A0A3Q0KTD6_SCHMA Loading...

2-(3-amino-3-carboxypropyl)histidine synthase subunit 2

AlphaFold DB , UniProt , Accession A0A3Q0KTD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 538 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
1M37.5Very low67.7Low201 Ų20190.8 Ų90.899%0.9947%0.471SS*.  080.90-91-168-170.500105.9E3 E257M1-E3 PolarHBondContact O-N 2.68Å; M1-E257 WeakPolarHBondContact CA-OE1 3.29Å; M1-E257 PolarHBondContact N-OE1 3.19Å
2V46.4Very low69.6Low41 Ų4183.4 Ų83.425%0.24843%0.433CS..  trans-48.7129.4155163.10000107R4 E257 I286V2-R4 VanDerWaalsContact C-N 3.31Å; V2-R4 PolarHBondContact O-N 3.45Å; V2-E257 WeakPolarHBondContact CB-OE2 3.4Å; V2-E257 WeakPolarHBondContact CG2-OE2 3.08Å; V2-E257 PolarHBondContact N-OE1 3.36Å; V2-I286 HydrophobicContact CG2-CD1 4.39Å
3E54Low71.2Confident36 Ų3679.9 Ų79.917%0.16842%0.42CS..  trans-4797.7176.5-67.7-177.410400108.6M1 W5 S112 Q115M1-E3 PolarHBondContact O-N 2.68Å; E3-W5 HydrophobicContact CB-CD2 4.21Å; E3-W5 HydrophobicContact CB-CE3 4.27Å; E3-W5 HydrophobicContact CB-CH2 4.13Å; E3-W5 HydrophobicContact CB-CZ2 4.06Å; E3-W5 HydrophobicContact CB-CZ3 4.24Å; E3-W5 VanDerWaalsContact O-CE3 3.26Å; E3-W5 PolarHBondContact O-N 2.81Å; E3-W5 WeakPolarHBondContact OE2-CH2 3.5Å; E3-W5 WeakPolarHBondContact OE2-CZ2 3.46Å; E3-S112 WeakPolarHBondContact OE1-CB 3.34Å; E3-Q115 VanDerWaalsContact CD-OE1 3.29Å; E3-Q115 PolarHBondContact OE1-NE2 2.83Å; E3-Q115 PolarHBondContact OE1-OE1 2.9Å
4R58.7Low72.6Confident233 Ų23381.3 Ų81.388%0.87943%0.426SS*.  trans-75.883.7168.7-76.8-172.4178.9175.70.2104.9V2 N6V2-R4 VanDerWaalsContact C-N 3.31Å; V2-R4 PolarHBondContact O-N 3.45Å; R4-N6 PolarHBondContact O-N 2.89Å; R4-N6 VanDerWaalsContact O-N 3.07Å
5W69.5Low73.9Confident32 Ų3275.9 Ų75.912%0.12140%0.398CS..  trans-51.8121.2163.7-69.9-77.8000106.7E3 S9 V15 F16 L41 I44E3-W5 HydrophobicContact CB-CD2 4.21Å; E3-W5 HydrophobicContact CB-CE3 4.27Å; E3-W5 HydrophobicContact CB-CH2 4.13Å; E3-W5 HydrophobicContact CB-CZ2 4.06Å; E3-W5 HydrophobicContact CB-CZ3 4.24Å; E3-W5 VanDerWaalsContact O-CE3 3.26Å; E3-W5 PolarHBondContact O-N 2.81Å; E3-W5 WeakPolarHBondContact OE2-CH2 3.5Å; E3-W5 WeakPolarHBondContact OE2-CZ2 3.46Å; W5-S9 WeakPolarHBondContact CA-OG 3.47Å; W5-V15 HydrophobicContact CH2-CG1 4.31Å; W5-V15 HydrophobicContact CZ2-CG1 3.65Å; W5-F16 HydrophobicContact CD2-CE2 4.05Å; W5-F16 HydrophobicContact CD2-CZ 4.07Å; W5-F16 HydrophobicContact CE3-CE2 4.32Å; W5-F16 AromaticContact CE3-CZ 3.87Å; W5-F16 HydrophobicContact CE3-CZ 3.87Å; W5-F16 HydrophobicContact CG-CE2 4.21Å; W5-F16 HydrophobicContact CZ3-CZ 4.15Å; W5-L41 HydrophobicContact CE3-CD2 4.15Å; W5-I44 HydrophobicContact CB-CD1 4.19Å; W5-I44 HydrophobicContact CB-CG2 3.99Å; W5-I44 WeakPolarHBondContact O-CG2 3.36Å
6N74.7Confident75.2Confident91 Ų9171.3 Ų71.349%0.48737%0.373SS..  trans-101.9171.317164.937.8000107.6R4 N8 S9R4-N6 PolarHBondContact O-N 2.89Å; R4-N6 VanDerWaalsContact O-N 3.07Å; N6-N8 PolarHBondContact O-N 3.43Å; N6-N8 WeakPolarHBondContact OD1-CA 3.29Å; N6-N8 WeakPolarHBondContact OD1-CB 3.45Å; N6-N8 PolarHBondContact OD1-N 2.97Å; N6-S9 PolarHBondContact N-OG 2.64Å; N6-S9 PolarHBondContact O-N 3.39Å; N6-S9 PolarHBondContact O-OG 3.02Å; N6-S9 PolarHBondContact OD1-N 2.76Å
7A75.2Confident76.3Confident51 Ų5169.4 Ų69.442%0.42136%0.362SS..THydrogen-bonded Turntrans-58.4-13.4-178.700000114.4V47A7-V47 HydrophobicContact CB-CG2 3.71Å
8N78Confident77.4Confident143 Ų14365.7 Ų65.777%0.76534%0.343SS*.THydrogen-bonded Turntrans-104.63.1-177.6-57.6-25.4000113.3N6N6-N8 PolarHBondContact O-N 3.43Å; N6-N8 WeakPolarHBondContact OD1-CA 3.29Å; N6-N8 WeakPolarHBondContact OD1-CB 3.45Å; N6-N8 PolarHBondContact OD1-N 2.97Å
9S82.2Confident78.3Confident24 Ų2466.9 Ų66.917%0.16835%0.35CS..  trans-61.7123.6177.7-700000110.3W5 N6 D11 I12W5-S9 WeakPolarHBondContact CA-OG 3.47Å; N6-S9 PolarHBondContact N-OG 2.64Å; N6-S9 PolarHBondContact O-N 3.39Å; N6-S9 PolarHBondContact O-OG 3.02Å; N6-S9 PolarHBondContact OD1-N 2.76Å; S9-D11 VanDerWaalsContact C-N 3.26Å; S9-D11 PolarHBondContact O-N 3.31Å; S9-I12 WeakPolarHBondContact O-CD1 3.24Å; S9-I12 VanDerWaalsContact O-CG1 3.29Å; S9-I12 WeakPolarHBondContact O-CG1 3.43Å
10P80.9Confident79.2Confident129 Ų12967.5 Ų67.584%0.83835%0.351SS*.THydrogen-bonded Turntrans-72.9-19-169.528.8-35.7000113.5
11D87.8Confident80.1Confident18 Ų1864.2 Ų64.210%0.09633%0.334CS..THydrogen-bonded Turntrans-99.83.3-172.359.9-16.7000114S9 S13 I14 V15 S112S9-D11 VanDerWaalsContact C-N 3.26Å; S9-D11 PolarHBondContact O-N 3.31Å; D11-S13 PolarHBondContact O-N 2.74Å; D11-S13 VanDerWaalsContact O-N 3.12Å; D11-I14 PolarHBondContact O-N 3.48Å; D11-V15 HydrophobicContact CB-CG2 4.06Å; D11-V15 WeakPolarHBondContact O-CB 3.18Å; D11-V15 WeakPolarHBondContact O-CG2 3.43Å; D11-V15 PolarHBondContact O-N 3.35Å; D11-S112 WeakPolarHBondContact OD2-CB 3.26Å; D11-S112 PolarHBondContact OD2-OG 3.33Å
12I89.9Confident82.9Confident2 Ų254.7 Ų54.71%0.0129%0.287CS..Hα-helixtrans-48-45.6-179.5-70.6169.1000111.6S9 I14 V15 F16 I18 I44 V47 I48S9-I12 WeakPolarHBondContact O-CD1 3.24Å; S9-I12 VanDerWaalsContact O-CG1 3.29Å; S9-I12 WeakPolarHBondContact O-CG1 3.43Å; I12-I14 VanDerWaalsContact C-N 3.26Å; I12-I14 PolarHBondContact O-N 2.65Å; I12-V15 PolarHBondContact O-N 3.34Å; I12-F16 HydrophobicContact CG2-CD2 4.12Å; I12-F16 WeakPolarHBondContact O-CB 3.09Å; I12-F16 PolarHBondContact O-N 3.39Å; I12-I18 HydrophobicContact CG2-CD1 4.17Å; I12-I44 HydrophobicContact CD1-CG2 4.42Å; I12-V47 HydrophobicContact CD1-CG1 4.06Å; I12-V47 HydrophobicContact CG2-CG1 4.5Å; I12-I48 HydrophobicContact CG2-CD1 4.39Å; I12-I48 HydrophobicContact CG2-CG1 3.73Å
13S91.1Very high85.3Confident38 Ų3857.5 Ų57.527%0.26630%0.3SS..Hα-helixtrans-61.8-33-177.6-530000113.8D11 E17 I18 Q51D11-S13 PolarHBondContact O-N 2.74Å; D11-S13 VanDerWaalsContact O-N 3.12Å; S13-E17 PolarHBondContact O-N 3.42Å; S13-I18 PolarHBondContact O-N 2.97Å; S13-Q51 PolarHBondContact OG-NE2 2.95Å; S13-Q51 PolarHBondContact OG-OE1 3.48Å
14I91.3Very high87.4Confident99 Ų9958.1 Ų58.151%0.50830%0.301SS..Hα-helixtrans-87.4-46.7-178.6-61.3170.8000109.9D11 I12 F16 E17 P113D11-I14 PolarHBondContact O-N 3.48Å; I12-I14 VanDerWaalsContact C-N 3.26Å; I12-I14 PolarHBondContact O-N 2.65Å; I14-F16 VanDerWaalsContact C-N 3.31Å; I14-F16 PolarHBondContact O-N 3.29Å; I14-E17 PolarHBondContact O-N 3.17Å; I14-P113 HydrophobicContact CG2-CG 4.26Å
15V91.5Very high89.2Confident0 Ų047 Ų470%026%0.26CS..Hα-helixtrans-59.4-43.5-179.21660000111W5 D11 I12 G109 K110W5-V15 HydrophobicContact CH2-CG1 4.31Å; W5-V15 HydrophobicContact CZ2-CG1 3.65Å; D11-V15 HydrophobicContact CB-CG2 4.06Å; D11-V15 WeakPolarHBondContact O-CB 3.18Å; D11-V15 WeakPolarHBondContact O-CG2 3.43Å; D11-V15 PolarHBondContact O-N 3.35Å; I12-V15 PolarHBondContact O-N 3.34Å; V15-G109 CarbonylContact O-C 3.57Å; V15-G109 VanDerWaalsContact O-CA 3.3Å; V15-G109 WeakPolarHBondContact O-CA 3.25Å; V15-K110 WeakPolarHBondContact CG1-O 3.23Å; V15-K110 PolarHBondContact O-N 2.92Å
16F94Very high90.5Very high2 Ų250 Ų501%0.00927%0.273CS..THydrogen-bonded Turntrans-104.423.1-178.3-62.4-75.2000113.3W5 I12 I14 I18 L41 I44 I48 Y90 V107W5-F16 HydrophobicContact CD2-CE2 4.05Å; W5-F16 HydrophobicContact CD2-CZ 4.07Å; W5-F16 HydrophobicContact CE3-CE2 4.32Å; W5-F16 AromaticContact CE3-CZ 3.87Å; W5-F16 HydrophobicContact CE3-CZ 3.87Å; W5-F16 HydrophobicContact CG-CE2 4.21Å; W5-F16 HydrophobicContact CZ3-CZ 4.15Å; I12-F16 HydrophobicContact CG2-CD2 4.12Å; I12-F16 WeakPolarHBondContact O-CB 3.09Å; I12-F16 PolarHBondContact O-N 3.39Å; I14-F16 VanDerWaalsContact C-N 3.31Å; I14-F16 PolarHBondContact O-N 3.29Å; F16-I18 VanDerWaalsContact C-N 3.26Å; F16-I18 PolarHBondContact O-N 3.41Å; F16-L41 HydrophobicContact CE1-CD1 3.71Å; F16-L41 HydrophobicContact CE1-CD2 4.22Å; F16-L41 HydrophobicContact CZ-CD1 4.2Å; F16-L41 HydrophobicContact CZ-CD2 3.85Å; F16-I44 HydrophobicContact CD2-CD1 3.91Å; F16-I44 HydrophobicContact CE1-CD1 4.3Å; F16-I44 HydrophobicContact CE2-CD1 3.22Å; F16-I44 HydrophobicContact CZ-CD1 3.46Å; F16-I44 VanDerWaalsContact CZ-CD1 3.46Å; F16-I48 HydrophobicContact CB-CD1 4.01Å; F16-I48 HydrophobicContact CD1-CD1 4.36Å; F16-I48 HydrophobicContact CD2-CD1 3.96Å; F16-I48 HydrophobicContact CG-CD1 3.84Å; F16-Y90 HydrophobicContact CB-CD1 4.4Å; F16-Y90 HydrophobicContact CB-CE1 4.14Å; F16-Y90 HydrophobicContact CD1-CD1 4.05Å; F16-V107 HydrophobicContact CB-CG1 4.27Å; F16-V107 HydrophobicContact CD1-CG1 4.45Å; F16-V107 WeakPolarHBondContact O-CG1 3.49Å
17E93.8Very high91.5Very high40 Ų4053.9 Ų53.919%0.18729%0.286CS..THydrogen-bonded Turntrans48.744.9164.2-48.9-165-128.800113.7S13 I14 N19 E20 T21 V107 K110S13-E17 PolarHBondContact O-N 3.42Å; I14-E17 PolarHBondContact O-N 3.17Å; E17-N19 VanDerWaalsContact C-N 3.3Å; E17-N19 PolarHBondContact O-N 2.87Å; E17-E20 VanDerWaalsContact CA-OE2 3.23Å; E17-E20 WeakPolarHBondContact CA-OE2 3.49Å; E17-E20 HydrophobicContact CB-CB 4.19Å; E17-E20 HydrophobicContact CB-CG 4.49Å; E17-E20 PolarHBondContact O-N 3.49Å; E17-T21 WeakPolarHBondContact O-CB 3.35Å; E17-T21 PolarHBondContact O-N 3.27Å; E17-T21 PolarHBondContact O-OG1 3.03Å; E17-V107 HydrophobicContact CB-CG1 4.31Å; E17-V107 HydrophobicContact CG-CG1 4.41Å; E17-K110 HydrophobicContact CG-CD 4.36Å; E17-K110 VanDerWaalsContact CG-NZ 3.35Å; E17-K110 VanDerWaalsContact OE1-CE 3.26Å; E17-K110 WeakPolarHBondContact OE1-CE 3.21Å; E17-K110 IonicContact OE1-NZ 2.71Å; E17-K110 WeakPolarHBondContact OE2-CE 2.97Å; E17-K110 IonicContact OE2-NZ 3.74Å; E17-K110 PolarHBondContact OE2-NZ 3.12Å
18I96.1Very high92.5Very high2 Ų254.8 Ų54.81%0.0128%0.284CS..Hα-helixtrans-66.1-38-169.9-65.9-172.1000110.8I12 S13 F16 A22 I48 Q51 L52 I55I12-I18 HydrophobicContact CG2-CD1 4.17Å; S13-I18 PolarHBondContact O-N 2.97Å; F16-I18 VanDerWaalsContact C-N 3.26Å; F16-I18 PolarHBondContact O-N 3.41Å; I18-A22 VanDerWaalsContact O-CB 3.29Å; I18-A22 WeakPolarHBondContact O-CB 3.25Å; I18-A22 PolarHBondContact O-N 3.21Å; I18-I48 HydrophobicContact CD1-CB 4.46Å; I18-I48 HydrophobicContact CD1-CG1 4.23Å; I18-I48 HydrophobicContact CD1-CG2 4.32Å; I18-I48 HydrophobicContact CG1-CG2 4.5Å; I18-Q51 HydrophobicContact CD1-CB 3.88Å; I18-Q51 HydrophobicContact CG2-CB 4.13Å; I18-L52 HydrophobicContact CG2-CD2 3.79Å; I18-L52 HydrophobicContact CG2-CG 4.09Å; I18-L52 WeakPolarHBondContact O-CD2 3.42Å; I18-I55 HydrophobicContact CG2-CD1 3.92Å
19N96Very high93.3Very high90 Ų9056.5 Ų56.548%0.48128%0.284SS..Hα-helixtrans-68.7-42.5179.4-68.2-42.8000111.4E17 A22 N23E17-N19 VanDerWaalsContact C-N 3.3Å; E17-N19 PolarHBondContact O-N 2.87Å; N19-A22 PolarHBondContact O-N 3.35Å; N19-N23 WeakPolarHBondContact O-CB 3.22Å; N19-N23 PolarHBondContact O-N 3.17Å; N19-N23 PolarHBondContact O-ND2 3.08Å
20E96.3Very high94Very high77 Ų7756.6 Ų56.636%0.3628%0.282SS..Hα-helixtrans-64.6-43.9177.1-62.386.516200110.8E17 N23 W24E17-E20 VanDerWaalsContact CA-OE2 3.23Å; E17-E20 WeakPolarHBondContact CA-OE2 3.49Å; E17-E20 HydrophobicContact CB-CB 4.19Å; E17-E20 HydrophobicContact CB-CG 4.49Å; E17-E20 PolarHBondContact O-N 3.49Å; E20-N23 PolarHBondContact O-N 2.84Å; E20-W24 PolarHBondContact O-N 2.79Å
21T97Very high94.7Very high0 Ų054.9 Ų54.90%027%0.269CS..Hα-helixtrans-59.8-47.1174-55.50000110.8E17 N23 W24 I25 L52 I88 Y105E17-T21 WeakPolarHBondContact O-CB 3.35Å; E17-T21 PolarHBondContact O-N 3.27Å; E17-T21 PolarHBondContact O-OG1 3.03Å; T21-N23 VanDerWaalsContact C-N 3.34Å; T21-N23 PolarHBondContact O-N 3.31Å; T21-W24 WeakPolarHBondContact O-CB 3.14Å; T21-W24 PolarHBondContact O-N 3.04Å; T21-I25 HydrophobicContact CG2-CD1 4.17Å; T21-I25 VanDerWaalsContact O-CG1 3.31Å; T21-I25 WeakPolarHBondContact O-CG1 3.41Å; T21-I25 PolarHBondContact O-N 3.17Å; T21-L52 HydrophobicContact CG2-CD1 4.3Å; T21-L52 HydrophobicContact CG2-CD2 3.91Å; T21-I88 HydrophobicContact CG2-CG1 3.81Å; T21-I88 HydrophobicContact CG2-CG2 4.06Å; T21-Y105 HydrophobicContact CG2-CD1 4.23Å; T21-Y105 HydrophobicContact CG2-CE1 4.38Å; T21-Y105 WeakPolarHBondContact OG1-CE1 3.45Å
22A97.2Very high95.2Very high0 Ų056.3 Ų56.30%027%0.274CS..Hα-helixtrans-61.7-40.6177.100000112.5I18 N19 I25 K26 L52 I55 V56I18-A22 VanDerWaalsContact O-CB 3.29Å; I18-A22 WeakPolarHBondContact O-CB 3.25Å; I18-A22 PolarHBondContact O-N 3.21Å; N19-A22 PolarHBondContact O-N 3.35Å; A22-I25 PolarHBondContact O-N 2.99Å; A22-K26 WeakPolarHBondContact O-CG 3.39Å; A22-K26 PolarHBondContact O-N 2.71Å; A22-L52 HydrophobicContact CB-CD2 4.19Å; A22-I55 HydrophobicContact CB-CB 4.07Å; A22-I55 HydrophobicContact CB-CD1 4.4Å; A22-I55 HydrophobicContact CB-CG2 3.55Å; A22-V56 HydrophobicContact CB-CG2 3.57Å
23N96.8Very high95.5Very high100 Ų10056.2 Ų56.254%0.53527%0.274SS..Hα-helixtrans-63.9-40.5175.3-72.2-24.1000111.7N19 E20 T21 K26 K27N19-N23 WeakPolarHBondContact O-CB 3.22Å; N19-N23 PolarHBondContact O-N 3.17Å; N19-N23 PolarHBondContact O-ND2 3.08Å; E20-N23 PolarHBondContact O-N 2.84Å; T21-N23 VanDerWaalsContact C-N 3.34Å; T21-N23 PolarHBondContact O-N 3.31Å; N23-K26 PolarHBondContact O-N 3Å; N23-K27 VanDerWaalsContact O-CB 3.24Å; N23-K27 WeakPolarHBondContact O-CB 3.21Å; N23-K27 PolarHBondContact O-N 3.35Å
24W96.9Very high95.8Very high49 Ų4954.4 Ų54.419%0.18626%0.261CS..Hα-helixtrans-63.2-42.2175.2-178.884.3000112.1E20 T21 N28 F30 A86 I88 P103 Y105E20-W24 PolarHBondContact O-N 2.79Å; T21-W24 WeakPolarHBondContact O-CB 3.14Å; T21-W24 PolarHBondContact O-N 3.04Å; W24-N28 PolarHBondContact NE1-ND2 3.13Å; W24-N28 PolarHBondContact O-N 3.09Å; W24-N28 PolarHBondContact O-ND2 3.07Å; W24-F30 HydrophobicContact CD2-CE2 4.19Å; W24-F30 HydrophobicContact CE3-CD2 4.25Å; W24-F30 AromaticContact CE3-CE2 3.86Å; W24-F30 HydrophobicContact CE3-CE2 3.86Å; W24-F30 HydrophobicContact CH2-CD2 4.22Å; W24-F30 AromaticContact CH2-CE2 3.37Å; W24-F30 HydrophobicContact CH2-CE2 3.37Å; W24-F30 AromaticContact CH2-CZ 3.98Å; W24-F30 HydrophobicContact CH2-CZ 3.98Å; W24-F30 AromaticContact CZ2-CE2 3.68Å; W24-F30 HydrophobicContact CZ2-CE2 3.68Å; W24-F30 HydrophobicContact CZ2-CZ 4.1Å; W24-F30 AromaticContact CZ3-CD2 3.89Å; W24-F30 HydrophobicContact CZ3-CD2 3.89Å; W24-F30 AromaticContact CZ3-CE2 3.45Å; W24-F30 HydrophobicContact CZ3-CE2 3.45Å; W24-F30 VanDerWaalsContact CZ3-CE2 3.45Å; W24-F30 HydrophobicContact CZ3-CZ 4.46Å; W24-A86 HydrophobicContact CH2-CB 3.76Å; W24-A86 HydrophobicContact CZ3-CB 4.01Å; W24-I88 HydrophobicContact CZ3-CD1 4.22Å; W24-I88 HydrophobicContact CZ3-CG1 4.37Å; W24-P103 HydrophobicContact CH2-CB 4.32Å; W24-P103 HydrophobicContact CZ2-CB 4.28Å; W24-Y105 HydrophobicContact CB-CD2 4.18Å; W24-Y105 HydrophobicContact CB-CE2 4.05Å; W24-Y105 AromaticContact CD1-CD2 3.63Å; W24-Y105 AromaticContact CD1-CE2 3.87Å; W24-Y105 AromaticContact CD2-CD2 3.62Å; W24-Y105 HydrophobicContact CD2-CD2 3.62Å; W24-Y105 HydrophobicContact CD2-CE2 4.38Å; W24-Y105 AromaticContact CD2-CG 3.83Å; W24-Y105 HydrophobicContact CD2-CG 3.83Å; W24-Y105 AromaticContact CE2-CD2 3.75Å; W24-Y105 HydrophobicContact CE3-CD2 4.23Å; W24-Y105 AromaticContact CE3-CG 3.96Å; W24-Y105 HydrophobicContact CE3-CG 3.96Å; W24-Y105 AromaticContact CG-CD2 3.57Å; W24-Y105 HydrophobicContact CG-CD2 3.57Å; W24-Y105 AromaticContact CG-CE2 3.85Å; W24-Y105 HydrophobicContact CG-CE2 3.85Å; W24-Y105 HydrophobicContact CG-CG 4.15Å; W24-Y105 HydrophobicContact CZ2-CD2 4.43Å; W24-Y105 HydrophobicContact CZ3-CG 4.35Å; W24-Y105 AromaticContact NE1-CD2 3.74Å
25I97.1Very high96Very high1 Ų149.7 Ų49.71%0.00524%0.237CC..Hα-helixtrans-61.4-50.2175.8-64.9166.2000110.7T21 A22 N28 K29 F30 V33 V56 C59 I88T21-I25 HydrophobicContact CG2-CD1 4.17Å; T21-I25 VanDerWaalsContact O-CG1 3.31Å; T21-I25 WeakPolarHBondContact O-CG1 3.41Å; T21-I25 PolarHBondContact O-N 3.17Å; A22-I25 PolarHBondContact O-N 2.99Å; I25-N28 PolarHBondContact O-N 3.44Å; I25-K29 PolarHBondContact O-N 2.81Å; I25-F30 HydrophobicContact CG2-CB 4.31Å; I25-F30 PolarHBondContact O-N 3.43Å; I25-V33 HydrophobicContact CD1-CG2 4.08Å; I25-V33 HydrophobicContact CG1-CG1 4.33Å; I25-V33 HydrophobicContact CG2-CG1 4.4Å; I25-V56 HydrophobicContact CB-CG2 4.44Å; I25-V56 HydrophobicContact CG2-CG1 3.82Å; I25-V56 HydrophobicContact CG2-CG2 4.47Å; I25-C59 HydrophobicContact CG2-CB 3.89Å; I25-I88 HydrophobicContact CD1-CD1 4.38Å
26K96.4Very high96.1Very high94 Ų9450 Ų5041%0.40924%0.239SC..Hα-helixtrans-62.3-44.4179.6-74.3177.2176.4175.80112.5A22 N23 N28 K29 I55 V56A22-K26 WeakPolarHBondContact O-CG 3.39Å; A22-K26 PolarHBondContact O-N 2.71Å; N23-K26 PolarHBondContact O-N 3Å; K26-N28 VanDerWaalsContact C-N 3.29Å; K26-N28 PolarHBondContact O-N 2.85Å; K26-K29 PolarHBondContact O-N 3.24Å; K26-I55 WeakPolarHBondContact CE-O 3.33Å; K26-I55 PolarHBondContact NZ-O 3Å; K26-V56 HydrophobicContact CG-CG1 4.14Å; K26-V56 HydrophobicContact CG-CG2 4.24Å
27K96.2Very high96.1Very high172 Ų17250.6 Ų50.675%0.74824%0.241SC*.Hα-helixtrans-57.8-42.7179.8-179.7-178.7175.6-175.50111.7N23N23-K27 VanDerWaalsContact O-CB 3.24Å; N23-K27 WeakPolarHBondContact O-CB 3.21Å; N23-K27 PolarHBondContact O-N 3.35Å
28N95.5Very high95.8Very high71 Ų7148.8 Ų48.838%0.3823%0.233SC..Hα-helixtrans-90.6-1.9-178.2-65.3-63.6000113.8W24 I25 K26 F30W24-N28 PolarHBondContact NE1-ND2 3.13Å; W24-N28 PolarHBondContact O-N 3.09Å; W24-N28 PolarHBondContact O-ND2 3.07Å; I25-N28 PolarHBondContact O-N 3.44Å; K26-N28 VanDerWaalsContact C-N 3.29Å; K26-N28 PolarHBondContact O-N 2.85Å; N28-F30 VanDerWaalsContact C-N 3.3Å; N28-F30 HydrophobicContact CB-CD1 4.33Å; N28-F30 HydrophobicContact CB-CD2 3.8Å; N28-F30 HydrophobicContact CB-CE1 3.9Å; N28-F30 HydrophobicContact CB-CE2 3.29Å; N28-F30 HydrophobicContact CB-CG 4.28Å; N28-F30 HydrophobicContact CB-CZ 3.35Å; N28-F30 PolarHBondContact O-N 2.75Å
29K95.1Very high95.3Very high178 Ų17853.4 Ų53.477%0.77426%0.258SS*.THydrogen-bonded Turntrans5541178-54.5178.6-179.7178.40113.2I25 K26I25-K29 PolarHBondContact O-N 2.81Å; K26-K29 PolarHBondContact O-N 3.24Å
30F96.9Very high94.7Very high27 Ų2755 Ų5512%0.11826%0.262CS..  trans-71.1135.5176.2-59.8-53.4000110.8W24 I25 N28 V33 C59 N85 A86 P103W24-F30 HydrophobicContact CD2-CE2 4.19Å; W24-F30 HydrophobicContact CE3-CD2 4.25Å; W24-F30 AromaticContact CE3-CE2 3.86Å; W24-F30 HydrophobicContact CE3-CE2 3.86Å; W24-F30 HydrophobicContact CH2-CD2 4.22Å; W24-F30 AromaticContact CH2-CE2 3.37Å; W24-F30 HydrophobicContact CH2-CE2 3.37Å; W24-F30 AromaticContact CH2-CZ 3.98Å; W24-F30 HydrophobicContact CH2-CZ 3.98Å; W24-F30 AromaticContact CZ2-CE2 3.68Å; W24-F30 HydrophobicContact CZ2-CE2 3.68Å; W24-F30 HydrophobicContact CZ2-CZ 4.1Å; W24-F30 AromaticContact CZ3-CD2 3.89Å; W24-F30 HydrophobicContact CZ3-CD2 3.89Å; W24-F30 AromaticContact CZ3-CE2 3.45Å; W24-F30 HydrophobicContact CZ3-CE2 3.45Å; W24-F30 VanDerWaalsContact CZ3-CE2 3.45Å; W24-F30 HydrophobicContact CZ3-CZ 4.46Å; I25-F30 HydrophobicContact CG2-CB 4.31Å; I25-F30 PolarHBondContact O-N 3.43Å; N28-F30 VanDerWaalsContact C-N 3.3Å; N28-F30 HydrophobicContact CB-CD1 4.33Å; N28-F30 HydrophobicContact CB-CD2 3.8Å; N28-F30 HydrophobicContact CB-CE1 3.9Å; N28-F30 HydrophobicContact CB-CE2 3.29Å; N28-F30 HydrophobicContact CB-CG 4.28Å; N28-F30 HydrophobicContact CB-CZ 3.35Å; N28-F30 PolarHBondContact O-N 2.75Å; F30-V33 HydrophobicContact CB-CG1 3.68Å; F30-V33 HydrophobicContact CD2-CG1 4.3Å; F30-V33 HydrophobicContact CG-CG1 4.27Å; F30-C59 WeakPolarHBondContact O-CB 3.28Å; F30-C59 PolarHBondContact O-SG 3.29Å; F30-C59 VanDerWaalsContact O-SG 3.41Å; F30-N85 HydrophobicContact CB-CB 4.49Å; F30-N85 HydrophobicContact CD1-CB 4.03Å; F30-A86 HydrophobicContact CD1-CB 3.89Å; F30-A86 HydrophobicContact CD2-CB 3.64Å; F30-A86 HydrophobicContact CE1-CB 3.83Å; F30-A86 HydrophobicContact CE2-CB 3.59Å; F30-A86 HydrophobicContact CG-CB 3.81Å; F30-A86 HydrophobicContact CZ-CB 3.68Å; F30-P103 HydrophobicContact CE1-CB 4.46Å; F30-P103 HydrophobicContact CE1-CG 4.1Å; F30-P103 HydrophobicContact CZ-CB 3.95Å; F30-P103 HydrophobicContact CZ-CG 4.07Å
31T96Very high94.4Very high92 Ų9252 Ų5256%0.56425%0.248SC*.SBendtrans-94-25.6-179.652.40000113.5C59 L60 N85T31-C59 WeakPolarHBondContact O-CA 3.32Å; T31-L60 PolarHBondContact O-N 3.39Å; T31-N85 PolarHBondContact N-OD1 2.94Å; T31-N85 PolarHBondContact OG1-OD1 2.94Å
32K97.2Very high94Very high49 Ų4955.5 Ų55.521%0.21327%0.267CS..EExtended strand (participates in β ladder)trans-145.7124.6178.4-171.6178.7-173.41780109.7L60 M82 I84 N85K32-L60 CarbonylContact C-O 3.41Å; K32-L60 VanDerWaalsContact CA-O 3.32Å; K32-L60 WeakPolarHBondContact CA-O 3.35Å; K32-L60 HydrophobicContact CD-CD2 4.17Å; K32-L60 HydrophobicContact CG-CB 4.24Å; K32-L60 HydrophobicContact CG-CD2 4.2Å; K32-L60 HydrophobicContact CG-CG 4.34Å; K32-M82 VanDerWaalsContact CE-O 3.29Å; K32-M82 WeakPolarHBondContact CE-O 3.2Å; K32-M82 PolarHBondContact NZ-O 3.25Å; K32-I84 HydrophobicContact CD-CG2 4.4Å; K32-I84 HydrophobicContact CG-CG2 4.23Å; K32-N85 PolarHBondContact N-OD1 2.95Å; K32-N85 PolarHBondContact O-N 3.26Å; K32-N85 PolarHBondContact O-OD1 3.36Å
33V97.3Very high93.6Very high0 Ų058.4 Ų58.40%030%0.297CS..EExtended strand (participates in β ladder)trans-124.6139.4-179.5-60.60000111.5I25 F30 L35 L60 C61 V62 A86 I88I25-V33 HydrophobicContact CD1-CG2 4.08Å; I25-V33 HydrophobicContact CG1-CG1 4.33Å; I25-V33 HydrophobicContact CG2-CG1 4.4Å; F30-V33 HydrophobicContact CB-CG1 3.68Å; F30-V33 HydrophobicContact CD2-CG1 4.3Å; F30-V33 HydrophobicContact CG-CG1 4.27Å; V33-L35 HydrophobicContact CG2-CD2 4.31Å; V33-L60 PolarHBondContact N-O 3.44Å; V33-C61 HydrophobicContact CG2-CB 4.11Å; V33-C61 VanDerWaalsContact CG2-SG 3.58Å; V33-V62 WeakPolarHBondContact O-CG2 3.4Å; V33-V62 PolarHBondContact O-N 2.79Å; V33-A86 WeakPolarHBondContact CA-O 3.33Å; V33-A86 HydrophobicContact CG1-CB 4.18Å; V33-I88 HydrophobicContact CB-CD1 3.54Å; V33-I88 HydrophobicContact CG1-CD1 4.09Å; V33-I88 HydrophobicContact CG2-CD1 3.8Å
34G96.2Very high93.3Very high0 Ų053.7 Ų53.70%027%0.271CS..EExtended strand (participates in β ladder)trans-92.6133173.100000110.6V62 A86 L87 I88G34-V62 CarbonylContact C-O 3.52Å; G34-V62 WeakPolarHBondContact CA-O 3.32Å; G34-A86 PolarHBondContact N-O 3.43Å; G34-L87 CarbonylContact O-C 3.53Å; G34-L87 WeakPolarHBondContact O-CA 3.36Å; G34-I88 PolarHBondContact O-N 3.44Å
35L96.3Very high93.2Very high0 Ų051.7 Ų51.70%027%0.265CS..EExtended strand (participates in β ladder)trans-104.6113.2174.2-47.9-178.8000108V33 F37 C49 L52 C61 V62 I63 L64 I88 Y90V33-L35 HydrophobicContact CG2-CD2 4.31Å; L35-F37 HydrophobicContact CB-CD2 4.29Å; L35-F37 HydrophobicContact CB-CE2 3.48Å; L35-F37 VanDerWaalsContact CB-CE2 3.48Å; L35-F37 HydrophobicContact CB-CZ 4.12Å; L35-F37 HydrophobicContact CD1-CE2 4.33Å; L35-C49 HydrophobicContact CD1-CB 3.67Å; L35-L52 HydrophobicContact CD1-CD1 4.06Å; L35-L52 HydrophobicContact CD2-CD1 3.89Å; L35-C61 HydrophobicContact CD1-CB 4.14Å; L35-C61 HydrophobicContact CG-CB 4.41Å; L35-V62 PolarHBondContact N-O 3.2Å; L35-I63 HydrophobicContact CD1-CG1 4.46Å; L35-L64 PolarHBondContact O-N 3.46Å; L35-I88 HydrophobicContact CD2-CB 3.91Å; L35-I88 HydrophobicContact CD2-CD1 3.89Å; L35-I88 HydrophobicContact CD2-CG1 4.09Å; L35-Y90 HydrophobicContact CB-CE2 4.3Å; L35-Y90 HydrophobicContact CD2-CE2 4.2Å
36Q94.5Very high93Very high7 Ų754.8 Ų54.83%0.03328%0.284CS..EExtended strand (participates in β ladder)trans-100129.4177.3-174.9-177.9-6.200109.5L64 C73 L87 I88 H89 Y90Q36-L64 HydrophobicContact CB-CD1 4.38Å; Q36-C73 PolarHBondContact NE2-O 3.27Å; Q36-L87 HydrophobicContact CB-CD2 4.13Å; Q36-L87 HydrophobicContact CB-CG 4.49Å; Q36-I88 PolarHBondContact N-O 2.84Å; Q36-H89 PolarHBondContact OE1-CD2 2.97Å; Q36-Y90 WeakPolarHBondContact O-CB 3.48Å; Q36-Y90 PolarHBondContact O-N 3.02Å
37F92.7Very high92.9Very high13 Ų1351.6 Ų51.66%0.05727%0.272CS..  trans-126.9145.8178.3-64.6-89000110.8L35 L41 L42 S45 I48 I63 Y90L35-F37 HydrophobicContact CB-CD2 4.29Å; L35-F37 HydrophobicContact CB-CE2 3.48Å; L35-F37 VanDerWaalsContact CB-CE2 3.48Å; L35-F37 HydrophobicContact CB-CZ 4.12Å; L35-F37 HydrophobicContact CD1-CE2 4.33Å; F37-L41 HydrophobicContact CB-CB 4.4Å; F37-L41 HydrophobicContact CD1-CB 4.05Å; F37-L42 HydrophobicContact CB-CD2 4.13Å; F37-S45 VanDerWaalsContact CD2-CB 3.47Å; F37-I48 HydrophobicContact CE1-CB 4.48Å; F37-I48 HydrophobicContact CE1-CD1 3.7Å; F37-I48 HydrophobicContact CE1-CG2 4.47Å; F37-I48 HydrophobicContact CZ-CB 4.19Å; F37-I48 HydrophobicContact CZ-CD1 4.26Å; F37-I48 HydrophobicContact CZ-CG2 4.07Å; F37-I63 HydrophobicContact CD2-CG2 4.18Å; F37-I63 HydrophobicContact CE2-CG1 4.44Å; F37-I63 HydrophobicContact CE2-CG2 4.44Å; F37-Y90 AromaticContact CD1-CD2 3.84Å; F37-Y90 HydrophobicContact CD1-CD2 3.84Å; F37-Y90 AromaticContact CD1-CG 3.76Å; F37-Y90 HydrophobicContact CD1-CG 3.76Å; F37-Y90 HydrophobicContact CD2-CD2 4.5Å; F37-Y90 AromaticContact CE1-CD1 3.95Å; F37-Y90 HydrophobicContact CE1-CD1 3.95Å; F37-Y90 AromaticContact CE1-CD2 3.26Å; F37-Y90 HydrophobicContact CE1-CD2 3.26Å; F37-Y90 HydrophobicContact CE1-CE1 4.44Å; F37-Y90 AromaticContact CE1-CE2 3.82Å; F37-Y90 HydrophobicContact CE1-CE2 3.82Å; F37-Y90 AromaticContact CE1-CG 3.34Å; F37-Y90 HydrophobicContact CE1-CG 3.34Å; F37-Y90 HydrophobicContact CE2-CD2 4.04Å; F37-Y90 HydrophobicContact CE2-CE2 4.32Å; F37-Y90 HydrophobicContact CG-CD2 4.42Å; F37-Y90 AromaticContact CZ-CD2 3.38Å; F37-Y90 HydrophobicContact CZ-CD2 3.38Å; F37-Y90 AromaticContact CZ-CE2 3.56Å; F37-Y90 HydrophobicContact CZ-CE2 3.56Å; F37-Y90 AromaticContact CZ-CG 3.97Å; F37-Y90 HydrophobicContact CZ-CG 3.97Å
38P88.5Confident92.9Very high3 Ų343.4 Ų43.42%0.01924%0.236CC..  trans-74.3162.216636-40.2000110.4E40 L41 L42 Y90P38-E40 WeakPolarHBondContact CB-OE1 3.34Å; P38-E40 HydrophobicContact CG-CG 4.19Å; P38-E40 PolarHBondContact O-N 3.33Å; P38-E40 VanDerWaalsContact O-N 3.14Å; P38-L41 HydrophobicContact CG-CB 4.01Å; P38-L41 HydrophobicContact CG-CD1 3.86Å; P38-L41 HydrophobicContact CG-CG 3.8Å; P38-L41 PolarHBondContact O-N 3.11Å; P38-L42 PolarHBondContact O-N 2.88Å; P38-Y90 WeakPolarHBondContact CD-O 3.47Å
39D85.3Confident92.9Very high99 Ų9940.6 Ų40.653%0.52922%0.223SC..G310 helixtrans-51.6-41.3-175.7-67.7-12.7000112.2L41 L42 R354D39-L41 VanDerWaalsContact C-N 3.29Å; D39-L41 PolarHBondContact O-N 3.38Å; D39-L42 PolarHBondContact O-N 2.77Å; D39-R354 IonicContact OD2-NH1 2.65Å; D39-R354 PolarHBondContact OD2-NH1 3.05Å
40E83.4Confident92.9Very high122 Ų12240.8 Ų40.857%0.5722%0.218SC*.G310 helixtrans-67.6-21.9-179.763.1-87.2-164.800114.6P38P38-E40 WeakPolarHBondContact CB-OE1 3.34Å; P38-E40 HydrophobicContact CG-CG 4.19Å; P38-E40 PolarHBondContact O-N 3.33Å; P38-E40 VanDerWaalsContact O-N 3.14Å
41L89.4Confident92.8Very high14 Ų1442.2 Ų42.27%0.07323%0.225CC..G310 helixtrans-103.3-2.3178.9-60.6-176.2000113.2W5 F16 F37 P38 D39 G43 I44 S45W5-L41 HydrophobicContact CE3-CD2 4.15Å; F16-L41 HydrophobicContact CE1-CD1 3.71Å; F16-L41 HydrophobicContact CE1-CD2 4.22Å; F16-L41 HydrophobicContact CZ-CD1 4.2Å; F16-L41 HydrophobicContact CZ-CD2 3.85Å; F37-L41 HydrophobicContact CB-CB 4.4Å; F37-L41 HydrophobicContact CD1-CB 4.05Å; P38-L41 HydrophobicContact CG-CB 4.01Å; P38-L41 HydrophobicContact CG-CD1 3.86Å; P38-L41 HydrophobicContact CG-CG 3.8Å; P38-L41 PolarHBondContact O-N 3.11Å; D39-L41 VanDerWaalsContact C-N 3.29Å; D39-L41 PolarHBondContact O-N 3.38Å; L41-G43 PolarHBondContact O-N 3.42Å; L41-I44 HydrophobicContact CB-CG1 4.28Å; L41-I44 HydrophobicContact CD2-CD1 3.98Å; L41-I44 HydrophobicContact CD2-CG1 4.49Å; L41-I44 WeakPolarHBondContact O-CG1 3.39Å; L41-I44 PolarHBondContact O-N 2.88Å; L41-I44 VanDerWaalsContact O-N 3.1Å; L41-S45 PolarHBondContact O-N 2.91Å
42L88.9Confident92.8Very high74 Ų7437.9 Ų37.939%0.38720%0.199SC..Hα-helixtrans-57-34.6178.4-73.9175.9000112.4F37 P38 D39 I44 S45F37-L42 HydrophobicContact CB-CD2 4.13Å; P38-L42 PolarHBondContact O-N 2.88Å; D39-L42 PolarHBondContact O-N 2.77Å; L42-I44 PolarHBondContact O-N 2.9Å; L42-S45 WeakPolarHBondContact O-CB 3.47Å; L42-S45 PolarHBondContact O-N 3.21Å; L42-S45 PolarHBondContact O-OG 3.19Å
43G88.3Confident92.7Very high61 Ų6138.2 Ų38.263%0.62920%0.203SC*.Hα-helixtrans-61.8-26.317900000114.8L41L41-G43 PolarHBondContact O-N 3.42Å
44I91.9Very high92.6Very high1 Ų142.4 Ų42.41%0.00523%0.232CC..Hα-helixtrans-105.1-7.5179.162.7167.9000113.4W5 I12 F16 L41 L42 V46 V47 I48W5-I44 HydrophobicContact CB-CD1 4.19Å; W5-I44 HydrophobicContact CB-CG2 3.99Å; W5-I44 WeakPolarHBondContact O-CG2 3.36Å; I12-I44 HydrophobicContact CD1-CG2 4.42Å; F16-I44 HydrophobicContact CD2-CD1 3.91Å; F16-I44 HydrophobicContact CE1-CD1 4.3Å; F16-I44 HydrophobicContact CE2-CD1 3.22Å; F16-I44 HydrophobicContact CZ-CD1 3.46Å; F16-I44 VanDerWaalsContact CZ-CD1 3.46Å; L41-I44 HydrophobicContact CB-CG1 4.28Å; L41-I44 HydrophobicContact CD2-CD1 3.98Å; L41-I44 HydrophobicContact CD2-CG1 4.49Å; L41-I44 WeakPolarHBondContact O-CG1 3.39Å; L41-I44 PolarHBondContact O-N 2.88Å; L41-I44 VanDerWaalsContact O-N 3.1Å; L42-I44 PolarHBondContact O-N 2.9Å; I44-V46 PolarHBondContact O-N 3.08Å; I44-V47 WeakPolarHBondContact O-CB 3.32Å; I44-V47 PolarHBondContact O-N 3.28Å; I44-I48 HydrophobicContact CD1-CD1 3.81Å; I44-I48 HydrophobicContact CG1-CD1 4.06Å; I44-I48 PolarHBondContact O-N 2.9Å
45S93.3Very high92.6Very high7 Ų744.8 Ų44.85%0.04924%0.244CC..Hα-helixtrans-52.5-40.6-178.264.50000113.1F37 L41 L42 C49F37-S45 VanDerWaalsContact CD2-CB 3.47Å; L41-S45 PolarHBondContact O-N 2.91Å; L42-S45 WeakPolarHBondContact O-CB 3.47Å; L42-S45 PolarHBondContact O-N 3.21Å; L42-S45 PolarHBondContact O-OG 3.19Å; S45-C49 VanDerWaalsContact O-CB 3.23Å; S45-C49 WeakPolarHBondContact O-CB 3.46Å; S45-C49 PolarHBondContact O-N 2.91Å
46V94.1Very high92.5Very high66 Ų6644.9 Ų44.940%0.425%0.245SC..Hα-helixtrans-66.7-38.4178.7-179.90000111.7I44 R50 I63I44-V46 PolarHBondContact O-N 3.08Å; V46-R50 WeakPolarHBondContact O-CB 3.19Å; V46-R50 VanDerWaalsContact O-CG 3.26Å; V46-R50 WeakPolarHBondContact O-CG 3.14Å; V46-R50 PolarHBondContact O-N 3.36Å; V46-I63 HydrophobicContact CG2-CD1 4.23Å
47V94.4Very high92.4Very high27 Ų2750.4 Ų50.416%0.16428%0.279CS..Hα-helixtrans-67-48.7178.7179.50000109.9A7 I12 I44 C49 R50 Q51A7-V47 HydrophobicContact CB-CG2 3.71Å; I12-V47 HydrophobicContact CD1-CG1 4.06Å; I12-V47 HydrophobicContact CG2-CG1 4.5Å; I44-V47 WeakPolarHBondContact O-CB 3.32Å; I44-V47 PolarHBondContact O-N 3.28Å; V47-C49 PolarHBondContact O-N 3.36Å; V47-R50 PolarHBondContact O-N 2.92Å; V47-Q51 WeakPolarHBondContact O-CG 3.2Å; V47-Q51 PolarHBondContact O-N 3.11Å
48I95.6Very high92.4Very high0 Ų055.3 Ų55.30%031%0.306CS..Hα-helixtrans-59.7-47.4177.7-67.5170.2000110.6I12 F16 I18 F37 I44 R50 Q51 L52 Y90I12-I48 HydrophobicContact CG2-CD1 4.39Å; I12-I48 HydrophobicContact CG2-CG1 3.73Å; F16-I48 HydrophobicContact CB-CD1 4.01Å; F16-I48 HydrophobicContact CD1-CD1 4.36Å; F16-I48 HydrophobicContact CD2-CD1 3.96Å; F16-I48 HydrophobicContact CG-CD1 3.84Å; I18-I48 HydrophobicContact CD1-CB 4.46Å; I18-I48 HydrophobicContact CD1-CG1 4.23Å; I18-I48 HydrophobicContact CD1-CG2 4.32Å; I18-I48 HydrophobicContact CG1-CG2 4.5Å; F37-I48 HydrophobicContact CE1-CB 4.48Å; F37-I48 HydrophobicContact CE1-CD1 3.7Å; F37-I48 HydrophobicContact CE1-CG2 4.47Å; F37-I48 HydrophobicContact CZ-CB 4.19Å; F37-I48 HydrophobicContact CZ-CD1 4.26Å; F37-I48 HydrophobicContact CZ-CG2 4.07Å; I44-I48 HydrophobicContact CD1-CD1 3.81Å; I44-I48 HydrophobicContact CG1-CD1 4.06Å; I44-I48 PolarHBondContact O-N 2.9Å; I48-R50 PolarHBondContact O-N 3.01Å; I48-Q51 PolarHBondContact O-N 2.79Å; I48-L52 HydrophobicContact CG2-CD1 4.13Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 2.96Å; I48-Y90 HydrophobicContact CD1-CE1 4.42Å; I48-Y90 HydrophobicContact CG2-CE1 4.01Å; I48-Y90 HydrophobicContact CG2-CE2 4.25Å; I48-Y90 WeakPolarHBondContact CG2-OH 3.36Å
49C95.9Very high92.8Very high13 Ų1355.5 Ų55.59%0.08831%0.307CS..Hα-helixtrans-59.6-43.3178.3-174.60000112.3L35 S45 V47 L52 N53 I63L35-C49 HydrophobicContact CD1-CB 3.67Å; S45-C49 VanDerWaalsContact O-CB 3.23Å; S45-C49 WeakPolarHBondContact O-CB 3.46Å; S45-C49 PolarHBondContact O-N 2.91Å; V47-C49 PolarHBondContact O-N 3.36Å; C49-L52 PolarHBondContact O-N 3.49Å; C49-N53 WeakPolarHBondContact O-CB 3.39Å; C49-N53 PolarHBondContact O-N 3.46Å; C49-N53 PolarHBondContact O-ND2 3.29Å; C49-I63 HydrophobicContact CB-CD1 3.92Å; C49-I63 HydrophobicContact CB-CG1 4.04Å
50R94.9Very high93.3Very high181 Ų18155.4 Ų55.468%0.68331%0.306SS*.Hα-helixtrans-64.4-44.3176.2-76.8175.1178169.50.8112.2V46 V47 I48 N53 S54V46-R50 WeakPolarHBondContact O-CB 3.19Å; V46-R50 VanDerWaalsContact O-CG 3.26Å; V46-R50 WeakPolarHBondContact O-CG 3.14Å; V46-R50 PolarHBondContact O-N 3.36Å; V47-R50 PolarHBondContact O-N 2.92Å; I48-R50 PolarHBondContact O-N 3.01Å; R50-N53 PolarHBondContact O-N 2.86Å; R50-S54 PolarHBondContact O-N 3.48Å
51Q95.2Very high93.9Very high58 Ų5850 Ų5027%0.27128%0.282SS..Hα-helixtrans-64.2-42.8178-72.7176.7-27.400111.1S13 I18 V47 I48 S54 I55S13-Q51 PolarHBondContact OG-NE2 2.95Å; S13-Q51 PolarHBondContact OG-OE1 3.48Å; I18-Q51 HydrophobicContact CD1-CB 3.88Å; I18-Q51 HydrophobicContact CG2-CB 4.13Å; V47-Q51 WeakPolarHBondContact O-CG 3.2Å; V47-Q51 PolarHBondContact O-N 3.11Å; I48-Q51 PolarHBondContact O-N 2.79Å; Q51-S54 PolarHBondContact O-N 3.36Å; Q51-S54 PolarHBondContact O-OG 2.87Å; Q51-I55 PolarHBondContact O-N 2.93Å
52L96.1Very high94.1Very high0 Ų050.4 Ų50.40%029%0.285CS..Hα-helixtrans-59.6-48.8173.4-77.1174.3000112.7I18 T21 A22 L35 I48 C49 S54 I55 V56 Y90I18-L52 HydrophobicContact CG2-CD2 3.79Å; I18-L52 HydrophobicContact CG2-CG 4.09Å; I18-L52 WeakPolarHBondContact O-CD2 3.42Å; T21-L52 HydrophobicContact CG2-CD1 4.3Å; T21-L52 HydrophobicContact CG2-CD2 3.91Å; A22-L52 HydrophobicContact CB-CD2 4.19Å; L35-L52 HydrophobicContact CD1-CD1 4.06Å; L35-L52 HydrophobicContact CD2-CD1 3.89Å; I48-L52 HydrophobicContact CG2-CD1 4.13Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 2.96Å; C49-L52 PolarHBondContact O-N 3.49Å; L52-S54 PolarHBondContact O-N 2.96Å; L52-I55 PolarHBondContact O-N 3.46Å; L52-V56 PolarHBondContact O-N 2.74Å; L52-Y90 WeakPolarHBondContact CD1-OH 3.24Å
53N94.9Very high94.4Very high56 Ų5649.8 Ų49.830%0.29928%0.282SS..Hα-helixtrans-63.2-26.6178.8-76.7-27.6000113C49 R50 I55 C61C49-N53 WeakPolarHBondContact O-CB 3.39Å; C49-N53 PolarHBondContact O-N 3.46Å; C49-N53 PolarHBondContact O-ND2 3.29Å; R50-N53 PolarHBondContact O-N 2.86Å; N53-I55 VanDerWaalsContact C-N 3.3Å; N53-C61 VanDerWaalsContact OD1-CB 3.24Å; N53-C61 WeakPolarHBondContact OD1-CB 3.36Å; N53-C61 PolarHBondContact OD1-N 3.08Å; N53-C61 PolarHBondContact OD1-SG 3.46Å
54S94.7Very high94.6Very high88 Ų8847.6 Ų47.662%0.61526%0.255SS*.Hα-helixtrans-70.3-25.6172.772.50000113.5R50 Q51 L52R50-S54 PolarHBondContact O-N 3.48Å; Q51-S54 PolarHBondContact O-N 3.36Å; Q51-S54 PolarHBondContact O-OG 2.87Å; L52-S54 PolarHBondContact O-N 2.96Å
55I95.8Very high94.1Very high51 Ų5151 Ų5126%0.26229%0.291SS..Hα-helixtrans-95.6-40.2-179-59.8166.5000111I18 A22 K26 Q51 L52 N53I18-I55 HydrophobicContact CG2-CD1 3.92Å; A22-I55 HydrophobicContact CB-CB 4.07Å; A22-I55 HydrophobicContact CB-CD1 4.4Å; A22-I55 HydrophobicContact CB-CG2 3.55Å; K26-I55 WeakPolarHBondContact CE-O 3.33Å; K26-I55 PolarHBondContact NZ-O 3Å; Q51-I55 PolarHBondContact O-N 2.93Å; L52-I55 PolarHBondContact O-N 3.46Å; N53-I55 VanDerWaalsContact C-N 3.3Å
56V94.5Very high93.4Very high1 Ų155.4 Ų55.41%0.00631%0.314CS..  trans-112.787.6-179.5-164.20000108.8A22 I25 K26 L52 D58 C59A22-V56 HydrophobicContact CB-CG2 3.57Å; I25-V56 HydrophobicContact CB-CG2 4.44Å; I25-V56 HydrophobicContact CG2-CG1 3.82Å; I25-V56 HydrophobicContact CG2-CG2 4.47Å; K26-V56 HydrophobicContact CG-CG1 4.14Å; K26-V56 HydrophobicContact CG-CG2 4.24Å; L52-V56 PolarHBondContact O-N 2.74Å; V56-D58 VanDerWaalsContact CG1-OD1 3.3Å; V56-D58 WeakPolarHBondContact CG1-OD1 3.4Å; V56-C59 HydrophobicContact CB-CB 4.4Å; V56-C59 HydrophobicContact CG1-CB 3.51Å
57T92.1Very high91.9Very high124 Ų12457.3 Ų57.376%0.76133%0.33SS*.THydrogen-bonded Turntrans-81.3-17-175.252.90000113.7
58D93.7Very high90.4Very high116 Ų11657.1 Ų57.162%0.6233%0.33SS*.THydrogen-bonded Turntrans-93.30.6-179.259.8-36.9000113.7V56V56-D58 VanDerWaalsContact CG1-OD1 3.3Å; V56-D58 WeakPolarHBondContact CG1-OD1 3.4Å
59C95.6Very high88.9Confident6 Ų659.7 Ų59.74%0.04134%0.342CS..SBendtrans-121.5130.8178.1177.20000111.1I25 F30 T31 V56 C61I25-C59 HydrophobicContact CG2-CB 3.89Å; F30-C59 WeakPolarHBondContact O-CB 3.28Å; F30-C59 PolarHBondContact O-SG 3.29Å; F30-C59 VanDerWaalsContact O-SG 3.41Å; T31-C59 WeakPolarHBondContact O-CA 3.32Å; V56-C59 HydrophobicContact CB-CB 4.4Å; V56-C59 HydrophobicContact CG1-CB 3.51Å; C59-C61 PolarHBondContact O-N 2.89Å
