G4VFZ8_SCHMA Loading...

Putative clathrin coat adaptor ap3 medium chain

AlphaFold DB , UniProt , Accession G4VFZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 416 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
1M84.8Confident92.3Very high64 Ų6428.4 Ų28.432%0.31514%0.144SC..  0146.9065.1179.367.600108.7Q3 T21 C69 A70M1-Q3 HydrophobicContact CG-CG 4.47Å; M1-Q3 PolarHBondContact O-N 2.89Å; M1-T21 HydrophobicContact SD-CG2 3.83Å; M1-C69 WeakPolarHBondContact O-CA 3.3Å; M1-A70 HydrophobicContact CG-CB 4.28Å; M1-A70 PolarHBondContact O-N 3.09Å
2L89.4Confident92.2Very high5 Ų529.9 Ų29.93%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-74.4119.7173.8-166.9155.4000108.2W20 A67 V78 F81 L116 G119L2-W20 HydrophobicContact CD2-CE3 3.63Å; L2-W20 HydrophobicContact CD2-CH2 4.13Å; L2-W20 HydrophobicContact CD2-CZ3 3.33Å; L2-A67 HydrophobicContact CD1-CB 3.98Å; L2-A67 HydrophobicContact CG-CB 4.26Å; L2-V78 HydrophobicContact CD1-CG1 4.39Å; L2-F81 HydrophobicContact CD1-CD1 3.68Å; L2-F81 HydrophobicContact CD1-CE1 3.79Å; L2-L116 HydrophobicContact CB-CD1 4.48Å; L2-L116 HydrophobicContact CB-CD2 4.41Å; L2-L116 HydrophobicContact CD1-CD1 4.35Å; L2-L116 HydrophobicContact CD2-CD2 3.95Å; L2-G119 PolarHBondContact N-O 3.26Å; L2-G119 VanDerWaalsContact O-CA 3.23Å; L2-G119 WeakPolarHBondContact O-CA 3.21Å
3Q92Very high92.2Very high16 Ų1635.2 Ų35.28%0.07518%0.177CC..EExtended strand (participates in β ladder)trans-93.6-41.2-178.1-66.2-175.4-55.300112.2M1 W20 I24 N53 V68 A70M1-Q3 HydrophobicContact CG-CG 4.47Å; M1-Q3 PolarHBondContact O-N 2.89Å; Q3-W20 PolarHBondContact O-N 2.98Å; Q3-I24 HydrophobicContact CB-CG1 4.32Å; Q3-N53 PolarHBondContact OE1-OD1 3.01Å; Q3-V68 PolarHBondContact N-O 2.95Å; Q3-A70 HydrophobicContact CG-CB 3.68Å; Q3-A70 VanDerWaalsContact NE2-CB 3.25Å
4S94Very high92.4Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-151.6151.8-172.2-52.40000111.4K18 H19 I24 A67 V68S4-K18 CarbonylContact C-O 3.5Å; S4-K18 WeakPolarHBondContact CA-O 3.46Å; S4-K18 WeakPolarHBondContact CB-O 3.48Å; S4-H19 WeakPolarHBondContact CB-ND1 3.39Å; S4-H19 PolarHBondContact OG-ND1 2.95Å; S4-I24 WeakPolarHBondContact OG-CG1 3.31Å; S4-A67 WeakPolarHBondContact O-CA 3.35Å; S4-V68 PolarHBondContact N-O 3.35Å; S4-V68 PolarHBondContact O-N 3.31Å
5L95.1Very high92.5Very high0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans-124.5128.8173.9172.365000107.6E17 K18 W20 L66 L82 V85 L112L5-E17 CarbonylContact O-C 3.47Å; L5-E17 WeakPolarHBondContact O-CA 3.4Å; L5-K18 PolarHBondContact N-O 3.14Å; L5-K18 PolarHBondContact O-N 3.41Å; L5-W20 HydrophobicContact CB-CH2 3.65Å; L5-W20 HydrophobicContact CB-CZ3 3.54Å; L5-W20 HydrophobicContact CD2-CH2 4.2Å; L5-L66 CarbonylContact C-O 3.58Å; L5-L66 WeakPolarHBondContact CA-O 3.45Å; L5-L82 HydrophobicContact CD1-CD2 3.37Å; L5-V85 HydrophobicContact CD2-CG1 4.13Å; L5-L112 HydrophobicContact CD2-CD1 4.01Å; L5-L112 HydrophobicContact CD2-CD2 3.81Å
6F96Very high92.7Very high0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans-116.3138.4170-59.7-94000109I8 L16 E17 H19 I24 L66 V68F6-I8 HydrophobicContact CB-CD1 3.93Å; F6-I8 HydrophobicContact CB-CG1 3.86Å; F6-L16 CarbonylContact C-O 3.54Å; F6-L16 WeakPolarHBondContact CA-O 2.99Å; F6-E17 HydrophobicContact CD1-CB 3.52Å; F6-E17 HydrophobicContact CE1-CB 3.68Å; F6-E17 HydrophobicContact CG-CB 4.49Å; F6-H19 AromaticContact CZ-CE1 3.6Å; F6-I24 HydrophobicContact CE2-CG2 4.41Å; F6-I24 HydrophobicContact CZ-CB 4.36Å; F6-I24 HydrophobicContact CZ-CG2 4.38Å; F6-L66 HydrophobicContact CB-CB 4.29Å; F6-L66 PolarHBondContact N-O 2.89Å; F6-L66 PolarHBondContact O-N 2.77Å; F6-V68 HydrophobicContact CD2-CG2 4.02Å; F6-V68 HydrophobicContact CE2-CG2 3.68Å
7I96.8Very high92.8Very high0 Ų033.4 Ų33.40%017%0.168CC..EExtended strand (participates in β ladder)trans-112.4117.4167-52.7178.3000107.1C15 L16 L63 Y64 F65 I89 I101I7-C15 HydrophobicContact CG2-CB 4.45Å; I7-C15 WeakPolarHBondContact O-CB 3.12Å; I7-C15 PolarHBondContact O-N 3.24Å; I7-L16 HydrophobicContact CB-CB 4.21Å; I7-L16 HydrophobicContact CD1-CB 4.23Å; I7-L16 HydrophobicContact CD1-CD2 4.19Å; I7-L16 HydrophobicContact CG1-CB 4.33Å; I7-L16 HydrophobicContact CG1-CD2 4.34Å; I7-L16 PolarHBondContact N-O 2.91Å; I7-L16 PolarHBondContact O-N 3.18Å; I7-L63 HydrophobicContact CG2-CB 4.15Å; I7-L63 HydrophobicContact CG2-CD1 4.17Å; I7-Y64 CarbonylContact C-O 3.58Å; I7-Y64 VanDerWaalsContact CA-O 3.32Å; I7-Y64 WeakPolarHBondContact CA-O 3.38Å; I7-F65 HydrophobicContact CD1-CD1 3.97Å; I7-F65 HydrophobicContact CD1-CE1 3.57Å; I7-F65 HydrophobicContact CD1-CZ 4.27Å; I7-F65 HydrophobicContact CG1-CD1 3.88Å; I7-F65 HydrophobicContact CG1-CE1 3.96Å; I7-F65 HydrophobicContact CG2-CE1 4.45Å; I7-F65 HydrophobicContact CG2-CE2 4.48Å; I7-F65 HydrophobicContact CG2-CZ 4.34Å; I7-I89 HydrophobicContact CD1-CD1 4.11Å; I7-I101 HydrophobicContact CD1-CD1 4.02Å; I7-I101 HydrophobicContact CD1-CG2 4.47Å; I7-I101 HydrophobicContact CG2-CD1 3.8Å
8I95.2Very high92.9Very high0 Ų032.7 Ų32.70%016%0.164CC..EExtended strand (participates in β ladder)trans-129.4136.3-167.9-41.2170.7000109.2F6 E13 N29 F33 L63 Y64 L66F6-I8 HydrophobicContact CB-CD1 3.93Å; F6-I8 HydrophobicContact CB-CG1 3.86Å; I8-E13 WeakPolarHBondContact CA-O 3.29Å; I8-E13 WeakPolarHBondContact CG2-O 3.49Å; I8-N29 HydrophobicContact CD1-CB 3.98Å; I8-N29 VanDerWaalsContact CD1-CG 3.47Å; I8-N29 WeakPolarHBondContact CD1-OD1 3.44Å; I8-F33 HydrophobicContact CB-CE2 4.35Å; I8-F33 HydrophobicContact CD1-CE2 4.46Å; I8-F33 HydrophobicContact CG2-CE2 3.66Å; I8-F33 HydrophobicContact CG2-CZ 4.12Å; I8-L63 WeakPolarHBondContact O-CA 3.23Å; I8-Y64 PolarHBondContact N-O 3.45Å; I8-Y64 PolarHBondContact O-N 3.25Å; I8-L66 HydrophobicContact CD1-CB 4.46Å; I8-L66 HydrophobicContact CD1-CD2 3.92Å
9N92.8Very high92.9Very high10 Ų1033.4 Ų33.45%0.05317%0.167CC..EExtended strand (participates in β ladder)trans-79.1174.7173.372.812.3000111.6S11 N12 E13 F33 L63 E98N9-S11 PolarHBondContact O-N 3.01Å; N9-S11 VanDerWaalsContact O-N 3.08Å; N9-S11 WeakPolarHBondContact OD1-CA 3.49Å; N9-S11 WeakPolarHBondContact OD1-CB 3.39Å; N9-S11 PolarHBondContact OD1-N 2.98Å; N9-N12 PolarHBondContact O-N 3.21Å; N9-N12 PolarHBondContact OD1-N 2.81Å; N9-E13 PolarHBondContact N-O 3.33Å; N9-E13 PolarHBondContact ND2-OE2 2.66Å; N9-E13 WeakPolarHBondContact OD1-CB 3.14Å; N9-E13 PolarHBondContact OD1-N 3.44Å; N9-F33 VanDerWaalsContact O-CZ 3.22Å; N9-F33 WeakPolarHBondContact O-CZ 3.34Å; N9-L63 HydrophobicContact CB-CD2 4.01Å; N9-E98 PolarHBondContact ND2-OE1 2.97Å; N9-E98 PolarHBondContact ND2-OE2 3.07Å
10R89.3Confident92.7Very high125 Ų12534 Ų3447%0.47217%0.167SC..THydrogen-bonded Turntrans-65.3-8.9179.2-70.6-168.1177-161.31.3115F33 N62 Y64R10-F33 WeakPolarHBondContact O-CE1 3.35Å; R10-N62 PolarHBondContact NE-OD1 3.19Å; R10-N62 PolarHBondContact NH2-OD1 3.18Å; R10-N62 VanDerWaalsContact NH2-OD1 3.17Å; R10-Y64 HydrophobicContact CG-CE2 4.26Å
11S90.1Very high92.2Very high92 Ų9235.3 Ų35.364%0.64318%0.177SC*.THydrogen-bonded Turntrans-98.810.8179-55.80000113.1N9 E13N9-S11 PolarHBondContact O-N 3.01Å; N9-S11 VanDerWaalsContact O-N 3.08Å; N9-S11 WeakPolarHBondContact OD1-CA 3.49Å; N9-S11 WeakPolarHBondContact OD1-CB 3.39Å; N9-S11 PolarHBondContact OD1-N 2.98Å; S11-E13 VanDerWaalsContact C-N 3.28Å; S11-E13 PolarHBondContact O-N 3.3Å
12N91Very high92.1Very high47 Ų4739.2 Ų39.225%0.25119%0.192SC..SBendtrans6524.5-173.4-163.121.7000114.2N9 D30 F33N9-N12 PolarHBondContact O-N 3.21Å; N9-N12 PolarHBondContact OD1-N 2.81Å; N12-D30 PolarHBondContact ND2-OD1 3.11Å; N12-F33 VanDerWaalsContact CA-CZ 3.47Å; N12-F33 HydrophobicContact CB-CD1 3.72Å; N12-F33 HydrophobicContact CB-CD2 3.65Å; N12-F33 HydrophobicContact CB-CE1 3.8Å; N12-F33 HydrophobicContact CB-CE2 3.75Å; N12-F33 HydrophobicContact CB-CG 3.66Å; N12-F33 HydrophobicContact CB-CZ 3.83Å; N12-F33 WeakPolarHBondContact OD1-CD2 3.46Å; N12-F33 WeakPolarHBondContact OD1-CE2 3.44Å
13E92.6Very high91.9Very high99 Ų9945.9 Ų45.946%0.46323%0.228SC..  trans-91.4126.8173.6-53.7178.6157.500110.7I8 N9 S11 C15I8-E13 WeakPolarHBondContact CA-O 3.29Å; I8-E13 WeakPolarHBondContact CG2-O 3.49Å; N9-E13 PolarHBondContact N-O 3.33Å; N9-E13 PolarHBondContact ND2-OE2 2.66Å; N9-E13 WeakPolarHBondContact OD1-CB 3.14Å; N9-E13 PolarHBondContact OD1-N 3.44Å; S11-E13 VanDerWaalsContact C-N 3.28Å; S11-E13 PolarHBondContact O-N 3.3Å; E13-C15 PolarHBondContact O-N 3.09Å
14I93.9Very high91.6Very high51 Ų5146.2 Ų46.226%0.26223%0.23SC..EExtended strand (participates in β ladder)trans-75.1113.1178.7-56.7173000108.8E17 K26 N29I14-E17 HydrophobicContact CG2-CB 3.99Å; I14-E17 HydrophobicContact CG2-CG 4.44Å; I14-K26 HydrophobicContact CD1-CB 4.49Å; I14-K26 HydrophobicContact CD1-CD 3.82Å; I14-K26 HydrophobicContact CD1-CG 4.09Å; I14-N29 WeakPolarHBondContact CD1-ND2 3.42Å; I14-N29 WeakPolarHBondContact CG1-ND2 3.38Å
15C94.8Very high91.2Very high10 Ų1049.8 Ų49.87%0.06826%0.255CS..EExtended strand (participates in β ladder)trans-80.9-36.3172.5-55.30000111.2I7 E13 I101I7-C15 HydrophobicContact CG2-CB 4.45Å; I7-C15 WeakPolarHBondContact O-CB 3.12Å; I7-C15 PolarHBondContact O-N 3.24Å; E13-C15 PolarHBondContact O-N 3.09Å; C15-I101 HydrophobicContact CB-CG2 4.14Å
16L95.8Very high90.8Very high5 Ų555 Ų553%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-154.2140178.9-177.4143.4000110F6 I7 K18 I101 V105 I108 Y109 L112F6-L16 CarbonylContact C-O 3.54Å; F6-L16 WeakPolarHBondContact CA-O 2.99Å; I7-L16 HydrophobicContact CB-CB 4.21Å; I7-L16 HydrophobicContact CD1-CB 4.23Å; I7-L16 HydrophobicContact CD1-CD2 4.19Å; I7-L16 HydrophobicContact CG1-CB 4.33Å; I7-L16 HydrophobicContact CG1-CD2 4.34Å; I7-L16 PolarHBondContact N-O 2.91Å; I7-L16 PolarHBondContact O-N 3.18Å; L16-K18 HydrophobicContact CD2-CB 4.34Å; L16-I101 HydrophobicContact CB-CG2 3.88Å; L16-I101 HydrophobicContact CD1-CG2 4.24Å; L16-V105 HydrophobicContact CD1-CG1 4.38Å; L16-I108 HydrophobicContact CD1-CB 3.91Å; L16-I108 HydrophobicContact CD1-CD1 4.45Å; L16-I108 HydrophobicContact CD1-CG2 3.51Å; L16-Y109 HydrophobicContact CD1-CD2 3.94Å; L16-Y109 HydrophobicContact CD1-CE2 3.87Å; L16-Y109 HydrophobicContact CD2-CE2 4.38Å; L16-Y109 HydrophobicContact CG-CD2 4.37Å; L16-Y109 HydrophobicContact CG-CE2 3.84Å; L16-L112 HydrophobicContact CD2-CD1 3.93Å
17E94.7Very high90.4Very high43 Ų4358.8 Ų58.820%0.20130%0.301CS..EExtended strand (participates in β ladder)trans-131.8132.816964.8-168.7175.100109.4L5 F6 I14 K26 Y109L5-E17 CarbonylContact O-C 3.47Å; L5-E17 WeakPolarHBondContact O-CA 3.4Å; F6-E17 HydrophobicContact CD1-CB 3.52Å; F6-E17 HydrophobicContact CE1-CB 3.68Å; F6-E17 HydrophobicContact CG-CB 4.49Å; I14-E17 HydrophobicContact CG2-CB 3.99Å; I14-E17 HydrophobicContact CG2-CG 4.44Å; E17-K26 WeakPolarHBondContact OE1-CE 3.45Å; E17-K26 IonicContact OE1-NZ 3.2Å; E17-K26 PolarHBondContact OE1-NZ 3.42Å; E17-K26 WeakPolarHBondContact OE2-CE 3.49Å; E17-K26 IonicContact OE2-NZ 2.76Å; E17-K26 PolarHBondContact OE2-NZ 3.07Å; E17-Y109 PolarHBondContact O-OH 3.27Å
18K93.7Very high90Very high22 Ų2259.6 Ų59.610%0.09631%0.306CS..EExtended strand (participates in β ladder)trans-130.2132176.4178.968.1179-172.10108.8S4 L5 L16 W20 Y109 L112 D113S4-K18 CarbonylContact C-O 3.5Å; S4-K18 WeakPolarHBondContact CA-O 3.46Å; S4-K18 WeakPolarHBondContact CB-O 3.48Å; L5-K18 PolarHBondContact N-O 3.14Å; L5-K18 PolarHBondContact O-N 3.41Å; L16-K18 HydrophobicContact CD2-CB 4.34Å; K18-W20 HydrophobicContact CB-CH2 4.11Å; K18-W20 HydrophobicContact CB-CZ2 4.49Å; K18-W20 HydrophobicContact CB-CZ3 4.2Å; K18-W20 HydrophobicContact CG-CD2 4.01Å; K18-W20 HydrophobicContact CG-CE3 4.08Å; K18-W20 HydrophobicContact CG-CH2 3.75Å; K18-W20 HydrophobicContact CG-CZ2 3.66Å; K18-W20 HydrophobicContact CG-CZ3 3.95Å; K18-Y109 HydrophobicContact CD-CD1 3.72Å; K18-Y109 HydrophobicContact CD-CE1 3.83Å; K18-Y109 HydrophobicContact CD-CG 4.32Å; K18-L112 HydrophobicContact CB-CD1 4.08Å; K18-L112 HydrophobicContact CG-CD1 4.27Å; K18-D113 WeakPolarHBondContact CE-OD1 3.42Å; K18-D113 IonicContact NZ-OD1 2.76Å; K18-D113 PolarHBondContact NZ-OD1 3.24Å; K18-D113 IonicContact NZ-OD2 3.92Å; K18-D113 PolarHBondContact NZ-OD2 3.27Å
19H92.7Very high89.7Confident46 Ų4659.7 Ų59.721%0.21331%0.306CS..EExtended strand (participates in β ladder)trans-119.6128.6176.3-52.1-75000108.9S4 F6 I24S4-H19 WeakPolarHBondContact CB-ND1 3.39Å; S4-H19 PolarHBondContact OG-ND1 2.95Å; F6-H19 AromaticContact CZ-CE1 3.6Å; H19-I24 PolarHBondContact ND1-N 3.31Å
20W89.9Confident89.6Confident44 Ų4462.9 Ų62.917%0.16732%0.323CS..SBendtrans-102.1-26.1179.4-72.1-93.2000113.5L2 Q3 L5 K18 L112 L116L2-W20 HydrophobicContact CD2-CE3 3.63Å; L2-W20 HydrophobicContact CD2-CH2 4.13Å; L2-W20 HydrophobicContact CD2-CZ3 3.33Å; Q3-W20 PolarHBondContact O-N 2.98Å; L5-W20 HydrophobicContact CB-CH2 3.65Å; L5-W20 HydrophobicContact CB-CZ3 3.54Å; L5-W20 HydrophobicContact CD2-CH2 4.2Å; K18-W20 HydrophobicContact CB-CH2 4.11Å; K18-W20 HydrophobicContact CB-CZ2 4.49Å; K18-W20 HydrophobicContact CB-CZ3 4.2Å; K18-W20 HydrophobicContact CG-CD2 4.01Å; K18-W20 HydrophobicContact CG-CE3 4.08Å; K18-W20 HydrophobicContact CG-CH2 3.75Å; K18-W20 HydrophobicContact CG-CZ2 3.66Å; K18-W20 HydrophobicContact CG-CZ3 3.95Å; W20-L112 HydrophobicContact CH2-CD2 4.4Å; W20-L112 HydrophobicContact CZ2-CB 3.92Å; W20-L112 HydrophobicContact CZ2-CD2 4.29Å; W20-L116 HydrophobicContact CB-CD2 4.37Å; W20-L116 HydrophobicContact CD2-CD2 3.32Å; W20-L116 HydrophobicContact CE3-CD2 3.72Å; W20-L116 HydrophobicContact CG-CD2 3.64Å; W20-L116 HydrophobicContact CH2-CD2 4.13Å; W20-L116 HydrophobicContact CZ2-CB 3.93Å; W20-L116 HydrophobicContact CZ2-CD2 3.77Å; W20-L116 HydrophobicContact CZ2-CG 4.45Å; W20-L116 HydrophobicContact CZ3-CD2 4.11Å; W20-L116 PolarHBondContact NE1-O 3.24Å
21T82.4Confident89.6Confident63 Ų6360.1 Ų60.139%0.38732%0.32SS..SBendtrans-124.3-59.7-173.352.90000112.8M1M1-T21 HydrophobicContact SD-CG2 3.83Å
22K81.9Confident89.7Confident146 Ų14655.7 Ų55.764%0.63529%0.29SS*.SBendtrans-130.1144.7176.9-67.1-175.9179.9179.50109.5I24K22-I24 PolarHBondContact O-N 3.19Å
23N84.3Confident89.7Confident144 Ų14454.4 Ų54.477%0.7728%0.282SS*.PPolyproline II helixtrans-68.6118.2172.1-68-1.9000108.7
24I86.3Confident89.6Confident23 Ų2354.5 Ų54.512%0.11829%0.285CS..PPolyproline II helixtrans-92.1134.7177.5-63.2-61.9000108.7Q3 S4 F6 H19 K22 V28 V68Q3-I24 HydrophobicContact CB-CG1 4.32Å; S4-I24 WeakPolarHBondContact OG-CG1 3.31Å; F6-I24 HydrophobicContact CE2-CG2 4.41Å; F6-I24 HydrophobicContact CZ-CB 4.36Å; F6-I24 HydrophobicContact CZ-CG2 4.38Å; H19-I24 PolarHBondContact ND1-N 3.31Å; K22-I24 PolarHBondContact O-N 3.19Å; I24-V28 HydrophobicContact CG2-CB 4.15Å; I24-V28 HydrophobicContact CG2-CG2 3.51Å; I24-V68 HydrophobicContact CD1-CG1 4.38Å; I24-V68 HydrophobicContact CG1-CG1 4.22Å; I24-V68 HydrophobicContact CG2-CG1 4.24Å; I24-V68 HydrophobicContact CG2-CG2 4.37Å
25S86.7Confident89.4Confident76 Ų7652.6 Ų52.653%0.53128%0.277SS..PPolyproline II helixtrans-61.7141.4177.3-174.90000111.2T27 V28S25-T27 PolarHBondContact O-N 3.15Å; S25-T27 VanDerWaalsContact O-N 3.07Å; S25-T27 PolarHBondContact OG-N 2.77Å; S25-T27 PolarHBondContact OG-OG1 2.88Å; S25-V28 PolarHBondContact O-N 2.93Å; S25-V28 VanDerWaalsContact O-N 3.15Å
26K85.5Confident89.1Confident109 Ų10953.1 Ų53.147%0.47428%0.28SS..THydrogen-bonded Turntrans-61.4-16.6175.6-60.6-173.3-177.2-147.70113.3I14 E17 V28 N29I14-K26 HydrophobicContact CD1-CB 4.49Å; I14-K26 HydrophobicContact CD1-CD 3.82Å; I14-K26 HydrophobicContact CD1-CG 4.09Å; E17-K26 WeakPolarHBondContact OE1-CE 3.45Å; E17-K26 IonicContact OE1-NZ 3.2Å; E17-K26 PolarHBondContact OE1-NZ 3.42Å; E17-K26 WeakPolarHBondContact OE2-CE 3.49Å; E17-K26 IonicContact OE2-NZ 2.76Å; E17-K26 PolarHBondContact OE2-NZ 3.07Å; K26-V28 PolarHBondContact O-N 3.15Å; K26-V28 VanDerWaalsContact O-N 3.09Å; K26-N29 VanDerWaalsContact O-CB 3.32Å; K26-N29 WeakPolarHBondContact O-CB 3.23Å; K26-N29 PolarHBondContact O-N 2.84Å
27T87.3Confident88.7Confident79 Ų7958.4 Ų58.449%0.48531%0.313SS..Hα-helixtrans-56.1-23.1172.7-38.40000113.5S25 N29 D30 T31S25-T27 PolarHBondContact O-N 3.15Å; S25-T27 VanDerWaalsContact O-N 3.07Å; S25-T27 PolarHBondContact OG-N 2.77Å; S25-T27 PolarHBondContact OG-OG1 2.88Å; T27-N29 PolarHBondContact O-N 2.82Å; T27-D30 PolarHBondContact O-N 2.76Å; T27-T31 PolarHBondContact O-N 3.35Å; T27-T31 PolarHBondContact O-OG1 2.9Å; T27-T31 VanDerWaalsContact O-OG1 3.06Å
28V89.7Confident88.3Confident17 Ų1764.2 Ų64.210%0.10334%0.337CS..Hα-helixtrans-61.7-34.9173.1170.40000111.5I24 S25 K26 T31 F32 L55 V68I24-V28 HydrophobicContact CG2-CB 4.15Å; I24-V28 HydrophobicContact CG2-CG2 3.51Å; S25-V28 PolarHBondContact O-N 2.93Å; S25-V28 VanDerWaalsContact O-N 3.15Å; K26-V28 PolarHBondContact O-N 3.15Å; K26-V28 VanDerWaalsContact O-N 3.09Å; V28-T31 PolarHBondContact O-N 2.66Å; V28-F32 PolarHBondContact O-N 2.86Å; V28-L55 HydrophobicContact CG1-CD1 3.86Å; V28-L55 HydrophobicContact CG1-CD2 3.33Å; V28-L55 HydrophobicContact CG1-CG 4.25Å; V28-V68 HydrophobicContact CG1-CG2 3.89Å
29N89.5Confident87.8Confident2 Ų268.5 Ų68.51%0.01135%0.354CS..Hα-helixtrans-69.7-38.7177.7-60.5-14.3000110.9I8 I14 K26 T27 T31 F32 F33I8-N29 HydrophobicContact CD1-CB 3.98Å; I8-N29 VanDerWaalsContact CD1-CG 3.47Å; I8-N29 WeakPolarHBondContact CD1-OD1 3.44Å; I14-N29 WeakPolarHBondContact CD1-ND2 3.42Å; I14-N29 WeakPolarHBondContact CG1-ND2 3.38Å; K26-N29 VanDerWaalsContact O-CB 3.32Å; K26-N29 WeakPolarHBondContact O-CB 3.23Å; K26-N29 PolarHBondContact O-N 2.84Å; T27-N29 PolarHBondContact O-N 2.82Å; N29-T31 VanDerWaalsContact C-N 3.33Å; N29-T31 PolarHBondContact O-N 3.44Å; N29-F32 WeakPolarHBondContact O-CB 3.35Å; N29-F32 PolarHBondContact O-N 3.48Å; N29-F33 WeakPolarHBondContact O-CB 3.42Å; N29-F33 WeakPolarHBondContact O-CD2 3.35Å; N29-F33 PolarHBondContact O-N 2.96Å
30D90.3Very high86.9Confident78 Ų7869.3 Ų69.342%0.41737%0.368SS..Hα-helixtrans-62.3-43.1174.8-56.2-35.5000110.9N12 T27 F32 F33 D34N12-D30 PolarHBondContact ND2-OD1 3.11Å; T27-D30 PolarHBondContact O-N 2.76Å; D30-F32 VanDerWaalsContact C-N 3.3Å; D30-F32 PolarHBondContact O-N 2.87Å; D30-F33 PolarHBondContact O-N 3.2Å; D30-D34 PolarHBondContact O-N 3.11Å
31T89.6Confident85.8Confident66 Ų6670.9 Ų70.941%0.40539%0.391SS..Hα-helixtrans-61.5-39.9175.3-53.20000111.8T27 V28 N29 A35 T50T27-T31 PolarHBondContact O-N 3.35Å; T27-T31 PolarHBondContact O-OG1 2.9Å; T27-T31 VanDerWaalsContact O-OG1 3.06Å; V28-T31 PolarHBondContact O-N 2.66Å; N29-T31 VanDerWaalsContact C-N 3.33Å; N29-T31 PolarHBondContact O-N 3.44Å; T31-A35 PolarHBondContact O-N 2.6Å; T31-T50 HydrophobicContact CG2-CG2 3.98Å
32F92.1Very high85.1Confident0 Ų070.3 Ų70.30%040%0.398CS..Hα-helixtrans-65-45.5174.5174.7-106.2000111.5V28 N29 D30 D34 A35 V36 V44 L48 L55 H57 Y64 L66V28-F32 PolarHBondContact O-N 2.86Å; N29-F32 WeakPolarHBondContact O-CB 3.35Å; N29-F32 PolarHBondContact O-N 3.48Å; D30-F32 VanDerWaalsContact C-N 3.3Å; D30-F32 PolarHBondContact O-N 2.87Å; F32-D34 VanDerWaalsContact C-N 3.35Å; F32-D34 PolarHBondContact O-N 3.46Å; F32-A35 WeakPolarHBondContact O-CA 3.44Å; F32-A35 WeakPolarHBondContact O-CB 3.37Å; F32-A35 PolarHBondContact O-N 2.86Å; F32-V36 HydrophobicContact CD1-CG2 3.98Å; F32-V36 HydrophobicContact CE1-CG2 3.53Å; F32-V36 HydrophobicContact CE2-CG2 4.16Å; F32-V36 HydrophobicContact CG-CG2 4.48Å; F32-V36 HydrophobicContact CZ-CG2 3.62Å; F32-V36 WeakPolarHBondContact O-CG2 3.41Å; F32-V36 PolarHBondContact O-N 3.19Å; F32-V44 HydrophobicContact CE2-CG1 4.42Å; F32-L48 HydrophobicContact CD2-CD1 3.73Å; F32-L48 HydrophobicContact CE2-CD1 4.19Å; F32-L55 HydrophobicContact CB-CD1 4.39Å; F32-H57 HydrophobicContact CE2-CB 3.91Å; F32-H57 AromaticContact CE2-CD2 3.79Å; F32-H57 AromaticContact CE2-CE1 3.99Å; F32-H57 AromaticContact CE2-CG 3.49Å; F32-H57 VanDerWaalsContact CE2-CG 3.49Å; F32-H57 AromaticContact CE2-ND1 3.65Å; F32-H57 HydrophobicContact CZ-CB 4.15Å; F32-H57 AromaticContact CZ-CD2 3.63Å; F32-H57 AromaticContact CZ-CG 3.76Å; F32-Y64 AromaticContact CE1-CD1 3.88Å; F32-Y64 HydrophobicContact CE1-CD1 3.88Å; F32-Y64 HydrophobicContact CE1-CD2 4.05Å; F32-Y64 HydrophobicContact CE1-CE1 4.35Å; F32-Y64 AromaticContact CE1-CG 3.7Å; F32-Y64 HydrophobicContact CE1-CG 3.7Å; F32-Y64 AromaticContact CZ-CD1 3.6Å; F32-Y64 HydrophobicContact CZ-CD1 3.6Å; F32-Y64 AromaticContact CZ-CE1 3.99Å; F32-Y64 HydrophobicContact CZ-CE1 3.99Å; F32-Y64 AromaticContact CZ-CG 3.92Å; F32-Y64 HydrophobicContact CZ-CG 3.92Å; F32-L66 HydrophobicContact CB-CD2 4.03Å; F32-L66 HydrophobicContact CD1-CD2 4.23Å; F32-L66 HydrophobicContact CD2-CD1 3.78Å; F32-L66 HydrophobicContact CD2-CD2 4.49Å; F32-L66 HydrophobicContact CE2-CD1 4.11Å; F32-L66 HydrophobicContact CG-CD1 4.12Å; F32-L66 HydrophobicContact CG-CD2 3.99Å
33F91.1Very high85.1Confident20 Ų2068.9 Ų68.99%0.08840%0.397CS..Hα-helixtrans-69-30.4-179.8-95-91.7000113.7I8 N9 R10 N12 N29 D30 A35 V36 T37 Y64I8-F33 HydrophobicContact CB-CE2 4.35Å; I8-F33 HydrophobicContact CD1-CE2 4.46Å; I8-F33 HydrophobicContact CG2-CE2 3.66Å; I8-F33 HydrophobicContact CG2-CZ 4.12Å; N9-F33 VanDerWaalsContact O-CZ 3.22Å; N9-F33 WeakPolarHBondContact O-CZ 3.34Å; R10-F33 WeakPolarHBondContact O-CE1 3.35Å; N12-F33 VanDerWaalsContact CA-CZ 3.47Å; N12-F33 HydrophobicContact CB-CD1 3.72Å; N12-F33 HydrophobicContact CB-CD2 3.65Å; N12-F33 HydrophobicContact CB-CE1 3.8Å; N12-F33 HydrophobicContact CB-CE2 3.75Å; N12-F33 HydrophobicContact CB-CG 3.66Å; N12-F33 HydrophobicContact CB-CZ 3.83Å; N12-F33 WeakPolarHBondContact OD1-CD2 3.46Å; N12-F33 WeakPolarHBondContact OD1-CE2 3.44Å; N29-F33 WeakPolarHBondContact O-CB 3.42Å; N29-F33 WeakPolarHBondContact O-CD2 3.35Å; N29-F33 PolarHBondContact O-N 2.96Å; D30-F33 PolarHBondContact O-N 3.2Å; F33-A35 PolarHBondContact O-N 3.18Å; F33-V36 HydrophobicContact CD1-CB 4.48Å; F33-V36 PolarHBondContact O-N 3.43Å; F33-T37 WeakPolarHBondContact O-CB 3.5Å; F33-T37 PolarHBondContact O-N 2.96Å; F33-T37 PolarHBondContact O-OG1 3.32Å; F33-Y64 HydrophobicContact CZ-CD2 4.08Å; F33-Y64 HydrophobicContact CZ-CE2 4.2Å
34D90Very high85.3Confident100 Ų10062.6 Ų62.654%0.53536%0.364SS..Hα-helixtrans-59.5-37.2168.3-76.7-16.2000111.4D30 F32 K38D30-D34 PolarHBondContact O-N 3.11Å; F32-D34 VanDerWaalsContact C-N 3.35Å; F32-D34 PolarHBondContact O-N 3.46Å; D34-K38 WeakPolarHBondContact O-CD 3.49Å; D34-K38 VanDerWaalsContact O-CG 3.23Å; D34-K38 WeakPolarHBondContact O-CG 3.42Å; D34-K38 PolarHBondContact O-N 3.26Å
35A88.6Confident85.6Confident12 Ų1263.4 Ų63.410%0.09937%0.37CS..Hα-helixtrans-71.8-46.117300000111.1T31 F32 F33 T37 K38 Y39 L48T31-A35 PolarHBondContact O-N 2.6Å; F32-A35 WeakPolarHBondContact O-CA 3.44Å; F32-A35 WeakPolarHBondContact O-CB 3.37Å; F32-A35 PolarHBondContact O-N 2.86Å; F33-A35 PolarHBondContact O-N 3.18Å; A35-T37 PolarHBondContact O-N 3.45Å; A35-K38 WeakPolarHBondContact O-CB 3.37Å; A35-K38 PolarHBondContact O-N 2.88Å; A35-Y39 WeakPolarHBondContact O-CD2 3.47Å; A35-Y39 PolarHBondContact O-N 3.02Å; A35-L48 HydrophobicContact CB-CD1 3.58Å; A35-L48 HydrophobicContact CB-CD2 4.26Å
36V88.7Confident85.8Confident21 Ų2163 Ų6313%0.12737%0.366CS..Hα-helixtrans-54.3-38.9176.9176.20000111.9F32 F33 K38 V44 Y64F32-V36 HydrophobicContact CD1-CG2 3.98Å; F32-V36 HydrophobicContact CE1-CG2 3.53Å; F32-V36 HydrophobicContact CE2-CG2 4.16Å; F32-V36 HydrophobicContact CG-CG2 4.48Å; F32-V36 HydrophobicContact CZ-CG2 3.62Å; F32-V36 WeakPolarHBondContact O-CG2 3.41Å; F32-V36 PolarHBondContact O-N 3.19Å; F33-V36 HydrophobicContact CD1-CB 4.48Å; F33-V36 PolarHBondContact O-N 3.43Å; V36-K38 VanDerWaalsContact C-N 3.33Å; V36-V44 HydrophobicContact CB-CG2 4.31Å; V36-V44 HydrophobicContact CG1-CG2 4.46Å; V36-V44 HydrophobicContact CG2-CG2 4.08Å; V36-Y64 HydrophobicContact CG1-CE2 4.43Å; V36-Y64 WeakPolarHBondContact CG1-OH 3.42Å
37T87.5Confident86.3Confident115 Ų11559.9 Ų59.971%0.70636%0.356SS*.Hα-helixtrans-72.6-26.1179.7-53.60000112.7F33 A35F33-T37 WeakPolarHBondContact O-CB 3.5Å; F33-T37 PolarHBondContact O-N 2.96Å; F33-T37 PolarHBondContact O-OG1 3.32Å; A35-T37 PolarHBondContact O-N 3.45Å
