37215%0.15SC..EExtended strand (participates in β ladder)trans-108.9103.4-179.9-63.2179.9000110.6D347 P351 Y378 C379D347-L349 PolarHBondContact O-N 3.31Å; D347-L349 WeakPolarHBondContact OD1-CA 3.48Å; D347-L349 WeakPolarHBondContact OD1-CB 3.48Å; D347-L349 PolarHBondContact OD1-N 2.81Å; L349-P351 WeakPolarHBondContact O-CD 3.43Å; L349-Y378 HydrophobicContact CB-CD1 3.95Å; L349-C379 WeakPolarHBondContact CA-O 3.26Å
350F97.9Very high93.1Very high0 Ų028.8 Ų28.80%016%0.16CC..EExtended strand (participates in β ladder)trans-100.6115.1-172.6-58.8-81.2000111.1V298 M338 Q342 D345 Q348 A352 C379 V385V298-F350 HydrophobicContact CB-CD1 3.82Å; V298-F350 HydrophobicContact CB-CE1 4.06Å; V298-F350 HydrophobicContact CG2-CE1 4.32Å; M338-F350 HydrophobicContact CE-CB 4Å; M338-F350 HydrophobicContact CE-CD1 3.85Å; M338-F350 HydrophobicContact CE-CD2 3.68Å; M338-F350 HydrophobicContact CE-CE1 4.29Å; M338-F350 HydrophobicContact CE-CE2 4.17Å; M338-F350 HydrophobicContact CE-CG 3.51Å; M338-F350 HydrophobicContact CE-CZ 4.44Å; Q342-F350 HydrophobicContact CB-CE1 4.39Å; Q342-F350 HydrophobicContact CB-CE2 4.08Å; Q342-F350 HydrophobicContact CB-CZ 3.57Å; D345-F350 HydrophobicContact CB-CE1 3.87Å; D345-F350 HydrophobicContact CB-CZ 3.73Å; D345-F350 WeakPolarHBondContact OD2-CE1 3.16Å; Q348-F350 VanDerWaalsContact C-CE2 3.42Å; Q348-F350 HydrophobicContact CB-CE2 4.29Å; Q348-F350 WeakPolarHBondContact O-CD2 3.22Å; Q348-F350 WeakPolarHBondContact O-CE2 3.41Å; F350-A352 PolarHBondContact O-N 3.46Å; F350-C379 PolarHBondContact N-O 3.06Å; F350-C379 WeakPolarHBondContact O-CB 3.35Å; F350-C379 PolarHBondContact O-N 2.89Å; F350-V385 HydrophobicContact CB-CG2 3.9Å
351P97.8Very high92Very high21 Ų2132.3 Ų32.314%0.13619%0.186CC..EExtended strand (participates in β ladder)trans-60.7125.9169.3-21.933.7000110.5V299 V300 L349 F353 C377 Y378V299-P351 WeakPolarHBondContact CA-O 3.41Å; V299-P351 HydrophobicContact CG1-CB 4.22Å; V299-P351 HydrophobicContact CG2-CB 4.21Å; V299-P351 HydrophobicContact CG2-CG 4.1Å; V300-P351 PolarHBondContact N-O 3.1Å; L349-P351 WeakPolarHBondContact O-CD 3.43Å; P351-F353 HydrophobicContact CB-CE2 3.74Å; P351-F353 HydrophobicContact CB-CZ 4.44Å; P351-C377 CarbonylContact C-O 3.56Å; P351-C377 WeakPolarHBondContact CA-O 3.38Å; P351-C377 HydrophobicContact CB-CB 4.49Å; P351-Y378 HydrophobicContact CG-CD1 3.87Å; P351-Y378 HydrophobicContact CG-CE1 3.59Å
352A98.1Very high90.6Very high0 Ų036.2 Ų36.20%023%0.226CC..EExtended strand (participates in β ladder)trans-126.8126.4-179.700000111V300 F350 L371 C377 V385V300-A352 HydrophobicContact CB-CB 4.49Å; V300-A352 CarbonylContact O-C 3.53Å; V300-A352 VanDerWaalsContact O-CA 3.31Å; V300-A352 WeakPolarHBondContact O-CA 3.43Å; F350-A352 PolarHBondContact O-N 3.46Å; A352-L371 HydrophobicContact CB-CB 4.28Å; A352-L371 HydrophobicContact CB-CD1 4.02Å; A352-L371 HydrophobicContact CB-CG 4.41Å; A352-L371 PolarHBondContact O-N 2.85Å; A352-C377 PolarHBondContact N-O 2.94Å; A352-V385 HydrophobicContact CB-CG1 4.34Å; A352-V385 HydrophobicContact CB-CG2 4.37Å
353F96.8Very high89Confident8 Ų836.5 Ų36.54%0.03524%0.237CC..EExtended strand (participates in β ladder)trans-126.3141.7-175.2-62.6-86000111.5V299 V300 A301 V302 P351 R368 Y369 P370 C377 I407 E410V299-F353 HydrophobicContact CG1-CD2 3.97Å; V299-F353 HydrophobicContact CG1-CE2 4.01Å; V300-F353 PolarHBondContact O-N 3.48Å; A301-F353 CarbonylContact C-O 3.58Å; A301-F353 WeakPolarHBondContact CA-O 3.33Å; V302-F353 PolarHBondContact N-O 3.01Å; P351-F353 HydrophobicContact CB-CE2 3.74Å; P351-F353 HydrophobicContact CB-CZ 4.44Å; F353-R368 VanDerWaalsContact CE1-NH1 3.31Å; F353-Y369 CarbonylContact C-O 3.54Å; F353-Y369 VanDerWaalsContact CA-O 3.26Å; F353-Y369 WeakPolarHBondContact CA-O 3.45Å; F353-P370 HydrophobicContact CE1-CG 4.38Å; F353-C377 HydrophobicContact CE1-CB 3.84Å; F353-C377 HydrophobicContact CE2-CB 4.25Å; F353-C377 HydrophobicContact CZ-CB 3.68Å; F353-I407 HydrophobicContact CB-CD1 3.98Å; F353-I407 HydrophobicContact CD1-CD1 4.44Å; F353-I407 HydrophobicContact CD2-CD1 3.51Å; F353-I407 HydrophobicContact CE2-CD1 4.05Å; F353-I407 HydrophobicContact CG-CD1 3.72Å; F353-E410 HydrophobicContact CZ-CG 4.45Å
354G94.4Very high87.6Confident0 Ų044.6 Ų44.60%027%0.272CS..EExtended strand (participates in β ladder)trans-96.9150.9163.100000110.5V302 R368 Y369V302-G354 CarbonylContact O-C 3.5Å; V302-G354 WeakPolarHBondContact O-CA 3.44Å; G354-R368 CarbonylContact O-C 3.59Å; G354-R368 VanDerWaalsContact O-CA 3.31Å; G354-R368 WeakPolarHBondContact O-CA 3.37Å; G354-Y369 PolarHBondContact N-O 3.09Å; G354-Y369 WeakPolarHBondContact O-CD1 3.49Å; G354-Y369 PolarHBondContact O-N 3.29Å
355F94Very high86.2Confident1 Ų147.8 Ų47.80%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-145.6175.3170.264.2-88.8000110.3A301 V302 D303 M304 A357 H367 I402 F404 I429A301-F355 HydrophobicContact CB-CD1 4.11Å; A301-F355 HydrophobicContact CB-CE1 3.8Å; V302-F355 WeakPolarHBondContact O-CD1 3.21Å; V302-F355 PolarHBondContact O-N 2.74Å; D303-F355 HydrophobicContact CB-CD2 4.38Å; D303-F355 HydrophobicContact CB-CE1 4.31Å; D303-F355 HydrophobicContact CB-CE2 3.55Å; D303-F355 HydrophobicContact CB-CZ 3.54Å; D303-F355 VanDerWaalsContact N-CE1 3.33Å; M304-F355 PolarHBondContact N-O 3.19Å; F355-A357 VanDerWaalsContact C-N 3.27Å; F355-A357 PolarHBondContact O-N 3.38Å; F355-H367 WeakPolarHBondContact CB-O 3.48Å; F355-I402 HydrophobicContact CD2-CG2 4.16Å; F355-I402 HydrophobicContact CE2-CG2 3.71Å; F355-F404 AromaticContact CE2-CD1 4Å; F355-F404 HydrophobicContact CE2-CD1 4Å; F355-F404 AromaticContact CE2-CE1 3.64Å; F355-F404 HydrophobicContact CE2-CE1 3.64Å; F355-F404 HydrophobicContact CZ-CD1 4.19Å; F355-F404 AromaticContact CZ-CE1 3.77Å; F355-F404 HydrophobicContact CZ-CE1 3.77Å; F355-I429 HydrophobicContact CE1-CG2 4.12Å; F355-I429 HydrophobicContact CZ-CG2 3.77Å
356G90.8Very high85.2Confident3 Ų350.8 Ų50.83%0.03131%0.31CS..SBendtrans75.86.9176.600000115.7S305 G400S305-G356 VanDerWaalsContact CA-O 3.3Å; S305-G356 WeakPolarHBondContact CA-O 3.35Å; S305-G356 WeakPolarHBondContact CB-O 3.44Å; G356-G400 PolarHBondContact O-N 3.43Å
357A87.8Confident84.8Confident3 Ų351.1 Ų51.13%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-143157.6176.600000112.2M304 A308 F355 Y369 L396 S398M304-A357 HydrophobicContact CB-CB 3.86Å; A308-A357 HydrophobicContact CB-CB 4.2Å; F355-A357 VanDerWaalsContact C-N 3.27Å; F355-A357 PolarHBondContact O-N 3.38Å; A357-Y369 WeakPolarHBondContact O-CE1 3.49Å; A357-L396 HydrophobicContact CB-CD2 4.05Å; A357-S398 CarbonylContact C-O 3.57Å; A357-S398 WeakPolarHBondContact CA-O 3.28Å
358K81.1Confident84.6Confident88 Ų8849.9 Ų49.938%0.38329%0.291SS..EExtended strand (participates in β ladder)trans-91129.4167.6-64.6-177.9-174.9168.80109.1L365 Y397 S398K358-L365 HydrophobicContact CG-CD1 4.29Å; K358-Y397 HydrophobicContact CB-CD1 4.46Å; K358-Y397 WeakPolarHBondContact O-CB 3.46Å; K358-Y397 PolarHBondContact O-N 2.99Å; K358-S398 PolarHBondContact N-O 3.24Å
359V78.6Confident84.4Confident60 Ų6048.8 Ų48.836%0.36429%0.285SS..SBendtrans-90.6-10.9178.8-170.70000112.3Y369 D395V359-Y369 HydrophobicContact CG2-CD1 3.56Å; V359-Y369 HydrophobicContact CG2-CD2 3.6Å; V359-Y369 HydrophobicContact CG2-CE1 3.48Å; V359-Y369 VanDerWaalsContact CG2-CE1 3.48Å; V359-Y369 HydrophobicContact CG2-CE2 3.53Å; V359-Y369 HydrophobicContact CG2-CG 3.59Å; V359-Y369 VanDerWaalsContact CG2-CZ 3.44Å; V359-D395 HydrophobicContact CG1-CB 4.36Å; V359-D395 VanDerWaalsContact O-O 3.1Å
360S78.4Confident84.3Confident64 Ų6447.1 Ų47.145%0.44828%0.279SS..SBendtrans-145148.1178.958.90000112.8G362 G363S360-G362 PolarHBondContact O-N 3.46Å; S360-G363 WeakPolarHBondContact OG-CA 3.33Å
361S71.6Confident84Confident85 Ų8547.4 Ų47.459%0.59428%0.281SS*.THydrogen-bonded Turntrans-67.3120172.3-174.70000109.7G363 Y397S361-G363 PolarHBondContact O-N 3.11Å; S361-Y397 PolarHBondContact OG-OH 3.42Å
362G68.1Low83.7Confident82 Ų8248.1 Ų48.185%0.84528%0.284SS*.THydrogen-bonded Turntrans714.317800000116.3S360S360-G362 PolarHBondContact O-N 3.46Å
363G63.7Low83.3Confident35 Ų3551.7 Ų51.736%0.36130%0.304SS..  trans-68.2157.8175.900000113.2S360 S361 L365S360-G363 WeakPolarHBondContact OG-CA 3.33Å; S361-G363 PolarHBondContact O-N 3.11Å; G363-L365 PolarHBondContact O-N 3.27Å
364K66.9Low82.8Confident200 Ų20057.7 Ų57.787%0.8734%0.341SS*.  trans-53.2130.6169.9-176.5178.6178.6-178.10108.7S366K364-S366 PolarHBondContact O-N 3.21Å
365L68.6Low82.6Confident72 Ų7265.2 Ų65.238%0.37738%0.381SS..  trans-56.8114175.4-177.266.2000108.8K358 G363 H367 P401K358-L365 HydrophobicContact CG-CD1 4.29Å; G363-L365 PolarHBondContact O-N 3.27Å; L365-H367 WeakPolarHBondContact CD2-CE1 3.43Å; L365-P401 HydrophobicContact CD2-CG 4.33Å
366S74.7Confident82.6Confident65 Ų6568 Ų6846%0.45540%0.396SS..  trans-101.7115.1173.3-155.60000108K364 R368K364-S366 PolarHBondContact O-N 3.21Å; S366-R368 PolarHBondContact O-N 3.08Å; S366-R368 PolarHBondContact OG-O 3.41Å
367H85.5Confident82.8Confident79 Ų7968.9 Ų68.937%0.36640%0.401SS..SBendtrans-74.2-11.9-177.4-58.5-66.3000113.5F355 L365 L403 P406F355-H367 WeakPolarHBondContact CB-O 3.48Å; L365-H367 WeakPolarHBondContact CD2-CE1 3.43Å; H367-L403 HydrophobicContact CB-CD1 4.1Å; H367-L403 WeakPolarHBondContact ND1-CD1 3.42Å; H367-P406 HydrophobicContact CB-CB 4.2Å; H367-P406 HydrophobicContact CB-CG 3.86Å
368R89.2Confident83.2Confident69 Ų6974.2 Ų74.226%0.2642%0.421SS..SBendtrans-150.2154.6166.261177.5-179.6100.13.9108.1F353 G354 S366 E410F353-R368 VanDerWaalsContact CE1-NH1 3.31Å; G354-R368 CarbonylContact O-C 3.59Å; G354-R368 VanDerWaalsContact O-CA 3.31Å; G354-R368 WeakPolarHBondContact O-CA 3.37Å; S366-R368 PolarHBondContact O-N 3.08Å; S366-R368 PolarHBondContact OG-O 3.41Å; R368-E410 IonicContact CZ-OE1 3.22Å; R368-E410 IonicContact CZ-OE2 3.25Å; R368-E410 VanDerWaalsContact CZ-OE2 3.25Å; R368-E410 IonicContact NE-OE2 3.01Å; R368-E410 IonicContact NH1-OE1 2.76Å; R368-E410 PolarHBondContact NH1-OE1 3.11Å; R368-E410 IonicContact NH1-OE2 3.63Å; R368-E410 IonicContact NH2-OE1 3.02Å; R368-E410 PolarHBondContact NH2-OE1 3.16Å; R368-E410 IonicContact NH2-OE2 2.66Å; R368-E410 PolarHBondContact NH2-OE2 2.9Å
369Y91.3Very high84.1Confident18 Ų1870.2 Ų70.27%0.07141%0.405CS..EExtended strand (participates in β ladder)trans-148.8144.8174.350.7-92.5000110.3M304 F353 G354 A357 V359 L371 C392 L396M304-Y369 WeakPolarHBondContact CB-OH 3.04Å; M304-Y369 WeakPolarHBondContact CG-OH 3.23Å; F353-Y369 CarbonylContact C-O 3.54Å; F353-Y369 VanDerWaalsContact CA-O 3.26Å; F353-Y369 WeakPolarHBondContact CA-O 3.45Å; G354-Y369 PolarHBondContact N-O 3.09Å; G354-Y369 WeakPolarHBondContact O-CD1 3.49Å; G354-Y369 PolarHBondContact O-N 3.29Å; A357-Y369 WeakPolarHBondContact O-CE1 3.49Å; V359-Y369 HydrophobicContact CG2-CD1 3.56Å; V359-Y369 HydrophobicContact CG2-CD2 3.6Å; V359-Y369 HydrophobicContact CG2-CE1 3.48Å; V359-Y369 VanDerWaalsContact CG2-CE1 3.48Å; V359-Y369 HydrophobicContact CG2-CE2 3.53Å; V359-Y369 HydrophobicContact CG2-CG 3.59Å; V359-Y369 VanDerWaalsContact CG2-CZ 3.44Å; Y369-L371 HydrophobicContact CE2-CD2 4.19Å; Y369-C392 VanDerWaalsContact CE2-SG 3.56Å; Y369-L396 WeakPolarHBondContact OH-CD2 3.49Å
370P94Very high84.9Confident36 Ų3675.5 Ų75.523%0.23442%0.423CS..EExtended strand (participates in β ladder)trans-62.9137176.8-19.431.1000111.7F353 V372 N373 N376 C377F353-P370 HydrophobicContact CE1-CG 4.38Å; P370-V372 VanDerWaalsContact C-N 3.32Å; P370-N373 WeakPolarHBondContact CB-O 3.32Å; P370-N376 VanDerWaalsContact CB-O 3.3Å; P370-N376 WeakPolarHBondContact CB-O 2.99Å; P370-C377 HydrophobicContact CB-CB 3.87Å; P370-C377 HydrophobicContact CG-CB 4.35Å
371L93.1Very high85.8Confident7 Ų772.9 Ų72.94%0.03741%0.406CS..SBendtrans-74.7-20.3178.1-67.8-178.4000113.4V302 A352 Y369 A388 C392V302-L371 HydrophobicContact CB-CD1 4.48Å; V302-L371 HydrophobicContact CG2-CD1 4Å; A352-L371 HydrophobicContact CB-CB 4.28Å; A352-L371 HydrophobicContact CB-CD1 4.02Å; A352-L371 HydrophobicContact CB-CG 4.41Å; A352-L371 PolarHBondContact O-N 2.85Å; Y369-L371 HydrophobicContact CE2-CD2 4.19Å; L371-A388 HydrophobicContact CB-CB 3.92Å; L371-C392 HydrophobicContact CD2-CB 3.91Å
372V92Very high86.9Confident35 Ų3570.2 Ų70.221%0.21238%0.384CS..SBendtrans-83-61.4-179.8-178.60000110.7P370 N376 C379 A388P370-V372 VanDerWaalsContact C-N 3.32Å; V372-N376 WeakPolarHBondContact CB-O 3.26Å; V372-C379 WeakPolarHBondContact CG2-SG 3.34Å; V372-A388 HydrophobicContact CG2-CB 3.91Å
373N88.7Confident88.3Confident76 Ų7671 Ų7141%0.40637%0.372SS..BIsolated β-bridgetrans-169.2171.6170.161.667.6000110.8P370 N375 N376P370-N373 WeakPolarHBondContact CB-O 3.32Å; N373-N375 PolarHBondContact O-N 3.09Å; N373-N375 WeakPolarHBondContact OD1-CA 3.23Å; N373-N375 PolarHBondContact OD1-N 3.36Å; N373-N376 PolarHBondContact N-O 3.36Å; N373-N376 CarbonylContact O-C 3.54Å; N373-N376 PolarHBondContact O-N 2.89Å; N373-N376 PolarHBondContact OD1-N 3.23Å; N373-N376 VanDerWaalsContact OD1-N 3.08Å
374V86.8Confident89.9Confident134 Ų13470.2 Ų70.281%0.81236%0.364SS*.THydrogen-bonded Turntrans-52-29.1-176.6179.80000114.4
375N90Very high91.3Very high157 Ų15760.7 Ų60.784%0.8432%0.323SS*.THydrogen-bonded Turntrans-101.1-7.3-175.9-60.8-32000113.9N373N373-N375 PolarHBondContact O-N 3.09Å; N373-N375 WeakPolarHBondContact OD1-CA 3.23Å; N373-N375 PolarHBondContact OD1-N 3.36Å
376N93.4Very high92.7Very high60 Ų6057.9 Ų57.932%0.32131%0.308SS..BIsolated β-bridgetrans-144.2128.2-175.6-176.121.5000111P370 V372 N373 Y378P370-N376 VanDerWaalsContact CB-O 3.3Å; P370-N376 WeakPolarHBondContact CB-O 2.99Å; V372-N376 WeakPolarHBondContact CB-O 3.26Å; N373-N376 PolarHBondContact N-O 3.36Å; N373-N376 CarbonylContact O-C 3.54Å; N373-N376 PolarHBondContact O-N 2.89Å; N373-N376 PolarHBondContact OD1-N 3.23Å; N373-N376 VanDerWaalsContact OD1-N 3.08Å; N376-Y378 PolarHBondContact ND2-O 2.73Å; N376-Y378 PolarHBondContact OD1-N 3.07Å
377C95.1Very high93.7Very high21 Ų2157 Ų5714%0.14230%0.302CS..  trans-104.6-11.717260.80000113.6P351 A352 F353 P370P351-C377 CarbonylContact C-O 3.56Å; P351-C377 WeakPolarHBondContact CA-O 3.38Å; P351-C377 HydrophobicContact CB-CB 4.49Å; A352-C377 PolarHBondContact N-O 2.94Å; F353-C377 HydrophobicContact CE1-CB 3.84Å; F353-C377 HydrophobicContact CE2-CB 4.25Å; F353-C377 HydrophobicContact CZ-CB 3.68Å; P370-C377 HydrophobicContact CB-CB 3.87Å; P370-C377 HydrophobicContact CG-CB 4.35Å
378Y97.5Very high94.1Very high116 Ų11653.3 Ų53.346%0.45529%0.285SS..EExtended strand (participates in β ladder)trans-81.8127.5-171.2-64.4-84.9000112.6L349 P351 N376L349-Y378 HydrophobicContact CB-CD1 3.95Å; P351-Y378 HydrophobicContact CG-CD1 3.87Å; P351-Y378 HydrophobicContact CG-CE1 3.59Å; N376-Y378 PolarHBondContact ND2-O 2.73Å; N376-Y378 PolarHBondContact OD1-N 3.07Å
379C98Very high94.4Very high4 Ų450 Ų503%0.02727%0.273CS..EExtended strand (participates in β ladder)trans-110.6136175.9-65.60000110.6L349 F350 V372 G381 V385L349-C379 WeakPolarHBondContact CA-O 3.26Å; F350-C379 PolarHBondContact N-O 3.06Å; F350-C379 WeakPolarHBondContact O-CB 3.35Å; F350-C379 PolarHBondContact O-N 2.89Å; V372-C379 WeakPolarHBondContact CG2-SG 3.34Å; C379-G381 PolarHBondContact O-N 2.7Å; C379-V385 HydrophobicContact CB-CB 4.33Å; C379-V385 HydrophobicContact CB-CG2 3.48Å; C379-V385 VanDerWaalsContact CB-CG2 3.48Å
380K96.7Very high94.4Very high171 Ų17154.4 Ų54.474%0.74329%0.289SS*.EExtended strand (participates in β ladder)trans-80.5107.5175.3-172.4176.2-177.1176.70111Q348 G384Q348-K380 WeakPolarHBondContact O-CA 3.43Å; K380-G384 WeakPolarHBondContact O-CA 3.33Å; K380-G384 PolarHBondContact O-N 2.99Å; K380-G384 VanDerWaalsContact O-N 3.1Å
381G96.4Very high94.1Very high9 Ų959.3 Ų59.39%0.09330%0.303CS..Hα-helixtrans63.6-179.6179.300000114.7Q348 C379 V383 G384 V385Q348-G381 PolarHBondContact O-N 2.85Å; C379-G381 PolarHBondContact O-N 2.7Å; G381-V383 VanDerWaalsContact C-N 3.29Å; G381-V383 PolarHBondContact O-N 3.34Å; G381-G384 PolarHBondContact O-N 3.28Å; G381-G384 VanDerWaalsContact O-N 3.13Å; G381-V385 PolarHBondContact O-N 3.38Å
382M95.8Very high93.8Very high28 Ų2859.3 Ų59.314%0.13830%0.303CS..Hα-helixtrans-55.9-41.6175.1177.4-174.575.600112.9Q335 M338 E339 G384 V385 L386Q335-M382 HydrophobicContact CB-SD 4.12Å; Q335-M382 HydrophobicContact CG-CE 4.3Å; Q335-M382 HydrophobicContact CG-SD 3.74Å; M338-M382 HydrophobicContact CB-CB 3.83Å; M338-M382 HydrophobicContact CB-CG 3.79Å; M338-M382 HydrophobicContact CB-SD 4.32Å; M338-M382 HydrophobicContact CE-CB 4.37Å; M338-M382 HydrophobicContact SD-CB 4.37Å; M338-M382 HydrophobicContact SD-CG 4.48Å; E339-M382 HydrophobicContact CB-SD 4.05Å; M382-G384 VanDerWaalsContact C-N 3.27Å; M382-G384 PolarHBondContact O-N 3.05Å; M382-V385 PolarHBondContact O-N 3.04Å; M382-L386 HydrophobicContact CG-CD1 4.03Å; M382-L386 WeakPolarHBondContact O-CG 3.37Å; M382-L386 PolarHBondContact O-N 3.46Å
383V96.1Very high93.4Very high99 Ų9958.3 Ų58.360%0.630%0.297SS*.Hα-helixtrans-61.6-38.4179.3178.80000110.9G381 S387G381-V383 VanDerWaalsContact C-N 3.29Å; G381-V383 PolarHBondContact O-N 3.34Å; V383-S387 VanDerWaalsContact O-CB 3.31Å; V383-S387 WeakPolarHBondContact O-CB 3.47Å; V383-S387 PolarHBondContact O-N 2.96Å; V383-S387 PolarHBondContact O-OG 3.26Å
384G97.6Very high93Very high19 Ų1959.2 Ų59.220%0.19631%0.305CS..Hα-helixtrans-62.9-45.717500000112.4K380 G381 M382 S387 A388K380-G384 WeakPolarHBondContact O-CA 3.33Å; K380-G384 PolarHBondContact O-N 2.99Å; K380-G384 VanDerWaalsContact O-N 3.1Å; G381-G384 PolarHBondContact O-N 3.28Å; G381-G384 VanDerWaalsContact O-N 3.13Å; M382-G384 VanDerWaalsContact C-N 3.27Å; M382-G384 PolarHBondContact O-N 3.05Å; G384-S387 PolarHBondContact O-N 2.83Å; G384-A388 WeakPolarHBondContact O-CB 3.3Å; G384-A388 PolarHBondContact O-N 3.28Å
385V98Very high92.7Very high0 Ų057.4 Ų57.40%029%0.291CS..Hα-helixtrans-63.4-47.6179.1175.50000111.1V300 I334 M338 F350 A352 C379 G381 M382 S387 A388 Y389V300-V385 HydrophobicContact CB-CG1 4.28Å; V300-V385 HydrophobicContact CG1-CG1 4.12Å; V300-V385 HydrophobicContact CG2-CG1 4.26Å; I334-V385 HydrophobicContact CD1-CG1 4.34Å; I334-V385 HydrophobicContact CG2-CB 4.44Å; I334-V385 HydrophobicContact CG2-CG1 3.89Å; M338-V385 HydrophobicContact CE-CB 4.2Å; M338-V385 HydrophobicContact CE-CG2 3.56Å; M338-V385 HydrophobicContact SD-CB 3.66Å; M338-V385 HydrophobicContact SD-CG1 3.85Å; M338-V385 HydrophobicContact SD-CG2 3.63Å; F350-V385 HydrophobicContact CB-CG2 3.9Å; A352-V385 HydrophobicContact CB-CG1 4.34Å; A352-V385 HydrophobicContact CB-CG2 4.37Å; C379-V385 HydrophobicContact CB-CB 4.33Å; C379-V385 HydrophobicContact CB-CG2 3.48Å; C379-V385 VanDerWaalsContact CB-CG2 3.48Å; G381-V385 PolarHBondContact O-N 3.38Å; M382-V385 PolarHBondContact O-N 3.04Å; V385-S387 VanDerWaalsContact C-N 3.3Å; V385-S387 PolarHBondContact O-N 2.6Å; V385-A388 PolarHBondContact O-N 2.79Å; V385-Y389 WeakPolarHBondContact O-CB 3.44Å; V385-Y389 PolarHBondContact O-N 3.3Å
386L96.6Very high92.3Very high13 Ų1350.6 Ų50.67%0.06825%0.254CS..Hα-helixtrans-59-42.2175.8-71.9169.6000111.7E331 I334 M382 R390E331-L386 HydrophobicContact CB-CD2 3.92Å; E331-L386 HydrophobicContact CG-CD2 4Å; I334-L386 HydrophobicContact CB-CD2 3.91Å; I334-L386 HydrophobicContact CD1-CD2 4.19Å; I334-L386 HydrophobicContact CG2-CD2 3.81Å; I334-L386 HydrophobicContact CG2-CG 4.01Å; M382-L386 HydrophobicContact CG-CD1 4.03Å; M382-L386 WeakPolarHBondContact O-CG 3.37Å; M382-L386 PolarHBondContact O-N 3.46Å; L386-R390 WeakPolarHBondContact O-CB 3.47Å; L386-R390 VanDerWaalsContact O-CG 3.27Å; L386-R390 WeakPolarHBondContact O-CG 3.12Å; L386-R390 PolarHBondContact O-N 3.24Å
387S95.6Very high91.6Very high47 Ų4753.9 Ų53.933%0.32926%0.263SS..Hα-helixtrans-65.6-40.7177.8-58.50000112.2V383 G384 V385 R391V383-S387 VanDerWaalsContact O-CB 3.31Å; V383-S387 WeakPolarHBondContact O-CB 3.47Å; V383-S387 PolarHBondContact O-N 2.96Å; V383-S387 PolarHBondContact O-OG 3.26Å; G384-S387 PolarHBondContact O-N 2.83Å; V385-S387 VanDerWaalsContact C-N 3.3Å; V385-S387 PolarHBondContact O-N 2.6Å; S387-R391 WeakPolarHBondContact O-CG 3.42Å; S387-R391 PolarHBondContact O-N 3.29Å; S387-R391 VanDerWaalsContact O-N 3.15Å