60L95.7Very high87.9Confident97 Ų9759.7 Ų59.751%0.50834%0.342SS..EExtended strand (participates in β ladder)trans-80.5107.2172.5176.963.6000110.5T31 K32 V33 V62T31-L60 PolarHBondContact O-N 3.39Å; K32-L60 CarbonylContact C-O 3.41Å; K32-L60 VanDerWaalsContact CA-O 3.32Å; K32-L60 WeakPolarHBondContact CA-O 3.35Å; K32-L60 HydrophobicContact CD-CD2 4.17Å; K32-L60 HydrophobicContact CG-CB 4.24Å; K32-L60 HydrophobicContact CG-CD2 4.2Å; K32-L60 HydrophobicContact CG-CG 4.34Å; V33-L60 PolarHBondContact N-O 3.44Å; L60-V62 HydrophobicContact CD1-CG1 4.4Å; L60-V62 HydrophobicContact CD2-CG1 4.18Å; L60-V62 HydrophobicContact CG-CG1 3.95Å
61C96.1Very high87.1Confident8 Ų853.5 Ų53.55%0.05433%0.327CS..EExtended strand (participates in β ladder)trans-85.2125.4169.8-550000110.8V33 L35 N53 C59V33-C61 HydrophobicContact CG2-CB 4.11Å; V33-C61 VanDerWaalsContact CG2-SG 3.58Å; L35-C61 HydrophobicContact CD1-CB 4.14Å; L35-C61 HydrophobicContact CG-CB 4.41Å; N53-C61 VanDerWaalsContact OD1-CB 3.24Å; N53-C61 WeakPolarHBondContact OD1-CB 3.36Å; N53-C61 PolarHBondContact OD1-N 3.08Å; N53-C61 PolarHBondContact OD1-SG 3.46Å; C59-C61 PolarHBondContact O-N 2.89Å
62V94.7Very high86.7Confident24 Ų2451 Ų5115%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-119.6136.3175.7-610000110.5V33 G34 L35 L60 L64 I84V33-V62 WeakPolarHBondContact O-CG2 3.4Å; V33-V62 PolarHBondContact O-N 2.79Å; G34-V62 CarbonylContact C-O 3.52Å; G34-V62 WeakPolarHBondContact CA-O 3.32Å; L35-V62 PolarHBondContact N-O 3.2Å; L60-V62 HydrophobicContact CD1-CG1 4.4Å; L60-V62 HydrophobicContact CD2-CG1 4.18Å; L60-V62 HydrophobicContact CG-CG1 3.95Å; V62-L64 HydrophobicContact CG2-CD2 4.42Å; V62-I84 HydrophobicContact CG2-CG2 3.87Å
63I94.9Very high86.3Confident61 Ų6151.3 Ų51.331%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-82.7126173.5-60.7165.8000107.8L35 F37 V46 C49 G65L35-I63 HydrophobicContact CD1-CG1 4.46Å; F37-I63 HydrophobicContact CD2-CG2 4.18Å; F37-I63 HydrophobicContact CE2-CG1 4.44Å; F37-I63 HydrophobicContact CE2-CG2 4.44Å; V46-I63 HydrophobicContact CG2-CD1 4.23Å; C49-I63 HydrophobicContact CB-CD1 3.92Å; C49-I63 HydrophobicContact CB-CG1 4.04Å; I63-G65 PolarHBondContact O-N 2.93Å
64L92Very high86Confident14 Ų1449 Ų497%0.07331%0.305CS..EExtended strand (participates in β ladder)trans-79.9115.1174.6-58-177.9000108.5L35 Q36 V62 A78 M82 I84 L87L35-L64 PolarHBondContact O-N 3.46Å; Q36-L64 HydrophobicContact CB-CD1 4.38Å; V62-L64 HydrophobicContact CG2-CD2 4.42Å; L64-A78 HydrophobicContact CD1-CB 4.43Å; L64-M82 HydrophobicContact CD2-CG 4.31Å; L64-I84 HydrophobicContact CD1-CD1 4.35Å; L64-L87 HydrophobicContact CD1-CD1 3.68Å; L64-L87 HydrophobicContact CD1-CG 4.34Å
65G82Confident85.7Confident74 Ų7445.4 Ų45.476%0.76328%0.279SS*.  trans-98.3-1.1-177.500000115I63I63-G65 PolarHBondContact O-N 2.93Å
66D78.4Confident85.4Confident98 Ų9843 Ų4352%0.52427%0.267SS..SBendtrans-67.8144178.7-76-11.8000109.8S68 A78D66-S68 PolarHBondContact O-N 2.64Å; D66-A78 HydrophobicContact CB-CB 4Å; D66-A78 WeakPolarHBondContact OD2-CB 3.16Å
67S62Low85.1Confident107 Ų10745.1 Ų45.175%0.74828%0.278SS*.  trans-69.8104.7173.9640000108.9
68S62.9Low84.9Confident23 Ų2339.3 Ų39.316%0.16124%0.242CC..  trans-55.9141.7171.159.80000110.8D66 A70 S71D66-S68 PolarHBondContact O-N 2.64Å; S68-A70 PolarHBondContact O-N 2.75Å; S68-A70 PolarHBondContact OG-O 2.7Å; S68-S71 WeakPolarHBondContact OG-CA 3.48Å; S68-S71 PolarHBondContact OG-N 3.14Å
69F63.9Low84.8Confident54 Ų5433.8 Ų33.824%0.23721%0.213CC..SBendtrans-54.6-41.3177.5-70.4-100.9000111.6L324 G353F69-L324 HydrophobicContact CE1-CD1 4.17Å; F69-L324 HydrophobicContact CE1-CG 4.17Å; F69-L324 HydrophobicContact CE2-CB 4.46Å; F69-L324 HydrophobicContact CE2-CD1 3.55Å; F69-L324 HydrophobicContact CE2-CG 3.91Å; F69-L324 HydrophobicContact CZ-CD1 3.27Å; F69-L324 HydrophobicContact CZ-CG 3.67Å; F69-G353 VanDerWaalsContact CD1-CA 3.43Å
70A75.3Confident84.5Confident13 Ų1337.9 Ų37.911%0.10723%0.231CC..SBendtrans-140.7137.9166.700000107.6S68 C72 C73 T377S68-A70 PolarHBondContact O-N 2.75Å; S68-A70 PolarHBondContact OG-O 2.7Å; A70-C72 PolarHBondContact O-N 2.79Å; A70-C73 HydrophobicContact CB-CB 4.48Å; A70-C73 PolarHBondContact O-N 2.76Å; A70-T377 HydrophobicContact CB-CG2 3.76Å
71S79.7Confident84.2Confident50 Ų5039.8 Ų39.835%0.3524%0.237SC..THydrogen-bonded Turntrans-56.9-25-178.855.20000113.5S68 H89S68-S71 WeakPolarHBondContact OG-CA 3.48Å; S68-S71 PolarHBondContact OG-N 3.14Å; S71-H89 PolarHBondContact O-NE2 3.15Å; S71-H89 VanDerWaalsContact O-NE2 3.15Å
72C85Confident84Confident6 Ų643.5 Ų43.54%0.04126%0.255CS..THydrogen-bonded Turntrans-84.3-14.2178.266.70000115.8A70 R92 A93 C94A70-C72 PolarHBondContact O-N 2.79Å; C72-R92 WeakPolarHBondContact CA-O 3.25Å; C72-R92 WeakPolarHBondContact CB-O 3.39Å; C72-A93 CarbonylContact O-C 3.5Å; C72-A93 WeakPolarHBondContact O-CA 3.27Å; C72-C94 HydrophobicContact CB-CB 4.15Å; C72-C94 PolarHBondContact O-N 3.24Å; C72-C94 PolarHBondContact O-SG 3.49Å; C72-C94 VanDerWaalsContact O-SG 3.41Å
73C87.7Confident83.9Confident7 Ų750.6 Ų50.65%0.04728%0.284CS..SBendtrans-86.9142.4178-71.30000110.4Q36 A70Q36-C73 PolarHBondContact NE2-O 3.27Å; A70-C73 HydrophobicContact CB-CB 4.48Å; A70-C73 PolarHBondContact O-N 2.76Å
74V89.2Confident84Confident6 Ų648.1 Ų48.14%0.03627%0.271CS..  trans-68.8131.8171.7174.60000109.7E76 L87 T98 V104 Y106 S325V74-E76 HydrophobicContact CG1-CG 4.06Å; V74-E76 PolarHBondContact O-N 3.02Å; V74-L87 HydrophobicContact CG1-CD1 3.94Å; V74-L87 HydrophobicContact CG1-CD2 3.94Å; V74-L87 HydrophobicContact CG1-CG 4.48Å; V74-T98 HydrophobicContact CB-CG2 3.99Å; V74-T98 HydrophobicContact CG1-CG2 4.45Å; V74-T98 HydrophobicContact CG2-CG2 3.96Å; V74-V104 HydrophobicContact CG1-CG2 3.85Å; V74-V104 HydrophobicContact CG2-CG1 3.92Å; V74-V104 HydrophobicContact CG2-CG2 4.25Å; V74-Y106 HydrophobicContact CG2-CE1 3.89Å; V74-Y106 WeakPolarHBondContact CG2-OH 3.45Å; V74-S325 WeakPolarHBondContact O-CB 3.23Å; V74-S325 PolarHBondContact O-OG 3.14Å
75D89.1Confident84.2Confident13 Ų1350.6 Ų50.67%0.0729%0.285CS..  trans-94.281.5176.6-161.2-21.7000112.1I77 A78 G79 L87D75-I77 VanDerWaalsContact C-N 3.25Å; D75-I77 PolarHBondContact O-N 3.4Å; D75-I77 PolarHBondContact OD1-N 2.84Å; D75-A78 HydrophobicContact CB-CB 4.22Å; D75-A78 VanDerWaalsContact CG-CB 3.47Å; D75-A78 WeakPolarHBondContact OD1-CB 3.25Å; D75-A78 PolarHBondContact OD1-N 3.01Å; D75-G79 PolarHBondContact O-N 3.24Å; D75-L87 WeakPolarHBondContact O-CD1 3.5Å
76E88.7Confident84.8Confident0 Ų047.1 Ų47.10%025%0.248CC..Hα-helixtrans-67-27.9176.4-65.9-175.5141.200112.3V74 G79 Q80 T99 G100 R101V74-E76 HydrophobicContact CG1-CG 4.06Å; V74-E76 PolarHBondContact O-N 3.02Å; E76-G79 PolarHBondContact O-N 2.99Å; E76-Q80 VanDerWaalsContact O-CG 3.31Å; E76-Q80 WeakPolarHBondContact O-CG 3.49Å; E76-Q80 PolarHBondContact O-N 3.48Å; E76-T99 VanDerWaalsContact CD-OG1 3.3Å; E76-T99 PolarHBondContact OE1-OG1 3.3Å; E76-T99 PolarHBondContact OE2-OG1 3.28Å; E76-G100 PolarHBondContact OE1-N 2.59Å; E76-R101 PolarHBondContact OE1-N 3.28Å; E76-R101 IonicContact OE2-NH1 3.29Å; E76-R101 PolarHBondContact OE2-NH1 3.1Å
77I87.7Confident85.6Confident46 Ų4642.4 Ų42.424%0.23622%0.223CC..Hα-helixtrans-72.4-48.6-175.5-59-59.2000110.5D75 G79 Q80 H81 L324D75-I77 VanDerWaalsContact C-N 3.25Å; D75-I77 PolarHBondContact O-N 3.4Å; D75-I77 PolarHBondContact OD1-N 2.84Å; I77-G79 PolarHBondContact O-N 3.34Å; I77-Q80 WeakPolarHBondContact O-CB 3.16Å; I77-Q80 PolarHBondContact O-N 2.87Å; I77-Q80 VanDerWaalsContact O-N 3.1Å; I77-H81 PolarHBondContact O-N 2.96Å; I77-L324 HydrophobicContact CG1-CB 4.16Å; I77-L324 HydrophobicContact CG1-CD1 4.07Å
78A89.1Confident87.2Confident2 Ų237.3 Ų37.32%0.01719%0.188CC..Hα-helixtrans-58.5-40.8172.800000111L64 D66 D75 Q80 H81 M82L64-A78 HydrophobicContact CD1-CB 4.43Å; D66-A78 HydrophobicContact CB-CB 4Å; D66-A78 WeakPolarHBondContact OD2-CB 3.16Å; D75-A78 HydrophobicContact CB-CB 4.22Å; D75-A78 VanDerWaalsContact CG-CB 3.47Å; D75-A78 WeakPolarHBondContact OD1-CB 3.25Å; D75-A78 PolarHBondContact OD1-N 3.01Å; A78-Q80 VanDerWaalsContact C-N 3.34Å; A78-Q80 PolarHBondContact O-N 2.96Å; A78-H81 PolarHBondContact O-N 3.39Å; A78-M82 WeakPolarHBondContact O-CG 3.42Å; A78-M82 PolarHBondContact O-N 2.73Å; A78-M82 VanDerWaalsContact O-N 3.08Å
79G90.6Very high88.7Confident0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-58.5-42.9173.700000113.3D75 E76 I77 M82 K83 I84D75-G79 PolarHBondContact O-N 3.24Å; E76-G79 PolarHBondContact O-N 2.99Å; I77-G79 PolarHBondContact O-N 3.34Å; G79-M82 CarbonylContact O-C 3.49Å; G79-M82 PolarHBondContact O-N 2.95Å; G79-K83 PolarHBondContact O-N 3.28Å; G79-I84 PolarHBondContact O-N 3.46Å; G79-I84 VanDerWaalsContact O-N 3.08Å
80Q89.5Confident90.1Very high92 Ų9233.8 Ų33.843%0.4317%0.169SC..Hα-helixtrans-65.9-44.8176.9-77.6-177.1-40.100112.7E76 I77 A78 M82 K83E76-Q80 VanDerWaalsContact O-CG 3.31Å; E76-Q80 WeakPolarHBondContact O-CG 3.49Å; E76-Q80 PolarHBondContact O-N 3.48Å; I77-Q80 WeakPolarHBondContact O-CB 3.16Å; I77-Q80 PolarHBondContact O-N 2.87Å; I77-Q80 VanDerWaalsContact O-N 3.1Å; A78-Q80 VanDerWaalsContact C-N 3.34Å; A78-Q80 PolarHBondContact O-N 2.96Å; Q80-M82 PolarHBondContact O-N 3.35Å; Q80-K83 PolarHBondContact O-N 3.34Å
81H90.2Very high90.7Very high137 Ų13733.4 Ų33.463%0.63417%0.167SC*.Hα-helixtrans-57.3-37175.1-66.2158000111.5I77 A78I77-H81 PolarHBondContact O-N 2.96Å; A78-H81 PolarHBondContact O-N 3.39Å
82M91.7Very high90.9Very high87 Ų8733 Ų3343%0.42916%0.158SC..THydrogen-bonded Turntrans-87.4-1.9177.7-65.6-57.5-73.600114.3K32 L64 A78 G79 Q80 I84K32-M82 VanDerWaalsContact CE-O 3.29Å; K32-M82 WeakPolarHBondContact CE-O 3.2Å; K32-M82 PolarHBondContact NZ-O 3.25Å; L64-M82 HydrophobicContact CD2-CG 4.31Å; A78-M82 WeakPolarHBondContact O-CG 3.42Å; A78-M82 PolarHBondContact O-N 2.73Å; A78-M82 VanDerWaalsContact O-N 3.08Å; G79-M82 CarbonylContact O-C 3.49Å; G79-M82 PolarHBondContact O-N 2.95Å; Q80-M82 PolarHBondContact O-N 3.35Å; M82-I84 VanDerWaalsContact C-N 3.25Å; M82-I84 HydrophobicContact CB-CG2 3.95Å; M82-I84 PolarHBondContact O-N 3.44Å
83K93.7Very high91Very high173 Ų17332.8 Ų32.875%0.75216%0.156SC*.THydrogen-bonded Turntrans49.643.3-177.4-56.6-178.9-179.4-179.90112.8G79 Q80G79-K83 PolarHBondContact O-N 3.28Å; Q80-K83 PolarHBondContact O-N 3.34Å
84I95.8Very high90.7Very high9 Ų932.7 Ų32.75%0.04616%0.156CC..  trans-73.7153.3174.970.5-175.7000110.2K32 V62 L64 G79 M82 A86 L87 L102K32-I84 HydrophobicContact CD-CG2 4.4Å; K32-I84 HydrophobicContact CG-CG2 4.23Å; V62-I84 HydrophobicContact CG2-CG2 3.87Å; L64-I84 HydrophobicContact CD1-CD1 4.35Å; G79-I84 PolarHBondContact O-N 3.46Å; G79-I84 VanDerWaalsContact O-N 3.08Å; M82-I84 VanDerWaalsContact C-N 3.25Å; M82-I84 HydrophobicContact CB-CG2 3.95Å; M82-I84 PolarHBondContact O-N 3.44Å; I84-A86 WeakPolarHBondContact CD1-O 3.26Å; I84-L87 HydrophobicContact CD1-CB 4.01Å; I84-L87 HydrophobicContact CD1-CD1 4.27Å; I84-L87 HydrophobicContact CD1-CG 4.42Å; I84-L102 HydrophobicContact CD1-CD1 3.92Å; I84-L102 HydrophobicContact CG1-CD1 3.82Å; I84-L102 HydrophobicContact CG1-CD2 4.15Å; I84-L102 VanDerWaalsContact O-CD2 3.23Å; I84-L102 WeakPolarHBondContact O-CD2 3.28Å
85N95.5Very high90.5Very high66 Ų6632.5 Ų32.535%0.35315%0.154SC..SBendtrans-92.9-20.7177.6-50.2114.4000112.7F30 T31 K32 P103F30-N85 HydrophobicContact CB-CB 4.49Å; F30-N85 HydrophobicContact CD1-CB 4.03Å; T31-N85 PolarHBondContact N-OD1 2.94Å; T31-N85 PolarHBondContact OG1-OD1 2.94Å; K32-N85 PolarHBondContact N-OD1 2.95Å; K32-N85 PolarHBondContact O-N 3.26Å; K32-N85 PolarHBondContact O-OD1 3.36Å; N85-P103 VanDerWaalsContact O-CD 3.28Å; N85-P103 WeakPolarHBondContact O-CD 3.07Å
86A96Very high90.2Very high0 Ų032 Ų320%015%0.152CC..EExtended strand (participates in β ladder)trans-157.3157.7177.600000110.3W24 F30 V33 G34 I84 P103W24-A86 HydrophobicContact CH2-CB 3.76Å; W24-A86 HydrophobicContact CZ3-CB 4.01Å; F30-A86 HydrophobicContact CD1-CB 3.89Å; F30-A86 HydrophobicContact CD2-CB 3.64Å; F30-A86 HydrophobicContact CE1-CB 3.83Å; F30-A86 HydrophobicContact CE2-CB 3.59Å; F30-A86 HydrophobicContact CG-CB 3.81Å; F30-A86 HydrophobicContact CZ-CB 3.68Å; V33-A86 WeakPolarHBondContact CA-O 3.33Å; V33-A86 HydrophobicContact CG1-CB 4.18Å; G34-A86 PolarHBondContact N-O 3.43Å; I84-A86 WeakPolarHBondContact CD1-O 3.26Å; A86-P103 WeakPolarHBondContact CA-O 3.37Å; A86-P103 HydrophobicContact CB-CB 4.24Å
87L95.2Very high89.8Confident0 Ų035.2 Ų35.20%017%0.167CC..EExtended strand (participates in β ladder)trans-121130.2180-174.3151.2000110.2G34 Q36 L64 V74 D75 I84 H89 P103 V104 Y105G34-L87 CarbonylContact O-C 3.53Å; G34-L87 WeakPolarHBondContact O-CA 3.36Å; Q36-L87 HydrophobicContact CB-CD2 4.13Å; Q36-L87 HydrophobicContact CB-CG 4.49Å; L64-L87 HydrophobicContact CD1-CD1 3.68Å; L64-L87 HydrophobicContact CD1-CG 4.34Å; V74-L87 HydrophobicContact CG1-CD1 3.94Å; V74-L87 HydrophobicContact CG1-CD2 3.94Å; V74-L87 HydrophobicContact CG1-CG 4.48Å; D75-L87 WeakPolarHBondContact O-CD1 3.5Å; I84-L87 HydrophobicContact CD1-CB 4.01Å; I84-L87 HydrophobicContact CD1-CD1 4.27Å; I84-L87 HydrophobicContact CD1-CG 4.42Å; L87-H89 HydrophobicContact CD2-CB 3.85Å; L87-P103 PolarHBondContact N-O 2.76Å; L87-V104 HydrophobicContact CD2-CG1 4.12Å; L87-V104 CarbonylContact O-C 3.45Å; L87-V104 VanDerWaalsContact O-CA 3.28Å; L87-V104 WeakPolarHBondContact O-CA 3.4Å; L87-Y105 PolarHBondContact O-N 3.44Å
88I96Very high89.7Confident0 Ų034.2 Ų34.20%016%0.163CC..EExtended strand (participates in β ladder)trans-100.7116.9169.8-59.472.6000107.1T21 W24 I25 V33 G34 L35 Q36 Y90 Y105 V107T21-I88 HydrophobicContact CG2-CG1 3.81Å; T21-I88 HydrophobicContact CG2-CG2 4.06Å; W24-I88 HydrophobicContact CZ3-CD1 4.22Å; W24-I88 HydrophobicContact CZ3-CG1 4.37Å; I25-I88 HydrophobicContact CD1-CD1 4.38Å; V33-I88 HydrophobicContact CB-CD1 3.54Å; V33-I88 HydrophobicContact CG1-CD1 4.09Å; V33-I88 HydrophobicContact CG2-CD1 3.8Å; G34-I88 PolarHBondContact O-N 3.44Å; L35-I88 HydrophobicContact CD2-CB 3.91Å; L35-I88 HydrophobicContact CD2-CD1 3.89Å; L35-I88 HydrophobicContact CD2-CG1 4.09Å; Q36-I88 PolarHBondContact N-O 2.84Å; I88-Y90 HydrophobicContact CB-CE2 4.01Å; I88-Y90 HydrophobicContact CG2-CD2 3.93Å; I88-Y90 HydrophobicContact CG2-CE1 4.36Å; I88-Y90 HydrophobicContact CG2-CE2 3.32Å; I88-Y105 CarbonylContact C-O 3.11Å; I88-Y105 WeakPolarHBondContact CA-O 3.31Å; I88-Y105 HydrophobicContact CG2-CD1 4.28Å; I88-V107 HydrophobicContact CG2-CG2 3.96Å
89H93.7Very high89.4Confident2 Ų235.9 Ų35.91%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-99.2114.7179.2-176.3-66.8000109.2Q36 S71 L87 R92 V104 Y105 Y106 V107Q36-H89 PolarHBondContact OE1-CD2 2.97Å; S71-H89 PolarHBondContact O-NE2 3.15Å; S71-H89 VanDerWaalsContact O-NE2 3.15Å; L87-H89 HydrophobicContact CD2-CB 3.85Å; H89-R92 PolarHBondContact CE1-O 2.83Å; H89-V104 HydrophobicContact CB-CG1 4.24Å; H89-Y105 PolarHBondContact N-O 3.27Å; H89-Y106 HydrophobicContact CB-CD1 3.78Å; H89-Y106 HydrophobicContact CB-CE1 4.02Å; H89-V107 PolarHBondContact O-N 3.04Å
90Y93.2Very high89Confident0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-94143.9177.4-71.8-87000111.7F16 L35 Q36 F37 P38 I48 L52 I88 V107F16-Y90 HydrophobicContact CB-CD1 4.4Å; F16-Y90 HydrophobicContact CB-CE1 4.14Å; F16-Y90 HydrophobicContact CD1-CD1 4.05Å; L35-Y90 HydrophobicContact CB-CE2 4.3Å; L35-Y90 HydrophobicContact CD2-CE2 4.2Å; Q36-Y90 WeakPolarHBondContact O-CB 3.48Å; Q36-Y90 PolarHBondContact O-N 3.02Å; F37-Y90 AromaticContact CD1-CD2 3.84Å; F37-Y90 HydrophobicContact CD1-CD2 3.84Å; F37-Y90 AromaticContact CD1-CG 3.76Å; F37-Y90 HydrophobicContact CD1-CG 3.76Å; F37-Y90 HydrophobicContact CD2-CD2 4.5Å; F37-Y90 AromaticContact CE1-CD1 3.95Å; F37-Y90 HydrophobicContact CE1-CD1 3.95Å; F37-Y90 AromaticContact CE1-CD2 3.26Å; F37-Y90 HydrophobicContact CE1-CD2 3.26Å; F37-Y90 HydrophobicContact CE1-CE1 4.44Å; F37-Y90 AromaticContact CE1-CE2 3.82Å; F37-Y90 HydrophobicContact CE1-CE2 3.82Å; F37-Y90 AromaticContact CE1-CG 3.34Å; F37-Y90 HydrophobicContact CE1-CG 3.34Å; F37-Y90 HydrophobicContact CE2-CD2 4.04Å; F37-Y90 HydrophobicContact CE2-CE2 4.32Å; F37-Y90 HydrophobicContact CG-CD2 4.42Å; F37-Y90 AromaticContact CZ-CD2 3.38Å; F37-Y90 HydrophobicContact CZ-CD2 3.38Å; F37-Y90 AromaticContact CZ-CE2 3.56Å; F37-Y90 HydrophobicContact CZ-CE2 3.56Å; F37-Y90 AromaticContact CZ-CG 3.97Å; F37-Y90 HydrophobicContact CZ-CG 3.97Å; P38-Y90 WeakPolarHBondContact CD-O 3.47Å; I48-Y90 HydrophobicContact CD1-CE1 4.42Å; I48-Y90 HydrophobicContact CG2-CE1 4.01Å; I48-Y90 HydrophobicContact CG2-CE2 4.25Å; I48-Y90 WeakPolarHBondContact CG2-OH 3.36Å; L52-Y90 WeakPolarHBondContact CD1-OH 3.24Å; I88-Y90 HydrophobicContact CB-CE2 4.01Å; I88-Y90 HydrophobicContact CG2-CD2 3.93Å; I88-Y90 HydrophobicContact CG2-CE1 4.36Å; I88-Y90 HydrophobicContact CG2-CE2 3.32Å; Y90-V107 CarbonylContact C-O 3.58Å; Y90-V107 WeakPolarHBondContact CA-O 3.38Å; Y90-V107 HydrophobicContact CD1-CB 3.64Å; Y90-V107 HydrophobicContact CD1-CG1 3.72Å; Y90-V107 HydrophobicContact CD1-CG2 4.32Å; Y90-V107 HydrophobicContact CE1-CB 3.74Å; Y90-V107 HydrophobicContact CE1-CG1 3.7Å; Y90-V107 HydrophobicContact CE1-CG2 3.95Å; Y90-V107 HydrophobicContact CG-CB 4.41Å
91G88.3Confident88.9Confident6 Ų639.8 Ų39.86%0.06220%0.201CC..SBendtrans81.3-149.4175.600000113.6A93 V107 F108G91-A93 PolarHBondContact O-N 3.49Å; G91-V107 PolarHBondContact N-O 3.33Å; G91-F108 WeakPolarHBondContact O-CD1 3.32Å
92R84.1Confident88.9Confident42 Ų4234 Ų3416%0.15817%0.174CC..  trans-69.7114.9-172.7-80-171.285.8151.8-3.9110.5C72 H89 D154 R227 D261 S264C72-R92 WeakPolarHBondContact CA-O 3.25Å; C72-R92 WeakPolarHBondContact CB-O 3.39Å; H89-R92 PolarHBondContact CE1-O 2.83Å; R92-D154 IonicContact NH1-OD2 2.89Å; R92-R227 VanDerWaalsContact NE-NH2 3.12Å; R92-D261 IonicContact CZ-OD1 2.91Å; R92-D261 IonicContact NH1-OD1 3.76Å; R92-D261 PolarHBondContact NH1-OD1 3.22Å; R92-S264 PolarHBondContact NH2-OG 3.03Å
93A85.6Confident89Confident0 Ų032.7 Ų32.70%017%0.173CC..  trans-108.5151.8171.300000113C72 G91 L95 Y106 F108 R227C72-A93 CarbonylContact O-C 3.5Å; C72-A93 WeakPolarHBondContact O-CA 3.27Å; G91-A93 PolarHBondContact O-N 3.49Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 HydrophobicContact CB-CD2 4.02Å; A93-L95 HydrophobicContact CB-CG 4.44Å; A93-Y106 HydrophobicContact CB-CD1 3.46Å; A93-Y106 VanDerWaalsContact CB-CD1 3.46Å; A93-Y106 HydrophobicContact CB-CE1 3.48Å; A93-Y106 VanDerWaalsContact CB-CE1 3.48Å; A93-F108 HydrophobicContact CB-CE1 4.07Å; A93-R227 WeakPolarHBondContact O-CD 3Å; A93-R227 WeakPolarHBondContact O-CG 3.28Å; A93-R227 PolarHBondContact O-NE 3.43Å; A93-R227 PolarHBondContact O-NH1 3.01Å
94C82.5Confident88.9Confident6 Ų626 Ų264%0.04115%0.146CC..  trans-80.8-13176.167.70000113.9C72 S96 C374 E376C72-C94 HydrophobicContact CB-CB 4.15Å; C72-C94 PolarHBondContact O-N 3.24Å; C72-C94 PolarHBondContact O-SG 3.49Å; C72-C94 VanDerWaalsContact O-SG 3.41Å; C94-S96 PolarHBondContact O-N 2.77Å; C94-S96 PolarHBondContact SG-OG 2.69Å; C94-S96 VanDerWaalsContact SG-OG 3.4Å; C94-C374 HydrophobicContact CB-CB 3.9Å; C94-E376 HydrophobicContact CB-CB 4.12Å; C94-E376 HydrophobicContact CB-CG 3.81Å
95L84.5Confident88.8Confident1 Ų128 Ų281%0.00515%0.153CC..  trans50.925.5-178.8-54.6176.1000113.8A93 Y106 F108 F155 P202 Y203 H205 R227A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 HydrophobicContact CB-CD2 4.02Å; A93-L95 HydrophobicContact CB-CG 4.44Å; L95-Y106 HydrophobicContact CD2-CD1 4.01Å; L95-Y106 HydrophobicContact CD2-CD2 3.87Å; L95-Y106 HydrophobicContact CD2-CE1 3.96Å; L95-Y106 HydrophobicContact CD2-CE2 3.8Å; L95-Y106 HydrophobicContact CD2-CG 3.97Å; L95-F108 HydrophobicContact CD1-CE1 4.32Å; L95-F108 HydrophobicContact CD1-CZ 3.97Å; L95-F108 HydrophobicContact CD2-CE1 4.09Å; L95-F108 HydrophobicContact CD2-CZ 3.83Å; L95-F108 HydrophobicContact CG-CE1 4.47Å; L95-F108 HydrophobicContact CG-CZ 4.38Å; L95-F155 HydrophobicContact CD1-CE2 3.96Å; L95-F155 HydrophobicContact CD1-CZ 4.05Å; L95-P202 HydrophobicContact CD1-CB 3.97Å; L95-Y203 WeakPolarHBondContact CD1-O 3.44Å; L95-H205 PolarHBondContact O-NE2 2.98Å; L95-R227 HydrophobicContact CD1-CB 4.19Å
96S82.7Confident88.7Confident2 Ų226.8 Ų26.81%0.01414%0.144CC..  trans-69.5147.2172.2-590000109.7C94 T98 R224 P375C94-S96 PolarHBondContact O-N 2.77Å; C94-S96 PolarHBondContact SG-OG 2.69Å; C94-S96 VanDerWaalsContact SG-OG 3.4Å; S96-T98 PolarHBondContact O-N 3.27Å; S96-R224 VanDerWaalsContact CA-NH2 3.35Å; S96-R224 PolarHBondContact OG-NH2 2.95Å; S96-P375 VanDerWaalsContact OG-CD 3.29Å; S96-P375 WeakPolarHBondContact OG-CD 3.42Å
97E81.3Confident88.5Confident69 Ų6926.8 Ų26.832%0.32214%0.144SC..  trans-60.5115.4178.1-158177.4166.800109.5H205 I326 K327E97-H205 WeakPolarHBondContact CA-CE1 2.9Å; E97-H205 VanDerWaalsContact CA-NE2 3.28Å; E97-H205 WeakPolarHBondContact CA-NE2 3.47Å; E97-H205 WeakPolarHBondContact CB-CE1 2.89Å; E97-H205 VanDerWaalsContact CG-CE1 3.43Å; E97-H205 WeakPolarHBondContact CG-CE1 3.36Å; E97-H205 PolarHBondContact N-NE2 3.41Å; E97-I326 WeakPolarHBondContact O-CA 3Å; E97-K327 HydrophobicContact CB-CD 4.41Å; E97-K327 HydrophobicContact CG-CD 3.76Å; E97-K327 HydrophobicContact CG-CG 4.37Å; E97-K327 PolarHBondContact O-N 3.29Å; E97-K327 WeakPolarHBondContact OE1-CD 3.26Å; E97-K327 WeakPolarHBondContact OE1-CE 3.31Å; E97-K327 IonicContact OE1-NZ 3.04Å; E97-K327 PolarHBondContact OE1-NZ 3.32Å
98T83.7Confident88.3Confident25 Ų2528.3 Ų28.315%0.15315%0.15CC..BIsolated β-bridgetrans-78.8161.8176.364.90000109.5V74 S96 G100 S325 K327V74-T98 HydrophobicContact CB-CG2 3.99Å; V74-T98 HydrophobicContact CG1-CG2 4.45Å; V74-T98 HydrophobicContact CG2-CG2 3.96Å; S96-T98 PolarHBondContact O-N 3.27Å; T98-G100 PolarHBondContact O-N 3.37Å; T98-S325 CarbonylContact C-O 3.21Å; T98-S325 VanDerWaalsContact CA-O 3.26Å; T98-S325 WeakPolarHBondContact CA-O 3.3Å; T98-K327 WeakPolarHBondContact O-CE 3.29Å; T98-K327 WeakPolarHBondContact O-CG 3.37Å
99T82.7Confident87.9Confident37 Ų3728.5 Ų28.523%0.22715%0.152CC..  trans-63.7-10.5-179.9720000114.4E76 R101 S325 K327E76-T99 VanDerWaalsContact CD-OG1 3.3Å; E76-T99 PolarHBondContact OE1-OG1 3.3Å; E76-T99 PolarHBondContact OE2-OG1 3.28Å; T99-R101 VanDerWaalsContact OG1-CD 3.22Å; T99-R101 WeakPolarHBondContact OG1-CD 3.34Å; T99-R101 VanDerWaalsContact OG1-CG 3.23Å; T99-R101 WeakPolarHBondContact OG1-CG 3.28Å; T99-R101 PolarHBondContact OG1-NE 2.97Å; T99-R101 VanDerWaalsContact OG1-NE 3.16Å; T99-R101 PolarHBondContact OG1-NH1 2.88Å; T99-S325 PolarHBondContact N-O 3.33Å; T99-S325 VanDerWaalsContact N-O 3.12Å; T99-K327 HydrophobicContact CG2-CG 4.5Å
100G83.9Confident87.7Confident54 Ų5432 Ų3256%0.55717%0.168SC*.SBendtrans83.314.1176.600000113.3E76 T98 L102E76-G100 PolarHBondContact OE1-N 2.59Å; T98-G100 PolarHBondContact O-N 3.37Å; G100-L102 VanDerWaalsContact C-N 3.28Å; G100-L102 PolarHBondContact O-N 2.92Å
101R86.6Confident87.2Confident119 Ų11932.6 Ų32.645%0.44917%0.17SC..SBendtrans-70.5-26.2179.3-69167.9-166.6129.6-4.1112.6E76 T99E76-R101 PolarHBondContact OE1-N 3.28Å; E76-R101 IonicContact OE2-NH1 3.29Å; E76-R101 PolarHBondContact OE2-NH1 3.1Å; T99-R101 VanDerWaalsContact OG1-CD 3.22Å; T99-R101 WeakPolarHBondContact OG1-CD 3.34Å; T99-R101 VanDerWaalsContact OG1-CG 3.23Å; T99-R101 WeakPolarHBondContact OG1-CG 3.28Å; T99-R101 PolarHBondContact OG1-NE 2.97Å; T99-R101 VanDerWaalsContact OG1-NE 3.16Å; T99-R101 PolarHBondContact OG1-NH1 2.88Å
102L89.8Confident86.9Confident16 Ų1632.5 Ų32.58%0.08417%0.169CC..SBendtrans-134.6136.9178.7-67.4173.2000110.2I84 G100 V104I84-L102 HydrophobicContact CD1-CD1 3.92Å; I84-L102 HydrophobicContact CG1-CD1 3.82Å; I84-L102 HydrophobicContact CG1-CD2 4.15Å; I84-L102 VanDerWaalsContact O-CD2 3.23Å; I84-L102 WeakPolarHBondContact O-CD2 3.28Å; G100-L102 VanDerWaalsContact C-N 3.28Å; G100-L102 PolarHBondContact O-N 2.92Å; L102-V104 PolarHBondContact O-N 2.81Å
103P93.3Very high86.5Confident60 Ų6033.5 Ų33.539%0.3918%0.181SC..  trans-58.3131.8161.1-20.432.1000110.2W24 F30 N85 A86 L87W24-P103 HydrophobicContact CH2-CB 4.32Å; W24-P103 HydrophobicContact CZ2-CB 4.28Å; F30-P103 HydrophobicContact CE1-CB 4.46Å; F30-P103 HydrophobicContact CE1-CG 4.1Å; F30-P103 HydrophobicContact CZ-CB 3.95Å; F30-P103 HydrophobicContact CZ-CG 4.07Å; N85-P103 VanDerWaalsContact O-CD 3.28Å; N85-P103 WeakPolarHBondContact O-CD 3.07Å; A86-P103 WeakPolarHBondContact CA-O 3.37Å; A86-P103 HydrophobicContact CB-CB 4.24Å; L87-P103 PolarHBondContact N-O 2.76Å
104V92.4Very high86Confident31 Ų3137.7 Ų37.719%0.18821%0.209CC..EExtended strand (participates in β ladder)trans-117.1132.6179.6-174.70000110V74 L87 H89 L102 Y106V74-V104 HydrophobicContact CG1-CG2 3.85Å; V74-V104 HydrophobicContact CG2-CG1 3.92Å; V74-V104 HydrophobicContact CG2-CG2 4.25Å; L87-V104 HydrophobicContact CD2-CG1 4.12Å; L87-V104 CarbonylContact O-C 3.45Å; L87-V104 VanDerWaalsContact O-CA 3.28Å; L87-V104 WeakPolarHBondContact O-CA 3.4Å; H89-V104 HydrophobicContact CB-CG1 4.24Å; L102-V104 PolarHBondContact O-N 2.81Å; V104-Y106 HydrophobicContact CB-CE2 4.32Å; V104-Y106 HydrophobicContact CG1-CD1 4.24Å; V104-Y106 HydrophobicContact CG1-CD2 4.3Å; V104-Y106 HydrophobicContact CG1-CE1 3.79Å; V104-Y106 HydrophobicContact CG1-CE2 3.87Å; V104-Y106 HydrophobicContact CG1-CG 4.48Å
105Y94.1Very high85.7Confident51 Ų5140.3 Ų40.320%0.222%0.22CC..EExtended strand (participates in β ladder)trans-113.6124.2169.8-171.2-102.3000109.6T21 W24 L87 I88 H89 V107T21-Y105 HydrophobicContact CG2-CD1 4.23Å; T21-Y105 HydrophobicContact CG2-CE1 4.38Å; T21-Y105 WeakPolarHBondContact OG1-CE1 3.45Å; W24-Y105 HydrophobicContact CB-CD2 4.18Å; W24-Y105 HydrophobicContact CB-CE2 4.05Å; W24-Y105 AromaticContact CD1-CD2 3.63Å; W24-Y105 AromaticContact CD1-CE2 3.87Å; W24-Y105 AromaticContact CD2-CD2 3.62Å; W24-Y105 HydrophobicContact CD2-CD2 3.62Å; W24-Y105 HydrophobicContact CD2-CE2 4.38Å; W24-Y105 AromaticContact CD2-CG 3.83Å; W24-Y105 HydrophobicContact CD2-CG 3.83Å; W24-Y105 AromaticContact CE2-CD2 3.75Å; W24-Y105 HydrophobicContact CE3-CD2 4.23Å; W24-Y105 AromaticContact CE3-CG 3.96Å; W24-Y105 HydrophobicContact CE3-CG 3.96Å; W24-Y105 AromaticContact CG-CD2 3.57Å; W24-Y105 HydrophobicContact CG-CD2 3.57Å; W24-Y105 AromaticContact CG-CE2 3.85Å; W24-Y105 HydrophobicContact CG-CE2 3.85Å; W24-Y105 HydrophobicContact CG-CG 4.15Å; W24-Y105 HydrophobicContact CZ2-CD2 4.43Å; W24-Y105 HydrophobicContact CZ3-CG 4.35Å; W24-Y105 AromaticContact NE1-CD2 3.74Å; L87-Y105 PolarHBondContact O-N 3.44Å; I88-Y105 CarbonylContact C-O 3.11Å; I88-Y105 WeakPolarHBondContact CA-O 3.31Å; I88-Y105 HydrophobicContact CG2-CD1 4.28Å; H89-Y105 PolarHBondContact N-O 3.27Å; Y105-V107 HydrophobicContact CD1-CG2 3.7Å; Y105-V107 HydrophobicContact CE1-CG2 3.59Å
106Y92.5Very high85.5Confident42 Ų4242.1 Ų42.117%0.16523%0.23CC..EExtended strand (participates in β ladder)trans-97.1133-177.8-64.6-77.9000111.1V74 H89 A93 L95 V104 F108V74-Y106 HydrophobicContact CG2-CE1 3.89Å; V74-Y106 WeakPolarHBondContact CG2-OH 3.45Å; H89-Y106 HydrophobicContact CB-CD1 3.78Å; H89-Y106 HydrophobicContact CB-CE1 4.02Å; A93-Y106 HydrophobicContact CB-CD1 3.46Å; A93-Y106 VanDerWaalsContact CB-CD1 3.46Å; A93-Y106 HydrophobicContact CB-CE1 3.48Å; A93-Y106 VanDerWaalsContact CB-CE1 3.48Å; L95-Y106 HydrophobicContact CD2-CD1 4.01Å; L95-Y106 HydrophobicContact CD2-CD2 3.87Å; L95-Y106 HydrophobicContact CD2-CE1 3.96Å; L95-Y106 HydrophobicContact CD2-CE2 3.8Å; L95-Y106 HydrophobicContact CD2-CG 3.97Å; V104-Y106 HydrophobicContact CB-CE2 4.32Å; V104-Y106 HydrophobicContact CG1-CD1 4.24Å; V104-Y106 HydrophobicContact CG1-CD2 4.3Å; V104-Y106 HydrophobicContact CG1-CE1 3.79Å; V104-Y106 HydrophobicContact CG1-CE2 3.87Å; V104-Y106 HydrophobicContact CG1-CG 4.48Å; Y106-F108 HydrophobicContact CG-CZ 4.36Å
107V93.5Very high85.4Confident0 Ų048.5 Ų48.50%026%0.259CS..EExtended strand (participates in β ladder)trans-127.495.1174.9-177.80000108.7F16 E17 I88 H89 Y90 G91 Y105 G109F16-V107 HydrophobicContact CB-CG1 4.27Å; F16-V107 HydrophobicContact CD1-CG1 4.45Å; F16-V107 WeakPolarHBondContact O-CG1 3.49Å; E17-V107 HydrophobicContact CB-CG1 4.31Å; E17-V107 HydrophobicContact CG-CG1 4.41Å; I88-V107 HydrophobicContact CG2-CG2 3.96Å; H89-V107 PolarHBondContact O-N 3.04Å; Y90-V107 CarbonylContact C-O 3.58Å; Y90-V107 WeakPolarHBondContact CA-O 3.38Å; Y90-V107 HydrophobicContact CD1-CB 3.64Å; Y90-V107 HydrophobicContact CD1-CG1 3.72Å; Y90-V107 HydrophobicContact CD1-CG2 4.32Å; Y90-V107 HydrophobicContact CE1-CB 3.74Å; Y90-V107 HydrophobicContact CE1-CG1 3.7Å; Y90-V107 HydrophobicContact CE1-CG2 3.95Å; Y90-V107 HydrophobicContact CG-CB 4.41Å; G91-V107 PolarHBondContact N-O 3.33Å; Y105-V107 HydrophobicContact CD1-CG2 3.7Å; Y105-V107 HydrophobicContact CE1-CG2 3.59Å; V107-G109 VanDerWaalsContact C-N 3.28Å; V107-G109 PolarHBondContact O-N 2.82Å
108F89.7Confident85.5Confident31 Ų3151.3 Ų51.314%0.13628%0.276CS..  trans-74.3-17.7-173.3-56.6-72.3000114.5G91 A93 L95 Y106 F155G91-F108 WeakPolarHBondContact O-CD1 3.32Å; A93-F108 HydrophobicContact CB-CE1 4.07Å; L95-F108 HydrophobicContact CD1-CE1 4.32Å; L95-F108 HydrophobicContact CD1-CZ 3.97Å; L95-F108 HydrophobicContact CD2-CE1 4.09Å; L95-F108 HydrophobicContact CD2-CZ 3.83Å; L95-F108 HydrophobicContact CG-CE1 4.47Å; L95-F108 HydrophobicContact CG-CZ 4.38Å; Y106-F108 HydrophobicContact CG-CZ 4.36Å; F108-F155 HydrophobicContact CB-CB 3.77Å; F108-F155 HydrophobicContact CD1-CB 4.35Å; F108-F155 AromaticContact CD1-CD2 3.58Å; F108-F155 HydrophobicContact CD1-CD2 3.58Å; F108-F155 HydrophobicContact CD1-CE2 4.32Å; F108-F155 HydrophobicContact CD1-CG 4.3Å; F108-F155 HydrophobicContact CD2-CB 4.15Å; F108-F155 HydrophobicContact CD2-CD2 4.29Å; F108-F155 HydrophobicContact CD2-CG 4.32Å; F108-F155 AromaticContact CE1-CD2 3.67Å; F108-F155 HydrophobicContact CE1-CD2 3.67Å; F108-F155 AromaticContact CE1-CE2 3.95Å; F108-F155 HydrophobicContact CE1-CE2 3.95Å; F108-F155 HydrophobicContact CE2-CD2 4.38Å; F108-F155 HydrophobicContact CG-CB 3.84Å; F108-F155 AromaticContact CG-CD2 3.9Å; F108-F155 HydrophobicContact CG-CD2 3.9Å; F108-F155 HydrophobicContact CG-CG 4.15Å; F108-F155 HydrophobicContact CZ-CD2 4.08Å; F108-F155 HydrophobicContact CZ-CE2 4.22Å
109G88.8Confident85.6Confident4 Ų452.2 Ų52.24%0.04128%0.279CS..  trans85.6151.6-166.700000111.6V15 V107 R156V15-G109 CarbonylContact O-C 3.57Å; V15-G109 VanDerWaalsContact O-CA 3.3Å; V15-G109 WeakPolarHBondContact O-CA 3.25Å; V107-G109 VanDerWaalsContact C-N 3.28Å; V107-G109 PolarHBondContact O-N 2.82Å; G109-R156 WeakPolarHBondContact O-CA 3.29Å
110K88.6Confident85.7Confident77 Ų7753 Ų5334%0.33528%0.281SS..  trans-117.3145.7175.1-63171.1-179.1160.30109.6V15 E17 S112V15-K110 WeakPolarHBondContact CG1-O 3.23Å; V15-K110 PolarHBondContact O-N 2.92Å; E17-K110 HydrophobicContact CG-CD 4.36Å; E17-K110 VanDerWaalsContact CG-NZ 3.35Å; E17-K110 VanDerWaalsContact OE1-CE 3.26Å; E17-K110 WeakPolarHBondContact OE1-CE 3.21Å; E17-K110 IonicContact OE1-NZ 2.71Å; E17-K110 WeakPolarHBondContact OE2-CE 2.97Å; E17-K110 IonicContact OE2-NZ 3.74Å; E17-K110 PolarHBondContact OE2-NZ 3.12Å; K110-S112 PolarHBondContact O-N 2.95Å
111Y83.4Confident86Confident11 Ų1156.9 Ų56.94%0.04329%0.285CS..  trans-58.6137.5166.9-170.1-107000110P113 Q115 L116 E119 R156 F157 I160Y111-P113 WeakPolarHBondContact O-CD 3.33Å; Y111-Q115 HydrophobicContact CD1-CB 4.48Å; Y111-Q115 HydrophobicContact CE1-CB 3.58Å; Y111-Q115 VanDerWaalsContact CE2-OE1 3.29Å; Y111-Q115 WeakPolarHBondContact OH-CB 3.26Å; Y111-Q115 PolarHBondContact OH-OE1 3.11Å; Y111-Q115 VanDerWaalsContact OH-OE1 3.13Å; Y111-L116 HydrophobicContact CD1-CB 4.07Å; Y111-L116 HydrophobicContact CE1-CB 4.3Å; Y111-E119 VanDerWaalsContact OH-CD 3.32Å; Y111-E119 PolarHBondContact OH-OE1 2.99Å; Y111-E119 PolarHBondContact OH-OE2 3.26Å; Y111-R156 WeakPolarHBondContact CB-O 3.35Å; Y111-R156 PolarHBondContact N-O 2.89Å; Y111-F157 AromaticContact CD2-CD1 3.88Å; Y111-F157 HydrophobicContact CD2-CD1 3.88Å; Y111-F157 AromaticContact CD2-CE1 3.63Å; Y111-F157 HydrophobicContact CD2-CE1 3.63Å; Y111-F157 HydrophobicContact CE2-CE1 4.14Å; Y111-F157 HydrophobicContact CG-CD1 4.19Å; Y111-F157 HydrophobicContact CG-CE1 4.39Å; Y111-I160 HydrophobicContact CD1-CD1 3.75Å; Y111-I160 HydrophobicContact CD1-CG1 4.36Å; Y111-I160 HydrophobicContact CD2-CD1 4.43Å; Y111-I160 HydrophobicContact CE1-CD1 4.09Å; Y111-I160 HydrophobicContact CG-CD1 3.91Å
112S80.6Confident86.1Confident5 Ų553.3 Ų53.34%0.03528%0.278CS..  trans-56.1124.7-174.1-176.40000111.1E3 D11 K110 C114 Q115 L116E3-S112 WeakPolarHBondContact OE1-CB 3.34Å; D11-S112 WeakPolarHBondContact OD2-CB 3.26Å; D11-S112 PolarHBondContact OD2-OG 3.33Å; K110-S112 PolarHBondContact O-N 2.95Å; S112-C114 PolarHBondContact O-N 3.26Å; S112-Q115 PolarHBondContact O-N 3.39Å; S112-Q115 VanDerWaalsContact O-N 3.12Å; S112-L116 PolarHBondContact O-N 2.97Å
113P76.3Confident86.1Confident63 Ų6352.5 Ų52.541%0.40927%0.274SS..Hα-helixtrans-58.1-32.1177-2634.7000113.3I14 Y111 H117I14-P113 HydrophobicContact CG2-CG 4.26Å; Y111-P113 WeakPolarHBondContact O-CD 3.33Å; P113-H117 PolarHBondContact O-N 2.76Å; P113-H117 VanDerWaalsContact O-N 3.11Å
114C75.3Confident85.9Confident87 Ų8753.8 Ų53.859%0.58827%0.273SS*.Hα-helixtrans-65.7-43.4177.4-64.40000111.4S112 H117 N118S112-C114 PolarHBondContact O-N 3.26Å; C114-H117 PolarHBondContact O-N 3.4Å; C114-N118 PolarHBondContact O-N 3.48Å; C114-N118 PolarHBondContact O-ND2 3.32Å
115Q76.5Confident85.9Confident61 Ų6158.4 Ų58.429%0.28529%0.293SS..Hα-helixtrans-70.7-41.7176.7-66.5176.61.300111.5E3 Y111 S112 H117 N118 E119E3-Q115 VanDerWaalsContact CD-OE1 3.29Å; E3-Q115 PolarHBondContact OE1-NE2 2.83Å; E3-Q115 PolarHBondContact OE1-OE1 2.9Å; Y111-Q115 HydrophobicContact CD1-CB 4.48Å; Y111-Q115 HydrophobicContact CE1-CB 3.58Å; Y111-Q115 VanDerWaalsContact CE2-OE1 3.29Å; Y111-Q115 WeakPolarHBondContact OH-CB 3.26Å; Y111-Q115 PolarHBondContact OH-OE1 3.11Å; Y111-Q115 VanDerWaalsContact OH-OE1 3.13Å; S112-Q115 PolarHBondContact O-N 3.39Å; S112-Q115 VanDerWaalsContact O-N 3.12Å; Q115-H117 PolarHBondContact O-N 3.19Å; Q115-N118 PolarHBondContact O-N 3.08Å; Q115-E119 PolarHBondContact O-N 3.22Å; Q115-E119 VanDerWaalsContact O-N 3.09Å
116L79.5Confident85.8Confident39 Ų3956.3 Ų56.320%0.20429%0.285CS..Hα-helixtrans-50.5-44.4174.7-177.363.3000110.8Y111 S112 E119 I120 F123 A159 I160Y111-L116 HydrophobicContact CD1-CB 4.07Å; Y111-L116 HydrophobicContact CE1-CB 4.3Å; S112-L116 PolarHBondContact O-N 2.97Å; L116-E119 PolarHBondContact O-N 2.7Å; L116-I120 WeakPolarHBondContact O-CG1 3.46Å; L116-I120 PolarHBondContact O-N 3.1Å; L116-F123 HydrophobicContact CD1-CD2 4.24Å; L116-F123 HydrophobicContact CD1-CE2 3.8Å; L116-A159 HydrophobicContact CD2-CB 4.16Å; L116-I160 HydrophobicContact CD1-CD1 4.5Å; L116-I160 HydrophobicContact CD1-CG1 3.69Å
117H80.1Confident85.7Confident137 Ų13754.3 Ų54.363%0.63428%0.277SS*.Hα-helixtrans-64.6-40.7178.3-172.767.5000113.5P113 C114 Q115 E119 I120P113-H117 PolarHBondContact O-N 2.76Å; P113-H117 VanDerWaalsContact O-N 3.11Å; C114-H117 PolarHBondContact O-N 3.4Å; Q115-H117 PolarHBondContact O-N 3.19Å; H117-E119 VanDerWaalsContact C-N 3.27Å; H117-E119 PolarHBondContact O-N 2.8Å; H117-I120 WeakPolarHBondContact O-CG1 3.31Å
118N83.6Confident85.6Confident127 Ų12758.5 Ų58.568%0.67930%0.296SS*.Hα-helixtrans-68.5-28.2-178.9-66.3-19.5000112.3C114 Q115C114-N118 PolarHBondContact O-N 3.48Å; C114-N118 PolarHBondContact O-ND2 3.32Å; Q115-N118 PolarHBondContact O-N 3.08Å
119E85.7Confident85.6Confident44 Ų4461.9 Ų61.921%0.20631%0.313CS..Hα-helixtrans-103.71.3-172.1-65176.9-173.400114.1Y111 Q115 L116 H117 Q121 S122 F123Y111-E119 VanDerWaalsContact OH-CD 3.32Å; Y111-E119 PolarHBondContact OH-OE1 2.99Å; Y111-E119 PolarHBondContact OH-OE2 3.26Å; Q115-E119 PolarHBondContact O-N 3.22Å; Q115-E119 VanDerWaalsContact O-N 3.09Å; L116-E119 PolarHBondContact O-N 2.7Å; H117-E119 VanDerWaalsContact C-N 3.27Å; H117-E119 PolarHBondContact O-N 2.8Å; E119-Q121 PolarHBondContact O-N 2.97Å; E119-Q121 VanDerWaalsContact O-N 3.11Å; E119-S122 WeakPolarHBondContact O-CA 3.41Å; E119-S122 WeakPolarHBondContact O-CB 3.35Å; E119-S122 PolarHBondContact O-N 3.31Å; E119-F123 HydrophobicContact CB-CD2 4.31Å; E119-F123 HydrophobicContact CB-CE1 4.25Å; E119-F123 HydrophobicContact CB-CE2 3.62Å; E119-F123 HydrophobicContact CB-CZ 3.59Å; E119-F123 WeakPolarHBondContact O-CD2 3.47Å; E119-F123 PolarHBondContact O-N 2.93Å; E119-F123 VanDerWaalsContact OE2-CZ 3.29Å; E119-F123 WeakPolarHBondContact OE2-CZ 3.05Å
120I86.2Confident85.7Confident53 Ų5361.7 Ų61.727%0.27231%0.311SS..Hα-helixtrans-50.5-41.8-178.8-64.3-173.8000112.4L116 H117 F123 K124 Y163L116-I120 WeakPolarHBondContact O-CG1 3.46Å; L116-I120 PolarHBondContact O-N 3.1Å; H117-I120 WeakPolarHBondContact O-CG1 3.31Å; I120-F123 PolarHBondContact O-N 2.63Å; I120-K124 PolarHBondContact O-N 2.93Å; I120-Y163 HydrophobicContact CG2-CE2 4.04Å; I120-Y163 WeakPolarHBondContact CG2-OH 3.44Å
121Q88.6Confident85.7Confident136 Ų13658.6 Ų58.664%0.63630%0.298SS*.Hα-helixtrans-65.7-39.5-179.5-64.7-60.1-28.200112E119 K124 Q125E119-Q121 PolarHBondContact O-N 2.97Å; E119-Q121 VanDerWaalsContact O-N 3.11Å; Q121-K124 WeakPolarHBondContact O-CB 3.41Å; Q121-K124 PolarHBondContact O-N 2.75Å; Q121-Q125 WeakPolarHBondContact O-CG 3.18Å; Q121-Q125 PolarHBondContact O-N 3.17Å; Q121-Q125 VanDerWaalsContact O-N 3.09Å