38K87.2Confident86.5Confident166 Ų16657.5 Ų57.572%0.72234%0.34SS*.Hα-helixtrans-78-32.3177.7-73.9167.4-172.2170.80112.9D34 A35 V36D34-K38 WeakPolarHBondContact O-CD 3.49Å; D34-K38 VanDerWaalsContact O-CG 3.23Å; D34-K38 WeakPolarHBondContact O-CG 3.42Å; D34-K38 PolarHBondContact O-N 3.26Å; A35-K38 WeakPolarHBondContact O-CB 3.37Å; A35-K38 PolarHBondContact O-N 2.88Å; V36-K38 VanDerWaalsContact C-N 3.33Å
39Y83.3Confident86.5Confident111 Ų11163 Ų6344%0.43537%0.365SS..SBendtrans-96.4155.3-179.8-65.2-79000111.1A35 V44 P45A35-Y39 WeakPolarHBondContact O-CD2 3.47Å; A35-Y39 PolarHBondContact O-N 3.02Å; Y39-V44 HydrophobicContact CD2-CG1 4.38Å; Y39-P45 HydrophobicContact CE1-CG 4.11Å; Y39-P45 HydrophobicContact CE2-CG 3.95Å
40A73.8Confident86.4Confident63 Ų6364.1 Ų64.152%0.52137%0.371SS..  trans-64.6153.1168.700000110G42 D43A40-G42 PolarHBondContact O-N 3.43Å; A40-D43 PolarHBondContact O-N 2.81Å
41A66.6Low86.1Confident78 Ų7867.4 Ų67.465%0.64540%0.397SS*.THydrogen-bonded Turntrans-58.6109.1-175.300000111.7
42G67.3Low85.9Confident51 Ų5168.3 Ų68.353%0.52641%0.406SS..THydrogen-bonded Turntrans106.9-12.9-178.800000114.9A40A40-G42 PolarHBondContact O-N 3.43Å
43D82Confident85.8Confident115 Ų11569.3 Ų69.362%0.61541%0.412SS*.  trans-96.812.9-178.5-67.7-27.2000113.1A40 P45A40-D43 PolarHBondContact O-N 2.81Å; D43-P45 WeakPolarHBondContact O-CD 3.43Å
44V88.3Confident85.8Confident12 Ų1269.2 Ų69.27%0.07341%0.413CS..SBendtrans-67.3126.1177.5-1720000108.3F32 V36 Y39 L48F32-V44 HydrophobicContact CE2-CG1 4.42Å; V36-V44 HydrophobicContact CB-CG2 4.31Å; V36-V44 HydrophobicContact CG1-CG2 4.46Å; V36-V44 HydrophobicContact CG2-CG2 4.08Å; Y39-V44 HydrophobicContact CD2-CG1 4.38Å; V44-L48 HydrophobicContact CG1-CD1 4.37Å
45P91.7Very high86.1Confident40 Ų4064.5 Ų64.526%0.2639%0.388SS..  trans-54.5131.6176.1-2633.9000110.8Y39 D43 V47 L48 H57Y39-P45 HydrophobicContact CE1-CG 4.11Å; Y39-P45 HydrophobicContact CE2-CG 3.95Å; D43-P45 WeakPolarHBondContact O-CD 3.43Å; P45-V47 PolarHBondContact O-N 2.83Å; P45-V47 VanDerWaalsContact O-N 3.09Å; P45-L48 HydrophobicContact CB-CD2 4.13Å; P45-L48 HydrophobicContact CG-CD2 4.35Å; P45-H57 PolarHBondContact O-CE1 3Å; P45-H57 PolarHBondContact O-ND1 3.26Å
46P92.8Very high86.4Confident69 Ų6964 Ų6445%0.44838%0.384SS..SBendtrans-62.9-23.2-173.424.4-34.4000112.8I56 H57 I79P46-I56 CarbonylContact O-C 3.54Å; P46-I56 VanDerWaalsContact O-CA 3.3Å; P46-I56 WeakPolarHBondContact O-CA 3.38Å; P46-H57 PolarHBondContact O-N 3.12Å; P46-H57 PolarHBondContact O-ND1 3.36Å; P46-I79 HydrophobicContact CB-CD1 4.27Å
47V94.1Very high86.7Confident43 Ų4363.7 Ų63.726%0.26138%0.381SS..EExtended strand (participates in β ladder)trans-119.1125.9177.3-171.30000109P45 L55 I56 P75P45-V47 PolarHBondContact O-N 2.83Å; P45-V47 VanDerWaalsContact O-N 3.09Å; V47-L55 CarbonylContact C-O 3.09Å; V47-L55 WeakPolarHBondContact CA-O 3.44Å; V47-I56 HydrophobicContact CG1-CG1 4.21Å; V47-I56 HydrophobicContact CG2-CG1 4.25Å; V47-P75 HydrophobicContact CG2-CB 3.7Å; V47-P75 HydrophobicContact CG2-CG 4.12Å
48L92.8Very high87.1Confident28 Ų2858.8 Ų58.815%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-122.8124.3173.9-55.2172.7000109F32 A35 V44 P45 L55F32-L48 HydrophobicContact CD2-CD1 3.73Å; F32-L48 HydrophobicContact CE2-CD1 4.19Å; A35-L48 HydrophobicContact CB-CD1 3.58Å; A35-L48 HydrophobicContact CB-CD2 4.26Å; V44-L48 HydrophobicContact CG1-CD1 4.37Å; P45-L48 HydrophobicContact CB-CD2 4.13Å; P45-L48 HydrophobicContact CG-CD2 4.35Å; L48-L55 HydrophobicContact CB-CB 4.24Å; L48-L55 PolarHBondContact N-O 3.12Å; L48-L55 WeakPolarHBondContact O-CB 3.2Å; L48-L55 PolarHBondContact O-N 2.91Å
49E90.1Very high87.4Confident134 Ų13453 Ų5363%0.62633%0.327SS*.EExtended strand (participates in β ladder)trans-87.6129.3176.6-64.6-57.615200110.6S54E49-S54 PolarHBondContact OE1-OG 3.35Å; E49-S54 WeakPolarHBondContact OE2-CB 3.32Å; E49-S54 PolarHBondContact OE2-OG 2.85Å
50T87.1Confident87.9Confident24 Ų2451.9 Ų51.915%0.14732%0.322CS..  trans-110.5163.7168.873.50000109.3T31 S52 N53 L55T31-T50 HydrophobicContact CG2-CG2 3.98Å; T50-S52 PolarHBondContact O-N 3.36Å; T50-N53 WeakPolarHBondContact CA-O 3.12Å; T50-N53 WeakPolarHBondContact CB-O 3.21Å; T50-N53 PolarHBondContact N-O 3.18Å; T50-N53 PolarHBondContact OG1-N 3.01Å; T50-N53 PolarHBondContact OG1-O 3.06Å; T50-L55 HydrophobicContact CG2-CD1 3.67Å; T50-L55 HydrophobicContact CG2-CG 3.85Å
51P84Confident88.7Confident148 Ų14852.9 Ų52.996%0.96132%0.319SS*.SBendtrans-56.7-24.2-178.1-27.635.8000115.2
52S85.9Confident89.9Confident85 Ų8554 Ų5459%0.59431%0.313SS*.SBendtrans-117.9-22.4-176.159.70000114.7T50T50-S52 PolarHBondContact O-N 3.36Å
53N88.7Confident91.2Very high21 Ų2151.7 Ų51.711%0.11229%0.289CS..  trans-146.7154.8-172.1-52.8-64.1000111.6Q3 T50 V68 C69Q3-N53 PolarHBondContact OE1-OD1 3.01Å; T50-N53 WeakPolarHBondContact CA-O 3.12Å; T50-N53 WeakPolarHBondContact CB-O 3.21Å; T50-N53 PolarHBondContact N-O 3.18Å; T50-N53 PolarHBondContact OG1-N 3.01Å; T50-N53 PolarHBondContact OG1-O 3.06Å; N53-V68 HydrophobicContact CB-CG1 3.78Å; N53-C69 WeakPolarHBondContact CA-O 3.33Å; N53-C69 WeakPolarHBondContact CB-O 3.17Å
54S92.5Very high91.8Very high17 Ų1746.5 Ų46.512%0.11926%0.261CS..EExtended strand (participates in β ladder)trans-96.5130.9167.9-47.10000109.5E49 C69E49-S54 PolarHBondContact OE1-OG 3.35Å; E49-S54 WeakPolarHBondContact OE2-CB 3.32Å; E49-S54 PolarHBondContact OE2-OG 2.85Å; S54-C69 PolarHBondContact N-O 2.9Å; S54-C69 PolarHBondContact O-N 3.47Å
55L94.9Very high92.2Very high1 Ų146 Ų461%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-103.7123.8178.3-53.6-176.9000109.1V28 F32 V47 L48 T50 L66 A67 V68V28-L55 HydrophobicContact CG1-CD1 3.86Å; V28-L55 HydrophobicContact CG1-CD2 3.33Å; V28-L55 HydrophobicContact CG1-CG 4.25Å; F32-L55 HydrophobicContact CB-CD1 4.39Å; V47-L55 CarbonylContact C-O 3.09Å; V47-L55 WeakPolarHBondContact CA-O 3.44Å; L48-L55 HydrophobicContact CB-CB 4.24Å; L48-L55 PolarHBondContact N-O 3.12Å; L48-L55 WeakPolarHBondContact O-CB 3.2Å; L48-L55 PolarHBondContact O-N 2.91Å; T50-L55 HydrophobicContact CG2-CD1 3.67Å; T50-L55 HydrophobicContact CG2-CG 3.85Å; L55-L66 HydrophobicContact CB-CD1 4.04Å; L55-A67 WeakPolarHBondContact CA-O 3.32Å; L55-V68 HydrophobicContact CD2-CB 4.34Å; L55-V68 HydrophobicContact CD2-CG1 4.08Å; L55-V68 HydrophobicContact CD2-CG2 3.89Å
56I95.7Very high92.4Very high3 Ų344 Ų442%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-123.3130.9-179.7-58172000108P46 V47 A67 P75 V78 I79P46-I56 CarbonylContact O-C 3.54Å; P46-I56 VanDerWaalsContact O-CA 3.3Å; P46-I56 WeakPolarHBondContact O-CA 3.38Å; V47-I56 HydrophobicContact CG1-CG1 4.21Å; V47-I56 HydrophobicContact CG2-CG1 4.25Å; I56-A67 PolarHBondContact N-O 3.34Å; I56-A67 PolarHBondContact O-N 2.76Å; I56-P75 HydrophobicContact CD1-CB 4.2Å; I56-V78 HydrophobicContact CB-CB 4.37Å; I56-V78 HydrophobicContact CB-CG1 3.85Å; I56-V78 HydrophobicContact CD1-CB 3.75Å; I56-V78 HydrophobicContact CD1-CG1 3.97Å; I56-V78 HydrophobicContact CD1-CG2 3.81Å; I56-V78 HydrophobicContact CG1-CG1 4.49Å; I56-V78 HydrophobicContact CG2-CB 4.09Å; I56-V78 HydrophobicContact CG2-CG1 3.87Å; I56-I79 HydrophobicContact CG2-CD1 4.43Å; I56-I79 HydrophobicContact CG2-CG1 3.7Å
57H95.3Very high92.5Very high14 Ų1440.8 Ų40.87%0.06522%0.224CC..EExtended strand (participates in β ladder)trans-139.3157.5-173.584.1-75.5000114.3F32 P45 P46 Y64 F65 L66F32-H57 HydrophobicContact CE2-CB 3.91Å; F32-H57 AromaticContact CE2-CD2 3.79Å; F32-H57 AromaticContact CE2-CE1 3.99Å; F32-H57 AromaticContact CE2-CG 3.49Å; F32-H57 VanDerWaalsContact CE2-CG 3.49Å; F32-H57 AromaticContact CE2-ND1 3.65Å; F32-H57 HydrophobicContact CZ-CB 4.15Å; F32-H57 AromaticContact CZ-CD2 3.63Å; F32-H57 AromaticContact CZ-CG 3.76Å; P45-H57 PolarHBondContact O-CE1 3Å; P45-H57 PolarHBondContact O-ND1 3.26Å; P46-H57 PolarHBondContact O-N 3.12Å; P46-H57 PolarHBondContact O-ND1 3.36Å; H57-Y64 AromaticContact CD2-CD1 3.8Å; H57-F65 CarbonylContact C-O 3.58Å; H57-F65 WeakPolarHBondContact CA-O 3.42Å; H57-F65 WeakPolarHBondContact CB-O 3.19Å; H57-L66 HydrophobicContact CB-CD1 3.84Å
58I95.4Very high92.6Very high12 Ų1238.7 Ų38.76%0.06221%0.212CC..EExtended strand (participates in β ladder)trans-131.8155.7165.863.9170.6000110R60 Y64 F65 I79 L82 D83I58-R60 HydrophobicContact CD1-CG 3.89Å; I58-R60 HydrophobicContact CG1-CG 4.37Å; I58-Y64 WeakPolarHBondContact O-CA 3.21Å; I58-F65 HydrophobicContact CD1-CB 4.35Å; I58-F65 HydrophobicContact CG1-CB 3.73Å; I58-F65 HydrophobicContact CG1-CD2 4.39Å; I58-F65 HydrophobicContact CG1-CG 4.32Å; I58-F65 PolarHBondContact N-O 2.71Å; I58-F65 PolarHBondContact O-N 2.93Å; I58-I79 HydrophobicContact CG2-CG2 3.91Å; I58-L82 VanDerWaalsContact CD1-C 3.45Å; I58-L82 HydrophobicContact CD1-CB 3.59Å; I58-L82 HydrophobicContact CG1-CB 3.82Å; I58-L82 HydrophobicContact CG1-CD1 4.38Å; I58-L82 HydrophobicContact CG2-CB 4.44Å; I58-L82 HydrophobicContact CG2-CD1 4.48Å; I58-D83 HydrophobicContact CD1-CB 4.3Å; I58-D83 WeakPolarHBondContact CD1-OD1 3.2Å
59L93.9Very high92.6Very high43 Ų4337.4 Ų37.423%0.22521%0.205CC..EExtended strand (participates in β ladder)trans-112118.4173.6179.361.8000109.7L63 Y64L59-L63 WeakPolarHBondContact CA-O 3.5Å; L59-Y64 HydrophobicContact CB-CD1 4.27Å; L59-Y64 HydrophobicContact CB-CE1 4.19Å; L59-Y64 HydrophobicContact CD1-CD1 3.96Å; L59-Y64 HydrophobicContact CD1-CE1 3.85Å; L59-Y64 HydrophobicContact CD1-CE2 4.42Å; L59-Y64 HydrophobicContact CD1-CG 4.32Å; L59-Y64 HydrophobicContact CD2-CE1 4.33Å; L59-Y64 HydrophobicContact CG-CE1 4.34Å
60R93.6Very high92.4Very high89 Ų8932.6 Ų32.634%0.33619%0.188SC..EExtended strand (participates in β ladder)trans-136.9132.2177.9-61.6-67.6176.4-96.30109.6I58 N62 L63 F65 D83 H86I58-R60 HydrophobicContact CD1-CG 3.89Å; I58-R60 HydrophobicContact CG1-CG 4.37Å; R60-N62 PolarHBondContact O-N 2.87Å; R60-N62 VanDerWaalsContact O-N 3.1Å; R60-L63 PolarHBondContact N-O 3.17Å; R60-L63 WeakPolarHBondContact O-CA 3.17Å; R60-L63 WeakPolarHBondContact O-CB 3.46Å; R60-L63 PolarHBondContact O-N 2.9Å; R60-F65 HydrophobicContact CB-CD2 4.43Å; R60-F65 HydrophobicContact CB-CE2 4.1Å; R60-D83 IonicContact CZ-OD1 2.64Å; R60-D83 IonicContact CZ-OD2 3.26Å; R60-D83 IonicContact NE-OD1 3.15Å; R60-D83 PolarHBondContact NE-OD1 2.9Å; R60-D83 IonicContact NH2-OD1 3.3Å; R60-D83 PolarHBondContact NH2-OD1 3.47Å; R60-D83 IonicContact NH2-OD2 2.67Å; R60-D83 PolarHBondContact NH2-OD2 3.45Å; R60-H86 VanDerWaalsContact CB-CD2 3.45Å; R60-H86 WeakPolarHBondContact CB-CD2 3.44Å; R60-H86 HydrophobicContact CG-CB 4.32Å
61N90.2Very high92.3Very high84 Ų8435.9 Ų35.945%0.44921%0.205SC..THydrogen-bonded Turntrans4839.9179.6-58.9-19.7000114.6L63 H86 E90 A96N61-L63 PolarHBondContact O-N 3.23Å; N61-H86 PolarHBondContact ND2-NE2 3.38Å; N61-E90 PolarHBondContact ND2-OE1 3Å; N61-A96 WeakPolarHBondContact CB-O 3.46Å; N61-A96 PolarHBondContact ND2-O 3.49Å
62N90.8Very high92.3Very high100 Ų10037.8 Ų37.854%0.53520%0.2SC..THydrogen-bonded Turntrans64.218.3-175-58.9-43.4000116.1R10 R60R10-N62 PolarHBondContact NE-OD1 3.19Å; R10-N62 PolarHBondContact NH2-OD1 3.18Å; R10-N62 VanDerWaalsContact NH2-OD1 3.17Å; R60-N62 PolarHBondContact O-N 2.87Å; R60-N62 VanDerWaalsContact O-N 3.1Å
63L94.6Very high92.4Very high4 Ų435.2 Ų35.22%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-114.1135172.9-61.8174000110.6I7 I8 N9 L59 R60 N61 F65 E98 I101I7-L63 HydrophobicContact CG2-CB 4.15Å; I7-L63 HydrophobicContact CG2-CD1 4.17Å; I8-L63 WeakPolarHBondContact O-CA 3.23Å; N9-L63 HydrophobicContact CB-CD2 4.01Å; L59-L63 WeakPolarHBondContact CA-O 3.5Å; R60-L63 PolarHBondContact N-O 3.17Å; R60-L63 WeakPolarHBondContact O-CA 3.17Å; R60-L63 WeakPolarHBondContact O-CB 3.46Å; R60-L63 PolarHBondContact O-N 2.9Å; N61-L63 PolarHBondContact O-N 3.23Å; L63-F65 HydrophobicContact CB-CE2 4.06Å; L63-E98 HydrophobicContact CD2-CB 4.3Å; L63-I101 HydrophobicContact CD1-CD1 3.55Å
64Y94.9Very high92.6Very high6 Ų638.2 Ų38.22%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-85.6121.5169.3-67.2-72.1000109.3I7 I8 R10 F32 F33 V36 H57 I58 L59I7-Y64 CarbonylContact C-O 3.58Å; I7-Y64 VanDerWaalsContact CA-O 3.32Å; I7-Y64 WeakPolarHBondContact CA-O 3.38Å; I8-Y64 PolarHBondContact N-O 3.45Å; I8-Y64 PolarHBondContact O-N 3.25Å; R10-Y64 HydrophobicContact CG-CE2 4.26Å; F32-Y64 AromaticContact CE1-CD1 3.88Å; F32-Y64 HydrophobicContact CE1-CD1 3.88Å; F32-Y64 HydrophobicContact CE1-CD2 4.05Å; F32-Y64 HydrophobicContact CE1-CE1 4.35Å; F32-Y64 AromaticContact CE1-CG 3.7Å; F32-Y64 HydrophobicContact CE1-CG 3.7Å; F32-Y64 AromaticContact CZ-CD1 3.6Å; F32-Y64 HydrophobicContact CZ-CD1 3.6Å; F32-Y64 AromaticContact CZ-CE1 3.99Å; F32-Y64 HydrophobicContact CZ-CE1 3.99Å; F32-Y64 AromaticContact CZ-CG 3.92Å; F32-Y64 HydrophobicContact CZ-CG 3.92Å; F33-Y64 HydrophobicContact CZ-CD2 4.08Å; F33-Y64 HydrophobicContact CZ-CE2 4.2Å; V36-Y64 HydrophobicContact CG1-CE2 4.43Å; V36-Y64 WeakPolarHBondContact CG1-OH 3.42Å; H57-Y64 AromaticContact CD2-CD1 3.8Å; I58-Y64 WeakPolarHBondContact O-CA 3.21Å; L59-Y64 HydrophobicContact CB-CD1 4.27Å; L59-Y64 HydrophobicContact CB-CE1 4.19Å; L59-Y64 HydrophobicContact CD1-CD1 3.96Å; L59-Y64 HydrophobicContact CD1-CE1 3.85Å; L59-Y64 HydrophobicContact CD1-CE2 4.42Å; L59-Y64 HydrophobicContact CD1-CG 4.32Å; L59-Y64 HydrophobicContact CD2-CE1 4.33Å; L59-Y64 HydrophobicContact CG-CE1 4.34Å
65F96.8Very high92.6Very high0 Ų040.2 Ų40.20%021%0.213CC..EExtended strand (participates in β ladder)trans-97.3112.3166.5-68.1-109.3000106.6I7 H57 I58 R60 L63 L82 V85 H86 I89I7-F65 HydrophobicContact CD1-CD1 3.97Å; I7-F65 HydrophobicContact CD1-CE1 3.57Å; I7-F65 HydrophobicContact CD1-CZ 4.27Å; I7-F65 HydrophobicContact CG1-CD1 3.88Å; I7-F65 HydrophobicContact CG1-CE1 3.96Å; I7-F65 HydrophobicContact CG2-CE1 4.45Å; I7-F65 HydrophobicContact CG2-CE2 4.48Å; I7-F65 HydrophobicContact CG2-CZ 4.34Å; H57-F65 CarbonylContact C-O 3.58Å; H57-F65 WeakPolarHBondContact CA-O 3.42Å; H57-F65 WeakPolarHBondContact CB-O 3.19Å; I58-F65 HydrophobicContact CD1-CB 4.35Å; I58-F65 HydrophobicContact CG1-CB 3.73Å; I58-F65 HydrophobicContact CG1-CD2 4.39Å; I58-F65 HydrophobicContact CG1-CG 4.32Å; I58-F65 PolarHBondContact N-O 2.71Å; I58-F65 PolarHBondContact O-N 2.93Å; R60-F65 HydrophobicContact CB-CD2 4.43Å; R60-F65 HydrophobicContact CB-CE2 4.1Å; L63-F65 HydrophobicContact CB-CE2 4.06Å; F65-L82 HydrophobicContact CB-CB 4.41Å; F65-L82 HydrophobicContact CB-CD2 4.21Å; F65-V85 HydrophobicContact CD1-CG1 4.31Å; F65-V85 HydrophobicContact CE1-CG1 4.15Å; F65-H86 HydrophobicContact CE1-CB 4.08Å; F65-H86 HydrophobicContact CE2-CB 4.18Å; F65-H86 AromaticContact CE2-CD2 3.86Å; F65-H86 HydrophobicContact CZ-CB 3.84Å; F65-H86 AromaticContact CZ-CD2 3.78Å; F65-I89 HydrophobicContact CE1-CD1 4.08Å
66L96.1Very high92.5Very high0 Ų046.9 Ų46.90%025%0.248CC..EExtended strand (participates in β ladder)trans-117.4112.6-171178.368.6000109.9L5 F6 I8 F32 L55 H57L5-L66 CarbonylContact C-O 3.58Å; L5-L66 WeakPolarHBondContact CA-O 3.45Å; F6-L66 HydrophobicContact CB-CB 4.29Å; F6-L66 PolarHBondContact N-O 2.89Å; F6-L66 PolarHBondContact O-N 2.77Å; I8-L66 HydrophobicContact CD1-CB 4.46Å; I8-L66 HydrophobicContact CD1-CD2 3.92Å; F32-L66 HydrophobicContact CB-CD2 4.03Å; F32-L66 HydrophobicContact CD1-CD2 4.23Å; F32-L66 HydrophobicContact CD2-CD1 3.78Å; F32-L66 HydrophobicContact CD2-CD2 4.49Å; F32-L66 HydrophobicContact CE2-CD1 4.11Å; F32-L66 HydrophobicContact CG-CD1 4.12Å; F32-L66 HydrophobicContact CG-CD2 3.99Å; L55-L66 HydrophobicContact CB-CD1 4.04Å; H57-L66 HydrophobicContact CB-CD1 3.84Å
67A95.7Very high92.3Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-91.7135171.200000111L2 S4 L55 I56 V78 L82L2-A67 HydrophobicContact CD1-CB 3.98Å; L2-A67 HydrophobicContact CG-CB 4.26Å; S4-A67 WeakPolarHBondContact O-CA 3.35Å; L55-A67 WeakPolarHBondContact CA-O 3.32Å; I56-A67 PolarHBondContact N-O 3.34Å; I56-A67 PolarHBondContact O-N 2.76Å; A67-V78 HydrophobicContact CB-CG1 3.47Å; A67-V78 VanDerWaalsContact CB-CG1 3.47Å; A67-L82 HydrophobicContact CB-CD1 4.14Å; A67-L82 HydrophobicContact CB-CD2 4.09Å; A67-L82 HydrophobicContact CB-CG 4.42Å
68V94.7Very high92.2Very high0 Ų050.5 Ų50.50%027%0.268CS..EExtended strand (participates in β ladder)trans-104.2121.4171.1-173.70000109.1Q3 S4 F6 I24 V28 N53 L55Q3-V68 PolarHBondContact N-O 2.95Å; S4-V68 PolarHBondContact N-O 3.35Å; S4-V68 PolarHBondContact O-N 3.31Å; F6-V68 HydrophobicContact CD2-CG2 4.02Å; F6-V68 HydrophobicContact CE2-CG2 3.68Å; I24-V68 HydrophobicContact CD1-CG1 4.38Å; I24-V68 HydrophobicContact CG1-CG1 4.22Å; I24-V68 HydrophobicContact CG2-CG1 4.24Å; I24-V68 HydrophobicContact CG2-CG2 4.37Å; V28-V68 HydrophobicContact CG1-CG2 3.89Å; N53-V68 HydrophobicContact CB-CG1 3.78Å; L55-V68 HydrophobicContact CD2-CB 4.34Å; L55-V68 HydrophobicContact CD2-CG1 4.08Å; L55-V68 HydrophobicContact CD2-CG2 3.89Å
69C92.9Very high92.2Very high1 Ų151.7 Ų51.71%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-112.1127.8-177.9-600000110.8M1 N53 S54 L73M1-C69 WeakPolarHBondContact O-CA 3.3Å; N53-C69 WeakPolarHBondContact CA-O 3.33Å; N53-C69 WeakPolarHBondContact CB-O 3.17Å; S54-C69 PolarHBondContact N-O 2.9Å; S54-C69 PolarHBondContact O-N 3.47Å; C69-L73 HydrophobicContact CB-CD1 4.49Å
70A86.6Confident92.1Very high32 Ų3255.6 Ų55.626%0.26429%0.291SS..SBendtrans-75.6-34.1178.500000113.4M1 Q3M1-A70 HydrophobicContact CG-CB 4.28Å; M1-A70 PolarHBondContact O-N 3.09Å; Q3-A70 HydrophobicContact CG-CB 3.68Å; Q3-A70 VanDerWaalsContact NE2-CB 3.25Å
71N85.1Confident92.1Very high94 Ų9451.7 Ų51.750%0.50328%0.276SS..SBendtrans-127.4156.7-174.3-54-12.4000107L73N71-L73 PolarHBondContact O-N 3.2Å; N71-L73 VanDerWaalsContact O-N 3.09Å
72E83.3Confident92.4Very high187 Ų18747.7 Ų47.787%0.87426%0.255SS*.  trans-53.1117.2171.4-165.1173.3-178.100110.1
73L88.4Confident92.6Very high32 Ų3244.5 Ų44.517%0.16824%0.238CC..  trans-118.2148.4171.8-75.3-178.9000107.7C69 N71 P75 V78C69-L73 HydrophobicContact CB-CD1 4.49Å; N71-L73 PolarHBondContact O-N 3.2Å; N71-L73 VanDerWaalsContact O-N 3.09Å; L73-P75 WeakPolarHBondContact O-CD 3.28Å; L73-V78 HydrophobicContact CB-CG2 4.02Å; L73-V78 HydrophobicContact CD1-CG2 3.94Å
74P92Very high92.5Very high83 Ų8345.2 Ų45.254%0.53924%0.243SC..  trans-54.9116.4170.8-22.933.5000109.4L76 L77P74-L76 PolarHBondContact O-N 2.75Å; P74-L77 HydrophobicContact CB-CB 4.23Å; P74-L77 WeakPolarHBondContact O-CB 3.41Å; P74-L77 PolarHBondContact O-N 2.53Å
75P93.1Very high92.5Very high59 Ų5945 Ų4538%0.38324%0.243SC..Hα-helixtrans-61.3-34.4-170.9-28.636.8000113.4V47 I56 L73 L77 V78 I79V47-P75 HydrophobicContact CG2-CB 3.7Å; V47-P75 HydrophobicContact CG2-CG 4.12Å; I56-P75 HydrophobicContact CD1-CB 4.2Å; L73-P75 WeakPolarHBondContact O-CD 3.28Å; P75-L77 VanDerWaalsContact C-N 3.29Å; P75-L77 PolarHBondContact O-N 3.28Å; P75-V78 PolarHBondContact O-N 3.39Å; P75-V78 VanDerWaalsContact O-N 3.12Å; P75-I79 WeakPolarHBondContact O-CG1 3.39Å; P75-I79 PolarHBondContact O-N 3.1Å
76L92.3Very high92.4Very high142 Ų14245.6 Ų45.674%0.74325%0.245SC*.Hα-helixtrans-62.3-33.3176.9-66.7176.5000113.1P74 V78 I79 E80P74-L76 PolarHBondContact O-N 2.75Å; L76-V78 VanDerWaalsContact C-N 3.31Å; L76-I79 HydrophobicContact CD2-CD1 4.5Å; L76-E80 WeakPolarHBondContact O-CB 3.39Å; L76-E80 PolarHBondContact O-N 2.97Å
77L91.4Very high92.2Very high88 Ų8848.6 Ų48.646%0.46127%0.266SS..Hα-helixtrans-64.2-41175175.265.5000110.8P74 P75 F81P74-L77 HydrophobicContact CB-CB 4.23Å; P74-L77 WeakPolarHBondContact O-CB 3.41Å; P74-L77 PolarHBondContact O-N 2.53Å; P75-L77 VanDerWaalsContact C-N 3.29Å; P75-L77 PolarHBondContact O-N 3.28Å; L77-F81 WeakPolarHBondContact O-CB 3.4Å; L77-F81 PolarHBondContact O-N 3.3Å
78V94.4Very high92.1Very high5 Ų548.8 Ų48.83%0.0327%0.267CS..Hα-helixtrans-72.3-42.3-179.7-1780000110.5L2 I56 A67 L73 P75 L76 E80 F81 L82L2-V78 HydrophobicContact CD1-CG1 4.39Å; I56-V78 HydrophobicContact CB-CB 4.37Å; I56-V78 HydrophobicContact CB-CG1 3.85Å; I56-V78 HydrophobicContact CD1-CB 3.75Å; I56-V78 HydrophobicContact CD1-CG1 3.97Å; I56-V78 HydrophobicContact CD1-CG2 3.81Å; I56-V78 HydrophobicContact CG1-CG1 4.49Å; I56-V78 HydrophobicContact CG2-CB 4.09Å; I56-V78 HydrophobicContact CG2-CG1 3.87Å; A67-V78 HydrophobicContact CB-CG1 3.47Å; A67-V78 VanDerWaalsContact CB-CG1 3.47Å; L73-V78 HydrophobicContact CB-CG2 4.02Å; L73-V78 HydrophobicContact CD1-CG2 3.94Å; P75-V78 PolarHBondContact O-N 3.39Å; P75-V78 VanDerWaalsContact O-N 3.12Å; L76-V78 VanDerWaalsContact C-N 3.31Å; V78-E80 PolarHBondContact O-N 3.06Å; V78-F81 PolarHBondContact O-N 3.38Å; V78-L82 HydrophobicContact CG1-CD1 4.36Å; V78-L82 HydrophobicContact CG1-CG 4.44Å; V78-L82 VanDerWaalsContact O-CG 3.28Å; V78-L82 WeakPolarHBondContact O-CG 3.36Å; V78-L82 PolarHBondContact O-N 3.41Å
79I94.9Very high92.1Very high36 Ų3648.9 Ų48.919%0.18527%0.267CS..Hα-helixtrans-58.4-48.8175.4-69.2166.9000110.7P46 I56 I58 P75 L76 F81 L82 D83P46-I79 HydrophobicContact CB-CD1 4.27Å; I56-I79 HydrophobicContact CG2-CD1 4.43Å; I56-I79 HydrophobicContact CG2-CG1 3.7Å; I58-I79 HydrophobicContact CG2-CG2 3.91Å; P75-I79 WeakPolarHBondContact O-CG1 3.39Å; P75-I79 PolarHBondContact O-N 3.1Å; L76-I79 HydrophobicContact CD2-CD1 4.5Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 3.07Å; I79-L82 PolarHBondContact O-N 2.81Å; I79-D83 PolarHBondContact O-N 3.19Å
80E92Very high92.1Very high126 Ų12652.1 Ų52.159%0.58928%0.282SS*.Hα-helixtrans-59.7-41.9177-178.662.4-159.600111.7L76 V78 D83 C84L76-E80 WeakPolarHBondContact O-CB 3.39Å; L76-E80 PolarHBondContact O-N 2.97Å; V78-E80 PolarHBondContact O-N 3.06Å; E80-D83 PolarHBondContact O-N 3.42Å; E80-C84 WeakPolarHBondContact O-CB 3.28Å; E80-C84 PolarHBondContact O-N 3.46Å
81F94.2Very high92.2Very high6 Ų654 Ų543%0.02629%0.288CS..Hα-helixtrans-62.8-42.8176.2175.6-104.4000112.3L2 L77 V78 I79 D83 C84 V85 M115 L116 P121L2-F81 HydrophobicContact CD1-CD1 3.68Å; L2-F81 HydrophobicContact CD1-CE1 3.79Å; L77-F81 WeakPolarHBondContact O-CB 3.4Å; L77-F81 PolarHBondContact O-N 3.3Å; V78-F81 PolarHBondContact O-N 3.38Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 3.07Å; F81-D83 VanDerWaalsContact C-N 3.34Å; F81-D83 PolarHBondContact O-N 3.28Å; F81-C84 WeakPolarHBondContact O-CB 3.37Å; F81-C84 PolarHBondContact O-N 3.26Å; F81-V85 HydrophobicContact CD1-CG2 4.34Å; F81-V85 HydrophobicContact CE1-CG2 3.81Å; F81-V85 HydrophobicContact CE2-CG2 4.12Å; F81-V85 HydrophobicContact CZ-CG2 3.69Å; F81-V85 WeakPolarHBondContact O-CG2 3.3Å; F81-V85 PolarHBondContact O-N 3.21Å; F81-M115 HydrophobicContact CE2-CB 4.22Å; F81-M115 HydrophobicContact CE2-CE 4.09Å; F81-L116 HydrophobicContact CD1-CD1 4.35Å; F81-L116 HydrophobicContact CD2-CD1 4.39Å; F81-L116 HydrophobicContact CE1-CD1 3.78Å; F81-L116 HydrophobicContact CE2-CB 4.39Å; F81-L116 HydrophobicContact CE2-CD1 3.81Å; F81-L116 HydrophobicContact CZ-CB 3.98Å; F81-L116 HydrophobicContact CZ-CD1 3.48Å; F81-L116 VanDerWaalsContact CZ-CD1 3.48Å; F81-L116 HydrophobicContact CZ-CG 4.31Å; F81-P121 HydrophobicContact CB-CG 4.24Å; F81-P121 HydrophobicContact CD2-CB 3.86Å; F81-P121 HydrophobicContact CD2-CG 3.63Å; F81-P121 HydrophobicContact CE2-CB 4.25Å; F81-P121 HydrophobicContact CE2-CG 4.25Å; F81-P121 HydrophobicContact CG-CG 4.03Å
82L96.3Very high92.5Very high0 Ų049.7 Ų49.70%027%0.265CS..Hα-helixtrans-63.8-40.7177.2-66.9176.9000111.8L5 I58 F65 A67 V78 I79 C84 V85 H86L5-L82 HydrophobicContact CD1-CD2 3.37Å; I58-L82 VanDerWaalsContact CD1-C 3.45Å; I58-L82 HydrophobicContact CD1-CB 3.59Å; I58-L82 HydrophobicContact CG1-CB 3.82Å; I58-L82 HydrophobicContact CG1-CD1 4.38Å; I58-L82 HydrophobicContact CG2-CB 4.44Å; I58-L82 HydrophobicContact CG2-CD1 4.48Å; F65-L82 HydrophobicContact CB-CB 4.41Å; F65-L82 HydrophobicContact CB-CD2 4.21Å; A67-L82 HydrophobicContact CB-CD1 4.14Å; A67-L82 HydrophobicContact CB-CD2 4.09Å; A67-L82 HydrophobicContact CB-CG 4.42Å; V78-L82 HydrophobicContact CG1-CD1 4.36Å; V78-L82 HydrophobicContact CG1-CG 4.44Å; V78-L82 VanDerWaalsContact O-CG 3.28Å; V78-L82 WeakPolarHBondContact O-CG 3.36Å; V78-L82 PolarHBondContact O-N 3.41Å; I79-L82 PolarHBondContact O-N 2.81Å; L82-C84 VanDerWaalsContact C-N 3.32Å; L82-V85 PolarHBondContact O-N 3.48Å; L82-H86 PolarHBondContact O-N 3.22Å