388A94.8Very high90.9Very high0 Ų054.5 Ų54.50%027%0.268CS..Hα-helixtrans-65.8-46176.800000111.8L371 V372 G384 V385 R391 C392L371-A388 HydrophobicContact CB-CB 3.92Å; V372-A388 HydrophobicContact CG2-CB 3.91Å; G384-A388 WeakPolarHBondContact O-CB 3.3Å; G384-A388 PolarHBondContact O-N 3.28Å; V385-A388 PolarHBondContact O-N 2.79Å; A388-R391 PolarHBondContact O-N 3.37Å; A388-C392 PolarHBondContact O-N 2.84Å; A388-C392 VanDerWaalsContact O-N 3.1Å
389Y94.3Very high90.3Very high0 Ų052.7 Ų52.70%027%0.272CS..Hα-helixtrans-56.4-51.6174.3168-112.8000111.9V302 M304 H307 H327 Y330 E331 I334 V385 R391 C392 L393V302-Y389 HydrophobicContact CB-CD2 4.47Å; V302-Y389 HydrophobicContact CG1-CD2 3.85Å; V302-Y389 HydrophobicContact CG1-CE2 3.7Å; V302-Y389 HydrophobicContact CG2-CD2 4.48Å; M304-Y389 HydrophobicContact CE-CD2 4.05Å; M304-Y389 HydrophobicContact CE-CE2 3.87Å; M304-Y389 HydrophobicContact SD-CD2 3.87Å; M304-Y389 HydrophobicContact SD-CE2 3.69Å; H307-Y389 PolarHBondContact CE1-OH 3.09Å; H307-Y389 AromaticContact NE2-CZ 3.94Å; H307-Y389 PolarHBondContact NE2-OH 3.05Å; H327-Y389 AromaticContact CE1-CE1 3.55Å; H327-Y389 AromaticContact ND1-CE1 3.25Å; H327-Y389 WeakPolarHBondContact ND1-CE1 3.47Å; H327-Y389 AromaticContact ND1-CZ 3.66Å; H327-Y389 PolarHBondContact ND1-OH 2.74Å; Y330-Y389 WeakPolarHBondContact CB-OH 3.49Å; E331-Y389 HydrophobicContact CG-CD1 4.11Å; E331-Y389 HydrophobicContact CG-CE1 3.84Å; I334-Y389 HydrophobicContact CD1-CD1 4.29Å; I334-Y389 HydrophobicContact CD1-CG 4.25Å; V385-Y389 WeakPolarHBondContact O-CB 3.44Å; V385-Y389 PolarHBondContact O-N 3.3Å; Y389-R391 VanDerWaalsContact C-N 3.34Å; Y389-R391 PolarHBondContact O-N 3.12Å; Y389-C392 PolarHBondContact O-N 2.89Å; Y389-C392 VanDerWaalsContact O-N 3.15Å; Y389-L393 HydrophobicContact CE1-CD1 4.23Å; Y389-L393 HydrophobicContact CE2-CD2 4.05Å; Y389-L393 HydrophobicContact CE2-CG 4.45Å; Y389-L393 PolarHBondContact O-N 3.31Å
390R91.7Very high89.7Confident110 Ų11053.4 Ų53.442%0.41528%0.28SS..Hα-helixtrans-55-45.6178-75.9169.9-176.7141.69.2113E331 L386 C392 L393E331-R390 VanDerWaalsContact CD-NH2 3.26Å; E331-R390 WeakPolarHBondContact OE1-CD 3.12Å; E331-R390 WeakPolarHBondContact OE1-CG 3.48Å; E331-R390 IonicContact OE1-CZ 2.74Å; E331-R390 VanDerWaalsContact OE1-CZ 3.3Å; E331-R390 IonicContact OE1-NE 3.97Å; E331-R390 PolarHBondContact OE1-NE 2.83Å; E331-R390 IonicContact OE1-NH2 2.8Å; E331-R390 PolarHBondContact OE1-NH2 3.35Å; E331-R390 IonicContact OE2-CZ 3.18Å; E331-R390 IonicContact OE2-NE 2.77Å; E331-R390 IonicContact OE2-NH2 2.96Å; E331-R390 PolarHBondContact OE2-NH2 2.68Å; L386-R390 WeakPolarHBondContact O-CB 3.47Å; L386-R390 VanDerWaalsContact O-CG 3.27Å; L386-R390 WeakPolarHBondContact O-CG 3.12Å; L386-R390 PolarHBondContact O-N 3.24Å; R390-C392 VanDerWaalsContact C-N 3.35Å; R390-L393 PolarHBondContact O-N 3.03Å
391R88.2Confident89.4Confident140 Ų14047.6 Ų47.653%0.52826%0.26SS..Hα-helixtrans-63.1-41.6178.7-73.8-172.6-53.3-157.31.6111.8S387 A388 Y389 L393 T394S387-R391 WeakPolarHBondContact O-CG 3.42Å; S387-R391 PolarHBondContact O-N 3.29Å; S387-R391 VanDerWaalsContact O-N 3.15Å; A388-R391 PolarHBondContact O-N 3.37Å; Y389-R391 VanDerWaalsContact C-N 3.34Å; Y389-R391 PolarHBondContact O-N 3.12Å; R391-L393 PolarHBondContact O-N 2.94Å; R391-T394 PolarHBondContact O-N 3.16Å; R391-T394 PolarHBondContact O-OG1 2.78Å
392C86.2Confident89.1Confident7 Ų747.4 Ų47.45%0.04726%0.257CS..Hα-helixtrans-65-25-176.2-1740000113.3M304 Y369 L371 A388 Y389 R390 T394 D395 L396M304-C392 HydrophobicContact CE-CB 4.37Å; Y369-C392 VanDerWaalsContact CE2-SG 3.56Å; L371-C392 HydrophobicContact CD2-CB 3.91Å; A388-C392 PolarHBondContact O-N 2.84Å; A388-C392 VanDerWaalsContact O-N 3.1Å; Y389-C392 PolarHBondContact O-N 2.89Å; Y389-C392 VanDerWaalsContact O-N 3.15Å; R390-C392 VanDerWaalsContact C-N 3.35Å; C392-T394 PolarHBondContact O-N 3.28Å; C392-D395 PolarHBondContact O-N 3.18Å; C392-D395 VanDerWaalsContact O-N 3.1Å; C392-L396 WeakPolarHBondContact O-CG 3.49Å
393L84.3Confident89.1Confident14 Ų1447.2 Ų47.27%0.07326%0.256CS..THydrogen-bonded Turntrans-60-26.9178.8-65.4167.8000113.6M304 H307 H327 Y389 R390 R391 D395M304-L393 HydrophobicContact CE-CD2 3.52Å; M304-L393 HydrophobicContact CE-CG 4.17Å; H307-L393 HydrophobicContact CB-CD2 3.6Å; H307-L393 VanDerWaalsContact CG-CD2 3.4Å; H327-L393 WeakPolarHBondContact CE1-CD1 3.13Å; H327-L393 WeakPolarHBondContact ND1-CD1 3.43Å; Y389-L393 HydrophobicContact CE1-CD1 4.23Å; Y389-L393 HydrophobicContact CE2-CD2 4.05Å; Y389-L393 HydrophobicContact CE2-CG 4.45Å; Y389-L393 PolarHBondContact O-N 3.31Å; R390-L393 PolarHBondContact O-N 3.03Å; R391-L393 PolarHBondContact O-N 2.94Å; L393-D395 VanDerWaalsContact C-N 3.33Å
394T80.6Confident89.2Confident94 Ų9442.6 Ų42.658%0.57723%0.228SC*.THydrogen-bonded Turntrans-79.2-17.8179.158.40000113.5N311 R391 C392N311-T394 PolarHBondContact ND2-O 3.13Å; N311-T394 VanDerWaalsContact ND2-O 3.09Å; R391-T394 PolarHBondContact O-N 3.16Å; R391-T394 PolarHBondContact O-OG1 2.78Å; C392-T394 PolarHBondContact O-N 3.28Å
395D80.1Confident89.2Confident96 Ų9642 Ų4251%0.51322%0.221SC..SBendtrans-103.85.1-168.4-58.6-15.6000112.7V359 C392 L393V359-D395 HydrophobicContact CG1-CB 4.36Å; V359-D395 VanDerWaalsContact O-O 3.1Å; C392-D395 PolarHBondContact O-N 3.18Å; C392-D395 VanDerWaalsContact O-N 3.1Å; L393-D395 VanDerWaalsContact C-N 3.33Å
396L80.8Confident89.1Confident14 Ų1443.4 Ų43.47%0.07323%0.23CC..  trans-78.7133.2-177.4-54.7178.2000111.5M304 H307 A357 Y369 C392M304-L396 HydrophobicContact CB-CD1 4.14Å; M304-L396 HydrophobicContact CB-CD2 4.18Å; M304-L396 HydrophobicContact CE-CD1 3.92Å; M304-L396 HydrophobicContact CE-CD2 4.34Å; H307-L396 HydrophobicContact CB-CD1 3.51Å; A357-L396 HydrophobicContact CB-CD2 4.05Å; Y369-L396 WeakPolarHBondContact OH-CD2 3.49Å; C392-L396 WeakPolarHBondContact O-CG 3.49Å
397Y79.5Confident89.1Confident129 Ų12942.9 Ų42.951%0.50623%0.227SC..  trans-100-49.6-178179-107.1000113.3K358 S361K358-Y397 HydrophobicContact CB-CD1 4.46Å; K358-Y397 WeakPolarHBondContact O-CB 3.46Å; K358-Y397 PolarHBondContact O-N 2.99Å; S361-Y397 PolarHBondContact OG-OH 3.42Å
398S81.2Confident89.3Confident35 Ų3540.7 Ų40.725%0.24521%0.212CC..EExtended strand (participates in β ladder)trans-162.1161.3177.945.30000111.1A357 K358A357-S398 CarbonylContact C-O 3.57Å; A357-S398 WeakPolarHBondContact CA-O 3.28Å; K358-S398 PolarHBondContact N-O 3.24Å
399S84.6Confident89.4Confident78 Ų7845 Ų4555%0.54523%0.228SC..EExtended strand (participates in β ladder)trans-66.9153.1176.460.80000111A308A308-S399 VanDerWaalsContact CB-N 3.26Å
400G84.6Confident89.4Confident19 Ų1948.4 Ų48.420%0.19624%0.244CC..  trans-132.2179.117600000111G356G356-G400 PolarHBondContact O-N 3.43Å
401P89.6Confident89.7Confident49 Ų4943.3 Ų43.332%0.31823%0.225SC..  trans-67143.2176.329.8-34.9000111.1L365 L403 D436L365-P401 HydrophobicContact CD2-CG 4.33Å; P401-L403 HydrophobicContact CB-CD2 3.91Å; P401-L403 HydrophobicContact CB-CG 4.3Å; P401-L403 HydrophobicContact CG-CD2 4.44Å; P401-L403 HydrophobicContact CG-CG 4.38Å; P401-L403 PolarHBondContact O-N 2.86Å; P401-D436 WeakPolarHBondContact CA-OD2 3.21Å; P401-D436 HydrophobicContact CB-CB 4.24Å; P401-D436 WeakPolarHBondContact CB-OD2 3.36Å
402I92Very high90.1Very high4 Ų436.7 Ų36.72%0.02120%0.2CC..  trans-87.499.2177.1-53.2-53.6000110D303 F355 F404 T434 D436D303-I402 VanDerWaalsContact OD1-CD1 3.22Å; D303-I402 WeakPolarHBondContact OD1-CD1 3.4Å; F355-I402 HydrophobicContact CD2-CG2 4.16Å; F355-I402 HydrophobicContact CE2-CG2 3.71Å; I402-F404 HydrophobicContact CG2-CD1 4.04Å; I402-F404 HydrophobicContact CG2-CE1 3.55Å; I402-F404 HydrophobicContact CG2-CZ 4.48Å; I402-T434 WeakPolarHBondContact CB-O 3.41Å; I402-T434 WeakPolarHBondContact CG2-O 3.36Å; I402-D436 PolarHBondContact N-OD2 3Å; I402-D436 PolarHBondContact O-N 3.01Å
403L95Very high90.5Very high25 Ų2541 Ų4113%0.13122%0.22CC..  trans-113.5116.1-178-49.9-166000110.5H367 P401 P406 D436 D437H367-L403 HydrophobicContact CB-CD1 4.1Å; H367-L403 WeakPolarHBondContact ND1-CD1 3.42Å; P401-L403 HydrophobicContact CB-CD2 3.91Å; P401-L403 HydrophobicContact CB-CG 4.3Å; P401-L403 HydrophobicContact CG-CD2 4.44Å; P401-L403 HydrophobicContact CG-CG 4.38Å; P401-L403 PolarHBondContact O-N 2.86Å; L403-P406 HydrophobicContact CB-CG 3.93Å; L403-P406 HydrophobicContact CD1-CG 4.41Å; L403-D436 HydrophobicContact CD2-CB 3.89Å; L403-D437 WeakPolarHBondContact CA-OD1 3.48Å; L403-D437 WeakPolarHBondContact CB-OD2 3.31Å; L403-D437 HydrophobicContact CD2-CB 3.81Å
404F97.4Very high90.9Very high1 Ų141.1 Ų41.10%0.00422%0.223CC..SBendtrans-88.5-31.8176.5-69.82.9000111.7F355 I402 P406 I407 I408 I429 T431 V435 D437 T441 V457 M468F355-F404 AromaticContact CE2-CD1 4Å; F355-F404 HydrophobicContact CE2-CD1 4Å; F355-F404 AromaticContact CE2-CE1 3.64Å; F355-F404 HydrophobicContact CE2-CE1 3.64Å; F355-F404 HydrophobicContact CZ-CD1 4.19Å; F355-F404 AromaticContact CZ-CE1 3.77Å; F355-F404 HydrophobicContact CZ-CE1 3.77Å; I402-F404 HydrophobicContact CG2-CD1 4.04Å; I402-F404 HydrophobicContact CG2-CE1 3.55Å; I402-F404 HydrophobicContact CG2-CZ 4.48Å; F404-P406 VanDerWaalsContact C-N 3.32Å; F404-I407 WeakPolarHBondContact O-CG2 3.36Å; F404-I407 PolarHBondContact O-N 3.34Å; F404-I407 VanDerWaalsContact O-N 3.12Å; F404-I408 HydrophobicContact CB-CD1 3.9Å; F404-I408 WeakPolarHBondContact O-CG1 3.41Å; F404-I408 PolarHBondContact O-N 3.41Å; F404-I429 HydrophobicContact CB-CD1 4.42Å; F404-I429 HydrophobicContact CD1-CG2 4.2Å; F404-I429 HydrophobicContact CD2-CD1 3.96Å; F404-I429 HydrophobicContact CD2-CG2 4.4Å; F404-I429 HydrophobicContact CE1-CG2 3.79Å; F404-I429 HydrophobicContact CE2-CD1 4.41Å; F404-I429 HydrophobicContact CE2-CG2 3.99Å; F404-I429 HydrophobicContact CG-CD1 4.13Å; F404-I429 HydrophobicContact CZ-CG2 3.69Å; F404-T431 HydrophobicContact CE2-CG2 4.47Å; F404-T431 HydrophobicContact CZ-CG2 3.69Å; F404-V435 HydrophobicContact CD1-CG2 4.26Å; F404-V435 HydrophobicContact CD2-CG2 3.74Å; F404-V435 HydrophobicContact CE1-CG2 4Å; F404-V435 HydrophobicContact CE2-CG2 3.47Å; F404-V435 VanDerWaalsContact CE2-CG2 3.47Å; F404-V435 HydrophobicContact CG-CG1 4.47Å; F404-V435 HydrophobicContact CG-CG2 4.12Å; F404-V435 HydrophobicContact CZ-CG2 3.59Å; F404-D437 PolarHBondContact N-OD1 3.1Å; F404-D437 VanDerWaalsContact N-OD1 3.13Å; F404-T441 HydrophobicContact CB-CG2 3.9Å; F404-T441 HydrophobicContact CD2-CG2 4.25Å; F404-V457 HydrophobicContact CE2-CG1 4.4Å; F404-M468 HydrophobicContact CE2-CE 4.18Å; F404-M468 HydrophobicContact CE2-SD 3.7Å; F404-M468 HydrophobicContact CZ-SD 4.28Å
405S97.7Very high91.6Very high6 Ų636.6 Ų36.64%0.04220%0.195CC..Hα-helixtrans-57.2-35-174.7810000114.3R409 D437 T441S405-R409 WeakPolarHBondContact O-CB 3.18Å; S405-R409 VanDerWaalsContact O-CG 3.29Å; S405-R409 WeakPolarHBondContact O-CG 3.35Å; S405-R409 PolarHBondContact O-N 3.37Å; S405-R409 PolarHBondContact O-NH1 3.43Å; S405-R409 PolarHBondContact OG-NH1 3.34Å; S405-D437 WeakPolarHBondContact CB-OD2 3.48Å; S405-D437 PolarHBondContact N-OD2 2.88Å; S405-D437 PolarHBondContact OG-OD2 3.18Å; S405-T441 PolarHBondContact N-OG1 3.38Å
406P96.9Very high92.2Very high31 Ų3136.2 Ų36.220%0.20119%0.189CC..Hα-helixtrans-67.5-37.7177.3-22.636.8000113.6H367 L403 F404 E410H367-P406 HydrophobicContact CB-CB 4.2Å; H367-P406 HydrophobicContact CB-CG 3.86Å; L403-P406 HydrophobicContact CB-CG 3.93Å; L403-P406 HydrophobicContact CD1-CG 4.41Å; F404-P406 VanDerWaalsContact C-N 3.32Å; P406-E410 PolarHBondContact O-N 3.48Å
407I97Very high92.5Very high1 Ų144.2 Ų44.21%0.00522%0.218CC..Hα-helixtrans-78.3-35.2179.1-171.961.2000111.4A301 F353 F404 R409 E410 V411 L427A301-I407 HydrophobicContact CB-CG1 3.82Å; A301-I407 HydrophobicContact CB-CG2 4.42Å; F353-I407 HydrophobicContact CB-CD1 3.98Å; F353-I407 HydrophobicContact CD1-CD1 4.44Å; F353-I407 HydrophobicContact CD2-CD1 3.51Å; F353-I407 HydrophobicContact CE2-CD1 4.05Å; F353-I407 HydrophobicContact CG-CD1 3.72Å; F404-I407 WeakPolarHBondContact O-CG2 3.36Å; F404-I407 PolarHBondContact O-N 3.34Å; F404-I407 VanDerWaalsContact O-N 3.12Å; I407-R409 VanDerWaalsContact C-N 3.34Å; I407-R409 PolarHBondContact O-N 3.22Å; I407-E410 HydrophobicContact CD1-CB 4.34Å; I407-E410 WeakPolarHBondContact O-CB 3.49Å; I407-E410 PolarHBondContact O-N 2.92Å; I407-V411 PolarHBondContact O-N 3.5Å; I407-L427 HydrophobicContact CG1-CD1 4Å
408I98.4Very high92.4Very high2 Ų239.3 Ų39.31%0.0120%0.202CC..Hα-helixtrans-61.3-44.1172.9-64168.6000110.5F404 E410 V411 S412 L427 I429 T441 V445 T448 I455F404-I408 HydrophobicContact CB-CD1 3.9Å; F404-I408 WeakPolarHBondContact O-CG1 3.41Å; F404-I408 PolarHBondContact O-N 3.41Å; I408-E410 VanDerWaalsContact C-N 3.34Å; I408-E410 PolarHBondContact O-N 3.05Å; I408-V411 PolarHBondContact O-N 3.32Å; I408-S412 PolarHBondContact O-N 3.45Å; I408-S412 PolarHBondContact O-OG 3.13Å; I408-L427 HydrophobicContact CB-CD2 4.35Å; I408-L427 HydrophobicContact CG1-CD2 3.76Å; I408-I429 HydrophobicContact CG1-CD1 4.35Å; I408-T441 HydrophobicContact CD1-CG2 4.19Å; I408-V445 HydrophobicContact CD1-CG2 3.9Å; I408-T448 HydrophobicContact CG2-CG2 3.47Å; I408-T448 VanDerWaalsContact CG2-CG2 3.47Å; I408-I455 HydrophobicContact CD1-CD1 4.18Å; I408-I455 HydrophobicContact CG1-CD1 4.12Å; I408-I455 HydrophobicContact CG2-CD1 4Å
409R97.5Very high92.1Very high90 Ų9046.4 Ų46.434%0.3423%0.232SC..Hα-helixtrans-64.1-36.9176.5-73.7-175.8-169.395.54.5112.8S405 I407 V411 S412 E413 S444S405-R409 WeakPolarHBondContact O-CB 3.18Å; S405-R409 VanDerWaalsContact O-CG 3.29Å; S405-R409 WeakPolarHBondContact O-CG 3.35Å; S405-R409 PolarHBondContact O-N 3.37Å; S405-R409 PolarHBondContact O-NH1 3.43Å; S405-R409 PolarHBondContact OG-NH1 3.34Å; I407-R409 VanDerWaalsContact C-N 3.34Å; I407-R409 PolarHBondContact O-N 3.22Å; R409-V411 VanDerWaalsContact C-N 3.34Å; R409-V411 PolarHBondContact O-N 3.2Å; R409-S412 WeakPolarHBondContact O-CB 3.2Å; R409-S412 PolarHBondContact O-N 3.09Å; R409-E413 WeakPolarHBondContact O-CG 3.3Å; R409-E413 PolarHBondContact O-N 3.07Å; R409-S444 PolarHBondContact NE-OG 2.77Å; R409-S444 PolarHBondContact NH2-OG 3.35Å
410E94.9Very high92Very high71 Ų7144.9 Ų44.933%0.33222%0.224SC..Hα-helixtrans-58-47.1175.7-177.873.4152.400111.9F353 R368 P406 I407 I408 S412 E413 A414F353-E410 HydrophobicContact CZ-CG 4.45Å; R368-E410 IonicContact CZ-OE1 3.22Å; R368-E410 IonicContact CZ-OE2 3.25Å; R368-E410 VanDerWaalsContact CZ-OE2 3.25Å; R368-E410 IonicContact NE-OE2 3.01Å; R368-E410 IonicContact NH1-OE1 2.76Å; R368-E410 PolarHBondContact NH1-OE1 3.11Å; R368-E410 IonicContact NH1-OE2 3.63Å; R368-E410 IonicContact NH2-OE1 3.02Å; R368-E410 PolarHBondContact NH2-OE1 3.16Å; R368-E410 IonicContact NH2-OE2 2.66Å; R368-E410 PolarHBondContact NH2-OE2 2.9Å; P406-E410 PolarHBondContact O-N 3.48Å; I407-E410 HydrophobicContact CD1-CB 4.34Å; I407-E410 WeakPolarHBondContact O-CB 3.49Å; I407-E410 PolarHBondContact O-N 2.92Å; I408-E410 VanDerWaalsContact C-N 3.34Å; I408-E410 PolarHBondContact O-N 3.05Å; E410-S412 VanDerWaalsContact C-N 3.31Å; E410-E413 PolarHBondContact O-N 3.25Å; E410-A414 PolarHBondContact O-N 2.99Å; E410-A414 VanDerWaalsContact O-N 3.15Å
411V96.7Very high92Very high4 Ų444.4 Ų44.42%0.02422%0.218CC..Hα-helixtrans-68.2-35177.7-175.40000110.9V299 I407 I408 R409 E413 A414 A415 Y425 L427 I453V299-V411 HydrophobicContact CB-CG2 3.94Å; V299-V411 HydrophobicContact CG1-CG2 3.84Å; V299-V411 HydrophobicContact CG2-CG2 3.97Å; I407-V411 PolarHBondContact O-N 3.5Å; I408-V411 PolarHBondContact O-N 3.32Å; R409-V411 VanDerWaalsContact C-N 3.34Å; R409-V411 PolarHBondContact O-N 3.2Å; V411-E413 PolarHBondContact O-N 3.15Å; V411-A414 WeakPolarHBondContact O-CB 3.21Å; V411-A414 PolarHBondContact O-N 3.44Å; V411-A414 VanDerWaalsContact O-N 3.15Å; V411-A415 WeakPolarHBondContact O-CB 3.36Å; V411-A415 PolarHBondContact O-N 3.49Å; V411-Y425 HydrophobicContact CG1-CD1 4.28Å; V411-Y425 HydrophobicContact CG1-CG 4.29Å; V411-L427 HydrophobicContact CG2-CB 4.25Å; V411-L427 HydrophobicContact CG2-CD1 4.02Å; V411-L427 HydrophobicContact CG2-CD2 4.15Å; V411-L427 HydrophobicContact CG2-CG 4.36Å; V411-I453 HydrophobicContact CG1-CD1 4.05Å; V411-I453 HydrophobicContact CG1-CG1 4.25Å; V411-I453 HydrophobicContact CG1-CG2 4.47Å
412S96.9Very high92Very high0 Ų043.9 Ų43.90%021%0.212CC..Hα-helixtrans-58.1-47.8174-540000111.9I408 R409 E410 A414 A415 K416 T448I408-S412 PolarHBondContact O-N 3.45Å; I408-S412 PolarHBondContact O-OG 3.13Å; R409-S412 WeakPolarHBondContact O-CB 3.2Å; R409-S412 PolarHBondContact O-N 3.09Å; E410-S412 VanDerWaalsContact C-N 3.31Å; S412-A414 VanDerWaalsContact C-N 3.26Å; S412-A414 PolarHBondContact O-N 3.19Å; S412-A415 PolarHBondContact O-N 2.92Å; S412-K416 VanDerWaalsContact O-CG 3.26Å; S412-K416 WeakPolarHBondContact O-CG 3.49Å; S412-K416 PolarHBondContact O-N 3.19Å; S412-T448 WeakPolarHBondContact OG-CG2 3.35Å
413E95.3Very high92.1Very high97 Ų9745.5 Ų45.545%0.45322%0.221SC..Hα-helixtrans-66.1-28.8177.1-66.3-53.2127.200112.7R409 E410 V411 K416 R417R409-E413 WeakPolarHBondContact O-CG 3.3Å; R409-E413 PolarHBondContact O-N 3.07Å; E410-E413 PolarHBondContact O-N 3.25Å; V411-E413 PolarHBondContact O-N 3.15Å; E413-K416 IonicContact OE1-NZ 2.72Å; E413-K416 PolarHBondContact OE1-NZ 3.39Å; E413-R417 PolarHBondContact O-NH1 2.98Å
414A92.4Very high92.2Very high17 Ų1744.4 Ų44.414%0.1422%0.215CC..Hα-helixtrans-69.3-46.7171.400000112.5E410 V411 S412 R417 Y425E410-A414 PolarHBondContact O-N 2.99Å; E410-A414 VanDerWaalsContact O-N 3.15Å; V411-A414 WeakPolarHBondContact O-CB 3.21Å; V411-A414 PolarHBondContact O-N 3.44Å; V411-A414 VanDerWaalsContact O-N 3.15Å; S412-A414 VanDerWaalsContact C-N 3.26Å; S412-A414 PolarHBondContact O-N 3.19Å; A414-R417 PolarHBondContact O-N 2.63Å; A414-Y425 HydrophobicContact CB-CE1 4.02Å
415A94.7Very high92.2Very high0 Ų046 Ų460%022%0.222CC..Hα-helixtrans-68.5-34.4-177.500000113.4V411 S412 R417 S418 Y425 P452 I453V411-A415 WeakPolarHBondContact O-CB 3.36Å; V411-A415 PolarHBondContact O-N 3.49Å; S412-A415 PolarHBondContact O-N 2.92Å; A415-R417 PolarHBondContact O-N 2.99Å; A415-S418 PolarHBondContact O-N 2.98Å; A415-Y425 HydrophobicContact CB-CD2 3.66Å; A415-Y425 HydrophobicContact CB-CE2 3.97Å; A415-Y425 HydrophobicContact CB-CG 4.3Å; A415-P452 HydrophobicContact CB-CG 4.1Å; A415-I453 HydrophobicContact CB-CD1 3.61Å; A415-I453 HydrophobicContact CB-CG1 3.69Å
416K93.9Very high92.3Very high88 Ų8845.7 Ų45.738%0.38322%0.22SC..THydrogen-bonded Turntrans-60.5-14.1177-75.1170-170.7173.20114.2S412 E413 E447 L451S412-K416 VanDerWaalsContact O-CG 3.26Å; S412-K416 WeakPolarHBondContact O-CG 3.49Å; S412-K416 PolarHBondContact O-N 3.19Å; E413-K416 IonicContact OE1-NZ 2.72Å; E413-K416 PolarHBondContact OE1-NZ 3.39Å; K416-E447 WeakPolarHBondContact CE-OE1 3.23Å; K416-E447 IonicContact NZ-OE1 4Å; K416-E447 PolarHBondContact NZ-OE1 2.8Å; K416-L451 HydrophobicContact CG-CD1 4.07Å; K416-L451 HydrophobicContact CG-CD2 3.83Å
417R86Confident92.4Very high182 Ų18244.3 Ų44.369%0.68721%0.21SC*.THydrogen-bonded Turntrans-83.1-14.5-179.1-65.3-169.7-68.8-969.4114.4E413 A414 A415E413-R417 PolarHBondContact O-NH1 2.98Å; A414-R417 PolarHBondContact O-N 2.63Å; A415-R417 PolarHBondContact O-N 2.99Å
418S78Confident92.4Very high25 Ų2544.2 Ų44.218%0.17521%0.21CC..  trans-111.2131.6174.1-172.50000110.7A415 A420 D422A415-S418 PolarHBondContact O-N 2.98Å; S418-A420 PolarHBondContact OG-N 3.26Å; S418-D422 PolarHBondContact OG-OD1 2.86Å
419E75.8Confident92.4Very high185 Ų18544.1 Ų44.186%0.86421%0.21SC*.  trans-100.5-8.4170.5-63.2-175.1170.900111.9
420A81.3Confident92.4Very high45 Ų4539.9 Ų39.937%0.37219%0.193SC..SBendtrans-92.7162.3-174.600000112.3S418 D422S418-A420 PolarHBondContact OG-N 3.26Å; A420-D422 HydrophobicContact CB-CB 4.34Å; A420-D422 PolarHBondContact O-N 3.03Å