122S89Confident85.8Confident44 Ų4463.9 Ų63.931%0.30832%0.323SS..Hα-helixtrans-63.3-46.7174.6-53.80000110.4E119 K124 Q125 I126E119-S122 WeakPolarHBondContact O-CA 3.41Å; E119-S122 WeakPolarHBondContact O-CB 3.35Å; E119-S122 PolarHBondContact O-N 3.31Å; S122-K124 VanDerWaalsContact C-N 3.26Å; S122-K124 PolarHBondContact O-N 3.43Å; S122-Q125 WeakPolarHBondContact O-CB 3.49Å; S122-Q125 PolarHBondContact O-N 3.06Å; S122-Q125 VanDerWaalsContact O-N 3.08Å; S122-I126 WeakPolarHBondContact O-CD1 3.45Å; S122-I126 WeakPolarHBondContact O-CG1 3.5Å; S122-I126 PolarHBondContact O-N 3.3Å
123F89.9Confident86Confident0 Ų065.4 Ų65.40%033%0.332CS..Hα-helixtrans-62.4-33.5178.1-58.3-34.3000113.1L116 E119 I120 I126 S127 I160 Y163 F283 P285L116-F123 HydrophobicContact CD1-CD2 4.24Å; L116-F123 HydrophobicContact CD1-CE2 3.8Å; E119-F123 HydrophobicContact CB-CD2 4.31Å; E119-F123 HydrophobicContact CB-CE1 4.25Å; E119-F123 HydrophobicContact CB-CE2 3.62Å; E119-F123 HydrophobicContact CB-CZ 3.59Å; E119-F123 WeakPolarHBondContact O-CD2 3.47Å; E119-F123 PolarHBondContact O-N 2.93Å; E119-F123 VanDerWaalsContact OE2-CZ 3.29Å; E119-F123 WeakPolarHBondContact OE2-CZ 3.05Å; I120-F123 PolarHBondContact O-N 2.63Å; F123-I126 HydrophobicContact CD1-CD1 4.22Å; F123-S127 PolarHBondContact O-N 2.73Å; F123-S127 PolarHBondContact O-OG 3.2Å; F123-I160 HydrophobicContact CD1-CG2 4.35Å; F123-I160 HydrophobicContact CD2-CG2 4.47Å; F123-I160 HydrophobicContact CE1-CG2 4.31Å; F123-I160 HydrophobicContact CE2-CD1 4.29Å; F123-I160 HydrophobicContact CE2-CG1 4.36Å; F123-I160 HydrophobicContact CE2-CG2 4.43Å; F123-I160 HydrophobicContact CG-CG2 4.45Å; F123-I160 HydrophobicContact CZ-CD1 3.94Å; F123-I160 HydrophobicContact CZ-CG1 4.45Å; F123-I160 HydrophobicContact CZ-CG2 4.35Å; F123-Y163 HydrophobicContact CB-CD1 3.85Å; F123-Y163 HydrophobicContact CB-CE1 3.65Å; F123-F283 HydrophobicContact CD1-CE1 4.14Å; F123-F283 AromaticContact CD1-CZ 3.67Å; F123-F283 HydrophobicContact CD1-CZ 3.67Å; F123-F283 HydrophobicContact CE1-CE1 4.27Å; F123-F283 AromaticContact CE1-CZ 3.72Å; F123-F283 HydrophobicContact CE1-CZ 3.72Å; F123-P285 HydrophobicContact CE1-CB 4.43Å
124K90.3Very high86.3Confident86 Ų8662.5 Ų62.537%0.37431%0.313SS..Hα-helixtrans-63.3-49.3171.4-175.4167.8-175.7169.30111.2I120 Q121 S122 I126 S127 H128 E167I120-K124 PolarHBondContact O-N 2.93Å; Q121-K124 WeakPolarHBondContact O-CB 3.41Å; Q121-K124 PolarHBondContact O-N 2.75Å; S122-K124 VanDerWaalsContact C-N 3.26Å; S122-K124 PolarHBondContact O-N 3.43Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 2.74Å; K124-S127 WeakPolarHBondContact O-CB 3.41Å; K124-S127 PolarHBondContact O-N 3.11Å; K124-S127 VanDerWaalsContact O-N 3.14Å; K124-H128 PolarHBondContact O-CD2 3.14Å; K124-H128 VanDerWaalsContact O-CD2 3.29Å; K124-H128 PolarHBondContact O-N 3.12Å; K124-E167 VanDerWaalsContact CE-OE1 3.24Å; K124-E167 WeakPolarHBondContact CE-OE1 3.27Å; K124-E167 IonicContact NZ-OE1 3.94Å
125Q91.5Very high86.6Confident128 Ų12860.2 Ų60.260%0.59830%0.295SS*.Hα-helixtrans-59.3-41.3177.4-69.7176.5-5.400112.3Q121 S122 S127 H128 Q129Q121-Q125 WeakPolarHBondContact O-CG 3.18Å; Q121-Q125 PolarHBondContact O-N 3.17Å; Q121-Q125 VanDerWaalsContact O-N 3.09Å; S122-Q125 WeakPolarHBondContact O-CB 3.49Å; S122-Q125 PolarHBondContact O-N 3.06Å; S122-Q125 VanDerWaalsContact O-N 3.08Å; Q125-S127 VanDerWaalsContact C-N 3.34Å; Q125-S127 PolarHBondContact O-N 3.17Å; Q125-H128 WeakPolarHBondContact O-CB 3.35Å; Q125-H128 PolarHBondContact O-N 3.37Å; Q125-Q129 WeakPolarHBondContact O-CG 3.34Å; Q125-Q129 PolarHBondContact O-N 3.05Å
126I91.9Very high86.8Confident8 Ų860.3 Ų60.34%0.04130%0.302CS..Hα-helixtrans-61.7-42175.4-72.3152.2000111.2S122 F123 K124 H128 Q129 L130 F283 C288 L290S122-I126 WeakPolarHBondContact O-CD1 3.45Å; S122-I126 WeakPolarHBondContact O-CG1 3.5Å; S122-I126 PolarHBondContact O-N 3.3Å; F123-I126 HydrophobicContact CD1-CD1 4.22Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 2.74Å; I126-H128 VanDerWaalsContact C-N 3.28Å; I126-H128 PolarHBondContact O-N 3.42Å; I126-Q129 PolarHBondContact O-N 2.92Å; I126-Q129 VanDerWaalsContact O-N 3.15Å; I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.33Å; I126-L130 WeakPolarHBondContact O-CB 3.48Å; I126-L130 WeakPolarHBondContact O-CG 3.49Å; I126-L130 PolarHBondContact O-N 3.33Å; I126-F283 HydrophobicContact CD1-CD2 4.09Å; I126-F283 HydrophobicContact CD1-CE2 3.21Å; I126-F283 HydrophobicContact CD1-CZ 3.53Å; I126-F283 HydrophobicContact CG1-CE2 4.09Å; I126-F283 HydrophobicContact CG2-CD2 3.94Å; I126-F283 HydrophobicContact CG2-CE2 4.07Å; I126-F283 HydrophobicContact CG2-CG 4.24Å; I126-F283 HydrophobicContact CG2-CZ 4.4Å; I126-C288 HydrophobicContact CD1-CB 4.39Å; I126-L290 HydrophobicContact CG2-CD1 4.35Å
127S91.8Very high86.6Confident0 Ų061.5 Ų61.50%030%0.304CS..Hα-helixtrans-61.1-38.8175.7-55.40000111.7F123 K124 Q125 I131 L168F123-S127 PolarHBondContact O-N 2.73Å; F123-S127 PolarHBondContact O-OG 3.2Å; K124-S127 WeakPolarHBondContact O-CB 3.41Å; K124-S127 PolarHBondContact O-N 3.11Å; K124-S127 VanDerWaalsContact O-N 3.14Å; Q125-S127 VanDerWaalsContact C-N 3.34Å; Q125-S127 PolarHBondContact O-N 3.17Å; S127-I131 PolarHBondContact O-N 2.91Å; S127-I131 VanDerWaalsContact O-N 3.15Å; S127-L168 WeakPolarHBondContact O-CD2 3.42Å
128H90.3Very high86.1Confident87 Ų8755.2 Ų55.240%0.40328%0.276SS..Hα-helixtrans-62.6-45.3171.8-82.6-90.3000112.8K124 Q125 I126 Q132 M171K124-H128 PolarHBondContact O-CD2 3.14Å; K124-H128 VanDerWaalsContact O-CD2 3.29Å; K124-H128 PolarHBondContact O-N 3.12Å; Q125-H128 WeakPolarHBondContact O-CB 3.35Å; Q125-H128 PolarHBondContact O-N 3.37Å; I126-H128 VanDerWaalsContact C-N 3.28Å; I126-H128 PolarHBondContact O-N 3.42Å; H128-Q132 WeakPolarHBondContact O-CG 3.35Å; H128-Q132 PolarHBondContact O-N 2.94Å; H128-M171 HydrophobicContact CB-CE 4.24Å; H128-M171 WeakPolarHBondContact ND1-CE 3.5Å
129Q90.6Very high85.2Confident103 Ų10356.3 Ų56.348%0.48128%0.277SS..Hα-helixtrans-63.3-44.8177.3-69.7176.1-2.200111.7Q125 I126 I131 Q132 T133 L290Q125-Q129 WeakPolarHBondContact O-CG 3.34Å; Q125-Q129 PolarHBondContact O-N 3.05Å; I126-Q129 PolarHBondContact O-N 2.92Å; I126-Q129 VanDerWaalsContact O-N 3.15Å; Q129-I131 PolarHBondContact O-N 3.03Å; Q129-Q132 PolarHBondContact O-N 2.74Å; Q129-T133 PolarHBondContact O-N 3.39Å; Q129-T133 PolarHBondContact O-OG1 3.27Å; Q129-T133 VanDerWaalsContact O-OG1 3.11Å; Q129-L290 HydrophobicContact CB-CD2 3.91Å
130L90.1Very high84.1Confident0 Ų059.6 Ų59.60%030%0.3CS..Hα-helixtrans-54.9-48.3177.7-78.8168.9000112.3I126 Q132 T133 I134 I164 L168 L250 I281 L290I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.33Å; I126-L130 WeakPolarHBondContact O-CB 3.48Å; I126-L130 WeakPolarHBondContact O-CG 3.49Å; I126-L130 PolarHBondContact O-N 3.33Å; L130-Q132 VanDerWaalsContact C-N 3.31Å; L130-Q132 PolarHBondContact O-N 2.67Å; L130-T133 PolarHBondContact O-N 2.65Å; L130-I134 WeakPolarHBondContact O-CD1 3.22Å; L130-I134 VanDerWaalsContact O-CG1 3.24Å; L130-I134 WeakPolarHBondContact O-CG1 3.22Å; L130-I134 PolarHBondContact O-N 3.25Å; L130-I164 HydrophobicContact CD1-CG2 4Å; L130-L168 HydrophobicContact CB-CD2 4.27Å; L130-L250 HydrophobicContact CD1-CD1 4.3Å; L130-L250 HydrophobicContact CD1-CD2 3.66Å; L130-L250 HydrophobicContact CD2-CD1 3.77Å; L130-L250 HydrophobicContact CD2-CD2 4.27Å; L130-I281 HydrophobicContact CD2-CD1 4.09Å; L130-I281 HydrophobicContact CD2-CG2 3.77Å; L130-L290 HydrophobicContact CD2-CD1 3.82Å; L130-L290 HydrophobicContact CD2-CD2 4.3Å; L130-L290 HydrophobicContact CG-CD1 4.25Å; L130-L290 HydrophobicContact CG-CD2 4.29Å
131I87.5Confident82.7Confident12 Ų1259.4 Ų59.46%0.06230%0.301CS..Hα-helixtrans-63.8-39.8-179-135.8162.3000111.4S127 Q129 I134 L135 L168 M171S127-I131 PolarHBondContact O-N 2.91Å; S127-I131 VanDerWaalsContact O-N 3.15Å; Q129-I131 PolarHBondContact O-N 3.03Å; I131-I134 PolarHBondContact O-N 2.74Å; I131-L135 HydrophobicContact CG2-CD1 4.48Å; I131-L135 WeakPolarHBondContact O-CB 3.23Å; I131-L135 VanDerWaalsContact O-CG 3.25Å; I131-L135 WeakPolarHBondContact O-CG 3.26Å; I131-L135 PolarHBondContact O-N 3.31Å; I131-L168 HydrophobicContact CB-CD2 4.25Å; I131-L168 HydrophobicContact CD1-CD2 4.29Å; I131-L168 HydrophobicContact CG1-CD2 4.31Å; I131-M171 HydrophobicContact CB-CE 3.89Å; I131-M171 HydrophobicContact CD1-CB 3.64Å; I131-M171 HydrophobicContact CD1-CE 3.94Å; I131-M171 HydrophobicContact CD1-SD 4.39Å; I131-M171 HydrophobicContact CG2-CE 3.41Å; I131-M171 VanDerWaalsContact CG2-CE 3.41Å
132Q86.4Confident81.2Confident122 Ų12258.5 Ų58.557%0.5731%0.305SS*.Hα-helixtrans-65.8-40.5179.6-66.6-61.2-34.700111.2H128 Q129 L130 L135 S136H128-Q132 WeakPolarHBondContact O-CG 3.35Å; H128-Q132 PolarHBondContact O-N 2.94Å; Q129-Q132 PolarHBondContact O-N 2.74Å; L130-Q132 VanDerWaalsContact C-N 3.31Å; L130-Q132 PolarHBondContact O-N 2.67Å; Q132-L135 PolarHBondContact O-N 3.41Å; Q132-S136 PolarHBondContact O-N 3.43Å; Q132-S136 PolarHBondContact O-OG 2.95Å
133T84.6Confident79.6Confident36 Ų3660.5 Ų60.522%0.22132%0.317CS..Hα-helixtrans-64.4-39.8174.5-550000112.4Q129 L130 S136 Y137 I281 L292Q129-T133 PolarHBondContact O-N 3.39Å; Q129-T133 PolarHBondContact O-OG1 3.27Å; Q129-T133 VanDerWaalsContact O-OG1 3.11Å; L130-T133 PolarHBondContact O-N 2.65Å; T133-S136 PolarHBondContact O-OG 3.26Å; T133-Y137 PolarHBondContact O-N 3.09Å; T133-Y137 VanDerWaalsContact O-N 3.14Å; T133-I281 HydrophobicContact CG2-CD1 4.13Å; T133-L292 HydrophobicContact CG2-CD1 4.48Å; T133-L292 HydrophobicContact CG2-CD2 4.05Å
134I82.9Confident78.1Confident2 Ų265.7 Ų65.71%0.0135%0.349CS..Hα-helixtrans-68.6-41.9179.1-65.5160000110.9L130 I131 Y137 S138 P147 L149 P195 M248L130-I134 WeakPolarHBondContact O-CD1 3.22Å; L130-I134 VanDerWaalsContact O-CG1 3.24Å; L130-I134 WeakPolarHBondContact O-CG1 3.22Å; L130-I134 PolarHBondContact O-N 3.25Å; I131-I134 PolarHBondContact O-N 2.74Å; I134-Y137 PolarHBondContact O-N 2.82Å; I134-S138 PolarHBondContact O-N 3.3Å; I134-P147 HydrophobicContact CG2-CG 4Å; I134-L149 HydrophobicContact CD1-CD1 4.02Å; I134-L149 HydrophobicContact CD1-CD2 3.61Å; I134-L149 HydrophobicContact CD1-CG 4.27Å; I134-P195 HydrophobicContact CD1-CG 4.45Å; I134-P195 HydrophobicContact CG2-CB 4.02Å; I134-P195 HydrophobicContact CG2-CG 3.9Å; I134-M248 HydrophobicContact CB-SD 4.48Å; I134-M248 HydrophobicContact CG1-CE 4.1Å; I134-M248 HydrophobicContact CG1-SD 4.2Å; I134-M248 HydrophobicContact CG2-SD 4.13Å
135L81.8Confident76.9Confident40 Ų4063 Ų6321%0.20934%0.34CS..Hα-helixtrans-63.6-44.2177.8-70171.8000111.5I131 Q132 Y137 S138 E139 L193I131-L135 HydrophobicContact CG2-CD1 4.48Å; I131-L135 WeakPolarHBondContact O-CB 3.23Å; I131-L135 VanDerWaalsContact O-CG 3.25Å; I131-L135 WeakPolarHBondContact O-CG 3.26Å; I131-L135 PolarHBondContact O-N 3.31Å; Q132-L135 PolarHBondContact O-N 3.41Å; L135-Y137 VanDerWaalsContact C-N 3.29Å; L135-Y137 PolarHBondContact O-N 3.07Å; L135-S138 WeakPolarHBondContact O-CB 3.45Å; L135-S138 PolarHBondContact O-N 3.12Å; L135-S138 VanDerWaalsContact O-N 3.11Å; L135-E139 PolarHBondContact O-N 3.11Å; L135-E139 VanDerWaalsContact O-N 3.14Å; L135-L193 HydrophobicContact CD2-CB 4.32Å; L135-L193 HydrophobicContact CD2-CD2 4.02Å
136S80.4Confident75.8Confident62 Ų6258.5 Ų58.543%0.43432%0.321SS..Hα-helixtrans-63-35.4176.968.70000112.6Q132 T133 E139Q132-S136 PolarHBondContact O-N 3.43Å; Q132-S136 PolarHBondContact O-OG 2.95Å; T133-S136 PolarHBondContact O-OG 3.26Å; S136-E139 PolarHBondContact O-N 3.32Å
137Y74.6Confident75Confident65 Ų6558.3 Ų58.326%0.25532%0.321SS..Hα-helixtrans-64.5-41.2173.2-166.2-96.1000112.2T133 I134 L135 E139 T140 T141 M248 K279T133-Y137 PolarHBondContact O-N 3.09Å; T133-Y137 VanDerWaalsContact O-N 3.14Å; I134-Y137 PolarHBondContact O-N 2.82Å; L135-Y137 VanDerWaalsContact C-N 3.29Å; L135-Y137 PolarHBondContact O-N 3.07Å; Y137-E139 VanDerWaalsContact C-N 3.3Å; Y137-E139 PolarHBondContact O-N 3.26Å; Y137-T140 PolarHBondContact O-N 2.97Å; Y137-T140 PolarHBondContact O-OG1 3.39Å; Y137-T141 HydrophobicContact CE1-CG2 4.01Å; Y137-T141 PolarHBondContact O-N 3.47Å; Y137-T141 PolarHBondContact O-OG1 2.99Å; Y137-M248 HydrophobicContact CD1-CG 4.49Å; Y137-M248 HydrophobicContact CD1-SD 3.9Å; Y137-M248 HydrophobicContact CG-CE 4.32Å; Y137-M248 HydrophobicContact CG-SD 4.16Å; Y137-K279 HydrophobicContact CE1-CD 4.31Å; Y137-K279 HydrophobicContact CE1-CG 4.44Å; Y137-K279 WeakPolarHBondContact OH-CE 3.41Å
138S69.8Low74.5Confident4 Ų458.3 Ų58.33%0.02832%0.321CS..Hα-helixtrans-65.8-29.3179.1-169.40000113.4I134 L135I134-S138 PolarHBondContact O-N 3.3Å; L135-S138 WeakPolarHBondContact O-CB 3.45Å; L135-S138 PolarHBondContact O-N 3.12Å; L135-S138 VanDerWaalsContact O-N 3.11Å
139E65.2Low74.3Confident150 Ų15054.2 Ų54.270%0.70130%0.302SS*.Hα-helixtrans-73.3-29.9177.8-71.6176.9-178.200112.8L135 S136 Y137L135-E139 PolarHBondContact O-N 3.11Å; L135-E139 VanDerWaalsContact O-N 3.14Å; S136-E139 PolarHBondContact O-N 3.32Å; Y137-E139 VanDerWaalsContact C-N 3.3Å; Y137-E139 PolarHBondContact O-N 3.26Å
140T62.5Low74.1Confident114 Ų11449.3 Ų49.370%0.69928%0.279SS*.Hα-helixtrans-83.2-19.8-178.462.60000114.1Y137Y137-T140 PolarHBondContact O-N 2.97Å; Y137-T140 PolarHBondContact O-OG1 3.39Å
141T58.2Low74Confident49 Ų4949.3 Ų49.330%0.30128%0.279SS..SBendtrans-103.7157.1179.452.50000110.3Y137 P143Y137-T141 HydrophobicContact CE1-CG2 4.01Å; Y137-T141 PolarHBondContact O-N 3.47Å; Y137-T141 PolarHBondContact O-OG1 2.99Å; T141-P143 WeakPolarHBondContact O-CD 3.11Å; T141-P143 VanDerWaalsContact O-N 3.09Å
142T55.4Low74Confident117 Ų11748.7 Ų48.772%0.71828%0.276SS*.  trans-51.9118.1-174.447.60000111.4T144T142-T144 PolarHBondContact O-N 3.42Å
143P55Low74.1Confident85 Ų8543 Ų4355%0.55225%0.249SC*.THydrogen-bonded Turntrans-78.620.6-160.528.9-36.4000115.6T141T141-P143 WeakPolarHBondContact O-CD 3.11Å; T141-P143 VanDerWaalsContact O-N 3.09Å
144T60.4Low74.1Confident110 Ų11041.9 Ų41.968%0.67524%0.242SC*.THydrogen-bonded Turntrans-78.5-25.5-173.951.10000113.7T142T142-T144 PolarHBondContact O-N 3.42Å
145T63.7Low74.2Confident29 Ų2942.6 Ų42.618%0.17825%0.245CC..SBendtrans-143.2130-177.553.70000111.7N243T145-N243 HydrophobicContact CG2-CB 4.3Å
146P68.4Low74.3Confident33 Ų3342.6 Ų42.621%0.21424%0.242CC..PPolyproline II helixtrans-65.1151.5176.428.9-36.2000111.6N192 L194 H245P146-N192 WeakPolarHBondContact CG-O 3.41Å; P146-L194 VanDerWaalsContact CB-O 3.24Å; P146-L194 WeakPolarHBondContact CB-O 3.09Å; P146-H245 PolarHBondContact O-ND1 2.87Å; P146-H245 VanDerWaalsContact O-ND1 3.1Å
147P75.9Confident74.7Confident4 Ų439.8 Ų39.83%0.02622%0.222CC..PPolyproline II helixtrans-70.1155.6177.828.6-33.1000112.2I134 P195 K196 S246 M248I134-P147 HydrophobicContact CG2-CG 4Å; P147-P195 HydrophobicContact CG-CB 4.44Å; P147-P195 CarbonylContact O-C 3.6Å; P147-P195 WeakPolarHBondContact O-CA 3.38Å; P147-P195 WeakPolarHBondContact O-CB 3.28Å; P147-K196 PolarHBondContact O-N 3.31Å; P147-K196 VanDerWaalsContact O-N 3.12Å; P147-S246 CarbonylContact C-O 3.59Å; P147-S246 WeakPolarHBondContact CA-O 3.44Å; P147-S246 WeakPolarHBondContact CB-O 3.28Å; P147-M248 HydrophobicContact CB-CG 4.35Å; P147-M248 HydrophobicContact CB-SD 4.34Å; P147-M248 HydrophobicContact CG-SD 4.33Å
148I79.9Confident75.3Confident1 Ų140 Ų401%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-93.2123169.1-59.1177000107.3K196 I198 L236 H245 S246 W247 M248I148-K196 CarbonylContact C-O 3.55Å; I148-K196 WeakPolarHBondContact CA-O 2.92Å; I148-K196 HydrophobicContact CG1-CB 4.18Å; I148-K196 HydrophobicContact CG2-CB 4.5Å; I148-K196 WeakPolarHBondContact CG2-O 3.23Å; I148-I198 HydrophobicContact CG2-CD1 3.56Å; I148-I198 HydrophobicContact CG2-CG1 3.95Å; I148-L236 HydrophobicContact CD1-CD1 4.27Å; I148-H245 HydrophobicContact CD1-CB 3.63Å; I148-H245 HydrophobicContact CG1-CB 3.84Å; I148-S246 PolarHBondContact N-O 3.4Å; I148-W247 HydrophobicContact CB-CD2 4.21Å; I148-W247 HydrophobicContact CB-CE3 4.1Å; I148-W247 HydrophobicContact CB-CZ3 4.45Å; I148-W247 HydrophobicContact CD1-CD2 4.46Å; I148-W247 HydrophobicContact CD1-CH2 4.3Å; I148-W247 HydrophobicContact CD1-CZ2 3.95Å; I148-W247 HydrophobicContact CG2-CD2 4.4Å; I148-W247 HydrophobicContact CG2-CE3 3.82Å; I148-W247 HydrophobicContact CG2-CH2 4.28Å; I148-W247 HydrophobicContact CG2-CZ3 3.76Å; I148-M248 PolarHBondContact O-N 3.3Å
149L86.7Confident76.2Confident0 Ų041.8 Ų41.80%024%0.24CC..EExtended strand (participates in β ladder)trans-96.8112.7173.4-17974.8000109.5I134 I151 L168 P195 K196 L197 I198 M248 L250I134-L149 HydrophobicContact CD1-CD1 4.02Å; I134-L149 HydrophobicContact CD1-CD2 3.61Å; I134-L149 HydrophobicContact CD1-CG 4.27Å; L149-I151 HydrophobicContact CD2-CG1 4.27Å; L149-I151 HydrophobicContact CG-CG1 4.43Å; L149-L168 HydrophobicContact CD2-CD1 3.95Å; L149-P195 HydrophobicContact CB-CB 4.08Å; L149-K196 PolarHBondContact N-O 2.92Å; L149-L197 HydrophobicContact CB-CD2 4.05Å; L149-L197 HydrophobicContact CD2-CD2 3.59Å; L149-L197 HydrophobicContact CG-CD2 4.31Å; L149-I198 PolarHBondContact O-N 3.02Å; L149-M248 WeakPolarHBondContact CA-O 3.36Å; L149-M248 HydrophobicContact CD1-CB 3.91Å; L149-L250 HydrophobicContact CD1-CB 4.15Å
150L86.3Confident77.4Confident0 Ų034.7 Ų34.70%021%0.206CC..EExtended strand (participates in β ladder)trans-91116173178.865000110.4M152 I198 I230 W247 M248 M249 L250 L272 I275L150-M152 HydrophobicContact CD1-CG 4.48Å; L150-M152 HydrophobicContact CD2-CG 4Å; L150-M152 HydrophobicContact CD2-SD 3.7Å; L150-M152 HydrophobicContact CG-CG 3.83Å; L150-M152 HydrophobicContact CG-SD 4.21Å; L150-I198 CarbonylContact C-O 3.06Å; L150-I198 WeakPolarHBondContact CA-O 3.39Å; L150-I198 HydrophobicContact CD1-CB 4.14Å; L150-I198 HydrophobicContact CD1-CG2 3.76Å; L150-I230 HydrophobicContact CD1-CG2 4.08Å; L150-I230 HydrophobicContact CD2-CD1 4.07Å; L150-I230 HydrophobicContact CD2-CG2 3.88Å; L150-W247 HydrophobicContact CB-CE3 4.48Å; L150-M248 PolarHBondContact N-O 3.2Å; L150-M249 CarbonylContact O-C 3.48Å; L150-M249 VanDerWaalsContact O-CA 3.29Å; L150-M249 WeakPolarHBondContact O-CA 3.12Å; L150-L250 PolarHBondContact O-N 3.31Å; L150-L272 HydrophobicContact CD2-CD1 3.69Å; L150-I275 HydrophobicContact CB-CD1 4.4Å; L150-I275 HydrophobicContact CD2-CD1 3.9Å
151I89Confident78.8Confident0 Ų029.2 Ų29.20%017%0.173CC..EExtended strand (participates in β ladder)trans-93.1110.6176.1-54.1-178.7000109L149 A161 Y165 L168 L197 I198 W199 S200 L250 I252L149-I151 HydrophobicContact CD2-CG1 4.27Å; L149-I151 HydrophobicContact CG-CG1 4.43Å; I151-A161 HydrophobicContact CG2-CB 4.39Å; I151-Y165 HydrophobicContact CD1-CD2 4.08Å; I151-L168 HydrophobicContact CD1-CD1 4.34Å; I151-L197 HydrophobicContact CD1-CD2 4.48Å; I151-I198 PolarHBondContact N-O 3.22Å; I151-W199 HydrophobicContact CB-CB 4.05Å; I151-W199 CarbonylContact O-C 3.59Å; I151-W199 WeakPolarHBondContact O-CA 3.46Å; I151-S200 PolarHBondContact O-N 3.45Å; I151-L250 CarbonylContact C-O 3.56Å; I151-L250 WeakPolarHBondContact CA-O 3.06Å; I151-L250 HydrophobicContact CG1-CB 4.47Å; I151-L250 HydrophobicContact CG1-CD2 4.35Å; I151-L250 HydrophobicContact CG2-CD2 4.39Å; I151-I252 HydrophobicContact CG2-CD1 3.62Å; I151-I252 HydrophobicContact CG2-CG1 4.33Å
152M88.1Confident80.2Confident0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-108.1146.3174.1-59.2-163.864.200109.7L150 S200 L228 I230 M249 L250 Y251 I252 I268 L272L150-M152 HydrophobicContact CD1-CG 4.48Å; L150-M152 HydrophobicContact CD2-CG 4Å; L150-M152 HydrophobicContact CD2-SD 3.7Å; L150-M152 HydrophobicContact CG-CG 3.83Å; L150-M152 HydrophobicContact CG-SD 4.21Å; M152-S200 WeakPolarHBondContact CA-OG 3.38Å; M152-L228 HydrophobicContact CB-CD1 4.46Å; M152-L228 HydrophobicContact CE-CB 3.96Å; M152-L228 HydrophobicContact CE-CD1 3.33Å; M152-L228 HydrophobicContact CE-CG 4.26Å; M152-I230 HydrophobicContact CE-CD1 3.64Å; M152-I230 HydrophobicContact CE-CG1 4.13Å; M152-I230 HydrophobicContact SD-CD1 3.75Å; M152-M249 HydrophobicContact CB-SD 4.45Å; M152-M249 HydrophobicContact CG-CG 4.23Å; M152-M249 HydrophobicContact CG-SD 4.07Å; M152-M249 HydrophobicContact SD-CG 4.38Å; M152-M249 HydrophobicContact SD-SD 3.54Å; M152-L250 PolarHBondContact N-O 2.56Å; M152-Y251 HydrophobicContact CB-CD2 4.18Å; M152-Y251 CarbonylContact O-C 3.55Å; M152-Y251 VanDerWaalsContact O-CA 3.32Å; M152-Y251 WeakPolarHBondContact O-CA 3.48Å; M152-I252 PolarHBondContact O-N 2.92Å; M152-I268 HydrophobicContact CB-CD1 4.49Å; M152-I268 HydrophobicContact CE-CB 4.2Å; M152-I268 HydrophobicContact CE-CD1 3.5Å; M152-I268 VanDerWaalsContact CE-CD1 3.5Å; M152-I268 HydrophobicContact CE-CG1 3.6Å; M152-I268 HydrophobicContact CE-CG2 3.55Å; M152-I268 HydrophobicContact SD-CB 4.36Å; M152-I268 HydrophobicContact SD-CD1 4.13Å; M152-I268 HydrophobicContact SD-CG1 4.33Å; M152-I268 HydrophobicContact SD-CG2 3.19Å; M152-I268 WeakPolarHBondContact SD-CG2 3.49Å; M152-L272 HydrophobicContact SD-CD1 4.46Å
153Y87Confident81.9Confident3 Ų327.3 Ų27.31%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-149.6151.7-175.957.3-95.5000113.2F155 K158 A161 W199 S200 E201 I252Y153-F155 HydrophobicContact CE2-CD1 4.2Å; Y153-K158 HydrophobicContact CD2-CB 4.26Å; Y153-K158 HydrophobicContact CE2-CB 3.69Å; Y153-K158 HydrophobicContact CE2-CD 4.41Å; Y153-K158 HydrophobicContact CE2-CG 3.93Å; Y153-A161 HydrophobicContact CD1-CB 3.39Å; Y153-A161 HydrophobicContact CD2-CB 4.39Å; Y153-A161 HydrophobicContact CE1-CB 3.89Å; Y153-A161 HydrophobicContact CG-CB 3.66Å; Y153-W199 HydrophobicContact CE1-CE3 4.3Å; Y153-S200 WeakPolarHBondContact CE1-O 3.32Å; Y153-S200 VanDerWaalsContact CZ-O 3.23Å; Y153-S200 PolarHBondContact OH-O 3.06Å; Y153-S200 VanDerWaalsContact OH-O 3.1Å; Y153-E201 PolarHBondContact OH-OE2 3.49Å; Y153-E201 VanDerWaalsContact OH-OE2 3.04Å; Y153-I252 CarbonylContact C-O 3.51Å; Y153-I252 WeakPolarHBondContact CA-O 3.49Å
154D85.5Confident83.6Confident12 Ų1223.3 Ų23.36%0.06412%0.124CC..  trans-68.2132.3159.8-179.7-32.6000108.4R92 R156 F157 I252R92-D154 IonicContact NH1-OD2 2.89Å; D154-R156 PolarHBondContact O-N 3.5Å; D154-R156 WeakPolarHBondContact OD1-CG 3.48Å; D154-R156 PolarHBondContact OD1-N 3.16Å; D154-R156 IonicContact OD1-NE 3.86Å; D154-R156 PolarHBondContact OD1-NE 3.12Å; D154-R156 IonicContact OD2-CZ 2.94Å; D154-R156 VanDerWaalsContact OD2-CZ 3.3Å; D154-R156 IonicContact OD2-NE 2.75Å; D154-R156 PolarHBondContact OD2-NE 2.81Å; D154-R156 IonicContact OD2-NH2 3.99Å; D154-R156 PolarHBondContact OD2-NH2 2.8Å; D154-F157 HydrophobicContact CB-CD2 3.83Å; D154-F157 HydrophobicContact CB-CE2 4.16Å; D154-F157 WeakPolarHBondContact O-CA 3.45Å; D154-F157 PolarHBondContact O-N 2.78Å; D154-I252 PolarHBondContact N-O 3.41Å
155F83.6Confident85Confident17 Ų1721.7 Ų21.78%0.07511%0.106CC..G310 helixtrans-52.6-29.6-175.8-58.2-48.3000114.4L95 F108 Y153 F157 K158 P202 R227 L228L95-F155 HydrophobicContact CD1-CE2 3.96Å; L95-F155 HydrophobicContact CD1-CZ 4.05Å; F108-F155 HydrophobicContact CB-CB 3.77Å; F108-F155 HydrophobicContact CD1-CB 4.35Å; F108-F155 AromaticContact CD1-CD2 3.58Å; F108-F155 HydrophobicContact CD1-CD2 3.58Å; F108-F155 HydrophobicContact CD1-CE2 4.32Å; F108-F155 HydrophobicContact CD1-CG 4.3Å; F108-F155 HydrophobicContact CD2-CB 4.15Å; F108-F155 HydrophobicContact CD2-CD2 4.29Å; F108-F155 HydrophobicContact CD2-CG 4.32Å; F108-F155 AromaticContact CE1-CD2 3.67Å; F108-F155 HydrophobicContact CE1-CD2 3.67Å; F108-F155 AromaticContact CE1-CE2 3.95Å; F108-F155 HydrophobicContact CE1-CE2 3.95Å; F108-F155 HydrophobicContact CE2-CD2 4.38Å; F108-F155 HydrophobicContact CG-CB 3.84Å; F108-F155 AromaticContact CG-CD2 3.9Å; F108-F155 HydrophobicContact CG-CD2 3.9Å; F108-F155 HydrophobicContact CG-CG 4.15Å; F108-F155 HydrophobicContact CZ-CD2 4.08Å; F108-F155 HydrophobicContact CZ-CE2 4.22Å; Y153-F155 HydrophobicContact CE2-CD1 4.2Å; F155-F157 PolarHBondContact O-N 2.88Å; F155-K158 WeakPolarHBondContact O-CB 3.45Å; F155-K158 PolarHBondContact O-N 3.37Å; F155-K158 VanDerWaalsContact O-N 3.15Å; F155-P202 HydrophobicContact CD1-CB 4.08Å; F155-P202 HydrophobicContact CD1-CG 4.33Å; F155-P202 HydrophobicContact CE1-CB 3.39Å; F155-P202 HydrophobicContact CE1-CG 3.99Å; F155-P202 HydrophobicContact CE2-CB 4.28Å; F155-P202 HydrophobicContact CZ-CB 3.52Å; F155-R227 HydrophobicContact CE2-CB 3.92Å; F155-R227 HydrophobicContact CZ-CB 3.93Å; F155-L228 HydrophobicContact CD1-CD2 4.3Å; F155-L228 HydrophobicContact CE1-CD2 3.23Å; F155-L228 HydrophobicContact CE1-CG 4.45Å; F155-L228 HydrophobicContact CZ-CD2 3.47Å; F155-L228 VanDerWaalsContact CZ-CD2 3.47Å; F155-L228 HydrophobicContact CZ-CG 4.3Å
156R85.1Confident86.2Confident40 Ų4027 Ų2715%0.15113%0.127CC..G310 helixtrans-57.2-33.8174-64.8177.7-67.6164.71.2112.2G109 Y111 D154G109-R156 WeakPolarHBondContact O-CA 3.29Å; Y111-R156 WeakPolarHBondContact CB-O 3.35Å; Y111-R156 PolarHBondContact N-O 2.89Å; D154-R156 PolarHBondContact O-N 3.5Å; D154-R156 WeakPolarHBondContact OD1-CG 3.48Å; D154-R156 PolarHBondContact OD1-N 3.16Å; D154-R156 IonicContact OD1-NE 3.86Å; D154-R156 PolarHBondContact OD1-NE 3.12Å; D154-R156 IonicContact OD2-CZ 2.94Å; D154-R156 VanDerWaalsContact OD2-CZ 3.3Å; D154-R156 IonicContact OD2-NE 2.75Å; D154-R156 PolarHBondContact OD2-NE 2.81Å; D154-R156 IonicContact OD2-NH2 3.99Å; D154-R156 PolarHBondContact OD2-NH2 2.8Å
157F88.9Confident87.2Confident3 Ų327 Ų271%0.01312%0.124CC..G310 helixtrans-98.217.3-177.8-51-60.3000113.6Y111 D154 F155 A159 I160 A161 I252 H254 P285 I286Y111-F157 AromaticContact CD2-CD1 3.88Å; Y111-F157 HydrophobicContact CD2-CD1 3.88Å; Y111-F157 AromaticContact CD2-CE1 3.63Å; Y111-F157 HydrophobicContact CD2-CE1 3.63Å; Y111-F157 HydrophobicContact CE2-CE1 4.14Å; Y111-F157 HydrophobicContact CG-CD1 4.19Å; Y111-F157 HydrophobicContact CG-CE1 4.39Å; D154-F157 HydrophobicContact CB-CD2 3.83Å; D154-F157 HydrophobicContact CB-CE2 4.16Å; D154-F157 WeakPolarHBondContact O-CA 3.45Å; D154-F157 PolarHBondContact O-N 2.78Å; F155-F157 PolarHBondContact O-N 2.88Å; F157-A159 PolarHBondContact O-N 2.82Å; F157-I160 HydrophobicContact CB-CB 4.33Å; F157-I160 HydrophobicContact CB-CD1 4.25Å; F157-I160 HydrophobicContact CD1-CD1 3.75Å; F157-I160 HydrophobicContact CG-CD1 4.39Å; F157-I160 WeakPolarHBondContact O-CA 3.5Å; F157-I160 WeakPolarHBondContact O-CB 3.5Å; F157-I160 PolarHBondContact O-N 3.08Å; F157-A161 PolarHBondContact O-N 3.32Å; F157-I252 HydrophobicContact CB-CG2 4.02Å; F157-H254 HydrophobicContact CE2-CB 4.49Å; F157-P285 HydrophobicContact CB-CG 4.2Å; F157-P285 HydrophobicContact CD1-CB 3.9Å; F157-P285 HydrophobicContact CD1-CG 3.81Å; F157-P285 HydrophobicContact CD2-CG 3.99Å; F157-P285 HydrophobicContact CE1-CB 4Å; F157-P285 HydrophobicContact CE1-CG 4.13Å; F157-P285 HydrophobicContact CE2-CG 4.34Å; F157-P285 HydrophobicContact CG-CB 4.34Å; F157-P285 HydrophobicContact CG-CG 3.74Å; F157-P285 HydrophobicContact CZ-CG 4.4Å; F157-I286 HydrophobicContact CE1-CG1 4.1Å; F157-I286 HydrophobicContact CZ-CD1 4Å; F157-I286 HydrophobicContact CZ-CG1 3.93Å
158K87.5Confident87.9Confident69 Ų6927 Ų2730%0.312%0.124SC..Hα-helixtrans-50.3-43.7178.1178.1167-179.1152.80113Y153 F155 I160 A161 Q162 E201Y153-K158 HydrophobicContact CD2-CB 4.26Å; Y153-K158 HydrophobicContact CE2-CB 3.69Å; Y153-K158 HydrophobicContact CE2-CD 4.41Å; Y153-K158 HydrophobicContact CE2-CG 3.93Å; F155-K158 WeakPolarHBondContact O-CB 3.45Å; F155-K158 PolarHBondContact O-N 3.37Å; F155-K158 VanDerWaalsContact O-N 3.15Å; K158-I160 VanDerWaalsContact C-N 3.3Å; K158-I160 PolarHBondContact O-N 2.6Å; K158-A161 PolarHBondContact O-N 3.1Å; K158-Q162 WeakPolarHBondContact O-CB 3.28Å; K158-Q162 WeakPolarHBondContact O-CG 3.39Å; K158-Q162 PolarHBondContact O-N 3.44Å; K158-E201 VanDerWaalsContact NZ-CD 3.26Å; K158-E201 IonicContact NZ-OE1 3.98Å; K158-E201 PolarHBondContact NZ-OE1 3.4Å; K158-E201 IonicContact NZ-OE2 3.3Å; K158-E201 PolarHBondContact NZ-OE2 3.48Å
159A88.7Confident88.2Confident42 Ų4229.4 Ų29.435%0.34714%0.138SC..Hα-helixtrans-64.3-34.9178.800000112.7L116 F157 Q162 Y163L116-A159 HydrophobicContact CD2-CB 4.16Å; F157-A159 PolarHBondContact O-N 2.82Å; A159-Q162 WeakPolarHBondContact O-CB 3.32Å; A159-Y163 WeakPolarHBondContact O-CB 3.33Å; A159-Y163 PolarHBondContact O-N 3.4Å
160I90.3Very high88.2Confident0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-72.5-43.9177.5-56.6178.3000109.9Y111 L116 F123 F157 K158 Q162 Y163 I164 I252 F283 P285Y111-I160 HydrophobicContact CD1-CD1 3.75Å; Y111-I160 HydrophobicContact CD1-CG1 4.36Å; Y111-I160 HydrophobicContact CD2-CD1 4.43Å; Y111-I160 HydrophobicContact CE1-CD1 4.09Å; Y111-I160 HydrophobicContact CG-CD1 3.91Å; L116-I160 HydrophobicContact CD1-CD1 4.5Å; L116-I160 HydrophobicContact CD1-CG1 3.69Å; F123-I160 HydrophobicContact CD1-CG2 4.35Å; F123-I160 HydrophobicContact CD2-CG2 4.47Å; F123-I160 HydrophobicContact CE1-CG2 4.31Å; F123-I160 HydrophobicContact CE2-CD1 4.29Å; F123-I160 HydrophobicContact CE2-CG1 4.36Å; F123-I160 HydrophobicContact CE2-CG2 4.43Å; F123-I160 HydrophobicContact CG-CG2 4.45Å; F123-I160 HydrophobicContact CZ-CD1 3.94Å; F123-I160 HydrophobicContact CZ-CG1 4.45Å; F123-I160 HydrophobicContact CZ-CG2 4.35Å; F157-I160 HydrophobicContact CB-CB 4.33Å; F157-I160 HydrophobicContact CB-CD1 4.25Å; F157-I160 HydrophobicContact CD1-CD1 3.75Å; F157-I160 HydrophobicContact CG-CD1 4.39Å; F157-I160 WeakPolarHBondContact O-CA 3.5Å; F157-I160 WeakPolarHBondContact O-CB 3.5Å; F157-I160 PolarHBondContact O-N 3.08Å; K158-I160 VanDerWaalsContact C-N 3.3Å; K158-I160 PolarHBondContact O-N 2.6Å; I160-Q162 VanDerWaalsContact C-N 3.29Å; I160-Q162 PolarHBondContact O-N 3.36Å; I160-Y163 WeakPolarHBondContact O-CB 3.49Å; I160-Y163 PolarHBondContact O-N 3.29Å; I160-Y163 VanDerWaalsContact O-N 3.11Å; I160-I164 HydrophobicContact CG2-CD1 3.97Å; I160-I164 HydrophobicContact CG2-CG1 4.45Å; I160-I164 WeakPolarHBondContact O-CG1 3.43Å; I160-I164 PolarHBondContact O-N 2.93Å; I160-I252 HydrophobicContact CG2-CG2 4.49Å; I160-F283 HydrophobicContact CG2-CE1 4.03Å; I160-P285 HydrophobicContact CD1-CB 3.5Å; I160-P285 VanDerWaalsContact CD1-CB 3.5Å; I160-P285 HydrophobicContact CD1-CG 4.1Å
161A90.4Very high88Confident0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-58.2-42.5173.700000111.8I151 Y153 F157 K158 I164 Y165 I252I151-A161 HydrophobicContact CG2-CB 4.39Å; Y153-A161 HydrophobicContact CD1-CB 3.39Å; Y153-A161 HydrophobicContact CD2-CB 4.39Å; Y153-A161 HydrophobicContact CE1-CB 3.89Å; Y153-A161 HydrophobicContact CG-CB 3.66Å; F157-A161 PolarHBondContact O-N 3.32Å; K158-A161 PolarHBondContact O-N 3.1Å; A161-I164 PolarHBondContact O-N 2.9Å; A161-Y165 VanDerWaalsContact O-CB 3.29Å; A161-Y165 WeakPolarHBondContact O-CB 3.29Å; A161-Y165 PolarHBondContact O-N 3.42Å; A161-I252 HydrophobicContact CB-CD1 3.74Å
162Q89.4Confident87.3Confident66 Ų6633.7 Ų33.731%0.30817%0.166SC..Hα-helixtrans-59.1-43.8172.1-80.8179.3-3.100113.2K158 A159 I160 K166 W199K158-Q162 WeakPolarHBondContact O-CB 3.28Å; K158-Q162 WeakPolarHBondContact O-CG 3.39Å; K158-Q162 PolarHBondContact O-N 3.44Å; A159-Q162 WeakPolarHBondContact O-CB 3.32Å; I160-Q162 VanDerWaalsContact C-N 3.29Å; I160-Q162 PolarHBondContact O-N 3.36Å; Q162-K166 VanDerWaalsContact O-CG 3.32Å; Q162-K166 WeakPolarHBondContact O-CG 3.35Å; Q162-K166 PolarHBondContact O-N 2.98Å; Q162-K166 VanDerWaalsContact O-N 3.13Å; Q162-W199 HydrophobicContact CB-CZ3 4.11Å; Q162-W199 HydrophobicContact CG-CE3 4.48Å; Q162-W199 HydrophobicContact CG-CH2 3.39Å; Q162-W199 HydrophobicContact CG-CZ3 3.21Å
163Y89.7Confident86.3Confident60 Ų6037.5 Ų37.524%0.23519%0.19CC..Hα-helixtrans-64-51.9178178.3-91.2000111.2I120 F123 A159 I160 Y165 K166 E167I120-Y163 HydrophobicContact CG2-CE2 4.04Å; I120-Y163 WeakPolarHBondContact CG2-OH 3.44Å; F123-Y163 HydrophobicContact CB-CD1 3.85Å; F123-Y163 HydrophobicContact CB-CE1 3.65Å; A159-Y163 WeakPolarHBondContact O-CB 3.33Å; A159-Y163 PolarHBondContact O-N 3.4Å; I160-Y163 WeakPolarHBondContact O-CB 3.49Å; I160-Y163 PolarHBondContact O-N 3.29Å; I160-Y163 VanDerWaalsContact O-N 3.11Å; Y163-Y165 VanDerWaalsContact C-N 3.33Å; Y163-Y165 PolarHBondContact O-N 3.33Å; Y163-K166 PolarHBondContact O-N 3.43Å; Y163-K166 VanDerWaalsContact O-N 3.17Å; Y163-E167 PolarHBondContact O-N 3.25Å
164I91.1Very high85.1Confident0 Ų041.4 Ų41.40%021%0.214CC..Hα-helixtrans-60.1-44179.7-68.7173.9000110.7L130 I160 A161 K166 E167 L168 L250 I252 F283L130-I164 HydrophobicContact CD1-CG2 4Å; I160-I164 HydrophobicContact CG2-CD1 3.97Å; I160-I164 HydrophobicContact CG2-CG1 4.45Å; I160-I164 WeakPolarHBondContact O-CG1 3.43Å; I160-I164 PolarHBondContact O-N 2.93Å; A161-I164 PolarHBondContact O-N 2.9Å; I164-K166 PolarHBondContact O-N 3.21Å; I164-E167 PolarHBondContact O-N 3.45Å; I164-L168 HydrophobicContact CG2-CD1 3.87Å; I164-L168 HydrophobicContact CG2-CG 4.21Å; I164-L168 WeakPolarHBondContact O-CB 3.25Å; I164-L168 VanDerWaalsContact O-CG 3.3Å; I164-L168 WeakPolarHBondContact O-CG 3.19Å; I164-L168 PolarHBondContact O-N 3.08Å; I164-L250 HydrophobicContact CG2-CD2 4.11Å; I164-I252 HydrophobicContact CD1-CD1 3.97Å; I164-F283 HydrophobicContact CD1-CD1 3.62Å; I164-F283 HydrophobicContact CD1-CE1 3.55Å
165Y90Very high83.7Confident76 Ų7645 Ų4530%0.29824%0.236SC..Hα-helixtrans-55.7-49.3175.4176.1-88.6000111.7I151 A161 Y163 E167 L168 V169 L197I151-Y165 HydrophobicContact CD1-CD2 4.08Å; A161-Y165 VanDerWaalsContact O-CB 3.29Å; A161-Y165 WeakPolarHBondContact O-CB 3.29Å; A161-Y165 PolarHBondContact O-N 3.42Å; Y163-Y165 VanDerWaalsContact C-N 3.33Å; Y163-Y165 PolarHBondContact O-N 3.33Å; Y165-E167 VanDerWaalsContact C-N 3.34Å; Y165-E167 PolarHBondContact O-N 2.71Å; Y165-L168 PolarHBondContact O-N 2.92Å; Y165-V169 HydrophobicContact CD1-CG2 4.21Å; Y165-V169 HydrophobicContact CE1-CG2 3.8Å; Y165-V169 VanDerWaalsContact O-CG2 3.31Å; Y165-V169 WeakPolarHBondContact O-CG2 3.43Å; Y165-V169 PolarHBondContact O-N 3.5Å; Y165-L197 HydrophobicContact CD2-CB 3.98Å; Y165-L197 HydrophobicContact CD2-CD1 4.44Å; Y165-L197 HydrophobicContact CE2-CB 3.48Å; Y165-L197 VanDerWaalsContact CE2-CB 3.48Å; Y165-L197 HydrophobicContact CE2-CD1 4.33Å
166K89.2Confident81.9Confident141 Ų14147.8 Ų47.861%0.61326%0.255SS*.Hα-helixtrans-63.4-39.2179.4-73.6174.1-178.6177.70112.3Q162 Y163 I164 V169 S170Q162-K166 VanDerWaalsContact O-CG 3.32Å; Q162-K166 WeakPolarHBondContact O-CG 3.35Å; Q162-K166 PolarHBondContact O-N 2.98Å; Q162-K166 VanDerWaalsContact O-N 3.13Å; Y163-K166 PolarHBondContact O-N 3.43Å; Y163-K166 VanDerWaalsContact O-N 3.17Å; I164-K166 PolarHBondContact O-N 3.21Å; K166-V169 PolarHBondContact O-N 2.86Å; K166-S170 PolarHBondContact O-N 3.46Å
167E90.1Very high79.8Confident33 Ų3350.6 Ų50.615%0.15428%0.276CS..Hα-helixtrans-68.6-41.2178.4-166.765.3179.700111.6K124 Y163 I164 Y165 V169 S170 M171K124-E167 VanDerWaalsContact CE-OE1 3.24Å; K124-E167 WeakPolarHBondContact CE-OE1 3.27Å; K124-E167 IonicContact NZ-OE1 3.94Å; Y163-E167 PolarHBondContact O-N 3.25Å; I164-E167 PolarHBondContact O-N 3.45Å; Y165-E167 VanDerWaalsContact C-N 3.34Å; Y165-E167 PolarHBondContact O-N 2.71Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 3.24Å; E167-S170 PolarHBondContact O-N 3.08Å; E167-S170 PolarHBondContact O-OG 2.8Å; E167-M171 HydrophobicContact CG-SD 4.23Å; E167-M171 WeakPolarHBondContact O-CB 3.48Å; E167-M171 WeakPolarHBondContact O-CG 3.49Å; E167-M171 PolarHBondContact O-N 3Å
168L88.9Confident77.3Confident4 Ų455.9 Ų55.92%0.02131%0.309CS..Hα-helixtrans-62.7-40.1173.8-68.5174.6000111.8S127 L130 I131 L149 I151 I164 Y165 S172 L197S127-L168 WeakPolarHBondContact O-CD2 3.42Å; L130-L168 HydrophobicContact CB-CD2 4.27Å; I131-L168 HydrophobicContact CB-CD2 4.25Å; I131-L168 HydrophobicContact CD1-CD2 4.29Å; I131-L168 HydrophobicContact CG1-CD2 4.31Å; L149-L168 HydrophobicContact CD2-CD1 3.95Å; I151-L168 HydrophobicContact CD1-CD1 4.34Å; I164-L168 HydrophobicContact CG2-CD1 3.87Å; I164-L168 HydrophobicContact CG2-CG 4.21Å; I164-L168 WeakPolarHBondContact O-CB 3.25Å; I164-L168 VanDerWaalsContact O-CG 3.3Å; I164-L168 WeakPolarHBondContact O-CG 3.19Å; I164-L168 PolarHBondContact O-N 3.08Å; Y165-L168 PolarHBondContact O-N 2.92Å; L168-S172 WeakPolarHBondContact O-CB 3.39Å; L168-S172 PolarHBondContact O-N 3.02Å; L168-L197 HydrophobicContact CB-CD1 3.94Å; L168-L197 HydrophobicContact CB-CD2 4.36Å; L168-L197 HydrophobicContact CD1-CD2 4.07Å
169V86.1Confident74.7Confident52 Ų5258.3 Ų58.332%0.31533%0.33SS..Hα-helixtrans-62.9-46.2174.1172.80000111.1Y165 K166 E167 M171 S172 T173 L197Y165-V169 HydrophobicContact CD1-CG2 4.21Å; Y165-V169 HydrophobicContact CE1-CG2 3.8Å; Y165-V169 VanDerWaalsContact O-CG2 3.31Å; Y165-V169 WeakPolarHBondContact O-CG2 3.43Å; Y165-V169 PolarHBondContact O-N 3.5Å; K166-V169 PolarHBondContact O-N 2.86Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 3.24Å; V169-M171 VanDerWaalsContact C-N 3.34Å; V169-M171 PolarHBondContact O-N 3.42Å; V169-S172 WeakPolarHBondContact O-CB 3.48Å; V169-S172 PolarHBondContact O-N 3.32Å; V169-S172 PolarHBondContact O-OG 3.16Å; V169-T173 PolarHBondContact O-N 3.23Å; V169-L197 HydrophobicContact CG2-CD1 3.52Å