83D93.9Very high92.9Very high34 Ų3442.2 Ų42.218%0.18223%0.23CC..Hα-helixtrans-64.4-38.3174.6-92.7-43.9000111.8I58 R60 I79 E80 F81 H86 S87I58-D83 HydrophobicContact CD1-CB 4.3Å; I58-D83 WeakPolarHBondContact CD1-OD1 3.2Å; R60-D83 IonicContact CZ-OD1 2.64Å; R60-D83 IonicContact CZ-OD2 3.26Å; R60-D83 IonicContact NE-OD1 3.15Å; R60-D83 PolarHBondContact NE-OD1 2.9Å; R60-D83 IonicContact NH2-OD1 3.3Å; R60-D83 PolarHBondContact NH2-OD1 3.47Å; R60-D83 IonicContact NH2-OD2 2.67Å; R60-D83 PolarHBondContact NH2-OD2 3.45Å; I79-D83 PolarHBondContact O-N 3.19Å; E80-D83 PolarHBondContact O-N 3.42Å; F81-D83 VanDerWaalsContact C-N 3.34Å; F81-D83 PolarHBondContact O-N 3.28Å; D83-H86 PolarHBondContact O-N 3.48Å; D83-S87 WeakPolarHBondContact O-CB 3.3Å; D83-S87 PolarHBondContact O-N 2.97Å; D83-S87 PolarHBondContact O-OG 2.79Å
84C92.6Very high92.9Very high19 Ų1944.1 Ų44.113%0.12826%0.256CS..Hα-helixtrans-62-45.9172.5-179.80000111.6E80 F81 L82 H86 S87 I88 M115 T124E80-C84 WeakPolarHBondContact O-CB 3.28Å; E80-C84 PolarHBondContact O-N 3.46Å; F81-C84 WeakPolarHBondContact O-CB 3.37Å; F81-C84 PolarHBondContact O-N 3.26Å; L82-C84 VanDerWaalsContact C-N 3.32Å; C84-H86 PolarHBondContact O-N 3.02Å; C84-S87 PolarHBondContact O-N 2.98Å; C84-I88 WeakPolarHBondContact O-CB 3Å; C84-I88 VanDerWaalsContact O-CG1 3.3Å; C84-I88 WeakPolarHBondContact O-CG1 3.33Å; C84-I88 PolarHBondContact O-N 2.81Å; C84-M115 HydrophobicContact CB-CE 4.4Å; C84-M115 VanDerWaalsContact SG-CE 3.58Å; C84-T124 VanDerWaalsContact SG-CB 3.58Å; C84-T124 PolarHBondContact SG-O 2.92Å
85V95.4Very high92.8Very high2 Ų242.3 Ų42.31%0.01225%0.246CC..Hα-helixtrans-58.2-48176.2170.70000111.1L5 F65 F81 L82 S87 I88 I89 L112 M115L5-V85 HydrophobicContact CD2-CG1 4.13Å; F65-V85 HydrophobicContact CD1-CG1 4.31Å; F65-V85 HydrophobicContact CE1-CG1 4.15Å; F81-V85 HydrophobicContact CD1-CG2 4.34Å; F81-V85 HydrophobicContact CE1-CG2 3.81Å; F81-V85 HydrophobicContact CE2-CG2 4.12Å; F81-V85 HydrophobicContact CZ-CG2 3.69Å; F81-V85 WeakPolarHBondContact O-CG2 3.3Å; F81-V85 PolarHBondContact O-N 3.21Å; L82-V85 PolarHBondContact O-N 3.48Å; V85-S87 VanDerWaalsContact C-N 3.34Å; V85-S87 PolarHBondContact O-N 3.04Å; V85-I88 PolarHBondContact O-N 3.15Å; V85-I89 HydrophobicContact CG1-CD1 3.91Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.36Å; V85-I89 PolarHBondContact O-N 3.2Å; V85-L112 HydrophobicContact CG1-CD2 3.9Å; V85-L112 HydrophobicContact CG2-CD2 3.84Å; V85-M115 HydrophobicContact CB-CE 4.38Å; V85-M115 HydrophobicContact CG2-CE 3.63Å; V85-M115 HydrophobicContact CG2-SD 4.19Å
86H95.6Very high92.8Very high12 Ų1239.5 Ų39.56%0.05623%0.228CC..Hα-helixtrans-57.9-47176.5169.8-96.1000111.5R60 N61 F65 L82 D83 C84 I88 I89 E90 A96R60-H86 VanDerWaalsContact CB-CD2 3.45Å; R60-H86 WeakPolarHBondContact CB-CD2 3.44Å; R60-H86 HydrophobicContact CG-CB 4.32Å; N61-H86 PolarHBondContact ND2-NE2 3.38Å; F65-H86 HydrophobicContact CE1-CB 4.08Å; F65-H86 HydrophobicContact CE2-CB 4.18Å; F65-H86 AromaticContact CE2-CD2 3.86Å; F65-H86 HydrophobicContact CZ-CB 3.84Å; F65-H86 AromaticContact CZ-CD2 3.78Å; L82-H86 PolarHBondContact O-N 3.22Å; D83-H86 PolarHBondContact O-N 3.48Å; C84-H86 PolarHBondContact O-N 3.02Å; H86-I88 PolarHBondContact O-N 3.47Å; H86-I89 PolarHBondContact O-N 2.78Å; H86-E90 IonicContact CE1-OE1 3.11Å; H86-E90 PolarHBondContact CE1-OE1 3.2Å; H86-E90 VanDerWaalsContact CE1-OE1 3.22Å; H86-E90 IonicContact CE1-OE2 2.85Å; H86-E90 PolarHBondContact CE1-OE2 2.81Å; H86-E90 IonicContact NE2-OE1 3.5Å; H86-E90 PolarHBondContact NE2-OE1 2.91Å; H86-E90 VanDerWaalsContact NE2-OE1 3.15Å; H86-E90 PolarHBondContact O-N 2.84Å; H86-A96 VanDerWaalsContact CD2-CB 3.5Å; H86-A96 WeakPolarHBondContact CD2-CB 3.38Å
87S92.3Very high92.9Very high63 Ų6335.4 Ų35.444%0.44121%0.209SC..Hα-helixtrans-62.8-40.2179.6-59.40000112.8D83 C84 V85 E90 D91D83-S87 WeakPolarHBondContact O-CB 3.3Å; D83-S87 PolarHBondContact O-N 2.97Å; D83-S87 PolarHBondContact O-OG 2.79Å; C84-S87 PolarHBondContact O-N 2.98Å; V85-S87 VanDerWaalsContact C-N 3.34Å; V85-S87 PolarHBondContact O-N 3.04Å; S87-E90 PolarHBondContact O-N 3.29Å; S87-D91 WeakPolarHBondContact O-CB 3.21Å; S87-D91 PolarHBondContact O-N 3.18Å
88I92.7Very high93.1Very high3 Ų334 Ų342%0.01520%0.2CC..Hα-helixtrans-66.3-41.1176.8-70.4-64.8000111.1C84 V85 H86 E90 D91 Y92 I111 M115 P126 L129C84-I88 WeakPolarHBondContact O-CB 3Å; C84-I88 VanDerWaalsContact O-CG1 3.3Å; C84-I88 WeakPolarHBondContact O-CG1 3.33Å; C84-I88 PolarHBondContact O-N 2.81Å; V85-I88 PolarHBondContact O-N 3.15Å; H86-I88 PolarHBondContact O-N 3.47Å; I88-E90 VanDerWaalsContact C-N 3.33Å; I88-E90 PolarHBondContact O-N 3.34Å; I88-D91 PolarHBondContact O-N 2.93Å; I88-Y92 HydrophobicContact CG2-CD2 3.87Å; I88-Y92 HydrophobicContact CG2-CE2 3.91Å; I88-Y92 VanDerWaalsContact O-CD2 3.32Å; I88-Y92 WeakPolarHBondContact O-CD2 3.12Å; I88-Y92 PolarHBondContact O-N 2.91Å; I88-I111 HydrophobicContact CG2-CG2 3.56Å; I88-M115 HydrophobicContact CB-SD 4.32Å; I88-M115 HydrophobicContact CG1-CE 4.1Å; I88-M115 HydrophobicContact CG1-SD 4.24Å; I88-M115 HydrophobicContact CG2-SD 4.19Å; I88-P126 HydrophobicContact CD1-CB 3.62Å; I88-P126 HydrophobicContact CD1-CG 3.57Å; I88-L129 HydrophobicContact CD1-CD1 3.7Å; I88-L129 HydrophobicContact CG1-CD1 4.06Å; I88-L129 HydrophobicContact CG2-CD1 4.2Å
89I94.2Very high93.1Very high2 Ų237.9 Ų37.91%0.0122%0.224CC..Hα-helixtrans-60.5-44.9175.4-67.9168.2000110.1I7 F65 V85 H86 D91 Y92 F93 A96 I101 I108I7-I89 HydrophobicContact CD1-CD1 4.11Å; F65-I89 HydrophobicContact CE1-CD1 4.08Å; V85-I89 HydrophobicContact CG1-CD1 3.91Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.36Å; V85-I89 PolarHBondContact O-N 3.2Å; H86-I89 PolarHBondContact O-N 2.78Å; I89-D91 VanDerWaalsContact C-N 3.33Å; I89-D91 PolarHBondContact O-N 2.92Å; I89-Y92 PolarHBondContact O-N 3.23Å; I89-F93 HydrophobicContact CB-CD2 4.5Å; I89-F93 HydrophobicContact CG2-CD2 3.92Å; I89-F93 VanDerWaalsContact O-CD2 3.22Å; I89-F93 WeakPolarHBondContact O-CD2 3.16Å; I89-F93 PolarHBondContact O-N 2.96Å; I89-A96 HydrophobicContact CB-CB 4.28Å; I89-A96 HydrophobicContact CG2-CB 3.72Å; I89-I101 HydrophobicContact CG2-CG1 4.27Å; I89-I108 HydrophobicContact CD1-CG2 4.29Å; I89-I108 HydrophobicContact CG1-CG1 4.44Å; I89-I108 HydrophobicContact CG1-CG2 4.5Å
90E92.7Very high93Very high69 Ų6936.7 Ų36.732%0.32222%0.218SC..Hα-helixtrans-62.2-39.7175.6-69-166.4152.400112.5N61 H86 S87 I88 Y92 G94 A96N61-E90 PolarHBondContact ND2-OE1 3Å; H86-E90 IonicContact CE1-OE1 3.11Å; H86-E90 PolarHBondContact CE1-OE1 3.2Å; H86-E90 VanDerWaalsContact CE1-OE1 3.22Å; H86-E90 IonicContact CE1-OE2 2.85Å; H86-E90 PolarHBondContact CE1-OE2 2.81Å; H86-E90 IonicContact NE2-OE1 3.5Å; H86-E90 PolarHBondContact NE2-OE1 2.91Å; H86-E90 VanDerWaalsContact NE2-OE1 3.15Å; H86-E90 PolarHBondContact O-N 2.84Å; S87-E90 PolarHBondContact O-N 3.29Å; I88-E90 VanDerWaalsContact C-N 3.33Å; I88-E90 PolarHBondContact O-N 3.34Å; E90-Y92 PolarHBondContact O-N 3.36Å; E90-G94 CarbonylContact O-C 3.56Å; E90-G94 WeakPolarHBondContact O-CA 3.33Å; E90-G94 PolarHBondContact O-N 3.04Å; E90-A96 HydrophobicContact CG-CB 3.65Å
91D89.1Confident93.2Very high71 Ų7130.7 Ų30.738%0.3819%0.19SC..Hα-helixtrans-71.1-27-179.5-175.245.2000113.8S87 I88 I89 P126 K130S87-D91 WeakPolarHBondContact O-CB 3.21Å; S87-D91 PolarHBondContact O-N 3.18Å; I88-D91 PolarHBondContact O-N 2.93Å; I89-D91 VanDerWaalsContact C-N 3.33Å; I89-D91 PolarHBondContact O-N 2.92Å; D91-P126 WeakPolarHBondContact OD2-CB 3.34Å; D91-K130 PolarHBondContact O-NZ 3.39Å; D91-K130 IonicContact OD1-NZ 3.89Å; D91-K130 PolarHBondContact OD1-NZ 3.03Å; D91-K130 WeakPolarHBondContact OD2-CE 3.45Å; D91-K130 IonicContact OD2-NZ 3.78Å; D91-K130 PolarHBondContact OD2-NZ 2.94Å
92Y90.9Very high93.2Very high5 Ų535 Ų352%0.0221%0.209CC..Hα-helixtrans-84.1-43.4174.9-90.5-106.9000113.4I88 I89 E90 I111 L129 K130 V133 P135I88-Y92 HydrophobicContact CG2-CD2 3.87Å; I88-Y92 HydrophobicContact CG2-CE2 3.91Å; I88-Y92 VanDerWaalsContact O-CD2 3.32Å; I88-Y92 WeakPolarHBondContact O-CD2 3.12Å; I88-Y92 PolarHBondContact O-N 2.91Å; I89-Y92 PolarHBondContact O-N 3.23Å; E90-Y92 PolarHBondContact O-N 3.36Å; Y92-I111 HydrophobicContact CD1-CD1 3.64Å; Y92-I111 HydrophobicContact CD2-CD1 4.09Å; Y92-I111 HydrophobicContact CE1-CD1 3.71Å; Y92-I111 HydrophobicContact CE1-CG1 4.17Å; Y92-I111 HydrophobicContact CE2-CD1 4.14Å; Y92-I111 HydrophobicContact CG-CD1 3.81Å; Y92-L129 HydrophobicContact CE2-CB 4.37Å; Y92-L129 WeakPolarHBondContact OH-CB 3.23Å; Y92-L129 PolarHBondContact OH-O 2.88Å; Y92-K130 HydrophobicContact CD2-CG 4.49Å; Y92-K130 HydrophobicContact CE1-CG 4.28Å; Y92-K130 HydrophobicContact CE2-CG 3.75Å; Y92-K130 VanDerWaalsContact OH-CA 3.28Å; Y92-K130 WeakPolarHBondContact OH-CA 3.43Å; Y92-K130 PolarHBondContact OH-N 3.49Å; Y92-V133 HydrophobicContact CE1-CB 4.46Å; Y92-V133 HydrophobicContact CE1-CG1 4.39Å; Y92-V133 VanDerWaalsContact CE1-O 3.32Å; Y92-V133 WeakPolarHBondContact CE1-O 3.22Å; Y92-V133 PolarHBondContact OH-O 2.88Å; Y92-V133 VanDerWaalsContact OH-O 3.04Å; Y92-P135 HydrophobicContact CD1-CB 4.09Å; Y92-P135 HydrophobicContact CD1-CG 3.95Å; Y92-P135 HydrophobicContact CE1-CB 4.43Å; Y92-P135 HydrophobicContact CE1-CG 3.89Å
93F91.6Very high93.1Very high30 Ų3042 Ų4213%0.13224%0.242CC..Hα-helixtrans-114.31-166.9-50.4-68.8000113.5I89 S95 N104 I108 I111 P136I89-F93 HydrophobicContact CB-CD2 4.5Å; I89-F93 HydrophobicContact CG2-CD2 3.92Å; I89-F93 VanDerWaalsContact O-CD2 3.22Å; I89-F93 WeakPolarHBondContact O-CD2 3.16Å; I89-F93 PolarHBondContact O-N 2.96Å; F93-S95 PolarHBondContact O-N 2.97Å; F93-S95 VanDerWaalsContact O-N 3.14Å; F93-N104 HydrophobicContact CD1-CB 3.81Å; F93-N104 WeakPolarHBondContact CD1-OD1 3.32Å; F93-N104 HydrophobicContact CD2-CB 4.48Å; F93-N104 HydrophobicContact CE1-CB 3.43Å; F93-N104 VanDerWaalsContact CE1-CB 3.43Å; F93-N104 WeakPolarHBondContact CE1-OD1 3.44Å; F93-N104 HydrophobicContact CE2-CB 4.18Å; F93-N104 HydrophobicContact CG-CB 4.33Å; F93-N104 HydrophobicContact CZ-CB 3.65Å; F93-I108 HydrophobicContact CD2-CG1 4.48Å; F93-I108 HydrophobicContact CE2-CD1 4.18Å; F93-I108 HydrophobicContact CE2-CG1 3.59Å; F93-I108 HydrophobicContact CZ-CG1 4.03Å; F93-I111 HydrophobicContact CE2-CD1 4.25Å; F93-I111 HydrophobicContact CZ-CD1 4.18Å; F93-P136 HydrophobicContact CD1-CG 4.15Å; F93-P136 HydrophobicContact CE1-CG 3.79Å
94G89Confident93Very high71 Ų7142 Ų4273%0.73224%0.242SC*.SBendtrans79.9-22.3179.200000114.7E90E90-G94 CarbonylContact O-C 3.56Å; E90-G94 WeakPolarHBondContact O-CA 3.33Å; E90-G94 PolarHBondContact O-N 3.04Å
95S90.7Very high93.1Very high46 Ų4643.3 Ų43.332%0.32225%0.249SC..  trans-156.4150.2173.365.80000111.3F93 S100F93-S95 PolarHBondContact O-N 2.97Å; F93-S95 VanDerWaalsContact O-N 3.14Å; S95-S100 WeakPolarHBondContact O-CB 3.19Å; S95-S100 PolarHBondContact O-OG 3.49Å
96A93.2Very high92.9Very high0 Ų048 Ų480%028%0.277CS..  trans-105.384.8172.500000108.9N61 H86 I89 E90N61-A96 WeakPolarHBondContact CB-O 3.46Å; N61-A96 PolarHBondContact ND2-O 3.49Å; H86-A96 VanDerWaalsContact CD2-CB 3.5Å; H86-A96 WeakPolarHBondContact CD2-CB 3.38Å; I89-A96 HydrophobicContact CB-CB 4.28Å; I89-A96 HydrophobicContact CG2-CB 3.72Å; E90-A96 HydrophobicContact CG-CB 3.65Å
97T94.4Very high92.7Very high56 Ų5648.1 Ų48.134%0.34428%0.279SS..  trans-116.9163.7177640000109.4T99 S100 I101T97-T99 VanDerWaalsContact C-N 3.26Å; T97-T99 PolarHBondContact O-N 3.5Å; T97-S100 PolarHBondContact N-OG 3.25Å; T97-S100 PolarHBondContact O-N 3.4Å; T97-S100 PolarHBondContact O-OG 3.2Å; T97-S100 PolarHBondContact OG1-N 3.24Å; T97-S100 PolarHBondContact OG1-OG 3.38Å; T97-S100 VanDerWaalsContact OG1-OG 3.12Å; T97-I101 VanDerWaalsContact O-CG1 3.31Å; T97-I101 WeakPolarHBondContact O-CG1 3.46Å; T97-I101 PolarHBondContact O-N 2.83Å
98E95.2Very high92.8Very high59 Ų5945.2 Ų45.228%0.27626%0.259SS..Hα-helixtrans-53.5-45.5176.1175170.2167.800112.2N9 L63 I101 K102N9-E98 PolarHBondContact ND2-OE1 2.97Å; N9-E98 PolarHBondContact ND2-OE2 3.07Å; L63-E98 HydrophobicContact CD2-CB 4.3Å; E98-I101 PolarHBondContact O-N 3.25Å; E98-K102 HydrophobicContact CG-CD 4.07Å; E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 WeakPolarHBondContact O-CG 3.39Å; E98-K102 PolarHBondContact O-N 3.38Å; E98-K102 WeakPolarHBondContact OE1-CE 3.14Å; E98-K102 IonicContact OE1-NZ 3.81Å; E98-K102 PolarHBondContact OE1-NZ 3.14Å
99T94.5Very high92.8Very high86 Ų8648.8 Ų48.853%0.52827%0.273SS..Hα-helixtrans-62.8-50.3178.6-51.30000111.5T97 I101 K102 E103T97-T99 VanDerWaalsContact C-N 3.26Å; T97-T99 PolarHBondContact O-N 3.5Å; T99-I101 VanDerWaalsContact C-N 3.26Å; T99-I101 PolarHBondContact O-N 3.27Å; T99-K102 PolarHBondContact O-N 3.18Å; T99-E103 HydrophobicContact CG2-CG 4.36Å; T99-E103 WeakPolarHBondContact CG2-OE1 3.35Å; T99-E103 WeakPolarHBondContact O-CB 3.45Å; T99-E103 WeakPolarHBondContact O-CG 3.09Å; T99-E103 PolarHBondContact O-N 2.9Å
100S93.5Very high92.7Very high10 Ų1051 Ų517%0.0728%0.283CS..Hα-helixtrans-64.5-32.3-177.863.60000112.5S95 T97 N104S95-S100 WeakPolarHBondContact O-CB 3.19Å; S95-S100 PolarHBondContact O-OG 3.49Å; T97-S100 PolarHBondContact N-OG 3.25Å; T97-S100 PolarHBondContact O-N 3.4Å; T97-S100 PolarHBondContact O-OG 3.2Å; T97-S100 PolarHBondContact OG1-N 3.24Å; T97-S100 PolarHBondContact OG1-OG 3.38Å; T97-S100 VanDerWaalsContact OG1-OG 3.12Å; S100-N104 WeakPolarHBondContact O-CB 3.47Å; S100-N104 PolarHBondContact O-N 2.68Å; S100-N104 PolarHBondContact O-ND2 2.87Å
101I95.6Very high92.7Very high0 Ų048 Ų480%027%0.269CS..Hα-helixtrans-69.9-48.2175.2-67.5174.6000111.1I7 C15 L16 L63 I89 T97 E98 T99 E103 N104 V105 I108I7-I101 HydrophobicContact CD1-CD1 4.02Å; I7-I101 HydrophobicContact CD1-CG2 4.47Å; I7-I101 HydrophobicContact CG2-CD1 3.8Å; C15-I101 HydrophobicContact CB-CG2 4.14Å; L16-I101 HydrophobicContact CB-CG2 3.88Å; L16-I101 HydrophobicContact CD1-CG2 4.24Å; L63-I101 HydrophobicContact CD1-CD1 3.55Å; I89-I101 HydrophobicContact CG2-CG1 4.27Å; T97-I101 VanDerWaalsContact O-CG1 3.31Å; T97-I101 WeakPolarHBondContact O-CG1 3.46Å; T97-I101 PolarHBondContact O-N 2.83Å; E98-I101 PolarHBondContact O-N 3.25Å; T99-I101 VanDerWaalsContact C-N 3.26Å; T99-I101 PolarHBondContact O-N 3.27Å; I101-E103 VanDerWaalsContact C-N 3.3Å; I101-E103 PolarHBondContact O-N 2.99Å; I101-N104 CarbonylContact O-C 3.36Å; I101-N104 PolarHBondContact O-N 2.82Å; I101-V105 WeakPolarHBondContact O-CG2 3.42Å; I101-V105 PolarHBondContact O-N 2.91Å; I101-V105 VanDerWaalsContact O-N 3.13Å; I101-I108 HydrophobicContact CB-CD1 4.19Å; I101-I108 HydrophobicContact CG1-CD1 4.16Å; I101-I108 HydrophobicContact CG2-CD1 4.03Å
102K94.8Very high93Very high98 Ų9844.6 Ų44.643%0.42625%0.251SS..Hα-helixtrans-63.6-33.7179.6-75.6178.4175.1175.20112.7E98 T99 V105E98-K102 HydrophobicContact CG-CD 4.07Å; E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 WeakPolarHBondContact O-CG 3.39Å; E98-K102 PolarHBondContact O-N 3.38Å; E98-K102 WeakPolarHBondContact OE1-CE 3.14Å; E98-K102 IonicContact OE1-NZ 3.81Å; E98-K102 PolarHBondContact OE1-NZ 3.14Å; T99-K102 PolarHBondContact O-N 3.18Å; K102-V105 WeakPolarHBondContact O-CG2 3.18Å
103E93.3Very high93Very high146 Ų14648 Ų4868%0.68227%0.27SS*.Hα-helixtrans-74-28.4177-73.2176173.400113.1T99 I101T99-E103 HydrophobicContact CG2-CG 4.36Å; T99-E103 WeakPolarHBondContact CG2-OE1 3.35Å; T99-E103 WeakPolarHBondContact O-CB 3.45Å; T99-E103 WeakPolarHBondContact O-CG 3.09Å; T99-E103 PolarHBondContact O-N 2.9Å; I101-E103 VanDerWaalsContact C-N 3.3Å; I101-E103 PolarHBondContact O-N 2.99Å
104N92.6Very high92.9Very high35 Ų3550 Ų5019%0.18728%0.28CS..THydrogen-bonded Turntrans-115.123.3-173.2-61.6-80.9000113.6F93 S100 I101 V106 S107 I108F93-N104 HydrophobicContact CD1-CB 3.81Å; F93-N104 WeakPolarHBondContact CD1-OD1 3.32Å; F93-N104 HydrophobicContact CD2-CB 4.48Å; F93-N104 HydrophobicContact CE1-CB 3.43Å; F93-N104 VanDerWaalsContact CE1-CB 3.43Å; F93-N104 WeakPolarHBondContact CE1-OD1 3.44Å; F93-N104 HydrophobicContact CE2-CB 4.18Å; F93-N104 HydrophobicContact CG-CB 4.33Å; F93-N104 HydrophobicContact CZ-CB 3.65Å; S100-N104 WeakPolarHBondContact O-CB 3.47Å; S100-N104 PolarHBondContact O-N 2.68Å; S100-N104 PolarHBondContact O-ND2 2.87Å; I101-N104 CarbonylContact O-C 3.36Å; I101-N104 PolarHBondContact O-N 2.82Å; N104-V106 VanDerWaalsContact C-N 3.3Å; N104-V106 PolarHBondContact O-N 2.98Å; N104-S107 PolarHBondContact O-N 2.82Å; N104-S107 VanDerWaalsContact O-N 3.15Å; N104-I108 HydrophobicContact CB-CD1 4.29Å; N104-I108 HydrophobicContact CB-CG1 4.45Å; N104-I108 WeakPolarHBondContact O-CG1 3.24Å; N104-I108 PolarHBondContact O-N 2.98Å
105V93.6Very high93.1Very high45 Ų4546.7 Ų46.727%0.27325%0.245SC..Hα-helixtrans-51.6-46.5-174.7175.70000112.4L16 I101 K102 S107 I108 Y109L16-V105 HydrophobicContact CD1-CG1 4.38Å; I101-V105 WeakPolarHBondContact O-CG2 3.42Å; I101-V105 PolarHBondContact O-N 2.91Å; I101-V105 VanDerWaalsContact O-N 3.13Å; K102-V105 WeakPolarHBondContact O-CG2 3.18Å; V105-S107 PolarHBondContact O-N 2.93Å; V105-I108 PolarHBondContact O-N 3.25Å; V105-Y109 HydrophobicContact CG1-CD2 3.74Å; V105-Y109 HydrophobicContact CG1-CE2 3.52Å; V105-Y109 WeakPolarHBondContact O-CD2 3.44Å; V105-Y109 PolarHBondContact O-N 3.48Å
106V91.6Very high93Very high100 Ų10044.7 Ų44.761%0.60623%0.23SC*.Hα-helixtrans-60.5-49.1-178.5178.50000111.2N104 I108 Y109 E110N104-V106 VanDerWaalsContact C-N 3.3Å; N104-V106 PolarHBondContact O-N 2.98Å; V106-I108 VanDerWaalsContact C-N 3.34Å; V106-I108 PolarHBondContact O-N 3.02Å; V106-Y109 WeakPolarHBondContact O-CB 3.46Å; V106-Y109 PolarHBondContact O-N 2.97Å; V106-E110 PolarHBondContact O-N 2.86Å; V106-E110 VanDerWaalsContact O-N 3.11Å
107S91.1Very high92.6Very high15 Ų1549.9 Ų49.911%0.10526%0.258CS..Hα-helixtrans-64-38.6177.6-60.60000112.3N104 V105 Y109 E110 I111N104-S107 PolarHBondContact O-N 2.82Å; N104-S107 VanDerWaalsContact O-N 3.15Å; V105-S107 PolarHBondContact O-N 2.93Å; S107-Y109 VanDerWaalsContact C-N 3.32Å; S107-Y109 PolarHBondContact O-N 2.76Å; S107-E110 PolarHBondContact O-N 2.84Å; S107-I111 WeakPolarHBondContact O-CD1 3.32Å; S107-I111 WeakPolarHBondContact O-CG1 3.43Å; S107-I111 PolarHBondContact O-N 2.85Å
108I94.4Very high92Very high2 Ų249.1 Ų49.11%0.0126%0.261CS..Hα-helixtrans-65.1-38.2176.6-64.2166.6000110.7L16 I89 F93 I101 N104 V105 V106 I111 L112L16-I108 HydrophobicContact CD1-CB 3.91Å; L16-I108 HydrophobicContact CD1-CD1 4.45Å; L16-I108 HydrophobicContact CD1-CG2 3.51Å; I89-I108 HydrophobicContact CD1-CG2 4.29Å; I89-I108 HydrophobicContact CG1-CG1 4.44Å; I89-I108 HydrophobicContact CG1-CG2 4.5Å; F93-I108 HydrophobicContact CD2-CG1 4.48Å; F93-I108 HydrophobicContact CE2-CD1 4.18Å; F93-I108 HydrophobicContact CE2-CG1 3.59Å; F93-I108 HydrophobicContact CZ-CG1 4.03Å; I101-I108 HydrophobicContact CB-CD1 4.19Å; I101-I108 HydrophobicContact CG1-CD1 4.16Å; I101-I108 HydrophobicContact CG2-CD1 4.03Å; N104-I108 HydrophobicContact CB-CD1 4.29Å; N104-I108 HydrophobicContact CB-CG1 4.45Å; N104-I108 WeakPolarHBondContact O-CG1 3.24Å; N104-I108 PolarHBondContact O-N 2.98Å; V105-I108 PolarHBondContact O-N 3.25Å; V106-I108 VanDerWaalsContact C-N 3.34Å; V106-I108 PolarHBondContact O-N 3.02Å; I108-I111 PolarHBondContact O-N 3.2Å; I108-L112 HydrophobicContact CG2-CD1 3.9Å; I108-L112 HydrophobicContact CG2-CG 4.15Å; I108-L112 VanDerWaalsContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CB 3.42Å; I108-L112 WeakPolarHBondContact O-CG 3.01Å; I108-L112 PolarHBondContact O-N 3.46Å
109Y93.6Very high91.4Very high79 Ų7946.4 Ų46.431%0.3125%0.249SC..Hα-helixtrans-61.6-45.7174.8-92.5-123000112.2L16 E17 K18 V105 V106 S107 I111 L112 D113L16-Y109 HydrophobicContact CD1-CD2 3.94Å; L16-Y109 HydrophobicContact CD1-CE2 3.87Å; L16-Y109 HydrophobicContact CD2-CE2 4.38Å; L16-Y109 HydrophobicContact CG-CD2 4.37Å; L16-Y109 HydrophobicContact CG-CE2 3.84Å; E17-Y109 PolarHBondContact O-OH 3.27Å; K18-Y109 HydrophobicContact CD-CD1 3.72Å; K18-Y109 HydrophobicContact CD-CE1 3.83Å; K18-Y109 HydrophobicContact CD-CG 4.32Å; V105-Y109 HydrophobicContact CG1-CD2 3.74Å; V105-Y109 HydrophobicContact CG1-CE2 3.52Å; V105-Y109 WeakPolarHBondContact O-CD2 3.44Å; V105-Y109 PolarHBondContact O-N 3.48Å; V106-Y109 WeakPolarHBondContact O-CB 3.46Å; V106-Y109 PolarHBondContact O-N 2.97Å; S107-Y109 VanDerWaalsContact C-N 3.32Å; S107-Y109 PolarHBondContact O-N 2.76Å; Y109-I111 VanDerWaalsContact C-N 3.35Å; Y109-L112 PolarHBondContact O-N 2.81Å; Y109-D113 PolarHBondContact O-N 3.19Å
110E91.5Very high90.9Very high49 Ų4948.2 Ų48.223%0.22925%0.25CS..Hα-helixtrans-61-44.9176.6-68176.3160.100111V106 S107 L112 D113 E114 V133 I152V106-E110 PolarHBondContact O-N 2.86Å; V106-E110 VanDerWaalsContact O-N 3.11Å; S107-E110 PolarHBondContact O-N 2.84Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 2.88Å; E110-D113 PolarHBondContact O-N 2.82Å; E110-E114 WeakPolarHBondContact O-CG 3.42Å; E110-E114 PolarHBondContact O-N 3.29Å; E110-V133 HydrophobicContact CB-CG1 4.29Å; E110-V133 HydrophobicContact CB-CG2 4.11Å; E110-I152 WeakPolarHBondContact OE2-CG2 3.39Å
111I93.1Very high90.5Very high4 Ų450.2 Ų50.22%0.02126%0.263CS..Hα-helixtrans-59.8-45.9175.7-67.6163.8000110.7I88 Y92 F93 S107 I108 Y109 D113 E114 M115 V133I88-I111 HydrophobicContact CG2-CG2 3.56Å; Y92-I111 HydrophobicContact CD1-CD1 3.64Å; Y92-I111 HydrophobicContact CD2-CD1 4.09Å; Y92-I111 HydrophobicContact CE1-CD1 3.71Å; Y92-I111 HydrophobicContact CE1-CG1 4.17Å; Y92-I111 HydrophobicContact CE2-CD1 4.14Å; Y92-I111 HydrophobicContact CG-CD1 3.81Å; F93-I111 HydrophobicContact CE2-CD1 4.25Å; F93-I111 HydrophobicContact CZ-CD1 4.18Å; S107-I111 WeakPolarHBondContact O-CD1 3.32Å; S107-I111 WeakPolarHBondContact O-CG1 3.43Å; S107-I111 PolarHBondContact O-N 2.85Å; I108-I111 PolarHBondContact O-N 3.2Å; Y109-I111 VanDerWaalsContact C-N 3.35Å; I111-D113 VanDerWaalsContact C-N 3.32Å; I111-D113 PolarHBondContact O-N 3.05Å; I111-E114 PolarHBondContact O-N 2.81Å; I111-M115 HydrophobicContact CG2-CG 4.11Å; I111-M115 HydrophobicContact CG2-SD 3.67Å; I111-M115 WeakPolarHBondContact O-CB 3.21Å; I111-M115 VanDerWaalsContact O-CG 3.23Å; I111-M115 WeakPolarHBondContact O-CG 3.41Å; I111-M115 PolarHBondContact O-N 2.86Å; I111-V133 HydrophobicContact CG1-CB 4.19Å; I111-V133 HydrophobicContact CG1-CG1 3.97Å; I111-V133 HydrophobicContact CG1-CG2 4.39Å
112L94.3Very high89.8Confident1 Ų155 Ų551%0.00529%0.288CS..Hα-helixtrans-65-33.5-179.4-77.4177.1000113.1L5 L16 K18 W20 V85 I108 Y109 E110 M115 L116L5-L112 HydrophobicContact CD2-CD1 4.01Å; L5-L112 HydrophobicContact CD2-CD2 3.81Å; L16-L112 HydrophobicContact CD2-CD1 3.93Å; K18-L112 HydrophobicContact CB-CD1 4.08Å; K18-L112 HydrophobicContact CG-CD1 4.27Å; W20-L112 HydrophobicContact CH2-CD2 4.4Å; W20-L112 HydrophobicContact CZ2-CB 3.92Å; W20-L112 HydrophobicContact CZ2-CD2 4.29Å; V85-L112 HydrophobicContact CG1-CD2 3.9Å; V85-L112 HydrophobicContact CG2-CD2 3.84Å; I108-L112 HydrophobicContact CG2-CD1 3.9Å; I108-L112 HydrophobicContact CG2-CG 4.15Å; I108-L112 VanDerWaalsContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CB 3.42Å; I108-L112 WeakPolarHBondContact O-CG 3.01Å; I108-L112 PolarHBondContact O-N 3.46Å; Y109-L112 PolarHBondContact O-N 2.81Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 2.88Å; L112-M115 PolarHBondContact O-N 3.25Å; L112-L116 PolarHBondContact O-N 3.4Å; L112-L116 VanDerWaalsContact O-N 3.11Å
113D91.4Very high89Confident76 Ų7651 Ų5141%0.40627%0.273SS..Hα-helixtrans-68.6-34174.1-78.5-33.8000112.1K18 Y109 E110 I111K18-D113 WeakPolarHBondContact CE-OD1 3.42Å; K18-D113 IonicContact NZ-OD1 2.76Å; K18-D113 PolarHBondContact NZ-OD1 3.24Å; K18-D113 IonicContact NZ-OD2 3.92Å; K18-D113 PolarHBondContact NZ-OD2 3.27Å; Y109-D113 PolarHBondContact O-N 3.19Å; E110-D113 PolarHBondContact O-N 2.82Å; I111-D113 VanDerWaalsContact C-N 3.32Å; I111-D113 PolarHBondContact O-N 3.05Å