421A84.4Confident92.4Very high9 Ų936.5 Ų36.57%0.07418%0.178CC..THydrogen-bonded Turntrans-76.827.8173.800000113.2L294 L532 L537 S538L294-A421 WeakPolarHBondContact CD1-O 3.32Å; A421-L532 HydrophobicContact CB-CD2 4.05Å; A421-L537 HydrophobicContact CB-CB 4.06Å; A421-S538 VanDerWaalsContact CB-O 3.25Å; A421-S538 WeakPolarHBondContact CB-O 3.26Å
422D89.7Confident92Very high38 Ų3838.4 Ų38.420%0.20319%0.188CC..THydrogen-bonded Turntrans-99.3-23.9-172.266.6-14.3000112.8S295 S418 A420S295-D422 PolarHBondContact N-O 3.33Å; S418-D422 PolarHBondContact OG-OD1 2.86Å; A420-D422 HydrophobicContact CB-CB 4.34Å; A420-D422 PolarHBondContact O-N 3.03Å
423N94.5Very high91.3Very high39 Ų3938.5 Ų38.521%0.20919%0.188CC..EExtended strand (participates in β ladder)trans-132.4121.1-175.2-72.1-74.8000111.2N297 Y425N297-N423 PolarHBondContact ND2-OD1 2.86Å; N423-Y425 HydrophobicContact CB-CE2 4.07Å
424Y97.3Very high90.8Very high1 Ų137.4 Ų37.40%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-117.5140.3166.6-163.2-87.1000109.5S295 I296 N297 V426 P452 I453 S454 R487 L524 I528 Y531S295-Y424 PolarHBondContact O-N 3.46Å; I296-Y424 CarbonylContact C-O 3.52Å; I296-Y424 WeakPolarHBondContact CA-O 3.21Å; N297-Y424 PolarHBondContact N-O 2.88Å; Y424-V426 HydrophobicContact CD1-CG2 4.23Å; Y424-V426 HydrophobicContact CE1-CG2 4.42Å; Y424-P452 HydrophobicContact CD2-CB 3.78Å; Y424-P452 HydrophobicContact CE2-CB 4.19Å; Y424-P452 HydrophobicContact CG-CB 4.48Å; Y424-I453 PolarHBondContact OH-O 2.87Å; Y424-S454 PolarHBondContact OH-N 2.92Å; Y424-S454 PolarHBondContact OH-OG 3.43Å; Y424-R487 PolarHBondContact OH-NH1 3.35Å; Y424-R487 PolarHBondContact OH-NH2 3.45Å; Y424-L524 HydrophobicContact CE1-CD1 4.2Å; Y424-I528 HydrophobicContact CD1-CD1 4.03Å; Y424-I528 HydrophobicContact CD1-CG1 3.6Å; Y424-I528 HydrophobicContact CD2-CB 4.44Å; Y424-I528 HydrophobicContact CD2-CG1 3.92Å; Y424-I528 HydrophobicContact CD2-CG2 4.3Å; Y424-I528 HydrophobicContact CE1-CD1 4.23Å; Y424-I528 HydrophobicContact CE1-CG1 3.46Å; Y424-I528 VanDerWaalsContact CE1-CG1 3.46Å; Y424-I528 HydrophobicContact CE2-CB 4.25Å; Y424-I528 HydrophobicContact CE2-CG1 3.81Å; Y424-I528 HydrophobicContact CG-CD1 4.37Å; Y424-I528 HydrophobicContact CG-CG1 3.82Å; Y424-Y531 HydrophobicContact CD2-CD1 4.45Å; Y424-Y531 HydrophobicContact CE2-CD1 4.24Å; Y424-Y531 HydrophobicContact CE2-CG 4.28Å
425Y97.9Very high90.9Very high35 Ų3537 Ų3714%0.13718%0.184CC..EExtended strand (participates in β ladder)trans-109.3135.8-175.6-69.4-95.9000110.9N297 V411 A414 A415 N423 P452 I453 S454N297-Y425 HydrophobicContact CB-CD1 3.84Å; N297-Y425 HydrophobicContact CB-CE1 3.97Å; N297-Y425 HydrophobicContact CB-CG 4.42Å; N297-Y425 WeakPolarHBondContact O-CA 3.25Å; V411-Y425 HydrophobicContact CG1-CD1 4.28Å; V411-Y425 HydrophobicContact CG1-CG 4.29Å; A414-Y425 HydrophobicContact CB-CE1 4.02Å; A415-Y425 HydrophobicContact CB-CD2 3.66Å; A415-Y425 HydrophobicContact CB-CE2 3.97Å; A415-Y425 HydrophobicContact CB-CG 4.3Å; N423-Y425 HydrophobicContact CB-CE2 4.07Å; Y425-P452 PolarHBondContact N-O 2.86Å; Y425-I453 CarbonylContact O-C 3.6Å; Y425-I453 VanDerWaalsContact O-CA 3.29Å; Y425-I453 WeakPolarHBondContact O-CA 3.46Å; Y425-S454 PolarHBondContact O-N 2.82Å
426V98.3Very high90.9Very high0 Ų041.9 Ų41.90%021%0.211CC..EExtended strand (participates in β ladder)trans-120.5112.3174.6-179.30000108.8I296 N297 V298 V299 L341 Y424 S454 I456 L524I296-V426 HydrophobicContact CG2-CB 4.43Å; I296-V426 HydrophobicContact CG2-CG2 3.53Å; N297-V426 PolarHBondContact O-N 2.8Å; V298-V426 CarbonylContact C-O 3.58Å; V298-V426 WeakPolarHBondContact CA-O 3.49Å; V298-V426 HydrophobicContact CG2-CB 4.41Å; V299-V426 PolarHBondContact N-O 3.34Å; L341-V426 HydrophobicContact CD1-CG1 4.16Å; Y424-V426 HydrophobicContact CD1-CG2 4.23Å; Y424-V426 HydrophobicContact CE1-CG2 4.42Å; V426-S454 WeakPolarHBondContact CA-O 3.44Å; V426-I456 HydrophobicContact CG1-CD1 3.69Å; V426-I456 HydrophobicContact CG1-CG1 4.07Å; V426-L524 HydrophobicContact CG2-CD1 3.72Å; V426-L524 HydrophobicContact CG2-CD2 3.89Å; V426-L524 HydrophobicContact CG2-CG 4.45Å
427L98.7Very high90.9Very high1 Ų138.4 Ų38.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-90.5108.3173.3174.456.6000109.4V299 A301 I407 I408 V411 I429 S454 I455 I456V299-L427 HydrophobicContact CB-CD1 4.18Å; V299-L427 HydrophobicContact CG1-CD1 3.94Å; V299-L427 CarbonylContact O-C 3.59Å; V299-L427 WeakPolarHBondContact O-CA 3.24Å; A301-L427 HydrophobicContact CB-CD1 4.02Å; I407-L427 HydrophobicContact CG1-CD1 4Å; I408-L427 HydrophobicContact CB-CD2 4.35Å; I408-L427 HydrophobicContact CG1-CD2 3.76Å; V411-L427 HydrophobicContact CG2-CB 4.25Å; V411-L427 HydrophobicContact CG2-CD1 4.02Å; V411-L427 HydrophobicContact CG2-CD2 4.15Å; V411-L427 HydrophobicContact CG2-CG 4.36Å; L427-I429 HydrophobicContact CD1-CG1 4.2Å; L427-I429 HydrophobicContact CD2-CD1 3.97Å; L427-I429 HydrophobicContact CD2-CG1 4.12Å; L427-I429 HydrophobicContact CG-CD1 4.2Å; L427-I429 HydrophobicContact CG-CG1 3.79Å; L427-S454 PolarHBondContact N-O 3.21Å; L427-I455 HydrophobicContact CB-CG1 4.35Å; L427-I455 HydrophobicContact CD2-CG1 4.49Å; L427-I455 HydrophobicContact CD2-CG2 4.48Å; L427-I455 HydrophobicContact CG-CG2 4.47Å; L427-I455 CarbonylContact O-C 3.54Å; L427-I455 WeakPolarHBondContact O-CA 3.47Å; L427-I456 PolarHBondContact O-N 2.92Å
428L98.6Very high91.4Very high0 Ų032.1 Ų32.10%017%0.172CC..EExtended strand (participates in β ladder)trans-88.7111171.8175.563000110V299 V300 A301 V337 L430 I456 L458V299-L428 PolarHBondContact O-N 2.77Å; V300-L428 HydrophobicContact CG1-CD2 4.41Å; V300-L428 HydrophobicContact CG2-CD2 4.46Å; A301-L428 PolarHBondContact N-O 2.69Å; V337-L428 HydrophobicContact CB-CD2 3.97Å; V337-L428 HydrophobicContact CG1-CD1 4.46Å; V337-L428 HydrophobicContact CG1-CD2 3.97Å; V337-L428 HydrophobicContact CG2-CD1 4.21Å; V337-L428 HydrophobicContact CG2-CD2 4.24Å; L428-L430 HydrophobicContact CD1-CD2 3.82Å; L428-L430 HydrophobicContact CD2-CD2 4.21Å; L428-L430 HydrophobicContact CG-CD2 3.93Å; L428-L430 HydrophobicContact CG-CG 4.36Å; L428-I456 CarbonylContact C-O 3.58Å; L428-I456 WeakPolarHBondContact CA-O 3.44Å; L428-I456 HydrophobicContact CD1-CB 4.07Å; L428-I456 HydrophobicContact CD1-CG2 3.62Å; L428-L458 HydrophobicContact CD1-CB 4.38Å
429I98.3Very high92.3Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-103115.7174.8-52.6-176.8000109.1A301 F355 F404 I408 L427 I455 I456 V457 L458A301-I429 HydrophobicContact CB-CG1 4.4Å; A301-I429 WeakPolarHBondContact O-CA 3.5Å; F355-I429 HydrophobicContact CE1-CG2 4.12Å; F355-I429 HydrophobicContact CZ-CG2 3.77Å; F404-I429 HydrophobicContact CB-CD1 4.42Å; F404-I429 HydrophobicContact CD1-CG2 4.2Å; F404-I429 HydrophobicContact CD2-CD1 3.96Å; F404-I429 HydrophobicContact CD2-CG2 4.4Å; F404-I429 HydrophobicContact CE1-CG2 3.79Å; F404-I429 HydrophobicContact CE2-CD1 4.41Å; F404-I429 HydrophobicContact CE2-CG2 3.99Å; F404-I429 HydrophobicContact CG-CD1 4.13Å; F404-I429 HydrophobicContact CZ-CG2 3.69Å; I408-I429 HydrophobicContact CG1-CD1 4.35Å; L427-I429 HydrophobicContact CD1-CG1 4.2Å; L427-I429 HydrophobicContact CD2-CD1 3.97Å; L427-I429 HydrophobicContact CD2-CG1 4.12Å; L427-I429 HydrophobicContact CG-CD1 4.2Å; L427-I429 HydrophobicContact CG-CG1 3.79Å; I429-I455 HydrophobicContact CD1-CG2 3.84Å; I429-I455 HydrophobicContact CG1-CG2 4.22Å; I429-I456 PolarHBondContact N-O 3.43Å; I429-V457 HydrophobicContact CB-CG2 4.46Å; I429-V457 WeakPolarHBondContact O-CA 3.49Å; I429-L458 PolarHBondContact O-N 3.1Å
430L97.1Very high93.4Very high0 Ų030.3 Ų30.30%016%0.163CC..EExtended strand (participates in β ladder)trans-97.9121.7171.6-53.2-176000108.8A301 V302 D303 Y330 A333 I334 L428 L458 V460A301-L430 PolarHBondContact O-N 3.18Å; V302-L430 HydrophobicContact CG2-CD1 4.32Å; D303-L430 WeakPolarHBondContact CB-O 3.47Å; D303-L430 PolarHBondContact N-O 2.74Å; Y330-L430 HydrophobicContact CD1-CB 3.66Å; Y330-L430 HydrophobicContact CD1-CD1 3.96Å; Y330-L430 HydrophobicContact CD1-CG 4.47Å; Y330-L430 HydrophobicContact CE1-CB 3.65Å; A333-L430 HydrophobicContact CB-CD1 4.18Å; A333-L430 HydrophobicContact CB-CD2 3.97Å; I334-L430 HydrophobicContact CD1-CD1 4.13Å; I334-L430 HydrophobicContact CG1-CD1 3.43Å; I334-L430 VanDerWaalsContact CG1-CD1 3.43Å; L428-L430 HydrophobicContact CD1-CD2 3.82Å; L428-L430 HydrophobicContact CD2-CD2 4.21Å; L428-L430 HydrophobicContact CG-CD2 3.93Å; L428-L430 HydrophobicContact CG-CG 4.36Å; L430-L458 HydrophobicContact CD2-CB 3.65Å; L430-L458 HydrophobicContact CD2-CD2 3.82Å; L430-L458 HydrophobicContact CD2-CG 4.06Å; L430-V460 HydrophobicContact CB-CG2 4.42Å
431T95Very high94.2Very high0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-146.6157-175.1-176.90000113.2D303 F404 G433 V457 L458 G459 V460D303-T431 PolarHBondContact OD2-OG1 3.09Å; F404-T431 HydrophobicContact CE2-CG2 4.47Å; F404-T431 HydrophobicContact CZ-CG2 3.69Å; T431-G433 VanDerWaalsContact C-N 3.32Å; T431-G433 PolarHBondContact OG1-N 2.69Å; T431-V457 HydrophobicContact CG2-CG1 3.91Å; T431-L458 PolarHBondContact N-O 3.42Å; T431-L458 VanDerWaalsContact N-O 3.13Å; T431-G459 CarbonylContact O-C 3.6Å; T431-G459 WeakPolarHBondContact O-CA 3.2Å; T431-V460 PolarHBondContact O-N 3.49Å
432N88.7Confident94.8Very high45 Ų4529.8 Ų29.824%0.24115%0.151CC..SBendtrans-89.29.8166.1-167.334.1000113.3D303 T306 V460 G462 G463D303-N432 PolarHBondContact OD2-N 3.33Å; T306-N432 HydrophobicContact CG2-CB 3.89Å; N432-V460 WeakPolarHBondContact CA-O 3.14Å; N432-V460 PolarHBondContact OD1-O 3.46Å; N432-V460 VanDerWaalsContact OD1-O 3.08Å; N432-G462 PolarHBondContact OD1-N 3.21Å; N432-G463 VanDerWaalsContact O-CA 3.24Å; N432-G463 WeakPolarHBondContact O-CA 3.34Å; N432-G463 WeakPolarHBondContact OD1-CA 3.32Å; N432-G463 PolarHBondContact OD1-N 3.25Å
433G81.5Confident95.3Very high1 Ų132.2 Ų32.21%0.0116%0.16CC..SBendtrans105.1-4.3157.600000118T431 K464 F465T431-G433 VanDerWaalsContact C-N 3.32Å; T431-G433 PolarHBondContact OG1-N 2.69Å; G433-K464 CarbonylContact C-O 3.57Å; G433-K464 WeakPolarHBondContact CA-O 3.21Å; G433-F465 VanDerWaalsContact CA-CD1 3.45Å; G433-F465 VanDerWaalsContact CA-CE1 3.4Å
434T85.7Confident95.4Very high74 Ų7430.4 Ų30.445%0.45415%0.15SC..  trans-92135.2174.850.30000111.1I402I402-T434 WeakPolarHBondContact CB-O 3.41Å; I402-T434 WeakPolarHBondContact CG2-O 3.36Å
435V93.2Very high95.5Very high9 Ų930.4 Ų30.46%0.05515%0.15CC..  trans-124.7114.2171.5179.90000110.2F404 D437 W438 T441 M468F404-V435 HydrophobicContact CD1-CG2 4.26Å; F404-V435 HydrophobicContact CD2-CG2 3.74Å; F404-V435 HydrophobicContact CE1-CG2 4Å; F404-V435 HydrophobicContact CE2-CG2 3.47Å; F404-V435 VanDerWaalsContact CE2-CG2 3.47Å; F404-V435 HydrophobicContact CG-CG1 4.47Å; F404-V435 HydrophobicContact CG-CG2 4.12Å; F404-V435 HydrophobicContact CZ-CG2 3.59Å; V435-D437 WeakPolarHBondContact CG1-OD1 3.1Å; V435-W438 HydrophobicContact CB-CE3 4.4Å; V435-W438 HydrophobicContact CG1-CE3 4.38Å; V435-T441 HydrophobicContact CG1-CG2 4.26Å; V435-M468 HydrophobicContact CB-CE 4.43Å; V435-M468 HydrophobicContact CG2-CE 3.43Å; V435-M468 VanDerWaalsContact CG2-CE 3.43Å; V435-M468 HydrophobicContact CG2-SD 4.32Å
436D94.3Very high95.5Very high103 Ų10329 Ų2955%0.55115%0.145SC*.THydrogen-bonded Turntrans-81.4-20.6-175.5-65.5-46.4000113.1P401 I402 L403P401-D436 WeakPolarHBondContact CA-OD2 3.21Å; P401-D436 HydrophobicContact CB-CB 4.24Å; P401-D436 WeakPolarHBondContact CB-OD2 3.36Å; I402-D436 PolarHBondContact N-OD2 3Å; I402-D436 PolarHBondContact O-N 3.01Å; L403-D436 HydrophobicContact CD2-CB 3.89Å
437D95.4Very high95.5Very high15 Ų1532.4 Ų32.48%0.0816%0.161CC..THydrogen-bonded Turntrans-108.850.4175.864.6-12.3000113.1L403 F404 S405 V435 I439 E440 T441L403-D437 WeakPolarHBondContact CA-OD1 3.48Å; L403-D437 WeakPolarHBondContact CB-OD2 3.31Å; L403-D437 HydrophobicContact CD2-CB 3.81Å; F404-D437 PolarHBondContact N-OD1 3.1Å; F404-D437 VanDerWaalsContact N-OD1 3.13Å; S405-D437 WeakPolarHBondContact CB-OD2 3.48Å; S405-D437 PolarHBondContact N-OD2 2.88Å; S405-D437 PolarHBondContact OG-OD2 3.18Å; V435-D437 WeakPolarHBondContact CG1-OD1 3.1Å; D437-I439 VanDerWaalsContact C-N 3.32Å; D437-I439 PolarHBondContact O-N 2.74Å; D437-E440 HydrophobicContact CB-CB 4.2Å; D437-E440 PolarHBondContact O-N 3.24Å; D437-T441 WeakPolarHBondContact O-CB 3.49Å; D437-T441 PolarHBondContact O-N 3Å; D437-T441 PolarHBondContact O-OG1 3.06Å; D437-T441 PolarHBondContact OD1-OG1 3.11Å
438W96.4Very high95.5Very high49 Ų4932.4 Ų32.419%0.18616%0.161CC..Hα-helixtrans-54.4-40.7-171.5-178.7-128.2000115V435 K442 E467 M468 I470 L471V435-W438 HydrophobicContact CB-CE3 4.4Å; V435-W438 HydrophobicContact CG1-CE3 4.38Å; W438-K442 HydrophobicContact CD2-CG 4.34Å; W438-K442 HydrophobicContact CH2-CG 4.24Å; W438-K442 HydrophobicContact CZ2-CD 3.83Å; W438-K442 HydrophobicContact CZ2-CG 4.01Å; W438-K442 WeakPolarHBondContact O-CG 3.39Å; W438-K442 PolarHBondContact O-N 3.14Å; W438-E467 HydrophobicContact CE3-CB 4.18Å; W438-E467 HydrophobicContact CE3-CG 4.49Å; W438-E467 HydrophobicContact CH2-CB 3.91Å; W438-E467 WeakPolarHBondContact CH2-O 3.42Å; W438-E467 HydrophobicContact CZ2-CB 4.33Å; W438-E467 HydrophobicContact CZ3-CB 3.81Å; W438-M468 HydrophobicContact CZ3-CE 4.07Å; W438-I470 HydrophobicContact CH2-CB 4.24Å; W438-I470 HydrophobicContact CH2-CG2 4.33Å; W438-I470 HydrophobicContact CZ2-CB 4.14Å; W438-I470 HydrophobicContact CZ2-CD1 4.48Å; W438-I470 HydrophobicContact CZ2-CG2 3.96Å; W438-L471 HydrophobicContact CH2-CD1 4.45Å; W438-L471 HydrophobicContact CH2-CD2 3.5Å; W438-L471 VanDerWaalsContact CH2-CD2 3.5Å; W438-L471 HydrophobicContact CH2-CG 3.56Å; W438-L471 HydrophobicContact CZ3-CD1 3.92Å; W438-L471 HydrophobicContact CZ3-CD2 3.53Å; W438-L471 HydrophobicContact CZ3-CG 3.52Å
439I97Very high95.4Very high91 Ų9132.4 Ų32.447%0.46716%0.161SC..Hα-helixtrans-69-46.5-178.9-62.8177000110.5D437 T441 K442 K443 V480D437-I439 VanDerWaalsContact C-N 3.32Å; D437-I439 PolarHBondContact O-N 2.74Å; I439-T441 VanDerWaalsContact C-N 3.34Å; I439-K442 PolarHBondContact O-N 2.95Å; I439-K443 WeakPolarHBondContact O-CG 3.27Å; I439-K443 PolarHBondContact O-N 2.99Å; I439-K443 VanDerWaalsContact O-N 3.08Å; I439-V480 HydrophobicContact CG2-CG1 4.49Å
440E97.9Very high95.3Very high82 Ų8237.7 Ų37.738%0.38318%0.184SC..Hα-helixtrans-66-38.4178.6-71.262.5-147.400111.3D437 K443 S444D437-E440 HydrophobicContact CB-CB 4.2Å; D437-E440 PolarHBondContact O-N 3.24Å; E440-K443 PolarHBondContact O-N 2.99Å; E440-S444 WeakPolarHBondContact O-CB 3.28Å; E440-S444 PolarHBondContact O-N 3.31Å; E440-S444 PolarHBondContact O-OG 2.83Å
441T98.1Very high95.4Very high0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-61-48.9174.6-72.90000110.5F404 S405 I408 V435 D437 I439 K443 S444 V445 L471F404-T441 HydrophobicContact CB-CG2 3.9Å; F404-T441 HydrophobicContact CD2-CG2 4.25Å; S405-T441 PolarHBondContact N-OG1 3.38Å; I408-T441 HydrophobicContact CD1-CG2 4.19Å; V435-T441 HydrophobicContact CG1-CG2 4.26Å; D437-T441 WeakPolarHBondContact O-CB 3.49Å; D437-T441 PolarHBondContact O-N 3Å; D437-T441 PolarHBondContact O-OG1 3.06Å; D437-T441 PolarHBondContact OD1-OG1 3.11Å; I439-T441 VanDerWaalsContact C-N 3.34Å; T441-K443 VanDerWaalsContact C-N 3.34Å; T441-K443 PolarHBondContact O-N 3.12Å; T441-S444 PolarHBondContact O-N 2.88Å; T441-V445 WeakPolarHBondContact O-CG2 3.42Å; T441-V445 PolarHBondContact O-N 2.82Å; T441-L471 HydrophobicContact CG2-CD1 4.14Å; T441-L471 HydrophobicContact CG2-CD2 4.32Å
442K98.3Very high95.5Very high43 Ų4339.2 Ų39.219%0.18719%0.192CC..Hα-helixtrans-58.5-43.2174.9-75.1-171.2-64.6174.20112.9W438 I439 S444 V445 I446 L471 L478 V480W438-K442 HydrophobicContact CD2-CG 4.34Å; W438-K442 HydrophobicContact CH2-CG 4.24Å; W438-K442 HydrophobicContact CZ2-CD 3.83Å; W438-K442 HydrophobicContact CZ2-CG 4.01Å; W438-K442 WeakPolarHBondContact O-CG 3.39Å; W438-K442 PolarHBondContact O-N 3.14Å; I439-K442 PolarHBondContact O-N 2.95Å; K442-S444 VanDerWaalsContact C-N 3.34Å; K442-V445 PolarHBondContact O-N 3.07Å; K442-I446 VanDerWaalsContact O-CG1 3.27Å; K442-I446 WeakPolarHBondContact O-CG1 3.35Å; K442-I446 PolarHBondContact O-N 3.26Å; K442-L471 HydrophobicContact CG-CD2 4.31Å; K442-L478 HydrophobicContact CD-CD2 4.19Å; K442-L478 HydrophobicContact CG-CD2 4.26Å; K442-V480 HydrophobicContact CB-CG2 3.6Å; K442-V480 HydrophobicContact CD-CG2 4.26Å
443K98.4Very high95.9Very high89 Ų8937 Ų3739%0.38718%0.181SC..Hα-helixtrans-60.8-44.5176.5-73.3178.7175.9-179.80111.6I439 E440 T441 I446 E447 V480I439-K443 WeakPolarHBondContact O-CG 3.27Å; I439-K443 PolarHBondContact O-N 2.99Å; I439-K443 VanDerWaalsContact O-N 3.08Å; E440-K443 PolarHBondContact O-N 2.99Å; T441-K443 VanDerWaalsContact C-N 3.34Å; T441-K443 PolarHBondContact O-N 3.12Å; K443-I446 PolarHBondContact O-N 3.46Å; K443-E447 PolarHBondContact O-N 3.01Å; K443-V480 HydrophobicContact CG-CB 4.29Å; K443-V480 HydrophobicContact CG-CG1 4.01Å; K443-V480 HydrophobicContact CG-CG2 4.36Å
444S98.4Very high96.7Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-64.4-40.1176.9-71.50000112.5R409 E440 T441 K442 E447 T448R409-S444 PolarHBondContact NE-OG 2.77Å; R409-S444 PolarHBondContact NH2-OG 3.35Å; E440-S444 WeakPolarHBondContact O-CB 3.28Å; E440-S444 PolarHBondContact O-N 3.31Å; E440-S444 PolarHBondContact O-OG 2.83Å; T441-S444 PolarHBondContact O-N 2.88Å; K442-S444 VanDerWaalsContact C-N 3.34Å; S444-E447 PolarHBondContact O-N 2.84Å; S444-T448 WeakPolarHBondContact O-CG2 3.43Å; S444-T448 PolarHBondContact O-N 2.91Å; S444-T448 PolarHBondContact O-OG1 2.8Å
445V98.5Very high97.4Very high1 Ų133.6 Ų33.61%0.00616%0.159CC..Hα-helixtrans-63.5-45.9174.2176.30000110.8I408 T441 K442 E447 T448 S449 I455 L471 L478 V490I408-V445 HydrophobicContact CD1-CG2 3.9Å; T441-V445 WeakPolarHBondContact O-CG2 3.42Å; T441-V445 PolarHBondContact O-N 2.82Å; K442-V445 PolarHBondContact O-N 3.07Å; V445-E447 VanDerWaalsContact C-N 3.31Å; V445-E447 PolarHBondContact O-N 2.77Å; V445-T448 WeakPolarHBondContact CA-OG1 3.28Å; V445-T448 PolarHBondContact O-N 2.94Å; V445-T448 VanDerWaalsContact O-N 3.13Å; V445-T448 PolarHBondContact O-OG1 3.36Å; V445-S449 PolarHBondContact O-N 2.71Å; V445-I455 HydrophobicContact CG2-CD1 3.97Å; V445-L471 HydrophobicContact CG2-CD2 4.16Å; V445-L478 HydrophobicContact CB-CD1 3.85Å; V445-L478 HydrophobicContact CG1-CD1 3.49Å; V445-L478 VanDerWaalsContact CG1-CD1 3.49Å; V445-V490 HydrophobicContact CG1-CG2 3.5Å; V445-V490 VanDerWaalsContact CG1-CG2 3.5Å
446I98.6Very high97.6Very high6 Ų633.2 Ų33.23%0.03116%0.157CC..Hα-helixtrans-55.5-46.7175.6-70.6166.7000110.8K442 K443 S449 F450 L478 V480 E483 A485K442-I446 VanDerWaalsContact O-CG1 3.27Å; K442-I446 WeakPolarHBondContact O-CG1 3.35Å; K442-I446 PolarHBondContact O-N 3.26Å; K443-I446 PolarHBondContact O-N 3.46Å; I446-S449 WeakPolarHBondContact O-CB 3.19Å; I446-S449 PolarHBondContact O-N 3.44Å; I446-S449 PolarHBondContact O-OG 3.5Å; I446-F450 HydrophobicContact CG2-CE2 4.31Å; I446-F450 WeakPolarHBondContact O-CD2 3.25Å; I446-F450 WeakPolarHBondContact O-CE2 3.5Å; I446-L478 HydrophobicContact CD1-CB 4.28Å; I446-L478 HydrophobicContact CG1-CB 3.91Å; I446-V480 HydrophobicContact CD1-CB 4.07Å; I446-V480 HydrophobicContact CD1-CG2 3.8Å; I446-E483 HydrophobicContact CG2-CB 4.28Å; I446-A485 HydrophobicContact CG1-CB 4.14Å
447E97.8Very high97.8Very high72 Ų7228.3 Ų28.334%0.33613%0.131SC..Hα-helixtrans-58.3-47.9175.8-174.6-177.9177.700111.7K416 K443 S444 V445 S449 F450K416-E447 WeakPolarHBondContact CE-OE1 3.23Å; K416-E447 IonicContact NZ-OE1 4Å; K416-E447 PolarHBondContact NZ-OE1 2.8Å; K443-E447 PolarHBondContact O-N 3.01Å; S444-E447 PolarHBondContact O-N 2.84Å; V445-E447 VanDerWaalsContact C-N 3.31Å; V445-E447 PolarHBondContact O-N 2.77Å; E447-S449 PolarHBondContact O-N 2.96Å; E447-F450 PolarHBondContact O-N 3.22Å; E447-F450 VanDerWaalsContact O-N 3.16Å