170S87.3Confident72Confident47 Ų4762.1 Ų62.133%0.32935%0.349SS..Hα-helixtrans-62.6-42.4-178.874.40000111.8K166 E167 S172 T173 T174K166-S170 PolarHBondContact O-N 3.46Å; E167-S170 PolarHBondContact O-N 3.08Å; E167-S170 PolarHBondContact O-OG 2.8Å; S170-S172 VanDerWaalsContact C-N 3.34Å; S170-S172 PolarHBondContact O-N 3.15Å; S170-T173 PolarHBondContact O-N 3.31Å; S170-T173 PolarHBondContact O-OG1 3.1Å; S170-T174 PolarHBondContact O-N 2.86Å; S170-T174 PolarHBondContact O-OG1 3.17Å
171M83Confident69.1Low21 Ų2166.2 Ų66.210%0.10338%0.383CS..Hα-helixtrans-63.4-40175.4-68.9171.868.200112.1H128 I131 E167 V169 T173 T174 T175H128-M171 HydrophobicContact CB-CE 4.24Å; H128-M171 WeakPolarHBondContact ND1-CE 3.5Å; I131-M171 HydrophobicContact CB-CE 3.89Å; I131-M171 HydrophobicContact CD1-CB 3.64Å; I131-M171 HydrophobicContact CD1-CE 3.94Å; I131-M171 HydrophobicContact CD1-SD 4.39Å; I131-M171 HydrophobicContact CG2-CE 3.41Å; I131-M171 VanDerWaalsContact CG2-CE 3.41Å; E167-M171 HydrophobicContact CG-SD 4.23Å; E167-M171 WeakPolarHBondContact O-CB 3.48Å; E167-M171 WeakPolarHBondContact O-CG 3.49Å; E167-M171 PolarHBondContact O-N 3Å; V169-M171 VanDerWaalsContact C-N 3.34Å; V169-M171 PolarHBondContact O-N 3.42Å; M171-T173 VanDerWaalsContact C-N 3.3Å; M171-T173 PolarHBondContact O-N 3.18Å; M171-T174 PolarHBondContact O-N 3.03Å; M171-T175 PolarHBondContact O-OG1 3.36Å; M171-T175 VanDerWaalsContact O-OG1 3.04Å
172S73Confident66.2Low22 Ų2273.2 Ų73.215%0.15443%0.426CS..Hα-helixtrans-60.7-38.4178.279.70000112.5L168 V169 S170 L194L168-S172 WeakPolarHBondContact O-CB 3.39Å; L168-S172 PolarHBondContact O-N 3.02Å; V169-S172 WeakPolarHBondContact O-CB 3.48Å; V169-S172 PolarHBondContact O-N 3.32Å; V169-S172 PolarHBondContact O-OG 3.16Å; S170-S172 VanDerWaalsContact C-N 3.34Å; S170-S172 PolarHBondContact O-N 3.15Å; S172-L194 VanDerWaalsContact O-CD1 3.27Å; S172-L194 WeakPolarHBondContact O-CD1 3.37Å
173T68.7Low63.3Low80 Ų8074.6 Ų74.649%0.49144%0.443SS..Hα-helixtrans-73.3-32.1179.259.60000113.6V169 S170 M171 T176V169-T173 PolarHBondContact O-N 3.23Å; S170-T173 PolarHBondContact O-N 3.31Å; S170-T173 PolarHBondContact O-OG1 3.1Å; M171-T173 VanDerWaalsContact C-N 3.3Å; M171-T173 PolarHBondContact O-N 3.18Å; T173-T176 PolarHBondContact O-OG1 3.22Å
174T61.4Low60.3Low84 Ų8478.9 Ų78.952%0.51547%0.47SS..Hα-helixtrans-70.7-35.4-174.9-53.80000112S170 M171 T176 T177 T178S170-T174 PolarHBondContact O-N 2.86Å; S170-T174 PolarHBondContact O-OG1 3.17Å; M171-T174 PolarHBondContact O-N 3.03Å; T174-T176 VanDerWaalsContact C-N 3.29Å; T174-T176 PolarHBondContact O-N 2.94Å; T174-T177 PolarHBondContact O-N 3.05Å; T174-T177 PolarHBondContact O-OG1 2.75Å; T174-T178 PolarHBondContact O-OG1 3.2Å
175T54.6Low57.2Low88 Ų8884.8 Ų84.854%0.5451%0.511SS..Hα-helixtrans-65.7-29.2-178.8-32.70000112.9M171M171-T175 PolarHBondContact O-OG1 3.36Å; M171-T175 VanDerWaalsContact O-OG1 3.04Å
176T47.7Very low54.2Low75 Ų7586.5 Ų86.546%0.4653%0.534SS..Hα-helixtrans-72.3-24.8177.110.80000113.9T173 T174T173-T176 PolarHBondContact O-OG1 3.22Å; T174-T176 VanDerWaalsContact C-N 3.29Å; T174-T176 PolarHBondContact O-N 2.94Å
177T39.2Very low51.2Low99 Ų9985.2 Ų85.261%0.60754%0.543SS*.Hα-helixtrans-88.3-17.6-175.337.70000114.6T174T174-T177 PolarHBondContact O-N 3.05Å; T174-T177 PolarHBondContact O-OG1 2.75Å
178T36.9Very low48.2Very low114 Ų11489.2 Ų89.270%0.69958%0.575SS**THydrogen-bonded Turntrans-91.8-3.1-174.920.30000115T174T174-T178 PolarHBondContact O-OG1 3.2Å
179T33.9Very low45.3Very low121 Ų12197.9 Ų97.974%0.74262%0.615SS**THydrogen-bonded Turntrans-105.517.3177.340.40000114.7
180T30.4Very low43Very low121 Ų121100.3 Ų100.374%0.74263%0.634SS**  trans-107.168.1168.750.40000111.6
181A29.3Very low41Very low87 Ų87101.3 Ų101.372%0.71964%0.639SS**  trans-154.870158.300000109.6
182T30.1Very low39.6Very low147 Ų147105.4 Ų105.490%0.90266%0.662SS**  trans-175.7141.1138.3240000111.5
183S28.4Very low38.9Very low94 Ų94107.1 Ų107.166%0.65767%0.669SS**  trans-57.1151.7-175.149.20000116.8
184N26.4Very low38.8Very low151 Ų151105.3 Ų105.381%0.80766%0.656SS**  trans73.495149.3-60.2-12.6000118.6
185S27.5Very low39.2Very low123 Ų123102.1 Ų102.186%0.8664%0.637SS**  179.7138.8122.938.20000111
186S25.9Very low40.1Very low112 Ų112102.2 Ų102.278%0.78363%0.63SS**  trans-68.8141.9174.339.90000111.7
187S26.5Very low41.4Very low115 Ų115100 Ų10080%0.80462%0.615SS**  trans78.8102.4173750000117.6
188S26.5Very low43.2Very low117 Ų11796.2 Ų96.282%0.81859%0.591SS**  168.8133.5123.145.90000109.1S190S188-S190 PolarHBondContact O-N 3.14Å
189H29Very low45Very low185 Ų18594.2 Ų94.286%0.85657%0.57SS**  trans-49.3118.9172.3-71.4-84000110.1P191H189-P191 WeakPolarHBondContact O-CD 3.44Å
190S37.5Very low47Very low104 Ų10488.4 Ų88.473%0.72754%0.535SS*.  trans-79.4100.7155.356.70000106S188 N192S188-S190 PolarHBondContact O-N 3.14Å; S190-N192 PolarHBondContact O-N 3.17Å
191P46Very low49.1Very low67 Ų6785.1 Ų85.144%0.43551%0.511SS..  trans-60.3129.6175.526.5-31.9000107.3H189 L193H189-P191 WeakPolarHBondContact O-CD 3.44Å; P191-L193 HydrophobicContact CG-CD1 4.46Å; P191-L193 PolarHBondContact O-N 3.37Å
192N52.5Low50.8Low108 Ų10882.1 Ų82.158%0.57848%0.484SS*.  trans-56.5104.3168.7-84.7-20.2000107.3P146 S190 L194P146-N192 WeakPolarHBondContact CG-O 3.41Å; S190-N192 PolarHBondContact O-N 3.17Å; N192-L194 PolarHBondContact O-N 2.89Å; N192-L194 VanDerWaalsContact O-N 3.12Å
193L59.3Low52.3Low57 Ų5777.6 Ų77.630%0.29845%0.451SS..  trans-73.44.2179.7-131.284.5000112.5L135 P191L135-L193 HydrophobicContact CD2-CB 4.32Å; L135-L193 HydrophobicContact CD2-CD2 4.02Å; P191-L193 HydrophobicContact CG-CD1 4.46Å; P191-L193 PolarHBondContact O-N 3.37Å
194L65.4Low53.8Low42 Ų4277 Ų7722%0.2244%0.439CS..PPolyproline II helixtrans-80.2132.4-171.2-66.6166.1000110.5P146 S172 N192P146-L194 VanDerWaalsContact CB-O 3.24Å; P146-L194 WeakPolarHBondContact CB-O 3.09Å; S172-L194 VanDerWaalsContact O-CD1 3.27Å; S172-L194 WeakPolarHBondContact O-CD1 3.37Å; N192-L194 PolarHBondContact O-N 2.89Å; N192-L194 VanDerWaalsContact O-N 3.12Å
195P69.4Low54.9Low18 Ų1873 Ų7312%0.11742%0.416CS..PPolyproline II helixtrans-66.8140.3179.929.2-36.1000110.9I134 P147 L149 L197I134-P195 HydrophobicContact CD1-CG 4.45Å; I134-P195 HydrophobicContact CG2-CB 4.02Å; I134-P195 HydrophobicContact CG2-CG 3.9Å; P147-P195 HydrophobicContact CG-CB 4.44Å; P147-P195 CarbonylContact O-C 3.6Å; P147-P195 WeakPolarHBondContact O-CA 3.38Å; P147-P195 WeakPolarHBondContact O-CB 3.28Å; L149-P195 HydrophobicContact CB-CB 4.08Å; P195-L197 PolarHBondContact O-N 3.01Å
196K74.5Confident55.5Low89 Ų8972.3 Ų72.339%0.38741%0.407SS..EExtended strand (participates in β ladder)trans-71.8118.6167.1-176.8173.9-177.2171.10107.9P147 I148 L149 L236P147-K196 PolarHBondContact O-N 3.31Å; P147-K196 VanDerWaalsContact O-N 3.12Å; I148-K196 CarbonylContact C-O 3.55Å; I148-K196 WeakPolarHBondContact CA-O 2.92Å; I148-K196 HydrophobicContact CG1-CB 4.18Å; I148-K196 HydrophobicContact CG2-CB 4.5Å; I148-K196 WeakPolarHBondContact CG2-O 3.23Å; L149-K196 PolarHBondContact N-O 2.92Å; K196-L236 HydrophobicContact CD-CD2 4.3Å
197L74.1Confident56Low29 Ų2972 Ų7215%0.15240%0.395CS..EExtended strand (participates in β ladder)trans-87.7126.6-178.2-63.1165.3000110.1L149 I151 Y165 L168 V169 P195L149-L197 HydrophobicContact CB-CD2 4.05Å; L149-L197 HydrophobicContact CD2-CD2 3.59Å; L149-L197 HydrophobicContact CG-CD2 4.31Å; I151-L197 HydrophobicContact CD1-CD2 4.48Å; Y165-L197 HydrophobicContact CD2-CB 3.98Å; Y165-L197 HydrophobicContact CD2-CD1 4.44Å; Y165-L197 HydrophobicContact CE2-CB 3.48Å; Y165-L197 VanDerWaalsContact CE2-CB 3.48Å; Y165-L197 HydrophobicContact CE2-CD1 4.33Å; L168-L197 HydrophobicContact CB-CD1 3.94Å; L168-L197 HydrophobicContact CB-CD2 4.36Å; L168-L197 HydrophobicContact CD1-CD2 4.07Å; V169-L197 HydrophobicContact CG2-CD1 3.52Å; P195-L197 PolarHBondContact O-N 3.01Å
198I77.2Confident56.2Low20 Ų2071.9 Ų71.910%0.10339%0.386CS..EExtended strand (participates in β ladder)trans-128.8149.4172.8-58.9-178.1000106.9I148 L149 L150 I151 P231 L236 W247I148-I198 HydrophobicContact CG2-CD1 3.56Å; I148-I198 HydrophobicContact CG2-CG1 3.95Å; L149-I198 PolarHBondContact O-N 3.02Å; L150-I198 CarbonylContact C-O 3.06Å; L150-I198 WeakPolarHBondContact CA-O 3.39Å; L150-I198 HydrophobicContact CD1-CB 4.14Å; L150-I198 HydrophobicContact CD1-CG2 3.76Å; I151-I198 PolarHBondContact N-O 3.22Å; I198-P231 HydrophobicContact CD1-CG 4.45Å; I198-P231 HydrophobicContact CG2-CG 3.47Å; I198-P231 VanDerWaalsContact CG2-CG 3.47Å; I198-L236 HydrophobicContact CD1-CD1 3.81Å; I198-W247 HydrophobicContact CD1-CH2 4.26Å; I198-W247 HydrophobicContact CD1-CZ3 4.25Å
199W76Confident56.5Low71 Ų7174.4 Ų74.427%0.26938%0.384SS..EExtended strand (participates in β ladder)trans-133.2157.8172.469.6-7.9000112.3I151 Y153 Q162I151-W199 HydrophobicContact CB-CB 4.05Å; I151-W199 CarbonylContact O-C 3.59Å; I151-W199 WeakPolarHBondContact O-CA 3.46Å; Y153-W199 HydrophobicContact CE1-CE3 4.3Å; Q162-W199 HydrophobicContact CB-CZ3 4.11Å; Q162-W199 HydrophobicContact CG-CE3 4.48Å; Q162-W199 HydrophobicContact CG-CH2 3.39Å; Q162-W199 HydrophobicContact CG-CZ3 3.21Å
200S75.7Confident56.5Low0 Ų069.7 Ų69.70%037%0.372CS..  trans-85.4147.1175.362.70000111.7I151 M152 Y153I151-S200 PolarHBondContact O-N 3.45Å; M152-S200 WeakPolarHBondContact CA-OG 3.38Å; Y153-S200 WeakPolarHBondContact CE1-O 3.32Å; Y153-S200 VanDerWaalsContact CZ-O 3.23Å; Y153-S200 PolarHBondContact OH-O 3.06Å; Y153-S200 VanDerWaalsContact OH-O 3.1Å
201E73.5Confident56Low52 Ų5270 Ų7024%0.24337%0.37CS..EExtended strand (participates in β ladder)trans-120.7157.5167.8-78.9-76-160.100110.1Y153 K158 Y203 L229Y153-E201 PolarHBondContact OH-OE2 3.49Å; Y153-E201 VanDerWaalsContact OH-OE2 3.04Å; K158-E201 VanDerWaalsContact NZ-CD 3.26Å; K158-E201 IonicContact NZ-OE1 3.98Å; K158-E201 PolarHBondContact NZ-OE1 3.4Å; K158-E201 IonicContact NZ-OE2 3.3Å; K158-E201 PolarHBondContact NZ-OE2 3.48Å; E201-Y203 PolarHBondContact O-N 3.2Å; E201-L229 PolarHBondContact O-N 3.31Å
202P66Low55.1Low23 Ų2369.8 Ų69.815%0.14936%0.364CS..EExtended strand (participates in β ladder)trans-62138175.822-26000110.2L95 F155 I204L95-P202 HydrophobicContact CD1-CB 3.97Å; F155-P202 HydrophobicContact CD1-CB 4.08Å; F155-P202 HydrophobicContact CD1-CG 4.33Å; F155-P202 HydrophobicContact CE1-CB 3.39Å; F155-P202 HydrophobicContact CE1-CG 3.99Å; F155-P202 HydrophobicContact CE2-CB 4.28Å; F155-P202 HydrophobicContact CZ-CB 3.52Å; P202-I204 HydrophobicContact CB-CG1 4.27Å; P202-I204 HydrophobicContact CG-CD1 4.34Å; P202-I204 HydrophobicContact CG-CG1 4.3Å; P202-I204 PolarHBondContact O-N 2.96Å; P202-I204 VanDerWaalsContact O-N 3.1Å
203Y62.1Low53.8Low53 Ų5373.3 Ų73.321%0.20838%0.377CS..  trans-72.1102.2166.8-174.8-124.5000109.8L95 E201 H205 L207 R227 L229L95-Y203 WeakPolarHBondContact CD1-O 3.44Å; E201-Y203 PolarHBondContact O-N 3.2Å; Y203-H205 AromaticContact CD1-NE2 3.9Å; Y203-H205 AromaticContact CE1-CE1 3.3Å; Y203-H205 WeakPolarHBondContact CE1-CE1 3.4Å; Y203-H205 AromaticContact CE1-ND1 3.72Å; Y203-H205 AromaticContact CE1-NE2 3.48Å; Y203-H205 WeakPolarHBondContact CE1-NE2 3.43Å; Y203-L207 HydrophobicContact CE2-CD1 4.02Å; Y203-R227 PolarHBondContact N-O 3.46Å; Y203-R227 VanDerWaalsContact N-O 3.12Å; Y203-L229 HydrophobicContact CD2-CD1 3.49Å; Y203-L229 VanDerWaalsContact CD2-CD1 3.49Å; Y203-L229 HydrophobicContact CD2-CD2 3.58Å; Y203-L229 HydrophobicContact CD2-CG 3.55Å; Y203-L229 HydrophobicContact CE2-CD1 4.16Å; Y203-L229 HydrophobicContact CE2-CD2 4.22Å; Y203-L229 HydrophobicContact CE2-CG 4.49Å; Y203-L229 HydrophobicContact CG-CD1 4.45Å; Y203-L229 HydrophobicContact CG-CD2 4.05Å; Y203-L229 HydrophobicContact CG-CG 4.08Å
204I58.1Low52.3Low80 Ų8075.4 Ų75.441%0.4140%0.396SS..  trans-100.3122172.2-51.9177.4000106.7P202 T206P202-I204 HydrophobicContact CB-CG1 4.27Å; P202-I204 HydrophobicContact CG-CD1 4.34Å; P202-I204 HydrophobicContact CG-CG1 4.3Å; P202-I204 PolarHBondContact O-N 2.96Å; P202-I204 VanDerWaalsContact O-N 3.1Å; I204-T206 HydrophobicContact CG2-CG2 3.87Å; I204-T206 VanDerWaalsContact CG2-OG1 3.22Å; I204-T206 WeakPolarHBondContact CG2-OG1 3.32Å; I204-T206 PolarHBondContact O-N 2.98Å
205H49.9Very low50.4Low68 Ų6876.9 Ų76.932%0.31541%0.411SS..SBendtrans-58.14.7177.1-79.8-79.5000114.7L95 E97 Y203 L207L95-H205 PolarHBondContact O-NE2 2.98Å; E97-H205 WeakPolarHBondContact CA-CE1 2.9Å; E97-H205 VanDerWaalsContact CA-NE2 3.28Å; E97-H205 WeakPolarHBondContact CA-NE2 3.47Å; E97-H205 WeakPolarHBondContact CB-CE1 2.89Å; E97-H205 VanDerWaalsContact CG-CE1 3.43Å; E97-H205 WeakPolarHBondContact CG-CE1 3.36Å; E97-H205 PolarHBondContact N-NE2 3.41Å; Y203-H205 AromaticContact CD1-NE2 3.9Å; Y203-H205 AromaticContact CE1-CE1 3.3Å; Y203-H205 WeakPolarHBondContact CE1-CE1 3.4Å; Y203-H205 AromaticContact CE1-ND1 3.72Å; Y203-H205 AromaticContact CE1-NE2 3.48Å; Y203-H205 WeakPolarHBondContact CE1-NE2 3.43Å; H205-L207 PolarHBondContact O-N 3.44Å
206T39.7Very low48.6Very low109 Ų10983.9 Ų83.967%0.66945%0.447SS*.  trans-86.638.617561.10000112.4I204 D208I204-T206 HydrophobicContact CG2-CG2 3.87Å; I204-T206 VanDerWaalsContact CG2-OG1 3.22Å; I204-T206 WeakPolarHBondContact CG2-OG1 3.32Å; I204-T206 PolarHBondContact O-N 2.98Å; T206-D208 PolarHBondContact O-N 3.33Å; T206-D208 VanDerWaalsContact O-N 3.12Å
207L37.7Very low46.6Very low104 Ų10487 Ų8755%0.54547%0.468SS..  trans-75.289.5153.8-81.3140.2000105.5Y203 H205 H209Y203-L207 HydrophobicContact CE2-CD1 4.02Å; H205-L207 PolarHBondContact O-N 3.44Å; L207-H209 PolarHBondContact O-N 2.92Å
208D30Very low44.6Very low113 Ų11391 Ų9160%0.60449%0.487SS*.  trans-46.4116.8163.9-88.2-30.5000107.5T206 S210 V211T206-D208 PolarHBondContact O-N 3.33Å; T206-D208 VanDerWaalsContact O-N 3.12Å; D208-S210 PolarHBondContact O-N 2.79Å; D208-V211 PolarHBondContact O-N 2.75Å; D208-V211 VanDerWaalsContact O-N 3.07Å
209H33.4Very low42.7Very low170 Ų17096 Ų9679%0.78751%0.514SS*.G310 helixtrans-54.3-12.2174.5-89.7-73.1000112.5L207L207-H209 PolarHBondContact O-N 2.92Å
210S27.8Very low41.1Very low86 Ų8699 Ų9960%0.60154%0.535SS*.G310 helixtrans-79.6-15.4176.961.50000115.9D208 I212D208-S210 PolarHBondContact O-N 2.79Å; S210-I212 VanDerWaalsContact C-N 3.28Å
211V27.5Very low40.1Very low111 Ų11199.6 Ų99.667%0.67354%0.54SS*.G310 helixtrans-86.4-3.4175.3-175.20000111.9D208D208-V211 PolarHBondContact O-N 2.75Å; D208-V211 VanDerWaalsContact O-N 3.07Å
212I27.9Very low39.4Very low63 Ų63102.5 Ų102.532%0.32355%0.548SS..SBendtrans-95.4-4.7178.7-61170.1000112.3S210 S214S210-I212 VanDerWaalsContact C-N 3.28Å; I212-S214 PolarHBondContact O-N 3.48Å; I212-S214 VanDerWaalsContact O-N 3.14Å
213E24.6Very low39.2Very low182 Ų182102.3 Ų102.385%0.8555%0.546SS*.THydrogen-bonded Turntrans-76.57.6174.3-74-167166.400114.8
214S27.5Very low39.4Very low100 Ų100102 Ų10270%0.69954%0.544SS*.THydrogen-bonded Turntrans-135.552.317771.30000114.1I212I212-S214 PolarHBondContact O-N 3.48Å; I212-S214 VanDerWaalsContact O-N 3.14Å
215S26.2Very low39.6Very low74 Ų7498.3 Ų98.352%0.51753%0.526SS..  trans163.8113143.2570000109.3N217S215-N217 PolarHBondContact O-N 3.35Å
216D32.4Very low40.3Very low165 Ų16595.5 Ų95.588%0.88252%0.515SS*.THydrogen-bonded Turntrans-62.818.3-171.8-78.8-35.3000117.3
217N31.7Very low41.7Very low154 Ų15491.3 Ų91.382%0.82449%0.487SS*.THydrogen-bonded Turntrans-134.28.2-173.9-85.7-25000117.2S215S215-N217 PolarHBondContact O-N 3.35Å
218M31.5Very low43Very low113 Ų11387 Ų8756%0.55746%0.464SS*.  trans-970.6-176.7-85.8-73.9168.500116.3N220 S221M218-N220 VanDerWaalsContact C-N 3.3Å; M218-N220 PolarHBondContact O-N 2.94Å; M218-S221 PolarHBondContact O-OG 2.8Å; M218-S221 VanDerWaalsContact O-OG 3.08Å
219N37.6Very low44.5Very low124 Ų12482.8 Ų82.866%0.66344%0.442SS*.THydrogen-bonded Turntrans-74.1-12.8-176.9-89.2-9.5000115.3
220N42.8Very low45.9Very low135 Ų13574.8 Ų74.872%0.72241%0.405SS*.THydrogen-bonded Turntrans-1038.4-177.1-78.8-15.1000114.5M218 Y232M218-N220 VanDerWaalsContact C-N 3.3Å; M218-N220 PolarHBondContact O-N 2.94Å; N220-Y232 WeakPolarHBondContact O-CB 3.48Å
221S55.1Low47.1Very low13 Ų1372.1 Ų72.19%0.09139%0.386CS..SBendtrans-90.41.4-169.662.90000115.4M218 P231 Y232 D235M218-S221 PolarHBondContact O-OG 2.8Å; M218-S221 VanDerWaalsContact O-OG 3.08Å; S221-P231 CarbonylContact O-C 3.57Å; S221-P231 VanDerWaalsContact O-C 3.31Å; S221-P231 WeakPolarHBondContact O-CA 3.49Å; S221-Y232 PolarHBondContact O-N 2.93Å; S221-D235 WeakPolarHBondContact CB-OD2 3.42Å
222W58Low48.2Very low113 Ų11371.7 Ų71.743%0.42837%0.372SS..EExtended strand (participates in β ladder)trans-136.3124.3179.8-6281.9000113.5L229 I230 P231 R432W222-L229 HydrophobicContact CB-CB 4.34Å; W222-L229 HydrophobicContact CB-CD1 4.17Å; W222-L229 HydrophobicContact CB-CD2 4.21Å; W222-L229 HydrophobicContact CB-CG 4.49Å; W222-L229 HydrophobicContact CD2-CB 4.22Å; W222-L229 HydrophobicContact CD2-CD1 4.27Å; W222-L229 HydrophobicContact CE3-CB 3.51Å; W222-L229 HydrophobicContact CE3-CD1 4.3Å; W222-L229 HydrophobicContact CG-CD1 4.25Å; W222-L229 HydrophobicContact CZ3-CB 4.13Å; W222-I230 CarbonylContact C-O 3.56Å; W222-I230 WeakPolarHBondContact CA-O 3.48Å; W222-P231 HydrophobicContact CE3-CB 4.34Å; W222-P231 HydrophobicContact CZ3-CB 4.49Å; W222-R432 PolarHBondContact O-NH2 3.43Å
223I62.8Low49.2Very low18 Ų1870.1 Ų70.19%0.09236%0.364CS..EExtended strand (participates in β ladder)trans-82.7126.8165.9-55.4175.1000110.1C225 L229 I230 Y232 L272I223-C225 VanDerWaalsContact CG2-SG 3.57Å; I223-L229 CarbonylContact O-C 3.54Å; I223-L229 WeakPolarHBondContact O-CA 3.5Å; I223-I230 PolarHBondContact N-O 2.86Å; I223-I230 PolarHBondContact O-N 2.96Å; I223-Y232 HydrophobicContact CD1-CD2 3.2Å; I223-Y232 HydrophobicContact CD1-CE2 3.68Å; I223-Y232 HydrophobicContact CD1-CG 4.2Å; I223-Y232 HydrophobicContact CG1-CD2 3.36Å; I223-Y232 HydrophobicContact CG1-CE2 4.14Å; I223-Y232 HydrophobicContact CG1-CG 3.87Å; I223-L272 HydrophobicContact CD1-CD2 3.78Å
224R64.8Low50.2Low46 Ų4668.6 Ų68.617%0.17436%0.355CS..EExtended strand (participates in β ladder)trans-79.3120.1163.7-175.6176.6174.6-146.8-9.3110.6S96 G226 L228 L229 D423S96-R224 VanDerWaalsContact CA-NH2 3.35Å; S96-R224 PolarHBondContact OG-NH2 2.95Å; R224-G226 PolarHBondContact NE-O 3.38Å; R224-L228 WeakPolarHBondContact CA-O 3.3Å; R224-L229 HydrophobicContact CB-CD2 4.01Å; R224-D423 IonicContact CZ-OD2 3.1Å; R224-D423 IonicContact NH1-OD2 2.91Å; R224-D423 PolarHBondContact NH1-OD2 3.39Å; R224-D423 IonicContact NH2-OD2 3.52Å
225C63.5Low51.1Low3 Ų367 Ų672%0.0234%0.338CS..EExtended strand (participates in β ladder)trans-117.289.5174.2-61.40000108.4I223 R227 L228 I230 C271I223-C225 VanDerWaalsContact CG2-SG 3.57Å; C225-R227 PolarHBondContact O-N 3.28Å; C225-L228 PolarHBondContact N-O 2.85Å; C225-L228 PolarHBondContact O-N 2.76Å; C225-L228 VanDerWaalsContact O-N 3.13Å; C225-I230 HydrophobicContact CB-CD1 3.85Å; C225-I230 HydrophobicContact CB-CG1 4.48Å; C225-I230 WeakPolarHBondContact SG-CD1 3.45Å; C225-C271 HydrophobicContact CB-CB 4.01Å; C225-C271 WeakPolarHBondContact SG-CB 3.24Å
226G64.8Low52.1Low9 Ų964.5 Ų64.59%0.09332%0.319CS..THydrogen-bonded Turntrans63.4-106.6-172.300000112R224R224-G226 PolarHBondContact NE-O 3.38Å
227R67.7Low52.6Low22 Ų2258.6 Ų58.68%0.08329%0.287CS..THydrogen-bonded Turntrans-91.4-15.1179.3-54.6168.1-156.8-141.70.3114.3R92 A93 L95 F155 Y203 C225 E376R92-R227 VanDerWaalsContact NE-NH2 3.12Å; A93-R227 WeakPolarHBondContact O-CD 3Å; A93-R227 WeakPolarHBondContact O-CG 3.28Å; A93-R227 PolarHBondContact O-NE 3.43Å; A93-R227 PolarHBondContact O-NH1 3.01Å; L95-R227 HydrophobicContact CD1-CB 4.19Å; F155-R227 HydrophobicContact CE2-CB 3.92Å; F155-R227 HydrophobicContact CZ-CB 3.93Å; Y203-R227 PolarHBondContact N-O 3.46Å; Y203-R227 VanDerWaalsContact N-O 3.12Å; C225-R227 PolarHBondContact O-N 3.28Å; R227-E376 HydrophobicContact CG-CG 3.88Å; R227-E376 WeakPolarHBondContact CG-OE1 3.21Å; R227-E376 IonicContact CZ-OE2 3.83Å; R227-E376 IonicContact NE-OE1 3.54Å; R227-E376 PolarHBondContact NE-OE1 2.89Å; R227-E376 VanDerWaalsContact NE-OE1 3.1Å; R227-E376 IonicContact NE-OE2 2.74Å; R227-E376 PolarHBondContact NE-OE2 3.45Å; R227-E376 IonicContact NH2-OE2 3.74Å; R227-E376 PolarHBondContact NH2-OE2 3.03Å
228L65.6Low53.2Low12 Ų1255.5 Ų55.56%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-105144.5-168-66.8171.3000110.2M152 F155 R224 C225 I268M152-L228 HydrophobicContact CB-CD1 4.46Å; M152-L228 HydrophobicContact CE-CB 3.96Å; M152-L228 HydrophobicContact CE-CD1 3.33Å; M152-L228 HydrophobicContact CE-CG 4.26Å; F155-L228 HydrophobicContact CD1-CD2 4.3Å; F155-L228 HydrophobicContact CE1-CD2 3.23Å; F155-L228 HydrophobicContact CE1-CG 4.45Å; F155-L228 HydrophobicContact CZ-CD2 3.47Å; F155-L228 VanDerWaalsContact CZ-CD2 3.47Å; F155-L228 HydrophobicContact CZ-CG 4.3Å; R224-L228 WeakPolarHBondContact CA-O 3.3Å; C225-L228 PolarHBondContact N-O 2.85Å; C225-L228 PolarHBondContact O-N 2.76Å; C225-L228 VanDerWaalsContact O-N 3.13Å; L228-I268 HydrophobicContact CD1-CD1 4.22Å
229L61.1Low53.8Low25 Ų2556.1 Ų56.113%0.13128%0.279CS..EExtended strand (participates in β ladder)trans-96.8139.4163.5-70.2-174000110E201 Y203 W222 I223 R224E201-L229 PolarHBondContact O-N 3.31Å; Y203-L229 HydrophobicContact CD2-CD1 3.49Å; Y203-L229 VanDerWaalsContact CD2-CD1 3.49Å; Y203-L229 HydrophobicContact CD2-CD2 3.58Å; Y203-L229 HydrophobicContact CD2-CG 3.55Å; Y203-L229 HydrophobicContact CE2-CD1 4.16Å; Y203-L229 HydrophobicContact CE2-CD2 4.22Å; Y203-L229 HydrophobicContact CE2-CG 4.49Å; Y203-L229 HydrophobicContact CG-CD1 4.45Å; Y203-L229 HydrophobicContact CG-CD2 4.05Å; Y203-L229 HydrophobicContact CG-CG 4.08Å; W222-L229 HydrophobicContact CB-CB 4.34Å; W222-L229 HydrophobicContact CB-CD1 4.17Å; W222-L229 HydrophobicContact CB-CD2 4.21Å; W222-L229 HydrophobicContact CB-CG 4.49Å; W222-L229 HydrophobicContact CD2-CB 4.22Å; W222-L229 HydrophobicContact CD2-CD1 4.27Å; W222-L229 HydrophobicContact CE3-CB 3.51Å; W222-L229 HydrophobicContact CE3-CD1 4.3Å; W222-L229 HydrophobicContact CG-CD1 4.25Å; W222-L229 HydrophobicContact CZ3-CB 4.13Å; I223-L229 CarbonylContact O-C 3.54Å; I223-L229 WeakPolarHBondContact O-CA 3.5Å; R224-L229 HydrophobicContact CB-CD2 4.01Å
230I63.3Low53.9Low2 Ų253.4 Ų53.41%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-124.9130.7176.5-54.3179000107L150 M152 W222 I223 C225 Y232 L272L150-I230 HydrophobicContact CD1-CG2 4.08Å; L150-I230 HydrophobicContact CD2-CD1 4.07Å; L150-I230 HydrophobicContact CD2-CG2 3.88Å; M152-I230 HydrophobicContact CE-CD1 3.64Å; M152-I230 HydrophobicContact CE-CG1 4.13Å; M152-I230 HydrophobicContact SD-CD1 3.75Å; W222-I230 CarbonylContact C-O 3.56Å; W222-I230 WeakPolarHBondContact CA-O 3.48Å; I223-I230 PolarHBondContact N-O 2.86Å; I223-I230 PolarHBondContact O-N 2.96Å; C225-I230 HydrophobicContact CB-CD1 3.85Å; C225-I230 HydrophobicContact CB-CG1 4.48Å; C225-I230 WeakPolarHBondContact SG-CD1 3.45Å; I230-Y232 PolarHBondContact O-N 3.29Å; I230-L272 HydrophobicContact CD1-CD1 3.15Å; I230-L272 HydrophobicContact CD1-CD2 4.06Å; I230-L272 HydrophobicContact CD1-CG 3.78Å; I230-L272 HydrophobicContact CG1-CD1 4.5Å; I230-L272 HydrophobicContact CG2-CD1 4.44Å; I230-L272 HydrophobicContact CG2-CD2 4.45Å
231P53.9Low54.2Low31 Ų3154.2 Ų54.220%0.20127%0.269CS..EExtended strand (participates in β ladder)trans-62.5123.7177.624.8-32000110.1I198 S221 W222I198-P231 HydrophobicContact CD1-CG 4.45Å; I198-P231 HydrophobicContact CG2-CG 3.47Å; I198-P231 VanDerWaalsContact CG2-CG 3.47Å; S221-P231 CarbonylContact O-C 3.57Å; S221-P231 VanDerWaalsContact O-C 3.31Å; S221-P231 WeakPolarHBondContact O-CA 3.49Å; W222-P231 HydrophobicContact CE3-CB 4.34Å; W222-P231 HydrophobicContact CZ3-CB 4.49Å
232Y49.4Very low53.9Low101 Ų10160.1 Ų60.140%0.39630%0.3SS..  trans-71.8142.5-180-170.1-131.3000111.4N220 S221 I223 I230 F234N220-Y232 WeakPolarHBondContact O-CB 3.48Å; S221-Y232 PolarHBondContact O-N 2.93Å; I223-Y232 HydrophobicContact CD1-CD2 3.2Å; I223-Y232 HydrophobicContact CD1-CE2 3.68Å; I223-Y232 HydrophobicContact CD1-CG 4.2Å; I223-Y232 HydrophobicContact CG1-CD2 3.36Å; I223-Y232 HydrophobicContact CG1-CE2 4.14Å; I223-Y232 HydrophobicContact CG1-CG 3.87Å; I230-Y232 PolarHBondContact O-N 3.29Å; Y232-F234 HydrophobicContact CD1-CB 4.23Å; Y232-F234 HydrophobicContact CE1-CB 4.44Å; Y232-F234 PolarHBondContact O-N 3.27Å; Y232-F234 VanDerWaalsContact O-N 3.08Å
233Q49.5Very low53.7Low31 Ų3159 Ų5915%0.14530%0.302CS..THydrogen-bonded Turntrans-61-17.5-168.4-172.7174.3-16.200115.8D235 L236 D237 W247Q233-D235 PolarHBondContact O-N 3.18Å; Q233-D235 VanDerWaalsContact O-N 3.16Å; Q233-L236 WeakPolarHBondContact O-CA 3.49Å; Q233-L236 PolarHBondContact O-N 2.79Å; Q233-D237 PolarHBondContact NE2-OD1 3.07Å; Q233-D237 VanDerWaalsContact NE2-OD1 3.14Å; Q233-D237 PolarHBondContact NE2-OD2 2.71Å; Q233-D237 PolarHBondContact O-N 3.14Å; Q233-W247 HydrophobicContact CB-CZ2 4.39Å; Q233-W247 HydrophobicContact CG-CZ2 4.24Å
234F46Very low53.4Low150 Ų15066.9 Ų66.966%0.65834%0.335SS*.Hα-helixtrans-59.9-31.4-176.8-151.2-92000112.9Y232 L236 T238Y232-F234 HydrophobicContact CD1-CB 4.23Å; Y232-F234 HydrophobicContact CE1-CB 4.44Å; Y232-F234 PolarHBondContact O-N 3.27Å; Y232-F234 VanDerWaalsContact O-N 3.08Å; F234-L236 VanDerWaalsContact C-N 3.34Å; F234-T238 HydrophobicContact CD1-CG2 4.5Å; F234-T238 HydrophobicContact CE1-CG2 4.46Å; F234-T238 VanDerWaalsContact O-CG2 3.29Å; F234-T238 WeakPolarHBondContact O-CG2 3.43Å; F234-T238 PolarHBondContact O-OG1 2.98Å
235D46.4Very low53.4Low67 Ų6766 Ų6636%0.35833%0.333SS..Hα-helixtrans-80.2-12174.1-78.7-24.4000114S221 Q233 T238S221-D235 WeakPolarHBondContact CB-OD2 3.42Å; Q233-D235 PolarHBondContact O-N 3.18Å; Q233-D235 VanDerWaalsContact O-N 3.16Å; D235-T238 VanDerWaalsContact C-OG1 3.32Å; D235-T238 WeakPolarHBondContact CA-OG1 2.93Å; D235-T238 PolarHBondContact O-OG1 3.12Å
236L45.7Very low54Low20 Ų2067 Ų6711%0.10534%0.341CS..Hα-helixtrans-96.1-36.5-179.7-69.2168000112.4I148 K196 I198 Q233 F234 L239 W247I148-L236 HydrophobicContact CD1-CD1 4.27Å; K196-L236 HydrophobicContact CD-CD2 4.3Å; I198-L236 HydrophobicContact CD1-CD1 3.81Å; Q233-L236 WeakPolarHBondContact O-CA 3.49Å; Q233-L236 PolarHBondContact O-N 2.79Å; F234-L236 VanDerWaalsContact C-N 3.34Å; L236-L239 WeakPolarHBondContact O-CB 2.9Å; L236-L239 PolarHBondContact O-N 3.21Å; L236-W247 HydrophobicContact CD1-CH2 3.55Å; L236-W247 HydrophobicContact CD1-CZ2 3.8Å
237D44.3Very low54.7Low41 Ų4167.4 Ų67.422%0.21934%0.339CS..Hα-helixtrans-70.5-34.2174.8-69.6-16.1000111.5Q233 L239 N240 N241Q233-D237 PolarHBondContact NE2-OD1 3.07Å; Q233-D237 VanDerWaalsContact NE2-OD1 3.14Å; Q233-D237 PolarHBondContact NE2-OD2 2.71Å; Q233-D237 PolarHBondContact O-N 3.14Å; D237-L239 VanDerWaalsContact C-N 3.28Å; D237-L239 PolarHBondContact O-N 2.79Å; D237-N240 CarbonylContact O-C 3.45Å; D237-N240 PolarHBondContact O-N 3.08Å; D237-N240 VanDerWaalsContact O-N 3.16Å; D237-N241 PolarHBondContact O-N 3.33Å
238T44.7Very low55.5Low90 Ų9066.7 Ų66.755%0.55234%0.337SS*.THydrogen-bonded Turntrans-66-29.6171.148.90000112.6F234 D235 N240F234-T238 HydrophobicContact CD1-CG2 4.5Å; F234-T238 HydrophobicContact CE1-CG2 4.46Å; F234-T238 VanDerWaalsContact O-CG2 3.29Å; F234-T238 WeakPolarHBondContact O-CG2 3.43Å; F234-T238 PolarHBondContact O-OG1 2.98Å; D235-T238 VanDerWaalsContact C-OG1 3.32Å; D235-T238 WeakPolarHBondContact CA-OG1 2.93Å; D235-T238 PolarHBondContact O-OG1 3.12Å; T238-N240 PolarHBondContact O-N 3.47Å
239L43.6Very low56.6Low126 Ų12666.1 Ų66.166%0.6633%0.334SS*.THydrogen-bonded Turntrans-70.8-16.8174.1-126.184.7000112.9L236 D237L236-L239 WeakPolarHBondContact O-CB 2.9Å; L236-L239 PolarHBondContact O-N 3.21Å; D237-L239 VanDerWaalsContact C-N 3.28Å; D237-L239 PolarHBondContact O-N 2.79Å
240N39.8Very low58.1Low66 Ų6664.9 Ų64.935%0.35333%0.328SS..THydrogen-bonded Turntrans-149.560.3-169.9-144.911.5000114.5D237 T238 N242 N243 H245D237-N240 CarbonylContact O-C 3.45Å; D237-N240 PolarHBondContact O-N 3.08Å; D237-N240 VanDerWaalsContact O-N 3.16Å; T238-N240 PolarHBondContact O-N 3.47Å; N240-N242 PolarHBondContact O-N 3.03Å; N240-N243 PolarHBondContact O-N 2.88Å; N240-N243 VanDerWaalsContact O-N 3.08Å; N240-H245 PolarHBondContact ND2-NE2 3.36Å
241N47.8Very low59.4Low152 Ų15265.1 Ų65.181%0.81333%0.328SS*.THydrogen-bonded Turntrans37.745.9163.3-75.9-12.5000115.5D237 N243D237-N241 PolarHBondContact O-N 3.33Å; N241-N243 PolarHBondContact O-N 3.15Å; N241-N243 VanDerWaalsContact O-N 3.13Å
242N50.1Low61.2Low138 Ų13863.7 Ų63.774%0.73832%0.319SS*.THydrogen-bonded Turntrans59.217.1176.2-63-20.9000117.1N240 K244N240-N242 PolarHBondContact O-N 3.03Å; N242-K244 PolarHBondContact O-N 3.2Å
243N52.1Low63Low88 Ų8858.9 Ų58.947%0.47130%0.3SS..  trans-79.6117.9171.7-81-21.4000110.2T145 N240 N241 H245T145-N243 HydrophobicContact CG2-CB 4.3Å; N240-N243 PolarHBondContact O-N 2.88Å; N240-N243 VanDerWaalsContact O-N 3.08Å; N241-N243 PolarHBondContact O-N 3.15Å; N241-N243 VanDerWaalsContact O-N 3.13Å; N243-H245 PolarHBondContact O-N 3.24Å; N243-H245 VanDerWaalsContact O-N 3.08Å
244K58.5Low64.5Low184 Ų18457.9 Ų57.980%0.830%0.295SS*.  trans-63.2109.1176.7-72.2-175177.3-176.20110.5N242N242-K244 PolarHBondContact O-N 3.2Å
245H63.4Low65.5Low27 Ų2751.6 Ų51.613%0.12527%0.27CS..PPolyproline II helixtrans-66143.3168.6-79-79.9000111.1P146 I148 N240 N243P146-H245 PolarHBondContact O-ND1 2.87Å; P146-H245 VanDerWaalsContact O-ND1 3.1Å; I148-H245 HydrophobicContact CD1-CB 3.63Å; I148-H245 HydrophobicContact CG1-CB 3.84Å; N240-H245 PolarHBondContact ND2-NE2 3.36Å; N243-H245 PolarHBondContact O-N 3.24Å; N243-H245 VanDerWaalsContact O-N 3.08Å
246S75.8Confident66.3Low26 Ų2654.5 Ų54.518%0.18228%0.279CS..PPolyproline II helixtrans-79.6121.8167.4-176.10000109.3P147 I148 K279P147-S246 CarbonylContact C-O 3.59Å; P147-S246 WeakPolarHBondContact CA-O 3.44Å; P147-S246 WeakPolarHBondContact CB-O 3.28Å; I148-S246 PolarHBondContact N-O 3.4Å; S246-K279 PolarHBondContact OG-NZ 3.44Å
247W79.5Confident66.6Low17 Ų1757.4 Ų57.46%0.06429%0.292CS..EExtended strand (participates in β ladder)trans-91.1139.2178-67.477.9000111.7I148 L150 I198 Q233 L236 E274 I275 K279I148-W247 HydrophobicContact CB-CD2 4.21Å; I148-W247 HydrophobicContact CB-CE3 4.1Å; I148-W247 HydrophobicContact CB-CZ3 4.45Å; I148-W247 HydrophobicContact CD1-CD2 4.46Å; I148-W247 HydrophobicContact CD1-CH2 4.3Å; I148-W247 HydrophobicContact CD1-CZ2 3.95Å; I148-W247 HydrophobicContact CG2-CD2 4.4Å; I148-W247 HydrophobicContact CG2-CE3 3.82Å; I148-W247 HydrophobicContact CG2-CH2 4.28Å; I148-W247 HydrophobicContact CG2-CZ3 3.76Å; L150-W247 HydrophobicContact CB-CE3 4.48Å; I198-W247 HydrophobicContact CD1-CH2 4.26Å; I198-W247 HydrophobicContact CD1-CZ3 4.25Å; Q233-W247 HydrophobicContact CB-CZ2 4.39Å; Q233-W247 HydrophobicContact CG-CZ2 4.24Å; L236-W247 HydrophobicContact CD1-CH2 3.55Å; L236-W247 HydrophobicContact CD1-CZ2 3.8Å; W247-E274 HydrophobicContact CG-CB 4.43Å; W247-I275 HydrophobicContact CB-CD1 4.23Å; W247-I275 HydrophobicContact CB-CG1 3.73Å; W247-K279 WeakPolarHBondContact O-CD 3.34Å
248M86Confident67.1Low6 Ų660 Ų603%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-121.9151.3166.7-66.8-178.173.800109.1I134 Y137 P147 I148 L149 L150 K279 I281I134-M248 HydrophobicContact CB-SD 4.48Å; I134-M248 HydrophobicContact CG1-CE 4.1Å; I134-M248 HydrophobicContact CG1-SD 4.2Å; I134-M248 HydrophobicContact CG2-SD 4.13Å; Y137-M248 HydrophobicContact CD1-CG 4.49Å; Y137-M248 HydrophobicContact CD1-SD 3.9Å; Y137-M248 HydrophobicContact CG-CE 4.32Å; Y137-M248 HydrophobicContact CG-SD 4.16Å; P147-M248 HydrophobicContact CB-CG 4.35Å; P147-M248 HydrophobicContact CB-SD 4.34Å; P147-M248 HydrophobicContact CG-SD 4.33Å; I148-M248 PolarHBondContact O-N 3.3Å; L149-M248 WeakPolarHBondContact CA-O 3.36Å; L149-M248 HydrophobicContact CD1-CB 3.91Å; L150-M248 PolarHBondContact N-O 3.2Å; M248-K279 WeakPolarHBondContact CA-O 3.35Å; M248-K279 HydrophobicContact CG-CB 4.33Å; M248-I281 HydrophobicContact CE-CD1 4.06Å
249M88.5Confident67.6Low0 Ų062.2 Ų62.20%031%0.314CS..EExtended strand (participates in β ladder)trans-121.1134175.5-175.5172.870.800110.9L150 M152 V265 I268 L269 I275 K279 T280 I281L150-M249 CarbonylContact O-C 3.48Å; L150-M249 VanDerWaalsContact O-CA 3.29Å; L150-M249 WeakPolarHBondContact O-CA 3.12Å; M152-M249 HydrophobicContact CB-SD 4.45Å; M152-M249 HydrophobicContact CG-CG 4.23Å; M152-M249 HydrophobicContact CG-SD 4.07Å; M152-M249 HydrophobicContact SD-CG 4.38Å; M152-M249 HydrophobicContact SD-SD 3.54Å; M249-V265 HydrophobicContact CE-CG1 3.67Å; M249-I268 HydrophobicContact CE-CG2 4.19Å; M249-I268 HydrophobicContact SD-CG2 3.52Å; M249-I268 VanDerWaalsContact SD-CG2 3.52Å; M249-L269 HydrophobicContact CE-CD2 3.57Å; M249-L269 HydrophobicContact CE-CG 4.06Å; M249-L269 HydrophobicContact SD-CD2 4.5Å; M249-I275 HydrophobicContact CB-CD1 3.87Å; M249-I275 HydrophobicContact CB-CG2 3.77Å; M249-K279 PolarHBondContact N-O 3.34Å; M249-T280 HydrophobicContact CB-CG2 4.45Å; M249-T280 HydrophobicContact CE-CG2 3.26Å; M249-T280 CarbonylContact O-C 3.59Å; M249-T280 WeakPolarHBondContact O-CA 3.48Å; M249-I281 PolarHBondContact O-N 3.05Å
250L91.5Very high68.4Low0 Ų061.4 Ų61.40%031%0.311CS..EExtended strand (participates in β ladder)trans-106.2113.7162.7171.860.8000107.9L130 L149 L150 I151 M152 I164 I252 I281 F283L130-L250 HydrophobicContact CD1-CD1 4.3Å; L130-L250 HydrophobicContact CD1-CD2 3.66Å; L130-L250 HydrophobicContact CD2-CD1 3.77Å; L130-L250 HydrophobicContact CD2-CD2 4.27Å; L149-L250 HydrophobicContact CD1-CB 4.15Å; L150-L250 PolarHBondContact O-N 3.31Å; I151-L250 CarbonylContact C-O 3.56Å; I151-L250 WeakPolarHBondContact CA-O 3.06Å; I151-L250 HydrophobicContact CG1-CB 4.47Å; I151-L250 HydrophobicContact CG1-CD2 4.35Å; I151-L250 HydrophobicContact CG2-CD2 4.39Å; M152-L250 PolarHBondContact N-O 2.56Å; I164-L250 HydrophobicContact CG2-CD2 4.11Å; L250-I252 HydrophobicContact CD1-CG1 4.47Å; L250-I252 HydrophobicContact CD2-CD1 4.16Å; L250-I252 HydrophobicContact CD2-CG1 4.22Å; L250-I252 HydrophobicContact CG-CD1 4.42Å; L250-I252 HydrophobicContact CG-CG1 3.97Å; L250-I281 WeakPolarHBondContact CA-O 3.3Å; L250-I281 HydrophobicContact CD1-CB 4.25Å; L250-I281 HydrophobicContact CD1-CG2 3.92Å; L250-F283 HydrophobicContact CD1-CB 3.93Å
251Y90.7Very high69.7Low7 Ų759.2 Ų59.23%0.02730%0.299CS..EExtended strand (participates in β ladder)trans-97.3122.8171.4179.1-95.2000110.4M152 T255 V265 I268 I281 L282 F283M152-Y251 HydrophobicContact CB-CD2 4.18Å; M152-Y251 CarbonylContact O-C 3.55Å; M152-Y251 VanDerWaalsContact O-CA 3.32Å; M152-Y251 WeakPolarHBondContact O-CA 3.48Å; Y251-T255 HydrophobicContact CD1-CG2 4.03Å; Y251-T255 HydrophobicContact CE1-CG2 3.72Å; Y251-V265 HydrophobicContact CD1-CG2 3.42Å; Y251-V265 VanDerWaalsContact CD1-CG2 3.42Å; Y251-V265 HydrophobicContact CD2-CG1 4.46Å; Y251-V265 HydrophobicContact CD2-CG2 3.93Å; Y251-V265 HydrophobicContact CE1-CG2 3.44Å; Y251-V265 VanDerWaalsContact CE1-CG2 3.44Å; Y251-V265 HydrophobicContact CE2-CG2 3.96Å; Y251-V265 HydrophobicContact CG-CG1 4.21Å; Y251-V265 HydrophobicContact CG-CG2 3.65Å; Y251-I268 HydrophobicContact CD2-CD1 4Å; Y251-I268 HydrophobicContact CE2-CD1 3.97Å; Y251-I281 PolarHBondContact N-O 2.87Å; Y251-L282 HydrophobicContact CD1-CD2 4.23Å; Y251-L282 HydrophobicContact CG-CD2 4.45Å; Y251-F283 PolarHBondContact O-N 2.97Å
252I91.3Very high70.9Confident0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-106.4102.8179.7-55.8175.4000108.6I151 M152 Y153 D154 F157 I160 A161 I164 L250 F283 P285I151-I252 HydrophobicContact CG2-CD1 3.62Å; I151-I252 HydrophobicContact CG2-CG1 4.33Å; M152-I252 PolarHBondContact O-N 2.92Å; Y153-I252 CarbonylContact C-O 3.51Å; Y153-I252 WeakPolarHBondContact CA-O 3.49Å; D154-I252 PolarHBondContact N-O 3.41Å; F157-I252 HydrophobicContact CB-CG2 4.02Å; I160-I252 HydrophobicContact CG2-CG2 4.49Å; A161-I252 HydrophobicContact CB-CD1 3.74Å; I164-I252 HydrophobicContact CD1-CD1 3.97Å; L250-I252 HydrophobicContact CD1-CG1 4.47Å; L250-I252 HydrophobicContact CD2-CD1 4.16Å; L250-I252 HydrophobicContact CD2-CG1 4.22Å; L250-I252 HydrophobicContact CG-CD1 4.42Å; L250-I252 HydrophobicContact CG-CG1 3.97Å; I252-F283 CarbonylContact C-O 3.56Å; I252-F283 WeakPolarHBondContact CA-O 3.38Å; I252-F283 HydrophobicContact CB-CD1 4.46Å; I252-F283 HydrophobicContact CG1-CD1 4.15Å; I252-F283 HydrophobicContact CG2-CD1 3.89Å; I252-F283 HydrophobicContact CG2-CE1 4.34Å; I252-P285 HydrophobicContact CG2-CG 3.51Å
253G88Confident72.2Confident0 Ų047.8 Ų47.80%024%0.237CC..SBendtrans179.5163.7-178.800000113T255 F283 D284G253-T255 PolarHBondContact O-N 3.24Å; G253-F283 PolarHBondContact N-O 2.88Å; G253-D284 WeakPolarHBondContact O-CA 3.47Å