114E90.3Very high88.4Confident73 Ų7346.6 Ų46.634%0.34126%0.256SS..Hα-helixtrans-77.3-31.8173.8-64.5-60.4144.300112.5E110 I111 A123 L129 I132 V133E110-E114 WeakPolarHBondContact O-CG 3.42Å; E110-E114 PolarHBondContact O-N 3.29Å; I111-E114 PolarHBondContact O-N 2.81Å; E114-A123 WeakPolarHBondContact O-CB 3.5Å; E114-L129 HydrophobicContact CB-CD2 3.72Å; E114-I132 HydrophobicContact CG-CG2 3.78Å; E114-V133 HydrophobicContact CG-CG2 4.23Å
115M91.7Very high87.9Confident1 Ų146.2 Ų46.21%0.00525%0.254CS..Hα-helixtrans-72.5-34.9-180-75.4-178.474.500113.1F81 C84 V85 I88 I111 L112 P121 L122 A123 L129F81-M115 HydrophobicContact CE2-CB 4.22Å; F81-M115 HydrophobicContact CE2-CE 4.09Å; C84-M115 HydrophobicContact CB-CE 4.4Å; C84-M115 VanDerWaalsContact SG-CE 3.58Å; V85-M115 HydrophobicContact CB-CE 4.38Å; V85-M115 HydrophobicContact CG2-CE 3.63Å; V85-M115 HydrophobicContact CG2-SD 4.19Å; I88-M115 HydrophobicContact CB-SD 4.32Å; I88-M115 HydrophobicContact CG1-CE 4.1Å; I88-M115 HydrophobicContact CG1-SD 4.24Å; I88-M115 HydrophobicContact CG2-SD 4.19Å; I111-M115 HydrophobicContact CG2-CG 4.11Å; I111-M115 HydrophobicContact CG2-SD 3.67Å; I111-M115 WeakPolarHBondContact O-CB 3.21Å; I111-M115 VanDerWaalsContact O-CG 3.23Å; I111-M115 WeakPolarHBondContact O-CG 3.41Å; I111-M115 PolarHBondContact O-N 2.86Å; L112-M115 PolarHBondContact O-N 3.25Å; M115-P121 CarbonylContact O-C 3.58Å; M115-P121 WeakPolarHBondContact O-CA 3.4Å; M115-L122 PolarHBondContact O-N 2.89Å; M115-A123 WeakPolarHBondContact CA-O 3.35Å; M115-A123 WeakPolarHBondContact CG-O 3.45Å; M115-L129 HydrophobicContact CG-CD1 3.8Å; M115-L129 HydrophobicContact CG-CD2 4.05Å; M115-L129 HydrophobicContact SD-CD1 4.3Å
116L90.2Very high87.5Confident3 Ų346 Ų462%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-133118.6-171.4-163.9104.8000111.3L2 W20 F81 L112 F120 P121L2-L116 HydrophobicContact CB-CD1 4.48Å; L2-L116 HydrophobicContact CB-CD2 4.41Å; L2-L116 HydrophobicContact CD1-CD1 4.35Å; L2-L116 HydrophobicContact CD2-CD2 3.95Å; W20-L116 HydrophobicContact CB-CD2 4.37Å; W20-L116 HydrophobicContact CD2-CD2 3.32Å; W20-L116 HydrophobicContact CE3-CD2 3.72Å; W20-L116 HydrophobicContact CG-CD2 3.64Å; W20-L116 HydrophobicContact CH2-CD2 4.13Å; W20-L116 HydrophobicContact CZ2-CB 3.93Å; W20-L116 HydrophobicContact CZ2-CD2 3.77Å; W20-L116 HydrophobicContact CZ2-CG 4.45Å; W20-L116 HydrophobicContact CZ3-CD2 4.11Å; W20-L116 PolarHBondContact NE1-O 3.24Å; F81-L116 HydrophobicContact CD1-CD1 4.35Å; F81-L116 HydrophobicContact CD2-CD1 4.39Å; F81-L116 HydrophobicContact CE1-CD1 3.78Å; F81-L116 HydrophobicContact CE2-CB 4.39Å; F81-L116 HydrophobicContact CE2-CD1 3.81Å; F81-L116 HydrophobicContact CZ-CB 3.98Å; F81-L116 HydrophobicContact CZ-CD1 3.48Å; F81-L116 VanDerWaalsContact CZ-CD1 3.48Å; F81-L116 HydrophobicContact CZ-CG 4.31Å; L112-L116 PolarHBondContact O-N 3.4Å; L112-L116 VanDerWaalsContact O-N 3.11Å; L116-F120 WeakPolarHBondContact CA-O 3.32Å; L116-P121 HydrophobicContact CD1-CG 4.15Å
117D85Confident87.1Confident109 Ų10942.1 Ų42.158%0.58323%0.229SC*.EExtended strand (participates in β ladder)trans-110.3126175.8-176.817.4000110.3G119 F120 L122D117-G119 PolarHBondContact O-N 3.13Å; D117-F120 PolarHBondContact N-O 3.23Å; D117-F120 PolarHBondContact O-N 3.22Å; D117-L122 HydrophobicContact CB-CB 4.41Å; D117-L122 HydrophobicContact CB-CD2 4.25Å
118G80.9Confident86.7Confident40 Ų4042 Ų4241%0.41223%0.227SC..THydrogen-bonded Turntrans55.521.6176.900000115.6
119G82.4Confident86.2Confident2 Ų242 Ų422%0.02123%0.227CC..THydrogen-bonded Turntrans94.28.5-175.900000115.7L2 D117L2-G119 PolarHBondContact N-O 3.26Å; L2-G119 VanDerWaalsContact O-CA 3.23Å; L2-G119 WeakPolarHBondContact O-CA 3.21Å; D117-G119 PolarHBondContact O-N 3.13Å
120F84.3Confident85.8Confident124 Ų12440.3 Ų40.354%0.54422%0.221SC..EExtended strand (participates in β ladder)trans-122.9135.8179.4-61-83.9000111.6L116 D117 L122L116-F120 WeakPolarHBondContact CA-O 3.32Å; D117-F120 PolarHBondContact N-O 3.23Å; D117-F120 PolarHBondContact O-N 3.22Å; F120-L122 PolarHBondContact O-N 3.35Å
121P85.5Confident85.2Confident53 Ų5340.3 Ų40.334%0.34422%0.221SC..EExtended strand (participates in β ladder)trans-61.2130.7173.9-22.933.8000112.1F81 M115 L116 T124F81-P121 HydrophobicContact CB-CG 4.24Å; F81-P121 HydrophobicContact CD2-CB 3.86Å; F81-P121 HydrophobicContact CD2-CG 3.63Å; F81-P121 HydrophobicContact CE2-CB 4.25Å; F81-P121 HydrophobicContact CE2-CG 4.25Å; F81-P121 HydrophobicContact CG-CG 4.03Å; M115-P121 CarbonylContact O-C 3.58Å; M115-P121 WeakPolarHBondContact O-CA 3.4Å; L116-P121 HydrophobicContact CD1-CG 4.15Å; P121-T124 HydrophobicContact CB-CG2 4.16Å
122L81.2Confident84.6Confident99 Ų9941.2 Ų41.252%0.51823%0.226SC..  trans-117.1-60.7-178.7-179.469.1000112.5M115 D117 F120M115-L122 PolarHBondContact O-N 2.89Å; D117-L122 HydrophobicContact CB-CB 4.41Å; D117-L122 HydrophobicContact CB-CD2 4.25Å; F120-L122 PolarHBondContact O-N 3.35Å
123A77.3Confident84.1Confident15 Ų1541.3 Ų41.312%0.12423%0.227CC..  trans-120.797.9-177.900000110.8E114 M115 I128 L129E114-A123 WeakPolarHBondContact O-CB 3.5Å; M115-A123 WeakPolarHBondContact CA-O 3.35Å; M115-A123 WeakPolarHBondContact CG-O 3.45Å; A123-I128 HydrophobicContact CB-CG2 4.36Å; A123-L129 HydrophobicContact CB-CD2 4.24Å
124T79.9Confident83.5Confident53 Ų5340.3 Ų40.333%0.32522%0.217SC..  trans-104.50.3-177.553.10000113.3C84 P121C84-T124 VanDerWaalsContact SG-CB 3.58Å; C84-T124 PolarHBondContact SG-O 2.92Å; P121-T124 HydrophobicContact CB-CG2 4.16Å
125E83.6Confident83Confident27 Ų2737.6 Ų37.613%0.12621%0.206CC..  trans-87.8125.5-175.9-70.2-67.4155.800111.2N127 I128 L129 W167 H234E125-N127 VanDerWaalsContact C-N 3.31Å; E125-N127 PolarHBondContact O-N 3.5Å; E125-I128 HydrophobicContact CB-CG2 3.94Å; E125-I128 WeakPolarHBondContact O-CG2 3.38Å; E125-I128 PolarHBondContact O-N 3.15Å; E125-L129 WeakPolarHBondContact O-CG 3.44Å; E125-L129 PolarHBondContact O-N 3.2Å; E125-W167 HydrophobicContact CG-CB 4.26Å; E125-W167 WeakPolarHBondContact OE2-CB 3.23Å; E125-H234 IonicContact OE1-CE1 2.72Å; E125-H234 IonicContact OE2-CE1 3.08Å; E125-H234 IonicContact OE2-NE2 2.71Å
126P84.2Confident81.9Confident42 Ų4239.9 Ų39.927%0.27322%0.221SC..Hα-helixtrans-60.7-37.7-175.3-14.719.3000113.7I88 D91 I128 L129 K130I88-P126 HydrophobicContact CD1-CB 3.62Å; I88-P126 HydrophobicContact CD1-CG 3.57Å; D91-P126 WeakPolarHBondContact OD2-CB 3.34Å; P126-I128 PolarHBondContact O-N 3.24Å; P126-L129 PolarHBondContact O-N 3.19Å; P126-K130 WeakPolarHBondContact O-CB 3.19Å; P126-K130 VanDerWaalsContact O-CG 3.23Å; P126-K130 WeakPolarHBondContact O-CG 3.32Å; P126-K130 PolarHBondContact O-N 2.98Å
127N82.9Confident80.7Confident17 Ų1745.9 Ų45.99%0.09125%0.253CS..Hα-helixtrans-67.8-36.9-175.8-78.8-36.8000113.7E125 W167 R169 D254E125-N127 VanDerWaalsContact C-N 3.31Å; E125-N127 PolarHBondContact O-N 3.5Å; N127-W167 VanDerWaalsContact CB-O 3.3Å; N127-W167 WeakPolarHBondContact CB-O 3.42Å; N127-W167 PolarHBondContact ND2-O 2.78Å; N127-R169 HydrophobicContact CB-CG 4.41Å; N127-D254 PolarHBondContact ND2-N 3.41Å; N127-D254 PolarHBondContact ND2-O 3.17Å; N127-D254 VanDerWaalsContact ND2-O 3.14Å
128I82.2Confident79.4Confident14 Ų1446.2 Ų46.27%0.07225%0.249CC..Hα-helixtrans-75.4-39.3175.9-163.2163000110.7A123 E125 P126 K130 E131 I132 R166A123-I128 HydrophobicContact CB-CG2 4.36Å; E125-I128 HydrophobicContact CB-CG2 3.94Å; E125-I128 WeakPolarHBondContact O-CG2 3.38Å; E125-I128 PolarHBondContact O-N 3.15Å; P126-I128 PolarHBondContact O-N 3.24Å; I128-K130 VanDerWaalsContact C-N 3.27Å; I128-K130 PolarHBondContact O-N 3.4Å; I128-E131 PolarHBondContact O-N 2.93Å; I128-E131 VanDerWaalsContact O-N 3.12Å; I128-I132 HydrophobicContact CG1-CD1 4.33Å; I128-I132 WeakPolarHBondContact O-CG1 3.43Å; I128-I132 PolarHBondContact O-N 2.96Å; I128-R166 WeakPolarHBondContact CB-O 3.44Å; I128-R166 HydrophobicContact CD1-CB 4.41Å
129L85.6Confident77.8Confident0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-57.4-45175.1-70.9169.8000110I88 Y92 E114 M115 A123 E125 P126 E131 I132 V133I88-L129 HydrophobicContact CD1-CD1 3.7Å; I88-L129 HydrophobicContact CG1-CD1 4.06Å; I88-L129 HydrophobicContact CG2-CD1 4.2Å; Y92-L129 HydrophobicContact CE2-CB 4.37Å; Y92-L129 WeakPolarHBondContact OH-CB 3.23Å; Y92-L129 PolarHBondContact OH-O 2.88Å; E114-L129 HydrophobicContact CB-CD2 3.72Å; M115-L129 HydrophobicContact CG-CD1 3.8Å; M115-L129 HydrophobicContact CG-CD2 4.05Å; M115-L129 HydrophobicContact SD-CD1 4.3Å; A123-L129 HydrophobicContact CB-CD2 4.24Å; E125-L129 WeakPolarHBondContact O-CG 3.44Å; E125-L129 PolarHBondContact O-N 3.2Å; P126-L129 PolarHBondContact O-N 3.19Å; L129-E131 PolarHBondContact O-N 3.2Å; L129-I132 PolarHBondContact O-N 3.15Å; L129-V133 PolarHBondContact O-N 3.47Å
130K83.5Confident76.2Confident45 Ų4556 Ų5620%0.19629%0.286CS..Hα-helixtrans-65-19.6-179.7-74.9178170.1170.60114.5D91 Y92 P126 I128 V133 P135D91-K130 PolarHBondContact O-NZ 3.39Å; D91-K130 IonicContact OD1-NZ 3.89Å; D91-K130 PolarHBondContact OD1-NZ 3.03Å; D91-K130 WeakPolarHBondContact OD2-CE 3.45Å; D91-K130 IonicContact OD2-NZ 3.78Å; D91-K130 PolarHBondContact OD2-NZ 2.94Å; Y92-K130 HydrophobicContact CD2-CG 4.49Å; Y92-K130 HydrophobicContact CE1-CG 4.28Å; Y92-K130 HydrophobicContact CE2-CG 3.75Å; Y92-K130 VanDerWaalsContact OH-CA 3.28Å; Y92-K130 WeakPolarHBondContact OH-CA 3.43Å; Y92-K130 PolarHBondContact OH-N 3.49Å; P126-K130 WeakPolarHBondContact O-CB 3.19Å; P126-K130 VanDerWaalsContact O-CG 3.23Å; P126-K130 WeakPolarHBondContact O-CG 3.32Å; P126-K130 PolarHBondContact O-N 2.98Å; I128-K130 VanDerWaalsContact C-N 3.27Å; I128-K130 PolarHBondContact O-N 3.4Å; K130-V133 CarbonylContact C-O 3.57Å; K130-V133 WeakPolarHBondContact CA-O 3.3Å; K130-P135 HydrophobicContact CB-CG 4.3Å; K130-P135 HydrophobicContact CD-CG 4.01Å; K130-P135 HydrophobicContact CG-CG 3.71Å
131E78.7Confident74.6Confident49 Ų4952.7 Ų52.723%0.22928%0.278CS..Hα-helixtrans-79.8-35.2171.2-71.2-170.715600111.9I128 L129 P158 R169I128-E131 PolarHBondContact O-N 2.93Å; I128-E131 VanDerWaalsContact O-N 3.12Å; L129-E131 PolarHBondContact O-N 3.2Å; E131-P158 HydrophobicContact CB-CB 4.47Å; E131-P158 HydrophobicContact CB-CG 4.14Å; E131-P158 WeakPolarHBondContact OE2-CB 3.32Å; E131-R169 VanDerWaalsContact CG-CD 3.49Å; E131-R169 HydrophobicContact CG-CG 3.89Å; E131-R169 WeakPolarHBondContact OE1-CB 3.43Å; E131-R169 WeakPolarHBondContact OE1-CD 3.19Å; E131-R169 WeakPolarHBondContact OE1-CG 3.41Å
132I81.9Confident72.7Confident22 Ų2257.2 Ų57.211%0.11330%0.299CS..Hα-helixtrans-79.4-54-178.7-59166.9000110.2E114 I128 L129 G154 P158E114-I132 HydrophobicContact CG-CG2 3.78Å; I128-I132 HydrophobicContact CG1-CD1 4.33Å; I128-I132 WeakPolarHBondContact O-CG1 3.43Å; I128-I132 PolarHBondContact O-N 2.96Å; L129-I132 PolarHBondContact O-N 3.15Å; I132-G154 PolarHBondContact O-N 3.11Å; I132-P158 HydrophobicContact CD1-CG 4.3Å; I132-P158 HydrophobicContact CG1-CG 3.56Å
133V82.9Confident71.3Confident3 Ų356.8 Ų56.82%0.01830%0.3CS..BIsolated β-bridgetrans-110.6111.9177.4-172.50000108.3Y92 E110 I111 E114 L129 K130 I152Y92-V133 HydrophobicContact CE1-CB 4.46Å; Y92-V133 HydrophobicContact CE1-CG1 4.39Å; Y92-V133 VanDerWaalsContact CE1-O 3.32Å; Y92-V133 WeakPolarHBondContact CE1-O 3.22Å; Y92-V133 PolarHBondContact OH-O 2.88Å; Y92-V133 VanDerWaalsContact OH-O 3.04Å; E110-V133 HydrophobicContact CB-CG1 4.29Å; E110-V133 HydrophobicContact CB-CG2 4.11Å; I111-V133 HydrophobicContact CG1-CB 4.19Å; I111-V133 HydrophobicContact CG1-CG1 3.97Å; I111-V133 HydrophobicContact CG1-CG2 4.39Å; E114-V133 HydrophobicContact CG-CG2 4.23Å; L129-V133 PolarHBondContact O-N 3.47Å; K130-V133 CarbonylContact C-O 3.57Å; K130-V133 WeakPolarHBondContact CA-O 3.3Å; V133-I152 HydrophobicContact CG1-CG2 3.95Å
134R79.4Confident70.1Confident55 Ų5557.5 Ų57.521%0.20830%0.302CS..  trans-76.2132.9-175.9-65.3179-176.3172.11.6110.8D144 I152R134-D144 IonicContact NH1-OD2 2.75Å; R134-I152 PolarHBondContact N-O 3.38Å
135P79.4Confident68.8Low16 Ų1658.7 Ų58.710%0.10432%0.317CS..  trans-59.1144.3172.2-25.634.5000112.1Y92 K130 N137 F138Y92-P135 HydrophobicContact CD1-CB 4.09Å; Y92-P135 HydrophobicContact CD1-CG 3.95Å; Y92-P135 HydrophobicContact CE1-CB 4.43Å; Y92-P135 HydrophobicContact CE1-CG 3.89Å; K130-P135 HydrophobicContact CB-CG 4.3Å; K130-P135 HydrophobicContact CD-CG 4.01Å; K130-P135 HydrophobicContact CG-CG 3.71Å; P135-N137 PolarHBondContact O-N 2.78Å; P135-F138 WeakPolarHBondContact O-CB 3.22Å; P135-F138 PolarHBondContact O-N 3.09Å
136P69Low67.3Low49 Ų4963.4 Ų63.432%0.31835%0.348SS..G310 helixtrans-55.9-39.2178.8-23.831.7000113F93 F138 L139F93-P136 HydrophobicContact CD1-CG 4.15Å; F93-P136 HydrophobicContact CE1-CG 3.79Å; P136-F138 PolarHBondContact O-N 3.12Å; P136-F138 VanDerWaalsContact O-N 3.15Å; P136-L139 WeakPolarHBondContact O-CB 3.45Å; P136-L139 PolarHBondContact O-N 3.03Å; P136-L139 VanDerWaalsContact O-N 3.15Å
137N65.6Low66.1Low129 Ų12965.4 Ų65.469%0.6936%0.359SS*.G310 helixtrans-67.6-12.6179.9-66.6-19.1000113.7P135 L139P135-N137 PolarHBondContact O-N 2.78Å; N137-L139 VanDerWaalsContact C-N 3.26Å
138F56.5Low64.8Low117 Ų11767.6 Ų67.651%0.51339%0.386SS..G310 helixtrans-73.7-21175.5-148.8-104.3000111.9P135 P136 Q140 S141P135-F138 WeakPolarHBondContact O-CB 3.22Å; P135-F138 PolarHBondContact O-N 3.09Å; P136-F138 PolarHBondContact O-N 3.12Å; P136-F138 VanDerWaalsContact O-N 3.15Å; F138-Q140 PolarHBondContact O-N 3.44Å; F138-Q140 VanDerWaalsContact O-N 3.11Å; F138-S141 PolarHBondContact O-N 3.03Å
139L48.6Very low63.5Low76 Ų7672.9 Ų72.940%0.39841%0.408SS..G310 helixtrans-75.38.5-177.9-65.9173.9000114.9P136 N137 S141P136-L139 WeakPolarHBondContact O-CB 3.45Å; P136-L139 PolarHBondContact O-N 3.03Å; P136-L139 VanDerWaalsContact O-N 3.15Å; N137-L139 VanDerWaalsContact C-N 3.26Å; L139-S141 VanDerWaalsContact C-N 3.31Å
140Q48.7Very low61.9Low172 Ų17278.6 Ų78.680%0.80444%0.439SS*.G310 helixtrans-82.9-3.5169.6-901767.800114.2F138 L142F138-Q140 PolarHBondContact O-N 3.44Å; F138-Q140 VanDerWaalsContact O-N 3.11Å; Q140-L142 PolarHBondContact O-N 3.23Å
141S50.2Low60.7Low53 Ų5380.5 Ų80.537%0.37145%0.454SS..SBendtrans-70.1106.3166.797.40000108.4F138 L139 T143 D144F138-S141 PolarHBondContact O-N 3.03Å; L139-S141 VanDerWaalsContact C-N 3.31Å; S141-T143 PolarHBondContact O-N 2.94Å; S141-T143 PolarHBondContact OG-OG1 3.45Å; S141-D144 PolarHBondContact O-N 3.07Å; S141-D144 VanDerWaalsContact O-N 3.15Å
142L46.2Very low59.9Low149 Ų14981.1 Ų81.178%0.7846%0.459SS*.Hα-helixtrans-47.8-14-178.8-66.6164.7000114.4Q140 V146Q140-L142 PolarHBondContact O-N 3.23Å; L142-V146 WeakPolarHBondContact O-CG2 3.48Å; L142-V146 PolarHBondContact O-N 3.45Å
143T51.5Low58.9Low90 Ų9084.6 Ų84.655%0.55248%0.476SS*.Hα-helixtrans-67.5-36.1176.725.70000114.9S141 T147S141-T143 PolarHBondContact O-N 2.94Å; S141-T143 PolarHBondContact OG-OG1 3.45Å; T143-T147 WeakPolarHBondContact O-CG2 3.39Å; T143-T147 PolarHBondContact O-N 3.44Å; T143-T147 PolarHBondContact O-OG1 3.35Å
144D51.4Low57.8Low29 Ų2985.1 Ų85.116%0.15548%0.483CS..Hα-helixtrans-79-36.6-176.1-73.3-17.4000111.8R134 S141 V146 T147 G148 K149R134-D144 IonicContact NH1-OD2 2.75Å; S141-D144 PolarHBondContact O-N 3.07Å; S141-D144 VanDerWaalsContact O-N 3.15Å; D144-V146 VanDerWaalsContact C-N 3.26Å; D144-V146 PolarHBondContact O-N 3.27Å; D144-T147 PolarHBondContact O-N 3.44Å; D144-T147 PolarHBondContact O-OG1 3.21Å; D144-G148 PolarHBondContact O-N 3.46Å; D144-G148 VanDerWaalsContact O-N 3.1Å; D144-K149 PolarHBondContact O-N 2.98Å
145A51.8Low56.8Low79 Ų7987.1 Ų87.165%0.65351%0.505SS*.Hα-helixtrans-62.2-32.8172.600000112.6
146V52.2Low55.8Low126 Ų12691 Ų9176%0.76453%0.529SS*.Hα-helixtrans-78.1-28.3178.5173.60000112.2L142 D144L142-V146 WeakPolarHBondContact O-CG2 3.48Å; L142-V146 PolarHBondContact O-N 3.45Å; D144-V146 VanDerWaalsContact C-N 3.26Å; D144-V146 PolarHBondContact O-N 3.27Å
147T60.3Low55.4Low84 Ų8495.2 Ų95.252%0.51555%0.547SS..Hα-helixtrans-99.2-1.7-176.657.40000114.4T143 D144 K149T143-T147 WeakPolarHBondContact O-CG2 3.39Å; T143-T147 PolarHBondContact O-N 3.44Å; T143-T147 PolarHBondContact O-OG1 3.35Å; D144-T147 PolarHBondContact O-N 3.44Å; D144-T147 PolarHBondContact O-OG1 3.21Å; T147-K149 PolarHBondContact O-N 3.04Å
148G56Low55.1Low63 Ų6389.8 Ų89.865%0.64952%0.519SS*.THydrogen-bonded Turntrans69.315.6177.700000114.3D144 N150D144-G148 PolarHBondContact O-N 3.46Å; D144-G148 VanDerWaalsContact O-N 3.1Å; G148-N150 PolarHBondContact O-N 2.87Å
149K53.4Low55.1Low124 Ų12490 Ų9054%0.53953%0.53SS..  trans-93.167.7179.4-68.2-175.4-175.4179.80110.8D144 T147 T151D144-K149 PolarHBondContact O-N 2.98Å; T147-K149 PolarHBondContact O-N 3.04Å; K149-T151 PolarHBondContact O-N 3.48Å
150N51.9Low55.4Low120 Ų12087.9 Ų87.964%0.64252%0.519SS*.  trans-86.945.9175.6-73.5-2.9000112.3G148G148-N150 PolarHBondContact O-N 2.87Å
151T58.5Low55.7Low85 Ų8584.2 Ų84.252%0.52150%0.502SS..  trans-94.9126.2175.4-440000109.5K149 I153K149-T151 PolarHBondContact O-N 3.48Å; T151-I153 HydrophobicContact CG2-CB 4.08Å; T151-I153 PolarHBondContact O-N 2.87Å
152I61.5Low55.8Low63 Ų6389.9 Ų89.932%0.32353%0.527SS..SBendtrans-62.4-35.6176.3-55.8169.5000110.4E110 V133 R134E110-I152 WeakPolarHBondContact OE2-CG2 3.39Å; V133-I152 HydrophobicContact CG1-CG2 3.95Å; R134-I152 PolarHBondContact N-O 3.38Å
153I61.4Low56.7Low94 Ų9484.4 Ų84.448%0.48250%0.502SS..BIsolated β-bridgetrans-77.7128.7176.5-53.4172.8000110T151 S155T151-I153 HydrophobicContact CG2-CB 4.08Å; T151-I153 PolarHBondContact O-N 2.87Å; I153-S155 PolarHBondContact O-N 2.72Å
154G60.5Low57.5Low15 Ų1587.4 Ų87.416%0.15551%0.514CS..  trans-57.9132.1175.300000112.5I132 T156I132-G154 PolarHBondContact O-N 3.11Å; G154-T156 PolarHBondContact O-N 2.71Å
155S58.9Low58.6Low96 Ų9688.3 Ų88.367%0.67152%0.519SS*.SBendtrans-73-3.4177.563.20000114.3I153I153-S155 PolarHBondContact O-N 2.72Å
156T57.6Low59.7Low99 Ų9990.4 Ų90.461%0.60751%0.51SS*.SBendtrans-128.1125.6-177.450.60000108.6G154G154-T156 PolarHBondContact O-N 2.71Å
157L59.8Low61.2Low136 Ų13686 Ų8671%0.71248%0.479SS*.  trans-56.4137.3169.7-83.2116.9000109.5T159L157-T159 PolarHBondContact O-N 2.82Å; L157-T159 VanDerWaalsContact O-N 3.14Å
158P60.3Low62.5Low15 Ų1582.3 Ų82.310%0.09746%0.456CS..  trans-51.7121.5172.9-25.532.9000110.2E131 I132 N160 Q161E131-P158 HydrophobicContact CB-CB 4.47Å; E131-P158 HydrophobicContact CB-CG 4.14Å; E131-P158 WeakPolarHBondContact OE2-CB 3.32Å; I132-P158 HydrophobicContact CD1-CG 4.3Å; I132-P158 HydrophobicContact CG1-CG 3.56Å; P158-N160 PolarHBondContact O-N 2.61Å; P158-Q161 HydrophobicContact CB-CG 4.06Å; P158-Q161 HydrophobicContact CG-CG 4.31Å; P158-Q161 PolarHBondContact O-N 2.83Å
159T56.7Low63.5Low122 Ų12282.4 Ų82.475%0.74844%0.437SS*.THydrogen-bonded Turntrans-56.7-21.1179.2-47.90000112L157L157-T159 PolarHBondContact O-N 2.82Å; L157-T159 VanDerWaalsContact O-N 3.14Å
160N55Low64.6Low31 Ų3180 Ų8017%0.16644%0.436CS..THydrogen-bonded Turntrans-98.28.3-173-75.5-5.9000115.3P158 L162 S163 R168P158-N160 PolarHBondContact O-N 2.61Å; N160-L162 PolarHBondContact O-N 3.1Å; N160-L162 VanDerWaalsContact O-N 3.15Å; N160-S163 VanDerWaalsContact CB-OG 3.29Å; N160-S163 WeakPolarHBondContact CB-OG 3.49Å; N160-S163 PolarHBondContact O-N 2.93Å; N160-S163 PolarHBondContact O-OG 3.08Å; N160-R168 PolarHBondContact ND2-O 3.05Å
161Q53.8Low66.1Low96 Ų9677.4 Ų77.445%0.44944%0.437SS..THydrogen-bonded Turntrans-55.8-32.6176.6-74.8-163.5-29.300113.2P158P158-Q161 HydrophobicContact CB-CG 4.06Å; P158-Q161 HydrophobicContact CG-CG 4.31Å; P158-Q161 PolarHBondContact O-N 2.83Å
162L54.2Low67.4Low171 Ų17174.1 Ų74.190%0.89542%0.417SS*.THydrogen-bonded Turntrans-92.8-6.4177-62.9176000113.7N160N160-L162 PolarHBondContact O-N 3.1Å; N160-L162 VanDerWaalsContact O-N 3.15Å
163S64.4Low68.9Low34 Ų3477.4 Ų77.424%0.23844%0.435CS..SBendtrans-83.7148.7-179.285.50000110.7N160 I165N160-S163 VanDerWaalsContact CB-OG 3.29Å; N160-S163 WeakPolarHBondContact CB-OG 3.49Å; N160-S163 PolarHBondContact O-N 2.93Å; N160-S163 PolarHBondContact O-OG 3.08Å; S163-I165 PolarHBondContact O-N 3.14Å; S163-I165 PolarHBondContact OG-N 3.33Å; S163-I165 PolarHBondContact OG-O 3Å
164N67.6Low70.4Confident153 Ų15376 Ų7682%0.81842%0.424SS*.SBendtrans-72.2-1.8172.2-67.9-15.3000112.9W167N164-W167 WeakPolarHBondContact O-CH2 3Å
165I75Confident71.9Confident48 Ų4881.9 Ų81.925%0.24646%0.457CS..  trans-109.379.8-177.9-55169.1000108.1S163 W167 R168 I251S163-I165 PolarHBondContact O-N 3.14Å; S163-I165 PolarHBondContact OG-N 3.33Å; S163-I165 PolarHBondContact OG-O 3Å; I165-W167 HydrophobicContact CB-CZ2 4.4Å; I165-W167 HydrophobicContact CG1-CZ2 4.4Å; I165-W167 HydrophobicContact CG2-CD2 4.47Å; I165-W167 HydrophobicContact CG2-CZ2 4.04Å; I165-R168 HydrophobicContact CG2-CB 3.92Å; I165-I251 HydrophobicContact CD1-CD1 3.46Å; I165-I251 VanDerWaalsContact CD1-CD1 3.46Å; I165-I251 HydrophobicContact CG1-CD1 4.43Å; I165-I251 HydrophobicContact CG2-CG2 4.23Å
166R75.5Confident73.6Confident124 Ų12483 Ų8347%0.46846%0.456SS..THydrogen-bonded Turntrans-77.9-21.6-177.6-62.8-171.9-178.2-1680.1113.6I128I128-R166 WeakPolarHBondContact CB-O 3.44Å; I128-R166 HydrophobicContact CD1-CB 4.41Å
167W83.5Confident75.5Confident33 Ų3379.7 Ų79.713%0.12543%0.434CS..THydrogen-bonded Turntrans-92.3-4.1-170.854.675.1000114.4E125 N127 N164 I165 P235 C236 I251 P253E125-W167 HydrophobicContact CG-CB 4.26Å; E125-W167 WeakPolarHBondContact OE2-CB 3.23Å; N127-W167 VanDerWaalsContact CB-O 3.3Å; N127-W167 WeakPolarHBondContact CB-O 3.42Å; N127-W167 PolarHBondContact ND2-O 2.78Å; N164-W167 WeakPolarHBondContact O-CH2 3Å; I165-W167 HydrophobicContact CB-CZ2 4.4Å; I165-W167 HydrophobicContact CG1-CZ2 4.4Å; I165-W167 HydrophobicContact CG2-CD2 4.47Å; I165-W167 HydrophobicContact CG2-CZ2 4.04Å; W167-P235 HydrophobicContact CE3-CB 4.45Å; W167-P235 HydrophobicContact CZ3-CB 4.39Å; W167-C236 HydrophobicContact CD2-CB 3.65Å; W167-C236 HydrophobicContact CE3-CB 4.29Å; W167-C236 HydrophobicContact CG-CB 4Å; W167-C236 HydrophobicContact CH2-CB 4.33Å; W167-C236 VanDerWaalsContact CZ2-CA 3.42Å; W167-C236 HydrophobicContact CZ2-CB 3.69Å; W167-C236 VanDerWaalsContact NE1-CB 3.35Å; W167-I251 PolarHBondContact NE1-O 2.86Å; W167-P253 HydrophobicContact CB-CB 4.39Å; W167-P253 HydrophobicContact CB-CG 3.98Å; W167-P253 HydrophobicContact CG-CG 4.1Å; W167-P253 WeakPolarHBondContact O-CA 3.38Å
168R86.9Confident77.3Confident6 Ų675 Ų752%0.02341%0.409CS..SBendtrans-132132.1-179-167.8-175.6-176.571.16.3111.4N160 I165 L212 G214 P252N160-R168 PolarHBondContact ND2-O 3.05Å; I165-R168 HydrophobicContact CG2-CB 3.92Å; R168-L212 PolarHBondContact NH2-O 2.83Å; R168-G214 PolarHBondContact NE-O 2.97Å; R168-G214 PolarHBondContact NH2-O 3.15Å; R168-P252 WeakPolarHBondContact CD-O 3.23Å; R168-P252 WeakPolarHBondContact CG-O 3.46Å; R168-P252 PolarHBondContact NH1-O 2.92Å
169R77.7Confident79.1Confident65 Ų6574.3 Ų74.325%0.24540%0.404CS..  trans-75.4153.4179.2-58.2-171.4-71.1176.8-3111.9N127 E131 V172 D254N127-R169 HydrophobicContact CB-CG 4.41Å; E131-R169 VanDerWaalsContact CG-CD 3.49Å; E131-R169 HydrophobicContact CG-CG 3.89Å; E131-R169 WeakPolarHBondContact OE1-CB 3.43Å; E131-R169 WeakPolarHBondContact OE1-CD 3.19Å; E131-R169 WeakPolarHBondContact OE1-CG 3.41Å; R169-V172 HydrophobicContact CB-CG2 3.9Å; R169-V172 WeakPolarHBondContact O-CG2 3.24Å; R169-D254 IonicContact NH2-OD2 3.72Å; R169-D254 PolarHBondContact NH2-OD2 2.91Å; R169-D254 VanDerWaalsContact NH2-OD2 3.1Å
170S76.5Confident81.1Confident75 Ų7571.5 Ų71.552%0.52438%0.381SS..THydrogen-bonded Turntrans-79.8150.6170.2-169.20000110.6V172S170-V172 VanDerWaalsContact C-N 3.25Å; S170-V172 PolarHBondContact O-N 3.32Å
171G82.2Confident83.1Confident65 Ų6570 Ų7067%0.6737%0.373SS*.THydrogen-bonded Turntrans69.815174.600000115.7N173G171-N173 PolarHBondContact O-N 2.67Å
172V86.5Confident85.2Confident15 Ų1567.9 Ų67.99%0.09136%0.364CS..  trans-53.8128.7172.3178.10000109R169 S170 Y174 L212 S213 G214 D254R169-V172 HydrophobicContact CB-CG2 3.9Å; R169-V172 WeakPolarHBondContact O-CG2 3.24Å; S170-V172 VanDerWaalsContact C-N 3.25Å; S170-V172 PolarHBondContact O-N 3.32Å; V172-Y174 HydrophobicContact CG1-CD2 3.85Å; V172-Y174 HydrophobicContact CG1-CE2 3.39Å; V172-L212 VanDerWaalsContact CG1-O 3.24Å; V172-L212 WeakPolarHBondContact CG1-O 3.33Å; V172-S213 CarbonylContact O-C 3.57Å; V172-S213 WeakPolarHBondContact O-CA 3.45Å; V172-G214 PolarHBondContact O-N 3.27Å; V172-D254 WeakPolarHBondContact CG1-OD1 3.39Å