448T97.7Very high97.8Very high0 Ų027.6 Ų27.60%013%0.127CC..Hα-helixtrans-64.3-2317956.60000114.4I408 S412 S444 V445 F450 L451 I453 N489I408-T448 HydrophobicContact CG2-CG2 3.47Å; I408-T448 VanDerWaalsContact CG2-CG2 3.47Å; S412-T448 WeakPolarHBondContact OG-CG2 3.35Å; S444-T448 WeakPolarHBondContact O-CG2 3.43Å; S444-T448 PolarHBondContact O-N 2.91Å; S444-T448 PolarHBondContact O-OG1 2.8Å; V445-T448 WeakPolarHBondContact CA-OG1 3.28Å; V445-T448 PolarHBondContact O-N 2.94Å; V445-T448 VanDerWaalsContact O-N 3.13Å; V445-T448 PolarHBondContact O-OG1 3.36Å; T448-F450 PolarHBondContact O-N 3.29Å; T448-F450 VanDerWaalsContact O-N 3.14Å; T448-L451 PolarHBondContact O-N 3.13Å; T448-I453 HydrophobicContact CG2-CB 4.45Å; T448-I453 HydrophobicContact CG2-CD1 3.77Å; T448-I453 HydrophobicContact CG2-CG2 4.16Å; T448-N489 PolarHBondContact OG1-ND2 2.66Å
449S97.8Very high97.8Very high0 Ų025.3 Ų25.30%012%0.119CC..THydrogen-bonded Turntrans-61.1-23.7176.778.10000112.3V445 I446 E447 A485 C486 R487 N489V445-S449 PolarHBondContact O-N 2.71Å; I446-S449 WeakPolarHBondContact O-CB 3.19Å; I446-S449 PolarHBondContact O-N 3.44Å; I446-S449 PolarHBondContact O-OG 3.5Å; E447-S449 PolarHBondContact O-N 2.96Å; S449-A485 WeakPolarHBondContact OG-CA 3.04Å; S449-C486 PolarHBondContact O-SG 2.67Å; S449-C486 PolarHBondContact OG-N 3.39Å; S449-R487 WeakPolarHBondContact O-CD 3.36Å; S449-R487 WeakPolarHBondContact O-CG 3.47Å; S449-R487 PolarHBondContact O-NE 3.21Å; S449-N489 PolarHBondContact N-ND2 3.08Å
450F96.6Very high97.5Very high111 Ų11121 Ų2149%0.48710%0.097SC..THydrogen-bonded Turntrans-89.5-3.4175.9-60.6-91.4000113.9I446 E447 T448 C486I446-F450 HydrophobicContact CG2-CE2 4.31Å; I446-F450 WeakPolarHBondContact O-CD2 3.25Å; I446-F450 WeakPolarHBondContact O-CE2 3.5Å; E447-F450 PolarHBondContact O-N 3.22Å; E447-F450 VanDerWaalsContact O-N 3.16Å; T448-F450 PolarHBondContact O-N 3.29Å; T448-F450 VanDerWaalsContact O-N 3.14Å; F450-C486 HydrophobicContact CD1-CB 3.85Å; F450-C486 VanDerWaalsContact CD1-SG 3.58Å; F450-C486 HydrophobicContact CE1-CB 3.36Å; F450-C486 HydrophobicContact CE2-CB 4.13Å; F450-C486 HydrophobicContact CG-CB 4.43Å; F450-C486 HydrophobicContact CZ-CB 3.52Å
451L97.4Very high97Very high26 Ų2617.6 Ų17.614%0.1368%0.083CC..THydrogen-bonded Turntrans-110.6164.8-177.3-64.6177.9000110.4K416 T448 I453 R487 Y531K416-L451 HydrophobicContact CG-CD1 4.07Å; K416-L451 HydrophobicContact CG-CD2 3.83Å; T448-L451 PolarHBondContact O-N 3.13Å; L451-I453 HydrophobicContact CB-CD1 3.9Å; L451-I453 HydrophobicContact CB-CG1 4.07Å; L451-I453 HydrophobicContact CD1-CD1 4.01Å; L451-I453 PolarHBondContact O-N 2.81Å; L451-R487 PolarHBondContact O-NH2 3.16Å; L451-Y531 VanDerWaalsContact O-CD2 3.3Å; L451-Y531 WeakPolarHBondContact O-CD2 3.41Å; L451-Y531 WeakPolarHBondContact O-CE2 3.33Å
452P97.4Very high96.2Very high6 Ų620 Ų204%0.03911%0.108CC..THydrogen-bonded Turntrans-75.258.7175.730.7-33.4000110.6A415 Y424 Y425 Y531A415-P452 HydrophobicContact CB-CG 4.1Å; Y424-P452 HydrophobicContact CD2-CB 3.78Å; Y424-P452 HydrophobicContact CE2-CB 4.19Å; Y424-P452 HydrophobicContact CG-CB 4.48Å; Y425-P452 PolarHBondContact N-O 2.86Å; P452-Y531 HydrophobicContact CB-CD1 3.97Å; P452-Y531 HydrophobicContact CB-CE1 3.5Å; P452-Y531 VanDerWaalsContact CB-CE1 3.5Å; P452-Y531 HydrophobicContact CB-CE2 4.24Å; P452-Y531 WeakPolarHBondContact CD-OH 3.2Å; P452-Y531 HydrophobicContact CG-CE1 4.33Å
453I98.2Very high95.6Very high0 Ų019.3 Ų19.30%011%0.113CC..EExtended strand (participates in β ladder)trans-129.7127.9-174.1-63.5172.6000109.8V411 A415 Y424 Y425 T448 L451 I455 R487 N489V411-I453 HydrophobicContact CG1-CD1 4.05Å; V411-I453 HydrophobicContact CG1-CG1 4.25Å; V411-I453 HydrophobicContact CG1-CG2 4.47Å; A415-I453 HydrophobicContact CB-CD1 3.61Å; A415-I453 HydrophobicContact CB-CG1 3.69Å; Y424-I453 PolarHBondContact OH-O 2.87Å; Y425-I453 CarbonylContact O-C 3.6Å; Y425-I453 VanDerWaalsContact O-CA 3.29Å; Y425-I453 WeakPolarHBondContact O-CA 3.46Å; T448-I453 HydrophobicContact CG2-CB 4.45Å; T448-I453 HydrophobicContact CG2-CD1 3.77Å; T448-I453 HydrophobicContact CG2-CG2 4.16Å; L451-I453 HydrophobicContact CB-CD1 3.9Å; L451-I453 HydrophobicContact CB-CG1 4.07Å; L451-I453 HydrophobicContact CD1-CD1 4.01Å; L451-I453 PolarHBondContact O-N 2.81Å; I453-I455 HydrophobicContact CG2-CG1 4.04Å; I453-R487 PolarHBondContact O-NH2 3.22Å; I453-N489 PolarHBondContact O-ND2 3.03Å
454S98.6Very high95.1Very high0 Ų023.5 Ų23.50%013%0.131CC..EExtended strand (participates in β ladder)trans-109.5145.1157.5-73.20000110.1Y424 Y425 V426 L427 N489 Q527Y424-S454 PolarHBondContact OH-N 2.92Å; Y424-S454 PolarHBondContact OH-OG 3.43Å; Y425-S454 PolarHBondContact O-N 2.82Å; V426-S454 WeakPolarHBondContact CA-O 3.44Å; L427-S454 PolarHBondContact N-O 3.21Å; S454-N489 CarbonylContact C-O 3.42Å; S454-N489 VanDerWaalsContact CA-O 3.32Å; S454-N489 WeakPolarHBondContact CA-O 3.48Å; S454-Q527 VanDerWaalsContact CB-OE1 3.25Å; S454-Q527 WeakPolarHBondContact OG-CB 3.45Å; S454-Q527 PolarHBondContact OG-OE1 3.38Å
455I98.7Very high94.9Very high2 Ų224.2 Ų24.21%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-114.7117.1177.4-56.2171.6000107.9I408 L427 I429 V445 I453 V457 N489 V490 Q491I408-I455 HydrophobicContact CD1-CD1 4.18Å; I408-I455 HydrophobicContact CG1-CD1 4.12Å; I408-I455 HydrophobicContact CG2-CD1 4Å; L427-I455 HydrophobicContact CB-CG1 4.35Å; L427-I455 HydrophobicContact CD2-CG1 4.49Å; L427-I455 HydrophobicContact CD2-CG2 4.48Å; L427-I455 HydrophobicContact CG-CG2 4.47Å; L427-I455 CarbonylContact O-C 3.54Å; L427-I455 WeakPolarHBondContact O-CA 3.47Å; I429-I455 HydrophobicContact CD1-CG2 3.84Å; I429-I455 HydrophobicContact CG1-CG2 4.22Å; V445-I455 HydrophobicContact CG2-CD1 3.97Å; I453-I455 HydrophobicContact CG2-CG1 4.04Å; I455-V457 HydrophobicContact CG2-CG2 3.98Å; I455-N489 PolarHBondContact N-O 3.4Å; I455-V490 HydrophobicContact CB-CG2 4.31Å; I455-V490 CarbonylContact O-C 3.54Å; I455-V490 WeakPolarHBondContact O-CA 3.39Å; I455-Q491 PolarHBondContact O-N 2.64Å
456I98.4Very high94.6Very high1 Ų127.8 Ų27.81%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-96.9119.4171.9-65.5176.1000107.4V426 L427 L428 I429 Q491 V520 L521V426-I456 HydrophobicContact CG1-CD1 3.69Å; V426-I456 HydrophobicContact CG1-CG1 4.07Å; L427-I456 PolarHBondContact O-N 2.92Å; L428-I456 CarbonylContact C-O 3.58Å; L428-I456 WeakPolarHBondContact CA-O 3.44Å; L428-I456 HydrophobicContact CD1-CB 4.07Å; L428-I456 HydrophobicContact CD1-CG2 3.62Å; I429-I456 PolarHBondContact N-O 3.43Å; I456-Q491 CarbonylContact C-O 3.51Å; I456-Q491 WeakPolarHBondContact CA-O 3.1Å; I456-V520 HydrophobicContact CD1-CG1 4.13Å; I456-V520 HydrophobicContact CG2-CG1 3.48Å; I456-V520 VanDerWaalsContact CG2-CG1 3.48Å; I456-L521 HydrophobicContact CD1-CD2 3.95Å
457V97.8Very high94.4Very high1 Ų130.4 Ų30.41%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-105.3115.2172.1-173.40000108.9F404 I429 T431 I455 M468 V490 Q491 F492 V493F404-V457 HydrophobicContact CE2-CG1 4.4Å; I429-V457 HydrophobicContact CB-CG2 4.46Å; I429-V457 WeakPolarHBondContact O-CA 3.49Å; T431-V457 HydrophobicContact CG2-CG1 3.91Å; I455-V457 HydrophobicContact CG2-CG2 3.98Å; V457-M468 HydrophobicContact CG1-CG 4.21Å; V457-M468 HydrophobicContact CG1-SD 3.65Å; V457-V490 HydrophobicContact CG2-CG1 4.24Å; V457-Q491 PolarHBondContact N-O 2.8Å; V457-F492 HydrophobicContact CB-CD2 4.03Å; V457-F492 HydrophobicContact CG1-CD2 4.02Å; V457-F492 HydrophobicContact CG1-CE2 4.46Å; V457-F492 WeakPolarHBondContact O-CA 3.31Å; V457-F492 VanDerWaalsContact O-CD2 3.23Å; V457-F492 WeakPolarHBondContact O-CD2 3.38Å; V457-V493 PolarHBondContact O-N 2.89Å
458L96.7Very high94.3Very high0 Ų027 Ų270%016%0.155CC..EExtended strand (participates in β ladder)trans-108.3108.6178.2-176.554.1000109.2A333 V337 L428 I429 L430 T431 V460 V493 M495 L516 V520A333-L458 HydrophobicContact CB-CD2 3.45Å; A333-L458 VanDerWaalsContact CB-CD2 3.45Å; A333-L458 HydrophobicContact CB-CG 4.31Å; V337-L458 HydrophobicContact CG2-CD2 4.47Å; L428-L458 HydrophobicContact CD1-CB 4.38Å; I429-L458 PolarHBondContact O-N 3.1Å; L430-L458 HydrophobicContact CD2-CB 3.65Å; L430-L458 HydrophobicContact CD2-CD2 3.82Å; L430-L458 HydrophobicContact CD2-CG 4.06Å; T431-L458 PolarHBondContact N-O 3.42Å; T431-L458 VanDerWaalsContact N-O 3.13Å; L458-V460 HydrophobicContact CG-CG2 4.44Å; L458-V460 PolarHBondContact O-N 3.1Å; L458-V493 WeakPolarHBondContact CA-O 3.5Å; L458-V493 HydrophobicContact CD1-CB 3.99Å; L458-V493 HydrophobicContact CD1-CG1 4.08Å; L458-V493 WeakPolarHBondContact CD1-O 3.47Å; L458-M495 HydrophobicContact CD1-CB 3.97Å; L458-L516 HydrophobicContact CD1-CD1 3.94Å; L458-V520 HydrophobicContact CD1-CG2 4.03Å; L458-V520 HydrophobicContact CD2-CG2 4.47Å
459G95.6Very high94.1Very high1 Ų131.5 Ų31.51%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-74.3106.4176.400000111.1T431 V493 M495T431-G459 CarbonylContact O-C 3.6Å; T431-G459 WeakPolarHBondContact O-CA 3.2Å; G459-V493 PolarHBondContact N-O 3.07Å; G459-M495 WeakPolarHBondContact O-CB 3.41Å; G459-M495 PolarHBondContact O-N 3.04Å
460V91.5Very high94.1Very high1 Ų136 Ų361%0.00620%0.2CC..  trans-99.2145.4178.8-175.30000109.1E329 Y330 A333 L430 T431 N432 L458 M495E329-V460 HydrophobicContact CB-CG1 3.44Å; E329-V460 VanDerWaalsContact CB-CG1 3.44Å; E329-V460 HydrophobicContact CG-CG1 4.48Å; E329-V460 WeakPolarHBondContact OE2-CG1 3.45Å; Y330-V460 HydrophobicContact CD1-CG2 4.39Å; Y330-V460 HydrophobicContact CD2-CB 4.32Å; Y330-V460 HydrophobicContact CD2-CG1 3.61Å; Y330-V460 HydrophobicContact CE1-CB 4.41Å; Y330-V460 HydrophobicContact CE1-CG2 4.39Å; Y330-V460 HydrophobicContact CE2-CB 3.99Å; Y330-V460 HydrophobicContact CE2-CG1 3.6Å; Y330-V460 HydrophobicContact CG-CG1 4.15Å; A333-V460 HydrophobicContact CB-CG2 4.2Å; L430-V460 HydrophobicContact CB-CG2 4.42Å; T431-V460 PolarHBondContact O-N 3.49Å; N432-V460 WeakPolarHBondContact CA-O 3.14Å; N432-V460 PolarHBondContact OD1-O 3.46Å; N432-V460 VanDerWaalsContact OD1-O 3.08Å; L458-V460 HydrophobicContact CG-CG2 4.44Å; L458-V460 PolarHBondContact O-N 3.1Å; V460-M495 HydrophobicContact CG1-SD 4.18Å; V460-M495 HydrophobicContact CG2-SD 4.14Å
461G86.5Confident94Very high10 Ų1030.9 Ų30.910%0.10318%0.177CC..THydrogen-bonded Turntrans75.4-157.7179.100000114.9E329 R496E329-G461 WeakPolarHBondContact OE2-CA 3.32Å; E329-G461 PolarHBondContact OE2-N 2.83Å; G461-R496 VanDerWaalsContact C-NE 3.26Å; G461-R496 WeakPolarHBondContact O-CD 3.08Å; G461-R496 PolarHBondContact O-NE 3.39Å; G461-R496 VanDerWaalsContact O-NE 3.12Å
462G82.5Confident94Very high51 Ų5130 Ų3053%0.52617%0.173SC..THydrogen-bonded Turntrans-107.712.4-165.500000115.7N432 R496N432-G462 PolarHBondContact OD1-N 3.21Å; G462-R496 VanDerWaalsContact CA-CZ 3.46Å; G462-R496 VanDerWaalsContact N-CZ 3.3Å
463G84.3Confident93.9Very high27 Ų2730.2 Ų30.228%0.27817%0.173SC..  trans-74.3-174.7-177.400000114.3N432 F465N432-G463 VanDerWaalsContact O-CA 3.24Å; N432-G463 WeakPolarHBondContact O-CA 3.34Å; N432-G463 WeakPolarHBondContact OD1-CA 3.32Å; N432-G463 PolarHBondContact OD1-N 3.25Å; G463-F465 WeakPolarHBondContact O-CD2 3.27Å; G463-F465 VanDerWaalsContact O-CE2 3.26Å; G463-F465 WeakPolarHBondContact O-CE2 3.42Å
464K88.6Confident93.7Very high178 Ų17834 Ų3477%0.77419%0.193SC*.  trans-97.2129.6-176.4-65.3-179.7-178.5176.80108.8G433G433-K464 CarbonylContact C-O 3.57Å; G433-K464 WeakPolarHBondContact CA-O 3.21Å
465F93.4Very high93.4Very high14 Ų1443.4 Ų43.46%0.06124%0.235CC..  trans-119.617.6-173.5-57.2-74.9000114.3G433 G463 E467 M468 E469 F492 Q494G433-F465 VanDerWaalsContact CA-CD1 3.45Å; G433-F465 VanDerWaalsContact CA-CE1 3.4Å; G463-F465 WeakPolarHBondContact O-CD2 3.27Å; G463-F465 VanDerWaalsContact O-CE2 3.26Å; G463-F465 WeakPolarHBondContact O-CE2 3.42Å; F465-E467 PolarHBondContact O-N 3.3Å; F465-M468 HydrophobicContact CB-CB 4.32Å; F465-M468 HydrophobicContact CB-CG 4.27Å; F465-M468 HydrophobicContact CD1-CG 4.1Å; F465-M468 WeakPolarHBondContact O-CA 3.45Å; F465-M468 WeakPolarHBondContact O-CB 3.39Å; F465-M468 PolarHBondContact O-N 3.15Å; F465-E469 PolarHBondContact O-N 3.45Å; F465-F492 HydrophobicContact CB-CE1 3.82Å; F465-F492 HydrophobicContact CB-CE2 4.15Å; F465-F492 HydrophobicContact CB-CZ 3.28Å; F465-F492 AromaticContact CD1-CE2 3.99Å; F465-F492 HydrophobicContact CD1-CE2 3.99Å; F465-F492 AromaticContact CD1-CZ 3.86Å; F465-F492 HydrophobicContact CD1-CZ 3.86Å; F465-F492 HydrophobicContact CD2-CZ 4.36Å; F465-F492 HydrophobicContact CG-CE2 4.21Å; F465-F492 AromaticContact CG-CZ 3.6Å; F465-F492 HydrophobicContact CG-CZ 3.6Å; F465-Q494 HydrophobicContact CB-CG 4.36Å; F465-Q494 HydrophobicContact CD2-CG 3.83Å; F465-Q494 HydrophobicContact CE2-CG 4.42Å; F465-Q494 HydrophobicContact CG-CG 4.21Å
466S93.3Very high93.2Very high76 Ų7645.5 Ų45.553%0.53126%0.257SS..Hα-helixtrans-59.9-31.7-179.351.90000113.1M468 I470S466-M468 VanDerWaalsContact C-N 3.35Å; S466-I470 WeakPolarHBondContact O-CG1 3.37Å; S466-I470 PolarHBondContact O-N 3.04Å
467E94Very high93.2Very high61 Ų6148.8 Ų48.829%0.28527%0.274SS..Hα-helixtrans-69.7-35.4173.8-69.7175.7158.200111.3W438 F465 I470 L471W438-E467 HydrophobicContact CE3-CB 4.18Å; W438-E467 HydrophobicContact CE3-CG 4.49Å; W438-E467 HydrophobicContact CH2-CB 3.91Å; W438-E467 WeakPolarHBondContact CH2-O 3.42Å; W438-E467 HydrophobicContact CZ2-CB 4.33Å; W438-E467 HydrophobicContact CZ3-CB 3.81Å; F465-E467 PolarHBondContact O-N 3.3Å; E467-I470 WeakPolarHBondContact O-CB 3.47Å; E467-I470 PolarHBondContact O-N 3.13Å; E467-I470 VanDerWaalsContact O-N 3.09Å; E467-L471 PolarHBondContact O-N 3.36Å
468M95.4Very high93.2Very high0 Ų049.1 Ų49.10%028%0.276CS..Hα-helixtrans-70.6-35.1-180-51.3-61.889.800111.3F404 V435 W438 V457 F465 S466 I470 L471 D472 F492F404-M468 HydrophobicContact CE2-CE 4.18Å; F404-M468 HydrophobicContact CE2-SD 3.7Å; F404-M468 HydrophobicContact CZ-SD 4.28Å; V435-M468 HydrophobicContact CB-CE 4.43Å; V435-M468 HydrophobicContact CG2-CE 3.43Å; V435-M468 VanDerWaalsContact CG2-CE 3.43Å; V435-M468 HydrophobicContact CG2-SD 4.32Å; W438-M468 HydrophobicContact CZ3-CE 4.07Å; V457-M468 HydrophobicContact CG1-CG 4.21Å; V457-M468 HydrophobicContact CG1-SD 3.65Å; F465-M468 HydrophobicContact CB-CB 4.32Å; F465-M468 HydrophobicContact CB-CG 4.27Å; F465-M468 HydrophobicContact CD1-CG 4.1Å; F465-M468 WeakPolarHBondContact O-CA 3.45Å; F465-M468 WeakPolarHBondContact O-CB 3.39Å; F465-M468 PolarHBondContact O-N 3.15Å; S466-M468 VanDerWaalsContact C-N 3.35Å; M468-I470 PolarHBondContact O-N 3.27Å; M468-L471 HydrophobicContact CE-CD1 3.71Å; M468-L471 HydrophobicContact CE-CG 4.33Å; M468-L471 PolarHBondContact O-N 3.01Å; M468-L471 VanDerWaalsContact O-N 3.12Å; M468-L471 HydrophobicContact SD-CD1 4.13Å; M468-D472 PolarHBondContact O-N 3.33Å; M468-F492 HydrophobicContact CB-CB 4.42Å; M468-F492 HydrophobicContact CB-CD1 3.86Å; M468-F492 HydrophobicContact CB-CD2 3.35Å; M468-F492 HydrophobicContact CB-CE1 3.93Å; M468-F492 HydrophobicContact CB-CE2 3.46Å; M468-F492 VanDerWaalsContact CB-CE2 3.46Å; M468-F492 HydrophobicContact CB-CG 3.58Å; M468-F492 HydrophobicContact CB-CZ 3.76Å; M468-F492 HydrophobicContact CG-CD2 4.12Å; M468-F492 HydrophobicContact CG-CE2 3.92Å; M468-F492 HydrophobicContact CG-CZ 4.37Å
469E94.5Very high93.2Very high95 Ų9555.1 Ų55.144%0.44430%0.302SS..Hα-helixtrans-61.9-25.6170.6-65.7171.6177.200112.6F465 F492 Q494F465-E469 PolarHBondContact O-N 3.45Å; E469-F492 HydrophobicContact CG-CD1 4.02Å; E469-F492 HydrophobicContact CG-CE1 3.9Å; E469-Q494 PolarHBondContact OE1-NE2 3.19Å
470I95.8Very high93.3Very high95 Ų9556.2 Ų56.249%0.48731%0.308SS..Hα-helixtrans-81-38.6172.7-62.9166.7000110.8W438 S466 E467 M468 D472 Q473 L478W438-I470 HydrophobicContact CH2-CB 4.24Å; W438-I470 HydrophobicContact CH2-CG2 4.33Å; W438-I470 HydrophobicContact CZ2-CB 4.14Å; W438-I470 HydrophobicContact CZ2-CD1 4.48Å; W438-I470 HydrophobicContact CZ2-CG2 3.96Å; S466-I470 WeakPolarHBondContact O-CG1 3.37Å; S466-I470 PolarHBondContact O-N 3.04Å; E467-I470 WeakPolarHBondContact O-CB 3.47Å; E467-I470 PolarHBondContact O-N 3.13Å; E467-I470 VanDerWaalsContact O-N 3.09Å; M468-I470 PolarHBondContact O-N 3.27Å; I470-D472 PolarHBondContact O-N 3Å; I470-Q473 PolarHBondContact O-N 3.48Å; I470-L478 HydrophobicContact CG2-CD2 3.95Å; I470-L478 WeakPolarHBondContact O-CD2 2.91Å
471L96.5Very high93.5Very high3 Ų359.4 Ų59.42%0.01634%0.341CS..Hα-helixtrans-62.1-32.1175-70.9-175.1000112.3W438 T441 K442 V445 E467 M468 Q473 L478 V490W438-L471 HydrophobicContact CH2-CD1 4.45Å; W438-L471 HydrophobicContact CH2-CD2 3.5Å; W438-L471 VanDerWaalsContact CH2-CD2 3.5Å; W438-L471 HydrophobicContact CH2-CG 3.56Å; W438-L471 HydrophobicContact CZ3-CD1 3.92Å; W438-L471 HydrophobicContact CZ3-CD2 3.53Å; W438-L471 HydrophobicContact CZ3-CG 3.52Å; T441-L471 HydrophobicContact CG2-CD1 4.14Å; T441-L471 HydrophobicContact CG2-CD2 4.32Å; K442-L471 HydrophobicContact CG-CD2 4.31Å; V445-L471 HydrophobicContact CG2-CD2 4.16Å; E467-L471 PolarHBondContact O-N 3.36Å; M468-L471 HydrophobicContact CE-CD1 3.71Å; M468-L471 HydrophobicContact CE-CG 4.33Å; M468-L471 PolarHBondContact O-N 3.01Å; M468-L471 VanDerWaalsContact O-N 3.12Å; M468-L471 HydrophobicContact SD-CD1 4.13Å; L471-Q473 WeakPolarHBondContact O-CG 3.29Å; L471-Q473 PolarHBondContact O-N 2.94Å; L471-L478 HydrophobicContact CD2-CD1 3.88Å; L471-V490 HydrophobicContact CB-CG1 4.1Å; L471-V490 WeakPolarHBondContact O-CB 3.35Å; L471-V490 WeakPolarHBondContact O-CG2 3.32Å
472D96.4Very high93.8Very high9 Ų968.3 Ų68.35%0.04838%0.38CS..THydrogen-bonded Turntrans-62.5-15.3-179-15325.4000114.5M468 I470 D474 D488 Q491 F492M468-D472 PolarHBondContact O-N 3.33Å; I470-D472 PolarHBondContact O-N 3Å; D472-D474 PolarHBondContact O-N 3Å; D472-D488 VanDerWaalsContact O-OD2 3.09Å; D472-Q491 VanDerWaalsContact OD1-CA 3.3Å; D472-Q491 WeakPolarHBondContact OD1-CA 3.14Å; D472-Q491 PolarHBondContact OD1-OE1 3.18Å; D472-F492 HydrophobicContact CB-CB 3.87Å; D472-F492 PolarHBondContact OD1-N 3.18Å
473Q96.2Very high94.5Very high9 Ų971 Ų714%0.04238%0.379CS..  trans562.8174-67.9174.5107.700117.9I470 L471 F475 G476 L478 D488I470-Q473 PolarHBondContact O-N 3.48Å; L471-Q473 WeakPolarHBondContact O-CG 3.29Å; L471-Q473 PolarHBondContact O-N 2.94Å; Q473-F475 PolarHBondContact O-N 3.3Å; Q473-G476 CarbonylContact O-C 3.57Å; Q473-G476 PolarHBondContact O-N 2.93Å; Q473-L478 HydrophobicContact CG-CB 4.35Å; Q473-L478 HydrophobicContact CG-CD1 4.26Å; Q473-L478 HydrophobicContact CG-CG 3.67Å; Q473-D488 HydrophobicContact CB-CB 4.42Å; Q473-D488 PolarHBondContact NE2-OD1 3.38Å
474D93.5Very high95.1Very high80 Ų8074.1 Ų74.143%0.42839%0.386SS..THydrogen-bonded Turntrans-47-34176.6-111.3-13.3000113.3D472 K667D472-D474 PolarHBondContact O-N 3Å; D474-K667 IonicContact OD2-NZ 3.72Å; D474-K667 PolarHBondContact OD2-NZ 3.34Å
475F92.1Very high95.6Very high198 Ų19865.8 Ų65.887%0.86835%0.351SS*.THydrogen-bonded Turntrans-101.9-9.5-178.9-58.3-73.5000114.4Q473Q473-F475 PolarHBondContact O-N 3.3Å
476G95Very high95.8Very high46 Ų4666.4 Ų66.447%0.47436%0.356SS..SBendtrans160.3142.3-177.100000113.3Q473Q473-G476 CarbonylContact O-C 3.57Å; Q473-G476 PolarHBondContact O-N 2.93Å
477L97.7Very high96Very high70 Ų7062.9 Ų62.937%0.36633%0.331SS..  trans-59.2140.8-179.1-63.1173.6000112.4Q484 A485 R487L477-Q484 HydrophobicContact CB-CG 4.29Å; L477-A485 HydrophobicContact CB-CB 4.39Å; L477-A485 WeakPolarHBondContact CD1-O 3.39Å; L477-R487 VanDerWaalsContact CD2-C 3.45Å
478L97.4Very high96.2Very high8 Ų861.3 Ų61.34%0.04233%0.325CS..  trans-60.7142.1178.8-77.5174.5000111.2K442 V445 I446 I470 L471 Q473 Q484 A485K442-L478 HydrophobicContact CD-CD2 4.19Å; K442-L478 HydrophobicContact CG-CD2 4.26Å; V445-L478 HydrophobicContact CB-CD1 3.85Å; V445-L478 HydrophobicContact CG1-CD1 3.49Å; V445-L478 VanDerWaalsContact CG1-CD1 3.49Å; I446-L478 HydrophobicContact CD1-CB 4.28Å; I446-L478 HydrophobicContact CG1-CB 3.91Å; I470-L478 HydrophobicContact CG2-CD2 3.95Å; I470-L478 WeakPolarHBondContact O-CD2 2.91Å; L471-L478 HydrophobicContact CD2-CD1 3.88Å; Q473-L478 HydrophobicContact CG-CB 4.35Å; Q473-L478 HydrophobicContact CG-CD1 4.26Å; Q473-L478 HydrophobicContact CG-CG 3.67Å; L478-Q484 CarbonylContact O-C 3.58Å; L478-Q484 VanDerWaalsContact O-CA 3.32Å; L478-Q484 WeakPolarHBondContact O-CA 3.22Å; L478-Q484 WeakPolarHBondContact O-CG 3.17Å; L478-A485 HydrophobicContact CB-CB 4.27Å; L478-A485 PolarHBondContact O-N 3.46Å