254H79.9Confident73.3Confident10 Ų1044 Ų445%0.04622%0.218CC..  trans-78.2116.8178-164.660.8000109.8F157 E257 D261 D284 I286F157-H254 HydrophobicContact CE2-CB 4.49Å; H254-E257 WeakPolarHBondContact NE2-CB 3.36Å; H254-E257 VanDerWaalsContact NE2-CD 3.32Å; H254-E257 WeakPolarHBondContact NE2-CG 3.24Å; H254-E257 IonicContact NE2-OE1 3.28Å; H254-E257 IonicContact NE2-OE2 3.62Å; H254-D261 VanDerWaalsContact O-CB 3.31Å; H254-D261 WeakPolarHBondContact O-CB 3.21Å; H254-D284 IonicContact CE1-OD1 2.57Å; H254-D284 IonicContact CE1-OD2 3.96Å; H254-D284 PolarHBondContact CE1-OD2 3.13Å; H254-D284 VanDerWaalsContact CE1-OD2 3.28Å; H254-D284 IonicContact CG-OD1 3.51Å; H254-D284 IonicContact ND1-OD1 3.77Å; H254-D284 PolarHBondContact ND1-OD1 3.48Å; H254-D284 IonicContact ND1-OD2 3.4Å; H254-D284 PolarHBondContact ND1-OD2 2.69Å; H254-I286 HydrophobicContact CB-CD1 4.12Å
255T68Low74.4Confident19 Ų1935.2 Ų35.212%0.11718%0.18CC..  trans-115.9-6.3-175.153.80000114.3Y251 G253 V265Y251-T255 HydrophobicContact CD1-CG2 4.03Å; Y251-T255 HydrophobicContact CE1-CG2 3.72Å; G253-T255 PolarHBondContact O-N 3.24Å; T255-V265 HydrophobicContact CG2-CG2 4.13Å
256K62.7Low75.2Confident128 Ų12835 Ų3556%0.55718%0.178SC*.SBendtrans-98-15.2-167.8-68.6-173.8178179.50115.8D289K256-D289 IonicContact NZ-OD2 3.78Å; K256-D289 PolarHBondContact NZ-OD2 2.96Å
257E51.7Low75.4Confident80 Ų8034.4 Ų34.437%0.37417%0.172SC..SBendtrans-84.5-36.2-173.7-92.5-179.2-165.800114.2M1 V2 H254M1-E257 WeakPolarHBondContact CA-OE1 3.29Å; M1-E257 PolarHBondContact N-OE1 3.19Å; V2-E257 WeakPolarHBondContact CB-OE2 3.4Å; V2-E257 WeakPolarHBondContact CG2-OE2 3.08Å; V2-E257 PolarHBondContact N-OE1 3.36Å; H254-E257 WeakPolarHBondContact NE2-CB 3.36Å; H254-E257 VanDerWaalsContact NE2-CD 3.32Å; H254-E257 WeakPolarHBondContact NE2-CG 3.24Å; H254-E257 IonicContact NE2-OE1 3.28Å; H254-E257 IonicContact NE2-OE2 3.62Å
258N54.9Low75.4Confident97 Ų9734 Ų3452%0.51917%0.171SC..  trans-139.7142.7-180-67.7-53.9000111.5N260 D261N258-N260 HydrophobicContact CB-CB 4.3Å; N258-N260 PolarHBondContact O-N 3.01Å; N258-D261 PolarHBondContact O-N 3.4Å
259D56.4Low75.1Confident135 Ų13534.1 Ų34.172%0.72217%0.171SC*.Hα-helixtrans-50.9-32.3171.1-74-24000111.7D261 L262 L263D259-D261 VanDerWaalsContact C-N 3.29Å; D259-D261 PolarHBondContact O-N 3.34Å; D259-L262 PolarHBondContact O-N 2.89Å; D259-L263 WeakPolarHBondContact O-CG 3.39Å; D259-L263 PolarHBondContact O-N 2.83Å; D259-L263 VanDerWaalsContact O-N 3.09Å
260N59.8Low74.5Confident110 Ų11034.5 Ų34.559%0.58817%0.173SC*.Hα-helixtrans-59.8-31.1176-71.4-25.2000114.7N258 L263 S264N258-N260 HydrophobicContact CB-CB 4.3Å; N258-N260 PolarHBondContact O-N 3.01Å; N260-L263 WeakPolarHBondContact O-CB 3.39Å; N260-S264 PolarHBondContact O-N 3.42Å; N260-S264 PolarHBondContact O-OG 3.39Å
261D66.3Low73.6Confident19 Ų1936 Ų3610%0.10218%0.184CC..Hα-helixtrans-74.7-40.3180-74.1-41.5000111.1R92 H254 N258 D259 L263 S264R92-D261 IonicContact CZ-OD1 2.91Å; R92-D261 IonicContact NH1-OD1 3.76Å; R92-D261 PolarHBondContact NH1-OD1 3.22Å; H254-D261 VanDerWaalsContact O-CB 3.31Å; H254-D261 WeakPolarHBondContact O-CB 3.21Å; N258-D261 PolarHBondContact O-N 3.4Å; D259-D261 VanDerWaalsContact C-N 3.29Å; D259-D261 PolarHBondContact O-N 3.34Å; D261-L263 VanDerWaalsContact C-N 3.3Å; D261-L263 PolarHBondContact O-N 3.15Å; D261-S264 WeakPolarHBondContact O-CB 3.47Å; D261-S264 PolarHBondContact O-N 3.33Å; D261-S264 PolarHBondContact O-OG 2.7Å
262L74.4Confident72.9Confident42 Ų4236.2 Ų36.222%0.2219%0.185CC..Hα-helixtrans-63.6-36.1172.7-165.166.5000111.9D259 S264 V265 Y266 L282 L295D259-L262 PolarHBondContact O-N 2.89Å; L262-S264 PolarHBondContact O-N 2.95Å; L262-S264 VanDerWaalsContact O-N 3.14Å; L262-V265 PolarHBondContact O-N 2.79Å; L262-Y266 HydrophobicContact CB-CE2 4.41Å; L262-Y266 HydrophobicContact CD2-CE2 3.82Å; L262-Y266 WeakPolarHBondContact CD2-OH 3.23Å; L262-Y266 HydrophobicContact CG-CD2 4.44Å; L262-Y266 HydrophobicContact CG-CE1 4.14Å; L262-Y266 HydrophobicContact CG-CE2 3.71Å; L262-Y266 PolarHBondContact O-N 3.41Å; L262-Y266 VanDerWaalsContact O-N 3.1Å; L262-L282 HydrophobicContact CD1-CD1 4.39Å; L262-L295 HydrophobicContact CD1-CD2 3.56Å; L262-L295 HydrophobicContact CG-CD2 4.41Å
263L76.8Confident71.8Confident8 Ų839.4 Ų39.44%0.04221%0.206CC..Hα-helixtrans-57.6-26.2172.2-67.5-179.7000112.6D259 N260 D261 Y266 R267 L300 D381D259-L263 WeakPolarHBondContact O-CG 3.39Å; D259-L263 PolarHBondContact O-N 2.83Å; D259-L263 VanDerWaalsContact O-N 3.09Å; N260-L263 WeakPolarHBondContact O-CB 3.39Å; D261-L263 VanDerWaalsContact C-N 3.3Å; D261-L263 PolarHBondContact O-N 3.15Å; L263-Y266 HydrophobicContact CD2-CD2 3.82Å; L263-Y266 HydrophobicContact CD2-CE2 4.46Å; L263-Y266 PolarHBondContact O-N 2.78Å; L263-R267 WeakPolarHBondContact O-CG 3.22Å; L263-R267 PolarHBondContact O-N 2.86Å; L263-R267 PolarHBondContact O-NH1 3.48Å; L263-L300 HydrophobicContact CD2-CD1 3.77Å; L263-D381 HydrophobicContact CD1-CB 4.47Å; L263-D381 HydrophobicContact CD2-CB 4.13Å
264S75.8Confident71.1Confident8 Ų842.7 Ų42.76%0.05622%0.221CC..Hα-helixtrans-64.7-41.4175.9-48.10000111.6R92 N260 D261 L262 R267 I268R92-S264 PolarHBondContact NH2-OG 3.03Å; N260-S264 PolarHBondContact O-N 3.42Å; N260-S264 PolarHBondContact O-OG 3.39Å; D261-S264 WeakPolarHBondContact O-CB 3.47Å; D261-S264 PolarHBondContact O-N 3.33Å; D261-S264 PolarHBondContact O-OG 2.7Å; L262-S264 PolarHBondContact O-N 2.95Å; L262-S264 VanDerWaalsContact O-N 3.14Å; S264-R267 VanDerWaalsContact CA-NH2 3.31Å; S264-R267 PolarHBondContact OG-NH2 3.35Å; S264-I268 WeakPolarHBondContact O-CD1 3.46Å; S264-I268 WeakPolarHBondContact O-CG1 3.29Å; S264-I268 PolarHBondContact O-N 3.16Å
265V81.2Confident71Confident0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-71.1-37.7175.7-164.20000110.9M249 Y251 T255 L262 R267 I268 L269 T280 L282 L295M249-V265 HydrophobicContact CE-CG1 3.67Å; Y251-V265 HydrophobicContact CD1-CG2 3.42Å; Y251-V265 VanDerWaalsContact CD1-CG2 3.42Å; Y251-V265 HydrophobicContact CD2-CG1 4.46Å; Y251-V265 HydrophobicContact CD2-CG2 3.93Å; Y251-V265 HydrophobicContact CE1-CG2 3.44Å; Y251-V265 VanDerWaalsContact CE1-CG2 3.44Å; Y251-V265 HydrophobicContact CE2-CG2 3.96Å; Y251-V265 HydrophobicContact CG-CG1 4.21Å; Y251-V265 HydrophobicContact CG-CG2 3.65Å; T255-V265 HydrophobicContact CG2-CG2 4.13Å; L262-V265 PolarHBondContact O-N 2.79Å; V265-R267 PolarHBondContact O-N 2.9Å; V265-I268 WeakPolarHBondContact O-CB 3.37Å; V265-I268 PolarHBondContact O-N 3.41Å; V265-L269 PolarHBondContact O-N 2.9Å; V265-T280 HydrophobicContact CG1-CG2 4.28Å; V265-L282 HydrophobicContact CG1-CD2 3.94Å; V265-L282 HydrophobicContact CG2-CD2 4.2Å; V265-L295 HydrophobicContact CB-CD1 4.32Å; V265-L295 HydrophobicContact CG1-CD1 3.56Å
266Y80.5Confident71.5Confident24 Ų2442.8 Ų42.89%0.09423%0.228CC..Hα-helixtrans-63.7-41.7176.2-61.3-28.6000113L262 L263 I268 L269 L270 L295 L297 L300L262-Y266 HydrophobicContact CB-CE2 4.41Å; L262-Y266 HydrophobicContact CD2-CE2 3.82Å; L262-Y266 WeakPolarHBondContact CD2-OH 3.23Å; L262-Y266 HydrophobicContact CG-CD2 4.44Å; L262-Y266 HydrophobicContact CG-CE1 4.14Å; L262-Y266 HydrophobicContact CG-CE2 3.71Å; L262-Y266 PolarHBondContact O-N 3.41Å; L262-Y266 VanDerWaalsContact O-N 3.1Å; L263-Y266 HydrophobicContact CD2-CD2 3.82Å; L263-Y266 HydrophobicContact CD2-CE2 4.46Å; L263-Y266 PolarHBondContact O-N 2.78Å; Y266-I268 PolarHBondContact O-N 2.75Å; Y266-L269 PolarHBondContact O-N 2.88Å; Y266-L270 WeakPolarHBondContact O-CB 3.35Å; Y266-L270 WeakPolarHBondContact O-CD1 3.27Å; Y266-L270 VanDerWaalsContact O-CG 3.23Å; Y266-L270 WeakPolarHBondContact O-CG 3.15Å; Y266-L270 PolarHBondContact O-N 3.45Å; Y266-L295 HydrophobicContact CD1-CD2 4.35Å; Y266-L295 HydrophobicContact CE1-CB 4.17Å; Y266-L295 HydrophobicContact CE1-CD1 4.45Å; Y266-L295 HydrophobicContact CE1-CD2 3.66Å; Y266-L295 HydrophobicContact CE1-CG 4.31Å; Y266-L297 HydrophobicContact CD1-CD1 3.33Å; Y266-L297 HydrophobicContact CD2-CD1 3.98Å; Y266-L297 HydrophobicContact CE1-CD1 3.55Å; Y266-L297 HydrophobicContact CE2-CD1 4.24Å; Y266-L297 HydrophobicContact CG-CD1 3.53Å; Y266-L300 HydrophobicContact CD2-CD1 3.62Å; Y266-L300 HydrophobicContact CE2-CD1 4.09Å; Y266-L300 HydrophobicContact CG-CD1 4.38Å
267R80.5Confident72.3Confident13 Ų1339 Ų395%0.04922%0.216CC..Hα-helixtrans-56.3-41.2174-78.1-172.6-65.4-83.77.5111.9L263 S264 V265 C271 P375 E376 L379 V422L263-R267 WeakPolarHBondContact O-CG 3.22Å; L263-R267 PolarHBondContact O-N 2.86Å; L263-R267 PolarHBondContact O-NH1 3.48Å; S264-R267 VanDerWaalsContact CA-NH2 3.31Å; S264-R267 PolarHBondContact OG-NH2 3.35Å; V265-R267 PolarHBondContact O-N 2.9Å; R267-C271 PolarHBondContact O-N 3.08Å; R267-C271 PolarHBondContact O-SG 2.67Å; R267-C271 VanDerWaalsContact O-SG 3.36Å; R267-P375 WeakPolarHBondContact CD-O 3.34Å; R267-E376 IonicContact CZ-OE2 3.29Å; R267-E376 IonicContact NE-OE1 3.06Å; R267-E376 IonicContact NE-OE2 3.65Å; R267-E376 PolarHBondContact NH1-O 2.8Å; R267-E376 IonicContact NH2-OE1 2.7Å; R267-E376 IonicContact NH2-OE2 2.86Å; R267-E376 PolarHBondContact NH2-OE2 2.89Å; R267-L379 HydrophobicContact CG-CD1 3.7Å; R267-L379 HydrophobicContact CG-CG 4.43Å; R267-V422 HydrophobicContact CG-CG1 4.46Å
268I79.1Confident73.7Confident8 Ų842 Ų424%0.04123%0.234CC..Hα-helixtrans-62-51.9176.8-69.4163.9000110.6M152 L228 M249 Y251 S264 V265 Y266 L270 C271 L272M152-I268 HydrophobicContact CB-CD1 4.49Å; M152-I268 HydrophobicContact CE-CB 4.2Å; M152-I268 HydrophobicContact CE-CD1 3.5Å; M152-I268 VanDerWaalsContact CE-CD1 3.5Å; M152-I268 HydrophobicContact CE-CG1 3.6Å; M152-I268 HydrophobicContact CE-CG2 3.55Å; M152-I268 HydrophobicContact SD-CB 4.36Å; M152-I268 HydrophobicContact SD-CD1 4.13Å; M152-I268 HydrophobicContact SD-CG1 4.33Å; M152-I268 HydrophobicContact SD-CG2 3.19Å; M152-I268 WeakPolarHBondContact SD-CG2 3.49Å; L228-I268 HydrophobicContact CD1-CD1 4.22Å; M249-I268 HydrophobicContact CE-CG2 4.19Å; M249-I268 HydrophobicContact SD-CG2 3.52Å; M249-I268 VanDerWaalsContact SD-CG2 3.52Å; Y251-I268 HydrophobicContact CD2-CD1 4Å; Y251-I268 HydrophobicContact CE2-CD1 3.97Å; S264-I268 WeakPolarHBondContact O-CD1 3.46Å; S264-I268 WeakPolarHBondContact O-CG1 3.29Å; S264-I268 PolarHBondContact O-N 3.16Å; V265-I268 WeakPolarHBondContact O-CB 3.37Å; V265-I268 PolarHBondContact O-N 3.41Å; Y266-I268 PolarHBondContact O-N 2.75Å; I268-L270 VanDerWaalsContact C-N 3.28Å; I268-L270 PolarHBondContact O-N 3.16Å; I268-C271 PolarHBondContact O-N 2.7Å; I268-C271 VanDerWaalsContact O-N 3.09Å; I268-L272 HydrophobicContact CG2-CD1 4.26Å; I268-L272 PolarHBondContact O-N 3.13Å; I268-L272 VanDerWaalsContact O-N 3.1Å
269L79.3Confident75.2Confident9 Ų939.6 Ų39.65%0.04722%0.219CC..Hα-helixtrans-61-36.7-179.6-70-176.4000112.9M249 V265 Y266 C271 L272 I275 T280 L295M249-L269 HydrophobicContact CE-CD2 3.57Å; M249-L269 HydrophobicContact CE-CG 4.06Å; M249-L269 HydrophobicContact SD-CD2 4.5Å; V265-L269 PolarHBondContact O-N 2.9Å; Y266-L269 PolarHBondContact O-N 2.88Å; L269-C271 PolarHBondContact O-N 3.19Å; L269-L272 CarbonylContact O-C 3.57Å; L269-L272 PolarHBondContact O-N 3.1Å; L269-L272 VanDerWaalsContact O-N 3.13Å; L269-I275 HydrophobicContact CD2-CB 4.13Å; L269-I275 HydrophobicContact CD2-CG2 3.94Å; L269-T280 WeakPolarHBondContact CD2-OG1 3.39Å; L269-L295 HydrophobicContact CD1-CB 4.48Å; L269-L295 HydrophobicContact CD1-CD1 3.49Å; L269-L295 VanDerWaalsContact CD1-CD1 3.49Å; L269-L295 HydrophobicContact CG-CD1 4.47Å
270L76.4Confident76.7Confident8 Ų833.2 Ų33.24%0.04218%0.184CC..Hα-helixtrans-68-26.1177.7-71.9167.5000113.1Y266 I268 L301 L379 L420Y266-L270 WeakPolarHBondContact O-CB 3.35Å; Y266-L270 WeakPolarHBondContact O-CD1 3.27Å; Y266-L270 VanDerWaalsContact O-CG 3.23Å; Y266-L270 WeakPolarHBondContact O-CG 3.15Å; Y266-L270 PolarHBondContact O-N 3.45Å; I268-L270 VanDerWaalsContact C-N 3.28Å; I268-L270 PolarHBondContact O-N 3.16Å; L270-L301 HydrophobicContact CD2-CD2 4.37Å; L270-L379 HydrophobicContact CD1-CD1 3.59Å; L270-L420 HydrophobicContact CB-CB 4.17Å; L270-L420 HydrophobicContact CD1-CB 4.4Å; L270-L420 HydrophobicContact CD1-CD2 3.75Å; L270-L420 HydrophobicContact CD2-CB 3.95Å; L270-L420 HydrophobicContact CG-CB 4.4Å
271C72.4Confident78.2Confident32 Ų3228.2 Ų28.222%0.21616%0.158CC..Hα-helixtrans-88.8-9.8173.4-66.10000113.4C225 R267 I268 L269C225-C271 HydrophobicContact CB-CB 4.01Å; C225-C271 WeakPolarHBondContact SG-CB 3.24Å; R267-C271 PolarHBondContact O-N 3.08Å; R267-C271 PolarHBondContact O-SG 2.67Å; R267-C271 VanDerWaalsContact O-SG 3.36Å; I268-C271 PolarHBondContact O-N 2.7Å; I268-C271 VanDerWaalsContact O-N 3.09Å; L269-C271 PolarHBondContact O-N 3.19Å
272L74.9Confident79.4Confident10 Ų1027.6 Ų27.65%0.05215%0.154CC..  trans-132.873-179-70180000111.3L150 M152 I223 I230 I268 L269 E274 I275L150-L272 HydrophobicContact CD2-CD1 3.69Å; M152-L272 HydrophobicContact SD-CD1 4.46Å; I223-L272 HydrophobicContact CD1-CD2 3.78Å; I230-L272 HydrophobicContact CD1-CD1 3.15Å; I230-L272 HydrophobicContact CD1-CD2 4.06Å; I230-L272 HydrophobicContact CD1-CG 3.78Å; I230-L272 HydrophobicContact CG1-CD1 4.5Å; I230-L272 HydrophobicContact CG2-CD1 4.44Å; I230-L272 HydrophobicContact CG2-CD2 4.45Å; I268-L272 HydrophobicContact CG2-CD1 4.26Å; I268-L272 PolarHBondContact O-N 3.13Å; I268-L272 VanDerWaalsContact O-N 3.1Å; L269-L272 CarbonylContact O-C 3.57Å; L269-L272 PolarHBondContact O-N 3.1Å; L269-L272 VanDerWaalsContact O-N 3.13Å; L272-E274 VanDerWaalsContact C-OE2 3.27Å; L272-E274 WeakPolarHBondContact CA-OE2 3.4Å; L272-E274 PolarHBondContact O-N 3.04Å; L272-I275 HydrophobicContact CB-CG1 4.46Å; L272-I275 HydrophobicContact CD1-CD1 3.98Å; L272-I275 PolarHBondContact O-N 2.83Å
273P69.3Low80.2Confident68 Ų6825.6 Ų25.644%0.44214%0.144SC..THydrogen-bonded Turntrans-61.6-15.3-179.227.5-35.9000113.6I275P273-I275 PolarHBondContact O-N 2.82Å
274E73.6Confident80.8Confident69 Ų6925.4 Ų25.432%0.32214%0.143SC..THydrogen-bonded Turntrans-65.4-23.5175.6-57.380.5-174.200112.7W247 L272W247-E274 HydrophobicContact CG-CB 4.43Å; L272-E274 VanDerWaalsContact C-OE2 3.27Å; L272-E274 WeakPolarHBondContact CA-OE2 3.4Å; L272-E274 PolarHBondContact O-N 3.04Å
275I78Confident81.4Confident5 Ų525 Ų253%0.02614%0.14CC..SBendtrans-102.5106.7179.8-51-169.3000109.4L150 W247 M249 L269 L272 P273 K279L150-I275 HydrophobicContact CB-CD1 4.4Å; L150-I275 HydrophobicContact CD2-CD1 3.9Å; W247-I275 HydrophobicContact CB-CD1 4.23Å; W247-I275 HydrophobicContact CB-CG1 3.73Å; M249-I275 HydrophobicContact CB-CD1 3.87Å; M249-I275 HydrophobicContact CB-CG2 3.77Å; L269-I275 HydrophobicContact CD2-CB 4.13Å; L269-I275 HydrophobicContact CD2-CG2 3.94Å; L272-I275 HydrophobicContact CB-CG1 4.46Å; L272-I275 HydrophobicContact CD1-CD1 3.98Å; L272-I275 PolarHBondContact O-N 2.83Å; P273-I275 PolarHBondContact O-N 2.82Å; I275-K279 HydrophobicContact CG2-CB 4.44Å
276G76.7Confident81.5Confident26 Ų2627 Ų2727%0.26815%0.15SC..  trans-69.8153.3173.500000112.5L278 K279 T280G276-L278 PolarHBondContact O-N 3.09Å; G276-L278 VanDerWaalsContact O-N 3.15Å; G276-K279 WeakPolarHBondContact O-CA 3.35Å; G276-K279 PolarHBondContact O-N 3.26Å; G276-T280 PolarHBondContact O-OG1 3.06Å
277P80.1Confident81.8Confident47 Ų4728.6 Ų28.631%0.30517%0.165SC..G310 helixtrans-57.1-30.9176.7-24.332.4000114.3K279 T280 G294 L295 L297P277-K279 VanDerWaalsContact C-N 3.3Å; P277-T280 PolarHBondContact O-N 2.94Å; P277-G294 WeakPolarHBondContact O-CA 3.22Å; P277-L295 HydrophobicContact CB-CB 4Å; P277-L295 WeakPolarHBondContact CB-O 3.01Å; P277-L295 PolarHBondContact O-N 3.38Å; P277-L297 HydrophobicContact CG-CB 4.31Å
278L82.3Confident82.1Confident145 Ų14529.8 Ų29.876%0.75918%0.175SC*.G310 helixtrans-75.3-16.8175.9-63.8175.9000113.6G276 T280G276-L278 PolarHBondContact O-N 3.09Å; G276-L278 VanDerWaalsContact O-N 3.15Å; L278-T280 VanDerWaalsContact C-N 3.31Å
279K85.2Confident82.5Confident45 Ų4532.6 Ų32.620%0.19619%0.19CC..G310 helixtrans-95.911.6175.1-56.9-170.1-169.7178.10112Y137 S246 W247 M248 M249 I275 G276 P277Y137-K279 HydrophobicContact CE1-CD 4.31Å; Y137-K279 HydrophobicContact CE1-CG 4.44Å; Y137-K279 WeakPolarHBondContact OH-CE 3.41Å; S246-K279 PolarHBondContact OG-NZ 3.44Å; W247-K279 WeakPolarHBondContact O-CD 3.34Å; M248-K279 WeakPolarHBondContact CA-O 3.35Å; M248-K279 HydrophobicContact CG-CB 4.33Å; M249-K279 PolarHBondContact N-O 3.34Å; I275-K279 HydrophobicContact CG2-CB 4.44Å; G276-K279 WeakPolarHBondContact O-CA 3.35Å; G276-K279 PolarHBondContact O-N 3.26Å; P277-K279 VanDerWaalsContact C-N 3.3Å
280T88.4Confident82.9Confident1 Ų133.1 Ų33.11%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-107.5123.5179.3-58.10000110.1M249 V265 L269 G276 P277 L278 L282 L295M249-T280 HydrophobicContact CB-CG2 4.45Å; M249-T280 HydrophobicContact CE-CG2 3.26Å; M249-T280 CarbonylContact O-C 3.59Å; M249-T280 WeakPolarHBondContact O-CA 3.48Å; V265-T280 HydrophobicContact CG1-CG2 4.28Å; L269-T280 WeakPolarHBondContact CD2-OG1 3.39Å; G276-T280 PolarHBondContact O-OG1 3.06Å; P277-T280 PolarHBondContact O-N 2.94Å; L278-T280 VanDerWaalsContact C-N 3.31Å; T280-L282 HydrophobicContact CG2-CD2 3.93Å; T280-L295 HydrophobicContact CG2-CD1 3.52Å; T280-L295 HydrophobicContact CG2-CG 4.37Å
281I90.3Very high83.4Confident6 Ų635.3 Ų35.33%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-105.6132.7173.9-61.6168.5000107.7L130 T133 M248 M249 L250 Y251 L290 L292L130-I281 HydrophobicContact CD2-CD1 4.09Å; L130-I281 HydrophobicContact CD2-CG2 3.77Å; T133-I281 HydrophobicContact CG2-CD1 4.13Å; M248-I281 HydrophobicContact CE-CD1 4.06Å; M249-I281 PolarHBondContact O-N 3.05Å; L250-I281 WeakPolarHBondContact CA-O 3.3Å; L250-I281 HydrophobicContact CD1-CB 4.25Å; L250-I281 HydrophobicContact CD1-CG2 3.92Å; Y251-I281 PolarHBondContact N-O 2.87Å; I281-L290 HydrophobicContact CG2-CD1 3.49Å; I281-L290 VanDerWaalsContact CG2-CD1 3.49Å; I281-L290 HydrophobicContact CG2-CG 4.19Å; I281-L292 HydrophobicContact CD1-CD2 4.29Å; I281-L292 HydrophobicContact CG1-CD2 4.13Å; I281-L292 HydrophobicContact CG2-CD2 3.75Å
282L91.3Very high83.7Confident5 Ų537.9 Ų37.93%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-106.2132.4175.1-46.6172.9000109Y251 L262 V265 T280 L290 D291 L295Y251-L282 HydrophobicContact CD1-CD2 4.23Å; Y251-L282 HydrophobicContact CG-CD2 4.45Å; L262-L282 HydrophobicContact CD1-CD1 4.39Å; V265-L282 HydrophobicContact CG1-CD2 3.94Å; V265-L282 HydrophobicContact CG2-CD2 4.2Å; T280-L282 HydrophobicContact CG2-CD2 3.93Å; L282-L290 CarbonylContact O-C 3.55Å; L282-D291 HydrophobicContact CB-CB 4.12Å; L282-D291 HydrophobicContact CD1-CB 4.49Å; L282-D291 PolarHBondContact N-O 2.91Å; L282-D291 VanDerWaalsContact N-O 3.13Å; L282-D291 PolarHBondContact O-N 3.22Å; L282-L295 HydrophobicContact CD1-CD2 3.75Å; L282-L295 HydrophobicContact CD1-CG 4.31Å; L282-L295 HydrophobicContact CD2-CD1 4.2Å; L282-L295 HydrophobicContact CD2-CD2 4.31Å; L282-L295 HydrophobicContact CD2-CG 4.37Å; L282-L295 HydrophobicContact CG-CD2 4.47Å
283F91.6Very high83.8Confident0 Ų041.7 Ų41.70%024%0.243CC..EExtended strand (participates in β ladder)trans-121.7120.7171.7173.7-126.4000109F123 I126 I160 I164 L250 Y251 I252 G253 P285 D289 L290F123-F283 HydrophobicContact CD1-CE1 4.14Å; F123-F283 AromaticContact CD1-CZ 3.67Å; F123-F283 HydrophobicContact CD1-CZ 3.67Å; F123-F283 HydrophobicContact CE1-CE1 4.27Å; F123-F283 AromaticContact CE1-CZ 3.72Å; F123-F283 HydrophobicContact CE1-CZ 3.72Å; I126-F283 HydrophobicContact CD1-CD2 4.09Å; I126-F283 HydrophobicContact CD1-CE2 3.21Å; I126-F283 HydrophobicContact CD1-CZ 3.53Å; I126-F283 HydrophobicContact CG1-CE2 4.09Å; I126-F283 HydrophobicContact CG2-CD2 3.94Å; I126-F283 HydrophobicContact CG2-CE2 4.07Å; I126-F283 HydrophobicContact CG2-CG 4.24Å; I126-F283 HydrophobicContact CG2-CZ 4.4Å; I160-F283 HydrophobicContact CG2-CE1 4.03Å; I164-F283 HydrophobicContact CD1-CD1 3.62Å; I164-F283 HydrophobicContact CD1-CE1 3.55Å; L250-F283 HydrophobicContact CD1-CB 3.93Å; Y251-F283 PolarHBondContact O-N 2.97Å; I252-F283 CarbonylContact C-O 3.56Å; I252-F283 WeakPolarHBondContact CA-O 3.38Å; I252-F283 HydrophobicContact CB-CD1 4.46Å; I252-F283 HydrophobicContact CG1-CD1 4.15Å; I252-F283 HydrophobicContact CG2-CD1 3.89Å; I252-F283 HydrophobicContact CG2-CE1 4.34Å; G253-F283 PolarHBondContact N-O 2.88Å; F283-P285 HydrophobicContact CD1-CG 4.25Å; F283-P285 HydrophobicContact CE1-CB 4.17Å; F283-P285 HydrophobicContact CE1-CG 3.87Å; F283-P285 HydrophobicContact CZ-CB 4.25Å; F283-P285 HydrophobicContact CZ-CG 4.35Å; F283-P285 WeakPolarHBondContact O-CD 3.41Å; F283-D289 WeakPolarHBondContact CD2-O 3.48Å; F283-L290 HydrophobicContact CB-CD1 3.95Å; F283-L290 HydrophobicContact CD2-CD1 4.38Å
284D89.8Confident83.9Confident4 Ų438.8 Ų38.82%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-99108.4173.7178.28.8000109.8G253 H254 I286 S287 C288 D289G253-D284 WeakPolarHBondContact O-CA 3.47Å; H254-D284 IonicContact CE1-OD1 2.57Å; H254-D284 IonicContact CE1-OD2 3.96Å; H254-D284 PolarHBondContact CE1-OD2 3.13Å; H254-D284 VanDerWaalsContact CE1-OD2 3.28Å; H254-D284 IonicContact CG-OD1 3.51Å; H254-D284 IonicContact ND1-OD1 3.77Å; H254-D284 PolarHBondContact ND1-OD1 3.48Å; H254-D284 IonicContact ND1-OD2 3.4Å; H254-D284 PolarHBondContact ND1-OD2 2.69Å; D284-I286 VanDerWaalsContact C-N 3.27Å; D284-I286 PolarHBondContact O-N 3.39Å; D284-I286 PolarHBondContact OD1-N 3.23Å; D284-S287 WeakPolarHBondContact CB-OG 3.31Å; D284-S287 WeakPolarHBondContact OD2-CB 3.14Å; D284-S287 PolarHBondContact OD2-OG 3.03Å; D284-C288 VanDerWaalsContact O-CA 3.28Å; D284-C288 WeakPolarHBondContact O-CA 3.45Å; D284-C288 PolarHBondContact O-N 3.12Å; D284-D289 PolarHBondContact N-O 3.1Å; D284-D289 PolarHBondContact O-N 3.33Å
285P88.2Confident84Confident0 Ų036.2 Ų36.20%021%0.214CC..THydrogen-bonded Turntrans-65.7-28.4-178.3-22.635.7000113.8F123 F157 I160 I252 F283F123-P285 HydrophobicContact CE1-CB 4.43Å; F157-P285 HydrophobicContact CB-CG 4.2Å; F157-P285 HydrophobicContact CD1-CB 3.9Å; F157-P285 HydrophobicContact CD1-CG 3.81Å; F157-P285 HydrophobicContact CD2-CG 3.99Å; F157-P285 HydrophobicContact CE1-CB 4Å; F157-P285 HydrophobicContact CE1-CG 4.13Å; F157-P285 HydrophobicContact CE2-CG 4.34Å; F157-P285 HydrophobicContact CG-CB 4.34Å; F157-P285 HydrophobicContact CG-CG 3.74Å; F157-P285 HydrophobicContact CZ-CG 4.4Å; I160-P285 HydrophobicContact CD1-CB 3.5Å; I160-P285 VanDerWaalsContact CD1-CB 3.5Å; I160-P285 HydrophobicContact CD1-CG 4.1Å; I252-P285 HydrophobicContact CG2-CG 3.51Å; F283-P285 HydrophobicContact CD1-CG 4.25Å; F283-P285 HydrophobicContact CE1-CB 4.17Å; F283-P285 HydrophobicContact CE1-CG 3.87Å; F283-P285 HydrophobicContact CZ-CB 4.25Å; F283-P285 HydrophobicContact CZ-CG 4.35Å; F283-P285 WeakPolarHBondContact O-CD 3.41Å
286I84.1Confident83.8Confident41 Ų4143.9 Ų43.921%0.2125%0.25CC..THydrogen-bonded Turntrans-74.2-41.9-176.3-60.9177.9000110.7V2 F157 H254 D284V2-I286 HydrophobicContact CG2-CD1 4.39Å; F157-I286 HydrophobicContact CE1-CG1 4.1Å; F157-I286 HydrophobicContact CZ-CD1 4Å; F157-I286 HydrophobicContact CZ-CG1 3.93Å; H254-I286 HydrophobicContact CB-CD1 4.12Å; D284-I286 VanDerWaalsContact C-N 3.27Å; D284-I286 PolarHBondContact O-N 3.39Å; D284-I286 PolarHBondContact OD1-N 3.23Å
287S85.5Confident83.9Confident59 Ų5943.1 Ų43.141%0.41324%0.24SC..THydrogen-bonded Turntrans-89.5-5.5176.560.80000113.3D284 D289D284-S287 WeakPolarHBondContact CB-OG 3.31Å; D284-S287 WeakPolarHBondContact OD2-CB 3.14Å; D284-S287 PolarHBondContact OD2-OG 3.03Å; S287-D289 PolarHBondContact O-N 3.5Å; S287-D289 WeakPolarHBondContact OG-CB 3.48Å
288C87.1Confident83.9Confident38 Ų3846.4 Ų46.426%0.25726%0.255SS..THydrogen-bonded Turntrans50.735-170.7-78.50000112.6I126 D284I126-C288 HydrophobicContact CD1-CB 4.39Å; D284-C288 VanDerWaalsContact O-CA 3.28Å; D284-C288 WeakPolarHBondContact O-CA 3.45Å; D284-C288 PolarHBondContact O-N 3.12Å
289D87.5Confident83.9Confident66 Ų6648.5 Ų48.535%0.35325%0.253SS..EExtended strand (participates in β ladder)trans-105139-176.3-170.530.3000112K256 F283 D284 S287K256-D289 IonicContact NZ-OD2 3.78Å; K256-D289 PolarHBondContact NZ-OD2 2.96Å; F283-D289 WeakPolarHBondContact CD2-O 3.48Å; D284-D289 PolarHBondContact N-O 3.1Å; D284-D289 PolarHBondContact O-N 3.33Å; S287-D289 PolarHBondContact O-N 3.5Å; S287-D289 WeakPolarHBondContact OG-CB 3.48Å
290L88.4Confident83.7Confident20 Ų2046.8 Ų46.811%0.10525%0.245CC..EExtended strand (participates in β ladder)trans-115.9105.4-178.9-173.569.9000109.4I126 Q129 L130 I281 L282 F283 L292I126-L290 HydrophobicContact CG2-CD1 4.35Å; Q129-L290 HydrophobicContact CB-CD2 3.91Å; L130-L290 HydrophobicContact CD2-CD1 3.82Å; L130-L290 HydrophobicContact CD2-CD2 4.3Å; L130-L290 HydrophobicContact CG-CD1 4.25Å; L130-L290 HydrophobicContact CG-CD2 4.29Å; I281-L290 HydrophobicContact CG2-CD1 3.49Å; I281-L290 VanDerWaalsContact CG2-CD1 3.49Å; I281-L290 HydrophobicContact CG2-CG 4.19Å; L282-L290 CarbonylContact O-C 3.55Å; F283-L290 HydrophobicContact CB-CD1 3.95Å; F283-L290 HydrophobicContact CD2-CD1 4.38Å; L290-L292 HydrophobicContact CD1-CD2 4.48Å; L290-L292 HydrophobicContact CD2-CD1 4.49Å; L290-L292 HydrophobicContact CD2-CD2 3.79Å; L290-L292 HydrophobicContact CD2-CG 4.27Å; L290-L292 HydrophobicContact CG-CD2 3.78Å; L290-L292 HydrophobicContact CG-CG 4.21Å; L290-L292 PolarHBondContact O-N 3.1Å
291D86.6Confident83.6Confident55 Ų5548.6 Ų48.629%0.29426%0.255SS..EExtended strand (participates in β ladder)trans-87.8110.1176.3-173.34.3000110.6L282 S293L282-D291 HydrophobicContact CB-CB 4.12Å; L282-D291 HydrophobicContact CD1-CB 4.49Å; L282-D291 PolarHBondContact N-O 2.91Å; L282-D291 VanDerWaalsContact N-O 3.13Å; L282-D291 PolarHBondContact O-N 3.22Å; D291-S293 VanDerWaalsContact OD1-CB 3.3Å; D291-S293 WeakPolarHBondContact OD1-CB 3.41Å; D291-S293 PolarHBondContact OD1-N 3Å; D291-S293 PolarHBondContact OD1-OG 2.98Å
292L79.8Confident83.5Confident86 Ų8655.7 Ų55.745%0.4529%0.286SS..  trans-99.4-1.7177.8-58.1-178.4000112.8T133 I281 L290 G294T133-L292 HydrophobicContact CG2-CD1 4.48Å; T133-L292 HydrophobicContact CG2-CD2 4.05Å; I281-L292 HydrophobicContact CD1-CD2 4.29Å; I281-L292 HydrophobicContact CG1-CD2 4.13Å; I281-L292 HydrophobicContact CG2-CD2 3.75Å; L290-L292 HydrophobicContact CD1-CD2 4.48Å; L290-L292 HydrophobicContact CD2-CD1 4.49Å; L290-L292 HydrophobicContact CD2-CD2 3.79Å; L290-L292 HydrophobicContact CD2-CG 4.27Å; L290-L292 HydrophobicContact CG-CD2 3.78Å; L290-L292 HydrophobicContact CG-CG 4.21Å; L290-L292 PolarHBondContact O-N 3.1Å; L292-G294 PolarHBondContact O-N 3.01Å
293S76.2Confident83.3Confident89 Ų8958.8 Ų58.862%0.62230%0.297SS*.SBendtrans-75.3-11.4-173.5690000113.9D291D291-S293 VanDerWaalsContact OD1-CB 3.3Å; D291-S293 WeakPolarHBondContact OD1-CB 3.41Å; D291-S293 PolarHBondContact OD1-N 3Å; D291-S293 PolarHBondContact OD1-OG 2.98Å
294G70.6Confident83.3Confident8 Ų859 Ų598%0.08230%0.297CS..  trans78161-176.400000112.8P277 L292P277-G294 WeakPolarHBondContact O-CA 3.22Å; L292-G294 PolarHBondContact O-N 3.01Å
295L75.6Confident83.4Confident14 Ų1460.7 Ų60.77%0.07331%0.31CS..  trans-81.5128.4-175.8-77.7159.7000112.3L262 V265 Y266 L269 P277 T280 L282 L297L262-L295 HydrophobicContact CD1-CD2 3.56Å; L262-L295 HydrophobicContact CG-CD2 4.41Å; V265-L295 HydrophobicContact CB-CD1 4.32Å; V265-L295 HydrophobicContact CG1-CD1 3.56Å; Y266-L295 HydrophobicContact CD1-CD2 4.35Å; Y266-L295 HydrophobicContact CE1-CB 4.17Å; Y266-L295 HydrophobicContact CE1-CD1 4.45Å; Y266-L295 HydrophobicContact CE1-CD2 3.66Å; Y266-L295 HydrophobicContact CE1-CG 4.31Å; L269-L295 HydrophobicContact CD1-CB 4.48Å; L269-L295 HydrophobicContact CD1-CD1 3.49Å; L269-L295 VanDerWaalsContact CD1-CD1 3.49Å; L269-L295 HydrophobicContact CG-CD1 4.47Å; P277-L295 HydrophobicContact CB-CB 4Å; P277-L295 WeakPolarHBondContact CB-O 3.01Å; P277-L295 PolarHBondContact O-N 3.38Å; T280-L295 HydrophobicContact CG2-CD1 3.52Å; T280-L295 HydrophobicContact CG2-CG 4.37Å; L282-L295 HydrophobicContact CD1-CD2 3.75Å; L282-L295 HydrophobicContact CD1-CG 4.31Å; L282-L295 HydrophobicContact CD2-CD1 4.2Å; L282-L295 HydrophobicContact CD2-CD2 4.31Å; L282-L295 HydrophobicContact CD2-CG 4.37Å; L282-L295 HydrophobicContact CG-CD2 4.47Å; L295-L297 PolarHBondContact O-N 2.68Å; L295-L297 VanDerWaalsContact O-N 3.11Å
296Q74.9Confident83.7Confident166 Ų16666.2 Ų66.278%0.77633%0.332SS*.  trans-85.775.6175-65.5-167.9-4.800112.2N298Q296-N298 VanDerWaalsContact C-N 3.32Å; Q296-N298 PolarHBondContact O-N 3.34Å
297L77.6Confident84.1Confident11 Ų1164.8 Ų64.86%0.05832%0.324CS..THydrogen-bonded Turntrans-77.8-13.4-178.1-162.165.9000114.1Y266 P277 L295 R299 L300 L301Y266-L297 HydrophobicContact CD1-CD1 3.33Å; Y266-L297 HydrophobicContact CD2-CD1 3.98Å; Y266-L297 HydrophobicContact CE1-CD1 3.55Å; Y266-L297 HydrophobicContact CE2-CD1 4.24Å; Y266-L297 HydrophobicContact CG-CD1 3.53Å; P277-L297 HydrophobicContact CG-CB 4.31Å; L295-L297 PolarHBondContact O-N 2.68Å; L295-L297 VanDerWaalsContact O-N 3.11Å; L297-R299 PolarHBondContact O-N 2.91Å; L297-R299 VanDerWaalsContact O-N 3.1Å; L297-L300 HydrophobicContact CD1-CB 4.07Å; L297-L300 HydrophobicContact CD1-CD1 4.27Å; L297-L300 HydrophobicContact CD1-CD2 4.13Å; L297-L300 HydrophobicContact CD1-CG 4.39Å; L297-L300 PolarHBondContact O-N 3.19Å; L297-L301 HydrophobicContact CD2-CD1 4.15Å; L297-L301 HydrophobicContact CD2-CD2 3.89Å; L297-L301 HydrophobicContact CD2-CG 4.02Å; L297-L301 HydrophobicContact CG-CD1 4.34Å; L297-L301 HydrophobicContact CG-CD2 4.08Å; L297-L301 HydrophobicContact CG-CG 3.88Å; L297-L301 PolarHBondContact O-N 3.03Å
298N81.2Confident84.5Confident115 Ų11562 Ų6262%0.61531%0.305SS*.Hα-helixtrans-54.6-36.5-173.3-72.9-27.2000113.7Q296 K302Q296-N298 VanDerWaalsContact C-N 3.32Å; Q296-N298 PolarHBondContact O-N 3.34Å; N298-K302 VanDerWaalsContact O-CB 3.27Å; N298-K302 WeakPolarHBondContact O-CB 3.16Å; N298-K302 WeakPolarHBondContact O-CG 3.43Å; N298-K302 PolarHBondContact O-N 3.14Å
299R82.2Confident84.8Confident190 Ų19062 Ų6272%0.71730%0.301SS*.Hα-helixtrans-64.8-46178179.5178.5169.4-177.4-7111.3L297 R303L297-R299 PolarHBondContact O-N 2.91Å; L297-R299 VanDerWaalsContact O-N 3.1Å; R299-R303 WeakPolarHBondContact O-CB 3.48Å; R299-R303 PolarHBondContact O-N 3.42Å
300L81.3Confident85.1Confident8 Ų861.9 Ų61.94%0.04230%0.298CS..Hα-helixtrans-66-47.8179.5-175151.2000110.7L263 Y266 L297 K302 R303 R304L263-L300 HydrophobicContact CD2-CD1 3.77Å; Y266-L300 HydrophobicContact CD2-CD1 3.62Å; Y266-L300 HydrophobicContact CE2-CD1 4.09Å; Y266-L300 HydrophobicContact CG-CD1 4.38Å; L297-L300 HydrophobicContact CD1-CB 4.07Å; L297-L300 HydrophobicContact CD1-CD1 4.27Å; L297-L300 HydrophobicContact CD1-CD2 4.13Å; L297-L300 HydrophobicContact CD1-CG 4.39Å; L297-L300 PolarHBondContact O-N 3.19Å; L300-K302 PolarHBondContact O-N 3.1Å; L300-R303 WeakPolarHBondContact O-CB 3.46Å; L300-R303 PolarHBondContact O-N 2.71Å; L300-R304 HydrophobicContact CD2-CG 3.98Å; L300-R304 WeakPolarHBondContact O-CG 3.26Å; L300-R304 PolarHBondContact O-N 3.33Å
301L84.8Confident85.4Confident39 Ų3961 Ų6120%0.20429%0.293CS..Hα-helixtrans-60.4-45.5178.5-62.2-175000111.9L270 L297 R303 R304 S305 A417L270-L301 HydrophobicContact CD2-CD2 4.37Å; L297-L301 HydrophobicContact CD2-CD1 4.15Å; L297-L301 HydrophobicContact CD2-CD2 3.89Å; L297-L301 HydrophobicContact CD2-CG 4.02Å; L297-L301 HydrophobicContact CG-CD1 4.34Å; L297-L301 HydrophobicContact CG-CD2 4.08Å; L297-L301 HydrophobicContact CG-CG 3.88Å; L297-L301 PolarHBondContact O-N 3.03Å; L301-R303 VanDerWaalsContact C-N 3.31Å; L301-R303 PolarHBondContact O-N 3.02Å; L301-R304 PolarHBondContact O-N 3.14Å; L301-S305 PolarHBondContact O-N 3.44Å; L301-S305 PolarHBondContact O-OG 3.09Å; L301-A417 HydrophobicContact CB-CB 4.39Å; L301-A417 HydrophobicContact CD2-CB 4.37Å; L301-A417 VanDerWaalsContact CD2-O 3.28Å; L301-A417 WeakPolarHBondContact CD2-O 3.48Å
302K88.5Confident85.7Confident156 Ų15660 Ų6068%0.67829%0.286SS*.Hα-helixtrans-58.5-43.8175.9-76.5174.9-177.9-175.50111.8N298 L300 Y306N298-K302 VanDerWaalsContact O-CB 3.27Å; N298-K302 WeakPolarHBondContact O-CB 3.16Å; N298-K302 WeakPolarHBondContact O-CG 3.43Å; N298-K302 PolarHBondContact O-N 3.14Å; L300-K302 PolarHBondContact O-N 3.1Å; K302-Y306 WeakPolarHBondContact O-CB 3.23Å; K302-Y306 PolarHBondContact O-N 2.88Å
303R88.6Confident86.3Confident69 Ų6957.3 Ų57.326%0.2627%0.272SS..Hα-helixtrans-63.1-45.8176.9-175.7-173.2176.288.9-6.7111.3R299 L300 L301 Y306 L307 D381 S382 N383R299-R303 WeakPolarHBondContact O-CB 3.48Å; R299-R303 PolarHBondContact O-N 3.42Å; L300-R303 WeakPolarHBondContact O-CB 3.46Å; L300-R303 PolarHBondContact O-N 2.71Å; L301-R303 VanDerWaalsContact C-N 3.31Å; L301-R303 PolarHBondContact O-N 3.02Å; R303-Y306 WeakPolarHBondContact O-CB 3.4Å; R303-Y306 PolarHBondContact O-N 3.45Å; R303-L307 HydrophobicContact CG-CD1 4.48Å; R303-L307 WeakPolarHBondContact O-CG 3.37Å; R303-L307 PolarHBondContact O-N 2.99Å; R303-D381 WeakPolarHBondContact CD-OD1 3.09Å; R303-D381 IonicContact CZ-OD1 2.72Å; R303-D381 IonicContact NE-OD1 3.59Å; R303-D381 PolarHBondContact NE-OD1 3.23Å; R303-S382 PolarHBondContact NH2-O 2.81Å; R303-N383 PolarHBondContact NH1-OD1 3.02Å; R303-N383 PolarHBondContact NH2-OD1 2.94Å
304R90.8Very high87.1Confident4 Ų453.2 Ų53.22%0.01524%0.244CC..Hα-helixtrans-62.9-45178-67.6-49.7-170.4169.7-16.9112.2L300 L301 Y306 L307 I308 L380 V389 E394 W415L300-R304 HydrophobicContact CD2-CG 3.98Å; L300-R304 WeakPolarHBondContact O-CG 3.26Å; L300-R304 PolarHBondContact O-N 3.33Å; L301-R304 PolarHBondContact O-N 3.14Å; R304-Y306 VanDerWaalsContact C-N 3.27Å; R304-Y306 PolarHBondContact O-N 3.02Å; R304-L307 WeakPolarHBondContact O-CA 3.18Å; R304-L307 WeakPolarHBondContact O-CB 3.43Å; R304-L307 PolarHBondContact O-N 3.5Å; R304-I308 WeakPolarHBondContact O-CG1 3.48Å; R304-I308 PolarHBondContact O-N 3.43Å; R304-L380 VanDerWaalsContact NH2-C 3.31Å; R304-L380 PolarHBondContact NH2-O 3.15Å; R304-V389 PolarHBondContact NH1-O 3.04Å; R304-E394 VanDerWaalsContact CD-OE1 3.25Å; R304-E394 WeakPolarHBondContact CD-OE1 3.38Å; R304-E394 IonicContact NE-OE1 3.7Å; R304-E394 IonicContact NH1-OE1 3.81Å; R304-E394 IonicContact NH1-OE2 2.71Å; R304-W415 HydrophobicContact CB-CH2 3.87Å; R304-W415 HydrophobicContact CB-CZ2 3.68Å
305S92.2Very high88.1Confident41 Ų4156.2 Ų56.229%0.28726%0.255SS..Hα-helixtrans-57.4-40.4173.4-62.30000112.2L301 I308 E309 W415L301-S305 PolarHBondContact O-N 3.44Å; L301-S305 PolarHBondContact O-OG 3.09Å; S305-I308 PolarHBondContact O-N 2.97Å; S305-E309 PolarHBondContact O-N 3.36Å; S305-E309 VanDerWaalsContact O-N 3.12Å; S305-W415 PolarHBondContact OG-NE1 2.57Å
306Y93.4Very high88.9Confident116 Ų11658.2 Ų58.246%0.45526%0.262SS..Hα-helixtrans-63.5-40.8172.7165.5-101.1000112.9K302 R303 R304 I308 E309 K310 I454K302-Y306 WeakPolarHBondContact O-CB 3.23Å; K302-Y306 PolarHBondContact O-N 2.88Å; R303-Y306 WeakPolarHBondContact O-CB 3.4Å; R303-Y306 PolarHBondContact O-N 3.45Å; R304-Y306 VanDerWaalsContact C-N 3.27Å; R304-Y306 PolarHBondContact O-N 3.02Å; Y306-I308 VanDerWaalsContact C-N 3.33Å; Y306-E309 PolarHBondContact O-N 3.21Å; Y306-K310 HydrophobicContact CE1-CG 4.06Å; Y306-K310 HydrophobicContact CE2-CG 4.1Å; Y306-K310 VanDerWaalsContact CZ-CE 3.46Å; Y306-K310 PolarHBondContact O-N 2.9Å; Y306-K310 WeakPolarHBondContact OH-CE 3.04Å; Y306-I454 HydrophobicContact CD2-CD1 4.19Å; Y306-I454 HydrophobicContact CE2-CD1 4.01Å; Y306-I454 HydrophobicContact CE2-CG2 4.36Å
307L93.8Very high89.9Confident11 Ų1150.4 Ų50.46%0.05823%0.226CC..Hα-helixtrans-66.2-34.8176.6-66.3175.8000112.2R303 R304 K310 A311 P388 I390R303-L307 HydrophobicContact CG-CD1 4.48Å; R303-L307 WeakPolarHBondContact O-CG 3.37Å; R303-L307 PolarHBondContact O-N 2.99Å; R304-L307 WeakPolarHBondContact O-CA 3.18Å; R304-L307 WeakPolarHBondContact O-CB 3.43Å; R304-L307 PolarHBondContact O-N 3.5Å; L307-K310 WeakPolarHBondContact O-CB 3.38Å; L307-K310 PolarHBondContact O-N 3.28Å; L307-A311 WeakPolarHBondContact O-CB 3.19Å; L307-A311 PolarHBondContact O-N 2.9Å; L307-P388 HydrophobicContact CD2-CB 3.89Å; L307-I390 HydrophobicContact CB-CG2 3.81Å
308I93.8Very high90.7Very high1 Ų149.9 Ų49.91%0.00522%0.223CC..Hα-helixtrans-61.6-46.6171.9-67.3-67.7000110.8R304 S305 Y306 K310 A311 K312 E394 A398 W415R304-I308 WeakPolarHBondContact O-CG1 3.48Å; R304-I308 PolarHBondContact O-N 3.43Å; S305-I308 PolarHBondContact O-N 2.97Å; Y306-I308 VanDerWaalsContact C-N 3.33Å; I308-K310 VanDerWaalsContact C-N 3.31Å; I308-K310 PolarHBondContact O-N 2.75Å; I308-A311 WeakPolarHBondContact O-CA 3.46Å; I308-A311 WeakPolarHBondContact O-CB 3.47Å; I308-A311 PolarHBondContact O-N 2.84Å; I308-K312 WeakPolarHBondContact O-CG 3.36Å; I308-K312 PolarHBondContact O-N 2.9Å; I308-E394 HydrophobicContact CD1-CB 3.42Å; I308-E394 VanDerWaalsContact CD1-CB 3.42Å; I308-E394 HydrophobicContact CD1-CG 3.75Å; I308-E394 WeakPolarHBondContact CD1-O 3.29Å; I308-A398 HydrophobicContact CG2-CB 4.36Å; I308-W415 HydrophobicContact CD1-CD2 4.22Å; I308-W415 HydrophobicContact CD1-CE3 4.05Å; I308-W415 HydrophobicContact CD1-CZ3 4.43Å; I308-W415 HydrophobicContact CG1-CD2 3.71Å; I308-W415 HydrophobicContact CG1-CE3 4Å; I308-W415 HydrophobicContact CG1-CG 4.01Å; I308-W415 HydrophobicContact CG1-CZ2 4.34Å; I308-W415 HydrophobicContact CG1-CZ3 4.41Å; I308-W415 HydrophobicContact CG2-CB 4.34Å; I308-W415 HydrophobicContact CG2-CG 4.29Å