173N92Very high87.3Confident133 Ų13359.7 Ų59.771%0.71132%0.321SS*.  trans-140.8127.4-178.9-169.520.7000111.1G171 S213G171-N173 PolarHBondContact O-N 2.67Å; N173-S213 WeakPolarHBondContact CA-OG 3.49Å; N173-S213 PolarHBondContact OD1-OG 2.86Å; N173-S213 VanDerWaalsContact OD1-OG 3.05Å
174Y93Very high88.9Confident64 Ų6459.8 Ų59.825%0.25132%0.319SS..  trans-121.7142.1174.4-70.3-82.9000110.4V172 N177 K211 S213 D254V172-Y174 HydrophobicContact CG1-CD2 3.85Å; V172-Y174 HydrophobicContact CG1-CE2 3.39Å; Y174-N177 PolarHBondContact O-ND2 3.5Å; Y174-K211 HydrophobicContact CD1-CB 3.88Å; Y174-K211 HydrophobicContact CD1-CD 4.39Å; Y174-K211 HydrophobicContact CD1-CG 4.36Å; Y174-K211 HydrophobicContact CD2-CB 4.13Å; Y174-K211 HydrophobicContact CE1-CB 3.84Å; Y174-K211 HydrophobicContact CE1-CD 4.15Å; Y174-K211 HydrophobicContact CE1-CG 3.92Å; Y174-K211 HydrophobicContact CE2-CB 4.06Å; Y174-K211 HydrophobicContact CG-CB 4.02Å; Y174-S213 PolarHBondContact N-OG 2.74Å; Y174-S213 PolarHBondContact O-OG 3.12Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.42Å; Y174-D254 PolarHBondContact OH-OD1 3.1Å; Y174-D254 PolarHBondContact OH-OD2 2.74Å
175T93Very high90.2Very high138 Ų13852.5 Ų52.585%0.84728%0.28SS*.SBendtrans-65-45.2171.550.30000111.2
176N95.4Very high91.3Very high121 Ų12155.5 Ų55.565%0.64729%0.291SS*.SBendtrans-114.4120.8175.6-67-36.6000109.5
177N97.6Very high92.2Very high28 Ų2849.6 Ų49.615%0.1527%0.269CS..  trans-90.6117.4-179.3-73.4-92.4000109.7Y174 K211 L212 S213 Y397 P399 F400Y174-N177 PolarHBondContact O-ND2 3.5Å; N177-K211 CarbonylContact C-O 3.45Å; N177-K211 VanDerWaalsContact CA-O 3.28Å; N177-K211 WeakPolarHBondContact CA-O 3.37Å; N177-L212 HydrophobicContact CB-CD2 4.06Å; N177-L212 WeakPolarHBondContact OD1-CA 3.12Å; N177-S213 PolarHBondContact OD1-N 2.92Å; N177-S213 PolarHBondContact OD1-OG 3.14Å; N177-Y397 HydrophobicContact CB-CD2 3.57Å; N177-Y397 HydrophobicContact CB-CE2 3.68Å; N177-Y397 HydrophobicContact CB-CG 4.25Å; N177-Y397 WeakPolarHBondContact OD1-CE2 3.22Å; N177-Y397 VanDerWaalsContact OD1-CZ 3.28Å; N177-P399 HydrophobicContact CB-CB 3.95Å; N177-P399 CarbonylContact O-C 3.58Å; N177-P399 WeakPolarHBondContact O-CA 3Å; N177-P399 WeakPolarHBondContact O-CB 3.46Å; N177-F400 PolarHBondContact O-N 3Å
178E97.3Very high92.8Very high39 Ų3949.4 Ų49.418%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-143.6149.2-176.760.6-175.1-159.500111.8Y180 K211 F400E178-Y180 HydrophobicContact CB-CE2 4.09Å; E178-Y180 HydrophobicContact CG-CE2 3.81Å; E178-Y180 PolarHBondContact OE2-OH 2.85Å; E178-K211 HydrophobicContact CG-CB 3.87Å; E178-K211 HydrophobicContact CG-CD 4.04Å; E178-K211 HydrophobicContact CG-CG 4.34Å; E178-K211 PolarHBondContact N-O 2.96Å; E178-K211 CarbonylContact O-C 3.59Å; E178-K211 WeakPolarHBondContact O-CA 3.49Å; E178-K211 PolarHBondContact O-N 3.2Å; E178-K211 WeakPolarHBondContact OE1-CD 3.45Å; E178-K211 WeakPolarHBondContact OE1-CE 3.5Å; E178-K211 IonicContact OE1-NZ 2.87Å; E178-K211 PolarHBondContact OE1-NZ 3.34Å; E178-F400 CarbonylContact C-O 3.59Å; E178-F400 WeakPolarHBondContact CA-O 3.47Å; E178-F400 HydrophobicContact CB-CB 4.07Å; E178-F400 HydrophobicContact CB-CD1 4.36Å
179T97.6Very high93.1Very high0 Ų049.1 Ų49.10%027%0.269CS..EExtended strand (participates in β ladder)trans-138135.4176.7-179.60000109.2F181 L209 I210 I392 F400 K401 G402T179-F181 HydrophobicContact CG2-CE2 3.73Å; T179-F181 HydrophobicContact CG2-CZ 4.45Å; T179-F181 WeakPolarHBondContact OG1-CE2 3.47Å; T179-F181 WeakPolarHBondContact OG1-CZ 3.45Å; T179-L209 CarbonylContact C-O 3.6Å; T179-L209 WeakPolarHBondContact CA-O 3.46Å; T179-I210 WeakPolarHBondContact OG1-CD1 3.45Å; T179-I392 HydrophobicContact CG2-CD1 3.97Å; T179-F400 WeakPolarHBondContact CG2-O 3.34Å; T179-F400 PolarHBondContact N-O 2.79Å; T179-K401 HydrophobicContact CG2-CB 4.14Å; T179-K401 HydrophobicContact CG2-CG 3.7Å; T179-K401 CarbonylContact O-C 3.59Å; T179-K401 WeakPolarHBondContact O-CA 3.4Å; T179-G402 PolarHBondContact O-N 2.84Å
180Y98.2Very high94Very high63 Ų6348.2 Ų48.225%0.24727%0.269CS..EExtended strand (participates in β ladder)trans-122.4134.5175.2-57.4-91.8000109.4E178 C208 L209 F400 G402E178-Y180 HydrophobicContact CB-CE2 4.09Å; E178-Y180 HydrophobicContact CG-CE2 3.81Å; E178-Y180 PolarHBondContact OE2-OH 2.85Å; Y180-C208 VanDerWaalsContact O-CA 3.29Å; Y180-C208 WeakPolarHBondContact O-CA 3.18Å; Y180-L209 HydrophobicContact CD2-CB 4.1Å; Y180-L209 HydrophobicContact CD2-CD2 3.88Å; Y180-L209 HydrophobicContact CD2-CG 4.06Å; Y180-L209 HydrophobicContact CE2-CD2 4.24Å; Y180-L209 PolarHBondContact N-O 2.81Å; Y180-L209 PolarHBondContact O-N 3.27Å; Y180-F400 HydrophobicContact CD1-CE1 4.34Å; Y180-F400 HydrophobicContact CE1-CD1 4.11Å; Y180-F400 AromaticContact CE1-CE1 3.62Å; Y180-F400 HydrophobicContact CE1-CE1 3.62Å; Y180-G402 CarbonylContact C-O 3.59Å; Y180-G402 WeakPolarHBondContact CA-O 3.49Å
181F97.9Very high94.9Very high0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-123.9106.1174.5-58.4-87.8000108.7T179 V206 C208 I210 I218 L220 F250 L259 I387 V390 G402 V403 K404T179-F181 HydrophobicContact CG2-CE2 3.73Å; T179-F181 HydrophobicContact CG2-CZ 4.45Å; T179-F181 WeakPolarHBondContact OG1-CE2 3.47Å; T179-F181 WeakPolarHBondContact OG1-CZ 3.45Å; F181-V206 HydrophobicContact CB-CG1 4.41Å; F181-V206 HydrophobicContact CD1-CG1 4.21Å; F181-C208 WeakPolarHBondContact CD1-SG 3.45Å; F181-I210 HydrophobicContact CE1-CD1 4.4Å; F181-I210 HydrophobicContact CZ-CD1 4.23Å; F181-I218 HydrophobicContact CZ-CD1 4.45Å; F181-I218 HydrophobicContact CZ-CG2 4.32Å; F181-L220 HydrophobicContact CD1-CD1 3.62Å; F181-L220 HydrophobicContact CE1-CD1 3.87Å; F181-L220 HydrophobicContact CG-CD1 4.14Å; F181-F250 HydrophobicContact CE1-CZ 4.23Å; F181-L259 HydrophobicContact CE1-CD2 4.41Å; F181-I387 HydrophobicContact CB-CD1 3.73Å; F181-V390 HydrophobicContact CD2-CG2 4.25Å; F181-V390 HydrophobicContact CE2-CG1 3.68Å; F181-V390 HydrophobicContact CE2-CG2 4.18Å; F181-V390 HydrophobicContact CZ-CG1 4.02Å; F181-G402 PolarHBondContact N-O 2.91Å; F181-V403 HydrophobicContact CB-CG2 4.44Å; F181-V403 VanDerWaalsContact O-CA 3.29Å; F181-V403 WeakPolarHBondContact O-CA 3.31Å; F181-K404 PolarHBondContact O-N 3Å
182D97.5Very high95.5Very high50 Ų5043.9 Ų43.927%0.26723%0.225SC..EExtended strand (participates in β ladder)trans-100.8108.7179.4-69.9-3.1000108.2I184 E207 K404D182-I184 HydrophobicContact CB-CG1 4.4Å; D182-E207 HydrophobicContact CB-CB 4.34Å; D182-E207 PolarHBondContact N-O 3.14Å; D182-E207 PolarHBondContact O-N 3.31Å; D182-K404 WeakPolarHBondContact OD1-CB 3.23Å
183L97.5Very high95.8Very high0 Ų052 Ų520%025%0.254CS..EExtended strand (participates in β ladder)trans-85.7112.2173.8-169.371.6000108.2S205 V206 F222 Y262 I381 L385 K404 Y405 A406L183-S205 WeakPolarHBondContact CA-O 3.33Å; L183-V206 HydrophobicContact CD1-CG2 3.48Å; L183-V206 VanDerWaalsContact CD1-CG2 3.48Å; L183-F222 HydrophobicContact CD1-CE1 4.26Å; L183-Y262 HydrophobicContact CD1-CE1 3.56Å; L183-Y262 WeakPolarHBondContact CD1-OH 3.43Å; L183-I381 HydrophobicContact CB-CD1 4.17Å; L183-I381 HydrophobicContact CD2-CD1 3.8Å; L183-I381 HydrophobicContact CD2-CG1 3.91Å; L183-I381 HydrophobicContact CD2-CG2 4.49Å; L183-I381 HydrophobicContact CG-CD1 3.75Å; L183-I381 HydrophobicContact CG-CG1 4.38Å; L183-I381 WeakPolarHBondContact O-CD1 3.41Å; L183-L385 HydrophobicContact CD1-CD2 4.45Å; L183-L385 HydrophobicContact CD2-CB 4.48Å; L183-L385 HydrophobicContact CD2-CD2 4.36Å; L183-K404 PolarHBondContact N-O 2.86Å; L183-Y405 HydrophobicContact CB-CD1 3.81Å; L183-Y405 HydrophobicContact CB-CE1 4.05Å; L183-Y405 HydrophobicContact CD2-CD1 3.94Å; L183-Y405 HydrophobicContact CD2-CE1 3.81Å; L183-Y405 HydrophobicContact CG-CD1 4.43Å; L183-Y405 CarbonylContact O-C 3.52Å; L183-Y405 WeakPolarHBondContact O-CA 3.48Å; L183-A406 PolarHBondContact O-N 2.89Å
184I97.6Very high95.8Very high35 Ų3549.6 Ų49.618%0.17925%0.248CC..EExtended strand (participates in β ladder)trans-118.1118.9-175.2-55.5176000108.5D182 G204 S205 E207 A406 K408D182-I184 HydrophobicContact CB-CG1 4.4Å; I184-G204 CarbonylContact O-C 3.59Å; I184-G204 VanDerWaalsContact O-CA 3.25Å; I184-G204 WeakPolarHBondContact O-CA 3.31Å; I184-S205 PolarHBondContact N-O 3Å; I184-S205 PolarHBondContact O-N 3.46Å; I184-E207 HydrophobicContact CD1-CG 3.86Å; I184-A406 WeakPolarHBondContact CA-O 3.33Å; I184-K408 HydrophobicContact CG2-CD 4.46Å
185E96.6Very high95.7Very high0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-105.6138.5174-76.7-177.7176.300111.2V202 Y262 I381 V382 S383 A406 T407 K408E185-V202 HydrophobicContact CB-CG1 3.73Å; E185-V202 HydrophobicContact CG-CG1 3.62Å; E185-Y262 HydrophobicContact CG-CE2 4.47Å; E185-Y262 WeakPolarHBondContact CG-OH 3.38Å; E185-Y262 WeakPolarHBondContact OE1-CE2 3.43Å; E185-Y262 PolarHBondContact OE1-OH 2.79Å; E185-I381 HydrophobicContact CB-CD1 4.26Å; E185-I381 HydrophobicContact CG-CD1 3.81Å; E185-I381 VanDerWaalsContact OE1-CG2 3.31Å; E185-I381 WeakPolarHBondContact OE1-CG2 3.06Å; E185-I381 WeakPolarHBondContact OE2-CG2 3.31Å; E185-V382 HydrophobicContact CB-CG1 4.45Å; E185-V382 WeakPolarHBondContact OE2-CG1 3.4Å; E185-V382 PolarHBondContact OE2-N 3.31Å; E185-S383 WeakPolarHBondContact OE1-CB 3.43Å; E185-S383 PolarHBondContact OE1-OG 2.91Å; E185-S383 PolarHBondContact OE2-N 3.44Å; E185-A406 PolarHBondContact N-O 2.94Å; E185-T407 CarbonylContact O-C 3.54Å; E185-T407 VanDerWaalsContact O-CA 3.3Å; E185-T407 WeakPolarHBondContact O-CA 3.33Å; E185-K408 PolarHBondContact O-N 2.96Å
186K96.9Very high95.7Very high111 Ų11150.1 Ų50.148%0.48325%0.248SC..EExtended strand (participates in β ladder)trans-110.8130168.2-67.2-179.7-174173.50108V202 H203 K408K186-V202 WeakPolarHBondContact O-CA 3.45Å; K186-H203 PolarHBondContact N-O 3.08Å; K186-H203 PolarHBondContact O-N 2.97Å; K186-K408 CarbonylContact C-O 3.53Å; K186-K408 VanDerWaalsContact CA-O 3.28Å; K186-K408 WeakPolarHBondContact CA-O 3.31Å
187I95.3Very high95.5Very high0 Ų047.5 Ų47.50%024%0.236CC..EExtended strand (participates in β ladder)trans-104.7126.5177.3-173169.2000110.5A189 V202 L267 L272 F375 V382 T407 K408 S410 Y412I187-A189 HydrophobicContact CG1-CB 4.48Å; I187-V202 HydrophobicContact CG1-CG2 4.42Å; I187-L267 HydrophobicContact CD1-CD1 4.31Å; I187-L272 HydrophobicContact CD1-CD2 3.52Å; I187-F375 HydrophobicContact CG2-CE2 4.22Å; I187-F375 HydrophobicContact CG2-CZ 3.68Å; I187-V382 HydrophobicContact CD1-CG2 4.29Å; I187-T407 HydrophobicContact CG2-CG2 4.43Å; I187-K408 PolarHBondContact N-O 2.7Å; I187-S410 PolarHBondContact O-N 3.31Å; I187-Y412 HydrophobicContact CG2-CD2 4.21Å
188D94.7Very high95.3Very high29 Ų2950.7 Ų50.716%0.15525%0.253CS..EExtended strand (participates in β ladder)trans-104.8128.7167.1-63.9-53.5000107.4K200 E201 H203 S410 Q411D188-K200 CarbonylContact O-C 3.6Å; D188-K200 VanDerWaalsContact O-CA 3.28Å; D188-K200 WeakPolarHBondContact O-CA 3.42Å; D188-E201 PolarHBondContact N-O 3.47Å; D188-E201 PolarHBondContact O-N 2.98Å; D188-H203 IonicContact OD2-CD2 3.58Å; D188-H203 PolarHBondContact OD2-CD2 2.79Å; D188-H203 IonicContact OD2-NE2 3.67Å; D188-H203 PolarHBondContact OD2-NE2 3.25Å; D188-S410 WeakPolarHBondContact OD1-CB 3.4Å; D188-S410 PolarHBondContact OD1-OG 3.17Å; D188-Q411 CarbonylContact C-O 3.48Å; D188-Q411 WeakPolarHBondContact CA-O 3.47Å; D188-Q411 WeakPolarHBondContact OD1-CA 3.43Å; D188-Q411 WeakPolarHBondContact OD1-CB 3.46Å; D188-Q411 PolarHBondContact OD1-N 2.67Å
189A94.8Very high95.1Very high1 Ų151 Ų511%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-150.5137.3-177.700000111.1I187 S199 K200 L272 Q411 Y412 E413I187-A189 HydrophobicContact CG1-CB 4.48Å; A189-S199 CarbonylContact C-O 3.44Å; A189-S199 VanDerWaalsContact CA-O 3.31Å; A189-S199 WeakPolarHBondContact CA-O 3.43Å; A189-K200 HydrophobicContact CB-CB 4.4Å; A189-L272 HydrophobicContact CB-CD1 4.06Å; A189-L272 HydrophobicContact CB-CD2 3.79Å; A189-Q411 PolarHBondContact N-O 2.84Å; A189-Y412 HydrophobicContact CB-CD2 3.97Å; A189-Y412 HydrophobicContact CB-CE2 4.04Å; A189-Y412 HydrophobicContact CB-CG 4.37Å; A189-Y412 WeakPolarHBondContact O-CA 3.5Å; A189-E413 PolarHBondContact O-N 3.3Å
190I95.6Very high94.8Very high45 Ų4553.4 Ų53.423%0.23127%0.269CS..EExtended strand (participates in β ladder)trans-119.2120.1172.6-56.3175.9000107.8I198 S199 E413I190-I198 HydrophobicContact CB-CB 4.39Å; I190-I198 HydrophobicContact CG2-CB 4.3Å; I190-I198 HydrophobicContact CG2-CD1 4.01Å; I190-I198 PolarHBondContact O-N 3.39Å; I190-S199 PolarHBondContact N-O 2.84Å; I190-S199 PolarHBondContact O-N 3.23Å; I190-E413 WeakPolarHBondContact CA-O 3.49Å
191V95.8Very high94.6Very high11 Ų1154 Ų547%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-111.1135177.3-172.20000109.1Y196 L272 E413 V414 R415V191-Y196 CarbonylContact C-O 3.52Å; V191-Y196 WeakPolarHBondContact CA-O 3.22Å; V191-Y196 WeakPolarHBondContact CG1-O 3.49Å; V191-L272 HydrophobicContact CG2-CD1 3.68Å; V191-E413 PolarHBondContact N-O 3.46Å; V191-V414 HydrophobicContact CB-CB 4.5Å; V191-V414 HydrophobicContact CB-CG1 4.32Å; V191-V414 HydrophobicContact CB-CG2 4.15Å; V191-V414 HydrophobicContact CG2-CG2 4.33Å; V191-R415 PolarHBondContact O-N 2.9Å
192D94.8Very high94.4Very high39 Ų3954 Ų5421%0.20927%0.274CS..  trans-79.2172.917680.94.6000112.8S194 G195 Y196 I198 R415D192-S194 PolarHBondContact O-N 2.95Å; D192-S194 VanDerWaalsContact O-N 3.13Å; D192-S194 VanDerWaalsContact OD1-CA 3.31Å; D192-S194 WeakPolarHBondContact OD1-CA 3.35Å; D192-S194 WeakPolarHBondContact OD1-CB 3.45Å; D192-S194 PolarHBondContact OD1-N 2.91Å; D192-G195 PolarHBondContact O-N 2.92Å; D192-G195 PolarHBondContact OD1-N 3.49Å; D192-Y196 PolarHBondContact N-O 2.95Å; D192-Y196 PolarHBondContact OD1-N 2.64Å; D192-I198 HydrophobicContact CB-CD1 3.72Å; D192-I198 HydrophobicContact CB-CG1 4Å; D192-R415 CarbonylContact C-O 3.46Å
193R92.1Very high94.4Very high185 Ų18555.3 Ų55.370%0.69828%0.278SS*.THydrogen-bonded Turntrans-61.5-18.2178.664.3-179.8169-170.6-4.7115.1R415R193-R415 WeakPolarHBondContact CA-O 3.49Å; R193-R415 PolarHBondContact N-O 2.79Å; R193-R415 VanDerWaalsContact N-O 3.13Å
194S92.4Very high94.3Very high83 Ų8355.5 Ų55.558%0.5828%0.281SS*.THydrogen-bonded Turntrans-92.7-5.1177.9-65.70000112D192D192-S194 PolarHBondContact O-N 2.95Å; D192-S194 VanDerWaalsContact O-N 3.13Å; D192-S194 VanDerWaalsContact OD1-CA 3.31Å; D192-S194 WeakPolarHBondContact OD1-CA 3.35Å; D192-S194 WeakPolarHBondContact OD1-CB 3.45Å; D192-S194 PolarHBondContact OD1-N 2.91Å
195G90.7Very high94.3Very high43 Ų4354.7 Ų54.744%0.44328%0.278SS..SBendtrans86.89.5-177.200000114D192D192-G195 PolarHBondContact O-N 2.92Å; D192-G195 PolarHBondContact OD1-N 3.49Å
196Y92.6Very high94.3Very high170 Ų17054.7 Ų54.767%0.66728%0.278SS*.  trans-81139.5173.6-62.4-70.3000110.7V191 D192 I198V191-Y196 CarbonylContact C-O 3.52Å; V191-Y196 WeakPolarHBondContact CA-O 3.22Å; V191-Y196 WeakPolarHBondContact CG1-O 3.49Å; D192-Y196 PolarHBondContact N-O 2.95Å; D192-Y196 PolarHBondContact OD1-N 2.64Å; Y196-I198 PolarHBondContact O-N 3.41Å
197V92.5Very high94.4Very high65 Ų6552.6 Ų52.639%0.39427%0.27SS..EExtended strand (participates in β ladder)trans-80.3113.9176.6-174.70000108.6S199 K200 L272V197-S199 VanDerWaalsContact CG1-O 3.31Å; V197-S199 WeakPolarHBondContact CG1-O 3.49Å; V197-K200 HydrophobicContact CG1-CB 3.84Å; V197-K200 HydrophobicContact CG1-CD 4.05Å; V197-K200 HydrophobicContact CG1-CG 3.88Å; V197-L272 HydrophobicContact CG1-CD1 4.24Å; V197-L272 HydrophobicContact CG2-CD1 3.58Å; V197-L272 HydrophobicContact CG2-CG 4.12Å
198I93.6Very high94.5Very high96 Ų9652.9 Ų52.949%0.49227%0.272SS..EExtended strand (participates in β ladder)trans-76.4-48.6175.2-64.1168.4000109.8I190 D192 Y196I190-I198 HydrophobicContact CB-CB 4.39Å; I190-I198 HydrophobicContact CG2-CB 4.3Å; I190-I198 HydrophobicContact CG2-CD1 4.01Å; I190-I198 PolarHBondContact O-N 3.39Å; D192-I198 HydrophobicContact CB-CD1 3.72Å; D192-I198 HydrophobicContact CB-CG1 4Å; Y196-I198 PolarHBondContact O-N 3.41Å
199S92.4Very high94.6Very high44 Ų4453.7 Ų53.731%0.30828%0.276SS..EExtended strand (participates in β ladder)trans-141145.8178.4178.10000109.7A189 I190 V197A189-S199 CarbonylContact C-O 3.44Å; A189-S199 VanDerWaalsContact CA-O 3.31Å; A189-S199 WeakPolarHBondContact CA-O 3.43Å; I190-S199 PolarHBondContact N-O 2.84Å; I190-S199 PolarHBondContact O-N 3.23Å; V197-S199 VanDerWaalsContact CG1-O 3.31Å; V197-S199 WeakPolarHBondContact CG1-O 3.49Å
200K91.9Very high94.7Very high51 Ų5153.6 Ų53.622%0.22228%0.276CS..EExtended strand (participates in β ladder)trans-151.4127.2169.157.6174.5-177.1175.80109.7D188 A189 V197 L267 V270 L272D188-K200 CarbonylContact O-C 3.6Å; D188-K200 VanDerWaalsContact O-CA 3.28Å; D188-K200 WeakPolarHBondContact O-CA 3.42Å; A189-K200 HydrophobicContact CB-CB 4.4Å; V197-K200 HydrophobicContact CG1-CB 3.84Å; V197-K200 HydrophobicContact CG1-CD 4.05Å; V197-K200 HydrophobicContact CG1-CG 3.88Å; K200-L267 HydrophobicContact CB-CD1 4.35Å; K200-L267 HydrophobicContact CD-CB 3.88Å; K200-L267 HydrophobicContact CD-CD1 3.97Å; K200-L267 HydrophobicContact CG-CB 4.42Å; K200-L267 HydrophobicContact CG-CD1 4.3Å; K200-V270 PolarHBondContact NZ-O 2.61Å; K200-L272 HydrophobicContact CB-CD2 4.01Å; K200-L272 HydrophobicContact CD-CD2 4.22Å
201E93Very high94.7Very high75 Ų7554.7 Ų54.735%0.3528%0.279SS..EExtended strand (participates in β ladder)trans-138.7155.3-179.3-68.4-179.4178.800109.3D188 H263D188-E201 PolarHBondContact N-O 3.47Å; D188-E201 PolarHBondContact O-N 2.98Å; E201-H263 IonicContact OE2-NE2 2.86Å
202V94.9Very high94.7Very high0 Ų054.2 Ų54.20%028%0.276CS..EExtended strand (participates in β ladder)trans-129.3125.3177.6179.20000110.2E185 K186 I187 H263 V264 L267 V382E185-V202 HydrophobicContact CB-CG1 3.73Å; E185-V202 HydrophobicContact CG-CG1 3.62Å; K186-V202 WeakPolarHBondContact O-CA 3.45Å; I187-V202 HydrophobicContact CG1-CG2 4.42Å; V202-H263 WeakPolarHBondContact O-CA 3.47Å; V202-H263 PolarHBondContact O-CD2 2.92Å; V202-V264 HydrophobicContact CB-CB 4.23Å; V202-V264 PolarHBondContact N-O 2.64Å; V202-V264 VanDerWaalsContact N-O 3.09Å; V202-V264 PolarHBondContact O-N 3.34Å; V202-L267 HydrophobicContact CG2-CD1 3.59Å; V202-L267 HydrophobicContact CG2-CD2 3.79Å; V202-L267 HydrophobicContact CG2-CG 3.86Å; V202-V382 HydrophobicContact CG1-CG1 4.13Å; V202-V382 HydrophobicContact CG2-CG1 3.67Å
203H95.8Very high94.8Very high78 Ų7853 Ų5336%0.36127%0.27SS..EExtended strand (participates in β ladder)trans-106.4116.2170.9-58.3-79.3000108.5K186 D188 H263K186-H203 PolarHBondContact N-O 3.08Å; K186-H203 PolarHBondContact O-N 2.97Å; D188-H203 IonicContact OD2-CD2 3.58Å; D188-H203 PolarHBondContact OD2-CD2 2.79Å; D188-H203 IonicContact OD2-NE2 3.67Å; D188-H203 PolarHBondContact OD2-NE2 3.25Å; H203-H263 AromaticContact CE1-CD2 3.49Å; H203-H263 PolarHBondContact CE1-CD2 3.03Å; H203-H263 VanDerWaalsContact CE1-CD2 3.49Å; H203-H263 AromaticContact ND1-CD2 3.71Å
204G96.4Very high94.8Very high5 Ų545.1 Ų45.15%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-112.4151.5179.800000112.8I184 N261 Y262I184-G204 CarbonylContact O-C 3.59Å; I184-G204 VanDerWaalsContact O-CA 3.25Å; I184-G204 WeakPolarHBondContact O-CA 3.31Å; G204-N261 CarbonylContact O-C 3.53Å; G204-N261 VanDerWaalsContact O-CA 3.31Å; G204-N261 WeakPolarHBondContact O-CA 3.47Å; G204-Y262 VanDerWaalsContact C-CE1 3.42Å; G204-Y262 VanDerWaalsContact CA-CE1 3.44Å; G204-Y262 PolarHBondContact N-O 2.89Å; G204-Y262 WeakPolarHBondContact O-CD1 3.48Å; G204-Y262 PolarHBondContact O-N 3.05Å
205S97.5Very high94.8Very high17 Ų1744.8 Ų44.812%0.11924%0.241CC..EExtended strand (participates in β ladder)trans-134.4151.317175.90000111.4L183 I184 E207 F260 N261L183-S205 WeakPolarHBondContact CA-O 3.33Å; I184-S205 PolarHBondContact N-O 3Å; I184-S205 PolarHBondContact O-N 3.46Å; S205-E207 VanDerWaalsContact CB-OE1 3.26Å; S205-E207 WeakPolarHBondContact CB-OE1 3.44Å; S205-E207 PolarHBondContact OG-OE1 3.3Å; S205-F260 CarbonylContact C-O 3.53Å; S205-F260 WeakPolarHBondContact CA-O 3.34Å; S205-N261 WeakPolarHBondContact CB-OD1 3.39Å
206V97.7Very high95Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-107.898.3169.7-178.30000107.8F181 L183 F222 L259 F260F181-V206 HydrophobicContact CB-CG1 4.41Å; F181-V206 HydrophobicContact CD1-CG1 4.21Å; L183-V206 HydrophobicContact CD1-CG2 3.48Å; L183-V206 VanDerWaalsContact CD1-CG2 3.48Å; V206-F222 HydrophobicContact CG2-CE1 4.22Å; V206-F222 HydrophobicContact CG2-CZ 3.95Å; V206-L259 HydrophobicContact CB-CB 4.37Å; V206-L259 HydrophobicContact CG1-CB 4.31Å; V206-L259 HydrophobicContact CG1-CD2 4.16Å; V206-L259 PolarHBondContact O-N 2.94Å; V206-F260 HydrophobicContact CB-CB 4.27Å; V206-F260 HydrophobicContact CG2-CB 4.31Å; V206-F260 HydrophobicContact CG2-CD1 3.93Å; V206-F260 PolarHBondContact N-O 2.83Å
207E97.2Very high95.2Very high67 Ų6736.4 Ų36.431%0.31320%0.198SC..EExtended strand (participates in β ladder)trans-84.8125.7175.3-57-53.1146.500109.8D182 I184 S205 C258D182-E207 HydrophobicContact CB-CB 4.34Å; D182-E207 PolarHBondContact N-O 3.14Å; D182-E207 PolarHBondContact O-N 3.31Å; I184-E207 HydrophobicContact CD1-CG 3.86Å; S205-E207 VanDerWaalsContact CB-OE1 3.26Å; S205-E207 WeakPolarHBondContact CB-OE1 3.44Å; S205-E207 PolarHBondContact OG-OE1 3.3Å; E207-C258 PolarHBondContact OE1-SG 2.77Å; E207-C258 VanDerWaalsContact OE1-SG 3.37Å; E207-C258 WeakPolarHBondContact OE2-CB 2.97Å
208C97.8Very high95.4Very high7 Ų733.3 Ų33.35%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-108.4144.7-177.2-69.20000111.3Y180 F181 I210 K256 F257 L259Y180-C208 VanDerWaalsContact O-CA 3.29Å; Y180-C208 WeakPolarHBondContact O-CA 3.18Å; F181-C208 WeakPolarHBondContact CD1-SG 3.45Å; C208-I210 HydrophobicContact CB-CD1 4.19Å; C208-I210 HydrophobicContact CB-CG1 4.17Å; C208-K256 VanDerWaalsContact O-CA 3.28Å; C208-K256 WeakPolarHBondContact O-CA 3.41Å; C208-F257 HydrophobicContact CB-CD1 3.92Å; C208-F257 HydrophobicContact CB-CE1 3.55Å; C208-F257 HydrophobicContact CB-CE2 4.4Å; C208-F257 HydrophobicContact CB-CG 4.49Å; C208-F257 HydrophobicContact CB-CZ 3.77Å; C208-F257 WeakPolarHBondContact CB-O 3.35Å; C208-F257 PolarHBondContact N-O 3.16Å; C208-F257 PolarHBondContact O-N 2.82Å; C208-F257 VanDerWaalsContact O-N 3.14Å; C208-L259 VanDerWaalsContact SG-CB 3.57Å
209L97Very high95.6Very high45 Ų4529.2 Ų29.224%0.23616%0.158CC..EExtended strand (participates in β ladder)trans-125.6110158.5170.763.5000108.2T179 Y180 K211 K256T179-L209 CarbonylContact C-O 3.6Å; T179-L209 WeakPolarHBondContact CA-O 3.46Å; Y180-L209 HydrophobicContact CD2-CB 4.1Å; Y180-L209 HydrophobicContact CD2-CD2 3.88Å; Y180-L209 HydrophobicContact CD2-CG 4.06Å; Y180-L209 HydrophobicContact CE2-CD2 4.24Å; Y180-L209 PolarHBondContact N-O 2.81Å; Y180-L209 PolarHBondContact O-N 3.27Å; L209-K211 HydrophobicContact CD1-CG 4.46Å; L209-K256 HydrophobicContact CB-CG 4.5Å; L209-K256 HydrophobicContact CD1-CG 3.75Å
210I96.8Very high95.8Very high0 Ų027.1 Ų27.10%014%0.144CC..EExtended strand (participates in β ladder)trans-110.1119.3-175.3-55.3-55.8000109.5T179 F181 C208 L212 P252 G255 F257T179-I210 WeakPolarHBondContact OG1-CD1 3.45Å; F181-I210 HydrophobicContact CE1-CD1 4.4Å; F181-I210 HydrophobicContact CZ-CD1 4.23Å; C208-I210 HydrophobicContact CB-CD1 4.19Å; C208-I210 HydrophobicContact CB-CG1 4.17Å; I210-L212 HydrophobicContact CG2-CB 4.04Å; I210-L212 HydrophobicContact CG2-CD1 3.81Å; I210-L212 HydrophobicContact CG2-CG 3.73Å; I210-P252 HydrophobicContact CB-CB 4.48Å; I210-P252 HydrophobicContact CG1-CB 3.93Å; I210-P252 HydrophobicContact CG1-CG 4.41Å; I210-P252 HydrophobicContact CG2-CB 4.12Å; I210-P252 HydrophobicContact CG2-CG 3.77Å; I210-G255 PolarHBondContact N-O 2.71Å; I210-G255 WeakPolarHBondContact O-CA 3.41Å; I210-G255 PolarHBondContact O-N 2.71Å; I210-F257 HydrophobicContact CB-CE1 4.49Å; I210-F257 HydrophobicContact CG1-CD1 4.45Å; I210-F257 HydrophobicContact CG1-CE1 3.54Å; I210-F257 HydrophobicContact CG1-CZ 4.3Å