479K97.1Very high96.3Very high125 Ų12561.3 Ų61.354%0.54333%0.325SS..EExtended strand (participates in β ladder)trans-138.9135.9178-167.6175.9-179.5169.80111.6G481 E483 Q484K479-G481 WeakPolarHBondContact CE-O 3.37Å; K479-E483 CarbonylContact C-O 3.5Å; K479-E483 WeakPolarHBondContact CA-O 3.17Å; K479-E483 WeakPolarHBondContact CG-O 3.48Å; K479-Q484 HydrophobicContact CG-CB 4.41Å
480V97.2Very high96.5Very high25 Ų2556.9 Ų56.915%0.15230%0.304CS..EExtended strand (participates in β ladder)trans-134.9106.2172-179.20000108.6I439 K442 K443 I446 Q482 E483I439-V480 HydrophobicContact CG2-CG1 4.49Å; K442-V480 HydrophobicContact CB-CG2 3.6Å; K442-V480 HydrophobicContact CD-CG2 4.26Å; K443-V480 HydrophobicContact CG-CB 4.29Å; K443-V480 HydrophobicContact CG-CG1 4.01Å; K443-V480 HydrophobicContact CG-CG2 4.36Å; I446-V480 HydrophobicContact CD1-CB 4.07Å; I446-V480 HydrophobicContact CD1-CG2 3.8Å; V480-Q482 PolarHBondContact O-N 2.97Å; V480-E483 PolarHBondContact N-O 3.17Å; V480-E483 PolarHBondContact O-N 3.01Å
481G95.3Very high96.6Very high67 Ų6752.5 Ų52.569%0.69128%0.282SS*.THydrogen-bonded Turntrans63.1-117.5-17500000111.6K479K479-G481 WeakPolarHBondContact CE-O 3.37Å
482Q94.7Very high96.6Very high197 Ų19753 Ų5392%0.92128%0.284SS*.THydrogen-bonded Turntrans-91.3-15.2176.2-67.1-175-24.800113.3V480V480-Q482 PolarHBondContact O-N 2.97Å
483E95.9Very high96.6Very high107 Ų10752.8 Ų52.850%0.528%0.283SS..EExtended strand (participates in β ladder)trans-80.6135.4-179.7-62.4174.1178.900109.9I446 K479 V480I446-E483 HydrophobicContact CG2-CB 4.28Å; K479-E483 CarbonylContact C-O 3.5Å; K479-E483 WeakPolarHBondContact CA-O 3.17Å; K479-E483 WeakPolarHBondContact CG-O 3.48Å; V480-E483 PolarHBondContact N-O 3.17Å; V480-E483 PolarHBondContact O-N 3.01Å
484Q97.8Very high96.5Very high94 Ų9455 Ų5544%0.43929%0.293SS..EExtended strand (participates in β ladder)trans-137.1139.3178.5-171.5-179.5-31.500109.2L477 L478 K479L477-Q484 HydrophobicContact CB-CG 4.29Å; L478-Q484 CarbonylContact O-C 3.58Å; L478-Q484 VanDerWaalsContact O-CA 3.32Å; L478-Q484 WeakPolarHBondContact O-CA 3.22Å; L478-Q484 WeakPolarHBondContact O-CG 3.17Å; K479-Q484 HydrophobicContact CG-CB 4.41Å
485A98.2Very high96.4Very high3 Ų351.1 Ų51.13%0.02527%0.272CS..  trans-59147.4171.700000110.1I446 S449 L477 L478I446-A485 HydrophobicContact CG1-CB 4.14Å; S449-A485 WeakPolarHBondContact OG-CA 3.04Å; L477-A485 HydrophobicContact CB-CB 4.39Å; L477-A485 WeakPolarHBondContact CD1-O 3.39Å; L478-A485 HydrophobicContact CB-CB 4.27Å; L478-A485 PolarHBondContact O-N 3.46Å
486C97.3Very high96.2Very high26 Ų2647.4 Ų47.418%0.17625%0.252CS..SBendtrans-100.4-11.5-172.784.30000113.8S449 F450 K534S449-C486 PolarHBondContact O-SG 2.67Å; S449-C486 PolarHBondContact OG-N 3.39Å; F450-C486 HydrophobicContact CD1-CB 3.85Å; F450-C486 VanDerWaalsContact CD1-SG 3.58Å; F450-C486 HydrophobicContact CE1-CB 3.36Å; F450-C486 HydrophobicContact CE2-CB 4.13Å; F450-C486 HydrophobicContact CG-CB 4.43Å; F450-C486 HydrophobicContact CZ-CB 3.52Å; C486-K534 PolarHBondContact O-NZ 2.88Å; C486-K534 PolarHBondContact SG-NZ 3.3Å
487R97.7Very high95.8Very high3 Ų352.2 Ų52.21%0.01126%0.256CS..SBendtrans-159.5165.1176.261.1178.2-177.897.4-2.7108.6Y424 S449 L451 I453 L477 N489 Q527 E530Y424-R487 PolarHBondContact OH-NH1 3.35Å; Y424-R487 PolarHBondContact OH-NH2 3.45Å; S449-R487 WeakPolarHBondContact O-CD 3.36Å; S449-R487 WeakPolarHBondContact O-CG 3.47Å; S449-R487 PolarHBondContact O-NE 3.21Å; L451-R487 PolarHBondContact O-NH2 3.16Å; I453-R487 PolarHBondContact O-NH2 3.22Å; L477-R487 VanDerWaalsContact CD2-C 3.45Å; R487-N489 HydrophobicContact CG-CB 4.49Å; R487-Q527 PolarHBondContact NH1-O 3.37Å; R487-E530 VanDerWaalsContact CB-CD 3.41Å; R487-E530 HydrophobicContact CB-CG 4.17Å; R487-E530 WeakPolarHBondContact CB-OE1 3.38Å
488D97.9Very high95.3Very high28 Ų2849.8 Ų49.815%0.1524%0.243CC..  trans-73.9133.2162.6-161.3-11.7000109.9D472 Q473 V490D472-D488 VanDerWaalsContact O-OD2 3.09Å; Q473-D488 HydrophobicContact CB-CB 4.42Å; Q473-D488 PolarHBondContact NE2-OD1 3.38Å; D488-V490 PolarHBondContact OD1-N 2.99Å; D488-V490 VanDerWaalsContact OD1-N 3.11Å
489N98.1Very high94.3Very high0 Ų052.6 Ų52.60%026%0.258CS..  trans-144.512.3179.879.8-51.2000112.5T448 S449 I453 S454 I455 R487T448-N489 PolarHBondContact OG1-ND2 2.66Å; S449-N489 PolarHBondContact N-ND2 3.08Å; I453-N489 PolarHBondContact O-ND2 3.03Å; S454-N489 CarbonylContact C-O 3.42Å; S454-N489 VanDerWaalsContact CA-O 3.32Å; S454-N489 WeakPolarHBondContact CA-O 3.48Å; I455-N489 PolarHBondContact N-O 3.4Å; R487-N489 HydrophobicContact CG-CB 4.49Å
490V98.5Very high93.1Very high1 Ų152.8 Ų52.81%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-116.7143.1177-178.10000107.9V445 I455 V457 L471 D488 Q527V445-V490 HydrophobicContact CG1-CG2 3.5Å; V445-V490 VanDerWaalsContact CG1-CG2 3.5Å; I455-V490 HydrophobicContact CB-CG2 4.31Å; I455-V490 CarbonylContact O-C 3.54Å; I455-V490 WeakPolarHBondContact O-CA 3.39Å; V457-V490 HydrophobicContact CG2-CG1 4.24Å; L471-V490 HydrophobicContact CB-CG1 4.1Å; L471-V490 WeakPolarHBondContact O-CB 3.35Å; L471-V490 WeakPolarHBondContact O-CG2 3.32Å; D488-V490 PolarHBondContact OD1-N 2.99Å; D488-V490 VanDerWaalsContact OD1-N 3.11Å; V490-Q527 PolarHBondContact O-NE2 2.73Å
491Q97.6Very high91.6Very high3 Ų357.1 Ų57.11%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-127.6121.2166.6170.960.7-21.900108.8I455 I456 V457 D472 V493 E519 V520 E523I455-Q491 PolarHBondContact O-N 2.64Å; I456-Q491 CarbonylContact C-O 3.51Å; I456-Q491 WeakPolarHBondContact CA-O 3.1Å; V457-Q491 PolarHBondContact N-O 2.8Å; D472-Q491 VanDerWaalsContact OD1-CA 3.3Å; D472-Q491 WeakPolarHBondContact OD1-CA 3.14Å; D472-Q491 PolarHBondContact OD1-OE1 3.18Å; Q491-V493 HydrophobicContact CG-CG2 4.29Å; Q491-E519 PolarHBondContact NE2-O 2.84Å; Q491-V520 WeakPolarHBondContact CG-O 3.29Å; Q491-E523 PolarHBondContact OE1-OE1 2.96Å
492F97.2Very high90.1Very high14 Ų1454.3 Ų54.36%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-107.5128.2179.1173.7-116.3000112.5V457 F465 M468 E469 D472 Q494V457-F492 HydrophobicContact CB-CD2 4.03Å; V457-F492 HydrophobicContact CG1-CD2 4.02Å; V457-F492 HydrophobicContact CG1-CE2 4.46Å; V457-F492 WeakPolarHBondContact O-CA 3.31Å; V457-F492 VanDerWaalsContact O-CD2 3.23Å; V457-F492 WeakPolarHBondContact O-CD2 3.38Å; F465-F492 HydrophobicContact CB-CE1 3.82Å; F465-F492 HydrophobicContact CB-CE2 4.15Å; F465-F492 HydrophobicContact CB-CZ 3.28Å; F465-F492 AromaticContact CD1-CE2 3.99Å; F465-F492 HydrophobicContact CD1-CE2 3.99Å; F465-F492 AromaticContact CD1-CZ 3.86Å; F465-F492 HydrophobicContact CD1-CZ 3.86Å; F465-F492 HydrophobicContact CD2-CZ 4.36Å; F465-F492 HydrophobicContact CG-CE2 4.21Å; F465-F492 AromaticContact CG-CZ 3.6Å; F465-F492 HydrophobicContact CG-CZ 3.6Å; M468-F492 HydrophobicContact CB-CB 4.42Å; M468-F492 HydrophobicContact CB-CD1 3.86Å; M468-F492 HydrophobicContact CB-CD2 3.35Å; M468-F492 HydrophobicContact CB-CE1 3.93Å; M468-F492 HydrophobicContact CB-CE2 3.46Å; M468-F492 VanDerWaalsContact CB-CE2 3.46Å; M468-F492 HydrophobicContact CB-CG 3.58Å; M468-F492 HydrophobicContact CB-CZ 3.76Å; M468-F492 HydrophobicContact CG-CD2 4.12Å; M468-F492 HydrophobicContact CG-CE2 3.92Å; M468-F492 HydrophobicContact CG-CZ 4.37Å; E469-F492 HydrophobicContact CG-CD1 4.02Å; E469-F492 HydrophobicContact CG-CE1 3.9Å; D472-F492 HydrophobicContact CB-CB 3.87Å; D472-F492 PolarHBondContact OD1-N 3.18Å; F492-Q494 HydrophobicContact CE1-CG 3.62Å; F492-Q494 HydrophobicContact CE2-CG 4.34Å; F492-Q494 HydrophobicContact CZ-CB 4.41Å; F492-Q494 HydrophobicContact CZ-CG 3.29Å
493V95.8Very high88.7Confident4 Ų449.5 Ų49.52%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-131.6130.6176.2-178.40000111.1V457 L458 G459 Q491 F498 L516 E519 V520V457-V493 PolarHBondContact O-N 2.89Å; L458-V493 WeakPolarHBondContact CA-O 3.5Å; L458-V493 HydrophobicContact CD1-CB 3.99Å; L458-V493 HydrophobicContact CD1-CG1 4.08Å; L458-V493 WeakPolarHBondContact CD1-O 3.47Å; G459-V493 PolarHBondContact N-O 3.07Å; Q491-V493 HydrophobicContact CG-CG2 4.29Å; V493-F498 HydrophobicContact CG1-CD2 4.36Å; V493-F498 HydrophobicContact CG1-CE2 3.49Å; V493-F498 VanDerWaalsContact CG1-CE2 3.49Å; V493-F498 HydrophobicContact CG1-CZ 4.2Å; V493-L516 HydrophobicContact CG1-CD1 4.02Å; V493-E519 HydrophobicContact CG1-CB 4.35Å; V493-E519 HydrophobicContact CG1-CG 4.16Å; V493-E519 HydrophobicContact CG2-CB 4.29Å; V493-E519 HydrophobicContact CG2-CG 3.82Å; V493-V520 HydrophobicContact CB-CG2 3.84Å; V493-V520 HydrophobicContact CG1-CG2 3.92Å; V493-V520 HydrophobicContact CG2-CB 4.39Å; V493-V520 HydrophobicContact CG2-CG2 3.82Å
494Q94.7Very high87.5Confident55 Ų5549.1 Ų49.126%0.25724%0.242SC..EExtended strand (participates in β ladder)trans-85.9112.4168.2-68.1176.428.100109.7F465 E469 F492 R496 R497F465-Q494 HydrophobicContact CB-CG 4.36Å; F465-Q494 HydrophobicContact CD2-CG 3.83Å; F465-Q494 HydrophobicContact CE2-CG 4.42Å; F465-Q494 HydrophobicContact CG-CG 4.21Å; E469-Q494 PolarHBondContact OE1-NE2 3.19Å; F492-Q494 HydrophobicContact CE1-CG 3.62Å; F492-Q494 HydrophobicContact CE2-CG 4.34Å; F492-Q494 HydrophobicContact CZ-CB 4.41Å; F492-Q494 HydrophobicContact CZ-CG 3.29Å; Q494-R496 PolarHBondContact O-N 2.93Å; Q494-R497 HydrophobicContact CB-CG 4.06Å; Q494-R497 WeakPolarHBondContact O-CB 3.32Å; Q494-R497 PolarHBondContact O-N 3.19Å
495M91.2Very high86Confident0 Ų048 Ų480%026%0.256CS..G310 helixtrans-57.6-46.9-175.2-168.7-173.6173.900111.9E329 V332 A333 L458 G459 V460 R497 F498 W511 L516E329-M495 HydrophobicContact CB-CE 4.25Å; E329-M495 HydrophobicContact CB-SD 4.01Å; E329-M495 WeakPolarHBondContact O-CE 3.45Å; V332-M495 HydrophobicContact CB-CE 3.72Å; V332-M495 HydrophobicContact CG1-CE 3.58Å; A333-M495 HydrophobicContact CB-CE 4.33Å; A333-M495 HydrophobicContact CB-SD 4Å; L458-M495 HydrophobicContact CD1-CB 3.97Å; G459-M495 WeakPolarHBondContact O-CB 3.41Å; G459-M495 PolarHBondContact O-N 3.04Å; V460-M495 HydrophobicContact CG1-SD 4.18Å; V460-M495 HydrophobicContact CG2-SD 4.14Å; M495-R497 PolarHBondContact O-N 3.37Å; M495-F498 WeakPolarHBondContact O-CD2 3.44Å; M495-F498 PolarHBondContact O-N 2.87Å; M495-W511 HydrophobicContact CB-CZ3 4.48Å; M495-W511 HydrophobicContact CE-CD2 3.73Å; M495-W511 HydrophobicContact CE-CE3 3.91Å; M495-W511 HydrophobicContact CE-CG 4.3Å; M495-W511 HydrophobicContact CE-CH2 4Å; M495-W511 HydrophobicContact CE-CZ2 3.85Å; M495-W511 HydrophobicContact CE-CZ3 4.05Å; M495-W511 HydrophobicContact CG-CE3 4.21Å; M495-W511 HydrophobicContact CG-CH2 3.9Å; M495-W511 HydrophobicContact CG-CZ3 3.69Å; M495-W511 WeakPolarHBondContact O-CZ3 3.46Å; M495-W511 HydrophobicContact SD-CH2 4.11Å; M495-W511 HydrophobicContact SD-CZ2 4.33Å; M495-W511 HydrophobicContact SD-CZ3 4.38Å; M495-L516 HydrophobicContact CE-CD2 4.18Å; M495-L516 HydrophobicContact CG-CD1 4.33Å; M495-L516 HydrophobicContact CG-CD2 3.97Å
496R88.2Confident84.5Confident119 Ų11950 Ų5045%0.44927%0.27SS..G310 helixtrans-55.3-19.4-177.3-75.1-170.1174.9174.92.9115.3E329 G461 G462 Q494 F498 L499 W511E329-R496 IonicContact OE1-NE 2.74Å; G461-R496 VanDerWaalsContact C-NE 3.26Å; G461-R496 WeakPolarHBondContact O-CD 3.08Å; G461-R496 PolarHBondContact O-NE 3.39Å; G461-R496 VanDerWaalsContact O-NE 3.12Å; G462-R496 VanDerWaalsContact CA-CZ 3.46Å; G462-R496 VanDerWaalsContact N-CZ 3.3Å; Q494-R496 PolarHBondContact O-N 2.93Å; R496-F498 PolarHBondContact O-N 3.13Å; R496-F498 VanDerWaalsContact O-N 3.15Å; R496-L499 HydrophobicContact CB-CD1 4.29Å; R496-L499 HydrophobicContact CG-CD1 4.24Å; R496-L499 PolarHBondContact O-N 3.34Å; R496-W511 HydrophobicContact CG-CH2 4.15Å
497R86.9Confident83.1Confident147 Ų14756 Ų5656%0.55530%0.301SS*.G310 helixtrans-62.6-16.3173.3-67.2176.462.7-174.5-8.2113.2Q494 M495Q494-R497 HydrophobicContact CB-CG 4.06Å; Q494-R497 WeakPolarHBondContact O-CB 3.32Å; Q494-R497 PolarHBondContact O-N 3.19Å; M495-R497 PolarHBondContact O-N 3.37Å
498F85.9Confident81.6Confident19 Ų1958.1 Ų58.18%0.08332%0.316CS..G310 helixtrans-107.910.2-175.5-56.8-84.8000113.9V493 M495 R496 S512 A515 L516 E519V493-F498 HydrophobicContact CG1-CD2 4.36Å; V493-F498 HydrophobicContact CG1-CE2 3.49Å; V493-F498 VanDerWaalsContact CG1-CE2 3.49Å; V493-F498 HydrophobicContact CG1-CZ 4.2Å; M495-F498 WeakPolarHBondContact O-CD2 3.44Å; M495-F498 PolarHBondContact O-N 2.87Å; R496-F498 PolarHBondContact O-N 3.13Å; R496-F498 VanDerWaalsContact O-N 3.15Å; F498-S512 PolarHBondContact O-N 3.48Å; F498-A515 HydrophobicContact CD1-CB 3.75Å; F498-A515 HydrophobicContact CE1-CB 4.19Å; F498-A515 VanDerWaalsContact CE1-O 3.24Å; F498-A515 WeakPolarHBondContact CE1-O 3.46Å; F498-L516 HydrophobicContact CB-CB 4.18Å; F498-L516 HydrophobicContact CD1-CB 4.47Å; F498-L516 HydrophobicContact CD2-CB 4.34Å; F498-L516 HydrophobicContact CD2-CD1 3.57Å; F498-L516 HydrophobicContact CE2-CD1 3.97Å; F498-L516 HydrophobicContact CG-CB 4.07Å; F498-L516 HydrophobicContact CG-CD1 4.16Å; F498-E519 HydrophobicContact CE1-CB 4.06Å; F498-E519 HydrophobicContact CE2-CB 4.3Å; F498-E519 HydrophobicContact CZ-CB 3.46Å; F498-E519 VanDerWaalsContact CZ-CB 3.46Å; F498-E519 HydrophobicContact CZ-CG 3.8Å
499L78.2Confident80.1Confident67 Ų6762.3 Ų62.335%0.35134%0.337SS..EExtended strand (participates in β ladder)trans-64.7129.8163.6-69.6170.9000109.2R496 I509 W511R496-L499 HydrophobicContact CB-CD1 4.29Å; R496-L499 HydrophobicContact CG-CD1 4.24Å; R496-L499 PolarHBondContact O-N 3.34Å; L499-I509 HydrophobicContact CB-CG2 3.81Å; L499-I509 HydrophobicContact CD2-CG2 3.57Å; L499-I509 HydrophobicContact CG-CG2 4.17Å; L499-W511 HydrophobicContact CB-CZ3 4.42Å; L499-W511 HydrophobicContact CD1-CH2 4.13Å; L499-W511 HydrophobicContact CD1-CZ3 4.39Å; L499-W511 HydrophobicContact CD2-CD2 3.63Å; L499-W511 VanDerWaalsContact CD2-CE2 3.48Å; L499-W511 HydrophobicContact CD2-CE3 3.59Å; L499-W511 HydrophobicContact CD2-CH2 3.36Å; L499-W511 HydrophobicContact CD2-CZ2 3.37Å; L499-W511 HydrophobicContact CD2-CZ3 3.43Å; L499-W511 VanDerWaalsContact CD2-CZ3 3.43Å; L499-W511 HydrophobicContact CG-CD2 4.46Å; L499-W511 HydrophobicContact CG-CE3 3.92Å; L499-W511 HydrophobicContact CG-CH2 3.55Å; L499-W511 HydrophobicContact CG-CZ2 4.11Å; L499-W511 HydrophobicContact CG-CZ3 3.41Å; L499-W511 VanDerWaalsContact CG-CZ3 3.41Å
500R71.3Confident78.9Confident130 Ų13069.1 Ų69.149%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-134.2151.7173.9-64.3-169.9179.7179.50.5109.9I509 R510R500-I509 CarbonylContact O-C 3.55Å; R500-I509 WeakPolarHBondContact O-CA 3.31Å; R500-R510 PolarHBondContact N-O 2.97Å; R500-R510 PolarHBondContact O-N 3.16Å
501L65.4Low77.7Confident115 Ų11571.2 Ų71.260%0.60237%0.37SS*.EExtended strand (participates in β ladder)trans-58.8142.2163.5-77.9147.6000109.1
502A64.4Low76.9Confident9 Ų972.5 Ų72.57%0.07438%0.38CS..  trans-61.1139.5177.600000110.9D504 G505 S506 S508 R510A502-D504 WeakPolarHBondContact CB-OD1 3.33Å; A502-D504 PolarHBondContact O-N 3.36Å; A502-G505 PolarHBondContact O-N 2.66Å; A502-S506 WeakPolarHBondContact CB-OG 3.46Å; A502-S508 WeakPolarHBondContact CB-O 3.46Å; A502-S508 VanDerWaalsContact CB-OG 3.23Å; A502-S508 WeakPolarHBondContact CB-OG 3.46Å; A502-S508 PolarHBondContact N-O 3.35Å; A502-R510 HydrophobicContact CB-CG 4.06Å
503A63.8Low76.2Confident96 Ų9675.3 Ų75.379%0.79339%0.392SS*.THydrogen-bonded Turntrans-71.3-12-179.300000113.3G505A503-G505 PolarHBondContact O-N 3.23Å
504D72.2Confident75.5Confident98 Ų9878 Ų7852%0.52441%0.408SS..THydrogen-bonded Turntrans-79.21.8177.359.915000113.3A502 S506 R510A502-D504 WeakPolarHBondContact CB-OD1 3.33Å; A502-D504 PolarHBondContact O-N 3.36Å; D504-S506 VanDerWaalsContact C-N 3.25Å; D504-S506 PolarHBondContact O-N 3.34Å; D504-S506 VanDerWaalsContact OD1-CB 3.24Å; D504-S506 WeakPolarHBondContact OD1-CB 3.4Å; D504-S506 PolarHBondContact OD1-N 2.72Å; D504-S506 PolarHBondContact OD1-OG 3.36Å; D504-R510 IonicContact OD2-CZ 3.06Å; D504-R510 IonicContact OD2-NH2 2.77Å; D504-R510 PolarHBondContact OD2-NH2 2.96Å
505G65.1Low75.2Confident71 Ų7176.3 Ų76.373%0.73240%0.403SS*.SBendtrans79.82.3-178.600000114A502 A503A502-G505 PolarHBondContact O-N 2.66Å; A503-G505 PolarHBondContact O-N 3.23Å
506S67.1Low75.2Confident45 Ų4576.3 Ų76.332%0.31540%0.403SS..  trans-73.8147.916968.50000110.8A502 D504 S508A502-S506 WeakPolarHBondContact CB-OG 3.46Å; D504-S506 VanDerWaalsContact C-N 3.25Å; D504-S506 PolarHBondContact O-N 3.34Å; D504-S506 VanDerWaalsContact OD1-CB 3.24Å; D504-S506 WeakPolarHBondContact OD1-CB 3.4Å; D504-S506 PolarHBondContact OD1-N 2.72Å; D504-S506 PolarHBondContact OD1-OG 3.36Å; S506-S508 PolarHBondContact O-N 3.02Å; S506-S508 WeakPolarHBondContact OG-CB 3.27Å; S506-S508 PolarHBondContact OG-OG 2.94Å
507D67.3Low75.4Confident153 Ų15370.8 Ų70.882%0.81838%0.383SS*.SBendtrans-67.510.4169.7-69.1-33.1000112.7I509D507-I509 PolarHBondContact O-N 3.14Å
508S67.1Low75.6Confident47 Ų4768.4 Ų68.433%0.32938%0.377SS..  trans-72.3126177.572.90000110.1A502 S506A502-S508 WeakPolarHBondContact CB-O 3.46Å; A502-S508 VanDerWaalsContact CB-OG 3.23Å; A502-S508 WeakPolarHBondContact CB-OG 3.46Å; A502-S508 PolarHBondContact N-O 3.35Å; S506-S508 PolarHBondContact O-N 3.02Å; S506-S508 WeakPolarHBondContact OG-CB 3.27Å; S506-S508 PolarHBondContact OG-OG 2.94Å
509I65.1Low76Confident115 Ų11569.5 Ų69.559%0.5938%0.382SS*.EExtended strand (participates in β ladder)trans-81.7123.9174.8-58.1171000107.7L499 R500 D507L499-I509 HydrophobicContact CB-CG2 3.81Å; L499-I509 HydrophobicContact CD2-CG2 3.57Å; L499-I509 HydrophobicContact CG-CG2 4.17Å; R500-I509 CarbonylContact O-C 3.55Å; R500-I509 WeakPolarHBondContact O-CA 3.31Å; D507-I509 PolarHBondContact O-N 3.14Å
510R73.9Confident76.8Confident143 Ų14366.4 Ų66.454%0.5437%0.366SS..EExtended strand (participates in β ladder)trans-119.5149.7175.8-65.1-168.5-171-163.510111.3R500 A502 D504R500-R510 PolarHBondContact N-O 2.97Å; R500-R510 PolarHBondContact O-N 3.16Å; A502-R510 HydrophobicContact CB-CG 4.06Å; D504-R510 IonicContact OD2-CZ 3.06Å; D504-R510 IonicContact OD2-NH2 2.77Å; D504-R510 PolarHBondContact OD2-NH2 2.96Å
511W73.6Confident78Confident46 Ų4660.2 Ų60.217%0.17434%0.343CS..EExtended strand (participates in β ladder)trans-77.3128.7172.3-63.4105.3000110.7E329 V332 M495 R496 L499 K513E329-W511 HydrophobicContact CB-CZ2 4.28Å; E329-W511 HydrophobicContact CG-CZ2 3.7Å; V332-W511 HydrophobicContact CG1-CB 3.8Å; V332-W511 HydrophobicContact CG1-CD2 4.48Å; V332-W511 HydrophobicContact CG1-CG 3.78Å; M495-W511 HydrophobicContact CB-CZ3 4.48Å; M495-W511 HydrophobicContact CE-CD2 3.73Å; M495-W511 HydrophobicContact CE-CE3 3.91Å; M495-W511 HydrophobicContact CE-CG 4.3Å; M495-W511 HydrophobicContact CE-CH2 4Å; M495-W511 HydrophobicContact CE-CZ2 3.85Å; M495-W511 HydrophobicContact CE-CZ3 4.05Å; M495-W511 HydrophobicContact CG-CE3 4.21Å; M495-W511 HydrophobicContact CG-CH2 3.9Å; M495-W511 HydrophobicContact CG-CZ3 3.69Å; M495-W511 WeakPolarHBondContact O-CZ3 3.46Å; M495-W511 HydrophobicContact SD-CH2 4.11Å; M495-W511 HydrophobicContact SD-CZ2 4.33Å; M495-W511 HydrophobicContact SD-CZ3 4.38Å; R496-W511 HydrophobicContact CG-CH2 4.15Å; L499-W511 HydrophobicContact CB-CZ3 4.42Å; L499-W511 HydrophobicContact CD1-CH2 4.13Å; L499-W511 HydrophobicContact CD1-CZ3 4.39Å; L499-W511 HydrophobicContact CD2-CD2 3.63Å; L499-W511 VanDerWaalsContact CD2-CE2 3.48Å; L499-W511 HydrophobicContact CD2-CE3 3.59Å; L499-W511 HydrophobicContact CD2-CH2 3.36Å; L499-W511 HydrophobicContact CD2-CZ2 3.37Å; L499-W511 HydrophobicContact CD2-CZ3 3.43Å; L499-W511 VanDerWaalsContact CD2-CZ3 3.43Å; L499-W511 HydrophobicContact CG-CD2 4.46Å; L499-W511 HydrophobicContact CG-CE3 3.92Å; L499-W511 HydrophobicContact CG-CH2 3.55Å; L499-W511 HydrophobicContact CG-CZ2 4.11Å; L499-W511 HydrophobicContact CG-CZ3 3.41Å; L499-W511 VanDerWaalsContact CG-CZ3 3.41Å; W511-K513 VanDerWaalsContact C-N 3.33Å; W511-K513 PolarHBondContact O-N 3.22Å; W511-K513 VanDerWaalsContact O-N 3.07Å