309E93.1Very high91.4Very high38 Ų3844.4 Ų44.418%0.17819%0.194CC..Hα-helixtrans-61.7-39.9175.6-71.2-57.8138.900111.6S305 Y306 A311 K312 I454S305-E309 PolarHBondContact O-N 3.36Å; S305-E309 VanDerWaalsContact O-N 3.12Å; Y306-E309 PolarHBondContact O-N 3.21Å; E309-A311 VanDerWaalsContact C-N 3.28Å; E309-A311 PolarHBondContact O-N 3.26Å; E309-K312 WeakPolarHBondContact O-CB 3.1Å; E309-K312 PolarHBondContact O-N 2.85Å; E309-K312 WeakPolarHBondContact OE1-CE 3.48Å; E309-K312 IonicContact OE1-NZ 3.55Å; E309-K312 PolarHBondContact OE1-NZ 3.41Å; E309-K312 IonicContact OE2-NZ 3.67Å; E309-I454 VanDerWaalsContact C-CD1 3.49Å; E309-I454 HydrophobicContact CB-CD1 3.56Å; E309-I454 HydrophobicContact CB-CG1 3.83Å
310K93.7Very high91.9Very high63 Ų6335.3 Ų35.327%0.27416%0.16SC..Hα-helixtrans-62.4-37.4171.9-77.7-64.8-175.7-173.30112.2Y306 L307 I308 K312 D313 A314 P388 I454Y306-K310 HydrophobicContact CE1-CG 4.06Å; Y306-K310 HydrophobicContact CE2-CG 4.1Å; Y306-K310 VanDerWaalsContact CZ-CE 3.46Å; Y306-K310 PolarHBondContact O-N 2.9Å; Y306-K310 WeakPolarHBondContact OH-CE 3.04Å; L307-K310 WeakPolarHBondContact O-CB 3.38Å; L307-K310 PolarHBondContact O-N 3.28Å; I308-K310 VanDerWaalsContact C-N 3.31Å; I308-K310 PolarHBondContact O-N 2.75Å; K310-K312 VanDerWaalsContact C-N 3.34Å; K310-D313 PolarHBondContact O-N 2.98Å; K310-A314 PolarHBondContact O-N 3.46Å; K310-P388 HydrophobicContact CB-CG 4.43Å; K310-I454 HydrophobicContact CB-CD1 4.2Å; K310-I454 HydrophobicContact CD-CD1 3.5Å; K310-I454 VanDerWaalsContact CD-CD1 3.5Å; K310-I454 HydrophobicContact CG-CD1 3.55Å; K310-I454 VanDerWaalsContact N-CD1 3.31Å
311A95.3Very high92.4Very high0 Ų035 Ų350%016%0.158CC..Hα-helixtrans-67.5-35.1178.900000111.8L307 I308 E309 D313 A314 R345 L368 I390 A398L307-A311 WeakPolarHBondContact O-CB 3.19Å; L307-A311 PolarHBondContact O-N 2.9Å; I308-A311 WeakPolarHBondContact O-CA 3.46Å; I308-A311 WeakPolarHBondContact O-CB 3.47Å; I308-A311 PolarHBondContact O-N 2.84Å; E309-A311 VanDerWaalsContact C-N 3.28Å; E309-A311 PolarHBondContact O-N 3.26Å; A311-D313 PolarHBondContact O-N 3.02Å; A311-A314 PolarHBondContact O-N 3.31Å; A311-R345 PolarHBondContact O-NH1 3.35Å; A311-L368 HydrophobicContact CB-CD1 4.08Å; A311-L368 HydrophobicContact CB-CD2 3.75Å; A311-I390 HydrophobicContact CB-CD1 3.72Å; A311-A398 HydrophobicContact CB-CB 3.7Å
312K93Very high92.5Very high34 Ų3433.6 Ų33.615%0.14815%0.151CC..Hα-helixtrans-57.1-40173.3-67.8176.9-173.5-179.30111.8I308 E309 K310 R345 A398 S401I308-K312 WeakPolarHBondContact O-CG 3.36Å; I308-K312 PolarHBondContact O-N 2.9Å; E309-K312 WeakPolarHBondContact O-CB 3.1Å; E309-K312 PolarHBondContact O-N 2.85Å; E309-K312 WeakPolarHBondContact OE1-CE 3.48Å; E309-K312 IonicContact OE1-NZ 3.55Å; E309-K312 PolarHBondContact OE1-NZ 3.41Å; E309-K312 IonicContact OE2-NZ 3.67Å; K310-K312 VanDerWaalsContact C-N 3.34Å; K312-R345 PolarHBondContact O-NH1 2.78Å; K312-R345 PolarHBondContact O-NH2 2.7Å; K312-A398 HydrophobicContact CG-CB 4.21Å; K312-S401 VanDerWaalsContact CE-CB 3.42Å
313D91.7Very high92.3Very high31 Ų3126.3 Ų26.317%0.16612%0.12CC..Hα-helixtrans-79.6-19.9-178.2-66.3-26000114.5K310 A311 Q315 S452 H459K310-D313 PolarHBondContact O-N 2.98Å; A311-D313 PolarHBondContact O-N 3.02Å; D313-Q315 PolarHBondContact O-N 3.24Å; D313-S452 VanDerWaalsContact OD1-CB 3.24Å; D313-S452 WeakPolarHBondContact OD1-CB 3.48Å; D313-S452 PolarHBondContact OD1-OG 2.99Å; D313-S452 WeakPolarHBondContact OD2-CB 3.46Å; D313-S452 PolarHBondContact OD2-OG 3.26Å; D313-H459 IonicContact OD1-CE1 2.76Å; D313-H459 IonicContact OD1-ND1 3.95Å
314A93.2Very high91.8Very high3 Ų324.8 Ų24.83%0.02512%0.116CC..  trans-71.1126.3-171.500000113.5K310 A311 I317 R345 Q367 L368K310-A314 PolarHBondContact O-N 3.46Å; A311-A314 PolarHBondContact O-N 3.31Å; A314-I317 HydrophobicContact CB-CD1 4.27Å; A314-I317 HydrophobicContact CB-CG1 4.09Å; A314-R345 WeakPolarHBondContact O-CD 3.41Å; A314-R345 PolarHBondContact O-NH1 2.92Å; A314-Q367 HydrophobicContact CB-CB 4.2Å; A314-L368 HydrophobicContact CB-CB 3.61Å; A314-L368 HydrophobicContact CB-CD2 3.89Å; A314-L368 HydrophobicContact CB-CG 4.35Å
315Q91Very high91.3Very high70 Ų7025 Ų2533%0.32712%0.118SC..SBendtrans-104.5-30.9178.1-64.7-59.9-42.400113.3D313 S346D313-Q315 PolarHBondContact O-N 3.24Å; Q315-S346 PolarHBondContact O-N 3.06Å
316Y93.1Very high91Very high57 Ų5723.2 Ų23.222%0.22411%0.106CC..EExtended strand (participates in β ladder)trans-112.2109.9178.1-59.3-87.1000110E365 Q367 Q493Y316-E365 WeakPolarHBondContact CB-O 3.48Å; Y316-Q367 PolarHBondContact O-N 3.34Å; Y316-Q493 HydrophobicContact CE1-CB 4.3Å; Y316-Q493 PolarHBondContact OH-NE2 3.19Å; Y316-Q493 PolarHBondContact OH-OE1 2.99Å
317I95.9Very high90.7Very high1 Ų120.5 Ų20.51%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-123.3130-165.6-61173.3000110.1A314 L340 R345 S346 C347 I348 L368 I370 M395A314-I317 HydrophobicContact CB-CD1 4.27Å; A314-I317 HydrophobicContact CB-CG1 4.09Å; I317-L340 HydrophobicContact CB-CD1 4.5Å; I317-L340 HydrophobicContact CD1-CD2 3.54Å; I317-L340 HydrophobicContact CG2-CD1 4.23Å; I317-R345 HydrophobicContact CD1-CB 4.21Å; I317-S346 PolarHBondContact N-O 2.71Å; I317-C347 WeakPolarHBondContact O-CA 3.41Å; I317-I348 PolarHBondContact O-N 3.1Å; I317-I348 VanDerWaalsContact O-N 3.08Å; I317-L368 WeakPolarHBondContact CA-O 3.15Å; I317-L368 HydrophobicContact CD1-CD2 4.12Å; I317-L368 HydrophobicContact CG1-CB 4.28Å; I317-L368 HydrophobicContact CG1-CD2 4.16Å; I317-L368 HydrophobicContact CG2-CD2 4.32Å; I317-I370 HydrophobicContact CG2-CD1 3.6Å; I317-I370 HydrophobicContact CG2-CG1 3.76Å; I317-M395 HydrophobicContact CD1-CE 3.66Å; I317-M395 HydrophobicContact CD1-SD 4.11Å
318G94.6Very high90.5Very high0 Ų024.3 Ų24.30%011%0.114CC..EExtended strand (participates in β ladder)trans-95.1125.917100000111.3L320 I348 L368 L369 I370G318-L320 PolarHBondContact O-N 3.18Å; G318-I348 CarbonylContact C-O 3.41Å; G318-I348 WeakPolarHBondContact CA-O 3.22Å; G318-L368 PolarHBondContact N-O 2.94Å; G318-L369 CarbonylContact O-C 3.52Å; G318-L369 VanDerWaalsContact O-CA 3.28Å; G318-L369 WeakPolarHBondContact O-CA 3.14Å; G318-I370 PolarHBondContact O-N 2.8Å
319I95.5Very high90.4Very high0 Ų026.1 Ų26.10%012%0.121CC..EExtended strand (participates in β ladder)trans-85.1104.8165.9-60.3172.8000107.1V321 I333 L336 K337 L340 I348 T349 L350 I370 I372I319-V321 HydrophobicContact CG2-CG2 4.46Å; I319-I333 HydrophobicContact CG2-CG1 4.35Å; I319-L336 HydrophobicContact CD1-CB 3.86Å; I319-L336 HydrophobicContact CG2-CD1 4.41Å; I319-K337 HydrophobicContact CD1-CG 3.89Å; I319-L340 HydrophobicContact CD1-CD1 4.18Å; I319-L340 HydrophobicContact CG1-CD1 4.28Å; I319-I348 PolarHBondContact N-O 3.19Å; I319-T349 CarbonylContact O-C 3.51Å; I319-T349 WeakPolarHBondContact O-CA 3.32Å; I319-L350 PolarHBondContact O-N 2.89Å; I319-I370 HydrophobicContact CG1-CD1 4.46Å; I319-I372 HydrophobicContact CG2-CD1 3.4Å; I319-I372 VanDerWaalsContact CG2-CD1 3.4Å; I319-I372 HydrophobicContact CG2-CG1 4.28Å
320L92.6Very high90.3Very high0 Ų028.3 Ų28.30%013%0.131CC..EExtended strand (participates in β ladder)trans-94.3112.9-177.1178.565.8000110.5G318 L350 V352 L355 I370 L371 I372G318-L320 PolarHBondContact O-N 3.18Å; L320-L350 HydrophobicContact CD1-CB 4.16Å; L320-V352 HydrophobicContact CD1-CB 3.82Å; L320-V352 HydrophobicContact CD1-CG2 3.63Å; L320-L355 HydrophobicContact CD2-CD1 3.47Å; L320-L355 VanDerWaalsContact CD2-CD1 3.47Å; L320-L355 HydrophobicContact CD2-CD2 4.25Å; L320-L355 HydrophobicContact CD2-CG 4.44Å; L320-I370 PolarHBondContact N-O 2.94Å; L320-L371 HydrophobicContact CD2-CD1 3.88Å; L320-L371 HydrophobicContact CG-CD1 4.15Å; L320-I372 PolarHBondContact O-N 2.79Å
321V91.7Very high90.4Very high0 Ų030.6 Ų30.60%014%0.142CC..EExtended strand (participates in β ladder)trans-98.1110.6179.8-173.20000109.3I319 T323 Y329 I333 T349 L350 I351 V352 I372I319-V321 HydrophobicContact CG2-CG2 4.46Å; V321-T323 WeakPolarHBondContact CG1-O 3.43Å; V321-Y329 HydrophobicContact CG1-CD2 3.92Å; V321-Y329 HydrophobicContact CG1-CE2 4.17Å; V321-I333 HydrophobicContact CG2-CD1 3.55Å; V321-I333 HydrophobicContact CG2-CG1 4.06Å; V321-T349 HydrophobicContact CG2-CG2 3.86Å; V321-L350 PolarHBondContact N-O 2.94Å; V321-I351 HydrophobicContact CB-CG1 4.28Å; V321-V352 PolarHBondContact O-N 3.33Å; V321-I372 HydrophobicContact CG2-CD1 4.29Å
322C86.8Confident90.4Very high11 Ų1130.6 Ų30.67%0.07414%0.142CC..  trans-111.229.6178.9-71.30000112.3L371 I372 A373C322-L371 HydrophobicContact CB-CD1 3.9Å; C322-L371 VanDerWaalsContact SG-CD1 3.59Å; C322-I372 PolarHBondContact N-O 2.83Å; C322-A373 HydrophobicContact CB-CB 4.29Å
323T83.9Confident90.6Very high2 Ų229.2 Ų29.21%0.01214%0.137CC..  trans-150.9139.6178.8179.70000111.1V321 I326 I372V321-T323 WeakPolarHBondContact CG1-O 3.43Å; T323-I326 HydrophobicContact CG2-CB 4.45Å; T323-I326 HydrophobicContact CG2-CD1 3.98Å; T323-I326 WeakPolarHBondContact OG1-CB 3.36Å; T323-I326 WeakPolarHBondContact OG1-CD1 3.34Å; T323-I326 WeakPolarHBondContact OG1-CG1 3.4Å; T323-I326 PolarHBondContact OG1-N 3.01Å; T323-I372 HydrophobicContact CG2-CG2 4.2Å
324L78.3Confident90.8Very high37 Ų3731.6 Ų31.619%0.19415%0.149CC..SBendtrans-121.6-13.6172.8-63.9-176000113.6F69 I77 I351F69-L324 HydrophobicContact CE1-CD1 4.17Å; F69-L324 HydrophobicContact CE1-CG 4.17Å; F69-L324 HydrophobicContact CE2-CB 4.46Å; F69-L324 HydrophobicContact CE2-CD1 3.55Å; F69-L324 HydrophobicContact CE2-CG 3.91Å; F69-L324 HydrophobicContact CZ-CD1 3.27Å; F69-L324 HydrophobicContact CZ-CG 3.67Å; I77-L324 HydrophobicContact CG1-CB 4.16Å; I77-L324 HydrophobicContact CG1-CD1 4.07Å; L324-I351 HydrophobicContact CD2-CG2 4.32Å
325S80.5Confident91Very high8 Ų832.3 Ų32.36%0.05615%0.151CC..SBendtrans-106.2-14.7-169.7-47.20000113.3V74 T98 T99V74-S325 WeakPolarHBondContact O-CB 3.23Å; V74-S325 PolarHBondContact O-OG 3.14Å; T98-S325 CarbonylContact C-O 3.21Å; T98-S325 VanDerWaalsContact CA-O 3.26Å; T98-S325 WeakPolarHBondContact CA-O 3.3Å; T99-S325 PolarHBondContact N-O 3.33Å; T99-S325 VanDerWaalsContact N-O 3.12Å
326I86.5Confident91.3Very high5 Ų529 Ų293%0.02614%0.136CC..BIsolated β-bridgetrans-79138.3-179.9-59.8170.8000109.1E97 T323 Y329 C374 F424 H425E97-I326 WeakPolarHBondContact O-CA 3Å; T323-I326 HydrophobicContact CG2-CB 4.45Å; T323-I326 HydrophobicContact CG2-CD1 3.98Å; T323-I326 WeakPolarHBondContact OG1-CB 3.36Å; T323-I326 WeakPolarHBondContact OG1-CD1 3.34Å; T323-I326 WeakPolarHBondContact OG1-CG1 3.4Å; T323-I326 PolarHBondContact OG1-N 3.01Å; I326-Y329 VanDerWaalsContact O-CD1 3.28Å; I326-Y329 WeakPolarHBondContact O-CD1 3.4Å; I326-C374 VanDerWaalsContact CD1-CA 3.42Å; I326-C374 HydrophobicContact CD1-CB 3.39Å; I326-F424 HydrophobicContact CG2-CE1 4.2Å; I326-F424 HydrophobicContact CG2-CZ 3.72Å; I326-H425 VanDerWaalsContact CG2-CE1 3.45Å; I326-H425 WeakPolarHBondContact CG2-CE1 3.38Å
327K87.2Confident91.6Very high59 Ų5930.3 Ų30.326%0.25714%0.143SC..THydrogen-bonded Turntrans-60.4158.3174.5-79.6-171.1-177.3169.40112.7E97 T98 T99 Y329 H425E97-K327 HydrophobicContact CB-CD 4.41Å; E97-K327 HydrophobicContact CG-CD 3.76Å; E97-K327 HydrophobicContact CG-CG 4.37Å; E97-K327 PolarHBondContact O-N 3.29Å; E97-K327 WeakPolarHBondContact OE1-CD 3.26Å; E97-K327 WeakPolarHBondContact OE1-CE 3.31Å; E97-K327 IonicContact OE1-NZ 3.04Å; E97-K327 PolarHBondContact OE1-NZ 3.32Å; T98-K327 WeakPolarHBondContact O-CE 3.29Å; T98-K327 WeakPolarHBondContact O-CG 3.37Å; T99-K327 HydrophobicContact CG2-CG 4.5Å; K327-Y329 PolarHBondContact O-N 3.18Å; K327-H425 PolarHBondContact O-NE2 3.06Å
328H89.7Confident91.6Very high91 Ų9132.5 Ų32.542%0.42116%0.158SC..THydrogen-bonded Turntrans5312.8171.3-48130.9000118.1Q330 H331 I332 H425 L428H328-Q330 PolarHBondContact O-N 3Å; H328-Q330 VanDerWaalsContact O-N 3.15Å; H328-H331 AromaticContact CD2-CD2 3.91Å; H328-H331 AromaticContact CD2-NE2 3.96Å; H328-H331 WeakPolarHBondContact O-CB 3.37Å; H328-H331 PolarHBondContact O-N 3.13Å; H328-I332 PolarHBondContact O-N 3.27Å; H328-H425 AromaticContact ND1-CD2 3.99Å; H328-L428 HydrophobicContact CB-CD1 3.89Å
329Y90.9Very high91.6Very high38 Ų3832.5 Ų32.515%0.14916%0.158CC..Hα-helixtrans-60.7-27.917978.2-85.6000112.9V321 I326 K327 I332 I333V321-Y329 HydrophobicContact CG1-CD2 3.92Å; V321-Y329 HydrophobicContact CG1-CE2 4.17Å; I326-Y329 VanDerWaalsContact O-CD1 3.28Å; I326-Y329 WeakPolarHBondContact O-CD1 3.4Å; K327-Y329 PolarHBondContact O-N 3.18Å; Y329-I332 WeakPolarHBondContact O-CG2 3.42Å; Y329-I332 PolarHBondContact O-N 3.47Å; Y329-I333 HydrophobicContact CD2-CD1 3.87Å; Y329-I333 HydrophobicContact CE2-CD1 4.17Å; Y329-I333 WeakPolarHBondContact O-CG1 3.46Å; Y329-I333 PolarHBondContact O-N 3.27Å
330Q92Very high91.6Very high84 Ų8432.5 Ų32.539%0.39316%0.158SC..Hα-helixtrans-64.6-39.1173.4-68.5-66.2-17.600112.1H328 I332 I333 D334H328-Q330 PolarHBondContact O-N 3Å; H328-Q330 VanDerWaalsContact O-N 3.15Å; Q330-I332 VanDerWaalsContact C-N 3.32Å; Q330-I332 PolarHBondContact O-N 2.65Å; Q330-I333 WeakPolarHBondContact O-CB 3.46Å; Q330-I333 PolarHBondContact O-N 3.25Å; Q330-I333 VanDerWaalsContact O-N 3.11Å; Q330-D334 PolarHBondContact O-N 3.24Å
331H95.1Very high91.6Very high111 Ų11137.2 Ų37.251%0.51418%0.18SC..Hα-helixtrans-64.2-37179.8-64.9-95.2000112.1H328 D334 R335 L428H328-H331 AromaticContact CD2-CD2 3.91Å; H328-H331 AromaticContact CD2-NE2 3.96Å; H328-H331 WeakPolarHBondContact O-CB 3.37Å; H328-H331 PolarHBondContact O-N 3.13Å; H331-D334 PolarHBondContact O-N 3.38Å; H331-R335 WeakPolarHBondContact O-CB 3.1Å; H331-R335 PolarHBondContact O-N 2.88Å; H331-L428 HydrophobicContact CB-CD1 3.99Å; H331-L428 HydrophobicContact CB-CD2 3.95Å
332I95.6Very high91.6Very high0 Ų041.1 Ų41.10%020%0.195CC..Hα-helixtrans-72-33175.7-170.970000111.6H328 Y329 Q330 R335 L336 I372 P392 F424 L427 L428H328-I332 PolarHBondContact O-N 3.27Å; Y329-I332 WeakPolarHBondContact O-CG2 3.42Å; Y329-I332 PolarHBondContact O-N 3.47Å; Q330-I332 VanDerWaalsContact C-N 3.32Å; Q330-I332 PolarHBondContact O-N 2.65Å; I332-R335 PolarHBondContact O-N 3.46Å; I332-L336 HydrophobicContact CD1-CG 4.49Å; I332-L336 HydrophobicContact CG1-CD1 4.17Å; I332-L336 HydrophobicContact CG1-CG 4.33Å; I332-L336 WeakPolarHBondContact O-CB 3.38Å; I332-L336 VanDerWaalsContact O-CG 3.26Å; I332-L336 WeakPolarHBondContact O-CG 3.47Å; I332-L336 PolarHBondContact O-N 3.33Å; I332-I372 HydrophobicContact CG2-CD1 3.99Å; I332-I372 HydrophobicContact CG2-CG1 4.29Å; I332-I372 HydrophobicContact CG2-CG2 3.9Å; I332-P392 HydrophobicContact CD1-CB 4.16Å; I332-P392 HydrophobicContact CG1-CB 4.16Å; I332-P392 HydrophobicContact CG1-CG 4.28Å; I332-F424 HydrophobicContact CB-CB 4.41Å; I332-F424 HydrophobicContact CB-CD2 3.88Å; I332-F424 HydrophobicContact CB-CG 4.34Å; I332-F424 HydrophobicContact CD1-CB 4.34Å; I332-F424 HydrophobicContact CG1-CB 3.97Å; I332-F424 HydrophobicContact CG1-CD2 4.38Å; I332-F424 HydrophobicContact CG1-CG 4.4Å; I332-F424 HydrophobicContact CG2-CB 4.41Å; I332-F424 HydrophobicContact CG2-CD2 3.57Å; I332-F424 HydrophobicContact CG2-CE2 3.92Å; I332-F424 HydrophobicContact CG2-CG 3.94Å; I332-L427 HydrophobicContact CD1-CB 4.29Å; I332-L427 HydrophobicContact CD1-CD1 4.34Å; I332-L428 HydrophobicContact CB-CD2 4.08Å; I332-L428 HydrophobicContact CD1-CD2 4.11Å
333I96.2Very high91.8Very high5 Ų541 Ų413%0.02620%0.195CC..Hα-helixtrans-60.4-49.2171.7-65.7166.6000109.9I319 V321 Y329 Q330 R335 L336 K337 T349 I372I319-I333 HydrophobicContact CG2-CG1 4.35Å; V321-I333 HydrophobicContact CG2-CD1 3.55Å; V321-I333 HydrophobicContact CG2-CG1 4.06Å; Y329-I333 HydrophobicContact CD2-CD1 3.87Å; Y329-I333 HydrophobicContact CE2-CD1 4.17Å; Y329-I333 WeakPolarHBondContact O-CG1 3.46Å; Y329-I333 PolarHBondContact O-N 3.27Å; Q330-I333 WeakPolarHBondContact O-CB 3.46Å; Q330-I333 PolarHBondContact O-N 3.25Å; Q330-I333 VanDerWaalsContact O-N 3.11Å; I333-R335 PolarHBondContact O-N 3.03Å; I333-L336 PolarHBondContact O-N 2.94Å; I333-K337 HydrophobicContact CG2-CD 4.06Å; I333-K337 HydrophobicContact CG2-CG 4.38Å; I333-K337 WeakPolarHBondContact O-CB 3.22Å; I333-K337 WeakPolarHBondContact O-CG 3.06Å; I333-K337 PolarHBondContact O-N 3.2Å; I333-T349 HydrophobicContact CD1-CG2 4.47Å; I333-T349 HydrophobicContact CG2-CG2 4.35Å; I333-I372 HydrophobicContact CB-CD1 4.49Å; I333-I372 HydrophobicContact CD1-CD1 4.46Å; I333-I372 HydrophobicContact CG1-CD1 3.45Å; I333-I372 VanDerWaalsContact CG1-CD1 3.45Å
334D96.8Very high92.1Very high81 Ų8145 Ų4543%0.43321%0.212SC..Hα-helixtrans-64.5-40.6-178.7-65.6-27000112Q330 H331 K337 S338Q330-D334 PolarHBondContact O-N 3.24Å; H331-D334 PolarHBondContact O-N 3.38Å; D334-K337 PolarHBondContact O-N 3.48Å; D334-S338 WeakPolarHBondContact O-CB 3.49Å; D334-S338 PolarHBondContact O-N 3.16Å; D334-S338 PolarHBondContact O-OG 3.43Å
335R97.5Very high92.8Very high19 Ų1944.1 Ų44.17%0.07221%0.206CC..Hα-helixtrans-60.3-48.4173.7-177.9178.2168.287.5-4.5111.4H331 I332 I333 S338 L339 E396 L427 I435 L437H331-R335 WeakPolarHBondContact O-CB 3.1Å; H331-R335 PolarHBondContact O-N 2.88Å; I332-R335 PolarHBondContact O-N 3.46Å; I333-R335 PolarHBondContact O-N 3.03Å; R335-S338 PolarHBondContact O-N 2.85Å; R335-L339 WeakPolarHBondContact O-CB 3.18Å; R335-L339 PolarHBondContact O-N 3.11Å; R335-E396 IonicContact CZ-OE1 2.7Å; R335-E396 VanDerWaalsContact CZ-OE1 3.29Å; R335-E396 IonicContact CZ-OE2 3.09Å; R335-E396 IonicContact NE-OE1 2.68Å; R335-E396 PolarHBondContact NE-OE1 2.73Å; R335-E396 VanDerWaalsContact NH2-CD 3.27Å; R335-E396 IonicContact NH2-OE1 2.79Å; R335-E396 PolarHBondContact NH2-OE1 3.14Å; R335-E396 IonicContact NH2-OE2 3.21Å; R335-E396 PolarHBondContact NH2-OE2 3.07Å; R335-L427 PolarHBondContact NE-O 3.43Å; R335-I435 PolarHBondContact NH1-O 3.18Å; R335-I435 PolarHBondContact NH2-O 3.14Å; R335-L437 HydrophobicContact CG-CD2 3.94Å
336L97.7Very high93.4Very high0 Ų046.1 Ų46.10%022%0.22CC..Hα-helixtrans-65.2-42179.3-74172.7000112I319 I332 I333 S338 L339 L340 I370 I372 P392I319-L336 HydrophobicContact CD1-CB 3.86Å; I319-L336 HydrophobicContact CG2-CD1 4.41Å; I332-L336 HydrophobicContact CD1-CG 4.49Å; I332-L336 HydrophobicContact CG1-CD1 4.17Å; I332-L336 HydrophobicContact CG1-CG 4.33Å; I332-L336 WeakPolarHBondContact O-CB 3.38Å; I332-L336 VanDerWaalsContact O-CG 3.26Å; I332-L336 WeakPolarHBondContact O-CG 3.47Å; I332-L336 PolarHBondContact O-N 3.33Å; I333-L336 PolarHBondContact O-N 2.94Å; L336-S338 VanDerWaalsContact C-N 3.34Å; L336-S338 PolarHBondContact O-N 2.72Å; L336-L339 PolarHBondContact O-N 3.29Å; L336-L340 VanDerWaalsContact O-CB 3.32Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 WeakPolarHBondContact O-CG 3.48Å; L336-L340 PolarHBondContact O-N 3.03Å; L336-I370 HydrophobicContact CD1-CG2 3.78Å; L336-I370 HydrophobicContact CD2-CD1 4.3Å; L336-I372 HydrophobicContact CD1-CD1 4.05Å; L336-I372 HydrophobicContact CD1-CG1 4.27Å; L336-P392 HydrophobicContact CD1-CB 4.18Å; L336-P392 HydrophobicContact CD1-CG 4.28Å; L336-P392 HydrophobicContact CD2-CB 4.27Å
337K97.8Very high93.8Very high85 Ų8547.9 Ų47.937%0.3723%0.233SC..Hα-helixtrans-58.1-47.5174.3-77.4178.1176.5175.90111.4I319 I333 D334 L340 H341 T349I319-K337 HydrophobicContact CD1-CG 3.89Å; I333-K337 HydrophobicContact CG2-CD 4.06Å; I333-K337 HydrophobicContact CG2-CG 4.38Å; I333-K337 WeakPolarHBondContact O-CB 3.22Å; I333-K337 WeakPolarHBondContact O-CG 3.06Å; I333-K337 PolarHBondContact O-N 3.2Å; D334-K337 PolarHBondContact O-N 3.48Å; K337-L340 PolarHBondContact O-N 3.49Å; K337-H341 VanDerWaalsContact O-CB 3.25Å; K337-H341 WeakPolarHBondContact O-CB 3.37Å; K337-H341 PolarHBondContact O-N 3.1Å; K337-T349 WeakPolarHBondContact CE-OG1 3Å
338S95.9Very high94.1Very high46 Ų4647.4 Ų47.432%0.32223%0.232SC..Hα-helixtrans-60.4-49.4178-57.10000110.9D334 R335 L336 L340 H341 Y342D334-S338 WeakPolarHBondContact O-CB 3.49Å; D334-S338 PolarHBondContact O-N 3.16Å; D334-S338 PolarHBondContact O-OG 3.43Å; R335-S338 PolarHBondContact O-N 2.85Å; L336-S338 VanDerWaalsContact C-N 3.34Å; L336-S338 PolarHBondContact O-N 2.72Å; S338-L340 PolarHBondContact O-N 3.04Å; S338-H341 PolarHBondContact O-N 3.1Å; S338-Y342 WeakPolarHBondContact O-CD2 3.29Å; S338-Y342 PolarHBondContact O-N 3.36Å
339L95.2Very high94.3Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-59.1-45.4179-170.875.7000112.2R335 L336 Y342 A343 E396 I399 L437 V440 I441R335-L339 WeakPolarHBondContact O-CB 3.18Å; R335-L339 PolarHBondContact O-N 3.11Å; L336-L339 PolarHBondContact O-N 3.29Å; L339-Y342 PolarHBondContact O-N 3.31Å; L339-A343 VanDerWaalsContact O-CB 3.32Å; L339-A343 WeakPolarHBondContact O-CB 3.42Å; L339-A343 PolarHBondContact O-N 3.26Å; L339-E396 HydrophobicContact CD2-CG 3.75Å; L339-I399 HydrophobicContact CD2-CD1 3.59Å; L339-I399 HydrophobicContact CG-CD1 3.62Å; L339-L437 HydrophobicContact CB-CD2 4Å; L339-L437 HydrophobicContact CD1-CD2 3.79Å; L339-L437 HydrophobicContact CG-CD2 4.47Å; L339-V440 HydrophobicContact CD1-CB 3.98Å; L339-V440 HydrophobicContact CD1-CG1 3.72Å; L339-V440 HydrophobicContact CD2-CG1 4.38Å; L339-I441 HydrophobicContact CD1-CB 4.27Å; L339-I441 HydrophobicContact CD1-CG2 3.85Å
340L95.4Very high94.2Very high0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-67.6-39.2178.5-70.4171.2000112.1I317 I319 L336 K337 S338 A343 K344 R345 C347 I370 M395 I399I317-L340 HydrophobicContact CB-CD1 4.5Å; I317-L340 HydrophobicContact CD1-CD2 3.54Å; I317-L340 HydrophobicContact CG2-CD1 4.23Å; I319-L340 HydrophobicContact CD1-CD1 4.18Å; I319-L340 HydrophobicContact CG1-CD1 4.28Å; L336-L340 VanDerWaalsContact O-CB 3.32Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 WeakPolarHBondContact O-CG 3.48Å; L336-L340 PolarHBondContact O-N 3.03Å; K337-L340 PolarHBondContact O-N 3.49Å; S338-L340 PolarHBondContact O-N 3.04Å; L340-A343 CarbonylContact O-C 3.54Å; L340-A343 PolarHBondContact O-N 2.88Å; L340-K344 PolarHBondContact O-N 2.86Å; L340-K344 VanDerWaalsContact O-N 3.11Å; L340-R345 HydrophobicContact CD2-CB 4.09Å; L340-R345 PolarHBondContact O-N 3.02Å; L340-C347 HydrophobicContact CB-CB 4.33Å; L340-C347 HydrophobicContact CD1-CB 3.55Å; L340-I370 HydrophobicContact CD1-CD1 4.01Å; L340-M395 HydrophobicContact CD2-CE 3.88Å; L340-M395 HydrophobicContact CD2-SD 4.46Å; L340-I399 HydrophobicContact CD2-CD1 4.18Å
341H93.1Very high93.9Very high99 Ų9946 Ų4646%0.45823%0.234SC..Hα-helixtrans-60.7-48173.9173.6-99.6000111.6K337 S338 A343 K344K337-H341 VanDerWaalsContact O-CB 3.25Å; K337-H341 WeakPolarHBondContact O-CB 3.37Å; K337-H341 PolarHBondContact O-N 3.1Å; S338-H341 PolarHBondContact O-N 3.1Å; H341-A343 VanDerWaalsContact C-N 3.27Å; H341-A343 PolarHBondContact O-N 3.36Å; H341-K344 PolarHBondContact O-N 3.05Å
342Y91.7Very high93Very high82 Ų8242 Ų4232%0.32222%0.217SC..Hα-helixtrans-64.5-32.5175.6-70.5-59.4000112.6S338 L339 K344 I441S338-Y342 WeakPolarHBondContact O-CD2 3.29Å; S338-Y342 PolarHBondContact O-N 3.36Å; L339-Y342 PolarHBondContact O-N 3.31Å; Y342-K344 PolarHBondContact O-N 3.39Å; Y342-I441 VanDerWaalsContact C-CD1 3.44Å
343A91.6Very high91.9Very high8 Ų843.2 Ų43.27%0.06623%0.23CC..THydrogen-bonded Turntrans-77.51.2173.900000113.9L339 L340 H341 R345 I399 I441L339-A343 VanDerWaalsContact O-CB 3.32Å; L339-A343 WeakPolarHBondContact O-CB 3.42Å; L339-A343 PolarHBondContact O-N 3.26Å; L340-A343 CarbonylContact O-C 3.54Å; L340-A343 PolarHBondContact O-N 2.88Å; H341-A343 VanDerWaalsContact C-N 3.27Å; H341-A343 PolarHBondContact O-N 3.36Å; A343-R345 VanDerWaalsContact C-N 3.29Å; A343-R345 HydrophobicContact CB-CG 4.22Å; A343-R345 PolarHBondContact O-N 3.36Å; A343-I399 HydrophobicContact CB-CD1 4.04Å; A343-I399 HydrophobicContact CB-CG1 4.41Å; A343-I399 HydrophobicContact CB-CG2 4.35Å; A343-I441 HydrophobicContact CB-CD1 3.8Å
344K90.4Very high90.8Very high86 Ų8650.7 Ų50.737%0.37426%0.257SS..THydrogen-bonded Turntrans55.539.8-176.4-57.6-60.3-176.2-175.60113.5L340 H341 Y342 P462L340-K344 PolarHBondContact O-N 2.86Å; L340-K344 VanDerWaalsContact O-N 3.11Å; H341-K344 PolarHBondContact O-N 3.05Å; Y342-K344 PolarHBondContact O-N 3.39Å; K344-P462 HydrophobicContact CB-CG 3.85Å; K344-P462 HydrophobicContact CG-CG 3.56Å
345R92.9Very high89.8Confident19 Ų1948.1 Ų48.17%0.07224%0.243CC..  trans-110.7135.4177-61.9176.8-174.7-136.24.9110.6A311 K312 A314 I317 L340 A343A311-R345 PolarHBondContact O-NH1 3.35Å; K312-R345 PolarHBondContact O-NH1 2.78Å; K312-R345 PolarHBondContact O-NH2 2.7Å; A314-R345 WeakPolarHBondContact O-CD 3.41Å; A314-R345 PolarHBondContact O-NH1 2.92Å; I317-R345 HydrophobicContact CD1-CB 4.21Å; L340-R345 HydrophobicContact CD2-CB 4.09Å; L340-R345 PolarHBondContact O-N 3.02Å; A343-R345 VanDerWaalsContact C-N 3.29Å; A343-R345 HydrophobicContact CB-CG 4.22Å; A343-R345 PolarHBondContact O-N 3.36Å
346S93.3Very high89Confident51 Ų5150.6 Ų50.636%0.35726%0.258SS..EExtended strand (participates in β ladder)trans-74.4131.5178.5-66.40000110.2Q315 I317Q315-S346 PolarHBondContact O-N 3.06Å; I317-S346 PolarHBondContact N-O 2.71Å
347C94.6Very high88.3Confident42 Ų4252.1 Ų52.128%0.28427%0.268SS..EExtended strand (participates in β ladder)trans-130.4146.8179.677.60000113.8I317 L340I317-C347 WeakPolarHBondContact O-CA 3.41Å; L340-C347 HydrophobicContact CB-CB 4.33Å; L340-C347 HydrophobicContact CD1-CB 3.55Å
348I93.6Very high87.7Confident49 Ų4953.6 Ų53.625%0.25128%0.276SS..EExtended strand (participates in β ladder)trans-129.8138.3170.9-172.4177.9000109.4I317 G318 I319 L350 L366 W494I317-I348 PolarHBondContact O-N 3.1Å; I317-I348 VanDerWaalsContact O-N 3.08Å; G318-I348 CarbonylContact C-O 3.41Å; G318-I348 WeakPolarHBondContact CA-O 3.22Å; I319-I348 PolarHBondContact N-O 3.19Å; I348-L350 HydrophobicContact CD1-CD2 4.02Å; I348-L350 HydrophobicContact CG1-CD2 4.29Å; I348-L350 HydrophobicContact CG2-CD2 4.32Å; I348-L350 HydrophobicContact CG2-CG 4.35Å; I348-L366 HydrophobicContact CG2-CD1 4.29Å; I348-L366 HydrophobicContact CG2-CD2 3.76Å; I348-W494 HydrophobicContact CB-CH2 3.89Å; I348-W494 HydrophobicContact CB-CZ2 4.45Å; I348-W494 HydrophobicContact CD1-CH2 3.68Å; I348-W494 HydrophobicContact CD1-CZ2 3.48Å; I348-W494 VanDerWaalsContact CD1-CZ2 3.48Å; I348-W494 HydrophobicContact CG1-CH2 3.76Å; I348-W494 HydrophobicContact CG1-CZ2 4.12Å
349T92.5Very high87Confident47 Ų4756.7 Ų56.729%0.28828%0.284SS..EExtended strand (participates in β ladder)trans-91.7125.6172.8-52.50000110.1I319 V321 I333 K337I319-T349 CarbonylContact O-C 3.51Å; I319-T349 WeakPolarHBondContact O-CA 3.32Å; V321-T349 HydrophobicContact CG2-CG2 3.86Å; I333-T349 HydrophobicContact CD1-CG2 4.47Å; I333-T349 HydrophobicContact CG2-CG2 4.35Å; K337-T349 WeakPolarHBondContact CE-OG1 3Å
350L89.9Confident86.3Confident25 Ų2557 Ų5713%0.13129%0.286CS..EExtended strand (participates in β ladder)trans-114.6122.2178-56.8173.3000108.7I319 L320 V321 I348 V352 L363 L366 L369I319-L350 PolarHBondContact O-N 2.89Å; L320-L350 HydrophobicContact CD1-CB 4.16Å; V321-L350 PolarHBondContact N-O 2.94Å; I348-L350 HydrophobicContact CD1-CD2 4.02Å; I348-L350 HydrophobicContact CG1-CD2 4.29Å; I348-L350 HydrophobicContact CG2-CD2 4.32Å; I348-L350 HydrophobicContact CG2-CG 4.35Å; L350-V352 HydrophobicContact CB-CG2 4.29Å; L350-L363 HydrophobicContact CD1-CD1 3.46Å; L350-L363 VanDerWaalsContact CD1-CD1 3.46Å; L350-L363 HydrophobicContact CD2-CD1 4.04Å; L350-L363 HydrophobicContact CG-CD1 4.4Å; L350-L366 HydrophobicContact CD1-CD1 3.71Å; L350-L369 HydrophobicContact CD1-CD2 4.14Å
351I86.3Confident85.5Confident112 Ų11260 Ų6057%0.57431%0.31SS*.EExtended strand (participates in β ladder)trans-100.4109.6170.6-57.6174.4000106.5V321 L324V321-I351 HydrophobicContact CB-CG1 4.28Å; L324-I351 HydrophobicContact CD2-CG2 4.32Å
352V75.2Confident84.9Confident27 Ų2760.2 Ų60.216%0.16432%0.315CS..  trans-125.3142.3179.3-173.10000108L320 V321 L350 K359L320-V352 HydrophobicContact CD1-CB 3.82Å; L320-V352 HydrophobicContact CD1-CG2 3.63Å; V321-V352 PolarHBondContact O-N 3.33Å; L350-V352 HydrophobicContact CB-CG2 4.29Å; V352-K359 HydrophobicContact CG1-CD 3.89Å
353G73.3Confident84.5Confident25 Ų2558.6 Ų58.626%0.25831%0.311SS..SBendtrans-60.3-132.1169.600000113.1F69 L355F69-G353 VanDerWaalsContact CD1-CA 3.43Å; G353-L355 PolarHBondContact O-N 2.77Å
354R73.1Confident84Confident161 Ų16162.8 Ų62.861%0.60834%0.338SS*.SBendtrans-56.6128.1166.8-169.2172.8-178.4159.10.6110.1D39 N356D39-R354 IonicContact OD2-NH1 2.65Å; D39-R354 PolarHBondContact OD2-NH1 3.05Å; R354-N356 PolarHBondContact O-N 3.05Å
355L75.1Confident83.7Confident27 Ų2761.1 Ų61.114%0.14133%0.331CS..  trans-66.8129.9176.1-171.261.2000109.7L320 G353 L360 L380 F385L320-L355 HydrophobicContact CD2-CD1 3.47Å; L320-L355 VanDerWaalsContact CD2-CD1 3.47Å; L320-L355 HydrophobicContact CD2-CD2 4.25Å; L320-L355 HydrophobicContact CD2-CG 4.44Å; G353-L355 PolarHBondContact O-N 2.77Å; L355-L360 HydrophobicContact CD1-CD1 3.54Å; L355-L360 HydrophobicContact CD1-CD2 3.97Å; L355-L360 HydrophobicContact CD1-CG 3.79Å; L355-L360 HydrophobicContact CD2-CD1 4.48Å; L355-L360 HydrophobicContact CG-CD1 4.23Å; L355-L380 HydrophobicContact CD2-CD1 3.27Å; L355-F385 HydrophobicContact CB-CZ 4.43Å; L355-F385 HydrophobicContact CD1-CE1 4.47Å; L355-F385 HydrophobicContact CD2-CD1 4.37Å; L355-F385 HydrophobicContact CD2-CE1 3.62Å; L355-F385 HydrophobicContact CD2-CE2 3.83Å; L355-F385 HydrophobicContact CD2-CZ 3.32Å; L355-F385 HydrophobicContact CG-CE1 3.59Å; L355-F385 HydrophobicContact CG-CZ 3.63Å
356N80.7Confident83.6Confident72 Ų7261.1 Ų61.139%0.38533%0.333SS..  trans-135.8134.1176.5-145.419.6000109.7R354 E358 K359 L360R354-N356 PolarHBondContact O-N 3.05Å; N356-E358 PolarHBondContact ND2-OE2 3.45Å; N356-E358 PolarHBondContact O-N 2.64Å; N356-E358 PolarHBondContact OD1-OE2 3.4Å; N356-K359 HydrophobicContact CB-CD 4.45Å; N356-K359 HydrophobicContact CB-CG 4.3Å; N356-K359 PolarHBondContact O-N 2.87Å; N356-K359 VanDerWaalsContact O-N 3.08Å; N356-L360 PolarHBondContact O-N 3.41Å
357P83.6Confident83.6Confident32 Ų3263.1 Ų63.121%0.20834%0.336CS..Hα-helixtrans-51.8-37.7178.2-27.735.9000113.2K359 L360 A361 D384 F385P357-K359 PolarHBondContact O-N 3.25Å; P357-L360 PolarHBondContact O-N 3.27Å; P357-A361 WeakPolarHBondContact O-CB 3.37Å; P357-A361 PolarHBondContact O-N 2.98Å; P357-D384 HydrophobicContact CG-CB 3.84Å; P357-F385 HydrophobicContact CB-CD1 4.34Å; P357-F385 HydrophobicContact CB-CE1 4.45Å; P357-F385 HydrophobicContact CG-CD1 4.02Å; P357-F385 HydrophobicContact CG-CE1 3.79Å
358E84Confident83.6Confident116 Ų11661.1 Ų61.154%0.54232%0.323SS..Hα-helixtrans-67.8-34.9-178.3-56.780.917600112.2N356 N362N356-E358 PolarHBondContact ND2-OE2 3.45Å; N356-E358 PolarHBondContact O-N 2.64Å; N356-E358 PolarHBondContact OD1-OE2 3.4Å; E358-N362 PolarHBondContact O-ND2 3.48Å; E358-N362 VanDerWaalsContact O-ND2 3.15Å
359K81.6Confident83.7Confident111 Ų11158.8 Ų58.848%0.48331%0.311SS..Hα-helixtrans-68.8-39175.6-72.3-177.5-178.3173.20110.9V352 N356 P357V352-K359 HydrophobicContact CG1-CD 3.89Å; N356-K359 HydrophobicContact CB-CD 4.45Å; N356-K359 HydrophobicContact CB-CG 4.3Å; N356-K359 PolarHBondContact O-N 2.87Å; N356-K359 VanDerWaalsContact O-N 3.08Å; P357-K359 PolarHBondContact O-N 3.25Å
360L81.1Confident83.8Confident6 Ų656.5 Ų56.53%0.03130%0.297CS..Hα-helixtrans-74.8-31.2179.3-66-175.8000112.9L355 N356 P357 N362 L363 L369 F385L355-L360 HydrophobicContact CD1-CD1 3.54Å; L355-L360 HydrophobicContact CD1-CD2 3.97Å; L355-L360 HydrophobicContact CD1-CG 3.79Å; L355-L360 HydrophobicContact CD2-CD1 4.48Å; L355-L360 HydrophobicContact CG-CD1 4.23Å; N356-L360 PolarHBondContact O-N 3.41Å; P357-L360 PolarHBondContact O-N 3.27Å; L360-N362 PolarHBondContact O-N 3.07Å; L360-N362 VanDerWaalsContact O-N 3.11Å; L360-L363 PolarHBondContact O-N 2.93Å; L360-L369 HydrophobicContact CD1-CD1 3.47Å; L360-L369 VanDerWaalsContact CD1-CD1 3.47Å; L360-L369 HydrophobicContact CD2-CD1 3.57Å; L360-L369 HydrophobicContact CG-CD1 4.07Å; L360-F385 HydrophobicContact CD1-CD1 3.76Å; L360-F385 HydrophobicContact CD1-CE1 4.14Å
361A79.1Confident84Confident63 Ų6355.5 Ų55.552%0.52129%0.292SS..Hα-helixtrans-59-22.5175.500000113P357 L363P357-A361 WeakPolarHBondContact O-CB 3.37Å; P357-A361 PolarHBondContact O-N 2.98Å; A361-L363 PolarHBondContact O-N 3.08Å
362N80.1Confident84.3Confident104 Ų10450.2 Ų50.256%0.55627%0.265SS*.THydrogen-bonded Turntrans-75.7-1.7174.6-63.4-46.4000114.2E358 L360 P364E358-N362 PolarHBondContact O-ND2 3.48Å; E358-N362 VanDerWaalsContact O-ND2 3.15Å; L360-N362 PolarHBondContact O-N 3.07Å; L360-N362 VanDerWaalsContact O-N 3.11Å; N362-P364 WeakPolarHBondContact O-CD 3.37Å
363L83.5Confident85Confident47 Ų4749 Ų4925%0.24626%0.258CS..  trans-121.760.9-178.7-60.3173.3000111.7L350 L360 A361 E365 L366L350-L363 HydrophobicContact CD1-CD1 3.46Å; L350-L363 VanDerWaalsContact CD1-CD1 3.46Å; L350-L363 HydrophobicContact CD2-CD1 4.04Å; L350-L363 HydrophobicContact CG-CD1 4.4Å; L360-L363 PolarHBondContact O-N 2.93Å; A361-L363 PolarHBondContact O-N 3.08Å; L363-E365 PolarHBondContact O-N 3.08Å; L363-E365 VanDerWaalsContact O-N 3.14Å; L363-L366 HydrophobicContact CB-CD1 3.87Å; L363-L366 HydrophobicContact CB-CG 4.2Å; L363-L366 HydrophobicContact CD1-CD1 3.87Å; L363-L366 HydrophobicContact CG-CD1 4.44Å; L363-L366 PolarHBondContact O-N 2.75Å
364P80.1Confident85.6Confident96 Ų9647.8 Ų47.862%0.62325%0.245SC*.THydrogen-bonded Turntrans-67.1-13.8-172.929.3-37000114.7N362 L366N362-P364 WeakPolarHBondContact O-CD 3.37Å; P364-L366 VanDerWaalsContact C-N 3.31Å
365E84.2Confident86.1Confident51 Ų5140.3 Ų40.324%0.23822%0.217CC..THydrogen-bonded Turntrans-76.5-22.6178-58.274.5-168.800112.2Y316 L363 Q367 L496 R500Y316-E365 WeakPolarHBondContact CB-O 3.48Å; L363-E365 PolarHBondContact O-N 3.08Å; L363-E365 VanDerWaalsContact O-N 3.14Å; E365-Q367 PolarHBondContact O-N 3.05Å; E365-L496 HydrophobicContact CG-CD1 4.35Å; E365-R500 IonicContact OE1-CZ 3.45Å; E365-R500 IonicContact OE1-NE 3.2Å; E365-R500 PolarHBondContact OE1-NE 3.1Å; E365-R500 IonicContact OE1-NH2 3.74Å; E365-R500 PolarHBondContact OE1-NH2 2.88Å; E365-R500 IonicContact OE2-CZ 2.96Å; E365-R500 IonicContact OE2-NH2 3.68Å; E365-R500 PolarHBondContact OE2-NH2 2.91Å
366L90.8Very high86.3Confident19 Ų1940 Ų4010%0.09922%0.215CC..  trans-77.3124.5180-60.3-179.2000109.6I348 L350 L363 P364 L369 I387I348-L366 HydrophobicContact CG2-CD1 4.29Å; I348-L366 HydrophobicContact CG2-CD2 3.76Å; L350-L366 HydrophobicContact CD1-CD1 3.71Å; L363-L366 HydrophobicContact CB-CD1 3.87Å; L363-L366 HydrophobicContact CB-CG 4.2Å; L363-L366 HydrophobicContact CD1-CD1 3.87Å; L363-L366 HydrophobicContact CG-CD1 4.44Å; L363-L366 PolarHBondContact O-N 2.75Å; P364-L366 VanDerWaalsContact C-N 3.31Å; L366-L369 HydrophobicContact CD1-CD2 3.78Å; L366-I387 HydrophobicContact CB-CD1 4.36Å
367Q93.3Very high86.4Confident93 Ų9338.5 Ų38.544%0.43521%0.209SC..SBendtrans-92.6-19.1-179.9-64.2173.9-2500111.9A314 Y316 E365 P388A314-Q367 HydrophobicContact CB-CB 4.2Å; Y316-Q367 PolarHBondContact O-N 3.34Å; E365-Q367 PolarHBondContact O-N 3.05Å; Q367-P388 WeakPolarHBondContact O-CD 3.47Å
368L95Very high86.4Confident0 Ų037.1 Ų37.10%020%0.2CC..EExtended strand (participates in β ladder)trans-157.2146.7-174.8-177.976.5000109.6A311 A314 I317 G318 P388 I390 M395A311-L368 HydrophobicContact CB-CD1 4.08Å; A311-L368 HydrophobicContact CB-CD2 3.75Å; A314-L368 HydrophobicContact CB-CB 3.61Å; A314-L368 HydrophobicContact CB-CD2 3.89Å; A314-L368 HydrophobicContact CB-CG 4.35Å; I317-L368 WeakPolarHBondContact CA-O 3.15Å; I317-L368 HydrophobicContact CD1-CD2 4.12Å; I317-L368 HydrophobicContact CG1-CB 4.28Å; I317-L368 HydrophobicContact CG1-CD2 4.16Å; I317-L368 HydrophobicContact CG2-CD2 4.32Å; G318-L368 PolarHBondContact N-O 2.94Å; L368-P388 HydrophobicContact CD1-CB 3.69Å; L368-I390 HydrophobicContact CD1-CD1 4.1Å; L368-I390 HydrophobicContact CD1-CG1 3.96Å; L368-I390 HydrophobicContact CD1-CG2 4Å; L368-I390 HydrophobicContact CD2-CD1 3.81Å; L368-I390 HydrophobicContact CD2-CG1 4.27Å; L368-I390 HydrophobicContact CG-CD1 4.29Å; L368-I390 HydrophobicContact CG-CG1 4.23Å; L368-M395 HydrophobicContact CD2-CE 4.48Å; L368-M395 HydrophobicContact CD2-SD 3.65Å