211K96.3Very high96.1Very high68 Ų6825.9 Ų25.930%0.29614%0.143SC..EExtended strand (participates in β ladder)trans-126.877171.2-62.2-173.3-162.71580108.5Y174 N177 E178 L209Y174-K211 HydrophobicContact CD1-CB 3.88Å; Y174-K211 HydrophobicContact CD1-CD 4.39Å; Y174-K211 HydrophobicContact CD1-CG 4.36Å; Y174-K211 HydrophobicContact CD2-CB 4.13Å; Y174-K211 HydrophobicContact CE1-CB 3.84Å; Y174-K211 HydrophobicContact CE1-CD 4.15Å; Y174-K211 HydrophobicContact CE1-CG 3.92Å; Y174-K211 HydrophobicContact CE2-CB 4.06Å; Y174-K211 HydrophobicContact CG-CB 4.02Å; N177-K211 CarbonylContact C-O 3.45Å; N177-K211 VanDerWaalsContact CA-O 3.28Å; N177-K211 WeakPolarHBondContact CA-O 3.37Å; E178-K211 HydrophobicContact CG-CB 3.87Å; E178-K211 HydrophobicContact CG-CD 4.04Å; E178-K211 HydrophobicContact CG-CG 4.34Å; E178-K211 PolarHBondContact N-O 2.96Å; E178-K211 CarbonylContact O-C 3.59Å; E178-K211 WeakPolarHBondContact O-CA 3.49Å; E178-K211 PolarHBondContact O-N 3.2Å; E178-K211 WeakPolarHBondContact OE1-CD 3.45Å; E178-K211 WeakPolarHBondContact OE1-CE 3.5Å; E178-K211 IonicContact OE1-NZ 2.87Å; E178-K211 PolarHBondContact OE1-NZ 3.34Å; L209-K211 HydrophobicContact CD1-CG 4.46Å
212L96.3Very high96.2Very high0 Ų022.8 Ų22.80%013%0.129CC..  trans-123.5137.6-175-64.6-178000109.2R168 V172 N177 I210 P216 I218 I392 Y397 P399R168-L212 PolarHBondContact NH2-O 2.83Å; V172-L212 VanDerWaalsContact CG1-O 3.24Å; V172-L212 WeakPolarHBondContact CG1-O 3.33Å; N177-L212 HydrophobicContact CB-CD2 4.06Å; N177-L212 WeakPolarHBondContact OD1-CA 3.12Å; I210-L212 HydrophobicContact CG2-CB 4.04Å; I210-L212 HydrophobicContact CG2-CD1 3.81Å; I210-L212 HydrophobicContact CG2-CG 3.73Å; L212-P216 HydrophobicContact CB-CG 3.76Å; L212-P216 HydrophobicContact CD1-CB 3.98Å; L212-P216 HydrophobicContact CD1-CG 3.68Å; L212-P216 HydrophobicContact CG-CG 4.39Å; L212-I218 HydrophobicContact CD1-CD1 3.85Å; L212-I392 HydrophobicContact CD1-CD1 4.14Å; L212-Y397 WeakPolarHBondContact CB-OH 3.28Å; L212-Y397 HydrophobicContact CD2-CE2 4.01Å; L212-P399 HydrophobicContact CD2-CB 3.53Å; L212-P399 HydrophobicContact CD2-CG 4.16Å
213S95.2Very high96Very high14 Ų1425.6 Ų25.610%0.09815%0.146CC..SBendtrans-74154.7174-60.90000111V172 N173 Y174 N177 Y397V172-S213 CarbonylContact O-C 3.57Å; V172-S213 WeakPolarHBondContact O-CA 3.45Å; N173-S213 WeakPolarHBondContact CA-OG 3.49Å; N173-S213 PolarHBondContact OD1-OG 2.86Å; N173-S213 VanDerWaalsContact OD1-OG 3.05Å; Y174-S213 PolarHBondContact N-OG 2.74Å; Y174-S213 PolarHBondContact O-OG 3.12Å; N177-S213 PolarHBondContact OD1-N 2.92Å; N177-S213 PolarHBondContact OD1-OG 3.14Å; S213-Y397 PolarHBondContact N-OH 3.18Å; S213-Y397 PolarHBondContact O-OH 2.7Å
214G92.5Very high95.7Very high20 Ų2026.5 Ų26.521%0.20615%0.154CC..SBendtrans67-143.3173.600000113.9R168 V172 P216 E395R168-G214 PolarHBondContact NE-O 2.97Å; R168-G214 PolarHBondContact NH2-O 3.15Å; V172-G214 PolarHBondContact O-N 3.27Å; G214-P216 VanDerWaalsContact C-CD 3.43Å; G214-P216 WeakPolarHBondContact O-CD 3.26Å; G214-E395 WeakPolarHBondContact CA-OE1 3.45Å
215T92.9Very high95.5Very high75 Ų7529.5 Ų29.546%0.4617%0.166SC..  trans-123.567.8-175.7540000110.3E395T215-E395 PolarHBondContact N-OE1 3.01Å
216P95.1Very high95.1Very high0 Ų039.2 Ų39.20%020%0.2CC..  trans-65.1138.9-177.429.4-36.7000110.8L212 G214 I251 P252 I392 E395L212-P216 HydrophobicContact CB-CG 3.76Å; L212-P216 HydrophobicContact CD1-CB 3.98Å; L212-P216 HydrophobicContact CD1-CG 3.68Å; L212-P216 HydrophobicContact CG-CG 4.39Å; G214-P216 VanDerWaalsContact C-CD 3.43Å; G214-P216 WeakPolarHBondContact O-CD 3.26Å; P216-I251 WeakPolarHBondContact O-CA 3.46Å; P216-P252 HydrophobicContact CG-CG 4.18Å; P216-P252 VanDerWaalsContact O-CD 3.24Å; P216-P252 WeakPolarHBondContact O-CD 3.05Å; P216-I392 HydrophobicContact CB-CG2 3.9Å; P216-E395 HydrophobicContact CB-CG 4.1Å
217D95.6Very high94.7Very high38 Ų3841.8 Ų41.820%0.20321%0.213CC..EExtended strand (participates in β ladder)trans-103.1121.7171.1-168.2-20.3000108.6R238 I251 I392 Y393D217-R238 IonicContact OD1-CZ 3.25Å; D217-R238 IonicContact OD1-NH1 2.89Å; D217-R238 PolarHBondContact OD1-NH1 3.44Å; D217-R238 IonicContact OD1-NH2 2.71Å; D217-R238 IonicContact OD2-CZ 2.66Å; D217-R238 VanDerWaalsContact OD2-CZ 3.25Å; D217-R238 IonicContact OD2-NH1 3.59Å; D217-R238 PolarHBondContact OD2-NH1 3.5Å; D217-R238 IonicContact OD2-NH2 3.62Å; D217-R238 PolarHBondContact OD2-NH2 3.11Å; D217-I251 HydrophobicContact CB-CG1 4.41Å; D217-I392 CarbonylContact O-C 3.54Å; D217-I392 WeakPolarHBondContact O-CA 3.49Å; D217-Y393 PolarHBondContact N-O 2.94Å; D217-Y393 WeakPolarHBondContact O-CD2 3.44Å; D217-Y393 PolarHBondContact O-N 2.96Å
218I97.6Very high94.5Very high0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-111.4138.5-173.3-53.7-167.9000109.5F181 L212 S249 F250 P252 V390 D391 I392F181-I218 HydrophobicContact CZ-CD1 4.45Å; F181-I218 HydrophobicContact CZ-CG2 4.32Å; L212-I218 HydrophobicContact CD1-CD1 3.85Å; I218-S249 WeakPolarHBondContact O-CA 3.42Å; I218-F250 HydrophobicContact CB-CD2 4.29Å; I218-F250 HydrophobicContact CB-CE1 4.32Å; I218-F250 HydrophobicContact CB-CE2 3.86Å; I218-F250 HydrophobicContact CB-CZ 3.87Å; I218-F250 HydrophobicContact CD1-CE2 4.23Å; I218-F250 HydrophobicContact CG1-CE2 4.42Å; I218-F250 HydrophobicContact CG2-CE1 4.19Å; I218-F250 HydrophobicContact CG2-CE2 4.13Å; I218-F250 HydrophobicContact CG2-CZ 3.69Å; I218-F250 PolarHBondContact N-O 3.23Å; I218-F250 PolarHBondContact O-N 2.82Å; I218-P252 HydrophobicContact CD1-CB 4.45Å; I218-P252 HydrophobicContact CD1-CG 3.72Å; I218-P252 HydrophobicContact CG1-CG 4.24Å; I218-V390 HydrophobicContact CG2-CG1 4.04Å; I218-D391 WeakPolarHBondContact CA-O 3.26Å; I218-D391 WeakPolarHBondContact CG2-O 3.42Å; I218-I392 HydrophobicContact CD1-CD1 4.29Å; I218-I392 HydrophobicContact CD1-CG1 4.27Å; I218-I392 HydrophobicContact CG1-CG1 4.06Å; I218-I392 HydrophobicContact CG2-CG1 4.43Å
219T97.8Very high94Very high9 Ų942.4 Ų42.46%0.05522%0.218CC..EExtended strand (participates in β ladder)trans-116.6130.7162.259.20000111.2I247 L248 V390 D391 Y393T219-I247 HydrophobicContact CG2-CG2 4.26Å; T219-L248 CarbonylContact C-O 3.56Å; T219-L248 VanDerWaalsContact CA-O 3.23Å; T219-L248 WeakPolarHBondContact CA-O 3.42Å; T219-V390 CarbonylContact O-C 3.59Å; T219-V390 WeakPolarHBondContact O-CA 3.46Å; T219-D391 PolarHBondContact N-O 2.65Å; T219-D391 PolarHBondContact O-N 3.15Å; T219-Y393 HydrophobicContact CG2-CE2 3.93Å
220L97.6Very high93.8Very high0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-123.8126.3175.9-174.3163000109.1F181 F222 L248 F250 L259 I387 R389 V390F181-L220 HydrophobicContact CD1-CD1 3.62Å; F181-L220 HydrophobicContact CE1-CD1 3.87Å; F181-L220 HydrophobicContact CG-CD1 4.14Å; L220-F222 HydrophobicContact CD2-CD1 4.18Å; L220-F222 HydrophobicContact CD2-CD2 4.13Å; L220-F222 HydrophobicContact CD2-CE1 3.8Å; L220-F222 HydrophobicContact CD2-CE2 3.75Å; L220-F222 HydrophobicContact CD2-CG 4.34Å; L220-F222 HydrophobicContact CD2-CZ 3.57Å; L220-L248 HydrophobicContact CB-CB 4.26Å; L220-L248 HydrophobicContact CD2-CD1 4.16Å; L220-L248 PolarHBondContact N-O 3.31Å; L220-L248 PolarHBondContact O-N 2.98Å; L220-F250 HydrophobicContact CB-CE1 4.28Å; L220-L259 HydrophobicContact CD1-CD2 4.25Å; L220-I387 HydrophobicContact CD1-CD1 4.06Å; L220-I387 HydrophobicContact CD1-CG2 4.46Å; L220-I387 HydrophobicContact CD2-CG1 4.23Å; L220-I387 HydrophobicContact CD2-CG2 4.26Å; L220-I387 HydrophobicContact CG-CG2 4.05Å; L220-R389 WeakPolarHBondContact CA-O 3.29Å; L220-V390 HydrophobicContact CD1-CG2 4.33Å; L220-V390 HydrophobicContact CG-CG2 4.16Å
221A96.5Very high93.6Very high26 Ų2647.7 Ų47.722%0.21525%0.253CS..EExtended strand (participates in β ladder)trans-119.4141.8177.700000110.9I247 A388 R389A221-I247 HydrophobicContact CB-CG1 4.36Å; A221-A388 PolarHBondContact O-N 2.93Å; A221-R389 PolarHBondContact N-O 3.22Å; A221-R389 PolarHBondContact O-N 3.17Å
222F95.6Very high93.4Very high10 Ų1049.5 Ų49.54%0.04427%0.266CS..EExtended strand (participates in β ladder)trans-100141.6176.2-60.5-81.2000112L183 V206 L220 H225 I228 L248 F260 L385 K386 I387L183-F222 HydrophobicContact CD1-CE1 4.26Å; V206-F222 HydrophobicContact CG2-CE1 4.22Å; V206-F222 HydrophobicContact CG2-CZ 3.95Å; L220-F222 HydrophobicContact CD2-CD1 4.18Å; L220-F222 HydrophobicContact CD2-CD2 4.13Å; L220-F222 HydrophobicContact CD2-CE1 3.8Å; L220-F222 HydrophobicContact CD2-CE2 3.75Å; L220-F222 HydrophobicContact CD2-CG 4.34Å; L220-F222 HydrophobicContact CD2-CZ 3.57Å; F222-H225 HydrophobicContact CB-CB 4.29Å; F222-I228 HydrophobicContact CD2-CD1 4.08Å; F222-I228 HydrophobicContact CE2-CD1 4.42Å; F222-L248 HydrophobicContact CE2-CD1 3.78Å; F222-L248 HydrophobicContact CE2-CG 4.09Å; F222-L248 HydrophobicContact CZ-CD1 4.08Å; F222-F260 HydrophobicContact CE2-CD1 4.44Å; F222-F260 HydrophobicContact CE2-CE1 4.15Å; F222-F260 HydrophobicContact CZ-CD1 4.12Å; F222-F260 HydrophobicContact CZ-CE1 4.1Å; F222-L385 HydrophobicContact CB-CD1 3.77Å; F222-L385 HydrophobicContact CB-CG 4.29Å; F222-L385 HydrophobicContact CD1-CD1 4.2Å; F222-L385 HydrophobicContact CD1-CD2 3.79Å; F222-L385 HydrophobicContact CD1-CG 3.82Å; F222-L385 HydrophobicContact CE1-CD2 3.98Å; F222-L385 HydrophobicContact CE1-CG 4.47Å; F222-L385 HydrophobicContact CG-CD1 4.1Å; F222-L385 HydrophobicContact CG-CD2 4.3Å; F222-L385 HydrophobicContact CG-CG 4.24Å; F222-K386 CarbonylContact C-O 3.39Å; F222-K386 VanDerWaalsContact CA-O 3.23Å; F222-K386 WeakPolarHBondContact CA-O 2.96Å; F222-I387 HydrophobicContact CD1-CG1 4.17Å; F222-I387 HydrophobicContact CE1-CG1 3.97Å
223T91.6Very high93.3Very high59 Ų5950.8 Ų50.836%0.36227%0.272SS..EExtended strand (participates in β ladder)trans-68.5140.2158.8-51.20000108.3H225 L385 K386 A388T223-H225 VanDerWaalsContact C-N 3.27Å; T223-H225 PolarHBondContact O-N 3.21Å; T223-L385 WeakPolarHBondContact O-CD1 3.46Å; T223-K386 PolarHBondContact N-O 2.79Å; T223-A388 WeakPolarHBondContact OG1-CB 3.34Å
224N89Confident93.2Very high97 Ų9751.5 Ų51.552%0.51927%0.274SS..THydrogen-bonded Turntrans55.938.1178.8-57.6-26.4000113.8R226 L227N224-R226 PolarHBondContact O-N 2.96Å; N224-L227 HydrophobicContact CB-CD1 3.69Å; N224-L227 HydrophobicContact CB-CG 4.12Å; N224-L227 WeakPolarHBondContact O-CB 3.42Å; N224-L227 WeakPolarHBondContact O-CG 3.28Å; N224-L227 PolarHBondContact O-N 2.81Å
225H91.4Very high93.1Very high67 Ų6754.7 Ų54.731%0.3129%0.291SS..G310 helixtrans-53.9-13.3177.969.580.4000114.9F222 T223 L227 I228 R246F222-H225 HydrophobicContact CB-CB 4.29Å; T223-H225 VanDerWaalsContact C-N 3.27Å; T223-H225 PolarHBondContact O-N 3.21Å; H225-L227 PolarHBondContact O-N 3.44Å; H225-I228 PolarHBondContact O-N 3.44Å; H225-R246 HydrophobicContact CB-CB 4.39Å
226R90.4Very high93.2Very high221 Ų22151.3 Ų51.383%0.83427%0.27SS*.G310 helixtrans-70.5-17175.3-61-177.3-177.3-174.7-0.9113.6N224 I228N224-R226 PolarHBondContact O-N 2.96Å; R226-I228 PolarHBondContact O-N 3.38Å
227L88.9Confident93.2Very high54 Ų5451.8 Ų51.828%0.28327%0.273SS..G310 helixtrans-73.4-15.5176.1-63.6171.7000112.7N224 H225 D229 V264 S383N224-L227 HydrophobicContact CB-CD1 3.69Å; N224-L227 HydrophobicContact CB-CG 4.12Å; N224-L227 WeakPolarHBondContact O-CB 3.42Å; N224-L227 WeakPolarHBondContact O-CG 3.28Å; N224-L227 PolarHBondContact O-N 2.81Å; H225-L227 PolarHBondContact O-N 3.44Å; L227-D229 PolarHBondContact O-N 3.33Å; L227-V264 WeakPolarHBondContact O-CG1 3.34Å; L227-V264 WeakPolarHBondContact O-CG2 3.29Å; L227-S383 VanDerWaalsContact CD1-O 3.26Å; L227-S383 WeakPolarHBondContact CD1-O 3.37Å
228I91.8Very high93.2Very high12 Ų1254.5 Ų54.56%0.06228%0.28CS..  trans-80.9106.1179.6-62.8163.6000107.5F222 H225 R226 A231 W242 F260 Y262 L385F222-I228 HydrophobicContact CD2-CD1 4.08Å; F222-I228 HydrophobicContact CE2-CD1 4.42Å; H225-I228 PolarHBondContact O-N 3.44Å; R226-I228 PolarHBondContact O-N 3.38Å; I228-A231 HydrophobicContact CG2-CB 4.12Å; I228-W242 HydrophobicContact CD1-CH2 3.85Å; I228-W242 HydrophobicContact CG2-CZ2 4.29Å; I228-F260 HydrophobicContact CD1-CE1 4.31Å; I228-F260 HydrophobicContact CD1-CZ 4.01Å; I228-F260 HydrophobicContact CG2-CZ 4.05Å; I228-Y262 HydrophobicContact CG1-CD2 4.43Å; I228-L385 HydrophobicContact CD1-CD1 3.93Å; I228-L385 HydrophobicContact CD1-CD2 4.15Å; I228-L385 HydrophobicContact CG1-CD1 4.05Å; I228-L385 HydrophobicContact CG1-CD2 4.23Å
229D88.5Confident93Very high75 Ų7560.3 Ų60.340%0.40131%0.306SS..  trans-78.7-57177.9-64.3-42.2000109.8L227 H263 S265L227-D229 PolarHBondContact O-N 3.33Å; D229-H263 PolarHBondContact N-O 2.83Å; D229-H263 VanDerWaalsContact N-O 3.07Å; D229-S265 WeakPolarHBondContact OD2-CA 3.34Å; D229-S265 VanDerWaalsContact OD2-CB 3.24Å; D229-S265 WeakPolarHBondContact OD2-CB 3.46Å; D229-S265 PolarHBondContact OD2-N 2.94Å; D229-S265 PolarHBondContact OD2-OG 2.93Å
230D91.5Very high92.9Very high113 Ų11364 Ų6460%0.60433%0.333SS*.EExtended strand (participates in β ladder)trans-121.9150.6177.2-70.8-50.4000111.3Y262 H263D230-Y262 VanDerWaalsContact O-CA 3.26Å; D230-Y262 WeakPolarHBondContact O-CA 3.28Å; D230-H263 HydrophobicContact CB-CB 4.32Å; D230-H263 PolarHBondContact O-N 3.14Å
231A92.7Very high92.8Very high43 Ų4367.8 Ų67.836%0.35535%0.347SS..EExtended strand (participates in β ladder)trans-143130.3-177.700000111.3I228 L233 W242 F260 N261I228-A231 HydrophobicContact CG2-CB 4.12Å; A231-L233 HydrophobicContact CB-CD2 4.05Å; A231-W242 HydrophobicContact CB-CZ2 4.36Å; A231-F260 HydrophobicContact CB-CD2 4.42Å; A231-F260 HydrophobicContact CB-CE2 3.44Å; A231-F260 VanDerWaalsContact CB-CE2 3.44Å; A231-F260 HydrophobicContact CB-CZ 3.84Å; A231-N261 CarbonylContact C-O 3.56Å; A231-N261 WeakPolarHBondContact CA-O 3.39Å
232N93.2Very high92.8Very high107 Ų10767 Ų6757%0.57234%0.338SS*.EExtended strand (participates in β ladder)trans-103.9117.2164.9-175.44.1000108.4F260 N261N232-F260 WeakPolarHBondContact O-CA 3.5Å; N232-N261 HydrophobicContact CB-CB 4.26Å; N232-N261 PolarHBondContact N-O 2.99Å; N232-N261 PolarHBondContact O-N 2.89Å
233L94.5Very high92.7Very high26 Ų2673.7 Ų73.714%0.13637%0.367CS..EExtended strand (participates in β ladder)trans-99.8135.8-175.1-48.9-174.8000109.9A231 I237 F239 W242 L248 F260A231-L233 HydrophobicContact CB-CD2 4.05Å; L233-I237 HydrophobicContact CB-CB 4.24Å; L233-I237 HydrophobicContact CB-CD1 3.84Å; L233-I237 HydrophobicContact CD1-CB 4.45Å; L233-I237 HydrophobicContact CD1-CG2 3.94Å; L233-I237 HydrophobicContact CD2-CD1 4.31Å; L233-F239 HydrophobicContact CD1-CD2 3.61Å; L233-F239 HydrophobicContact CD1-CE2 4.32Å; L233-W242 HydrophobicContact CD1-CB 4.13Å; L233-W242 HydrophobicContact CD1-CG 3.93Å; L233-W242 HydrophobicContact CD2-CG 4.41Å; L233-L248 HydrophobicContact CD2-CD2 4.32Å; L233-F260 HydrophobicContact CD2-CD2 3.33Å; L233-F260 HydrophobicContact CD2-CE2 3.44Å; L233-F260 VanDerWaalsContact CD2-CE2 3.44Å
234H93.1Very high92.9Very high30 Ų3079 Ų7914%0.13938%0.381CS..PPolyproline II helixtrans-56.4141.8164.7-168.3-83.2000110.3E125 C236 I237 F257 C258 L259E125-H234 IonicContact OE1-CE1 2.72Å; E125-H234 IonicContact OE2-CE1 3.08Å; E125-H234 IonicContact OE2-NE2 2.71Å; H234-C236 WeakPolarHBondContact ND1-CB 3.26Å; H234-C236 PolarHBondContact ND1-N 2.89Å; H234-C236 VanDerWaalsContact ND1-N 3.14Å; H234-C236 PolarHBondContact ND1-SG 2.86Å; H234-C236 PolarHBondContact O-N 3.37Å; H234-I237 HydrophobicContact CB-CD1 4.44Å; H234-I237 WeakPolarHBondContact O-CB 3.34Å; H234-I237 PolarHBondContact O-N 2.88Å; H234-F257 AromaticContact CD2-CD2 3.86Å; H234-C258 PolarHBondContact CD2-O 3.42Å; H234-L259 WeakPolarHBondContact CB-O 3.44Å; H234-L259 PolarHBondContact N-O 2.89Å
235P90.7Very high93.2Very high86 Ų8678 Ų7856%0.55837%0.373SS*.THydrogen-bonded Turntrans-54.1-19.1179.1-29.835.9000115.4W167 I237W167-P235 HydrophobicContact CE3-CB 4.45Å; W167-P235 HydrophobicContact CZ3-CB 4.39Å; P235-I237 PolarHBondContact O-N 2.69Å
236C93.4Very high93.4Very high4 Ų479.6 Ų79.63%0.02738%0.376CS..THydrogen-bonded Turntrans-70.1-17.7177.173.70000113.9W167 H234 F250 I251W167-C236 HydrophobicContact CD2-CB 3.65Å; W167-C236 HydrophobicContact CE3-CB 4.29Å; W167-C236 HydrophobicContact CG-CB 4Å; W167-C236 HydrophobicContact CH2-CB 4.33Å; W167-C236 VanDerWaalsContact CZ2-CA 3.42Å; W167-C236 HydrophobicContact CZ2-CB 3.69Å; W167-C236 VanDerWaalsContact NE1-CB 3.35Å; H234-C236 WeakPolarHBondContact ND1-CB 3.26Å; H234-C236 PolarHBondContact ND1-N 2.89Å; H234-C236 VanDerWaalsContact ND1-N 3.14Å; H234-C236 PolarHBondContact ND1-SG 2.86Å; H234-C236 PolarHBondContact O-N 3.37Å; C236-F250 HydrophobicContact CB-CB 4.33Å; C236-F250 WeakPolarHBondContact O-CA 3.5Å; C236-F250 WeakPolarHBondContact O-CB 3.49Å; C236-I251 WeakPolarHBondContact CB-O 3.36Å
237I96Very high93.7Very high11 Ų1171.1 Ų71.16%0.05635%0.347CS..BIsolated β-bridgetrans-81.4129.3-179.4-62.9162.1000110.4L233 H234 P235 F239 W242 L248 F250 L259L233-I237 HydrophobicContact CB-CB 4.24Å; L233-I237 HydrophobicContact CB-CD1 3.84Å; L233-I237 HydrophobicContact CD1-CB 4.45Å; L233-I237 HydrophobicContact CD1-CG2 3.94Å; L233-I237 HydrophobicContact CD2-CD1 4.31Å; H234-I237 HydrophobicContact CB-CD1 4.44Å; H234-I237 WeakPolarHBondContact O-CB 3.34Å; H234-I237 PolarHBondContact O-N 2.88Å; P235-I237 PolarHBondContact O-N 2.69Å; I237-F239 VanDerWaalsContact C-N 3.33Å; I237-F239 PolarHBondContact O-N 3Å; I237-W242 HydrophobicContact CG2-CB 4.45Å; I237-L248 HydrophobicContact CD1-CD1 4.5Å; I237-L248 HydrophobicContact CD1-CD2 4.13Å; I237-L248 HydrophobicContact CG2-CD2 4.22Å; I237-F250 HydrophobicContact CG1-CB 4.2Å; I237-F250 HydrophobicContact CG1-CD1 4.21Å; I237-F250 HydrophobicContact CG1-CG 4.39Å; I237-L259 HydrophobicContact CD1-CD1 3.7Å; I237-L259 HydrophobicContact CD1-CG 4.07Å; I237-L259 WeakPolarHBondContact CD1-O 3.25Å; I237-L259 HydrophobicContact CG1-CD1 3.77Å
238R95.3Very high94.1Very high94 Ų9468.6 Ų68.636%0.35533%0.334SS..  trans-68.888.3172.1-62.3173.2-174.5129.3-4.1110D217 S240 R241 W242 S249D217-R238 IonicContact OD1-CZ 3.25Å; D217-R238 IonicContact OD1-NH1 2.89Å; D217-R238 PolarHBondContact OD1-NH1 3.44Å; D217-R238 IonicContact OD1-NH2 2.71Å; D217-R238 IonicContact OD2-CZ 2.66Å; D217-R238 VanDerWaalsContact OD2-CZ 3.25Å; D217-R238 IonicContact OD2-NH1 3.59Å; D217-R238 PolarHBondContact OD2-NH1 3.5Å; D217-R238 IonicContact OD2-NH2 3.62Å; D217-R238 PolarHBondContact OD2-NH2 3.11Å; R238-S240 VanDerWaalsContact C-N 3.28Å; R238-S240 PolarHBondContact O-N 2.85Å; R238-R241 HydrophobicContact CB-CB 4.23Å; R238-R241 WeakPolarHBondContact O-CB 3.17Å; R238-R241 PolarHBondContact O-N 2.89Å; R238-W242 PolarHBondContact O-N 2.87Å; R238-W242 VanDerWaalsContact O-N 3.17Å; R238-S249 WeakPolarHBondContact CB-O 3.43Å; R238-S249 WeakPolarHBondContact CG-O 2.98Å; R238-S249 PolarHBondContact N-O 2.89Å; R238-S249 PolarHBondContact NH1-OG 3.49Å
239F93.9Very high94.4Very high122 Ų12268 Ų6854%0.53533%0.331SS..Hα-helixtrans-49.7-44.8-175.9-179-97.3000113.3L233 I237 R241 W242 K243L233-F239 HydrophobicContact CD1-CD2 3.61Å; L233-F239 HydrophobicContact CD1-CE2 4.32Å; I237-F239 VanDerWaalsContact C-N 3.33Å; I237-F239 PolarHBondContact O-N 3Å; F239-R241 PolarHBondContact O-N 2.85Å; F239-W242 PolarHBondContact O-N 2.82Å; F239-K243 HydrophobicContact CE1-CD 4.08Å; F239-K243 HydrophobicContact CZ-CD 4.49Å; F239-K243 PolarHBondContact O-N 2.82Å
240S95.8Very high94.8Very high88 Ų8864.4 Ų64.462%0.61531%0.311SS*.Hα-helixtrans-58.9-34.1179.2-55.90000113.1R238 R244R238-S240 VanDerWaalsContact C-N 3.28Å; R238-S240 PolarHBondContact O-N 2.85Å; S240-R244 WeakPolarHBondContact O-CB 3.37Å; S240-R244 PolarHBondContact O-N 3.39Å
241R96Very high94.9Very high79 Ų7960.2 Ų60.230%0.29829%0.289SS..Hα-helixtrans-77.1-41.2177.4-169.3167.8-179.6-168.65.5111.4R238 F239 K243 R244 E245 S249R238-R241 HydrophobicContact CB-CB 4.23Å; R238-R241 WeakPolarHBondContact O-CB 3.17Å; R238-R241 PolarHBondContact O-N 2.89Å; F239-R241 PolarHBondContact O-N 2.85Å; R241-K243 PolarHBondContact O-N 3.09Å; R241-R244 PolarHBondContact O-N 2.9Å; R241-E245 HydrophobicContact CG-CB 4.47Å; R241-E245 WeakPolarHBondContact CG-OE2 3.36Å; R241-E245 IonicContact CZ-OE2 2.83Å; R241-E245 IonicContact NE-OE2 2.61Å; R241-E245 PolarHBondContact NE-OE2 2.74Å; R241-E245 IonicContact NH2-OE2 3.1Å; R241-E245 WeakPolarHBondContact O-CB 3.41Å; R241-E245 PolarHBondContact O-N 2.73Å; R241-S249 PolarHBondContact NH1-OG 3.37Å
242W95.8Very high95.1Very high8 Ų858.1 Ų58.13%0.0327%0.272CS..Hα-helixtrans-56.5-48.9171.8166.9-111.3000111.7I228 A231 L233 I237 R238 F239 R244 R246 I247 L248 F260I228-W242 HydrophobicContact CD1-CH2 3.85Å; I228-W242 HydrophobicContact CG2-CZ2 4.29Å; A231-W242 HydrophobicContact CB-CZ2 4.36Å; L233-W242 HydrophobicContact CD1-CB 4.13Å; L233-W242 HydrophobicContact CD1-CG 3.93Å; L233-W242 HydrophobicContact CD2-CG 4.41Å; I237-W242 HydrophobicContact CG2-CB 4.45Å; R238-W242 PolarHBondContact O-N 2.87Å; R238-W242 VanDerWaalsContact O-N 3.17Å; F239-W242 PolarHBondContact O-N 2.82Å; W242-R244 VanDerWaalsContact C-N 3.29Å; W242-R244 PolarHBondContact O-N 3.07Å; W242-R246 HydrophobicContact CE3-CB 4.48Å; W242-R246 HydrophobicContact CZ3-CB 4.2Å; W242-R246 WeakPolarHBondContact CZ3-O 3.49Å; W242-R246 WeakPolarHBondContact O-CA 3.24Å; W242-R246 PolarHBondContact O-N 2.56Å; W242-I247 WeakPolarHBondContact CA-O 3.15Å; W242-L248 HydrophobicContact CD2-CD2 3.98Å; W242-L248 HydrophobicContact CE3-CD2 3.49Å; W242-L248 VanDerWaalsContact CE3-CD2 3.49Å; W242-L248 HydrophobicContact CE3-CG 4.35Å; W242-L248 HydrophobicContact CZ3-CD2 3.89Å; W242-L248 HydrophobicContact CZ3-CG 4.48Å; W242-F260 HydrophobicContact CH2-CE2 4.41Å; W242-F260 HydrophobicContact CH2-CZ 4.36Å; W242-F260 HydrophobicContact CZ2-CE2 4.18Å; W242-F260 HydrophobicContact CZ2-CZ 4.36Å
243K94Very high95.1Very high151 Ų15153.2 Ų53.266%0.65725%0.246SC*.Hα-helixtrans-60.5-37.3-178.5-171.8175.2-179.4176.90112.9F239 R241F239-K243 HydrophobicContact CE1-CD 4.08Å; F239-K243 HydrophobicContact CZ-CD 4.49Å; F239-K243 PolarHBondContact O-N 2.82Å; R241-K243 PolarHBondContact O-N 3.09Å
244R95.4Very high95Very high172 Ų17252.5 Ų52.565%0.64924%0.242SC*.Hα-helixtrans-86.7-45.6-176.5-176177.859.8-122.8-1.2113.5S240 R241 W242S240-R244 WeakPolarHBondContact O-CB 3.37Å; S240-R244 PolarHBondContact O-N 3.39Å; R241-R244 PolarHBondContact O-N 2.9Å; W242-R244 VanDerWaalsContact C-N 3.29Å; W242-R244 PolarHBondContact O-N 3.07Å
245E96Very high94.9Very high75 Ų7551.9 Ų51.935%0.3524%0.244SC..Hα-helixtrans-108.7-11.7-168.4-67.8162.6-141.300112.8R241 I247R241-E245 HydrophobicContact CG-CB 4.47Å; R241-E245 WeakPolarHBondContact CG-OE2 3.36Å; R241-E245 IonicContact CZ-OE2 2.83Å; R241-E245 IonicContact NE-OE2 2.61Å; R241-E245 PolarHBondContact NE-OE2 2.74Å; R241-E245 IonicContact NH2-OE2 3.1Å; R241-E245 WeakPolarHBondContact O-CB 3.41Å; R241-E245 PolarHBondContact O-N 2.73Å; E245-I247 HydrophobicContact CB-CB 4.35Å; E245-I247 HydrophobicContact CB-CD1 4.17Å; E245-I247 HydrophobicContact CB-CG1 4.23Å; E245-I247 PolarHBondContact O-N 3.48Å
246R94.8Very high95Very high100 Ų10056.2 Ų56.238%0.37725%0.254SS..  trans53.935.4-171.5-60.1-66.9-175171.55.7112.8H225 W242H225-R246 HydrophobicContact CB-CB 4.39Å; W242-R246 HydrophobicContact CE3-CB 4.48Å; W242-R246 HydrophobicContact CZ3-CB 4.2Å; W242-R246 WeakPolarHBondContact CZ3-O 3.49Å; W242-R246 WeakPolarHBondContact O-CA 3.24Å; W242-R246 PolarHBondContact O-N 2.56Å
247I96.5Very high95Very high44 Ų4457.1 Ų57.123%0.22626%0.257CS..EExtended strand (participates in β ladder)trans-115129.2173.7-64.5172000108T219 A221 W242 E245 S249T219-I247 HydrophobicContact CG2-CG2 4.26Å; A221-I247 HydrophobicContact CB-CG1 4.36Å; W242-I247 WeakPolarHBondContact CA-O 3.15Å; E245-I247 HydrophobicContact CB-CB 4.35Å; E245-I247 HydrophobicContact CB-CD1 4.17Å; E245-I247 HydrophobicContact CB-CG1 4.23Å; E245-I247 PolarHBondContact O-N 3.48Å; I247-S249 PolarHBondContact O-N 2.77Å