512S80.6Confident79.3Confident30 Ų3057.5 Ų57.521%0.2134%0.337CS..  trans-79.185.8164.6-1730000109.4F498 V514 A515 L516F498-S512 PolarHBondContact O-N 3.48Å; S512-V514 PolarHBondContact O-N 2.78Å; S512-A515 PolarHBondContact O-N 3.02Å; S512-A515 VanDerWaalsContact OG-CB 3.29Å; S512-A515 WeakPolarHBondContact OG-CB 3.33Å; S512-A515 PolarHBondContact OG-N 2.88Å; S512-L516 WeakPolarHBondContact O-CB 3.36Å; S512-L516 PolarHBondContact O-N 2.89Å
513K81.6Confident80.8Confident73 Ų7358.6 Ų58.632%0.31734%0.34SS..Hα-helixtrans-55.7-39.3-180-60.3-171.2-162.7179.70112.3V332 Q335 A336 W511 L516 A517V332-K513 HydrophobicContact CG1-CG 4.17Å; Q335-K513 VanDerWaalsContact NE2-NZ 3.11Å; A336-K513 HydrophobicContact CB-CB 4.5Å; W511-K513 VanDerWaalsContact C-N 3.33Å; W511-K513 PolarHBondContact O-N 3.22Å; W511-K513 VanDerWaalsContact O-N 3.07Å; K513-L516 PolarHBondContact O-N 2.74Å; K513-A517 WeakPolarHBondContact O-CB 3.48Å; K513-A517 PolarHBondContact O-N 2.77Å
514V83Confident82.4Confident61 Ų6154.1 Ų54.137%0.3730%0.303SS..Hα-helixtrans-62.9-48.1177.4179.50000111.5E66 S512 L516 A517 K518E66-V514 HydrophobicContact CG-CG1 4.44Å; S512-V514 PolarHBondContact O-N 2.78Å; V514-L516 VanDerWaalsContact C-N 3.31Å; V514-L516 PolarHBondContact O-N 3.03Å; V514-A517 PolarHBondContact O-N 3.24Å; V514-K518 VanDerWaalsContact O-CB 3.26Å; V514-K518 WeakPolarHBondContact O-CB 3.33Å; V514-K518 PolarHBondContact O-N 2.8Å
515A87.6Confident83.6Confident19 Ų1950.7 Ų50.716%0.15729%0.286CS..Hα-helixtrans-67.9-34.6178.800000112.1F498 S512 E519F498-A515 HydrophobicContact CD1-CB 3.75Å; F498-A515 HydrophobicContact CE1-CB 4.19Å; F498-A515 VanDerWaalsContact CE1-O 3.24Å; F498-A515 WeakPolarHBondContact CE1-O 3.46Å; S512-A515 PolarHBondContact O-N 3.02Å; S512-A515 VanDerWaalsContact OG-CB 3.29Å; S512-A515 WeakPolarHBondContact OG-CB 3.33Å; S512-A515 PolarHBondContact OG-N 2.88Å; A515-E519 PolarHBondContact O-N 2.81Å
516L91.4Very high85Confident0 Ų050.7 Ų50.70%028%0.275CS..Hα-helixtrans-63.8-53.7174.5176.961.6000111A336 L458 V493 M495 F498 S512 K513 V514 K518 E519 V520A336-L516 HydrophobicContact CB-CD2 3.82Å; A336-L516 HydrophobicContact CB-CG 4.24Å; L458-L516 HydrophobicContact CD1-CD1 3.94Å; V493-L516 HydrophobicContact CG1-CD1 4.02Å; M495-L516 HydrophobicContact CE-CD2 4.18Å; M495-L516 HydrophobicContact CG-CD1 4.33Å; M495-L516 HydrophobicContact CG-CD2 3.97Å; F498-L516 HydrophobicContact CB-CB 4.18Å; F498-L516 HydrophobicContact CD1-CB 4.47Å; F498-L516 HydrophobicContact CD2-CB 4.34Å; F498-L516 HydrophobicContact CD2-CD1 3.57Å; F498-L516 HydrophobicContact CE2-CD1 3.97Å; F498-L516 HydrophobicContact CG-CB 4.07Å; F498-L516 HydrophobicContact CG-CD1 4.16Å; S512-L516 WeakPolarHBondContact O-CB 3.36Å; S512-L516 PolarHBondContact O-N 2.89Å; K513-L516 PolarHBondContact O-N 2.74Å; V514-L516 VanDerWaalsContact C-N 3.31Å; V514-L516 PolarHBondContact O-N 3.03Å; L516-K518 PolarHBondContact O-N 2.61Å; L516-E519 PolarHBondContact O-N 2.95Å; L516-V520 HydrophobicContact CD1-CG2 3.8Å; L516-V520 HydrophobicContact CG-CG2 4.2Å; L516-V520 WeakPolarHBondContact O-CB 3.41Å; L516-V520 WeakPolarHBondContact O-CG2 3.49Å; L516-V520 PolarHBondContact O-N 2.88Å
517A91.7Very high86.5Confident3 Ų348.8 Ų48.83%0.02526%0.261CS..Hα-helixtrans-56.5-41.6177.300000111.8A336 I340 K513 V514 E519 V520 L521A336-A517 WeakPolarHBondContact O-CB 3.1Å; I340-A517 HydrophobicContact CD1-CB 3.55Å; K513-A517 WeakPolarHBondContact O-CB 3.48Å; K513-A517 PolarHBondContact O-N 2.77Å; V514-A517 PolarHBondContact O-N 3.24Å; A517-E519 VanDerWaalsContact C-N 3.35Å; A517-E519 PolarHBondContact O-N 2.87Å; A517-V520 PolarHBondContact O-N 3.18Å; A517-L521 WeakPolarHBondContact O-CB 3.44Å; A517-L521 WeakPolarHBondContact O-CG 3.26Å; A517-L521 PolarHBondContact O-N 2.9Å
518K91.4Very high87.9Confident96 Ų9641.5 Ų41.542%0.41722%0.222SC..Hα-helixtrans-57.7-43.3177.2177.8160.8-168.2166.70113.7E65 V514 L516 A522E65-K518 HydrophobicContact CG-CB 3.93Å; E65-K518 HydrophobicContact CG-CD 4.49Å; E65-K518 HydrophobicContact CG-CG 3.86Å; V514-K518 VanDerWaalsContact O-CB 3.26Å; V514-K518 WeakPolarHBondContact O-CB 3.33Å; V514-K518 PolarHBondContact O-N 2.8Å; L516-K518 PolarHBondContact O-N 2.61Å; K518-A522 WeakPolarHBondContact O-CB 3.33Å; K518-A522 PolarHBondContact O-N 3.25Å
519E93.9Very high89.3Confident43 Ų4341.7 Ų41.720%0.20122%0.219CC..Hα-helixtrans-74.8-42.1176.5-165.680.2-179.900111.3Q491 V493 F498 A515 L516 A517 L521 A522 K667Q491-E519 PolarHBondContact NE2-O 2.84Å; V493-E519 HydrophobicContact CG1-CB 4.35Å; V493-E519 HydrophobicContact CG1-CG 4.16Å; V493-E519 HydrophobicContact CG2-CB 4.29Å; V493-E519 HydrophobicContact CG2-CG 3.82Å; F498-E519 HydrophobicContact CE1-CB 4.06Å; F498-E519 HydrophobicContact CE2-CB 4.3Å; F498-E519 HydrophobicContact CZ-CB 3.46Å; F498-E519 VanDerWaalsContact CZ-CB 3.46Å; F498-E519 HydrophobicContact CZ-CG 3.8Å; A515-E519 PolarHBondContact O-N 2.81Å; L516-E519 PolarHBondContact O-N 2.95Å; A517-E519 VanDerWaalsContact C-N 3.35Å; A517-E519 PolarHBondContact O-N 2.87Å; E519-L521 VanDerWaalsContact C-N 3.31Å; E519-L521 PolarHBondContact O-N 2.78Å; E519-A522 PolarHBondContact O-N 3.4Å; E519-K667 WeakPolarHBondContact OE1-CE 3.48Å
520V95.5Very high90.8Very high1 Ų140.1 Ų40.11%0.00621%0.209CC..Hα-helixtrans-64.2-35.8-176.31720000112.4V337 I456 L458 Q491 V493 L516 A517V337-V520 HydrophobicContact CG2-CB 4.44Å; V337-V520 HydrophobicContact CG2-CG1 3.59Å; I456-V520 HydrophobicContact CD1-CG1 4.13Å; I456-V520 HydrophobicContact CG2-CG1 3.48Å; I456-V520 VanDerWaalsContact CG2-CG1 3.48Å; L458-V520 HydrophobicContact CD1-CG2 4.03Å; L458-V520 HydrophobicContact CD2-CG2 4.47Å; Q491-V520 WeakPolarHBondContact CG-O 3.29Å; V493-V520 HydrophobicContact CB-CG2 3.84Å; V493-V520 HydrophobicContact CG1-CG2 3.92Å; V493-V520 HydrophobicContact CG2-CB 4.39Å; V493-V520 HydrophobicContact CG2-CG2 3.82Å; L516-V520 HydrophobicContact CD1-CG2 3.8Å; L516-V520 HydrophobicContact CG-CG2 4.2Å; L516-V520 WeakPolarHBondContact O-CB 3.41Å; L516-V520 WeakPolarHBondContact O-CG2 3.49Å; L516-V520 PolarHBondContact O-N 2.88Å; A517-V520 PolarHBondContact O-N 3.18Å
521L96.3Very high91.9Very high1 Ų134.5 Ų34.51%0.00519%0.188CC..THydrogen-bonded Turntrans-1011-175.5-59.8-179.4000113.5F64 E65 V337 I340 L341 I456 A517 E519 E523 L524 P525F64-L521 HydrophobicContact CD1-CB 4.24Å; F64-L521 HydrophobicContact CE1-CB 3.99Å; E65-L521 HydrophobicContact CB-CB 3.9Å; V337-L521 HydrophobicContact CG1-CD2 4.26Å; I340-L521 HydrophobicContact CB-CD1 3.92Å; I340-L521 HydrophobicContact CD1-CD1 3.72Å; I340-L521 HydrophobicContact CG1-CD1 4.46Å; I340-L521 HydrophobicContact CG2-CD1 3.7Å; L341-L521 HydrophobicContact CD1-CD2 3.89Å; L341-L521 HydrophobicContact CD2-CD1 4.33Å; L341-L521 HydrophobicContact CD2-CD2 3.86Å; L341-L521 HydrophobicContact CG-CD1 4.44Å; L341-L521 HydrophobicContact CG-CD2 3.89Å; I456-L521 HydrophobicContact CD1-CD2 3.95Å; A517-L521 WeakPolarHBondContact O-CB 3.44Å; A517-L521 WeakPolarHBondContact O-CG 3.26Å; A517-L521 PolarHBondContact O-N 2.9Å; E519-L521 VanDerWaalsContact C-N 3.31Å; E519-L521 PolarHBondContact O-N 2.78Å; L521-E523 VanDerWaalsContact C-N 3.32Å; L521-E523 PolarHBondContact O-N 3.12Å; L521-L524 HydrophobicContact CD2-CD2 4.35Å; L521-L524 PolarHBondContact O-N 3.36Å; L521-P525 WeakPolarHBondContact O-CD 3.43Å
522A93.4Very high92.9Very high57 Ų5732.4 Ų32.447%0.47118%0.18SC..SBendtrans-56.6-41.9-171.200000113.7K518 E519K518-A522 WeakPolarHBondContact O-CB 3.33Å; K518-A522 PolarHBondContact O-N 3.25Å; E519-A522 PolarHBondContact O-N 3.4Å
523E95.7Very high93.6Very high33 Ų3334.2 Ų34.215%0.15419%0.188CC..SBendtrans-94.1-15.4-171.3-59.4-170.7-176.400113.4Q491 L521 S526 Q527Q491-E523 PolarHBondContact OE1-OE1 2.96Å; L521-E523 VanDerWaalsContact C-N 3.32Å; L521-E523 PolarHBondContact O-N 3.12Å; E523-S526 PolarHBondContact O-N 3.44Å; E523-S526 VanDerWaalsContact O-N 3.11Å; E523-S526 PolarHBondContact O-OG 2.76Å; E523-Q527 HydrophobicContact CB-CG 4.24Å; E523-Q527 VanDerWaalsContact O-CG 3.31Å; E523-Q527 WeakPolarHBondContact O-CG 3.11Å; E523-Q527 PolarHBondContact O-N 2.86Å; E523-Q527 PolarHBondContact OE2-NE2 2.8Å; E523-Q527 VanDerWaalsContact OE2-NE2 3.14Å
524L97.6Very high94.1Very high2 Ų235.4 Ų35.41%0.0119%0.193CC..Hα-helixtrans-59-45-171-176.962.3000112.5F64 L341 Y424 V426 L521 S526 Q527 I528F64-L524 HydrophobicContact CE1-CB 4.08Å; F64-L524 HydrophobicContact CE1-CD2 3.86Å; F64-L524 HydrophobicContact CE1-CG 4.25Å; F64-L524 HydrophobicContact CZ-CD2 3.74Å; F64-L524 HydrophobicContact CZ-CG 4.36Å; L341-L524 HydrophobicContact CD1-CD2 4.41Å; L341-L524 HydrophobicContact CD2-CD2 3.84Å; Y424-L524 HydrophobicContact CE1-CD1 4.2Å; V426-L524 HydrophobicContact CG2-CD1 3.72Å; V426-L524 HydrophobicContact CG2-CD2 3.89Å; V426-L524 HydrophobicContact CG2-CG 4.45Å; L521-L524 HydrophobicContact CD2-CD2 4.35Å; L521-L524 PolarHBondContact O-N 3.36Å; L524-S526 PolarHBondContact O-N 2.79Å; L524-Q527 PolarHBondContact O-N 2.98Å; L524-I528 HydrophobicContact CD1-CD1 4.02Å; L524-I528 HydrophobicContact CD1-CG1 4.21Å; L524-I528 HydrophobicContact CG-CD1 3.9Å; L524-I528 WeakPolarHBondContact O-CB 3.45Å; L524-I528 VanDerWaalsContact O-CG1 3.25Å; L524-I528 WeakPolarHBondContact O-CG1 3.14Å; L524-I528 PolarHBondContact O-N 3.37Å
525P96.6Very high94.7Very high26 Ų2635.9 Ų35.917%0.16919%0.193CC..Hα-helixtrans-58.2-43.3175.1-26.436.5000113.6F64 F286 L521 L529F64-P525 HydrophobicContact CB-CG 4.19Å; F64-P525 HydrophobicContact CD1-CG 3.5Å; F64-P525 VanDerWaalsContact CD1-CG 3.5Å; F64-P525 HydrophobicContact CE1-CG 4.02Å; F64-P525 HydrophobicContact CG-CG 3.87Å; F286-P525 HydrophobicContact CB-CB 4.48Å; F286-P525 HydrophobicContact CD1-CB 4.46Å; F286-P525 HydrophobicContact CD2-CB 3.94Å; F286-P525 HydrophobicContact CE2-CB 4.29Å; F286-P525 HydrophobicContact CG-CB 4.03Å; L521-P525 WeakPolarHBondContact O-CD 3.43Å; P525-L529 VanDerWaalsContact O-CG 3.31Å; P525-L529 WeakPolarHBondContact O-CG 3.32Å; P525-L529 PolarHBondContact O-N 3.23Å
526S95.7Very high94.9Very high70 Ų7043.2 Ų43.249%0.4922%0.224SC..Hα-helixtrans-69.7-39.7178.638.50000112.7E523 L524 I528 L529 E530E523-S526 PolarHBondContact O-N 3.44Å; E523-S526 VanDerWaalsContact O-N 3.11Å; E523-S526 PolarHBondContact O-OG 2.76Å; L524-S526 PolarHBondContact O-N 2.79Å; S526-I528 VanDerWaalsContact C-N 3.32Å; S526-I528 PolarHBondContact O-N 3.17Å; S526-L529 PolarHBondContact O-N 3.39Å; S526-E530 WeakPolarHBondContact O-CB 3.3Å; S526-E530 PolarHBondContact O-N 3.13Å
527Q97.7Very high95.1Very high5 Ų544.9 Ų44.92%0.02323%0.233CC..Hα-helixtrans-63.6-39.4177.5-70.2176.40.700111.2S454 R487 V490 E523 L524 Y531S454-Q527 VanDerWaalsContact CB-OE1 3.25Å; S454-Q527 WeakPolarHBondContact OG-CB 3.45Å; S454-Q527 PolarHBondContact OG-OE1 3.38Å; R487-Q527 PolarHBondContact NH1-O 3.37Å; V490-Q527 PolarHBondContact O-NE2 2.73Å; E523-Q527 HydrophobicContact CB-CG 4.24Å; E523-Q527 VanDerWaalsContact O-CG 3.31Å; E523-Q527 WeakPolarHBondContact O-CG 3.11Å; E523-Q527 PolarHBondContact O-N 2.86Å; E523-Q527 PolarHBondContact OE2-NE2 2.8Å; E523-Q527 VanDerWaalsContact OE2-NE2 3.14Å; L524-Q527 PolarHBondContact O-N 2.98Å; Q527-Y531 PolarHBondContact O-N 2.91Å
528I97.5Very high95.1Very high0 Ų048.1 Ų48.10%026%0.255CS..Hα-helixtrans-61.9-51.4173-70.7167.4000110.4F286 L294 I296 Y424 L524 S526 E530 Y531 L532F286-I528 HydrophobicContact CE2-CD1 3.95Å; L294-I528 HydrophobicContact CD2-CG2 3.84Å; I296-I528 HydrophobicContact CD1-CD1 4.1Å; Y424-I528 HydrophobicContact CD1-CD1 4.03Å; Y424-I528 HydrophobicContact CD1-CG1 3.6Å; Y424-I528 HydrophobicContact CD2-CB 4.44Å; Y424-I528 HydrophobicContact CD2-CG1 3.92Å; Y424-I528 HydrophobicContact CD2-CG2 4.3Å; Y424-I528 HydrophobicContact CE1-CD1 4.23Å; Y424-I528 HydrophobicContact CE1-CG1 3.46Å; Y424-I528 VanDerWaalsContact CE1-CG1 3.46Å; Y424-I528 HydrophobicContact CE2-CB 4.25Å; Y424-I528 HydrophobicContact CE2-CG1 3.81Å; Y424-I528 HydrophobicContact CG-CD1 4.37Å; Y424-I528 HydrophobicContact CG-CG1 3.82Å; L524-I528 HydrophobicContact CD1-CD1 4.02Å; L524-I528 HydrophobicContact CD1-CG1 4.21Å; L524-I528 HydrophobicContact CG-CD1 3.9Å; L524-I528 WeakPolarHBondContact O-CB 3.45Å; L524-I528 VanDerWaalsContact O-CG1 3.25Å; L524-I528 WeakPolarHBondContact O-CG1 3.14Å; L524-I528 PolarHBondContact O-N 3.37Å; S526-I528 VanDerWaalsContact C-N 3.32Å; S526-I528 PolarHBondContact O-N 3.17Å; I528-E530 VanDerWaalsContact C-N 3.33Å; I528-E530 PolarHBondContact O-N 3.34Å; I528-Y531 PolarHBondContact O-N 2.82Å; I528-L532 HydrophobicContact CG2-CD1 3.53Å; I528-L532 HydrophobicContact CG2-CG 4.38Å; I528-L532 VanDerWaalsContact O-CG 3.31Å; I528-L532 WeakPolarHBondContact O-CG 3.46Å; I528-L532 PolarHBondContact O-N 2.89Å
529L95.9Very high95.2Very high51 Ų5144.2 Ų44.227%0.26724%0.239SC..Hα-helixtrans-61.9-39.1-179.4-73.4176.1000112.6F286 Y289 P525 S526 L532 D533F286-L529 HydrophobicContact CB-CD1 4.11Å; F286-L529 HydrophobicContact CB-CD2 4.47Å; F286-L529 HydrophobicContact CB-CG 4.36Å; Y289-L529 HydrophobicContact CD2-CD2 3.79Å; Y289-L529 HydrophobicContact CE2-CD2 3.68Å; P525-L529 VanDerWaalsContact O-CG 3.31Å; P525-L529 WeakPolarHBondContact O-CG 3.32Å; P525-L529 PolarHBondContact O-N 3.23Å; S526-L529 PolarHBondContact O-N 3.39Å; L529-L532 PolarHBondContact O-N 3.21Å; L529-D533 WeakPolarHBondContact O-CB 3.39Å; L529-D533 PolarHBondContact O-N 2.89Å
530E96Very high95.1Very high82 Ų8247 Ų4738%0.38325%0.252SS..Hα-helixtrans-62.4-43.5177.2-173.3178.6177.300111.5R487 S526 I528 K534R487-E530 VanDerWaalsContact CB-CD 3.41Å; R487-E530 HydrophobicContact CB-CG 4.17Å; R487-E530 WeakPolarHBondContact CB-OE1 3.38Å; S526-E530 WeakPolarHBondContact O-CB 3.3Å; S526-E530 PolarHBondContact O-N 3.13Å; I528-E530 VanDerWaalsContact C-N 3.33Å; I528-E530 PolarHBondContact O-N 3.34Å; E530-K534 WeakPolarHBondContact O-CB 3.33Å; E530-K534 PolarHBondContact O-N 3.32Å; E530-K534 VanDerWaalsContact O-N 3.08Å
531Y96.9Very high94.9Very high25 Ų2552.2 Ų52.210%0.09828%0.277CS..Hα-helixtrans-61.4-48.8174.8172.1-93.8000111.8Y424 L451 P452 Q527 I528 N535 L537Y424-Y531 HydrophobicContact CD2-CD1 4.45Å; Y424-Y531 HydrophobicContact CE2-CD1 4.24Å; Y424-Y531 HydrophobicContact CE2-CG 4.28Å; L451-Y531 VanDerWaalsContact O-CD2 3.3Å; L451-Y531 WeakPolarHBondContact O-CD2 3.41Å; L451-Y531 WeakPolarHBondContact O-CE2 3.33Å; P452-Y531 HydrophobicContact CB-CD1 3.97Å; P452-Y531 HydrophobicContact CB-CE1 3.5Å; P452-Y531 VanDerWaalsContact CB-CE1 3.5Å; P452-Y531 HydrophobicContact CB-CE2 4.24Å; P452-Y531 WeakPolarHBondContact CD-OH 3.2Å; P452-Y531 HydrophobicContact CG-CE1 4.33Å; Q527-Y531 PolarHBondContact O-N 2.91Å; I528-Y531 PolarHBondContact O-N 2.82Å; Y531-N535 WeakPolarHBondContact CD2-ND2 3.31Å; Y531-N535 WeakPolarHBondContact CE2-ND2 3.49Å; Y531-N535 PolarHBondContact O-N 2.96Å; Y531-N535 VanDerWaalsContact O-N 3.11Å; Y531-N535 PolarHBondContact O-ND2 3.18Å; Y531-L537 HydrophobicContact CE1-CD1 3.84Å
532L95.7Very high94.5Very high2 Ų260.2 Ų60.21%0.0132%0.318CS..Hα-helixtrans-66.7-43.9-175.5-66.6165.9000111.9Y289 L294 A421 I528 L529 N535 H536 L537Y289-L532 HydrophobicContact CD1-CD1 3.65Å; Y289-L532 HydrophobicContact CD1-CD2 4.48Å; Y289-L532 HydrophobicContact CD2-CD1 3.74Å; Y289-L532 HydrophobicContact CE1-CB 4.12Å; Y289-L532 HydrophobicContact CE1-CD1 3.72Å; Y289-L532 HydrophobicContact CE1-CD2 4.21Å; Y289-L532 HydrophobicContact CE1-CG 4.24Å; Y289-L532 HydrophobicContact CE2-CB 4.31Å; Y289-L532 HydrophobicContact CE2-CD1 3.83Å; Y289-L532 HydrophobicContact CG-CD1 3.66Å; L294-L532 HydrophobicContact CD2-CD1 4.29Å; A421-L532 HydrophobicContact CB-CD2 4.05Å; I528-L532 HydrophobicContact CG2-CD1 3.53Å; I528-L532 HydrophobicContact CG2-CG 4.38Å; I528-L532 VanDerWaalsContact O-CG 3.31Å; I528-L532 WeakPolarHBondContact O-CG 3.46Å; I528-L532 PolarHBondContact O-N 2.89Å; L529-L532 PolarHBondContact O-N 3.21Å; L532-N535 CarbonylContact O-C 3.58Å; L532-N535 PolarHBondContact O-N 3.1Å; L532-H536 PolarHBondContact O-N 3.36Å; L532-L537 HydrophobicContact CD2-CB 3.96Å; L532-L537 HydrophobicContact CD2-CD1 3.94Å; L532-L537 PolarHBondContact O-N 2.98Å
533D93.7Very high94.4Very high68 Ų6858.3 Ų58.336%0.36430%0.301SS..Hα-helixtrans-63.6-44.9177.8-177.559.4000111.5K283 L529 N535 H536K283-D533 WeakPolarHBondContact CD-OD1 3.5Å; K283-D533 VanDerWaalsContact CE-OD1 3.29Å; K283-D533 WeakPolarHBondContact CE-OD1 3.5Å; K283-D533 IonicContact NZ-OD1 2.68Å; K283-D533 PolarHBondContact NZ-OD1 3.37Å; K283-D533 VanDerWaalsContact NZ-OD1 3.11Å; K283-D533 IonicContact NZ-OD2 3.79Å; K283-D533 PolarHBondContact NZ-OD2 3.46Å; L529-D533 WeakPolarHBondContact O-CB 3.39Å; L529-D533 PolarHBondContact O-N 2.89Å; D533-N535 VanDerWaalsContact C-N 3.28Å; D533-N535 PolarHBondContact O-N 2.72Å; D533-H536 PolarHBondContact O-N 3.29Å; D533-H536 VanDerWaalsContact O-N 3.09Å; D533-H536 PolarHBondContact O-ND1 2.82Å
534K93.8Very high93.9Very high98 Ų9857.7 Ų57.743%0.42630%0.3SS..Hα-helixtrans-63.6-33.1179.2-173.9174.7-171.61720113.1C486 E530C486-K534 PolarHBondContact O-NZ 2.88Å; C486-K534 PolarHBondContact SG-NZ 3.3Å; E530-K534 WeakPolarHBondContact O-CB 3.33Å; E530-K534 PolarHBondContact O-N 3.32Å; E530-K534 VanDerWaalsContact O-N 3.08Å
535N93.8Very high93.5Very high72 Ų7261.4 Ų61.439%0.38531%0.314SS..THydrogen-bonded Turntrans-93.36.1177-69.2-77.1000113.2Y531 L532 D533 L537Y531-N535 WeakPolarHBondContact CD2-ND2 3.31Å; Y531-N535 WeakPolarHBondContact CE2-ND2 3.49Å; Y531-N535 PolarHBondContact O-N 2.96Å; Y531-N535 VanDerWaalsContact O-N 3.11Å; Y531-N535 PolarHBondContact O-ND2 3.18Å; L532-N535 CarbonylContact O-C 3.58Å; L532-N535 PolarHBondContact O-N 3.1Å; D533-N535 VanDerWaalsContact C-N 3.28Å; D533-N535 PolarHBondContact O-N 2.72Å; N535-L537 HydrophobicContact CB-CD1 3.96Å; N535-L537 HydrophobicContact CB-CG 3.88Å; N535-L537 PolarHBondContact O-N 3.21Å
536H93.1Very high93.1Very high172 Ų17263.8 Ų63.880%0.79632%0.323SS*.THydrogen-bonded Turntrans54.637.1179.4-53.2-47.1000113.7L532 D533L532-H536 PolarHBondContact O-N 3.36Å; D533-H536 PolarHBondContact O-N 3.29Å; D533-H536 VanDerWaalsContact O-N 3.09Å; D533-H536 PolarHBondContact O-ND1 2.82Å
537L94.1Very high92.8Very high36 Ų3661.2 Ų61.219%0.18831%0.305CS..PPolyproline II helixtrans-90.4129.1-178.1-66.9177.6000110.5Y289 A421 Y531 L532 N535Y289-L537 WeakPolarHBondContact CE1-O 3.38Å; Y289-L537 PolarHBondContact OH-O 2.98Å; A421-L537 HydrophobicContact CB-CB 4.06Å; Y531-L537 HydrophobicContact CE1-CD1 3.84Å; L532-L537 HydrophobicContact CD2-CB 3.96Å; L532-L537 HydrophobicContact CD2-CD1 3.94Å; L532-L537 PolarHBondContact O-N 2.98Å; N535-L537 HydrophobicContact CB-CD1 3.96Å; N535-L537 HydrophobicContact CB-CG 3.88Å; N535-L537 PolarHBondContact O-N 3.21Å
538S93.4Very high92.3Very high70 Ų7069 Ų6949%0.4934%0.342SS..PPolyproline II helixtrans-98160.2173.660.20000111.5A421 Q540A421-S538 VanDerWaalsContact CB-O 3.25Å; A421-S538 WeakPolarHBondContact CB-O 3.26Å; S538-Q540 PolarHBondContact O-N 3.08Å
539P93.5Very high91.9Very high14 Ų1475.4 Ų75.49%0.09137%0.369CS..PPolyproline II helixtrans-50.9140.7169.3-24.933.2000111.6F284 D288 Y289 V543F284-P539 HydrophobicContact CB-CG 4.13Å; F284-P539 HydrophobicContact CD1-CG 3.61Å; F284-P539 VanDerWaalsContact CD2-CD 3.4Å; F284-P539 HydrophobicContact CD2-CG 4.27Å; F284-P539 HydrophobicContact CE1-CG 4.03Å; F284-P539 HydrophobicContact CG-CG 3.74Å; D288-P539 HydrophobicContact CB-CG 4.06Å; Y289-P539 HydrophobicContact CD1-CB 4.29Å; Y289-P539 HydrophobicContact CD1-CG 3.83Å; Y289-P539 HydrophobicContact CE1-CG 4.01Å; Y289-P539 HydrophobicContact CG-CG 4.22Å; P539-V543 HydrophobicContact CB-CG2 4.49Å
540Q90.4Very high91.7Very high101 Ų10173.9 Ų73.947%0.47236%0.362SS..SBendtrans-70.7-45.8-175.6-177.4179.428.100111.7S538S538-Q540 PolarHBondContact O-N 3.08Å