369L94.4Very high86.2Confident0 Ų031.9 Ų31.90%018%0.176CC..EExtended strand (participates in β ladder)trans-119.6133.3170.9-64.4170.4000110.6G318 L350 L360 L366 I387 P388 V389 I390G318-L369 CarbonylContact O-C 3.52Å; G318-L369 VanDerWaalsContact O-CA 3.28Å; G318-L369 WeakPolarHBondContact O-CA 3.14Å; L350-L369 HydrophobicContact CD1-CD2 4.14Å; L360-L369 HydrophobicContact CD1-CD1 3.47Å; L360-L369 VanDerWaalsContact CD1-CD1 3.47Å; L360-L369 HydrophobicContact CD2-CD1 3.57Å; L360-L369 HydrophobicContact CG-CD1 4.07Å; L366-L369 HydrophobicContact CD1-CD2 3.78Å; L369-I387 HydrophobicContact CD1-CB 4.38Å; L369-I387 HydrophobicContact CD1-CG2 4.16Å; L369-I387 HydrophobicContact CG-CG2 3.91Å; L369-P388 PolarHBondContact N-O 2.83Å; L369-V389 HydrophobicContact CB-CG1 4.34Å; L369-V389 HydrophobicContact CB-CG2 4.24Å; L369-V389 HydrophobicContact CD1-CG2 4.26Å; L369-V389 WeakPolarHBondContact O-CA 3.46Å; L369-I390 PolarHBondContact O-N 2.82Å
370I95.8Very high86.1Confident0 Ų028.8 Ų28.80%016%0.164CC..EExtended strand (participates in β ladder)trans-99.4114.8169.8-53.8167.3000107.6I317 G318 I319 L320 L336 L340 I390 P392 M395I317-I370 HydrophobicContact CG2-CD1 3.6Å; I317-I370 HydrophobicContact CG2-CG1 3.76Å; G318-I370 PolarHBondContact O-N 2.8Å; I319-I370 HydrophobicContact CG1-CD1 4.46Å; L320-I370 PolarHBondContact N-O 2.94Å; L336-I370 HydrophobicContact CD1-CG2 3.78Å; L336-I370 HydrophobicContact CD2-CD1 4.3Å; L340-I370 HydrophobicContact CD1-CD1 4.01Å; I370-I390 CarbonylContact C-O 3.56Å; I370-I390 WeakPolarHBondContact CA-O 3.12Å; I370-I390 HydrophobicContact CG1-CG1 4.34Å; I370-P392 HydrophobicContact CG2-CB 4.41Å; I370-P392 HydrophobicContact CG2-CG 4.07Å; I370-M395 HydrophobicContact CD1-CB 3.98Å; I370-M395 HydrophobicContact CD1-CG 3.55Å; I370-M395 HydrophobicContact CD1-SD 3.81Å; I370-M395 HydrophobicContact CG1-CB 4.23Å; I370-M395 HydrophobicContact CG1-CG 4.18Å; I370-M395 HydrophobicContact CG1-SD 4.11Å
371L93.7Very high85.7Confident4 Ų430.9 Ų30.92%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-88.2116-178.1178.766.4000111.7L320 C322 A373 T377 L380 V389 I390 P392L320-L371 HydrophobicContact CD2-CD1 3.88Å; L320-L371 HydrophobicContact CG-CD1 4.15Å; C322-L371 HydrophobicContact CB-CD1 3.9Å; C322-L371 VanDerWaalsContact SG-CD1 3.59Å; L371-A373 HydrophobicContact CD1-CB 4.15Å; L371-A373 HydrophobicContact CD2-CB 4.24Å; L371-A373 HydrophobicContact CG-CB 3.94Å; L371-T377 WeakPolarHBondContact CD2-O 3.47Å; L371-L380 HydrophobicContact CD2-CD1 3.51Å; L371-L380 HydrophobicContact CD2-CG 3.65Å; L371-V389 HydrophobicContact CB-CG1 3.76Å; L371-V389 HydrophobicContact CD2-CG1 4.47Å; L371-I390 PolarHBondContact N-O 2.93Å; L371-P392 WeakPolarHBondContact O-CD 3.42Å
372I93.1Very high85.5Confident0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-97.9106.7167.3-59.7167.8000107.8I319 L320 V321 C322 T323 I332 I333 L336 P392 F424I319-I372 HydrophobicContact CG2-CD1 3.4Å; I319-I372 VanDerWaalsContact CG2-CD1 3.4Å; I319-I372 HydrophobicContact CG2-CG1 4.28Å; L320-I372 PolarHBondContact O-N 2.79Å; V321-I372 HydrophobicContact CG2-CD1 4.29Å; C322-I372 PolarHBondContact N-O 2.83Å; T323-I372 HydrophobicContact CG2-CG2 4.2Å; I332-I372 HydrophobicContact CG2-CD1 3.99Å; I332-I372 HydrophobicContact CG2-CG1 4.29Å; I332-I372 HydrophobicContact CG2-CG2 3.9Å; I333-I372 HydrophobicContact CB-CD1 4.49Å; I333-I372 HydrophobicContact CD1-CD1 4.46Å; I333-I372 HydrophobicContact CG1-CD1 3.45Å; I333-I372 VanDerWaalsContact CG1-CD1 3.45Å; L336-I372 HydrophobicContact CD1-CD1 4.05Å; L336-I372 HydrophobicContact CD1-CG1 4.27Å; I372-P392 HydrophobicContact CG1-CG 4.29Å; I372-F424 HydrophobicContact CG2-CD1 4.1Å; I372-F424 HydrophobicContact CG2-CE1 4.01Å
373A89.2Confident85.2Confident2 Ų229.3 Ų29.32%0.01716%0.161CC..  trans-144.7178-179.800000110.7C322 L371 T377C322-A373 HydrophobicContact CB-CB 4.29Å; L371-A373 HydrophobicContact CD1-CB 4.15Å; L371-A373 HydrophobicContact CD2-CB 4.24Å; L371-A373 HydrophobicContact CG-CB 3.94Å; A373-T377 WeakPolarHBondContact CB-OG1 3.43Å
374C87.1Confident85Confident0 Ų032.1 Ų32.10%018%0.176CC..  trans-66159170.9750000110.9C94 I326 E376 T377 S378C94-C374 HydrophobicContact CB-CB 3.9Å; I326-C374 VanDerWaalsContact CD1-CA 3.42Å; I326-C374 HydrophobicContact CD1-CB 3.39Å; C374-E376 PolarHBondContact O-N 3.36Å; C374-T377 PolarHBondContact O-N 3.39Å; C374-T377 PolarHBondContact SG-OG1 2.91Å; C374-S378 WeakPolarHBondContact O-CB 3.43Å; C374-S378 PolarHBondContact O-N 3.15Å; C374-S378 PolarHBondContact O-OG 2.75Å
375P82.5Confident85.1Confident3 Ų329.2 Ų29.22%0.01915%0.154CC..THydrogen-bonded Turntrans-57.5-22.3179.9-26.636.4000114S96 R267 S378 V422 D423S96-P375 VanDerWaalsContact OG-CD 3.29Å; S96-P375 WeakPolarHBondContact OG-CD 3.42Å; R267-P375 WeakPolarHBondContact CD-O 3.34Å; P375-S378 PolarHBondContact O-OG 2.8Å; P375-V422 HydrophobicContact CB-CG1 4.24Å; P375-V422 WeakPolarHBondContact O-CG1 3.44Å; P375-D423 HydrophobicContact CB-CB 4.35Å; P375-D423 HydrophobicContact CG-CB 3.64Å; P375-D423 VanDerWaalsContact CG-CG 3.48Å; P375-D423 WeakPolarHBondContact CG-OD2 3.28Å
376E79.7Confident85.1Confident20 Ų2034.9 Ų34.99%0.09318%0.18CC..THydrogen-bonded Turntrans-77.4-26178.2-74.9-66.8137.600114.3C94 R227 R267 C374C94-E376 HydrophobicContact CB-CB 4.12Å; C94-E376 HydrophobicContact CB-CG 3.81Å; R227-E376 HydrophobicContact CG-CG 3.88Å; R227-E376 WeakPolarHBondContact CG-OE1 3.21Å; R227-E376 IonicContact CZ-OE2 3.83Å; R227-E376 IonicContact NE-OE1 3.54Å; R227-E376 PolarHBondContact NE-OE1 2.89Å; R227-E376 VanDerWaalsContact NE-OE1 3.1Å; R227-E376 IonicContact NE-OE2 2.74Å; R227-E376 PolarHBondContact NE-OE2 3.45Å; R227-E376 IonicContact NH2-OE2 3.74Å; R227-E376 PolarHBondContact NH2-OE2 3.03Å; R267-E376 IonicContact CZ-OE2 3.29Å; R267-E376 IonicContact NE-OE1 3.06Å; R267-E376 IonicContact NE-OE2 3.65Å; R267-E376 PolarHBondContact NH1-O 2.8Å; R267-E376 IonicContact NH2-OE1 2.7Å; R267-E376 IonicContact NH2-OE2 2.86Å; R267-E376 PolarHBondContact NH2-OE2 2.89Å; C374-E376 PolarHBondContact O-N 3.36Å
377T81.8Confident85Confident41 Ų4135 Ų3525%0.25218%0.18SC..THydrogen-bonded Turntrans-119.4-1.7-174.856.40000113.6A70 L371 A373 C374 L379A70-T377 HydrophobicContact CB-CG2 3.76Å; L371-T377 WeakPolarHBondContact CD2-O 3.47Å; A373-T377 WeakPolarHBondContact CB-OG1 3.43Å; C374-T377 PolarHBondContact O-N 3.39Å; C374-T377 PolarHBondContact SG-OG1 2.91Å; T377-L379 VanDerWaalsContact C-N 3.34Å; T377-L379 PolarHBondContact O-N 2.85Å
378S84.1Confident85Confident4 Ų432 Ų323%0.02817%0.169CC..SBendtrans-69.9-27.6179.957.10000113.3C374 P375 L380 V422C374-S378 WeakPolarHBondContact O-CB 3.43Å; C374-S378 PolarHBondContact O-N 3.15Å; C374-S378 PolarHBondContact O-OG 2.75Å; P375-S378 PolarHBondContact O-OG 2.8Å; S378-L380 PolarHBondContact O-N 3.04Å; S378-V422 WeakPolarHBondContact OG-CG1 3.47Å; S378-V422 PolarHBondContact OG-O 3.26Å
379L80.5Confident84.8Confident5 Ų532.5 Ų32.53%0.02617%0.172CC..  trans-90.595.7173.1-62-175.8000111.3R267 L270 T377 T391 L420 V422R267-L379 HydrophobicContact CG-CD1 3.7Å; R267-L379 HydrophobicContact CG-CG 4.43Å; L270-L379 HydrophobicContact CD1-CD1 3.59Å; T377-L379 VanDerWaalsContact C-N 3.34Å; T377-L379 PolarHBondContact O-N 2.85Å; L379-T391 HydrophobicContact CD2-CG2 3.77Å; L379-L420 HydrophobicContact CD1-CD2 4.06Å; L379-L420 HydrophobicContact CD2-CD2 3.4Å; L379-L420 HydrophobicContact CG-CD2 4.36Å; L379-V422 HydrophobicContact CD1-CG1 4.42Å; L379-V422 HydrophobicContact CD1-CG2 3.99Å; L379-V422 HydrophobicContact CG-CG1 4.11Å; L379-V422 HydrophobicContact CG-CG2 4.31Å
380L78.7Confident84.9Confident47 Ų4732.5 Ų32.525%0.24617%0.172CC..  trans-92.4121.1171.7-66.8178.8000111.8R304 L355 L371 S378 F385 V389R304-L380 VanDerWaalsContact NH2-C 3.31Å; R304-L380 PolarHBondContact NH2-O 3.15Å; L355-L380 HydrophobicContact CD2-CD1 3.27Å; L371-L380 HydrophobicContact CD2-CD1 3.51Å; L371-L380 HydrophobicContact CD2-CG 3.65Å; S378-L380 PolarHBondContact O-N 3.04Å; L380-F385 HydrophobicContact CD1-CE2 4.12Å; L380-V389 HydrophobicContact CD1-CG1 4.05Å
381D73.7Confident84.8Confident49 Ų4932.5 Ų32.526%0.26217%0.172SC..  trans-123.355.1175.6-165.720.4000111.8L263 R303L263-D381 HydrophobicContact CD1-CB 4.47Å; L263-D381 HydrophobicContact CD2-CB 4.13Å; R303-D381 WeakPolarHBondContact CD-OD1 3.09Å; R303-D381 IonicContact CZ-OD1 2.72Å; R303-D381 IonicContact NE-OD1 3.59Å; R303-D381 PolarHBondContact NE-OD1 3.23Å
382S74.5Confident84.9Confident31 Ų3132.7 Ų32.722%0.21717%0.173CC..  trans-106.7144.7171.4760000111.4R303 F385R303-S382 PolarHBondContact NH2-O 2.81Å; S382-F385 WeakPolarHBondContact OG-CD2 3.42Å; S382-F385 WeakPolarHBondContact OG-CE2 2.95Å
383N72.7Confident85Confident103 Ų10333 Ų3355%0.55118%0.175SC*.SBendtrans-80.8-7.2173.6-73.9-26.8000112.9R303 F385R303-N383 PolarHBondContact NH1-OD1 3.02Å; R303-N383 PolarHBondContact NH2-OD1 2.94Å; N383-F385 VanDerWaalsContact C-N 3.28Å; N383-F385 PolarHBondContact O-N 3.39Å
384D79.8Confident85.3Confident106 Ų10632.9 Ų32.957%0.56717%0.174SC*.  trans-76.5-18.8-172.9-50.6-34.2000112.3P357 H386P357-D384 HydrophobicContact CG-CB 3.84Å; D384-H386 PolarHBondContact O-N 2.89Å
385F82.6Confident85.8Confident35 Ų3532.9 Ų32.915%0.15417%0.174CC..  trans-84113.3176.6-59.4-60.2000111L355 P357 L360 L380 S382 N383 I387 V389L355-F385 HydrophobicContact CB-CZ 4.43Å; L355-F385 HydrophobicContact CD1-CE1 4.47Å; L355-F385 HydrophobicContact CD2-CD1 4.37Å; L355-F385 HydrophobicContact CD2-CE1 3.62Å; L355-F385 HydrophobicContact CD2-CE2 3.83Å; L355-F385 HydrophobicContact CD2-CZ 3.32Å; L355-F385 HydrophobicContact CG-CE1 3.59Å; L355-F385 HydrophobicContact CG-CZ 3.63Å; P357-F385 HydrophobicContact CB-CD1 4.34Å; P357-F385 HydrophobicContact CB-CE1 4.45Å; P357-F385 HydrophobicContact CG-CD1 4.02Å; P357-F385 HydrophobicContact CG-CE1 3.79Å; L360-F385 HydrophobicContact CD1-CD1 3.76Å; L360-F385 HydrophobicContact CD1-CE1 4.14Å; L380-F385 HydrophobicContact CD1-CE2 4.12Å; S382-F385 WeakPolarHBondContact OG-CD2 3.42Å; S382-F385 WeakPolarHBondContact OG-CE2 2.95Å; N383-F385 VanDerWaalsContact C-N 3.28Å; N383-F385 PolarHBondContact O-N 3.39Å; F385-I387 VanDerWaalsContact C-N 3.26Å; F385-I387 PolarHBondContact O-N 3.32Å; F385-V389 HydrophobicContact CB-CG2 4.38Å; F385-V389 HydrophobicContact CG-CG2 4.44Å
386H83.3Confident86.4Confident171 Ų17132.7 Ų32.779%0.79217%0.173SC*.SBendtrans-70.9-21.1174.6-62.8-56.5000113.6D384D384-H386 PolarHBondContact O-N 2.89Å
387I89.4Confident87.2Confident21 Ų2131.8 Ų31.811%0.10817%0.168CC..SBendtrans-100.5127.3176-57.1173.1000108L366 L369 F385 V389L366-I387 HydrophobicContact CB-CD1 4.36Å; L369-I387 HydrophobicContact CD1-CB 4.38Å; L369-I387 HydrophobicContact CD1-CG2 4.16Å; L369-I387 HydrophobicContact CG-CG2 3.91Å; F385-I387 VanDerWaalsContact C-N 3.26Å; F385-I387 PolarHBondContact O-N 3.32Å; I387-V389 WeakPolarHBondContact O-CG2 3.42Å; I387-V389 PolarHBondContact O-N 3.42Å
388P92.4Very high87.8Confident30 Ų3029.8 Ų29.820%0.19516%0.156CC..  trans-51.2130.5173.7-30.737.6000112.7L307 K310 Q367 L368 L369L307-P388 HydrophobicContact CD2-CB 3.89Å; K310-P388 HydrophobicContact CB-CG 4.43Å; Q367-P388 WeakPolarHBondContact O-CD 3.47Å; L368-P388 HydrophobicContact CD1-CB 3.69Å; L369-P388 PolarHBondContact N-O 2.83Å
389V92.7Very high88.2Confident10 Ų1029.6 Ų29.66%0.06116%0.155CC..EExtended strand (participates in β ladder)trans-119.1122.4176-169.10000110.2R304 L369 L371 L380 F385 I387R304-V389 PolarHBondContact NH1-O 3.04Å; L369-V389 HydrophobicContact CB-CG1 4.34Å; L369-V389 HydrophobicContact CB-CG2 4.24Å; L369-V389 HydrophobicContact CD1-CG2 4.26Å; L369-V389 WeakPolarHBondContact O-CA 3.46Å; L371-V389 HydrophobicContact CB-CG1 3.76Å; L371-V389 HydrophobicContact CD2-CG1 4.47Å; L380-V389 HydrophobicContact CD1-CG1 4.05Å; F385-V389 HydrophobicContact CB-CG2 4.38Å; F385-V389 HydrophobicContact CG-CG2 4.44Å; I387-V389 WeakPolarHBondContact O-CG2 3.42Å; I387-V389 PolarHBondContact O-N 3.42Å
390I95Very high88.8Confident1 Ų130.4 Ų30.41%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-126.8167-178.565.1164000111.7L307 A311 L368 L369 I370 L371 E394 M395L307-I390 HydrophobicContact CB-CG2 3.81Å; A311-I390 HydrophobicContact CB-CD1 3.72Å; L368-I390 HydrophobicContact CD1-CD1 4.1Å; L368-I390 HydrophobicContact CD1-CG1 3.96Å; L368-I390 HydrophobicContact CD1-CG2 4Å; L368-I390 HydrophobicContact CD2-CD1 3.81Å; L368-I390 HydrophobicContact CD2-CG1 4.27Å; L368-I390 HydrophobicContact CG-CD1 4.29Å; L368-I390 HydrophobicContact CG-CG1 4.23Å; L369-I390 PolarHBondContact O-N 2.82Å; I370-I390 CarbonylContact C-O 3.56Å; I370-I390 WeakPolarHBondContact CA-O 3.12Å; I370-I390 HydrophobicContact CG1-CG1 4.34Å; L371-I390 PolarHBondContact N-O 2.93Å; I390-E394 VanDerWaalsContact CA-OE2 3.27Å; I390-E394 WeakPolarHBondContact CA-OE2 3.36Å; I390-E394 HydrophobicContact CB-CB 3.97Å; I390-E394 WeakPolarHBondContact CB-OE2 3.35Å; I390-E394 HydrophobicContact CD1-CB 4.25Å; I390-M395 HydrophobicContact CD1-CB 3.84Å; I390-M395 HydrophobicContact CD1-CG 4.47Å; I390-M395 HydrophobicContact CD1-SD 3.82Å
391T94.6Very high89.3Confident0 Ų029.4 Ų29.40%016%0.155CC..  trans-86164.2174.664.80000112L379 F393 E394 M395L379-T391 HydrophobicContact CD2-CG2 3.77Å; T391-F393 VanDerWaalsContact C-N 3.3Å; T391-F393 PolarHBondContact O-N 2.91Å; T391-E394 PolarHBondContact N-OE2 3.47Å; T391-E394 PolarHBondContact O-N 2.95Å; T391-E394 WeakPolarHBondContact OG1-CB 3.35Å; T391-E394 WeakPolarHBondContact OG1-CG 3.36Å; T391-E394 PolarHBondContact OG1-N 2.95Å; T391-E394 PolarHBondContact OG1-OE2 2.87Å; T391-M395 PolarHBondContact O-N 3.12Å; T391-M395 VanDerWaalsContact O-N 3.09Å
392P96.4Very high90.1Very high8 Ų827.2 Ų27.25%0.05214%0.143CC..Hα-helixtrans-58.4-39.5174.2-27.637.8000113.3I332 L336 I370 L371 I372 M395 E396 F424 L427I332-P392 HydrophobicContact CD1-CB 4.16Å; I332-P392 HydrophobicContact CG1-CB 4.16Å; I332-P392 HydrophobicContact CG1-CG 4.28Å; L336-P392 HydrophobicContact CD1-CB 4.18Å; L336-P392 HydrophobicContact CD1-CG 4.28Å; L336-P392 HydrophobicContact CD2-CB 4.27Å; I370-P392 HydrophobicContact CG2-CB 4.41Å; I370-P392 HydrophobicContact CG2-CG 4.07Å; L371-P392 WeakPolarHBondContact O-CD 3.42Å; I372-P392 HydrophobicContact CG1-CG 4.29Å; P392-M395 WeakPolarHBondContact O-CB 3.06Å; P392-M395 PolarHBondContact O-N 2.89Å; P392-E396 PolarHBondContact O-N 3.43Å; P392-F424 HydrophobicContact CG-CB 4.28Å; P392-L427 HydrophobicContact CB-CD1 3.75Å
393F94.9Very high90.6Very high5 Ų526.6 Ų26.62%0.02214%0.136CC..Hα-helixtrans-64.5-44.1177.3172.1-104.6000111.5T391 M395 E396 C397 W415 L420 W421 L427T391-F393 VanDerWaalsContact C-N 3.3Å; T391-F393 PolarHBondContact O-N 2.91Å; F393-M395 PolarHBondContact O-N 3.28Å; F393-E396 PolarHBondContact O-N 3.45Å; F393-E396 VanDerWaalsContact O-N 3.14Å; F393-C397 VanDerWaalsContact CE2-SG 3.5Å; F393-C397 WeakPolarHBondContact CZ-SG 3.45Å; F393-C397 PolarHBondContact O-N 2.9Å; F393-C397 PolarHBondContact O-SG 3.06Å; F393-C397 VanDerWaalsContact O-SG 3.37Å; F393-W415 HydrophobicContact CE1-CE3 4.4Å; F393-W415 HydrophobicContact CE1-CZ3 4.35Å; F393-L420 HydrophobicContact CD1-CD1 3.53Å; F393-L420 HydrophobicContact CD1-CG 4.47Å; F393-L420 HydrophobicContact CE1-CD1 3.98Å; F393-W421 HydrophobicContact CB-CB 4.16Å; F393-W421 WeakPolarHBondContact CB-O 3.38Å; F393-W421 HydrophobicContact CD2-CB 4.13Å; F393-W421 AromaticContact CD2-CD1 3.6Å; F393-W421 HydrophobicContact CD2-CG 4.27Å; F393-W421 AromaticContact CE2-CD1 3.43Å; F393-W421 VanDerWaalsContact CE2-CD1 3.43Å; F393-W421 HydrophobicContact CE2-CG 4.45Å; F393-W421 HydrophobicContact CG-CB 4Å; F393-W421 AromaticContact CZ-CD1 3.82Å; F393-L427 HydrophobicContact CB-CD1 3.95Å; F393-L427 HydrophobicContact CB-CD2 4.12Å; F393-L427 HydrophobicContact CD2-CD2 3.85Å; F393-L427 HydrophobicContact CG-CD2 4.44Å
394E95.7Very high91Very high0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-58.3-38.3175.5-75.2173.714900111.6R304 I308 I390 T391 C397 A398 W415 L420R304-E394 VanDerWaalsContact CD-OE1 3.25Å; R304-E394 WeakPolarHBondContact CD-OE1 3.38Å; R304-E394 IonicContact NE-OE1 3.7Å; R304-E394 IonicContact NH1-OE1 3.81Å; R304-E394 IonicContact NH1-OE2 2.71Å; I308-E394 HydrophobicContact CD1-CB 3.42Å; I308-E394 VanDerWaalsContact CD1-CB 3.42Å; I308-E394 HydrophobicContact CD1-CG 3.75Å; I308-E394 WeakPolarHBondContact CD1-O 3.29Å; I390-E394 VanDerWaalsContact CA-OE2 3.27Å; I390-E394 WeakPolarHBondContact CA-OE2 3.36Å; I390-E394 HydrophobicContact CB-CB 3.97Å; I390-E394 WeakPolarHBondContact CB-OE2 3.35Å; I390-E394 HydrophobicContact CD1-CB 4.25Å; T391-E394 PolarHBondContact N-OE2 3.47Å; T391-E394 PolarHBondContact O-N 2.95Å; T391-E394 WeakPolarHBondContact OG1-CB 3.35Å; T391-E394 WeakPolarHBondContact OG1-CG 3.36Å; T391-E394 PolarHBondContact OG1-N 2.95Å; T391-E394 PolarHBondContact OG1-OE2 2.87Å; E394-C397 PolarHBondContact O-N 2.91Å; E394-A398 WeakPolarHBondContact O-CB 3.49Å; E394-A398 PolarHBondContact O-N 3.49Å; E394-W415 HydrophobicContact CG-CH2 4.43Å; E394-W415 HydrophobicContact CG-CZ3 3.92Å; E394-L420 HydrophobicContact CG-CD1 3.72Å
395M96.9Very high90.4Very high0 Ų024.2 Ų24.20%012%0.123CC..Hα-helixtrans-66-43.7174.7-169.173.5-141.600112.2I317 L340 L368 I370 I390 T391 P392 F393 C397 A398 I399I317-M395 HydrophobicContact CD1-CE 3.66Å; I317-M395 HydrophobicContact CD1-SD 4.11Å; L340-M395 HydrophobicContact CD2-CE 3.88Å; L340-M395 HydrophobicContact CD2-SD 4.46Å; L368-M395 HydrophobicContact CD2-CE 4.48Å; L368-M395 HydrophobicContact CD2-SD 3.65Å; I370-M395 HydrophobicContact CD1-CB 3.98Å; I370-M395 HydrophobicContact CD1-CG 3.55Å; I370-M395 HydrophobicContact CD1-SD 3.81Å; I370-M395 HydrophobicContact CG1-CB 4.23Å; I370-M395 HydrophobicContact CG1-CG 4.18Å; I370-M395 HydrophobicContact CG1-SD 4.11Å; I390-M395 HydrophobicContact CD1-CB 3.84Å; I390-M395 HydrophobicContact CD1-CG 4.47Å; I390-M395 HydrophobicContact CD1-SD 3.82Å; T391-M395 PolarHBondContact O-N 3.12Å; T391-M395 VanDerWaalsContact O-N 3.09Å; P392-M395 WeakPolarHBondContact O-CB 3.06Å; P392-M395 PolarHBondContact O-N 2.89Å; F393-M395 PolarHBondContact O-N 3.28Å; M395-C397 VanDerWaalsContact C-N 3.3Å; M395-C397 PolarHBondContact O-N 3.25Å; M395-A398 PolarHBondContact O-N 2.84Å; M395-I399 HydrophobicContact CE-CD1 3.71Å; M395-I399 HydrophobicContact CE-CG1 3.6Å; M395-I399 HydrophobicContact CG-CD1 4.22Å; M395-I399 WeakPolarHBondContact O-CG1 3.29Å; M395-I399 PolarHBondContact O-N 2.83Å
396E96.2Very high89.5Confident0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-58.8-43.5175.4-73.3-169.7-161.900111.2R335 L339 P392 F393 I399 R400 R413 V440R335-E396 IonicContact CZ-OE1 2.7Å; R335-E396 VanDerWaalsContact CZ-OE1 3.29Å; R335-E396 IonicContact CZ-OE2 3.09Å; R335-E396 IonicContact NE-OE1 2.68Å; R335-E396 PolarHBondContact NE-OE1 2.73Å; R335-E396 VanDerWaalsContact NH2-CD 3.27Å; R335-E396 IonicContact NH2-OE1 2.79Å; R335-E396 PolarHBondContact NH2-OE1 3.14Å; R335-E396 IonicContact NH2-OE2 3.21Å; R335-E396 PolarHBondContact NH2-OE2 3.07Å; L339-E396 HydrophobicContact CD2-CG 3.75Å; P392-E396 PolarHBondContact O-N 3.43Å; F393-E396 PolarHBondContact O-N 3.45Å; F393-E396 VanDerWaalsContact O-N 3.14Å; E396-I399 PolarHBondContact O-N 2.86Å; E396-R400 VanDerWaalsContact O-CB 3.27Å; E396-R400 WeakPolarHBondContact O-CB 3.44Å; E396-R400 PolarHBondContact O-N 2.85Å; E396-R413 IonicContact OE2-CZ 2.96Å; E396-R413 VanDerWaalsContact OE2-CZ 3.3Å; E396-R413 IonicContact OE2-NE 2.73Å; E396-R413 PolarHBondContact OE2-NE 3.06Å; E396-R413 IonicContact OE2-NH2 3.01Å; E396-R413 PolarHBondContact OE2-NH2 3.31Å; E396-V440 HydrophobicContact CB-CG1 3.89Å; E396-V440 HydrophobicContact CG-CG1 4.11Å
397C94.8Very high88.2Confident0 Ų033.7 Ų33.70%016%0.16CC..Hα-helixtrans-64.4-41.2176.2-67.80000112.9F393 E394 M395 R400 S401 R413 W415F393-C397 VanDerWaalsContact CE2-SG 3.5Å; F393-C397 WeakPolarHBondContact CZ-SG 3.45Å; F393-C397 PolarHBondContact O-N 2.9Å; F393-C397 PolarHBondContact O-SG 3.06Å; F393-C397 VanDerWaalsContact O-SG 3.37Å; E394-C397 PolarHBondContact O-N 2.91Å; M395-C397 VanDerWaalsContact C-N 3.3Å; M395-C397 PolarHBondContact O-N 3.25Å; C397-R400 PolarHBondContact O-N 3.12Å; C397-S401 WeakPolarHBondContact O-CB 3.45Å; C397-S401 PolarHBondContact O-N 2.92Å; C397-S401 PolarHBondContact O-OG 3.11Å; C397-R413 WeakPolarHBondContact CA-O 3.43Å; C397-R413 PolarHBondContact SG-O 2.94Å; C397-W415 HydrophobicContact CB-CB 4.13Å
398A94.6Very high86.7Confident0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-62.7-47177.400000111.2I308 A311 K312 E394 M395 C402I308-A398 HydrophobicContact CG2-CB 4.36Å; A311-A398 HydrophobicContact CB-CB 3.7Å; K312-A398 HydrophobicContact CG-CB 4.21Å; E394-A398 WeakPolarHBondContact O-CB 3.49Å; E394-A398 PolarHBondContact O-N 3.49Å; M395-A398 PolarHBondContact O-N 2.84Å; A398-C402 PolarHBondContact O-N 2.99Å; A398-C402 PolarHBondContact O-SG 3.2Å; A398-C402 VanDerWaalsContact O-SG 3.36Å
399I93.7Very high85.5Confident0 Ų040.6 Ų40.60%020%0.202CC..Hα-helixtrans-62.5-50.7175.9-70.3175.7000110.1L339 L340 A343 M395 E396 S401 C402 Y403 I441L339-I399 HydrophobicContact CD2-CD1 3.59Å; L339-I399 HydrophobicContact CG-CD1 3.62Å; L340-I399 HydrophobicContact CD2-CD1 4.18Å; A343-I399 HydrophobicContact CB-CD1 4.04Å; A343-I399 HydrophobicContact CB-CG1 4.41Å; A343-I399 HydrophobicContact CB-CG2 4.35Å; M395-I399 HydrophobicContact CE-CD1 3.71Å; M395-I399 HydrophobicContact CE-CG1 3.6Å; M395-I399 HydrophobicContact CG-CD1 4.22Å; M395-I399 WeakPolarHBondContact O-CG1 3.29Å; M395-I399 PolarHBondContact O-N 2.83Å; E396-I399 PolarHBondContact O-N 2.86Å; I399-S401 VanDerWaalsContact C-N 3.26Å; I399-S401 PolarHBondContact O-N 2.88Å; I399-C402 VanDerWaalsContact O-CB 3.25Å; I399-C402 WeakPolarHBondContact O-CB 3.36Å; I399-C402 PolarHBondContact O-N 3.07Å; I399-Y403 HydrophobicContact CG2-CD2 4.24Å; I399-Y403 HydrophobicContact CG2-CE2 3.97Å; I399-Y403 WeakPolarHBondContact O-CD2 3.47Å; I399-I441 HydrophobicContact CG2-CB 4.2Å; I399-I441 HydrophobicContact CG2-CD1 4.17Å; I399-I441 HydrophobicContact CG2-CG1 4.49Å
400R92.2Very high84.4Confident22 Ų2246.5 Ų46.58%0.08323%0.232CC..Hα-helixtrans-54.4-44.7-178.9177.463.2-174.5114.8-0.7112.3E396 C397 C402 Y403 M404 D411 R413 V440E396-R400 VanDerWaalsContact O-CB 3.27Å; E396-R400 WeakPolarHBondContact O-CB 3.44Å; E396-R400 PolarHBondContact O-N 2.85Å; C397-R400 PolarHBondContact O-N 3.12Å; R400-C402 PolarHBondContact O-N 3.17Å; R400-Y403 PolarHBondContact O-N 3.39Å; R400-M404 HydrophobicContact CG-CG 4.44Å; R400-M404 HydrophobicContact CG-SD 4.38Å; R400-M404 VanDerWaalsContact CZ-CG 3.42Å; R400-M404 VanDerWaalsContact NH1-CG 3.26Å; R400-M404 PolarHBondContact O-N 2.93Å; R400-D411 IonicContact CZ-OD2 2.64Å; R400-D411 IonicContact NE-OD2 2.75Å; R400-D411 PolarHBondContact NE-OD2 3.49Å; R400-D411 IonicContact NH2-OD2 3.72Å; R400-D411 PolarHBondContact NH2-OD2 3.37Å; R400-R413 HydrophobicContact CB-CB 4.05Å; R400-R413 HydrophobicContact CG-CB 3.8Å; R400-V440 WeakPolarHBondContact CA-O 3.33Å; R400-V440 VanDerWaalsContact CD-O 3.25Å; R400-V440 WeakPolarHBondContact CD-O 3.44Å
401S90.5Very high83.7Confident26 Ų2648.7 Ų48.718%0.18224%0.244CC..Hα-helixtrans-61.6-28.6178.8-61.20000113.2K312 C397 I399 Y403K312-S401 VanDerWaalsContact CE-CB 3.42Å; C397-S401 WeakPolarHBondContact O-CB 3.45Å; C397-S401 PolarHBondContact O-N 2.92Å; C397-S401 PolarHBondContact O-OG 3.11Å; I399-S401 VanDerWaalsContact C-N 3.26Å; I399-S401 PolarHBondContact O-N 2.88Å; S401-Y403 PolarHBondContact O-N 3.42Å
402C89.3Confident83.1Confident2 Ų255.1 Ų55.11%0.01427%0.274CS..THydrogen-bonded Turntrans-70.3-13.1173.9-69.20000113.2A398 I399 R400 F448 I450 I461A398-C402 PolarHBondContact O-N 2.99Å; A398-C402 PolarHBondContact O-SG 3.2Å; A398-C402 VanDerWaalsContact O-SG 3.36Å; I399-C402 VanDerWaalsContact O-CB 3.25Å; I399-C402 WeakPolarHBondContact O-CB 3.36Å; I399-C402 PolarHBondContact O-N 3.07Å; R400-C402 PolarHBondContact O-N 3.17Å; C402-F448 VanDerWaalsContact O-CE2 3.32Å; C402-F448 WeakPolarHBondContact O-CE2 3.41Å; C402-F448 VanDerWaalsContact O-CZ 3.28Å; C402-F448 WeakPolarHBondContact O-CZ 3.09Å; C402-I450 HydrophobicContact CB-CD1 4.06Å; C402-I450 WeakPolarHBondContact O-CD1 3.36Å; C402-I461 HydrophobicContact CB-CD1 3.65Å; C402-I461 WeakPolarHBondContact O-CD1 3.45Å
403Y86Confident82.9Confident18 Ų1854.9 Ų54.97%0.07127%0.272CS..THydrogen-bonded Turntrans-11910.5-179.4-63.7-88.2000112.8I399 R400 S401 I441 P442 V444 F448 I461I399-Y403 HydrophobicContact CG2-CD2 4.24Å; I399-Y403 HydrophobicContact CG2-CE2 3.97Å; I399-Y403 WeakPolarHBondContact O-CD2 3.47Å; R400-Y403 PolarHBondContact O-N 3.39Å; S401-Y403 PolarHBondContact O-N 3.42Å; Y403-I441 HydrophobicContact CD2-CG1 4.18Å; Y403-I441 HydrophobicContact CE1-CG1 4.41Å; Y403-I441 HydrophobicContact CE2-CD1 3.65Å; Y403-I441 HydrophobicContact CE2-CG1 3.74Å; Y403-I441 WeakPolarHBondContact OH-CD1 3.46Å; Y403-P442 HydrophobicContact CG-CG 4.22Å; Y403-V444 HydrophobicContact CD1-CG2 3.49Å; Y403-V444 VanDerWaalsContact CD1-CG2 3.49Å; Y403-V444 HydrophobicContact CE1-CG2 3.88Å; Y403-F448 HydrophobicContact CD1-CE1 4.35Å; Y403-F448 HydrophobicContact CD1-CZ 4.07Å; Y403-F448 HydrophobicContact CE1-CZ 4.49Å; Y403-I461 HydrophobicContact CD1-CG2 4.34Å; Y403-I461 HydrophobicContact CE1-CG2 3.52Å
404M79.8Confident82.6Confident43 Ų4356 Ų5621%0.21228%0.279CS..  trans-91134.6175.4-75.1-170.283.400111R400 L408 T414R400-M404 HydrophobicContact CG-CG 4.44Å; R400-M404 HydrophobicContact CG-SD 4.38Å; R400-M404 VanDerWaalsContact CZ-CG 3.42Å; R400-M404 VanDerWaalsContact NH1-CG 3.26Å; R400-M404 PolarHBondContact O-N 2.93Å; M404-L408 HydrophobicContact CE-CB 3.86Å; M404-T414 HydrophobicContact SD-CG2 4.38Å; M404-T414 PolarHBondContact SD-OG1 3.28Å; M404-T414 VanDerWaalsContact SD-OG1 3.4Å
405N68.5Low82.3Confident117 Ų11757.9 Ų57.963%0.62629%0.286SS*.  trans-87.7148163.7-65.6-19000109.2Y407 L408N405-Y407 PolarHBondContact O-N 3.13Å; N405-L408 PolarHBondContact O-N 2.81Å
406E62.5Low81.7Confident186 Ų18660.5 Ų60.587%0.86930%0.302SS*.THydrogen-bonded Turntrans-54.1-12.4-174.4-66.8179.6164.400115.6
407Y56.6Low81Confident219 Ų21961.2 Ų61.286%0.85931%0.308SS*.THydrogen-bonded Turntrans-105.33.4-174-62.7-72.4000115.6N405N405-Y407 PolarHBondContact O-N 3.13Å
408L57.8Low79.9Confident97 Ų9768.1 Ų68.151%0.50834%0.341SS..SBendtrans-84.8139.5176.9-80.5152.2000111.3M404 N405M404-L408 HydrophobicContact CE-CB 3.86Å; N405-L408 PolarHBondContact O-N 2.81Å
409S66.7Low79.1Confident98 Ų9872.6 Ų72.669%0.68536%0.36SS*.PPolyproline II helixtrans-55.3142.5170.750.40000110.8D411S409-D411 PolarHBondContact O-N 3.32Å; S409-D411 VanDerWaalsContact O-N 3.08Å
410I69.5Low78.6Confident134 Ų13472.8 Ų72.869%0.68736%0.361SS*.PPolyproline II helixtrans-48.8117.4170.4-64.7163000108.2T416I410-T416 HydrophobicContact CG2-CG2 4Å
411D81.2Confident78.3Confident47 Ų4773.7 Ų73.725%0.25137%0.365SS..  trans-101.6175.1176.370.418.6000111.3R400 S409 R413 T414R400-D411 IonicContact CZ-OD2 2.64Å; R400-D411 IonicContact NE-OD2 2.75Å; R400-D411 PolarHBondContact NE-OD2 3.49Å; R400-D411 IonicContact NH2-OD2 3.72Å; R400-D411 PolarHBondContact NH2-OD2 3.37Å; S409-D411 PolarHBondContact O-N 3.32Å; S409-D411 VanDerWaalsContact O-N 3.08Å; D411-R413 PolarHBondContact O-N 2.89Å; D411-R413 VanDerWaalsContact O-N 3.1Å; D411-R413 VanDerWaalsContact OD1-C 3.26Å; D411-R413 WeakPolarHBondContact OD1-CA 3.3Å; D411-R413 PolarHBondContact OD1-N 2.61Å; D411-T414 PolarHBondContact N-OG1 2.64Å; D411-T414 WeakPolarHBondContact O-CB 3.49Å; D411-T414 PolarHBondContact O-N 3.46Å; D411-T414 PolarHBondContact O-OG1 2.89Å; D411-T414 PolarHBondContact OD1-N 2.94Å; D411-T414 PolarHBondContact OD1-OG1 3.18Å
412E82.3Confident78.1Confident135 Ų13572.9 Ų72.963%0.63136%0.359SS*.THydrogen-bonded Turntrans-67.3-7.4-178.1-64.8-176.1175.500114.5I435E412-I435 HydrophobicContact CB-CD1 3.66Å
413R91.1Very high77.9Confident3 Ų373.5 Ų73.51%0.01136%0.362CS..THydrogen-bonded Turntrans-117.213.3177.6-71.5-63.5-165.2-90.81.5113.3E396 C397 R400 D411 A433 I435 V440E396-R413 IonicContact OE2-CZ 2.96Å; E396-R413 VanDerWaalsContact OE2-CZ 3.3Å; E396-R413 IonicContact OE2-NE 2.73Å; E396-R413 PolarHBondContact OE2-NE 3.06Å; E396-R413 IonicContact OE2-NH2 3.01Å; E396-R413 PolarHBondContact OE2-NH2 3.31Å; C397-R413 WeakPolarHBondContact CA-O 3.43Å; C397-R413 PolarHBondContact SG-O 2.94Å; R400-R413 HydrophobicContact CB-CB 4.05Å; R400-R413 HydrophobicContact CG-CB 3.8Å; D411-R413 PolarHBondContact O-N 2.89Å; D411-R413 VanDerWaalsContact O-N 3.1Å; D411-R413 VanDerWaalsContact OD1-C 3.26Å; D411-R413 WeakPolarHBondContact OD1-CA 3.3Å; D411-R413 PolarHBondContact OD1-N 2.61Å; R413-A433 PolarHBondContact NH1-O 3.49Å; R413-A433 PolarHBondContact NH2-O 2.96Å; R413-I435 HydrophobicContact CG-CD1 3.6Å; R413-I435 VanDerWaalsContact NH1-CD1 3.34Å; R413-V440 HydrophobicContact CG-CG2 4.4Å
414T88.7Confident78.2Confident29 Ų2972.8 Ų72.818%0.17836%0.359CS..SBendtrans-85.2131.1171.3-55.10000108.8M404 D411 T416M404-T414 HydrophobicContact SD-CG2 4.38Å; M404-T414 PolarHBondContact SD-OG1 3.28Å; M404-T414 VanDerWaalsContact SD-OG1 3.4Å; D411-T414 PolarHBondContact N-OG1 2.64Å; D411-T414 WeakPolarHBondContact O-CB 3.49Å; D411-T414 PolarHBondContact O-N 3.46Å; D411-T414 PolarHBondContact O-OG1 2.89Å; D411-T414 PolarHBondContact OD1-N 2.94Å; D411-T414 PolarHBondContact OD1-OG1 3.18Å; T414-T416 PolarHBondContact O-N 2.6Å
415W90Very high78.6Confident39 Ų3972.3 Ų72.315%0.14836%0.356CS..  trans-70.1113.1175.6176.7-103.1000110.8R304 S305 I308 F393 E394 C397 A417 L420R304-W415 HydrophobicContact CB-CH2 3.87Å; R304-W415 HydrophobicContact CB-CZ2 3.68Å; S305-W415 PolarHBondContact OG-NE1 2.57Å; I308-W415 HydrophobicContact CD1-CD2 4.22Å; I308-W415 HydrophobicContact CD1-CE3 4.05Å; I308-W415 HydrophobicContact CD1-CZ3 4.43Å; I308-W415 HydrophobicContact CG1-CD2 3.71Å; I308-W415 HydrophobicContact CG1-CE3 4Å; I308-W415 HydrophobicContact CG1-CG 4.01Å; I308-W415 HydrophobicContact CG1-CZ2 4.34Å; I308-W415 HydrophobicContact CG1-CZ3 4.41Å; I308-W415 HydrophobicContact CG2-CB 4.34Å; I308-W415 HydrophobicContact CG2-CG 4.29Å; F393-W415 HydrophobicContact CE1-CE3 4.4Å; F393-W415 HydrophobicContact CE1-CZ3 4.35Å; E394-W415 HydrophobicContact CG-CH2 4.43Å; E394-W415 HydrophobicContact CG-CZ3 3.92Å; C397-W415 HydrophobicContact CB-CB 4.13Å; W415-A417 HydrophobicContact CZ2-CB 3.87Å; W415-L420 HydrophobicContact CH2-CD1 4.07Å; W415-L420 HydrophobicContact CZ3-CD1 3.62Å
416T84.3Confident79.6Confident55 Ų5568 Ų6834%0.33733%0.333SS..  trans-108.7-7.2175.762.40000113.6I410 T414 E418I410-T416 HydrophobicContact CG2-CG2 4Å; T414-T416 PolarHBondContact O-N 2.6Å; T416-E418 PolarHBondContact O-N 2.87Å; T416-E418 PolarHBondContact OG1-N 2.73Å
417A80.2Confident81Confident15 Ų1559.2 Ų59.212%0.12429%0.292CS..SBendtrans60.4-7.6-16900000115.9L301 W415L301-A417 HydrophobicContact CB-CB 4.39Å; L301-A417 HydrophobicContact CD2-CB 4.37Å; L301-A417 VanDerWaalsContact CD2-O 3.28Å; L301-A417 WeakPolarHBondContact CD2-O 3.48Å; W415-A417 HydrophobicContact CZ2-CB 3.87Å
418E72.9Confident82.8Confident146 Ų14649.4 Ų49.468%0.68225%0.254SS*.SBendtrans-86.5-21.6178.1-64.4178.6168.500112.7T416T416-E418 PolarHBondContact O-N 2.87Å; T416-E418 PolarHBondContact OG1-N 2.73Å
419K77.3Confident84.5Confident94 Ų9449.4 Ų49.441%0.40926%0.26SS..  trans-134.2127.3-176.7-170.7176.6-175.5-179.70110.3W421K419-W421 VanDerWaalsContact CE-CE2 3.49Å
420L83Confident85.3Confident4 Ų448.8 Ų48.82%0.02127%0.27CS..  trans-137.2120.5178.1-176.872.6000110.4L270 L379 F393 E394 W415 V422L270-L420 HydrophobicContact CB-CB 4.17Å; L270-L420 HydrophobicContact CD1-CB 4.4Å; L270-L420 HydrophobicContact CD1-CD2 3.75Å; L270-L420 HydrophobicContact CD2-CB 3.95Å; L270-L420 HydrophobicContact CG-CB 4.4Å; L379-L420 HydrophobicContact CD1-CD2 4.06Å; L379-L420 HydrophobicContact CD2-CD2 3.4Å; L379-L420 HydrophobicContact CG-CD2 4.36Å; F393-L420 HydrophobicContact CD1-CD1 3.53Å; F393-L420 HydrophobicContact CD1-CG 4.47Å; F393-L420 HydrophobicContact CE1-CD1 3.98Å; E394-L420 HydrophobicContact CG-CD1 3.72Å; W415-L420 HydrophobicContact CH2-CD1 4.07Å; W415-L420 HydrophobicContact CZ3-CD1 3.62Å; L420-V422 HydrophobicContact CD2-CG2 4.22Å; L420-V422 HydrophobicContact CG-CG2 4.25Å; L420-V422 PolarHBondContact O-N 3.3Å
421W85.8Confident86.1Confident41 Ų4143.3 Ų43.316%0.15525%0.246CC..  trans-84.5106.3173.7-62.7102.3000110F393 K419 D426 L427 R432 A433F393-W421 HydrophobicContact CB-CB 4.16Å; F393-W421 WeakPolarHBondContact CB-O 3.38Å; F393-W421 HydrophobicContact CD2-CB 4.13Å; F393-W421 AromaticContact CD2-CD1 3.6Å; F393-W421 HydrophobicContact CD2-CG 4.27Å; F393-W421 AromaticContact CE2-CD1 3.43Å; F393-W421 VanDerWaalsContact CE2-CD1 3.43Å; F393-W421 HydrophobicContact CE2-CG 4.45Å; F393-W421 HydrophobicContact CG-CB 4Å; F393-W421 AromaticContact CZ-CD1 3.82Å; K419-W421 VanDerWaalsContact CE-CE2 3.49Å; W421-D426 HydrophobicContact CD2-CB 4.28Å; W421-D426 HydrophobicContact CE3-CB 3.74Å; W421-D426 HydrophobicContact CZ3-CB 4.26Å; W421-L427 HydrophobicContact CB-CD2 4.34Å; W421-R432 HydrophobicContact CH2-CB 3.79Å; W421-R432 HydrophobicContact CZ3-CB 4.04Å; W421-A433 HydrophobicContact CD2-CB 3.52Å; W421-A433 HydrophobicContact CE3-CB 4.17Å; W421-A433 HydrophobicContact CG-CB 3.69Å; W421-A433 HydrophobicContact CH2-CB 4.36Å; W421-A433 HydrophobicContact CZ2-CB 3.73Å
422V85.7Confident86.2Confident9 Ų947.4 Ų47.46%0.05526%0.258CS..  trans-87.4-31.2-172.7-177.30000112.1R267 P375 S378 L379 L420R267-V422 HydrophobicContact CG-CG1 4.46Å; P375-V422 HydrophobicContact CB-CG1 4.24Å; P375-V422 WeakPolarHBondContact O-CG1 3.44Å; S378-V422 WeakPolarHBondContact OG-CG1 3.47Å; S378-V422 PolarHBondContact OG-O 3.26Å; L379-V422 HydrophobicContact CD1-CG1 4.42Å; L379-V422 HydrophobicContact CD1-CG2 3.99Å; L379-V422 HydrophobicContact CG-CG1 4.11Å; L379-V422 HydrophobicContact CG-CG2 4.31Å; L420-V422 HydrophobicContact CD2-CG2 4.22Å; L420-V422 HydrophobicContact CG-CG2 4.25Å; L420-V422 PolarHBondContact O-N 3.3Å
423D87Confident86.4Confident14 Ų1441 Ų418%0.07523%0.229CC..SBendtrans-88.4121.4174-163.7-18.5000109.9R224 P375 H425 D426R224-D423 IonicContact CZ-OD2 3.1Å; R224-D423 IonicContact NH1-OD2 2.91Å; R224-D423 PolarHBondContact NH1-OD2 3.39Å; R224-D423 IonicContact NH2-OD2 3.52Å; P375-D423 HydrophobicContact CB-CB 4.35Å; P375-D423 HydrophobicContact CG-CB 3.64Å; P375-D423 VanDerWaalsContact CG-CG 3.48Å; P375-D423 WeakPolarHBondContact CG-OD2 3.28Å; D423-H425 PolarHBondContact O-N 2.93Å; D423-H425 IonicContact OD1-CE1 3.3Å; D423-H425 IonicContact OD1-CG 2.67Å; D423-H425 PolarHBondContact OD1-N 2.85Å; D423-H425 VanDerWaalsContact OD1-N 3.12Å; D423-H425 IonicContact OD1-ND1 2.75Å; D423-H425 PolarHBondContact OD1-ND1 3.11Å; D423-H425 IonicContact OD2-ND1 2.93Å; D423-D426 WeakPolarHBondContact O-CB 3.48Å; D423-D426 PolarHBondContact O-N 3.44Å
424F91Very high86.5Confident4 Ų445.1 Ų45.12%0.01825%0.245CC..G310 helixtrans-66.7-19.2-179.565.2-103.4000113I326 I332 I372 P392 D426 L427 L428I326-F424 HydrophobicContact CG2-CE1 4.2Å; I326-F424 HydrophobicContact CG2-CZ 3.72Å; I332-F424 HydrophobicContact CB-CB 4.41Å; I332-F424 HydrophobicContact CB-CD2 3.88Å; I332-F424 HydrophobicContact CB-CG 4.34Å; I332-F424 HydrophobicContact CD1-CB 4.34Å; I332-F424 HydrophobicContact CG1-CB 3.97Å; I332-F424 HydrophobicContact CG1-CD2 4.38Å; I332-F424 HydrophobicContact CG1-CG 4.4Å; I332-F424 HydrophobicContact CG2-CB 4.41Å; I332-F424 HydrophobicContact CG2-CD2 3.57Å; I332-F424 HydrophobicContact CG2-CE2 3.92Å; I332-F424 HydrophobicContact CG2-CG 3.94Å; I372-F424 HydrophobicContact CG2-CD1 4.1Å; I372-F424 HydrophobicContact CG2-CE1 4.01Å; P392-F424 HydrophobicContact CG-CB 4.28Å; F424-D426 PolarHBondContact O-N 2.89Å; F424-L427 WeakPolarHBondContact O-CB 3.5Å; F424-L427 PolarHBondContact O-N 3.4Å; F424-L428 HydrophobicContact CD2-CD1 4.21Å; F424-L428 HydrophobicContact CE2-CD1 4.43Å
425H89.4Confident86.7Confident33 Ų3344.6 Ų44.615%0.15324%0.241CC..G310 helixtrans-60.8-30.6174.8-66.986.9000112.1I326 K327 H328 D423 L427 L428 G431I326-H425 VanDerWaalsContact CG2-CE1 3.45Å; I326-H425 WeakPolarHBondContact CG2-CE1 3.38Å; K327-H425 PolarHBondContact O-NE2 3.06Å; H328-H425 AromaticContact ND1-CD2 3.99Å; D423-H425 PolarHBondContact O-N 2.93Å; D423-H425 IonicContact OD1-CE1 3.3Å; D423-H425 IonicContact OD1-CG 2.67Å; D423-H425 PolarHBondContact OD1-N 2.85Å; D423-H425 VanDerWaalsContact OD1-N 3.12Å; D423-H425 IonicContact OD1-ND1 2.75Å; D423-H425 PolarHBondContact OD1-ND1 3.11Å; D423-H425 IonicContact OD2-ND1 2.93Å; H425-L427 PolarHBondContact O-N 3.12Å; H425-L427 VanDerWaalsContact O-N 3.17Å; H425-L428 PolarHBondContact O-N 3.29Å; H425-L428 VanDerWaalsContact O-N 3.11Å; H425-G431 WeakPolarHBondContact O-CA 3.24Å
426D88.6Confident86.9Confident27 Ų2744.5 Ų44.514%0.14425%0.245CC..G310 helixtrans-64.1-20.6177.4-70.7-46.7000112.2W421 D423 F424 G431 A433 Y434W421-D426 HydrophobicContact CD2-CB 4.28Å; W421-D426 HydrophobicContact CE3-CB 3.74Å; W421-D426 HydrophobicContact CZ3-CB 4.26Å; D423-D426 WeakPolarHBondContact O-CB 3.48Å; D423-D426 PolarHBondContact O-N 3.44Å; F424-D426 PolarHBondContact O-N 2.89Å; D426-G431 CarbonylContact O-C 3.31Å; D426-A433 HydrophobicContact CB-CB 4.02Å; D426-A433 CarbonylContact O-C 3.37Å; D426-A433 VanDerWaalsContact O-CA 3.23Å; D426-A433 WeakPolarHBondContact O-CA 3.31Å; D426-A433 VanDerWaalsContact O-CB 3.26Å; D426-A433 WeakPolarHBondContact O-CB 3.2Å; D426-A433 PolarHBondContact O-N 3.32Å; D426-Y434 PolarHBondContact O-N 3.33Å