248L97.3Very high94.9Very high0 Ų058.3 Ų58.30%027%0.266CS..EExtended strand (participates in β ladder)trans-75.3123.2168.8-55.5-174.5000107.7T219 L220 F222 L233 I237 W242 F250 L259 F260T219-L248 CarbonylContact C-O 3.56Å; T219-L248 VanDerWaalsContact CA-O 3.23Å; T219-L248 WeakPolarHBondContact CA-O 3.42Å; L220-L248 HydrophobicContact CB-CB 4.26Å; L220-L248 HydrophobicContact CD2-CD1 4.16Å; L220-L248 PolarHBondContact N-O 3.31Å; L220-L248 PolarHBondContact O-N 2.98Å; F222-L248 HydrophobicContact CE2-CD1 3.78Å; F222-L248 HydrophobicContact CE2-CG 4.09Å; F222-L248 HydrophobicContact CZ-CD1 4.08Å; L233-L248 HydrophobicContact CD2-CD2 4.32Å; I237-L248 HydrophobicContact CD1-CD1 4.5Å; I237-L248 HydrophobicContact CD1-CD2 4.13Å; I237-L248 HydrophobicContact CG2-CD2 4.22Å; W242-L248 HydrophobicContact CD2-CD2 3.98Å; W242-L248 HydrophobicContact CE3-CD2 3.49Å; W242-L248 VanDerWaalsContact CE3-CD2 3.49Å; W242-L248 HydrophobicContact CE3-CG 4.35Å; W242-L248 HydrophobicContact CZ3-CD2 3.89Å; W242-L248 HydrophobicContact CZ3-CG 4.48Å; L248-F250 HydrophobicContact CB-CD1 4.1Å; L248-F250 HydrophobicContact CB-CE1 3.93Å; L248-L259 HydrophobicContact CD1-CD2 3.93Å; L248-L259 HydrophobicContact CD1-CG 4.31Å; L248-F260 HydrophobicContact CD1-CB 4.16Å; L248-F260 HydrophobicContact CD1-CD2 4.32Å; L248-F260 HydrophobicContact CD1-CG 4.21Å; L248-F260 HydrophobicContact CD2-CD2 4.11Å; L248-F260 HydrophobicContact CD2-CE2 4.34Å
249S97.5Very high95Very high0 Ų053.8 Ų53.80%025%0.249CC..EExtended strand (participates in β ladder)trans-132.8122.3178.6-177.30000109.4I218 R238 R241 I247I218-S249 WeakPolarHBondContact O-CA 3.42Å; R238-S249 WeakPolarHBondContact CB-O 3.43Å; R238-S249 WeakPolarHBondContact CG-O 2.98Å; R238-S249 PolarHBondContact N-O 2.89Å; R238-S249 PolarHBondContact NH1-OG 3.49Å; R241-S249 PolarHBondContact NH1-OG 3.37Å; I247-S249 PolarHBondContact O-N 2.77Å
250F96.8Very high94.9Very high0 Ų048 Ų480%022%0.224CC..EExtended strand (participates in β ladder)trans-161154.1-166.153.4-81.7000112F181 I218 L220 C236 I237 L248 P252 L259F181-F250 HydrophobicContact CE1-CZ 4.23Å; I218-F250 HydrophobicContact CB-CD2 4.29Å; I218-F250 HydrophobicContact CB-CE1 4.32Å; I218-F250 HydrophobicContact CB-CE2 3.86Å; I218-F250 HydrophobicContact CB-CZ 3.87Å; I218-F250 HydrophobicContact CD1-CE2 4.23Å; I218-F250 HydrophobicContact CG1-CE2 4.42Å; I218-F250 HydrophobicContact CG2-CE1 4.19Å; I218-F250 HydrophobicContact CG2-CE2 4.13Å; I218-F250 HydrophobicContact CG2-CZ 3.69Å; I218-F250 PolarHBondContact N-O 3.23Å; I218-F250 PolarHBondContact O-N 2.82Å; L220-F250 HydrophobicContact CB-CE1 4.28Å; C236-F250 HydrophobicContact CB-CB 4.33Å; C236-F250 WeakPolarHBondContact O-CA 3.5Å; C236-F250 WeakPolarHBondContact O-CB 3.49Å; I237-F250 HydrophobicContact CG1-CB 4.2Å; I237-F250 HydrophobicContact CG1-CD1 4.21Å; I237-F250 HydrophobicContact CG1-CG 4.39Å; L248-F250 HydrophobicContact CB-CD1 4.1Å; L248-F250 HydrophobicContact CB-CE1 3.93Å; F250-P252 HydrophobicContact CD2-CB 3.93Å; F250-P252 HydrophobicContact CE2-CB 3.96Å; F250-L259 HydrophobicContact CD1-CD1 3.97Å; F250-L259 HydrophobicContact CD2-CD1 3.88Å; F250-L259 HydrophobicContact CE1-CD1 3.88Å; F250-L259 HydrophobicContact CE1-CD2 3.71Å; F250-L259 HydrophobicContact CE1-CG 4.43Å; F250-L259 HydrophobicContact CE2-CD1 3.76Å; F250-L259 HydrophobicContact CE2-CD2 4.15Å; F250-L259 HydrophobicContact CG-CD1 3.99Å; F250-L259 HydrophobicContact CZ-CD1 3.77Å; F250-L259 HydrophobicContact CZ-CD2 3.46Å; F250-L259 VanDerWaalsContact CZ-CD2 3.46Å; F250-L259 HydrophobicContact CZ-CG 4.29Å
251I95.2Very high94.9Very high24 Ų2447 Ų4712%0.12321%0.211CC..PPolyproline II helixtrans-95117.8159.2-67.9168.1000105.4I165 W167 P216 D217 C236I165-I251 HydrophobicContact CD1-CD1 3.46Å; I165-I251 VanDerWaalsContact CD1-CD1 3.46Å; I165-I251 HydrophobicContact CG1-CD1 4.43Å; I165-I251 HydrophobicContact CG2-CG2 4.23Å; W167-I251 PolarHBondContact NE1-O 2.86Å; P216-I251 WeakPolarHBondContact O-CA 3.46Å; D217-I251 HydrophobicContact CB-CG1 4.41Å; C236-I251 WeakPolarHBondContact CB-O 3.36Å
252P95.6Very high94.9Very high0 Ų043.6 Ų43.60%020%0.198CC..PPolyproline II helixtrans-76.5148.5-170.729.6-35.7000112.9R168 I210 P216 I218 F250 F257R168-P252 WeakPolarHBondContact CD-O 3.23Å; R168-P252 WeakPolarHBondContact CG-O 3.46Å; R168-P252 PolarHBondContact NH1-O 2.92Å; I210-P252 HydrophobicContact CB-CB 4.48Å; I210-P252 HydrophobicContact CG1-CB 3.93Å; I210-P252 HydrophobicContact CG1-CG 4.41Å; I210-P252 HydrophobicContact CG2-CB 4.12Å; I210-P252 HydrophobicContact CG2-CG 3.77Å; P216-P252 HydrophobicContact CG-CG 4.18Å; P216-P252 VanDerWaalsContact O-CD 3.24Å; P216-P252 WeakPolarHBondContact O-CD 3.05Å; I218-P252 HydrophobicContact CD1-CB 4.45Å; I218-P252 HydrophobicContact CD1-CG 3.72Å; I218-P252 HydrophobicContact CG1-CG 4.24Å; F250-P252 HydrophobicContact CD2-CB 3.93Å; F250-P252 HydrophobicContact CE2-CB 3.96Å; P252-F257 HydrophobicContact CB-CE1 4.06Å; P252-F257 HydrophobicContact CB-CZ 3.94Å
253P93.6Very high94.8Very high4 Ų444.8 Ų44.83%0.02620%0.204CC..PPolyproline II helixtrans-48.5153.1156.3-20.627.2000112.2W167 F257W167-P253 HydrophobicContact CB-CB 4.39Å; W167-P253 HydrophobicContact CB-CG 3.98Å; W167-P253 HydrophobicContact CG-CG 4.1Å; W167-P253 WeakPolarHBondContact O-CA 3.38Å; P253-F257 HydrophobicContact CB-CB 4.45Å; P253-F257 HydrophobicContact CB-CD1 3.8Å; P253-F257 HydrophobicContact CB-CD2 4.49Å; P253-F257 HydrophobicContact CB-CE1 4.14Å; P253-F257 HydrophobicContact CB-CG 4.01Å; P253-F257 HydrophobicContact CG-CB 4.39Å; P253-F257 HydrophobicContact CG-CD1 3.9Å; P253-F257 HydrophobicContact CG-CD2 3.74Å; P253-F257 HydrophobicContact CG-CE1 4.06Å; P253-F257 HydrophobicContact CG-CE2 3.94Å; P253-F257 HydrophobicContact CG-CG 3.75Å; P253-F257 HydrophobicContact CG-CZ 4.13Å
254D91.8Very high94.7Very high11 Ų1137.7 Ų37.76%0.05917%0.174CC..SBendtrans-78.6140.2170.3-169.246.8000110N127 R169 V172 Y174N127-D254 PolarHBondContact ND2-N 3.41Å; N127-D254 PolarHBondContact ND2-O 3.17Å; N127-D254 VanDerWaalsContact ND2-O 3.14Å; R169-D254 IonicContact NH2-OD2 3.72Å; R169-D254 PolarHBondContact NH2-OD2 2.91Å; R169-D254 VanDerWaalsContact NH2-OD2 3.1Å; V172-D254 WeakPolarHBondContact CG1-OD1 3.39Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.42Å; Y174-D254 PolarHBondContact OH-OD1 3.1Å; Y174-D254 PolarHBondContact OH-OD2 2.74Å
255G92.4Very high94.3Very high17 Ų1732.3 Ų32.318%0.17516%0.162CC..EExtended strand (participates in β ladder)trans81.2-145.3177.400000115.1I210I210-G255 PolarHBondContact N-O 2.71Å; I210-G255 WeakPolarHBondContact O-CA 3.41Å; I210-G255 PolarHBondContact O-N 2.71Å
256K92.4Very high93.2Very high177 Ų17732 Ų3277%0.7717%0.169SC*.EExtended strand (participates in β ladder)trans-88.6133.2-176.4-66.8-178.2-178.7175.40110.7C208 L209C208-K256 VanDerWaalsContact O-CA 3.28Å; C208-K256 WeakPolarHBondContact O-CA 3.41Å; L209-K256 HydrophobicContact CB-CG 4.5Å; L209-K256 HydrophobicContact CD1-CG 3.75Å
257F92.9Very high91.9Very high22 Ų2227.5 Ų27.510%0.09615%0.152CC..EExtended strand (participates in β ladder)trans-161.8158.4170.970.9-77.2000111C208 I210 H234 P252 P253 L259C208-F257 HydrophobicContact CB-CD1 3.92Å; C208-F257 HydrophobicContact CB-CE1 3.55Å; C208-F257 HydrophobicContact CB-CE2 4.4Å; C208-F257 HydrophobicContact CB-CG 4.49Å; C208-F257 HydrophobicContact CB-CZ 3.77Å; C208-F257 WeakPolarHBondContact CB-O 3.35Å; C208-F257 PolarHBondContact N-O 3.16Å; C208-F257 PolarHBondContact O-N 2.82Å; C208-F257 VanDerWaalsContact O-N 3.14Å; I210-F257 HydrophobicContact CB-CE1 4.49Å; I210-F257 HydrophobicContact CG1-CD1 4.45Å; I210-F257 HydrophobicContact CG1-CE1 3.54Å; I210-F257 HydrophobicContact CG1-CZ 4.3Å; H234-F257 AromaticContact CD2-CD2 3.86Å; P252-F257 HydrophobicContact CB-CE1 4.06Å; P252-F257 HydrophobicContact CB-CZ 3.94Å; P253-F257 HydrophobicContact CB-CB 4.45Å; P253-F257 HydrophobicContact CB-CD1 3.8Å; P253-F257 HydrophobicContact CB-CD2 4.49Å; P253-F257 HydrophobicContact CB-CE1 4.14Å; P253-F257 HydrophobicContact CB-CG 4.01Å; P253-F257 HydrophobicContact CG-CB 4.39Å; P253-F257 HydrophobicContact CG-CD1 3.9Å; P253-F257 HydrophobicContact CG-CD2 3.74Å; P253-F257 HydrophobicContact CG-CE1 4.06Å; P253-F257 HydrophobicContact CG-CE2 3.94Å; P253-F257 HydrophobicContact CG-CG 3.75Å; P253-F257 HydrophobicContact CG-CZ 4.13Å; F257-L259 HydrophobicContact CD2-CB 4.42Å; F257-L259 HydrophobicContact CE2-CB 3.72Å; F257-L259 HydrophobicContact CE2-CD1 3.77Å; F257-L259 HydrophobicContact CE2-CG 4.36Å; F257-L259 HydrophobicContact CZ-CB 4.32Å; F257-L259 HydrophobicContact CZ-CD1 4.21Å
258C94.2Very high90.4Very high36 Ų3629.8 Ų29.824%0.24317%0.172CC..EExtended strand (participates in β ladder)trans-85116169.7-171.50000109.1E207 H234 N261E207-C258 PolarHBondContact OE1-SG 2.77Å; E207-C258 VanDerWaalsContact OE1-SG 3.37Å; E207-C258 WeakPolarHBondContact OE2-CB 2.97Å; H234-C258 PolarHBondContact CD2-O 3.42Å; C258-N261 PolarHBondContact SG-OD1 2.87Å; C258-N261 VanDerWaalsContact SG-OD1 3.42Å
259L96.3Very high88.8Confident0 Ų035.7 Ų35.70%021%0.21CC..EExtended strand (participates in β ladder)trans-76.2-37-178.8174.465.5000112.1F181 V206 C208 L220 H234 I237 L248 F250 F257F181-L259 HydrophobicContact CE1-CD2 4.41Å; V206-L259 HydrophobicContact CB-CB 4.37Å; V206-L259 HydrophobicContact CG1-CB 4.31Å; V206-L259 HydrophobicContact CG1-CD2 4.16Å; V206-L259 PolarHBondContact O-N 2.94Å; C208-L259 VanDerWaalsContact SG-CB 3.57Å; L220-L259 HydrophobicContact CD1-CD2 4.25Å; H234-L259 WeakPolarHBondContact CB-O 3.44Å; H234-L259 PolarHBondContact N-O 2.89Å; I237-L259 HydrophobicContact CD1-CD1 3.7Å; I237-L259 HydrophobicContact CD1-CG 4.07Å; I237-L259 WeakPolarHBondContact CD1-O 3.25Å; I237-L259 HydrophobicContact CG1-CD1 3.77Å; L248-L259 HydrophobicContact CD1-CD2 3.93Å; L248-L259 HydrophobicContact CD1-CG 4.31Å; F250-L259 HydrophobicContact CD1-CD1 3.97Å; F250-L259 HydrophobicContact CD2-CD1 3.88Å; F250-L259 HydrophobicContact CE1-CD1 3.88Å; F250-L259 HydrophobicContact CE1-CD2 3.71Å; F250-L259 HydrophobicContact CE1-CG 4.43Å; F250-L259 HydrophobicContact CE2-CD1 3.76Å; F250-L259 HydrophobicContact CE2-CD2 4.15Å; F250-L259 HydrophobicContact CG-CD1 3.99Å; F250-L259 HydrophobicContact CZ-CD1 3.77Å; F250-L259 HydrophobicContact CZ-CD2 3.46Å; F250-L259 VanDerWaalsContact CZ-CD2 3.46Å; F250-L259 HydrophobicContact CZ-CG 4.29Å; F257-L259 HydrophobicContact CD2-CB 4.42Å; F257-L259 HydrophobicContact CE2-CB 3.72Å; F257-L259 HydrophobicContact CE2-CD1 3.77Å; F257-L259 HydrophobicContact CE2-CG 4.36Å; F257-L259 HydrophobicContact CZ-CB 4.32Å; F257-L259 HydrophobicContact CZ-CD1 4.21Å
260F92.1Very high87.6Confident1 Ų137.9 Ų37.90%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-166126.8-160.9172.2-99.1000110S205 V206 F222 I228 A231 N232 L233 W242 L248 Y262S205-F260 CarbonylContact C-O 3.53Å; S205-F260 WeakPolarHBondContact CA-O 3.34Å; V206-F260 HydrophobicContact CB-CB 4.27Å; V206-F260 HydrophobicContact CG2-CB 4.31Å; V206-F260 HydrophobicContact CG2-CD1 3.93Å; V206-F260 PolarHBondContact N-O 2.83Å; F222-F260 HydrophobicContact CE2-CD1 4.44Å; F222-F260 HydrophobicContact CE2-CE1 4.15Å; F222-F260 HydrophobicContact CZ-CD1 4.12Å; F222-F260 HydrophobicContact CZ-CE1 4.1Å; I228-F260 HydrophobicContact CD1-CE1 4.31Å; I228-F260 HydrophobicContact CD1-CZ 4.01Å; I228-F260 HydrophobicContact CG2-CZ 4.05Å; A231-F260 HydrophobicContact CB-CD2 4.42Å; A231-F260 HydrophobicContact CB-CE2 3.44Å; A231-F260 VanDerWaalsContact CB-CE2 3.44Å; A231-F260 HydrophobicContact CB-CZ 3.84Å; N232-F260 WeakPolarHBondContact O-CA 3.5Å; L233-F260 HydrophobicContact CD2-CD2 3.33Å; L233-F260 HydrophobicContact CD2-CE2 3.44Å; L233-F260 VanDerWaalsContact CD2-CE2 3.44Å; W242-F260 HydrophobicContact CH2-CE2 4.41Å; W242-F260 HydrophobicContact CH2-CZ 4.36Å; W242-F260 HydrophobicContact CZ2-CE2 4.18Å; W242-F260 HydrophobicContact CZ2-CZ 4.36Å; L248-F260 HydrophobicContact CD1-CB 4.16Å; L248-F260 HydrophobicContact CD1-CD2 4.32Å; L248-F260 HydrophobicContact CD1-CG 4.21Å; L248-F260 HydrophobicContact CD2-CD2 4.11Å; L248-F260 HydrophobicContact CD2-CE2 4.34Å; F260-Y262 AromaticContact CD1-CD1 3.67Å; F260-Y262 HydrophobicContact CD1-CD1 3.67Å; F260-Y262 HydrophobicContact CD1-CE1 4.47Å; F260-Y262 HydrophobicContact CD1-CG 4.41Å; F260-Y262 VanDerWaalsContact CE1-CB 3.46Å; F260-Y262 AromaticContact CE1-CD1 3.3Å; F260-Y262 HydrophobicContact CE1-CD1 3.3Å; F260-Y262 HydrophobicContact CE1-CE1 4.25Å; F260-Y262 AromaticContact CE1-CG 3.65Å; F260-Y262 HydrophobicContact CE1-CG 3.65Å; F260-Y262 HydrophobicContact CZ-CD1 4.36Å; F260-Y262 HydrophobicContact CZ-CG 4.33Å
261N96.4Very high87.1Confident66 Ų6640.8 Ų40.835%0.35324%0.244SC..EExtended strand (participates in β ladder)trans-108.9146167.1-62.3-67000109.4G204 S205 A231 N232 C258G204-N261 CarbonylContact O-C 3.53Å; G204-N261 VanDerWaalsContact O-CA 3.31Å; G204-N261 WeakPolarHBondContact O-CA 3.47Å; S205-N261 WeakPolarHBondContact CB-OD1 3.39Å; A231-N261 CarbonylContact C-O 3.56Å; A231-N261 WeakPolarHBondContact CA-O 3.39Å; N232-N261 HydrophobicContact CB-CB 4.26Å; N232-N261 PolarHBondContact N-O 2.99Å; N232-N261 PolarHBondContact O-N 2.89Å; C258-N261 PolarHBondContact SG-OD1 2.87Å; C258-N261 VanDerWaalsContact SG-OD1 3.42Å
262Y95.7Very high86.9Confident7 Ų740.1 Ų40.13%0.02724%0.24CC..EExtended strand (participates in β ladder)trans-141.9158.4178.261.7-78.9000112.6L183 E185 G204 I228 D230 F260 V264 L385L183-Y262 HydrophobicContact CD1-CE1 3.56Å; L183-Y262 WeakPolarHBondContact CD1-OH 3.43Å; E185-Y262 HydrophobicContact CG-CE2 4.47Å; E185-Y262 WeakPolarHBondContact CG-OH 3.38Å; E185-Y262 WeakPolarHBondContact OE1-CE2 3.43Å; E185-Y262 PolarHBondContact OE1-OH 2.79Å; G204-Y262 VanDerWaalsContact C-CE1 3.42Å; G204-Y262 VanDerWaalsContact CA-CE1 3.44Å; G204-Y262 PolarHBondContact N-O 2.89Å; G204-Y262 WeakPolarHBondContact O-CD1 3.48Å; G204-Y262 PolarHBondContact O-N 3.05Å; I228-Y262 HydrophobicContact CG1-CD2 4.43Å; D230-Y262 VanDerWaalsContact O-CA 3.26Å; D230-Y262 WeakPolarHBondContact O-CA 3.28Å; F260-Y262 AromaticContact CD1-CD1 3.67Å; F260-Y262 HydrophobicContact CD1-CD1 3.67Å; F260-Y262 HydrophobicContact CD1-CE1 4.47Å; F260-Y262 HydrophobicContact CD1-CG 4.41Å; F260-Y262 VanDerWaalsContact CE1-CB 3.46Å; F260-Y262 AromaticContact CE1-CD1 3.3Å; F260-Y262 HydrophobicContact CE1-CD1 3.3Å; F260-Y262 HydrophobicContact CE1-CE1 4.25Å; F260-Y262 AromaticContact CE1-CG 3.65Å; F260-Y262 HydrophobicContact CE1-CG 3.65Å; F260-Y262 HydrophobicContact CZ-CD1 4.36Å; F260-Y262 HydrophobicContact CZ-CG 4.33Å; Y262-V264 HydrophobicContact CD2-CG2 3.81Å; Y262-V264 HydrophobicContact CE2-CG2 3.93Å; Y262-L385 HydrophobicContact CD1-CD2 4.47Å; Y262-L385 HydrophobicContact CD2-CD2 4.19Å; Y262-L385 HydrophobicContact CE1-CD2 3.95Å; Y262-L385 HydrophobicContact CE2-CD2 3.65Å; Y262-L385 VanDerWaalsContact CZ-CD2 3.49Å
263H94.6Very high86.8Confident33 Ų3340.1 Ų40.115%0.15324%0.241CC..EExtended strand (participates in β ladder)trans-121.5139.7174.1176.3-120.7000110.3E201 V202 H203 D229 D230E201-H263 IonicContact OE2-NE2 2.86Å; V202-H263 WeakPolarHBondContact O-CA 3.47Å; V202-H263 PolarHBondContact O-CD2 2.92Å; H203-H263 AromaticContact CE1-CD2 3.49Å; H203-H263 PolarHBondContact CE1-CD2 3.03Å; H203-H263 VanDerWaalsContact CE1-CD2 3.49Å; H203-H263 AromaticContact ND1-CD2 3.71Å; D229-H263 PolarHBondContact N-O 2.83Å; D229-H263 VanDerWaalsContact N-O 3.07Å; D230-H263 HydrophobicContact CB-CB 4.32Å; D230-H263 PolarHBondContact O-N 3.14Å
264V92.4Very high86.9Confident2 Ų240 Ų401%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-124.4104.2172.1-174.20000108V202 L227 Y262 L267V202-V264 HydrophobicContact CB-CB 4.23Å; V202-V264 PolarHBondContact N-O 2.64Å; V202-V264 VanDerWaalsContact N-O 3.09Å; V202-V264 PolarHBondContact O-N 3.34Å; L227-V264 WeakPolarHBondContact O-CG1 3.34Å; L227-V264 WeakPolarHBondContact O-CG2 3.29Å; Y262-V264 HydrophobicContact CD2-CG2 3.81Å; Y262-V264 HydrophobicContact CE2-CG2 3.93Å; V264-L267 HydrophobicContact CG1-CD2 4.42Å
265S85.2Confident87.1Confident59 Ų5941.9 Ų41.941%0.41325%0.249SC..  trans-80.1-36.3-178.766.80000112.1D229D229-S265 WeakPolarHBondContact OD2-CA 3.34Å; D229-S265 VanDerWaalsContact OD2-CB 3.24Å; D229-S265 WeakPolarHBondContact OD2-CB 3.46Å; D229-S265 PolarHBondContact OD2-N 2.94Å; D229-S265 PolarHBondContact OD2-OG 2.93Å
266S74Confident87.2Confident70 Ų7041.6 Ų41.649%0.4924%0.244SC..  trans-109.895.5-178.6-173.90000110.8S268S266-S268 PolarHBondContact O-N 2.5Å
267L68.1Low87.4Confident4 Ų441.2 Ų41.22%0.02124%0.237CC..  trans-75.5-3.3169-82.3-179.6000112.9I187 K200 V202 V264 P269 V270 V382I187-L267 HydrophobicContact CD1-CD1 4.31Å; K200-L267 HydrophobicContact CB-CD1 4.35Å; K200-L267 HydrophobicContact CD-CB 3.88Å; K200-L267 HydrophobicContact CD-CD1 3.97Å; K200-L267 HydrophobicContact CG-CB 4.42Å; K200-L267 HydrophobicContact CG-CD1 4.3Å; V202-L267 HydrophobicContact CG2-CD1 3.59Å; V202-L267 HydrophobicContact CG2-CD2 3.79Å; V202-L267 HydrophobicContact CG2-CG 3.86Å; V264-L267 HydrophobicContact CG1-CD2 4.42Å; L267-P269 CarbonylContact O-C 3.59Å; L267-V270 HydrophobicContact CB-CB 4.31Å; L267-V270 HydrophobicContact CD2-CB 4.24Å; L267-V270 HydrophobicContact CD2-CG1 4.47Å; L267-V270 HydrophobicContact CD2-CG2 4.46Å; L267-V270 WeakPolarHBondContact O-CA 3.38Å; L267-V270 WeakPolarHBondContact O-CB 3.31Å; L267-V270 WeakPolarHBondContact O-CG2 3.34Å; L267-V270 PolarHBondContact O-N 3.12Å; L267-V382 HydrophobicContact CD1-CG2 4.36Å; L267-V382 HydrophobicContact CD2-CG2 4.47Å
268S63.8Low87.5Confident92 Ų9242 Ų4264%0.64324%0.241SC*.THydrogen-bonded Turntrans-68.3125.2-176.7-168.10000111.1S266S266-S268 PolarHBondContact O-N 2.5Å
269P63.2Low87.5Confident125 Ų12544.6 Ų44.681%0.81225%0.253SS*.THydrogen-bonded Turncis-100.69.216.637.2-35.3000116.9L267 S271L267-P269 CarbonylContact O-C 3.59Å; P269-S271 PolarHBondContact O-N 3.4Å
270V73.4Confident87.3Confident46 Ų4645.4 Ų45.428%0.27926%0.258SS..PPolyproline II helixtrans-56.8123.4175.3-171.30000111.8K200 L267 V382K200-V270 PolarHBondContact NZ-O 2.61Å; L267-V270 HydrophobicContact CB-CB 4.31Å; L267-V270 HydrophobicContact CD2-CB 4.24Å; L267-V270 HydrophobicContact CD2-CG1 4.47Å; L267-V270 HydrophobicContact CD2-CG2 4.46Å; L267-V270 WeakPolarHBondContact O-CA 3.38Å; L267-V270 WeakPolarHBondContact O-CB 3.31Å; L267-V270 WeakPolarHBondContact O-CG2 3.34Å; L267-V270 PolarHBondContact O-N 3.12Å; V270-V382 HydrophobicContact CG1-CG2 3.82Å; V270-V382 WeakPolarHBondContact CG1-O 3.19Å
271S85.5Confident87.2Confident61 Ų6148.9 Ų48.943%0.42728%0.276SS..PPolyproline II helixtrans-82.2154.3172.660.30000112.3P269P269-S271 PolarHBondContact O-N 3.4Å
272L92.6Very high86.9Confident9 Ų946.4 Ų46.45%0.04726%0.262CS..PPolyproline II helixtrans-56.9138172.7-61.6178.2000111I187 A189 V191 V197 K200 I274 Y412I187-L272 HydrophobicContact CD1-CD2 3.52Å; A189-L272 HydrophobicContact CB-CD1 4.06Å; A189-L272 HydrophobicContact CB-CD2 3.79Å; V191-L272 HydrophobicContact CG2-CD1 3.68Å; V197-L272 HydrophobicContact CG1-CD1 4.24Å; V197-L272 HydrophobicContact CG2-CD1 3.58Å; V197-L272 HydrophobicContact CG2-CG 4.12Å; K200-L272 HydrophobicContact CB-CD2 4.01Å; K200-L272 HydrophobicContact CD-CD2 4.22Å; L272-I274 VanDerWaalsContact C-N 3.29Å; L272-I274 WeakPolarHBondContact CB-O 3.12Å; L272-I274 PolarHBondContact O-N 3Å; L272-Y412 HydrophobicContact CB-CE2 4.35Å; L272-Y412 HydrophobicContact CD1-CE2 4.26Å; L272-Y412 VanDerWaalsContact CD1-OH 3.27Å; L272-Y412 WeakPolarHBondContact CD1-OH 3.18Å; L272-Y412 HydrophobicContact CD2-CE2 4.34Å
273P93.4Very high86.4Confident1 Ų153.3 Ų53.31%0.00629%0.288CS..SBendtrans-77.2-15.7-172.831.5-37.1000113.5K296 T297 F375 I377 F380P273-K296 CarbonylContact O-C 3.58Å; P273-K296 PolarHBondContact O-N 3.38Å; P273-T297 HydrophobicContact CB-CG2 4.18Å; P273-T297 WeakPolarHBondContact O-CG2 3.31Å; P273-F375 HydrophobicContact CG-CE2 3.9Å; P273-F375 HydrophobicContact CG-CZ 3.8Å; P273-I377 HydrophobicContact CB-CD1 3.48Å; P273-I377 VanDerWaalsContact CB-CD1 3.48Å; P273-I377 HydrophobicContact CG-CD1 3.83Å; P273-F380 HydrophobicContact CB-CE1 4.16Å
274I94.7Very high85.6Confident0 Ų057.9 Ų57.90%031%0.31CS..EExtended strand (participates in β ladder)trans-121.9143.8167.2-65.5-60.3000106.6L272 L276 V293 P295 V302 V373 F375 Y412L272-I274 VanDerWaalsContact C-N 3.29Å; L272-I274 WeakPolarHBondContact CB-O 3.12Å; L272-I274 PolarHBondContact O-N 3Å; I274-L276 HydrophobicContact CG2-CD2 4.15Å; I274-V293 HydrophobicContact CD1-CG1 4.42Å; I274-V293 HydrophobicContact CG2-CG1 3.8Å; I274-P295 HydrophobicContact CD1-CB 3.95Å; I274-V302 HydrophobicContact CD1-CG1 4.17Å; I274-V302 HydrophobicContact CD1-CG2 4.08Å; I274-V373 HydrophobicContact CG2-CG1 4.21Å; I274-F375 HydrophobicContact CB-CD1 4.39Å; I274-F375 HydrophobicContact CB-CE1 4.16Å; I274-F375 HydrophobicContact CG1-CD1 3.75Å; I274-F375 HydrophobicContact CG1-CD2 4.42Å; I274-F375 HydrophobicContact CG1-CE1 3.87Å; I274-F375 HydrophobicContact CG1-CG 4.04Å; I274-F375 HydrophobicContact CG1-CZ 4.27Å; I274-Y412 PolarHBondContact O-OH 3.33Å
275I95Very high85Confident52 Ų5269.8 Ų69.827%0.26736%0.355SS..EExtended strand (participates in β ladder)trans-126.5131.9167.9-64178.3000107.5V294 K296I275-V294 HydrophobicContact CB-CB 4.33Å; I275-V294 PolarHBondContact N-O 2.8Å; I275-V294 PolarHBondContact O-N 3.46Å; I275-K296 HydrophobicContact CD1-CD 3.61Å; I275-K296 VanDerWaalsContact CD1-CE 3.43Å; I275-K296 HydrophobicContact CD1-CG 4.4Å; I275-K296 HydrophobicContact CG1-CD 4.38Å
276L96.5Very high85.1Confident10 Ų1067.8 Ų67.85%0.05234%0.343CS..EExtended strand (participates in β ladder)trans-97.4126.3170-62.9-165.8000110I274 V291 V293 L307 I371 V373 V414I274-L276 HydrophobicContact CG2-CD2 4.15Å; L276-V291 HydrophobicContact CD1-CG1 4.48Å; L276-V291 HydrophobicContact CD2-CG1 4.29Å; L276-V293 HydrophobicContact CD2-CB 4.13Å; L276-V293 HydrophobicContact CD2-CG1 4.05Å; L276-V293 HydrophobicContact CD2-CG2 3.71Å; L276-L307 HydrophobicContact CD1-CD1 4.12Å; L276-L307 HydrophobicContact CD1-CD2 4.05Å; L276-L307 HydrophobicContact CD2-CD1 4.27Å; L276-L307 HydrophobicContact CD2-CD2 4.27Å; L276-I371 HydrophobicContact CD1-CB 4.24Å; L276-I371 HydrophobicContact CD1-CD1 4.37Å; L276-I371 HydrophobicContact CD1-CG2 3.66Å; L276-V373 HydrophobicContact CD1-CG2 3.46Å; L276-V373 VanDerWaalsContact CD1-CG2 3.46Å; L276-V373 HydrophobicContact CG-CG2 4.08Å; L276-V414 HydrophobicContact CB-CG1 4.3Å; L276-V414 HydrophobicContact CB-CG2 4.15Å; L276-V414 HydrophobicContact CD1-CB 4.16Å; L276-V414 HydrophobicContact CD1-CG2 3.78Å; L276-V414 HydrophobicContact CG-CG2 4.04Å
277R96Very high85.9Confident170 Ų17065 Ų6564%0.64233%0.326SS*.EExtended strand (participates in β ladder)trans-99.7123.6161.4-65.1178.3175167.4-2.4107V291 V292R277-V291 CarbonylContact O-C 3.47Å; R277-V291 WeakPolarHBondContact O-CA 3.49Å; R277-V292 HydrophobicContact CB-CB 4.31Å; R277-V292 PolarHBondContact N-O 3.38Å; R277-V292 PolarHBondContact O-N 3.09Å
278H94.9Very high87.1Confident37 Ų3769.8 Ų69.817%0.17134%0.343CS..EExtended strand (participates in β ladder)trans-130.2156.8-179.361.582.2000111.2D290 V291 I371 T416H278-D290 CarbonylContact C-O 3.52Å; H278-D290 WeakPolarHBondContact CA-O 3.2Å; H278-V291 HydrophobicContact CB-CG2 4.36Å; H278-I371 HydrophobicContact CB-CD1 4.34Å; H278-T416 VanDerWaalsContact CE1-CA 3.49Å; H278-T416 WeakPolarHBondContact CE1-CA 3.26Å
279N93.9Very high88.6Confident91 Ų9165.5 Ų65.549%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-137.3111168.1179.923.2000107.6D290N279-D290 HydrophobicContact CB-CB 4.36Å; N279-D290 PolarHBondContact N-O 2.79Å; N279-D290 PolarHBondContact O-N 3.16Å
280V91.9Very high90.2Very high17 Ų1760.7 Ų60.710%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-116.9124.6-178.7-175.50000109.1L282 R288 L289 T416V280-L282 HydrophobicContact CG1-CG 4.4Å; V280-R288 WeakPolarHBondContact CA-O 3.21Å; V280-L289 HydrophobicContact CG2-CD1 3.52Å; V280-T416 VanDerWaalsContact CG2-CB 3.49Å; V280-T416 HydrophobicContact CG2-CG2 3.84Å