541H91.7Very high91.4Very high112 Ų11272.1 Ų72.152%0.51936%0.358SS..SBendtrans-99.7151.5175.3-57142.2000111.3G292 V543G292-H541 WeakPolarHBondContact O-CB 3.34Å; G292-H541 PolarHBondContact O-N 3.19Å; H541-V543 PolarHBondContact O-N 3.17Å
542L88.8Confident91.2Very high168 Ų16872.2 Ų72.288%0.8836%0.36SS*.PPolyproline II helixtrans-60.3127172.7-69.8172.9000109.5
543V89.6Confident91Very high18 Ų1872.1 Ų72.111%0.10936%0.36CS..PPolyproline II helixtrans-69.2123.6174.1-178.60000108.2D288 F291 P539 H541 Q546D288-V543 HydrophobicContact CB-CG2 3.82Å; D288-V543 WeakPolarHBondContact O-CG2 3.31Å; D288-V543 WeakPolarHBondContact OD1-CG1 3.4Å; F291-V543 HydrophobicContact CB-CG1 4.13Å; F291-V543 HydrophobicContact CD2-CG1 4.1Å; F291-V543 HydrophobicContact CG-CG1 4.45Å; P539-V543 HydrophobicContact CB-CG2 4.49Å; H541-V543 PolarHBondContact O-N 3.17Å; V543-Q546 HydrophobicContact CB-CG 3.97Å; V543-Q546 HydrophobicContact CG1-CG 4.03Å
544P86.7Confident90.9Very high19 Ų1970 Ų7012%0.12335%0.35CS..THydrogen-bonded Turntrans-69.4144.9-172.726.7-34.4000112.2Q546 L566P544-Q546 VanDerWaalsContact C-N 3.28Å; P544-Q546 PolarHBondContact O-N 3.24Å; P544-L566 HydrophobicContact CB-CD1 3.68Å; P544-L566 HydrophobicContact CB-CD2 3.95Å; P544-L566 HydrophobicContact CB-CG 4.31Å; P544-L566 HydrophobicContact CG-CD1 4.42Å
545R89.1Confident90.9Very high80 Ų8068.2 Ų68.230%0.30235%0.345SS..THydrogen-bonded Turntrans56.835.5172.5-54.3-70.9-167.8-157.7-5113.7W558 R561 F562 L566R545-W558 WeakPolarHBondContact O-CZ2 3.35Å; R545-R561 PolarHBondContact NE-O 3.25Å; R545-R561 VanDerWaalsContact NE-O 3.16Å; R545-F562 HydrophobicContact CB-CD2 3.9Å; R545-F562 HydrophobicContact CB-CE2 4.22Å; R545-L566 HydrophobicContact CG-CD2 4.25Å
546Q88Confident90.8Very high77 Ų7769.1 Ų69.136%0.3636%0.355SS..  trans-65.1147.8165-72-172.3-24.800110.4D288 V543 P544D288-Q546 PolarHBondContact OD1-NE2 3.04Å; V543-Q546 HydrophobicContact CB-CG 3.97Å; V543-Q546 HydrophobicContact CG1-CG 4.03Å; P544-Q546 VanDerWaalsContact C-N 3.28Å; P544-Q546 PolarHBondContact O-N 3.24Å
547A89.4Confident90.8Very high15 Ų1565.7 Ų65.712%0.12434%0.342CS..  trans-76.5123.3173.800000109.2F279 D552 L553 W558F279-A547 HydrophobicContact CZ-CB 3.95Å; A547-D552 HydrophobicContact CB-CB 4.2Å; A547-L553 HydrophobicContact CB-CD2 3.65Å; A547-L553 HydrophobicContact CB-CG 4.18Å; A547-W558 HydrophobicContact CB-CZ2 4.03Å
548E87.7Confident90.7Very high168 Ų16865.7 Ų65.779%0.78534%0.34SS*.SBendtrans-87.2-29.3179.1-64.7-179.5-175.800111D552E548-D552 PolarHBondContact N-OD2 3.22Å
549K89.3Confident90.6Very high135 Ų13563.9 Ų63.959%0.58732%0.322SS*.SBendtrans-131.2150.1178.9-60.8176.2-172.7171.80110.5F279 S551 D552F279-K549 VanDerWaalsContact CE2-C 3.43Å; K549-S551 WeakPolarHBondContact CB-OG 3.35Å; K549-S551 PolarHBondContact O-N 3.33Å; K549-D552 PolarHBondContact N-OD2 3.34Å; K549-D552 VanDerWaalsContact O-CB 3.24Å; K549-D552 WeakPolarHBondContact O-CB 3.39Å; K549-D552 PolarHBondContact O-N 2.81Å
550L89.9Confident90.5Very high20 Ų2069.4 Ų69.411%0.10534%0.341CS..G310 helixtrans-58-31.2175-71.8177.2000112.6I139 L244 L277 F279 D552 L553I139-L550 HydrophobicContact CG2-CD2 3.8Å; L244-L550 HydrophobicContact CD2-CB 3.85Å; L244-L550 HydrophobicContact CD2-CD1 4.34Å; L244-L550 HydrophobicContact CD2-CD2 3.74Å; L244-L550 HydrophobicContact CD2-CG 4.19Å; L277-L550 HydrophobicContact CB-CD1 3.58Å; F279-L550 HydrophobicContact CD1-CD2 3.68Å; F279-L550 HydrophobicContact CD2-CD2 4.14Å; F279-L550 HydrophobicContact CD2-CG 4.2Å; F279-L550 HydrophobicContact CE1-CD2 3.52Å; F279-L550 HydrophobicContact CE1-CG 4.5Å; F279-L550 HydrophobicContact CE2-CD2 4.03Å; F279-L550 HydrophobicContact CE2-CG 4.15Å; F279-L550 HydrophobicContact CG-CD2 3.98Å; F279-L550 HydrophobicContact CG-CG 4.41Å; F279-L550 HydrophobicContact CZ-CD2 3.71Å; F279-L550 HydrophobicContact CZ-CG 4.29Å; L550-D552 PolarHBondContact O-N 2.91Å; L550-L553 HydrophobicContact CD2-CD1 4.36Å; L550-L553 WeakPolarHBondContact O-CB 3.38Å; L550-L553 PolarHBondContact O-N 3.28Å
551S91.6Very high90.6Very high45 Ų4570.7 Ų70.732%0.31534%0.342SS..G310 helixtrans-63.7-24.8175.455.60000113.6L244 K549 L553 T554 N555L244-S551 PolarHBondContact O-N 3.01Å; K549-S551 WeakPolarHBondContact CB-OG 3.35Å; K549-S551 PolarHBondContact O-N 3.33Å; S551-L553 PolarHBondContact O-N 2.74Å; S551-T554 PolarHBondContact O-N 3.21Å; S551-T554 VanDerWaalsContact O-N 3.17Å; S551-T554 PolarHBondContact O-OG1 3.43Å; S551-N555 PolarHBondContact O-N 2.82Å
552D92.1Very high90.7Very high26 Ų2665.6 Ų65.614%0.13932%0.318CS..G310 helixtrans-64.2-35.7178.4-60.5-21.7000110.6A547 E548 K549 L550 T554 N555 W558A547-D552 HydrophobicContact CB-CB 4.2Å; E548-D552 PolarHBondContact N-OD2 3.22Å; K549-D552 PolarHBondContact N-OD2 3.34Å; K549-D552 VanDerWaalsContact O-CB 3.24Å; K549-D552 WeakPolarHBondContact O-CB 3.39Å; K549-D552 PolarHBondContact O-N 2.81Å; L550-D552 PolarHBondContact O-N 2.91Å; D552-T554 PolarHBondContact O-N 3.13Å; D552-T554 VanDerWaalsContact O-N 3.11Å; D552-N555 WeakPolarHBondContact O-CB 3.44Å; D552-N555 PolarHBondContact O-N 3.02Å; D552-W558 HydrophobicContact CB-CD2 4.23Å; D552-W558 HydrophobicContact CB-CG 4Å
553L90.8Very high90.9Very high0 Ų057.7 Ų57.70%028%0.277CS..G310 helixtrans-65.1-15.4178.1-57.2179.1000113.4P133 F134 L196 L244 F279 A547 L550 S551 W559P133-L553 HydrophobicContact CB-CD2 3.64Å; P133-L553 HydrophobicContact CG-CD2 3.7Å; F134-L553 HydrophobicContact CZ-CB 4.42Å; L196-L553 HydrophobicContact CD2-CD1 3.72Å; L244-L553 HydrophobicContact CD1-CB 4.17Å; L244-L553 HydrophobicContact CD2-CD1 4.42Å; F279-L553 HydrophobicContact CE1-CD1 4.27Å; F279-L553 HydrophobicContact CZ-CD1 4.34Å; A547-L553 HydrophobicContact CB-CD2 3.65Å; A547-L553 HydrophobicContact CB-CG 4.18Å; L550-L553 HydrophobicContact CD2-CD1 4.36Å; L550-L553 WeakPolarHBondContact O-CB 3.38Å; L550-L553 PolarHBondContact O-N 3.28Å; S551-L553 PolarHBondContact O-N 2.74Å; L553-W559 PolarHBondContact O-NE1 2.54Å
554T91.9Very high91.1Very high24 Ų2458.2 Ų58.215%0.14728%0.278CS..G310 helixtrans-110.3-2.7174.948.40000113.3I204 L244 N245 S551 D552 P556I204-T554 HydrophobicContact CD1-CG2 3.99Å; L244-T554 HydrophobicContact CB-CG2 3.78Å; L244-T554 HydrophobicContact CD1-CG2 3.85Å; L244-T554 HydrophobicContact CG-CG2 4.48Å; N245-T554 VanDerWaalsContact CG-OG1 3.31Å; N245-T554 WeakPolarHBondContact ND2-CB 3.37Å; N245-T554 PolarHBondContact ND2-OG1 3.21Å; N245-T554 VanDerWaalsContact ND2-OG1 3.15Å; N245-T554 PolarHBondContact OD1-OG1 2.83Å; S551-T554 PolarHBondContact O-N 3.21Å; S551-T554 VanDerWaalsContact O-N 3.17Å; S551-T554 PolarHBondContact O-OG1 3.43Å; D552-T554 PolarHBondContact O-N 3.13Å; D552-T554 VanDerWaalsContact O-N 3.11Å; T554-P556 WeakPolarHBondContact O-CD 3.42Å
555N93.2Very high91.4Very high60 Ų6057.9 Ų57.932%0.32128%0.276SS..  trans-84.6116-175.8-177.9-12.3000110.8S551 D552 D557 W558 W559S551-N555 PolarHBondContact O-N 2.82Å; D552-N555 WeakPolarHBondContact O-CB 3.44Å; D552-N555 PolarHBondContact O-N 3.02Å; N555-D557 VanDerWaalsContact C-N 3.27Å; N555-D557 PolarHBondContact O-N 2.77Å; N555-D557 PolarHBondContact OD1-N 3.35Å; N555-W558 HydrophobicContact CB-CB 3.89Å; N555-W558 PolarHBondContact O-N 3.47Å; N555-W559 VanDerWaalsContact O-CD1 3.31Å; N555-W559 PolarHBondContact O-N 3.46Å; N555-W559 VanDerWaalsContact O-N 3.15Å
556P92.1Very high91.4Very high92 Ų9258.6 Ų58.660%0.59729%0.285SS*.Hα-helixtrans-59.6-34179.4-2435.3000113.9T554 W559 R560T554-P556 WeakPolarHBondContact O-CD 3.42Å; P556-W559 PolarHBondContact O-N 2.97Å; P556-R560 WeakPolarHBondContact O-CB 3.5Å; P556-R560 PolarHBondContact O-N 3.38Å
557D92.6Very high91Very high99 Ų9957.6 Ų57.653%0.52929%0.287SS..Hα-helixtrans-74-33.9-179-67.1-31.9000112N555 R560 R561N555-D557 VanDerWaalsContact C-N 3.27Å; N555-D557 PolarHBondContact O-N 2.77Å; N555-D557 PolarHBondContact OD1-N 3.35Å; D557-R560 PolarHBondContact O-N 3.04Å; D557-R561 PolarHBondContact O-N 3.42Å
558W92.7Very high89.5Confident37 Ų3764.4 Ų64.414%0.1432%0.316CS..Hα-helixtrans-62.4-48171.6-175.593.8000110P133 R545 A547 D552 N555 R560 R561 F562P133-W558 HydrophobicContact CG-CH2 4.12Å; P133-W558 HydrophobicContact CG-CZ3 4.47Å; R545-W558 WeakPolarHBondContact O-CZ2 3.35Å; A547-W558 HydrophobicContact CB-CZ2 4.03Å; D552-W558 HydrophobicContact CB-CD2 4.23Å; D552-W558 HydrophobicContact CB-CG 4Å; N555-W558 HydrophobicContact CB-CB 3.89Å; N555-W558 PolarHBondContact O-N 3.47Å; W558-R560 VanDerWaalsContact C-N 3.33Å; W558-R560 PolarHBondContact O-N 3.26Å; W558-R561 PolarHBondContact O-N 2.99Å; W558-R561 VanDerWaalsContact O-N 3.15Å; W558-F562 HydrophobicContact CE3-CD2 4.4Å; W558-F562 AromaticContact CH2-CD2 3.27Å; W558-F562 HydrophobicContact CH2-CD2 3.27Å; W558-F562 AromaticContact CH2-CE2 3.39Å; W558-F562 HydrophobicContact CH2-CE2 3.39Å; W558-F562 HydrophobicContact CH2-CG 4.12Å; W558-F562 HydrophobicContact CH2-CZ 4.28Å; W558-F562 AromaticContact CZ2-CD2 3.77Å; W558-F562 HydrophobicContact CZ2-CD2 3.77Å; W558-F562 AromaticContact CZ2-CE2 4Å; W558-F562 HydrophobicContact CZ2-CE2 4Å; W558-F562 HydrophobicContact CZ3-CB 4.37Å; W558-F562 AromaticContact CZ3-CD2 3.64Å; W558-F562 HydrophobicContact CZ3-CD2 3.64Å; W558-F562 HydrophobicContact CZ3-CE2 4.08Å; W558-F562 HydrophobicContact CZ3-CG 4.02Å; W558-F562 PolarHBondContact O-N 3.26Å
559W91.9Very high87.3Confident31 Ų3163.1 Ų63.112%0.11731%0.314CS..Hα-helixtrans-63.4-35.1177.2-80.5112.6000113.7P133 F134 L553 N555 P556 R561 F562P133-W559 HydrophobicContact CG-CH2 3.66Å; P133-W559 HydrophobicContact CG-CZ2 4.1Å; F134-W559 HydrophobicContact CD2-CH2 4.16Å; F134-W559 HydrophobicContact CD2-CZ2 4.09Å; F134-W559 AromaticContact CE2-CH2 3.8Å; F134-W559 HydrophobicContact CE2-CH2 3.8Å; F134-W559 AromaticContact CE2-CZ2 3.3Å; F134-W559 HydrophobicContact CE2-CZ2 3.3Å; F134-W559 AromaticContact CZ-CZ2 3.92Å; F134-W559 HydrophobicContact CZ-CZ2 3.92Å; L553-W559 PolarHBondContact O-NE1 2.54Å; N555-W559 VanDerWaalsContact O-CD1 3.31Å; N555-W559 PolarHBondContact O-N 3.46Å; N555-W559 VanDerWaalsContact O-N 3.15Å; P556-W559 PolarHBondContact O-N 2.97Å; W559-R561 VanDerWaalsContact C-N 3.26Å; W559-R561 PolarHBondContact O-N 3.12Å; W559-F562 HydrophobicContact CE3-CB 4.14Å; W559-F562 AromaticContact CE3-CD1 3.86Å; W559-F562 HydrophobicContact CE3-CD1 3.86Å; W559-F562 HydrophobicContact CE3-CG 4.05Å; W559-F562 AromaticContact CZ3-CD1 3.62Å; W559-F562 HydrophobicContact CZ3-CD1 3.62Å; W559-F562 AromaticContact CZ3-CE1 3.82Å; W559-F562 HydrophobicContact CZ3-CE1 3.82Å; W559-F562 HydrophobicContact CZ3-CG 4.13Å; W559-F562 HydrophobicContact CZ3-CZ 4.48Å; W559-F562 WeakPolarHBondContact O-CB 3.16Å; W559-F562 PolarHBondContact O-N 2.98Å
560R91.2Very high85.2Confident130 Ų13061.8 Ų61.849%0.49131%0.31SS..Hα-helixtrans-61.3-36.5175.2-168.7-173.5-58.3-81.3-1111.9T55 P556 D557 W558 Q564T55-R560 HydrophobicContact CG2-CG 3.86Å; P556-R560 WeakPolarHBondContact O-CB 3.5Å; P556-R560 PolarHBondContact O-N 3.38Å; D557-R560 PolarHBondContact O-N 3.04Å; W558-R560 VanDerWaalsContact C-N 3.33Å; W558-R560 PolarHBondContact O-N 3.26Å; R560-Q564 WeakPolarHBondContact O-CG 3.39Å; R560-Q564 PolarHBondContact O-NE2 2.72Å
561R91.7Very high82.5Confident129 Ų12966.6 Ų66.649%0.48734%0.342SS..Hα-helixtrans-90.1-11.3-178.7-71.3176.7142.4166.1-5.7114.2R545 D557 W558 W559 T563 Q564 E568R545-R561 PolarHBondContact NE-O 3.25Å; R545-R561 VanDerWaalsContact NE-O 3.16Å; D557-R561 PolarHBondContact O-N 3.42Å; W558-R561 PolarHBondContact O-N 2.99Å; W558-R561 VanDerWaalsContact O-N 3.15Å; W559-R561 VanDerWaalsContact C-N 3.26Å; W559-R561 PolarHBondContact O-N 3.12Å; R561-T563 PolarHBondContact O-N 3.15Å; R561-Q564 PolarHBondContact O-N 3.26Å; R561-E568 IonicContact NH2-OE1 2.91Å
562F93.8Very high79.8Confident4 Ų469.9 Ų69.92%0.01836%0.356CS..Hα-helixtrans-58-47.8-168.7-178.3-118.9000113.1Q8 R130 E131 R545 W558 W559Q8-F562 HydrophobicContact CB-CE1 4.13Å; Q8-F562 HydrophobicContact CG-CE1 4.1Å; R130-F562 HydrophobicContact CB-CD1 4.34Å; R130-F562 HydrophobicContact CB-CE1 3.59Å; R130-F562 HydrophobicContact CB-CE2 3.82Å; R130-F562 HydrophobicContact CB-CZ 3.28Å; R130-F562 HydrophobicContact CG-CD2 4.43Å; R130-F562 HydrophobicContact CG-CE1 4.25Å; R130-F562 HydrophobicContact CG-CE2 4.11Å; R130-F562 HydrophobicContact CG-CZ 4.02Å; R130-F562 WeakPolarHBondContact CG-O 3.44Å; E131-F562 WeakPolarHBondContact O-CZ 3.34Å; R545-F562 HydrophobicContact CB-CD2 3.9Å; R545-F562 HydrophobicContact CB-CE2 4.22Å; W558-F562 HydrophobicContact CE3-CD2 4.4Å; W558-F562 AromaticContact CH2-CD2 3.27Å; W558-F562 HydrophobicContact CH2-CD2 3.27Å; W558-F562 AromaticContact CH2-CE2 3.39Å; W558-F562 HydrophobicContact CH2-CE2 3.39Å; W558-F562 HydrophobicContact CH2-CG 4.12Å; W558-F562 HydrophobicContact CH2-CZ 4.28Å; W558-F562 AromaticContact CZ2-CD2 3.77Å; W558-F562 HydrophobicContact CZ2-CD2 3.77Å; W558-F562 AromaticContact CZ2-CE2 4Å; W558-F562 HydrophobicContact CZ2-CE2 4Å; W558-F562 HydrophobicContact CZ3-CB 4.37Å; W558-F562 AromaticContact CZ3-CD2 3.64Å; W558-F562 HydrophobicContact CZ3-CD2 3.64Å; W558-F562 HydrophobicContact CZ3-CE2 4.08Å; W558-F562 HydrophobicContact CZ3-CG 4.02Å; W558-F562 PolarHBondContact O-N 3.26Å; W559-F562 HydrophobicContact CE3-CB 4.14Å; W559-F562 AromaticContact CE3-CD1 3.86Å; W559-F562 HydrophobicContact CE3-CD1 3.86Å; W559-F562 HydrophobicContact CE3-CG 4.05Å; W559-F562 AromaticContact CZ3-CD1 3.62Å; W559-F562 HydrophobicContact CZ3-CD1 3.62Å; W559-F562 AromaticContact CZ3-CE1 3.82Å; W559-F562 HydrophobicContact CZ3-CE1 3.82Å; W559-F562 HydrophobicContact CZ3-CG 4.13Å; W559-F562 HydrophobicContact CZ3-CZ 4.48Å; W559-F562 WeakPolarHBondContact O-CB 3.16Å; W559-F562 PolarHBondContact O-N 2.98Å
563T94.4Very high77Confident2 Ų271 Ų711%0.01237%0.365CS..THydrogen-bonded Turntrans-105.123177.458.90000112.7Q8 R57 C128 R561Q8-T563 HydrophobicContact CB-CG2 3.91Å; R57-T563 WeakPolarHBondContact CD-OG1 3.48Å; R57-T563 HydrophobicContact CG-CG2 3.92Å; R57-T563 VanDerWaalsContact CG-OG1 3.25Å; R57-T563 WeakPolarHBondContact CG-OG1 3.44Å; C128-T563 WeakPolarHBondContact CB-O 3.4Å; R561-T563 PolarHBondContact O-N 3.15Å
564Q93.5Very high74.5Confident29 Ų2974.4 Ų74.414%0.13639%0.389CS..SBendtrans-91.5152.5172.2-70.1-177.5-16.700110.5N53 R560 R561N53-Q564 HydrophobicContact CB-CG 4.41Å; R560-Q564 WeakPolarHBondContact O-CG 3.39Å; R560-Q564 PolarHBondContact O-NE2 2.72Å; R561-Q564 PolarHBondContact O-N 3.26Å
565P93.5Very high72.1Confident13 Ų1381.5 Ų81.58%0.08442%0.421CS..  trans-53.3147.8175.9-25.534.4000112.4S12 E104 V126S12-P565 WeakPolarHBondContact OG-CD 3.42Å; E104-P565 WeakPolarHBondContact OE2-CA 3.4Å; V126-P565 HydrophobicContact CB-CG 4.03Å; V126-P565 HydrophobicContact CG1-CB 4.26Å; V126-P565 HydrophobicContact CG1-CG 3.77Å; V126-P565 HydrophobicContact CG2-CG 4.37Å
566L88.2Confident69.7Low95 Ų9584.9 Ų84.950%0.49744%0.439SS..SBendtrans-76.1-28.8-178.4-68.1172.4000113.3E104 P544 R545E104-L566 PolarHBondContact OE2-N 3.3Å; P544-L566 HydrophobicContact CB-CD1 3.68Å; P544-L566 HydrophobicContact CB-CD2 3.95Å; P544-L566 HydrophobicContact CB-CG 4.31Å; P544-L566 HydrophobicContact CG-CD1 4.42Å; R545-L566 HydrophobicContact CG-CD2 4.25Å
567S79.4Confident67.4Low56 Ų5686.1 Ų86.139%0.39244%0.436SS..  trans-99.2125177.461.20000110.9
568E58.1Low65Low157 Ų15785.2 Ų85.273%0.73443%0.432SS*.  trans-86.110.2166.7-69.5-175.5-175.700111.7R561 H570R561-E568 IonicContact NH2-OE1 2.91Å; E568-H570 PolarHBondContact O-N 2.89Å
569N41.5Very low62.8Low141 Ų14186.6 Ų86.675%0.75444%0.442SS*.  trans-73.665.1-174.2-76.9-11.7000112.7
570H44.3Very low60.6Low108 Ų10887.7 Ų87.750%0.546%0.458SS..SBendtrans-146.9125.2137.3-85.9-68000106.5E568 N572E568-H570 PolarHBondContact O-N 2.89Å; H570-N572 PolarHBondContact O-N 3.29Å; H570-N572 VanDerWaalsContact O-N 3.1Å
571P33.5Very low58.4Low120 Ų12085 Ų8578%0.77945%0.452SS*.PPolyproline II helixtrans-57.6123.5-179.423.1-30.1000108.3
572N34.9Very low56.3Low114 Ų11484.7 Ų84.761%0.6146%0.457SS*.PPolyproline II helixtrans-46.4130.9155.4-77.5-29.7000106.1H570 S574H570-N572 PolarHBondContact O-N 3.29Å; H570-N572 VanDerWaalsContact O-N 3.1Å; N572-S574 PolarHBondContact O-N 2.82Å
573P34.5Very low54Low49 Ų4992.2 Ų92.232%0.31849%0.485SS..PPolyproline II helixtrans-51.3131.6179.418.8-29.2000108.9E577P573-E577 HydrophobicContact CB-CB 3.91Å; P573-E577 HydrophobicContact CB-CG 4.24Å; P573-E577 WeakPolarHBondContact CB-OE2 3.39Å
574S37.9Very low51.6Low73 Ų7397.2 Ų97.251%0.5151%0.511SS..PPolyproline II helixtrans-50.8152.1-172.847.70000110.3N572 D576 E577N572-S574 PolarHBondContact O-N 2.82Å; S574-D576 PolarHBondContact O-N 3.37Å; S574-E577 PolarHBondContact O-N 2.82Å
575E40.9Very low49.1Very low173 Ų173100.3 Ų100.381%0.80853%0.525SS*.Hα-helixtrans-46.3-26.1-179.6-68.2-177.8152.400113.5E577 N578 D579E575-E577 PolarHBondContact O-N 2.96Å; E575-N578 PolarHBondContact O-N 2.87Å; E575-D579 PolarHBondContact O-N 3.13Å
576D43Very low46.9Very low130 Ų130105.3 Ų105.370%0.69555%0.551SS**Hα-helixtrans-60.7-35.1172.9-65.1-34.4000115.1S574 D579 A580S574-D576 PolarHBondContact O-N 3.37Å; D576-D579 PolarHBondContact O-N 2.8Å; D576-A580 PolarHBondContact O-N 3.46Å; D576-A580 VanDerWaalsContact O-N 3.09Å
577E44.1Very low44.6Very low118 Ų118105.6 Ų105.655%0.55155%0.552SS**Hα-helixtrans-75.2-32.4175.1-81.5-166.7-176.800111.9P573 S574 E575 D579 A580 L581P573-E577 HydrophobicContact CB-CB 3.91Å; P573-E577 HydrophobicContact CB-CG 4.24Å; P573-E577 WeakPolarHBondContact CB-OE2 3.39Å; S574-E577 PolarHBondContact O-N 2.82Å; E575-E577 PolarHBondContact O-N 2.96Å; E577-D579 VanDerWaalsContact C-N 3.34Å; E577-A580 PolarHBondContact O-N 3.13Å; E577-L581 PolarHBondContact O-N 3.3Å; E577-L581 VanDerWaalsContact O-N 3.09Å
578N42.8Very low42.7Very low81 Ų81109.5 Ų109.543%0.43357%0.568SS.*Hα-helixtrans-66.9-35.4171.3-85.8-29.5000111.7E575 L581 Q582E575-N578 PolarHBondContact O-N 2.87Å; N578-L581 PolarHBondContact O-N 2.89Å; N578-Q582 PolarHBondContact O-N 2.95Å
579D46.9Very low41.7Very low66 Ų66110.6 Ų110.635%0.35357%0.571SS.*Hα-helixtrans-69.6-38.3175.3-156.855000111.6E575 D576 E577 L581 Q582 R583E575-D579 PolarHBondContact O-N 3.13Å; D576-D579 PolarHBondContact O-N 2.8Å; E577-D579 VanDerWaalsContact C-N 3.34Å; D579-L581 VanDerWaalsContact C-N 3.32Å; D579-L581 PolarHBondContact O-N 3.08Å; D579-Q582 PolarHBondContact O-N 3.14Å; D579-R583 VanDerWaalsContact O-CG 3.25Å; D579-R583 WeakPolarHBondContact O-CG 3.3Å; D579-R583 PolarHBondContact O-N 2.83Å; D579-R583 IonicContact OD2-CZ 3.99Å; D579-R583 IonicContact OD2-NE 3.97Å; D579-R583 PolarHBondContact OD2-NE 3.32Å; D579-R583 IonicContact OD2-NH2 3.18Å; D579-R583 PolarHBondContact OD2-NH2 2.82Å
580A45.6Very low41.3Very low54 Ų54110.6 Ų110.645%0.44657%0.57SS.*Hα-helixtrans-62.9-37.8174.200000112.4D576 E577 R583 L584D576-A580 PolarHBondContact O-N 3.46Å; D576-A580 VanDerWaalsContact O-N 3.09Å; E577-A580 PolarHBondContact O-N 3.13Å; A580-R583 PolarHBondContact O-N 2.88Å; A580-L584 PolarHBondContact O-N 3.22Å
581L44.5Very low40.6Very low73 Ų73111.9 Ų111.938%0.38258%0.581SS.*Hα-helixtrans-77.7-36.2179.4-155.174.1000112.8E577 N578 D579 R583 L584 Q585E577-L581 PolarHBondContact O-N 3.3Å; E577-L581 VanDerWaalsContact O-N 3.09Å; N578-L581 PolarHBondContact O-N 2.89Å; D579-L581 VanDerWaalsContact C-N 3.32Å; D579-L581 PolarHBondContact O-N 3.08Å; L581-R583 VanDerWaalsContact C-N 3.25Å; L581-R583 PolarHBondContact O-N 2.82Å; L581-L584 HydrophobicContact CD1-CD1 4.31Å; L581-L584 PolarHBondContact O-N 3.38Å; L581-L584 VanDerWaalsContact O-N 3.15Å; L581-Q585 PolarHBondContact O-N 3.1Å; L581-Q585 VanDerWaalsContact O-N 3.1Å
582Q47.1Very low40.4Very low123 Ų123115 Ų11558%0.57559%0.585SS**Hα-helixtrans-61.6-35169.8-85.1-172.313.300112N578 D579 L584 Q585 L586N578-Q582 PolarHBondContact O-N 2.95Å; D579-Q582 PolarHBondContact O-N 3.14Å; Q582-L584 VanDerWaalsContact C-N 3.34Å; Q582-L584 PolarHBondContact O-N 3.44Å; Q582-Q585 PolarHBondContact O-N 3.19Å; Q582-L586 PolarHBondContact O-N 3.15Å; Q582-L586 VanDerWaalsContact O-N 3.17Å