427L92.9Very high87.3Confident1 Ų143.8 Ų43.81%0.00524%0.239CC..G310 helixtrans-93.2-6178.8-50175.5000113.6I332 R335 P392 F393 W421 F424 H425 A433 Y434I332-L427 HydrophobicContact CD1-CB 4.29Å; I332-L427 HydrophobicContact CD1-CD1 4.34Å; R335-L427 PolarHBondContact NE-O 3.43Å; P392-L427 HydrophobicContact CB-CD1 3.75Å; F393-L427 HydrophobicContact CB-CD1 3.95Å; F393-L427 HydrophobicContact CB-CD2 4.12Å; F393-L427 HydrophobicContact CD2-CD2 3.85Å; F393-L427 HydrophobicContact CG-CD2 4.44Å; W421-L427 HydrophobicContact CB-CD2 4.34Å; F424-L427 WeakPolarHBondContact O-CB 3.5Å; F424-L427 PolarHBondContact O-N 3.4Å; H425-L427 PolarHBondContact O-N 3.12Å; H425-L427 VanDerWaalsContact O-N 3.17Å; L427-A433 HydrophobicContact CD2-CB 4.1Å; L427-Y434 WeakPolarHBondContact O-CD2 3.24Å
428L94Very high87.8Confident12 Ų1248.7 Ų48.76%0.06326%0.26CS..SBendtrans-95.3159180-65.1-180000110.9H328 H331 I332 F424 H425 G430 G431 Y434H328-L428 HydrophobicContact CB-CD1 3.89Å; H331-L428 HydrophobicContact CB-CD1 3.99Å; H331-L428 HydrophobicContact CB-CD2 3.95Å; I332-L428 HydrophobicContact CB-CD2 4.08Å; I332-L428 HydrophobicContact CD1-CD2 4.11Å; F424-L428 HydrophobicContact CD2-CD1 4.21Å; F424-L428 HydrophobicContact CE2-CD1 4.43Å; H425-L428 PolarHBondContact O-N 3.29Å; H425-L428 VanDerWaalsContact O-N 3.11Å; L428-G430 PolarHBondContact O-N 3.14Å; L428-G431 WeakPolarHBondContact O-CA 3.47Å; L428-G431 PolarHBondContact O-N 3.41Å; L428-Y434 VanDerWaalsContact O-CB 3.32Å; L428-Y434 WeakPolarHBondContact O-CB 3.42Å; L428-Y434 WeakPolarHBondContact O-CD2 3.32Å
429P92Very high88.6Confident97 Ų9746.3 Ų46.363%0.6325%0.251SS*.THydrogen-bonded Turntrans-50.9128.3178-26.333.8000112.4G431 Y434P429-G431 VanDerWaalsContact C-N 3.32Å; P429-Y434 HydrophobicContact CB-CD2 4.49Å; P429-Y434 HydrophobicContact CB-CE2 4.24Å; P429-Y434 HydrophobicContact CG-CD2 4.23Å; P429-Y434 HydrophobicContact CG-CE2 3.66Å; P429-Y434 VanDerWaalsContact N-CD2 3.31Å
430G85.6Confident89.2Confident86 Ų8641.9 Ų41.989%0.88723%0.232SC*.THydrogen-bonded Turntrans89.3-11.7-17300000114.7L428L428-G430 PolarHBondContact O-N 3.14Å
431G85.6Confident89.6Confident19 Ų1942 Ų4220%0.19623%0.233CC..SBendtrans-72.6153.4170.800000112.7H425 D426 L428 P429 A433 Y434H425-G431 WeakPolarHBondContact O-CA 3.24Å; D426-G431 CarbonylContact O-C 3.31Å; L428-G431 WeakPolarHBondContact O-CA 3.47Å; L428-G431 PolarHBondContact O-N 3.41Å; P429-G431 VanDerWaalsContact C-N 3.32Å; G431-A433 PolarHBondContact O-N 2.99Å; G431-Y434 VanDerWaalsContact O-CB 3.25Å; G431-Y434 WeakPolarHBondContact O-CB 3.4Å; G431-Y434 PolarHBondContact O-N 3.29Å; G431-Y434 VanDerWaalsContact O-N 3.1Å
432R82.4Confident89.6Confident132 Ų13241.8 Ų41.850%0.49824%0.237SC..THydrogen-bonded Turntrans-69.8-23.1-173.9-63.8173.8-175.5174.7-2.2114.4W222 W421W222-R432 PolarHBondContact O-NH2 3.43Å; W421-R432 HydrophobicContact CH2-CB 3.79Å; W421-R432 HydrophobicContact CZ3-CB 4.04Å
433A87.4Confident89.5Confident2 Ų247.9 Ų47.92%0.01727%0.265CS..THydrogen-bonded Turntrans-103.28.7177.500000110.6R413 W421 D426 L427 G431 I435R413-A433 PolarHBondContact NH1-O 3.49Å; R413-A433 PolarHBondContact NH2-O 2.96Å; W421-A433 HydrophobicContact CD2-CB 3.52Å; W421-A433 HydrophobicContact CE3-CB 4.17Å; W421-A433 HydrophobicContact CG-CB 3.69Å; W421-A433 HydrophobicContact CH2-CB 4.36Å; W421-A433 HydrophobicContact CZ2-CB 3.73Å; D426-A433 HydrophobicContact CB-CB 4.02Å; D426-A433 CarbonylContact O-C 3.37Å; D426-A433 VanDerWaalsContact O-CA 3.23Å; D426-A433 WeakPolarHBondContact O-CA 3.31Å; D426-A433 VanDerWaalsContact O-CB 3.26Å; D426-A433 WeakPolarHBondContact O-CB 3.2Å; D426-A433 PolarHBondContact O-N 3.32Å; L427-A433 HydrophobicContact CD2-CB 4.1Å; G431-A433 PolarHBondContact O-N 2.99Å; A433-I435 PolarHBondContact O-N 2.99Å
434Y92.6Very high89.3Confident88 Ų8848.8 Ų48.835%0.34527%0.27SS..  trans-64.2127.7-172175-107.5000111.4D426 L427 L428 P429 G431 P436D426-Y434 PolarHBondContact O-N 3.33Å; L427-Y434 WeakPolarHBondContact O-CD2 3.24Å; L428-Y434 VanDerWaalsContact O-CB 3.32Å; L428-Y434 WeakPolarHBondContact O-CB 3.42Å; L428-Y434 WeakPolarHBondContact O-CD2 3.32Å; P429-Y434 HydrophobicContact CB-CD2 4.49Å; P429-Y434 HydrophobicContact CB-CE2 4.24Å; P429-Y434 HydrophobicContact CG-CD2 4.23Å; P429-Y434 HydrophobicContact CG-CE2 3.66Å; P429-Y434 VanDerWaalsContact N-CD2 3.31Å; G431-Y434 VanDerWaalsContact O-CB 3.25Å; G431-Y434 WeakPolarHBondContact O-CB 3.4Å; G431-Y434 PolarHBondContact O-N 3.29Å; G431-Y434 VanDerWaalsContact O-N 3.1Å; Y434-P436 HydrophobicContact CE1-CG 4.28Å
435I93.1Very high88.9Confident19 Ų1954.3 Ų54.310%0.09731%0.305CS..  trans-133.3133.4173.4-67170.9000107.9R335 E412 R413 A433 N439 V440R335-I435 PolarHBondContact NH1-O 3.18Å; R335-I435 PolarHBondContact NH2-O 3.14Å; E412-I435 HydrophobicContact CB-CD1 3.66Å; R413-I435 HydrophobicContact CG-CD1 3.6Å; R413-I435 VanDerWaalsContact NH1-CD1 3.34Å; A433-I435 PolarHBondContact O-N 2.99Å; I435-N439 HydrophobicContact CG2-CB 3.35Å; I435-V440 HydrophobicContact CB-CG2 4.44Å; I435-V440 HydrophobicContact CG2-CG2 4.14Å
436P93.8Very high88.6Confident37 Ų3759.9 Ų59.924%0.2433%0.331CS..  trans-54.5150.5175.7-26.535.3000112.6Y434 E438 N439 V440Y434-P436 HydrophobicContact CE1-CG 4.28Å; P436-E438 VanDerWaalsContact C-N 3.26Å; P436-E438 HydrophobicContact CB-CG 4.15Å; P436-E438 WeakPolarHBondContact CB-OE1 3.3Å; P436-E438 VanDerWaalsContact CB-OE2 3.22Å; P436-E438 WeakPolarHBondContact CB-OE2 3.49Å; P436-E438 PolarHBondContact O-N 3.45Å; P436-N439 PolarHBondContact O-N 2.95Å; P436-N439 VanDerWaalsContact O-N 3.08Å; P436-V440 PolarHBondContact O-N 2.95Å
437L92.6Very high88.4Confident40 Ų4061.5 Ų61.521%0.20934%0.344CS..Hα-helixtrans-58.8-39.7-173.9-78.5170.4000111.7R335 L339 N439 V440 I441R335-L437 HydrophobicContact CG-CD2 3.94Å; L339-L437 HydrophobicContact CB-CD2 4Å; L339-L437 HydrophobicContact CD1-CD2 3.79Å; L339-L437 HydrophobicContact CG-CD2 4.47Å; L437-N439 PolarHBondContact O-N 3.25Å; L437-V440 PolarHBondContact O-N 3.37Å; L437-I441 WeakPolarHBondContact O-CG2 3.29Å; L437-I441 PolarHBondContact O-N 3.17Å
438E90.2Very high88.1Confident118 Ų11864.4 Ų64.455%0.55136%0.357SS*.Hα-helixtrans-59.4-25.7178.562.1-88.7-156.500114.1P436 I441 P442P436-E438 VanDerWaalsContact C-N 3.26Å; P436-E438 HydrophobicContact CB-CG 4.15Å; P436-E438 WeakPolarHBondContact CB-OE1 3.3Å; P436-E438 VanDerWaalsContact CB-OE2 3.22Å; P436-E438 WeakPolarHBondContact CB-OE2 3.49Å; P436-E438 PolarHBondContact O-N 3.45Å; E438-I441 CarbonylContact O-C 3.47Å; E438-P442 WeakPolarHBondContact O-CA 3.5Å
439N89.8Confident87.7Confident96 Ų9667 Ų6751%0.51338%0.38SS..Hα-helixtrans-88.1-23.1177.6-70.7-7.5000111.8I435 P436 L437I435-N439 HydrophobicContact CG2-CB 3.35Å; P436-N439 PolarHBondContact O-N 2.95Å; P436-N439 VanDerWaalsContact O-N 3.08Å; L437-N439 PolarHBondContact O-N 3.25Å
440V91.6Very high87.3Confident0 Ų064.3 Ų64.30%036%0.36CS..Hα-helixtrans-79.6-44.1172.9-175.10000110.3L339 E396 R400 R413 I435 P436 L437L339-V440 HydrophobicContact CD1-CB 3.98Å; L339-V440 HydrophobicContact CD1-CG1 3.72Å; L339-V440 HydrophobicContact CD2-CG1 4.38Å; E396-V440 HydrophobicContact CB-CG1 3.89Å; E396-V440 HydrophobicContact CG-CG1 4.11Å; R400-V440 WeakPolarHBondContact CA-O 3.33Å; R400-V440 VanDerWaalsContact CD-O 3.25Å; R400-V440 WeakPolarHBondContact CD-O 3.44Å; R413-V440 HydrophobicContact CG-CG2 4.4Å; I435-V440 HydrophobicContact CB-CG2 4.44Å; I435-V440 HydrophobicContact CG2-CG2 4.14Å; P436-V440 PolarHBondContact O-N 2.95Å; L437-V440 PolarHBondContact O-N 3.37Å
441I90.1Very high87.4Confident8 Ų864.4 Ų64.44%0.04134%0.343CS..SBendtrans-118.489.8176.2-177156.7000109.8L339 Y342 A343 I399 Y403 L437 E438 N464L339-I441 HydrophobicContact CD1-CB 4.27Å; L339-I441 HydrophobicContact CD1-CG2 3.85Å; Y342-I441 VanDerWaalsContact C-CD1 3.44Å; A343-I441 HydrophobicContact CB-CD1 3.8Å; I399-I441 HydrophobicContact CG2-CB 4.2Å; I399-I441 HydrophobicContact CG2-CD1 4.17Å; I399-I441 HydrophobicContact CG2-CG1 4.49Å; Y403-I441 HydrophobicContact CD2-CG1 4.18Å; Y403-I441 HydrophobicContact CE1-CG1 4.41Å; Y403-I441 HydrophobicContact CE2-CD1 3.65Å; Y403-I441 HydrophobicContact CE2-CG1 3.74Å; Y403-I441 WeakPolarHBondContact OH-CD1 3.46Å; L437-I441 WeakPolarHBondContact O-CG2 3.29Å; L437-I441 PolarHBondContact O-N 3.17Å; E438-I441 CarbonylContact O-C 3.47Å; I441-N464 WeakPolarHBondContact CG1-ND2 3.33Å
442P86.3Confident87.5Confident36 Ų3663.7 Ų63.723%0.23434%0.335CS..  trans-66.5155.8178.330.8-36.6000110.8Y403 E438 N464Y403-P442 HydrophobicContact CG-CG 4.22Å; E438-P442 WeakPolarHBondContact O-CA 3.5Å; P442-N464 PolarHBondContact O-ND2 2.98Å
443Q83.6Confident87.8Confident137 Ų13763.9 Ų63.964%0.6435%0.345SS*.  trans-72.9136.9176.9-65.7179.4-0.300110.6N464Q443-N464 WeakPolarHBondContact CA-OD1 3.34Å
444V83Confident87.9Confident32 Ų3266.5 Ų66.519%0.19436%0.358CS..  trans-128126.7176.6-166.20000109.7Y403 E446 F448 N464Y403-V444 HydrophobicContact CD1-CG2 3.49Å; Y403-V444 VanDerWaalsContact CD1-CG2 3.49Å; Y403-V444 HydrophobicContact CE1-CG2 3.88Å; V444-E446 WeakPolarHBondContact CG1-O 3.38Å; V444-F448 HydrophobicContact CB-CE1 4.29Å; V444-F448 HydrophobicContact CG1-CD1 3.93Å; V444-F448 HydrophobicContact CG1-CE1 3.76Å; V444-F448 HydrophobicContact CG2-CE1 4.03Å; V444-N464 PolarHBondContact N-OD1 3.13Å; V444-N464 PolarHBondContact O-N 3.41Å
445T82Confident87.6Confident121 Ų12166.3 Ų66.374%0.74236%0.363SS*.SBendtrans-84.1-19.8-178.152.10000113.7
446E82.6Confident87.3Confident149 Ų14967.8 Ų67.870%0.69638%0.384SS*.SBendtrans-130.1140.6-178-66.3-175.2177.600110.4V444V444-E446 WeakPolarHBondContact CG1-O 3.38Å
447S84.9Confident87Confident61 Ų6172.2 Ų72.243%0.42740%0.401SS..  trans-73.5137.8174.8-55.50000110.2I461 P462 E463S447-I461 WeakPolarHBondContact CA-O 3.2Å; S447-I461 WeakPolarHBondContact CB-O 3.33Å; S447-P462 WeakPolarHBondContact OG-CA 3.42Å; S447-E463 PolarHBondContact OG-N 3.09Å
448F86.1Confident86.5Confident62 Ų6274.6 Ų74.627%0.27242%0.421SS..EExtended strand (participates in β ladder)trans-133.8162.1-179.760.9-78.4000110.4C402 Y403 V444 I450 I461C402-F448 VanDerWaalsContact O-CE2 3.32Å; C402-F448 WeakPolarHBondContact O-CE2 3.41Å; C402-F448 VanDerWaalsContact O-CZ 3.28Å; C402-F448 WeakPolarHBondContact O-CZ 3.09Å; Y403-F448 HydrophobicContact CD1-CE1 4.35Å; Y403-F448 HydrophobicContact CD1-CZ 4.07Å; Y403-F448 HydrophobicContact CE1-CZ 4.49Å; V444-F448 HydrophobicContact CB-CE1 4.29Å; V444-F448 HydrophobicContact CG1-CD1 3.93Å; V444-F448 HydrophobicContact CG1-CE1 3.76Å; V444-F448 HydrophobicContact CG2-CE1 4.03Å; F448-I450 HydrophobicContact CD2-CG1 4.11Å; F448-I450 HydrophobicContact CE2-CD1 3.95Å; F448-I450 HydrophobicContact CE2-CG1 3.9Å; F448-I461 HydrophobicContact CD1-CB 4.34Å; F448-I461 HydrophobicContact CD1-CG2 4.47Å; F448-I461 HydrophobicContact CE1-CB 3.92Å; F448-I461 HydrophobicContact CE1-CG2 3.69Å; F448-I461 HydrophobicContact CE2-CB 4.23Å; F448-I461 HydrophobicContact CE2-CD1 3.69Å; F448-I461 HydrophobicContact CE2-CG1 4.42Å; F448-I461 HydrophobicContact CZ-CB 3.88Å; F448-I461 HydrophobicContact CZ-CD1 3.71Å; F448-I461 HydrophobicContact CZ-CG1 4.37Å; F448-I461 HydrophobicContact CZ-CG2 3.77Å; F448-I461 PolarHBondContact N-O 2.91Å; F448-I461 VanDerWaalsContact N-O 3.13Å; F448-I461 PolarHBondContact O-N 3.38Å
449A85.6Confident86Confident66 Ų6670.5 Ų70.555%0.54540%0.402SS..EExtended strand (participates in β ladder)trans-107.4136.8-179.700000110.5H459A449-H459 WeakPolarHBondContact CA-O 3.47Å
450I85.1Confident85.7Confident41 Ų4170.1 Ų70.121%0.2140%0.399CS..EExtended strand (participates in β ladder)trans-111.4140.7170.3-65.8-164.7000109.1C402 F448 S458 H459 I461C402-I450 HydrophobicContact CB-CD1 4.06Å; C402-I450 WeakPolarHBondContact O-CD1 3.36Å; F448-I450 HydrophobicContact CD2-CG1 4.11Å; F448-I450 HydrophobicContact CE2-CD1 3.95Å; F448-I450 HydrophobicContact CE2-CG1 3.9Å; I450-S458 CarbonylContact O-C 3.58Å; I450-S458 WeakPolarHBondContact O-CA 3.27Å; I450-H459 PolarHBondContact N-O 3.45Å; I450-H459 PolarHBondContact O-N 3.4Å; I450-H459 PolarHBondContact O-ND1 2.91Å; I450-I461 HydrophobicContact CD1-CD1 3.39Å; I450-I461 HydrophobicContact CG1-CD1 3.76Å
451V87.7Confident85.3Confident89 Ų8970.7 Ų70.754%0.53940%0.402SS..EExtended strand (participates in β ladder)trans-93.2124.7172.6-177.80000109.1L453V451-L453 PolarHBondContact O-N 2.88Å
452S87.6Confident84.8Confident4 Ų472 Ų723%0.02841%0.411CS..  trans-62.1129.5171.3171.60000110.5D313 I454 N455 G456 H457D313-S452 VanDerWaalsContact OD1-CB 3.24Å; D313-S452 WeakPolarHBondContact OD1-CB 3.48Å; D313-S452 PolarHBondContact OD1-OG 2.99Å; D313-S452 WeakPolarHBondContact OD2-CB 3.46Å; D313-S452 PolarHBondContact OD2-OG 3.26Å; S452-I454 PolarHBondContact O-N 3.11Å; S452-I454 PolarHBondContact OG-N 3.25Å; S452-I454 VanDerWaalsContact OG-N 3.11Å; S452-N455 WeakPolarHBondContact CB-OD1 3.25Å; S452-N455 PolarHBondContact OG-N 3.41Å; S452-N455 PolarHBondContact OG-OD1 3.24Å; S452-N455 VanDerWaalsContact OG-OD1 3.1Å; S452-G456 WeakPolarHBondContact O-CA 3.48Å; S452-G456 PolarHBondContact O-N 3.11Å; S452-H457 PolarHBondContact N-O 3.32Å
453L89.1Confident84.6Confident136 Ų13674 Ų7471%0.71242%0.417SS*.THydrogen-bonded Turntrans-75.1-6.7173.6-60.2-176.6000113.1V451V451-L453 PolarHBondContact O-N 2.88Å
454I87.9Confident84.3Confident56 Ų5668.2 Ų68.229%0.28739%0.391SS..THydrogen-bonded Turntrans-97.4-48.3-177.6-60.1176.6000111.6Y306 E309 K310 S452Y306-I454 HydrophobicContact CD2-CD1 4.19Å; Y306-I454 HydrophobicContact CE2-CD1 4.01Å; Y306-I454 HydrophobicContact CE2-CG2 4.36Å; E309-I454 VanDerWaalsContact C-CD1 3.49Å; E309-I454 HydrophobicContact CB-CD1 3.56Å; E309-I454 HydrophobicContact CB-CG1 3.83Å; K310-I454 HydrophobicContact CB-CD1 4.2Å; K310-I454 HydrophobicContact CD-CD1 3.5Å; K310-I454 VanDerWaalsContact CD-CD1 3.5Å; K310-I454 HydrophobicContact CG-CD1 3.55Å; K310-I454 VanDerWaalsContact N-CD1 3.31Å; S452-I454 PolarHBondContact O-N 3.11Å; S452-I454 PolarHBondContact OG-N 3.25Å; S452-I454 VanDerWaalsContact OG-N 3.11Å
455N86.8Confident83.6Confident84 Ų8473 Ų7345%0.44941%0.409SS..THydrogen-bonded Turntrans-115.4-6.3-175.164.422.4000113.3S452 H457S452-N455 WeakPolarHBondContact CB-OD1 3.25Å; S452-N455 PolarHBondContact OG-N 3.41Å; S452-N455 PolarHBondContact OG-OD1 3.24Å; S452-N455 VanDerWaalsContact OG-OD1 3.1Å; N455-H457 VanDerWaalsContact CG-CD2 3.43Å; N455-H457 PolarHBondContact O-N 3.17Å; N455-H457 WeakPolarHBondContact OD1-CB 3.24Å; N455-H457 PolarHBondContact OD1-N 3.48Å
456G87Confident82.2Confident51 Ų5171.1 Ų71.153%0.52640%0.399SS..  trans72.54.9-179.900000114.7S452S452-G456 WeakPolarHBondContact O-CA 3.48Å; S452-G456 PolarHBondContact O-N 3.11Å
457H86.5Confident80.7Confident129 Ų12968.9 Ų68.960%0.59739%0.388SS*.  trans-79.6142.6177.2-66.4-54.6000111.1S452 N455S452-H457 PolarHBondContact N-O 3.32Å; N455-H457 VanDerWaalsContact CG-CD2 3.43Å; N455-H457 PolarHBondContact O-N 3.17Å; N455-H457 WeakPolarHBondContact OD1-CB 3.24Å; N455-H457 PolarHBondContact OD1-N 3.48Å
458S82.8Confident78.5Confident90 Ų9070.3 Ų70.363%0.62940%0.398SS*.EExtended strand (participates in β ladder)trans-83.7136.9170.856.50000111I450I450-S458 CarbonylContact O-C 3.58Å; I450-S458 WeakPolarHBondContact O-CA 3.27Å
459H80.5Confident76.5Confident33 Ų3374.3 Ų74.315%0.15342%0.422CS..EExtended strand (participates in β ladder)trans-122.3142168.860.7-91.9000109.9D313 A449 I450D313-H459 IonicContact OD1-CE1 2.76Å; D313-H459 IonicContact OD1-ND1 3.95Å; A449-H459 WeakPolarHBondContact CA-O 3.47Å; I450-H459 PolarHBondContact N-O 3.45Å; I450-H459 PolarHBondContact O-N 3.4Å; I450-H459 PolarHBondContact O-ND1 2.91Å
460L82.5Confident74.1Confident88 Ų8875.6 Ų75.646%0.46143%0.427SS..EExtended strand (participates in β ladder)trans-83.9128.9179.4-170.181000109.4
461I83.2Confident71.8Confident12 Ų1279.4 Ų79.46%0.06245%0.448CS..EExtended strand (participates in β ladder)trans-95.7114.3165-63.8180000107.3C402 Y403 S447 F448 I450C402-I461 HydrophobicContact CB-CD1 3.65Å; C402-I461 WeakPolarHBondContact O-CD1 3.45Å; Y403-I461 HydrophobicContact CD1-CG2 4.34Å; Y403-I461 HydrophobicContact CE1-CG2 3.52Å; S447-I461 WeakPolarHBondContact CA-O 3.2Å; S447-I461 WeakPolarHBondContact CB-O 3.33Å; F448-I461 HydrophobicContact CD1-CB 4.34Å; F448-I461 HydrophobicContact CD1-CG2 4.47Å; F448-I461 HydrophobicContact CE1-CB 3.92Å; F448-I461 HydrophobicContact CE1-CG2 3.69Å; F448-I461 HydrophobicContact CE2-CB 4.23Å; F448-I461 HydrophobicContact CE2-CD1 3.69Å; F448-I461 HydrophobicContact CE2-CG1 4.42Å; F448-I461 HydrophobicContact CZ-CB 3.88Å; F448-I461 HydrophobicContact CZ-CD1 3.71Å; F448-I461 HydrophobicContact CZ-CG1 4.37Å; F448-I461 HydrophobicContact CZ-CG2 3.77Å; F448-I461 PolarHBondContact N-O 2.91Å; F448-I461 VanDerWaalsContact N-O 3.13Å; F448-I461 PolarHBondContact O-N 3.38Å; I450-I461 HydrophobicContact CD1-CD1 3.39Å; I450-I461 HydrophobicContact CG1-CD1 3.76Å
462P80.4Confident69.4Low35 Ų3583.9 Ų83.923%0.22746%0.463CS..  trans-72.8161179.630.8-35.1000111.8K344 S447K344-P462 HydrophobicContact CB-CG 3.85Å; K344-P462 HydrophobicContact CG-CG 3.56Å; S447-P462 WeakPolarHBondContact OG-CA 3.42Å
463E81.1Confident66.8Low79 Ų7985.8 Ų85.837%0.36948%0.483SS..  trans-61140.4168.254.4162.8-154.600111.1S447 K465S447-E463 PolarHBondContact OG-N 3.09Å; E463-K465 IonicContact OE1-NZ 2.81Å; E463-K465 PolarHBondContact OE1-NZ 3.12Å; E463-K465 WeakPolarHBondContact OE2-CE 3.42Å; E463-K465 IonicContact OE2-NZ 2.89Å; E463-K465 PolarHBondContact OE2-NZ 3.2Å
464N77.2Confident64Low14 Ų1488.3 Ų88.38%0.07549%0.488CS..  trans-121.281-177.960.7-7.5000110.7I441 P442 Q443 V444I441-N464 WeakPolarHBondContact CG1-ND2 3.33Å; P442-N464 PolarHBondContact O-ND2 2.98Å; Q443-N464 WeakPolarHBondContact CA-OD1 3.34Å; V444-N464 PolarHBondContact N-OD1 3.13Å; V444-N464 PolarHBondContact O-N 3.41Å
465K67.9Low61.6Low133 Ų13393.4 Ų93.458%0.57852%0.516SS*.PPolyproline II helixtrans-72.2137.3171.7-69.6172-179.3132.80110E463 H467E463-K465 IonicContact OE1-NZ 2.81Å; E463-K465 PolarHBondContact OE1-NZ 3.12Å; E463-K465 WeakPolarHBondContact OE2-CE 3.42Å; E463-K465 IonicContact OE2-NZ 2.89Å; E463-K465 PolarHBondContact OE2-NZ 3.2Å; K465-H467 PolarHBondContact O-N 2.95Å
466P54Low58.9Low81 Ų8195.2 Ų95.253%0.52653%0.525SS..PPolyproline II helixtrans-63.4121.5171.126-31.8000108.7S468P466-S468 PolarHBondContact O-N 3.29Å
467H51.6Low56.7Low103 Ų10396.9 Ų96.948%0.47753%0.529SS..PPolyproline II helixtrans-66.5128.9164.5-76.4-86.5000107.3K465K465-H467 PolarHBondContact O-N 2.95Å
468S38.3Very low54.1Low90 Ų9097.7 Ų97.763%0.62953%0.533SS*.PPolyproline II helixtrans-57138.8166.848.90000109.2P466 S470P466-S468 PolarHBondContact O-N 3.29Å; S468-S470 PolarHBondContact O-N 3.13Å
469D42.8Very low51.7Low146 Ų14697.5 Ų97.578%0.78153%0.532SS*.THydrogen-bonded Turntrans-55.514.5-173.1-70.5-37.7000117.1
470S36.9Very low49.6Very low93 Ų93101.4 Ų101.465%0.6555%0.553SS**THydrogen-bonded Turntrans-91.3-7.8177.558.80000115.2S468S468-S470 PolarHBondContact O-N 3.13Å
471D35.9Very low47.3Very low121 Ų121101.8 Ų101.865%0.64756%0.555SS**  trans-107.354.7177.5-87.4-14.2000112.2G473D471-G473 PolarHBondContact O-N 3.39Å
472H36.4Very low45.1Very low184 Ų184107.7 Ų107.785%0.85259%0.591SS**  trans-79.414157.5-86.3-59.9000112.7
473G33.7Very low42.9Very low44 Ų44114.1 Ų114.145%0.45461%0.611SS.*SBendtrans-136.7112.9-17300000112.6D471D471-G473 PolarHBondContact O-N 3.39Å
474K29.9Very low41.2Very low188 Ų188116.8 Ų116.882%0.81764%0.638SS**  trans93.289.9168.2-54173.4-177.1174.80114.5N476K474-N476 PolarHBondContact O-N 3.18Å
475D37.6Very low39.4Very low163 Ų163120.1 Ų120.187%0.87266%0.663SS**  trans-49.780.8144.1-74.8-38.5000110S477D475-S477 VanDerWaalsContact C-N 3.33Å; D475-S477 PolarHBondContact O-N 2.83Å
476N31.1Very low37.8Very low122 Ų122117.8 Ų117.865%0.65268%0.676SS**  trans-83.991.3155.7-87-1.5000105.9K474 Q478K474-N476 PolarHBondContact O-N 3.18Å; N476-Q478 PolarHBondContact O-N 3.22Å
477S40.5Very low36.8Very low86 Ų86121.6 Ų121.660%0.60169%0.687SS**THydrogen-bonded Turntrans-63.438.8171.850.50000113.7D475D475-S477 VanDerWaalsContact C-N 3.33Å; D475-S477 PolarHBondContact O-N 2.83Å
478Q32.3Very low36Very low146 Ų146124.3 Ų124.368%0.68270%0.704SS**THydrogen-bonded Turntrans-131.516.2-176.3-67.6-170.7-1800113N476 L480N476-Q478 PolarHBondContact O-N 3.22Å; Q478-L480 PolarHBondContact O-N 3.19Å
479S32.9Very low36Very low86 Ų86125.3 Ų125.360%0.60170%0.701SS**  trans-70.599.8172.463.40000110.2I481S479-I481 PolarHBondContact O-N 3.33Å
480L34.4Very low35.6Very low115 Ų115122.6 Ų122.660%0.60269%0.687SS**PPolyproline II helixtrans-64.8122.2173.7-72.4160.8000110.1Q478Q478-L480 PolarHBondContact O-N 3.19Å
481I36Very low35.7Very low97 Ų97122 Ų12250%0.49767%0.672SS.*PPolyproline II helixtrans-92.1122.7169.6-59.7175.6000108.4S479 F491S479-I481 PolarHBondContact O-N 3.33Å; I481-F491 HydrophobicContact CD1-CD2 4.48Å; I481-F491 HydrophobicContact CD1-CE2 4.17Å; I481-F491 HydrophobicContact CD1-CZ 4.48Å
482V35.2Very low36Very low136 Ų136117.2 Ų117.282%0.82465%0.649SS**PPolyproline II helixtrans-77.3119.6175.3179.50000109.1
483R34.4Very low36.4Very low169 Ų169111 Ų11164%0.63862%0.62SS**PPolyproline II helixtrans-97.3146.8164.1-81.2-168.9170.9-171-1.5110.5S485R483-S485 PolarHBondContact O-N 3.38Å
484S46Very low36.9Very low135 Ų135117.9 Ų117.994%0.94463%0.633SS**SBendtrans-67.12.4-179.8510000115
485S39.7Very low37.4Very low85 Ų85113.5 Ų113.559%0.59462%0.618SS**SBendtrans-134.278.9176.962.10000110.8R483 E487R483-S485 PolarHBondContact O-N 3.38Å; S485-E487 PolarHBondContact O-N 2.63Å
486G33.8Very low37.8Very low83 Ų83108.7 Ų108.786%0.85659%0.592SS**SBendtrans51.8-13.2148.700000122.4
487E33Very low38.5Very low162 Ų162107.6 Ų107.676%0.75759%0.586SS**  trans-101.9105-178.7-75-173.7160.500109.1S485 I489S485-E487 PolarHBondContact O-N 2.63Å; E487-I489 PolarHBondContact O-N 3.36Å
488L35.9Very low39Very low159 Ų159108.6 Ų108.683%0.83259%0.593SS**  trans-71.4113169.8-63.3166000107.8
489I38Very low40.1Very low112 Ų112111.7 Ų111.757%0.57460%0.598SS**  trans-105.9119.8162.5-61.3177.4000107.2E487 F491E487-I489 PolarHBondContact O-N 3.36Å; I489-F491 PolarHBondContact O-N 2.78Å
490D33.9Very low41.2Very low89 Ų89111.9 Ų111.948%0.47659%0.586SS.*  trans-62121.3172.7-174.211.6000109.5S492D490-S492 VanDerWaalsContact CG-OG 3.24Å; D490-S492 PolarHBondContact O-N 3Å; D490-S492 PolarHBondContact OD1-N 2.96Å; D490-S492 VanDerWaalsContact OD1-N 3.17Å; D490-S492 WeakPolarHBondContact OD2-CB 3.49Å; D490-S492 PolarHBondContact OD2-OG 2.93Å
491F39.8Very low42.4Very low79 Ų79113.5 Ų113.535%0.34660%0.601SS.*SBendtrans-83.719.2176.7-116.4-87.9000112.4I481 I489 Q493I481-F491 HydrophobicContact CD1-CD2 4.48Å; I481-F491 HydrophobicContact CD1-CE2 4.17Å; I481-F491 HydrophobicContact CD1-CZ 4.48Å; I489-F491 PolarHBondContact O-N 2.78Å; F491-Q493 HydrophobicContact CD1-CG 4.46Å; F491-Q493 PolarHBondContact O-N 3.43Å
492S41.8Very low43.4Very low21 Ų21117.3 Ų117.315%0.14761%0.609CS.*  trans-69.550.7157.378.40000111.1D490 W494 N495D490-S492 VanDerWaalsContact CG-OG 3.24Å; D490-S492 PolarHBondContact O-N 3Å; D490-S492 PolarHBondContact OD1-N 2.96Å; D490-S492 VanDerWaalsContact OD1-N 3.17Å; D490-S492 WeakPolarHBondContact OD2-CB 3.49Å; D490-S492 PolarHBondContact OD2-OG 2.93Å; S492-W494 PolarHBondContact O-N 3.02Å; S492-W494 VanDerWaalsContact O-N 3.08Å; S492-N495 WeakPolarHBondContact O-CA 3.47Å; S492-N495 VanDerWaalsContact O-CB 3.29Å; S492-N495 WeakPolarHBondContact O-CB 3.49Å; S492-N495 PolarHBondContact O-N 3.46Å; S492-N495 PolarHBondContact OG-ND2 3.28Å
493Q43.8Very low44.7Very low53 Ų53115.1 Ų115.125%0.24859%0.586CS.*THydrogen-bonded Turntrans-74.20.7-168.6-85.1176-10.600115.3Y316 F491 N495Y316-Q493 HydrophobicContact CE1-CB 4.3Å; Y316-Q493 PolarHBondContact OH-NE2 3.19Å; Y316-Q493 PolarHBondContact OH-OE1 2.99Å; F491-Q493 HydrophobicContact CD1-CG 4.46Å; F491-Q493 PolarHBondContact O-N 3.43Å; Q493-N495 VanDerWaalsContact C-N 3.31Å
494W43.9Very low46.2Very low190 Ų190108.3 Ų108.372%0.7257%0.569SS**THydrogen-bonded Turntrans-81.1-12.3160-132.5-56.4000112.9I348 S492 L496I348-W494 HydrophobicContact CB-CH2 3.89Å; I348-W494 HydrophobicContact CB-CZ2 4.45Å; I348-W494 HydrophobicContact CD1-CH2 3.68Å; I348-W494 HydrophobicContact CD1-CZ2 3.48Å; I348-W494 VanDerWaalsContact CD1-CZ2 3.48Å; I348-W494 HydrophobicContact CG1-CH2 3.76Å; I348-W494 HydrophobicContact CG1-CZ2 4.12Å; S492-W494 PolarHBondContact O-N 3.02Å; S492-W494 VanDerWaalsContact O-N 3.08Å; W494-L496 PolarHBondContact O-N 3.39Å
495N40.8Very low47Very low96 Ų96110.2 Ų110.251%0.51357%0.567SS.*  trans-81.740.7169.6-70.2-37.3000112.9S492 Q493 N497S492-N495 WeakPolarHBondContact O-CA 3.47Å; S492-N495 VanDerWaalsContact O-CB 3.29Å; S492-N495 WeakPolarHBondContact O-CB 3.49Å; S492-N495 PolarHBondContact O-N 3.46Å; S492-N495 PolarHBondContact OG-ND2 3.28Å; Q493-N495 VanDerWaalsContact C-N 3.31Å; N495-N497 PolarHBondContact O-N 2.86Å; N495-N497 PolarHBondContact OD1-ND2 3.15Å
496L46.4Very low48.2Very low62 Ų62110.4 Ų110.433%0.32556%0.562SS.*G310 helixtrans-663.8151.5-97.6138.6000112.5E365 W494 S498 R499E365-L496 HydrophobicContact CG-CD1 4.35Å; W494-L496 PolarHBondContact O-N 3.39Å; L496-S498 PolarHBondContact O-N 2.85Å; L496-R499 HydrophobicContact CD2-CB 4.34Å; L496-R499 PolarHBondContact O-N 3.15Å
497N46Very low49.6Very low99 Ų99110.6 Ų110.653%0.52955%0.548SS..G310 helixtrans-47-4.3162.2-75.8-16.1000115.7N495 Y503N495-N497 PolarHBondContact O-N 2.86Å; N495-N497 PolarHBondContact OD1-ND2 3.15Å; N497-Y503 VanDerWaalsContact CA-OH 3.26Å; N497-Y503 WeakPolarHBondContact CA-OH 3.49Å; N497-Y503 HydrophobicContact CB-CE1 4.46Å; N497-Y503 PolarHBondContact O-OH 2.96Å; N497-Y503 WeakPolarHBondContact OD1-CE1 3.04Å
498S51.6Low51.3Low106 Ų106107.8 Ų107.874%0.74153%0.534SS*.G310 helixtrans-97.9-19.2173.9590000114.6L496L496-S498 PolarHBondContact O-N 2.85Å
499R54.5Low52.9Low211 Ų211107.4 Ų107.480%0.79653%0.531SS*.THydrogen-bonded Turntrans-104.3-18-174.7-75.6-170.1176.7-173.70.4115.3L496L496-R499 HydrophobicContact CD2-CB 4.34Å; L496-R499 PolarHBondContact O-N 3.15Å
500R55.5Low54.7Low91 Ų91105.9 Ų105.934%0.34354%0.542SS..  trans-86.2133.6-179.1-68.4177.5170.7-167.4-6.5110.7E365 Y503E365-R500 IonicContact OE1-CZ 3.45Å; E365-R500 IonicContact OE1-NE 3.2Å; E365-R500 PolarHBondContact OE1-NE 3.1Å; E365-R500 IonicContact OE1-NH2 3.74Å; E365-R500 PolarHBondContact OE1-NH2 2.88Å; E365-R500 IonicContact OE2-CZ 2.96Å; E365-R500 IonicContact OE2-NH2 3.68Å; E365-R500 PolarHBondContact OE2-NH2 2.91Å; R500-Y503 HydrophobicContact CB-CD1 4.41Å; R500-Y503 HydrophobicContact CB-CE1 3.78Å; R500-Y503 HydrophobicContact CB-CE2 4.13Å; R500-Y503 HydrophobicContact CG-CE1 4.47Å; R500-Y503 WeakPolarHBondContact O-CE2 3.35Å; R500-Y503 PolarHBondContact O-OH 3.32Å
501T59.6Low56.9Low149 Ų149109 Ų10991%0.91455%0.554SS**SBendtrans-83.2-18169.351.30000112.2
502W57.6Low58.6Low176 Ų176109 Ų10967%0.66756%0.561SS**  trans-139.3130.8-176.3-170.679.6000111.1
503Y62.3Low60.4Low90 Ų90113.7 Ų113.735%0.35359%0.591SS.*  trans-114.517.9-173-69.7-83.9000113.1N497 R500N497-Y503 VanDerWaalsContact CA-OH 3.26Å; N497-Y503 WeakPolarHBondContact CA-OH 3.49Å; N497-Y503 HydrophobicContact CB-CE1 4.46Å; N497-Y503 PolarHBondContact O-OH 2.96Å; N497-Y503 WeakPolarHBondContact OD1-CE1 3.04Å; R500-Y503 HydrophobicContact CB-CD1 4.41Å; R500-Y503 HydrophobicContact CB-CE1 3.78Å; R500-Y503 HydrophobicContact CB-CE2 4.13Å; R500-Y503 HydrophobicContact CG-CE1 4.47Å; R500-Y503 WeakPolarHBondContact O-CE2 3.35Å; R500-Y503 PolarHBondContact O-OH 3.32Å
504G65.7Low62Low26 Ų26119.1 Ų119.127%0.26862%0.62SS.*SBendtrans79-160.1-168.900000112.5D506G504-D506 PolarHBondContact O-N 3.39Å
505L63.1Low63.6Low175 Ų175114.2 Ų114.292%0.91662%0.62SS**SBendtrans-74.368.9170.4-67.2168.5000109.2P507L505-P507 VanDerWaalsContact O-CD 3.24Å; L505-P507 WeakPolarHBondContact O-CD 3.47Å
506D64.4Low65.5Low89 Ų89117.8 Ų117.848%0.47663%0.633SS.*  trans-65.8113.8167.7-178.3-1.5000107.4G504 K508G504-D506 PolarHBondContact O-N 3.39Å; D506-K508 HydrophobicContact CB-CG 4.37Å; D506-K508 PolarHBondContact O-N 3.06Å; D506-K508 PolarHBondContact OD1-N 3.19Å
507P63.4Low67.2Low88 Ų88122.9 Ų122.957%0.57166%0.659SS**  trans-65.5-10.7-172.627.4-35.2000112.6L505 I509L505-P507 VanDerWaalsContact O-CD 3.24Å; L505-P507 WeakPolarHBondContact O-CD 3.47Å; P507-I509 HydrophobicContact CB-CD1 4.18Å; P507-I509 HydrophobicContact CB-CG1 3.71Å; P507-I509 HydrophobicContact CG-CD1 3.99Å; P507-I509 HydrophobicContact CG-CG1 3.89Å; P507-I509 PolarHBondContact O-N 2.8Å
508K69.4Low69Low103 Ų103126.6 Ų126.645%0.44867%0.671SS.*  trans41.844.7176.3-73.3-167.6178.4-173.90111.9D506 G510 Q511 T512D506-K508 HydrophobicContact CB-CG 4.37Å; D506-K508 PolarHBondContact O-N 3.06Å; D506-K508 PolarHBondContact OD1-N 3.19Å; K508-G510 PolarHBondContact O-N 3.09Å; K508-G510 VanDerWaalsContact O-N 3.12Å; K508-Q511 HydrophobicContact CB-CB 4.26Å; K508-Q511 PolarHBondContact O-N 3.08Å; K508-T512 HydrophobicContact CB-CG2 4.08Å; K508-T512 HydrophobicContact CD-CG2 4.35Å; K508-T512 PolarHBondContact O-N 3Å; K508-T512 PolarHBondContact O-OG1 3.19Å
509I69Low70.5Confident150 Ų150129.2 Ų129.277%0.76968%0.676SS**THydrogen-bonded Turntrans-58.1117.6-168-59.6171.8000108.9P507 Q511P507-I509 HydrophobicContact CB-CD1 4.18Å; P507-I509 HydrophobicContact CB-CG1 3.71Å; P507-I509 HydrophobicContact CG-CD1 3.99Å; P507-I509 HydrophobicContact CG-CG1 3.89Å; P507-I509 PolarHBondContact O-N 2.8Å; I509-Q511 VanDerWaalsContact C-N 3.3Å; I509-Q511 PolarHBondContact O-N 3.14Å
510G77Confident71.7Confident80 Ų80121.9 Ų121.983%0.82567%0.666SS**THydrogen-bonded Turntrans81.9-6.3-178.700000115.9K508K508-G510 PolarHBondContact O-N 3.09Å; K508-G510 VanDerWaalsContact O-N 3.12Å
511Q79.7Confident73Confident155 Ų155125.5 Ų125.572%0.72468%0.68SS**THydrogen-bonded Turntrans-95.9-26.6175.3-60.6179.86.600112.7K508 I509K508-Q511 HydrophobicContact CB-CB 4.26Å; K508-Q511 PolarHBondContact O-N 3.08Å; I509-Q511 VanDerWaalsContact C-N 3.3Å; I509-Q511 PolarHBondContact O-N 3.14Å
512T75.4Confident74Confident78 Ų78122.4 Ų122.448%0.47966%0.66SS.*SBendtrans-94136.2174.141.40000110.4K508 I514K508-T512 HydrophobicContact CB-CG2 4.08Å; K508-T512 HydrophobicContact CD-CG2 4.35Å; K508-T512 PolarHBondContact O-N 3Å; K508-T512 PolarHBondContact O-OG1 3.19Å; T512-I514 PolarHBondContact O-N 3.38Å
513P78.4Confident75.1Confident121 Ų121116.5 Ų116.579%0.78665%0.654SS**PPolyproline II helixtrans-60.4141.3172.825.9-32.7000109.4A515P513-A515 PolarHBondContact O-N 3.36Å
514I78.1Confident75.7Confident167 Ų167118.4 Ų118.486%0.85667%0.67SS**PPolyproline II helixtrans-54.8116.2176.1-62.6164.2000107.6T512 Q516T512-I514 PolarHBondContact O-N 3.38Å; I514-Q516 PolarHBondContact O-N 2.97Å
515A77Confident76Confident86 Ų86121.9 Ų121.971%0.71169%0.688SS**PPolyproline II helixtrans-62.7126175.400000108.3P513 I517P513-A515 PolarHBondContact O-N 3.36Å; A515-I517 PolarHBondContact O-N 3.29Å
516Q82.4Confident76.7Confident171 Ų171121.2 Ų121.280%0.79968%0.684SS**PPolyproline II helixtrans-60.1132.2169.6-70.4-174.8-15.200108.5I514 K518I514-Q516 PolarHBondContact O-N 2.97Å; Q516-K518 PolarHBondContact O-N 3Å; Q516-K518 VanDerWaalsContact O-N 3.09Å
517I81.6Confident77.2Confident169 Ų169123 Ų12387%0.86769%0.689SS**PPolyproline II helixtrans-58.3117.7176.6-60.9170.5000107.2A515A515-I517 PolarHBondContact O-N 3.29Å
518K83.3Confident77.9Confident178 Ų178121.9 Ų121.977%0.77467%0.674SS**  trans-108.7138.1169.2-67.4-177-179.3-178.30107.1Q516 G520Q516-K518 PolarHBondContact O-N 3Å; Q516-K518 VanDerWaalsContact O-N 3.09Å; K518-G520 PolarHBondContact O-N 3.48Å
519D82.2Confident78.3Confident161 Ų161121.5 Ų121.586%0.86168%0.68SS**PPolyproline II helixtrans-55.9126.7170.2-70.9-26.6000108.6
520G80.6Confident78.7Confident56 Ų56119.7 Ų119.758%0.57767%0.672SS**PPolyproline II helixtrans-69.9167.8175.200000110.7K518 T522K518-G520 PolarHBondContact O-N 3.48Å; G520-T522 PolarHBondContact O-N 2.91Å
521R82.1Confident78.6Confident168 Ų168120.3 Ų120.363%0.63465%0.654SS**PPolyproline II helixtrans-59.7130.5172.9-61.6-178.7-177.5-178.8-1.1109.6Y528 E531R521-Y528 HydrophobicContact CB-CD1 3.46Å; R521-Y528 VanDerWaalsContact CB-CD1 3.46Å; R521-Y528 HydrophobicContact CB-CD2 4.41Å; R521-Y528 HydrophobicContact CB-CE1 3.9Å; R521-Y528 HydrophobicContact CB-CG 3.74Å; R521-E531 IonicContact NH1-OE1 3.7Å
522T80.4Confident78Confident83 Ų83121.8 Ų121.851%0.50966%0.658SS.*PPolyproline II helixtrans-100.4141176.747.20000110.9G520 Y528 T529G520-T522 PolarHBondContact O-N 2.91Å; T522-Y528 CarbonylContact O-C 3.52Å; T522-Y528 WeakPolarHBondContact O-CA 3.38Å; T522-T529 PolarHBondContact O-N 3.25Å; T522-T529 PolarHBondContact O-OG1 3.29Å; T522-T529 PolarHBondContact OG1-OG1 3.35Å
523G81.7Confident77.4Confident52 Ų52123 Ų12354%0.53666%0.661SS.*EExtended strand (participates in β ladder)trans124.6-174.6177.700000114.7
524L75Confident76.7Confident130 Ų130123.5 Ų123.568%0.68166%0.662SS**EExtended strand (participates in β ladder)trans-75.3146.4175.5-70.3169.8000109.5I526 Q527 Y528L524-I526 PolarHBondContact O-N 3.03Å; L524-Q527 CarbonylContact O-C 3.4Å; L524-Q527 PolarHBondContact O-N 2.96Å; L524-Y528 PolarHBondContact O-N 3.11Å
525P72.2Confident75.8Confident99 Ų99123.8 Ų123.864%0.64366%0.664SS**THydrogen-bonded Turntrans-57-19.6178.4-26.834.6000115.4
526I76.3Confident74.6Confident162 Ų162124 Ų12483%0.83166%0.66SS**THydrogen-bonded Turntrans-82-22.3177.9-61.2165.6000111.2L524L524-I526 PolarHBondContact O-N 3.03Å
527Q75.6Confident72.9Confident126 Ų126120.5 Ų120.559%0.58966%0.655SS**EExtended strand (participates in β ladder)trans-159.484.5-175.5-165.9172.917.500109.9L524L524-Q527 CarbonylContact O-C 3.4Å; L524-Q527 PolarHBondContact O-N 2.96Å
528Y78.1Confident70.9Confident64 Ų64124 Ų12425%0.25168%0.675SS.*EExtended strand (participates in β ladder)trans-69.8145.3170.5-68.9-75000109.8R521 T522 L524 D530 E531R521-Y528 HydrophobicContact CB-CD1 3.46Å; R521-Y528 VanDerWaalsContact CB-CD1 3.46Å; R521-Y528 HydrophobicContact CB-CD2 4.41Å; R521-Y528 HydrophobicContact CB-CE1 3.9Å; R521-Y528 HydrophobicContact CB-CG 3.74Å; T522-Y528 CarbonylContact O-C 3.52Å; T522-Y528 WeakPolarHBondContact O-CA 3.38Å; L524-Y528 PolarHBondContact O-N 3.11Å; Y528-D530 PolarHBondContact O-N 3.4Å; Y528-D530 VanDerWaalsContact O-N 3.16Å; Y528-E531 PolarHBondContact N-OE2 3.29Å; Y528-E531 WeakPolarHBondContact O-CB 3.45Å; Y528-E531 PolarHBondContact O-N 3.35Å
529T79Confident70.3Confident96 Ų96121.3 Ų121.359%0.58967%0.67SS**THydrogen-bonded Turntrans-58.4-30.9-178.252.90000112.9T522T522-T529 PolarHBondContact O-N 3.25Å; T522-T529 PolarHBondContact O-OG1 3.29Å; T522-T529 PolarHBondContact OG1-OG1 3.35Å
530D77.4Confident69.7Low112 Ų112119.2 Ų119.260%0.59966%0.66SS**THydrogen-bonded Turntrans-93.8-2.4-178-45.9-35.8000112.5Y528 K532Y528-D530 PolarHBondContact O-N 3.4Å; Y528-D530 VanDerWaalsContact O-N 3.16Å; D530-K532 PolarHBondContact O-N 3.3Å
531E74.3Confident69.1Low92 Ų92122.7 Ų122.743%0.4367%0.665SS.*SBendtrans-81.3107.6179.7-161.4158.2-13800108.7R521 Y528 N533R521-E531 IonicContact NH1-OE1 3.7Å; Y528-E531 PolarHBondContact N-OE2 3.29Å; Y528-E531 WeakPolarHBondContact O-CB 3.45Å; Y528-E531 PolarHBondContact O-N 3.35Å; E531-N533 PolarHBondContact O-N 2.84Å
532K66.2Low68.3Low187 Ų187120 Ų12081%0.81367%0.667SS**  trans-58.3126.9174.7-72.9-175.5177.1-178.10108.6D530 V534D530-K532 PolarHBondContact O-N 3.3Å; K532-V534 PolarHBondContact O-N 3.29Å
533N63.5Low67.6Low103 Ų103122.3 Ų122.355%0.55168%0.676SS**  trans-52.8103.4171.5-100.1-24.3000109.1E531 L535 S536E531-N533 PolarHBondContact O-N 2.84Å; N533-L535 PolarHBondContact O-N 3.35Å; N533-S536 PolarHBondContact O-N 3.04Å; N533-S536 PolarHBondContact O-OG 3.28Å
534V63.4Low66.6Low131 Ų131127 Ų12779%0.79469%0.686SS**THydrogen-bonded Turntrans-64.8-18.6176-177.60000110.6K532K532-V534 PolarHBondContact O-N 3.29Å
535L59.1Low66Low173 Ų173126.8 Ų126.891%0.90669%0.686SS**THydrogen-bonded Turntrans-89.60.7-179.5-66.8171.5000114.8N533N533-L535 PolarHBondContact O-N 3.35Å
536S51.9Low65.6Low90 Ų90128.9 Ų128.963%0.62969%0.689SS**  trans-108.569.9170.363.70000109.9N533N533-S536 PolarHBondContact O-N 3.04Å; N533-S536 PolarHBondContact O-OG 3.28Å
537S46.4Very low64.7Low99 Ų99126.2 Ų126.269%0.69268%0.678SS**  trans-11582.1157.161.70000107.6
538D40.9Very low63.7Low241 Ų241126.2 Ų126.2100%1.28969%0.686SS**  trans-159.10146.4-87.7-23.8000108.4

Retrieved 538 of 538 residues in 964.7 ms (Link to these results)

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