583R46.4Very low40.2Very low161 Ų161115.4 Ų115.461%0.60859%0.594SS**Hα-helixtrans-66.1-34.2174.1-72.6173.2-167.5-138.36112.6D579 A580 L581 L586 I587D579-R583 VanDerWaalsContact O-CG 3.25Å; D579-R583 WeakPolarHBondContact O-CG 3.3Å; D579-R583 PolarHBondContact O-N 2.83Å; D579-R583 IonicContact OD2-CZ 3.99Å; D579-R583 IonicContact OD2-NE 3.97Å; D579-R583 PolarHBondContact OD2-NE 3.32Å; D579-R583 IonicContact OD2-NH2 3.18Å; D579-R583 PolarHBondContact OD2-NH2 2.82Å; A580-R583 PolarHBondContact O-N 2.88Å; L581-R583 VanDerWaalsContact C-N 3.25Å; L581-R583 PolarHBondContact O-N 2.82Å; R583-L586 PolarHBondContact O-N 3.35Å; R583-I587 WeakPolarHBondContact O-CG1 3.22Å; R583-I587 PolarHBondContact O-N 3.4Å
584L43Very low39.8Very low107 Ų107119.9 Ų119.956%0.5662%0.621SS**Hα-helixtrans-68.7-37.6173.2-82.4160.6000112.3A580 L581 Q582 L586 I587A580-L584 PolarHBondContact O-N 3.22Å; L581-L584 HydrophobicContact CD1-CD1 4.31Å; L581-L584 PolarHBondContact O-N 3.38Å; L581-L584 VanDerWaalsContact O-N 3.15Å; Q582-L584 VanDerWaalsContact C-N 3.34Å; Q582-L584 PolarHBondContact O-N 3.44Å; L584-L586 VanDerWaalsContact C-N 3.26Å; L584-L586 PolarHBondContact O-N 3.1Å; L584-I587 HydrophobicContact CD2-CD1 4.49Å; L584-I587 PolarHBondContact O-N 3.36Å; L584-I587 VanDerWaalsContact O-N 3.14Å
585Q40.5Very low39Very low94 Ų94122.6 Ų122.644%0.43964%0.635SS.*Hα-helixtrans-68-23.9175.9-70.1179.9-6.400113.5L581 Q582L581-Q585 PolarHBondContact O-N 3.1Å; L581-Q585 VanDerWaalsContact O-N 3.1Å; Q582-Q585 PolarHBondContact O-N 3.19Å
586L47.3Very low38.3Very low119 Ų119119.6 Ų119.662%0.62363%0.633SS**Hα-helixtrans-78.6-22.9173.2-73.8167.5000113Q582 R583 L584Q582-L586 PolarHBondContact O-N 3.15Å; Q582-L586 VanDerWaalsContact O-N 3.17Å; R583-L586 PolarHBondContact O-N 3.35Å; L584-L586 VanDerWaalsContact C-N 3.26Å; L584-L586 PolarHBondContact O-N 3.1Å
587I40.6Very low37.5Very low101 Ų101118.3 Ų118.352%0.51863%0.634SS.*Hα-helixtrans-73.9-34.1179-68.2166.5000111R583 L584 K589 N590R583-I587 WeakPolarHBondContact O-CG1 3.22Å; R583-I587 PolarHBondContact O-N 3.4Å; L584-I587 HydrophobicContact CD2-CD1 4.49Å; L584-I587 PolarHBondContact O-N 3.36Å; L584-I587 VanDerWaalsContact O-N 3.14Å; I587-K589 PolarHBondContact O-N 3.44Å; I587-N590 PolarHBondContact O-N 2.89Å
588D39.1Very low36.4Very low138 Ų138117.3 Ų117.374%0.73864%0.64SS**THydrogen-bonded Turntrans-72.3-12179.7-86.8-19.1000114.8
589K37.5Very low35.7Very low180 Ų180121 Ų12178%0.78366%0.659SS**THydrogen-bonded Turntrans-87.4-9.4175.6-75.7-172.5177.5176.60114.5I587I587-K589 PolarHBondContact O-N 3.44Å
590N33.4Very low34.6Very low140 Ų140123 Ų12375%0.74968%0.678SS**  trans-123.952.1-177.1-78.3-13.5000113I587I587-N590 PolarHBondContact O-N 2.89Å
591N30.1Very low34.4Very low135 Ų135125.8 Ų125.872%0.72269%0.692SS**  trans-124.785.6165.1-86.3-29.4000111
592Q28.8Very low33.6Very low186 Ų186130.7 Ų130.787%0.86972%0.717SS**  trans-109.4151.1151.2-92-167.1-6.300109.1
593P29.7Very low32.4Very low123 Ų123129.3 Ų129.380%0.79972%0.721SS**  trans-94.6135.2-144.834.3-31.8000113
594T26.1Very low31.2Very low142 Ų142126.1 Ų126.187%0.87172%0.723SS**  trans-131.2140.3159.554.70000111.4
595T22.6Very low30.5Very low131 Ų131127.3 Ų127.380%0.80474%0.735SS**  trans-74.3155.4-169.248.60000115.4
596S24.7Very low29.7Very low110 Ų110127.4 Ų127.477%0.76975%0.746SS**  trans104.3126.7144.8730000121.3
597S25.8Very low28.5Very low102 Ų102126.3 Ų126.371%0.71375%0.748SS**  trans72.1105.2146.359.10000122.2
598S23Very low27.8Very low97 Ų97128.4 Ų128.468%0.67876%0.761SS**  33.7114.7121.761.90000120.6
599N27Very low26.9Very low159 Ų159129.6 Ų129.685%0.8576%0.762SS**  178.5143.4107.4-91.7-19.1000112
600S24.7Very low26.3Very low107 Ų107131.2 Ų131.275%0.74876%0.764SS**  trans-72.1-164.5173.8450000113.8
601P39.8Very low25.7Very low113 Ų113134.6 Ų134.673%0.73477%0.768SS**  -125.3159.6-67.336.4-21.6000111.9
602I27.5Very low25.2Very low176 Ų176134.1 Ų134.190%0.90377%0.774SS**  trans-134.7129.9157.6-64.1-178.5000110.3
603S22.6Very low25Very low94 Ų94135.1 Ų135.166%0.65778%0.776SS**  trans-91.2164.2-176.152.90000113.4
604S22.4Very low24.6Very low94 Ų94134.8 Ų134.866%0.65778%0.776SS**  trans67.3118.7136.563.90000120
605T26.6Very low24.4Very low133 Ų133131.3 Ų131.382%0.81677%0.769SS**  152.7147.6116.346.20000108.6
606S23.8Very low24.5Very low95 Ų95133.7 Ų133.766%0.66477%0.771SS**  cis-177.8139.8-11.648.10000104.7
607S22.3Very low24.3Very low96 Ų96135.7 Ų135.767%0.67177%0.771SS**  trans29.1120.7145.153.40000119.9
608D26.7Very low23.9Very low146 Ų146140 Ų14078%0.78178%0.778SS**  trans-139.5113.3134-88.7-35.7000110.5Y610D608-Y610 HydrophobicContact CB-CD2 4.47Å; D608-Y610 HydrophobicContact CB-CE2 4.27Å
609Q20.1Very low23.8Very low163 Ų163142.9 Ų142.976%0.76279%0.785SS**  trans-85.1125.3168.4-70.8172.5-24.100107.8
610Y24.4Very low23.4Very low213 Ų213143.3 Ų143.384%0.83579%0.787SS**  trans-119.3118.4162-82.8-83.5000110.8D608D608-Y610 HydrophobicContact CB-CD2 4.47Å; D608-Y610 HydrophobicContact CB-CE2 4.27Å
611Y21.9Very low23.2Very low211 Ų211142.7 Ų142.783%0.82778%0.782SS**  trans-64.6138-179.2-93.7-102.6000112.7K613Y611-K613 PolarHBondContact O-N 3.05Å
612C18.5Very low22.3Very low126 Ų126144.1 Ų144.185%0.85178%0.784SS**  trans-61.5125.3159.6-740000110.5
613K25Very low22.1Very low207 Ų207142 Ų14290%0.977%0.774SS**  trans-106.8108.3162.1-99.6-176.8176.5179.30109.5Y611Y611-K613 PolarHBondContact O-N 3.05Å
614S22Very low22.1Very low115 Ų115143.1 Ų143.180%0.80477%0.773SS**  trans-68.7142.9161.442.20000111.3
615G21Very low22.1Very low70 Ų70144.5 Ų144.572%0.72277%0.773SS**  trans69.8121.2141.300000119.8
616Q23.8Very low21.9Very low181 Ų181144.6 Ų144.685%0.84677%0.768SS**  164.6111.4120.5-88.2175.7-3.700109.5
617I20.5Very low21.8Very low151 Ų151145 Ų14577%0.77477%0.771SS**  75.5119.597.1-64.1174.3000113.7
618F18.6Very low22Very low194 Ų194146.6 Ų146.685%0.85178%0.777SS**  trans-53.7127.6174.9-82.3-101.9000113.1
619N20.4Very low21.6Very low156 Ų156147.6 Ų147.683%0.83478%0.782SS**  trans-98.3108.5160-87.1-26.1000109.4
620L18Very low21.8Very low169 Ų169146.9 Ų146.989%0.88578%0.783SS**  trans-85.7117.5153.2-82.4154.9000107
621S22Very low21.7Very low93 Ų93143.7 Ų143.765%0.6578%0.776SS**  trans-158.6107.715860.50000110
622D21.1Very low21.8Very low144 Ų144143.1 Ų143.177%0.7778%0.783SS**  57.8128.5124.9-63.2-18.1000121.5
623N22.4Very low22Very low130 Ų130144.8 Ų144.870%0.69578%0.776SS**  117.7112.5125.6-83.2-28000117.9
624N22.1Very low21.8Very low118 Ų118139.7 Ų139.763%0.63177%0.766SS**  86.6114.1121.4-75.1-23.2000120.4
625N22.8Very low21.9Very low123 Ų123145.7 Ų145.766%0.65877%0.773SS**  86.2112.4119.8-71.4-21.4000119.8
626N21.9Very low21.9Very low135 Ų135147 Ų14772%0.72277%0.771SS**  83.9127.6120.1-74.4-20.2000120.8
627S22.4Very low22Very low103 Ų103147.5 Ų147.572%0.7278%0.776SS**  trans75.2123.9144.677.70000115
628T25.9Very low22Very low130 Ų130147 Ų14780%0.79878%0.775SS**  -164.313160.221.90000110.4
629L18.5Very low22.3Very low168 Ų168146.6 Ų146.688%0.8878%0.775SS**  trans-78124158.2-170.580.2000106.9
630N24.5Very low22.5Very low147 Ų147144.3 Ų144.379%0.78677%0.771SS**  trans-160.4110.9155.2-99.4-21.4000111.9
631E22.1Very low22.6Very low146 Ų146141.8 Ų141.868%0.68277%0.768SS**  trans9.1120144.1-57.7-173.8161.600119
632M24.6Very low22.9Very low200 Ų200143.2 Ų143.299%0.98578%0.775SS**  trans-125.2115.2139.8-95-172.7175.500109.9
633K23.2Very low23.2Very low161 Ų161145.8 Ų145.870%0.778%0.779SS**  trans-72.5135.5-179.9-76.1172.2176.81650111.7
634S20.6Very low23.5Very low100 Ų100149.6 Ų149.670%0.69979%0.79SS**  trans27.6114.113864.50000119.1
635Y22.9Very low23.7Very low240 Ų240150 Ų15094%0.94180%0.796SS**  trans-119.9114.6135.9-92.7-85.5000109
636S21.2Very low23.8Very low97 Ų97153 Ų15368%0.67881%0.807SS**  trans-85.5122.8171-177.40000108.4
637M25.3Very low24.1Very low193 Ų193153.7 Ų153.795%0.95181%0.809SS**  trans-123.8107.6153.2-86-159.7-165.100108.3
638N21.3Very low24.3Very low141 Ų141153.4 Ų153.475%0.75481%0.805SS**  trans-57.8128.9160.3-74.7-39.6000109.7
639Q25.6Very low24.4Very low185 Ų185155.6 Ų155.686%0.86481%0.81SS**  trans-167.5121.8131.3-106.1168.755.700112.3
640S23.6Very low24.8Very low107 Ų107157.7 Ų157.775%0.74881%0.808SS**  trans53.8113.7149.956.10000121
641S20.9Very low24.8Very low117 Ų117161.8 Ų161.882%0.81881%0.813SS**PPolyproline II helixtrans-59.4140.9160.6-23.50000113.6
642P27.7Very low25.1Very low122 Ų122164 Ų16479%0.79282%0.823SS**PPolyproline II helixtrans-93.2132.8141.810.47.9000109K644P642-K644 PolarHBondContact O-N 3.27Å
643K27.6Very low25.1Very low199 Ų199162.4 Ų162.487%0.86582%0.815SS**PPolyproline II helixtrans-54.3123.4-178.6-68.8171.6175.7175.90111T645K643-T645 PolarHBondContact O-N 3.09Å
644K28.2Very low25.2Very low209 Ų209160.3 Ų160.391%0.90982%0.821SS**  trans-59.1101.7164.4-75.3179.8175.4-179.90108.7P642 Q646P642-K644 PolarHBondContact O-N 3.27Å; K644-Q646 PolarHBondContact O-N 3.31Å
645T27.2Very low25.7Very low126 Ų126163.2 Ų163.277%0.77383%0.827SS**  trans-69.4112.1161.532.70000107.5K643 I647K643-T645 PolarHBondContact O-N 3.09Å; T645-I647 PolarHBondContact O-N 2.94Å
646Q25.4Very low25.8Very low187 Ų187154.4 Ų154.487%0.87481%0.81SS**  trans-57.9108.8167.9-83.3173-28.600108.4K644 P648K644-Q646 PolarHBondContact O-N 3.31Å; Q646-P648 WeakPolarHBondContact O-CD 3.37Å
647I27.4Very low26.1Very low149 Ų149156.1 Ų156.176%0.76482%0.816SS**  trans-72.4118.4163.7-60.6173.4000105.6T645 L649T645-I647 PolarHBondContact O-N 2.94Å; I647-L649 PolarHBondContact O-N 3.15Å
648P27.4Very low26.1Very low98 Ų98153.2 Ų153.264%0.63681%0.809SS**  trans-61.7124.8179.2-17.329.5000109.3Q646 Y650Q646-P648 WeakPolarHBondContact O-CD 3.37Å; P648-Y650 PolarHBondContact O-N 3.5Å
649L26.3Very low26.3Very low175 Ų175155.1 Ų155.192%0.91681%0.811SS**  trans-56.6104.6163.5-92.5111.2000107.5I647 R651I647-L649 PolarHBondContact O-N 3.15Å; L649-R651 VanDerWaalsContact C-N 3.28Å; L649-R651 PolarHBondContact O-N 2.8Å
650Y27.3Very low26.4Very low212 Ų212153.8 Ų153.883%0.83181%0.809SS**  trans-62.597.6164.8-88-90000107.2P648 Q652P648-Y650 PolarHBondContact O-N 3.5Å; Y650-Q652 PolarHBondContact O-N 3.44Å
651R26.1Very low26.5Very low234 Ų234153.5 Ų153.588%0.88380%0.803SS**  trans-50.5112.3161.4-137.2178.5-165.2174.73.5105.4L649 M653L649-R651 VanDerWaalsContact C-N 3.28Å; L649-R651 PolarHBondContact O-N 2.8Å; R651-M653 VanDerWaalsContact C-N 3.28Å; R651-M653 PolarHBondContact O-N 3.18Å
652Q27.8Very low26.8Very low191 Ų191154.7 Ų154.789%0.89380%0.796SS**  trans-51.3100.9169.2-83.4175.9-27.300106.7Y650 S654Y650-Q652 PolarHBondContact O-N 3.44Å; Q652-S654 PolarHBondContact O-N 2.94Å; Q652-S654 VanDerWaalsContact O-N 3.12Å
653M24.4Very low26.8Very low168 Ų168155.5 Ų155.583%0.82879%0.793SS**  trans-63.7115.7164.3-82-169.7-87.800104.6R651 L655R651-M653 VanDerWaalsContact C-N 3.28Å; R651-M653 PolarHBondContact O-N 3.18Å; M653-L655 PolarHBondContact O-N 3.4Å
654S26.1Very low26.7Very low117 Ų117155.1 Ų155.182%0.81879%0.788SS**  trans-48.8941651750000107.3Q652 G656Q652-S654 PolarHBondContact O-N 2.94Å; Q652-S654 VanDerWaalsContact O-N 3.12Å; S654-G656 PolarHBondContact O-N 3.49Å; S654-G656 VanDerWaalsContact O-N 3.09Å
655L29.4Very low26.8Very low160 Ų160148.4 Ų148.484%0.83877%0.765SS**  trans-64.6109.2161.8-80.7159.6000103.6M653 T657M653-L655 PolarHBondContact O-N 3.4Å; L655-T657 PolarHBondContact O-N 3.35Å
656G26.7Very low26.8Very low55 Ų55148.9 Ų148.957%0.56777%0.768SS**  trans-44131.417400000108.3S654 T658S654-G656 PolarHBondContact O-N 3.49Å; S654-G656 VanDerWaalsContact O-N 3.09Å; G656-T658 PolarHBondContact O-N 3.19Å
657T26.6Very low27.4Very low134 Ų134144.2 Ų144.282%0.82275%0.745SS**  trans-59.583.9175.840.70000108.8L655 K659L655-T657 PolarHBondContact O-N 3.35Å; T657-K659 PolarHBondContact O-N 2.66Å
658T26Very low27.5Very low131 Ų131142.4 Ų142.480%0.80474%0.741SS**  trans-58.699.9146.6-6.10000103.2G656 L660G656-T658 PolarHBondContact O-N 3.19Å; T658-L660 PolarHBondContact O-N 3.15Å
659K25.7Very low27.4Very low181 Ų181149.5 Ų149.579%0.78776%0.755SS**  trans-50.995.6170.5-76.4179.7173.9-177.40106.1T657 T661T657-K659 PolarHBondContact O-N 2.66Å; K659-T661 HydrophobicContact CB-CG2 4.38Å; K659-T661 PolarHBondContact O-N 2.98Å
660L26.4Very low27.6Very low158 Ų158148.9 Ų148.983%0.82775%0.746SS**  trans-61.491151.9-74.7167.6000102.7T658 E662T658-L660 PolarHBondContact O-N 3.15Å; L660-E662 PolarHBondContact O-N 3.33Å
661T25.6Very low27.5Very low101 Ų101150.5 Ų150.562%0.6275%0.75SS**  trans-63.484.4161.249.70000104.5K659 N663K659-T661 HydrophobicContact CB-CG2 4.38Å; K659-T661 PolarHBondContact O-N 2.98Å; T661-N663 PolarHBondContact O-N 3.02Å
662E28.6Very low27.5Very low141 Ų141151 Ų15166%0.65975%0.752SS**  trans-55101.4153.2-72.9-171.2166.200104.2L660 Y664L660-E662 PolarHBondContact O-N 3.33Å; E662-Y664 HydrophobicContact CB-CE2 4.45Å; E662-Y664 VanDerWaalsContact O-CD2 3.29Å; E662-Y664 WeakPolarHBondContact O-CD2 3.33Å; E662-Y664 PolarHBondContact O-N 2.63Å
663N26.7Very low27.6Very low140 Ų140149.2 Ų149.275%0.74975%0.748SS**  trans-64.586.8173.8-79.2-35.1000106.5T661T661-N663 PolarHBondContact O-N 3.02Å
664Y26.3Very low27.8Very low191 Ų191147 Ų14775%0.74975%0.746SS**PPolyproline II helixtrans-51.4125.9158.4-71.5-85.7000106.4E662 T666E662-Y664 HydrophobicContact CB-CE2 4.45Å; E662-Y664 VanDerWaalsContact O-CD2 3.29Å; E662-Y664 WeakPolarHBondContact O-CD2 3.33Å; E662-Y664 PolarHBondContact O-N 2.63Å; Y664-T666 PolarHBondContact O-N 2.76Å; Y664-T666 VanDerWaalsContact O-N 3.1Å
665P29.2Very low28Very low67 Ų67147.5 Ų147.544%0.43575%0.749SS.*PPolyproline II helixtrans-64.3120.2-177.122-25.1000108.3M1 K667M1-P665 HydrophobicContact CE-CB 3.91Å; M1-P665 HydrophobicContact CE-CG 3.36Å; M1-P665 HydrophobicContact CG-CG 4.24Å; M1-P665 HydrophobicContact SD-CG 3.56Å; M1-P665 VanDerWaalsContact SD-CG 3.56Å; P665-K667 PolarHBondContact O-N 2.78Å; P665-K667 VanDerWaalsContact O-N 3.14Å
666T28.1Very low27.8Very low136 Ų136142.8 Ų142.883%0.83474%0.739SS**PPolyproline II helixtrans-53.8120.8167.137.30000109Y664 T668Y664-T666 PolarHBondContact O-N 2.76Å; Y664-T666 VanDerWaalsContact O-N 3.1Å; T666-T668 PolarHBondContact O-N 2.85Å
667K36.5Very low28Very low90 Ų90147.5 Ų147.539%0.39175%0.751SS.*  trans-35.1122.7173-74.6169.2176.2157.60109.7D474 E519 P665 R669D474-K667 IonicContact OD2-NZ 3.72Å; D474-K667 PolarHBondContact OD2-NZ 3.34Å; E519-K667 WeakPolarHBondContact OE1-CE 3.48Å; P665-K667 PolarHBondContact O-N 2.78Å; P665-K667 VanDerWaalsContact O-N 3.14Å; K667-R669 PolarHBondContact O-N 3.25Å
668T30.1Very low28.1Very low110 Ų110148.9 Ų148.968%0.67575%0.753SS**  trans-54.9110177.5-46.10000108.9T666 F670T666-T668 PolarHBondContact O-N 2.85Å; T668-F670 WeakPolarHBondContact O-CD2 3.49Å; T668-F670 PolarHBondContact O-N 2.96Å
669R26Very low28.2Very low247 Ų247147.5 Ų147.593%0.93275%0.745SS**  trans-64.995.8175-102.1-175.5177.1177.20.6109.1K667 R671K667-R669 PolarHBondContact O-N 3.25Å; R669-R671 PolarHBondContact O-N 3.04Å
670F29.6Very low28.3Very low163 Ų163146.7 Ų146.772%0.71575%0.749SS**PPolyproline II helixtrans-67.1124.8162.6-72.8-82.8000108.5T668 R672T668-F670 WeakPolarHBondContact O-CD2 3.49Å; T668-F670 PolarHBondContact O-N 2.96Å; F670-R672 PolarHBondContact O-N 3.02Å
671R26.6Very low28.3Very low245 Ų245145.6 Ų145.693%0.92574%0.743SS**PPolyproline II helixtrans-54.7125.4174.7-94.9-179.2173.2167.2-2109.1R669 L673R669-R671 PolarHBondContact O-N 3.04Å; R671-L673 PolarHBondContact O-N 3.32Å
672R24.4Very low28.2Very low246 Ų246147.3 Ų147.393%0.92875%0.748SS**PPolyproline II helixtrans-54.2124.5167.2-82.2-176.1176.3-175.8-1.4108.7F670F670-R672 PolarHBondContact O-N 3.02Å
673L30.1Very low28.1Very low152 Ų152146.3 Ų146.380%0.79675%0.752SS**PPolyproline II helixtrans-67.3140.6161-74.5166.5000108.3R671 S675R671-L673 PolarHBondContact O-N 3.32Å; L673-S675 PolarHBondContact O-N 3.41Å
674P28.8Very low28.1Very low122 Ų122146.7 Ų146.779%0.79275%0.753SS**PPolyproline II helixtrans-63.5126.8-179.4-16.129000110.7G676P674-G676 PolarHBondContact O-N 3.37Å
675S29.8Very low28.2Very low127 Ų127149.5 Ų149.589%0.88876%0.763SS**  trans-68.4105.2162.152.30000107.9L673L673-S675 PolarHBondContact O-N 3.41Å
676G26.8Very low28Very low61 Ų61153.8 Ų153.863%0.62978%0.781SS**  trans-164.2100.9178.700000112.2P674P674-G676 PolarHBondContact O-N 3.37Å
677L30.1Very low28Very low155 Ų155153.7 Ų153.781%0.81278%0.78SS**  trans-171.173.2136.3-98.2154.4000107.5T679L677-T679 VanDerWaalsContact C-N 3.28Å; L677-T679 HydrophobicContact CD2-CG2 4.2Å; L677-T679 PolarHBondContact O-N 2.94Å
678D29.4Very low27.4Very low163 Ų163154.2 Ų154.287%0.87280%0.795SS**  trans-68.692.9159.1-78.7-33.5000107.6N680D678-N680 VanDerWaalsContact C-N 3.31Å; D678-N680 PolarHBondContact O-N 3.08Å; D678-N680 VanDerWaalsContact O-N 3.08Å
679T28.1Very low27.5Very low102 Ų102157 Ų15763%0.62681%0.805SS**  trans-7980.2171.6510000109.6L677 I681L677-T679 VanDerWaalsContact C-N 3.28Å; L677-T679 HydrophobicContact CD2-CG2 4.2Å; L677-T679 PolarHBondContact O-N 2.94Å; T679-I681 PolarHBondContact O-N 3.19Å
680N26.5Very low27.4Very low164 Ų164156.2 Ų156.288%0.87780%0.803SS**  trans-85.692.9161.1-92.3-31.5000108.9D678D678-N680 VanDerWaalsContact C-N 3.31Å; D678-N680 PolarHBondContact O-N 3.08Å; D678-N680 VanDerWaalsContact O-N 3.08Å
681I27.1Very low27.3Very low135 Ų135152.8 Ų152.869%0.69280%0.799SS**  trans-92122.2172.4-71176.5000109.2T679T679-I681 PolarHBondContact O-N 3.19Å
682N23.1Very low27.4Very low136 Ų136147.8 Ų147.873%0.72779%0.791SS**  trans67.7118.5154.3-68.4-20.2000119.7
683T26.5Very low27.5Very low121 Ų121142.3 Ų142.374%0.74278%0.78SS**  -173.4137.486.429.20000112.5
684N26.8Very low27.5Very low147 Ų147141 Ų14179%0.78677%0.774SS**  trans66.7101.7151.8-60.7-22000120.1
685R28.7Very low27.5Very low251 Ų251141.6 Ų141.695%0.94777%0.77SS**  -171125.8106.7-104.8172.8-175.3166.42.2112.5
686I24.4Very low27.4Very low157 Ų157143 Ų14381%0.80577%0.766SS**  trans-66.7131.7165-66.8162.6000108.7
687T28.2Very low27.7Very low133 Ų133143.9 Ų143.982%0.81677%0.774SS**  -172.4133.1124.324.30000111
688S24.9Very low27.7Very low102 Ų102143.1 Ų143.171%0.71377%0.771SS**  trans-59.1139.1176.249.10000114
689N31Very low28Very low167 Ų167143.3 Ų143.389%0.89377%0.772SS**  trans-151.8103.3138.8-101.1-18.8000111.9
690R25.4Very low28.1Very low232 Ų232144.6 Ų144.688%0.87578%0.78SS**  trans5.3124.7142.4-102177.7178.5174.9-1.4120.1
691S25.9Very low28.5Very low91 Ų91140.2 Ų140.264%0.63677%0.774SS**  56.6115.5123.9620000121.1
692N29.6Very low28.8Very low140 Ų140141.1 Ų141.175%0.74978%0.78SS**  173.5111.8119.3-94.7-14.8000108.4
693N27.1Very low29.1Very low131 Ų131139.8 Ų139.870%0.70178%0.782SS**  91.1119.687.6-100.81.4000113.5
694N28.5Very low29.7Very low125 Ų125139.8 Ų139.867%0.66879%0.787SS**  trans100.3127.6133.2-67.5-9.5000121.7
695N30Very low30.4Very low133 Ų133146.7 Ų146.771%0.71181%0.81SS**  trans86.2102148.9-61.8-12.7000116.5
696I28.1Very low30.4Very low158 Ų158141.5 Ų141.581%0.8180%0.803SS**  60.4108.367.5-56174.9000111.6
697G32.8Very low30.8Very low78 Ų78140.6 Ų140.680%0.80480%0.803SS**  trans-167.391.1169.100000109.5
698N29.3Very low30.9Very low140 Ų140141.1 Ų141.175%0.74980%0.802SS**  trans-54.4143.9176.4-71.3-33.3000112.9
699N35.6Very low31.3Very low166 Ų166143.4 Ų143.489%0.88881%0.807SS**  trans-151.8106.4132.2-117.5-5.7000111.2
700T31.4Very low31.3Very low129 Ų129141.9 Ų141.979%0.79180%0.802SS**  trans-80.9144168.843.20000110.5
701G34.7Very low31.7Very low73 Ų73135.9 Ų135.975%0.75380%0.797SS**  trans-17879.3169.500000114.6
702N34Very low32.1Very low153 Ų153139.1 Ų139.182%0.81881%0.808SS**  trans36.2111.7142-69.6-2.9000119.4
703S29.3Very low32.3Very low109 Ų109139 Ų13976%0.76281%0.813SS**  71.4108.778.583.30000115.2
704S37.7Very low32.7Very low121 Ų121139.7 Ų139.785%0.84682%0.822SS**  trans-139.3129142.553.40000106.7
705K41.3Very low33.1Very low291 Ų291141 Ų141100%1.26584%0.836SS**  trans-490-167.7-78.1176.1172.4176.40115.7

Retrieved 705 of 705 residues in 251.6 ms (Link to these results)

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