281L90.6Very high91.3Very high74 Ų7458.5 Ų58.539%0.38727%0.268SS..EExtended strand (participates in β ladder)trans-139.6108.9179.8-177.271.1000108.4R283 G287 R288L281-R283 HydrophobicContact CD1-CG 4.38Å; L281-R283 HydrophobicContact CG-CG 4.2Å; L281-G287 CarbonylContact O-C 3.58Å; L281-G287 WeakPolarHBondContact O-CA 3.19Å; L281-R288 PolarHBondContact N-O 2.84Å; L281-R288 PolarHBondContact O-N 3.17Å
282L88.6Confident91.9Very high14 Ų1457.9 Ų57.97%0.07326%0.261CS..EExtended strand (participates in β ladder)trans-107.8126.6173.6-58.1178.4000108.6V280 P312 I356 L358 P366V280-L282 HydrophobicContact CG1-CG 4.4Å; L282-P312 HydrophobicContact CD1-CG 4.07Å; L282-I356 HydrophobicContact CD2-CD1 3.68Å; L282-I356 HydrophobicContact CD2-CG2 4.29Å; L282-L358 HydrophobicContact CB-CD1 4.37Å; L282-P366 HydrophobicContact CD1-CB 3.94Å
283R85.3Confident92.1Very high152 Ų15257.4 Ų57.457%0.57426%0.259SS*.EExtended strand (participates in β ladder)trans-134.3162.8179.2-64.5-176.5175.7-174.90.8109.9L281 R285 G286 L358L281-R283 HydrophobicContact CD1-CG 4.38Å; L281-R283 HydrophobicContact CG-CG 4.2Å; R283-R285 PolarHBondContact O-N 2.95Å; R283-G286 CarbonylContact C-O 3.51Å; R283-G286 WeakPolarHBondContact CA-O 3.2Å; R283-G286 WeakPolarHBondContact CB-O 3.39Å; R283-G286 PolarHBondContact N-O 2.85Å; R283-G286 CarbonylContact O-C 3.47Å; R283-G286 PolarHBondContact O-N 2.93Å; R283-L358 WeakPolarHBondContact O-CD1 3.15Å
284E78.5Confident92.3Very high130 Ų13058.3 Ų58.361%0.60726%0.264SS*.THydrogen-bonded Turntrans-52.5-32.2-179.4-66.7172.3-168.300114.7
285R79.4Confident92.3Very high252 Ų25259.8 Ų59.895%0.95127%0.274SS*.THydrogen-bonded Turntrans-94.66.1-177.6-62.5-171.9-174.6-167.60.8114.4R283R283-R285 PolarHBondContact O-N 2.95Å
286G87.4Confident92.1Very high16 Ų1662.2 Ų62.217%0.16528%0.282CS..EExtended strand (participates in β ladder)trans134.4-179.2-176.500000112.5R283 I356R283-G286 CarbonylContact C-O 3.51Å; R283-G286 WeakPolarHBondContact CA-O 3.2Å; R283-G286 WeakPolarHBondContact CB-O 3.39Å; R283-G286 PolarHBondContact N-O 2.85Å; R283-G286 CarbonylContact O-C 3.47Å; R283-G286 PolarHBondContact O-N 2.93Å; G286-I356 CarbonylContact C-O 3.55Å; G286-I356 VanDerWaalsContact CA-O 3.23Å; G286-I356 WeakPolarHBondContact CA-O 3.44Å
287G90.9Very high91.9Very high12 Ų1262.1 Ų62.112%0.12428%0.282CS..EExtended strand (participates in β ladder)trans-148.2176.3-175.500000114.1L281 I356L281-G287 CarbonylContact O-C 3.58Å; L281-G287 WeakPolarHBondContact O-CA 3.19Å; G287-I356 PolarHBondContact N-O 2.89Å; G287-I356 PolarHBondContact O-N 3.37Å
288R93.8Very high91.4Very high105 Ų10562.4 Ų62.440%0.39629%0.293SS..EExtended strand (participates in β ladder)trans-141.6136.2-179.4-175.4173.8-178.5113.37.2109.1V280 L281 D290 S354V280-R288 WeakPolarHBondContact CA-O 3.21Å; L281-R288 PolarHBondContact N-O 2.84Å; L281-R288 PolarHBondContact O-N 3.17Å; R288-D290 IonicContact CZ-OD1 3.53Å; R288-D290 IonicContact CZ-OD2 3.11Å; R288-D290 IonicContact NE-OD1 3.17Å; R288-D290 PolarHBondContact NE-OD1 2.88Å; R288-D290 IonicContact NE-OD2 2.69Å; R288-D290 PolarHBondContact NE-OD2 2.93Å; R288-D290 IonicContact NH2-OD1 3.31Å; R288-D290 PolarHBondContact NH2-OD1 3.03Å; R288-D290 IonicContact NH2-OD2 2.7Å; R288-D290 PolarHBondContact NH2-OD2 2.76Å; R288-S354 WeakPolarHBondContact CA-O 3.42Å; R288-S354 WeakPolarHBondContact CG-O 3.48Å
289L94.6Very high91.1Very high1 Ų163.2 Ų63.21%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-132.5102171.7162.567.5000107.3V280 V291 I309 L311 I318 F336 S354 I356 I371V280-L289 HydrophobicContact CG2-CD1 3.52Å; L289-V291 HydrophobicContact CD1-CG2 3.72Å; L289-V291 HydrophobicContact CG-CG2 4.3Å; L289-I309 HydrophobicContact CD1-CD1 4.36Å; L289-I309 HydrophobicContact CD2-CD1 3.67Å; L289-L311 HydrophobicContact CD2-CD2 4.47Å; L289-I318 HydrophobicContact CD2-CD1 4.06Å; L289-F336 HydrophobicContact CD2-CD1 4.32Å; L289-F336 HydrophobicContact CD2-CE1 4.38Å; L289-S354 WeakPolarHBondContact CA-OG 3.38Å; L289-S354 VanDerWaalsContact CB-OG 3.31Å; L289-S354 WeakPolarHBondContact CB-OG 3.07Å; L289-S354 PolarHBondContact N-OG 2.89Å; L289-S354 WeakPolarHBondContact O-CB 3.41Å; L289-S354 PolarHBondContact O-N 3.45Å; L289-S354 PolarHBondContact O-OG 3.27Å; L289-I356 HydrophobicContact CB-CD1 3.85Å; L289-I371 HydrophobicContact CD1-CD1 4.47Å
290D96.6Very high91.2Very high25 Ų2562.8 Ų62.813%0.13431%0.305CS..EExtended strand (participates in β ladder)trans-105.4136.6172.6-66-16.7000109.6H278 N279 R288 M352 K353H278-D290 CarbonylContact C-O 3.52Å; H278-D290 WeakPolarHBondContact CA-O 3.2Å; N279-D290 HydrophobicContact CB-CB 4.36Å; N279-D290 PolarHBondContact N-O 2.79Å; N279-D290 PolarHBondContact O-N 3.16Å; R288-D290 IonicContact CZ-OD1 3.53Å; R288-D290 IonicContact CZ-OD2 3.11Å; R288-D290 IonicContact NE-OD1 3.17Å; R288-D290 PolarHBondContact NE-OD1 2.88Å; R288-D290 IonicContact NE-OD2 2.69Å; R288-D290 PolarHBondContact NE-OD2 2.93Å; R288-D290 IonicContact NH2-OD1 3.31Å; R288-D290 PolarHBondContact NH2-OD1 3.03Å; R288-D290 IonicContact NH2-OD2 2.7Å; R288-D290 PolarHBondContact NH2-OD2 2.76Å; D290-M352 VanDerWaalsContact CA-O 3.32Å; D290-M352 WeakPolarHBondContact CA-O 3.26Å; D290-K353 VanDerWaalsContact OD1-CA 3.26Å; D290-K353 WeakPolarHBondContact OD1-CA 3.49Å; D290-K353 WeakPolarHBondContact OD1-CB 3.48Å
291V97.5Very high91.4Very high0 Ų063.2 Ų63.20%031%0.308CS..EExtended strand (participates in β ladder)trans-136.7138.2178.8-173.10000110.1L276 R277 H278 L289 L307 W338 S351 M352 I371L276-V291 HydrophobicContact CD1-CG1 4.48Å; L276-V291 HydrophobicContact CD2-CG1 4.29Å; R277-V291 CarbonylContact O-C 3.47Å; R277-V291 WeakPolarHBondContact O-CA 3.49Å; H278-V291 HydrophobicContact CB-CG2 4.36Å; L289-V291 HydrophobicContact CD1-CG2 3.72Å; L289-V291 HydrophobicContact CG-CG2 4.3Å; V291-L307 HydrophobicContact CB-CD1 4.45Å; V291-L307 HydrophobicContact CG1-CD1 3.64Å; V291-W338 HydrophobicContact CB-CZ3 4.26Å; V291-W338 HydrophobicContact CG1-CZ3 4.29Å; V291-S351 CarbonylContact O-C 3.54Å; V291-S351 VanDerWaalsContact O-CA 3.27Å; V291-S351 WeakPolarHBondContact O-CA 3.36Å; V291-M352 PolarHBondContact N-O 3.08Å; V291-M352 PolarHBondContact O-N 3.31Å; V291-I371 HydrophobicContact CG2-CD1 3.95Å
292V97.9Very high91.7Very high47 Ų4759.7 Ų59.729%0.28529%0.29SS..EExtended strand (participates in β ladder)trans-125.4124.7169.7-176.40000108.6R277 V294 N349 P350R277-V292 HydrophobicContact CB-CB 4.31Å; R277-V292 PolarHBondContact N-O 3.38Å; R277-V292 PolarHBondContact O-N 3.09Å; V292-V294 HydrophobicContact CG1-CG2 4.22Å; V292-N349 HydrophobicContact CG1-CB 3.89Å; V292-P350 CarbonylContact C-O 3.49Å; V292-P350 WeakPolarHBondContact CA-O 3.49Å
293V97.6Very high92.1Very high0 Ų062 Ų620%030%0.301CS..EExtended strand (participates in β ladder)trans-94120.2177.9-172.80000109.2I274 L276 L307 W338 I340 I343 N349 P350I274-V293 HydrophobicContact CD1-CG1 4.42Å; I274-V293 HydrophobicContact CG2-CG1 3.8Å; L276-V293 HydrophobicContact CD2-CB 4.13Å; L276-V293 HydrophobicContact CD2-CG1 4.05Å; L276-V293 HydrophobicContact CD2-CG2 3.71Å; V293-L307 HydrophobicContact CG2-CD1 4.14Å; V293-W338 HydrophobicContact CG2-CH2 4.07Å; V293-W338 HydrophobicContact CG2-CZ3 3.74Å; V293-I340 HydrophobicContact CB-CD1 4.38Å; V293-I340 HydrophobicContact CG2-CD1 3.61Å; V293-I343 HydrophobicContact CG1-CD1 3.95Å; V293-N349 WeakPolarHBondContact O-CB 3.36Å; V293-P350 HydrophobicContact CB-CB 4.3Å; V293-P350 HydrophobicContact CG2-CB 4.5Å; V293-P350 PolarHBondContact N-O 2.74Å
294V95.9Very high92.7Very high19 Ų1959.7 Ų59.712%0.11530%0.299CS..EExtended strand (participates in β ladder)trans-114.3102.7-178.4-174.90000109.6I275 V292I275-V294 HydrophobicContact CB-CB 4.33Å; I275-V294 PolarHBondContact N-O 2.8Å; I275-V294 PolarHBondContact O-N 3.46Å; V292-V294 HydrophobicContact CG1-CG2 4.22Å
295P95Very high93.7Very high32 Ų3253.5 Ų53.521%0.20827%0.27CS..EExtended strand (participates in β ladder)trans-73.8135.5175.331.8-36.4000112I274 T297 V302 I343I274-P295 HydrophobicContact CD1-CB 3.95Å; P295-T297 HydrophobicContact CB-CG2 4.45Å; P295-V302 HydrophobicContact CB-CG2 4.03Å; P295-I343 HydrophobicContact CG-CG2 3.97Å
296K92.3Very high94.6Very high102 Ų10244.1 Ų44.144%0.44324%0.237SC..  trans-124.961.8174.4-74-166.6173.2178.10110.6P273 I275P273-K296 CarbonylContact O-C 3.58Å; P273-K296 PolarHBondContact O-N 3.38Å; I275-K296 HydrophobicContact CD1-CD 3.61Å; I275-K296 VanDerWaalsContact CD1-CE 3.43Å; I275-K296 HydrophobicContact CD1-CG 4.4Å; I275-K296 HydrophobicContact CG1-CD 4.38Å
297T90.7Very high95.1Very high9 Ų943.4 Ų43.46%0.05523%0.229CC..SBendtrans-110.618.8-168.755.70000114.1P273 P295 G299 K300 V302 I377P273-T297 HydrophobicContact CB-CG2 4.18Å; P273-T297 WeakPolarHBondContact O-CG2 3.31Å; P295-T297 HydrophobicContact CB-CG2 4.45Å; T297-G299 VanDerWaalsContact C-N 3.25Å; T297-G299 PolarHBondContact O-N 3.2Å; T297-K300 WeakPolarHBondContact CB-O 3.3Å; T297-K300 WeakPolarHBondContact O-CB 3.28Å; T297-K300 WeakPolarHBondContact O-CG 3.48Å; T297-K300 PolarHBondContact O-N 2.94Å; T297-K300 PolarHBondContact OG1-O 3.32Å; T297-V302 HydrophobicContact CG2-CG2 3.64Å; T297-I377 HydrophobicContact CG2-CD1 3.65Å; T297-I377 HydrophobicContact CG2-CG1 4.13Å; T297-I377 HydrophobicContact CG2-CG2 4.19Å
298M86.2Confident95.4Very high175 Ų17544.1 Ų44.186%0.86223%0.231SC*.THydrogen-bonded Turntrans51.841.2177.4-57.8-60.1-70.800113.6
299G89.7Confident95.6Very high55 Ų5539.2 Ų39.257%0.56721%0.212SC*.THydrogen-bonded Turntrans79.819.9179.300000114.7T297 T345T297-G299 VanDerWaalsContact C-N 3.25Å; T297-G299 PolarHBondContact O-N 3.2Å; G299-T345 VanDerWaalsContact O-CG2 3.26Å; G299-T345 WeakPolarHBondContact O-CG2 3.33Å
300K94.4Very high95.6Very high81 Ų8144.2 Ų44.235%0.35224%0.236SC..  trans-97.8138.3168.4-59.2-61.9-174.8177.70111T297 I377 Q379 F380T297-K300 WeakPolarHBondContact CB-O 3.3Å; T297-K300 WeakPolarHBondContact O-CB 3.28Å; T297-K300 WeakPolarHBondContact O-CG 3.48Å; T297-K300 PolarHBondContact O-N 2.94Å; T297-K300 PolarHBondContact OG1-O 3.32Å; K300-I377 HydrophobicContact CB-CG2 3.84Å; K300-Q379 WeakPolarHBondContact CE-O 3.48Å; K300-F380 HydrophobicContact CG-CB 4.25Å; K300-F380 HydrophobicContact CG-CD2 4.16Å
301P96.1Very high95.5Very high26 Ų2643.2 Ų43.217%0.16923%0.23CC..  trans-66.6156.1174.530.9-35.5000110.4R342 I343P301-R342 VanDerWaalsContact CB-NH2 3.32Å; P301-I343 WeakPolarHBondContact CA-O 3.16Å
302V97.6Very high95.3Very high1 Ų143.5 Ų43.51%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-114.1131.4174.1-164.40000108.7I274 P295 T297 V305 R342 I343 F375 I377I274-V302 HydrophobicContact CD1-CG1 4.17Å; I274-V302 HydrophobicContact CD1-CG2 4.08Å; P295-V302 HydrophobicContact CB-CG2 4.03Å; T297-V302 HydrophobicContact CG2-CG2 3.64Å; V302-V305 HydrophobicContact CB-CG2 3.83Å; V302-V305 HydrophobicContact CG1-CG2 3.36Å; V302-R342 CarbonylContact O-C 3.47Å; V302-R342 VanDerWaalsContact O-CA 3.3Å; V302-R342 WeakPolarHBondContact O-CA 3.46Å; V302-I343 HydrophobicContact CB-CB 4.33Å; V302-I343 PolarHBondContact N-O 2.76Å; V302-I343 PolarHBondContact O-N 2.87Å; V302-F375 HydrophobicContact CG1-CB 3.71Å; V302-F375 HydrophobicContact CG1-CD2 4.44Å; V302-F375 HydrophobicContact CG1-CG 4.34Å; V302-I377 HydrophobicContact CG1-CG1 4.02Å; V302-I377 HydrophobicContact CG2-CG1 4.34Å
303E97.7Very high95.1Very high63 Ų6345.9 Ų45.929%0.29425%0.249SC..EExtended strand (participates in β ladder)trans-114.9163.1-178.1-65.6174.3-17400110.8V305 G341 R342 F375 C376E303-V305 PolarHBondContact O-N 2.8Å; E303-V305 VanDerWaalsContact O-N 3.12Å; E303-G341 CarbonylContact C-O 3.55Å; E303-R342 VanDerWaalsContact CD-NH1 3.3Å; E303-R342 HydrophobicContact CG-CG 4.43Å; E303-R342 IonicContact OE1-CZ 3.86Å; E303-R342 IonicContact OE1-NH1 2.62Å; E303-R342 PolarHBondContact OE1-NH1 2.85Å; E303-F375 CarbonylContact O-C 3.53Å; E303-C376 PolarHBondContact N-O 2.78Å; E303-C376 PolarHBondContact O-N 2.9Å
304N97.7Very high94.8Very high102 Ų10248.2 Ų48.255%0.54526%0.26SS..EExtended strand (participates in β ladder)trans50.735.6178-56.1-29.7000113.2K306 G341 N374N304-K306 PolarHBondContact O-N 2.86Å; N304-G341 PolarHBondContact N-O 2.85Å; N304-N374 CarbonylContact O-C 3.59Å
305V98.4Very high94.7Very high0 Ų047.3 Ų47.30%025%0.254CS..EExtended strand (participates in β ladder)trans-74.8113.9-178.1-171.30000109V302 E303 I340 G341 I343 N374 F375V302-V305 HydrophobicContact CB-CG2 3.83Å; V302-V305 HydrophobicContact CG1-CG2 3.36Å; E303-V305 PolarHBondContact O-N 2.8Å; E303-V305 VanDerWaalsContact O-N 3.12Å; V305-I340 HydrophobicContact CB-CB 4.06Å; V305-I340 HydrophobicContact CB-CG2 4.32Å; V305-I340 HydrophobicContact CG1-CB 4.25Å; V305-I340 HydrophobicContact CG1-CD1 3.84Å; V305-I340 WeakPolarHBondContact O-CB 3.36Å; V305-I340 PolarHBondContact O-N 2.78Å; V305-G341 PolarHBondContact N-O 3.13Å; V305-G341 PolarHBondContact O-N 3.02Å; V305-I343 HydrophobicContact CB-CD1 4.29Å; V305-I343 HydrophobicContact CB-CG1 4.5Å; V305-I343 HydrophobicContact CG1-CD1 4.05Å; V305-I343 HydrophobicContact CG2-CD1 3.89Å; V305-I343 HydrophobicContact CG2-CG1 4.03Å; V305-N374 VanDerWaalsContact CA-O 3.29Å; V305-N374 WeakPolarHBondContact CA-O 3.27Å; V305-F375 HydrophobicContact CG2-CB 4.19Å
306K98.4Very high94.6Very high56 Ų5650.3 Ų50.324%0.24327%0.268CS..EExtended strand (participates in β ladder)trans-139.9129.8-179.5-177.7175.3179.9172.50110.3N304 Q337 W338 N374N304-K306 PolarHBondContact O-N 2.86Å; K306-Q337 VanDerWaalsContact CE-OE1 3.3Å; K306-W338 CarbonylContact C-O 3.57Å; K306-W338 WeakPolarHBondContact CA-O 3.49Å; K306-N374 HydrophobicContact CB-CB 4.41Å; K306-N374 PolarHBondContact N-O 2.96Å; K306-N374 PolarHBondContact O-N 2.92Å
307L98.4Very high94.7Very high0 Ų048.6 Ų48.60%026%0.264CS..EExtended strand (participates in β ladder)trans-99132.3169.3-54.6-167.8000109.3L276 V291 V293 Q337 W338 I371 L372 V373L276-L307 HydrophobicContact CD1-CD1 4.12Å; L276-L307 HydrophobicContact CD1-CD2 4.05Å; L276-L307 HydrophobicContact CD2-CD1 4.27Å; L276-L307 HydrophobicContact CD2-CD2 4.27Å; V291-L307 HydrophobicContact CB-CD1 4.45Å; V291-L307 HydrophobicContact CG1-CD1 3.64Å; V293-L307 HydrophobicContact CG2-CD1 4.14Å; L307-Q337 CarbonylContact O-C 3.51Å; L307-Q337 WeakPolarHBondContact O-CA 3.35Å; L307-W338 HydrophobicContact CB-CB 4.38Å; L307-W338 HydrophobicContact CD1-CE3 3.62Å; L307-W338 HydrophobicContact CD1-CZ3 3.95Å; L307-W338 HydrophobicContact CG-CE3 4.1Å; L307-W338 PolarHBondContact N-O 2.92Å; L307-W338 PolarHBondContact O-N 2.75Å; L307-I371 HydrophobicContact CB-CG2 4.04Å; L307-I371 HydrophobicContact CD1-CG2 4.1Å; L307-I371 HydrophobicContact CD2-CG2 4.18Å; L307-I371 HydrophobicContact CG-CG2 4.35Å; L307-L372 CarbonylContact C-O 3.55Å; L307-L372 WeakPolarHBondContact CA-O 3.42Å; L307-V373 HydrophobicContact CD2-CB 4.06Å; L307-V373 HydrophobicContact CD2-CG1 3.66Å; L307-V373 HydrophobicContact CD2-CG2 3.89Å
308T98Very high94.9Very high28 Ų2848.7 Ų48.717%0.17226%0.264CS..EExtended strand (participates in β ladder)trans-123.2127.7176-58.20000108.6L335 Q337 L372T308-L335 HydrophobicContact CG2-CD1 3.41Å; T308-L335 VanDerWaalsContact CG2-CD1 3.41Å; T308-L335 HydrophobicContact CG2-CD2 4.41Å; T308-L335 HydrophobicContact CG2-CG 4.07Å; T308-Q337 HydrophobicContact CG2-CG 4.23Å; T308-L372 PolarHBondContact N-O 2.85Å; T308-L372 PolarHBondContact O-N 2.94Å
309I97.1Very high95.4Very high1 Ų144.2 Ų44.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-132.3117-171.4-52.4180000107.5L289 L311 F336 P369 I371L289-I309 HydrophobicContact CD1-CD1 4.36Å; L289-I309 HydrophobicContact CD2-CD1 3.67Å; I309-L311 HydrophobicContact CG2-CD2 3.8Å; I309-L311 HydrophobicContact CG2-CG 4.42Å; I309-L311 PolarHBondContact O-N 2.81Å; I309-F336 HydrophobicContact CB-CB 4.47Å; I309-F336 HydrophobicContact CB-CD1 4.42Å; I309-F336 HydrophobicContact CD1-CD1 4.12Å; I309-F336 PolarHBondContact N-O 3.12Å; I309-F336 PolarHBondContact O-N 3.25Å; I309-P369 HydrophobicContact CG2-CB 3.62Å; I309-P369 HydrophobicContact CG2-CG 3.86Å; I309-I371 HydrophobicContact CD1-CB 4.48Å; I309-I371 HydrophobicContact CD1-CD1 4.13Å; I309-I371 HydrophobicContact CD1-CG1 3.79Å; I309-I371 HydrophobicContact CD1-CG2 4.18Å; I309-I371 HydrophobicContact CG1-CB 4.25Å; I309-I371 HydrophobicContact CG1-CG1 3.95Å; I309-I371 HydrophobicContact CG1-CG2 3.99Å
310Q95Very high95.8Very high106 Ų10642.6 Ų42.650%0.49523%0.227SC..EExtended strand (participates in β ladder)trans-80.9105.4170.6-174.563.234.900107.9T333 P369Q310-T333 PolarHBondContact NE2-O 2.83Å; Q310-P369 VanDerWaalsContact O-CB 3.24Å; Q310-P369 WeakPolarHBondContact O-CB 3.18Å
311L94.9Very high95.9Very high4 Ų442.8 Ų42.82%0.02124%0.239CC..  trans-79.1152.2-179.6-66.1178.1000110.9L289 I309 V315 I318 F329 K334 F336 P369L289-L311 HydrophobicContact CD2-CD2 4.47Å; I309-L311 HydrophobicContact CG2-CD2 3.8Å; I309-L311 HydrophobicContact CG2-CG 4.42Å; I309-L311 PolarHBondContact O-N 2.81Å; L311-V315 HydrophobicContact CB-CB 4.28Å; L311-V315 HydrophobicContact CB-CG2 4.12Å; L311-V315 HydrophobicContact CD1-CG1 4.04Å; L311-I318 HydrophobicContact CD1-CB 4.39Å; L311-I318 HydrophobicContact CD1-CD1 4.18Å; L311-I318 HydrophobicContact CD1-CG2 4.14Å; L311-F329 HydrophobicContact CD1-CD2 4.14Å; L311-F329 HydrophobicContact CD1-CE2 3.74Å; L311-F329 HydrophobicContact CD1-CZ 4.38Å; L311-K334 HydrophobicContact CB-CB 4.48Å; L311-K334 PolarHBondContact N-O 2.63Å; L311-K334 WeakPolarHBondContact O-CB 3.38Å; L311-F336 HydrophobicContact CD1-CB 3.69Å; L311-F336 HydrophobicContact CD1-CG 4.39Å; L311-F336 HydrophobicContact CG-CB 4.02Å; L311-P369 HydrophobicContact CD2-CB 4.4Å; L311-P369 HydrophobicContact CD2-CG 4.17Å
312P93.3Very high96Very high7 Ų743.3 Ų43.35%0.04524%0.243CC..  trans-59.7151.5175-23.734.9000112.4L282 E314 V315 P366 S367L282-P312 HydrophobicContact CD1-CG 4.07Å; P312-E314 WeakPolarHBondContact CB-OE2 3.36Å; P312-E314 PolarHBondContact O-N 2.97Å; P312-E314 VanDerWaalsContact O-N 3.12Å; P312-V315 WeakPolarHBondContact O-CB 3.28Å; P312-V315 PolarHBondContact O-N 2.85Å; P312-P366 HydrophobicContact CB-CB 3.98Å; P312-P366 HydrophobicContact CG-CB 4.07Å; P312-S367 WeakPolarHBondContact CG-O 3.46Å
313P92.1Very high96Very high96 Ų9646.5 Ų46.562%0.62327%0.265SS*.THydrogen-bonded Turntrans-59.6-24.5-179.224.1-33.5000113.6V315 K334P313-V315 PolarHBondContact O-N 3.41Å; P313-K334 WeakPolarHBondContact O-CE 3.48Å
314E91.8Very high96Very high49 Ų4946.7 Ų46.723%0.22927%0.27CS..THydrogen-bonded Turntrans-66.4-17.1177.4-61.877-167.300113.4P312 L316 L358 V359 L362 P366P312-E314 WeakPolarHBondContact CB-OE2 3.36Å; P312-E314 PolarHBondContact O-N 2.97Å; P312-E314 VanDerWaalsContact O-N 3.12Å; E314-L316 PolarHBondContact O-N 3.13Å; E314-L358 HydrophobicContact CB-CD2 3.87Å; E314-L358 CarbonylContact O-C 3.6Å; E314-L358 WeakPolarHBondContact O-CA 3.31Å; E314-V359 HydrophobicContact CB-CG1 3.94Å; E314-V359 HydrophobicContact CG-CG1 4.21Å; E314-V359 PolarHBondContact O-N 2.6Å; E314-L362 HydrophobicContact CB-CD1 4.45Å; E314-L362 HydrophobicContact CB-CD2 4.04Å; E314-L362 HydrophobicContact CG-CD1 4.49Å; E314-L362 HydrophobicContact CG-CD2 3.42Å; E314-L362 VanDerWaalsContact CG-CD2 3.42Å; E314-P366 HydrophobicContact CB-CG 4.16Å; E314-P366 HydrophobicContact CG-CG 4.18Å
315V93.4Very high96Very high0 Ų043.9 Ų43.90%027%0.265CS..EExtended strand (participates in β ladder)trans-75.2117.3179.8177.30000110.6L311 P312 P313 F329 K334 I356 L358L311-V315 HydrophobicContact CB-CB 4.28Å; L311-V315 HydrophobicContact CB-CG2 4.12Å; L311-V315 HydrophobicContact CD1-CG1 4.04Å; P312-V315 WeakPolarHBondContact O-CB 3.28Å; P312-V315 PolarHBondContact O-N 2.85Å; P313-V315 PolarHBondContact O-N 3.41Å; V315-F329 HydrophobicContact CG1-CZ 4.07Å; V315-K334 WeakPolarHBondContact O-CE 3.33Å; V315-K334 PolarHBondContact O-NZ 2.88Å; V315-I356 HydrophobicContact CB-CG2 4.3Å; V315-I356 HydrophobicContact CG1-CG2 3.75Å; V315-I356 HydrophobicContact CG2-CG2 3.7Å; V315-L358 HydrophobicContact CB-CD2 4.47Å; V315-L358 HydrophobicContact CG2-CD2 3.71Å
316L93.6Very high96Very high95 Ų9553.8 Ų53.850%0.49730%0.303SS..EExtended strand (participates in β ladder)trans-83.4-44.8174.5-64.5179000111.3E314 D357 V359E314-L316 PolarHBondContact O-N 3.13Å; L316-D357 PolarHBondContact N-O 2.85Å; L316-V359 HydrophobicContact CG-CB 4.46Å
317N94.3Very high95.9Very high67 Ų6753.5 Ų53.536%0.35831%0.305SS..EExtended strand (participates in β ladder)trans-152.5158.8-177.8-167.728.5000111.7D357N317-D357 HydrophobicContact CB-CB 4.3Å; N317-D357 PolarHBondContact N-O 2.85Å; N317-D357 PolarHBondContact O-N 3.27Å
318I95.8Very high95.9Very high11 Ų1156.6 Ų56.66%0.05633%0.327CS..EExtended strand (participates in β ladder)trans-134.8121.4171.1-177.7169.8000109.3L289 L311 F329 F336 S355 I356L289-I318 HydrophobicContact CD2-CD1 4.06Å; L311-I318 HydrophobicContact CD1-CB 4.39Å; L311-I318 HydrophobicContact CD1-CD1 4.18Å; L311-I318 HydrophobicContact CD1-CG2 4.14Å; I318-F329 HydrophobicContact CG2-CB 3.69Å; I318-F329 HydrophobicContact CG2-CD1 3.82Å; I318-F329 HydrophobicContact CG2-CD2 3.9Å; I318-F329 HydrophobicContact CG2-CE1 4.43Å; I318-F329 HydrophobicContact CG2-CG 3.52Å; I318-F336 HydrophobicContact CD1-CD1 4.04Å; I318-F336 HydrophobicContact CD1-CD2 4.07Å; I318-F336 HydrophobicContact CD1-CE1 3.98Å; I318-F336 HydrophobicContact CD1-CE2 4.01Å; I318-F336 HydrophobicContact CD1-CG 4.08Å; I318-F336 HydrophobicContact CD1-CZ 3.97Å; I318-F336 HydrophobicContact CG1-CE2 4.36Å; I318-F336 HydrophobicContact CG2-CD2 3.49Å; I318-F336 VanDerWaalsContact CG2-CD2 3.49Å; I318-F336 HydrophobicContact CG2-CE2 3.84Å; I318-F336 HydrophobicContact CG2-CG 4.19Å; I318-S355 WeakPolarHBondContact CA-O 3.21Å; I318-I356 HydrophobicContact CB-CG1 4.39Å; I318-I356 HydrophobicContact CD1-CD1 4.35Å; I318-I356 HydrophobicContact CD1-CG1 3.98Å; I318-I356 HydrophobicContact CG1-CG1 3.98Å
319T96.5Very high95.9Very high81 Ų8157.2 Ų57.250%0.49733%0.327SS..EExtended strand (participates in β ladder)trans-100.5108.1173.6-58.30000108.5S354 S355T319-S354 CarbonylContact O-C 3.55Å; T319-S354 WeakPolarHBondContact O-CA 3.49Å; T319-S354 WeakPolarHBondContact O-CB 3.11Å; T319-S355 PolarHBondContact N-O 2.88Å; T319-S355 PolarHBondContact O-N 3.47Å
320A97.1Very high95.9Very high20 Ų2060.4 Ų60.417%0.16535%0.345CS..EExtended strand (participates in β ladder)trans-109.9141.3-176.900000112.4T327 F336 M352 K353A320-T327 HydrophobicContact CB-CG2 3.95Å; A320-F336 HydrophobicContact CB-CE2 4.04Å; A320-F336 HydrophobicContact CB-CZ 3.69Å; A320-M352 HydrophobicContact CB-CG 4.15Å; A320-M352 HydrophobicContact CB-SD 3.75Å; A320-K353 WeakPolarHBondContact CA-O 3.47Å
321S97.6Very high95.8Very high85 Ų8559 Ų5959%0.59434%0.343SS*.EExtended strand (participates in β ladder)trans-120.685.4174-60.50000109.2K353S321-K353 PolarHBondContact N-O 2.97Å; S321-K353 PolarHBondContact O-N 3.38Å
322P97.9Very high95.8Very high38 Ų3864.9 Ų64.925%0.24738%0.379CS..EExtended strand (participates in β ladder)trans-75.3144.2176.533.6-36.9000111.2V324 T327 W338 M352P322-V324 VanDerWaalsContact C-N 3.3Å; P322-V324 WeakPolarHBondContact CB-O 3.23Å; P322-T327 HydrophobicContact CB-CG2 4.17Å; P322-T327 HydrophobicContact CG-CG2 3.94Å; P322-W338 HydrophobicContact CB-CZ2 4.41Å; P322-M352 HydrophobicContact CB-CB 4.45Å; P322-M352 HydrophobicContact CB-CG 4.15Å
323S97.8Very high95.9Very high68 Ų6867.9 Ų67.948%0.47640%0.398SS..SBendtrans-72.3-27.5174.169.10000112.5S351S323-S351 WeakPolarHBondContact CB-O 3.29Å; S323-S351 PolarHBondContact N-O 2.84Å; S323-S351 PolarHBondContact OG-N 2.92Å; S323-S351 PolarHBondContact OG-O 2.85Å
324V97.2Very high96Very high66 Ų6665 Ų6540%0.438%0.375SS..SBendtrans-149.1156.6179-67.10000109.8P322 W338 I340 P350P322-V324 VanDerWaalsContact C-N 3.3Å; P322-V324 WeakPolarHBondContact CB-O 3.23Å; V324-W338 PolarHBondContact O-NE1 2.9Å; V324-I340 HydrophobicContact CG2-CG2 3.98Å; V324-P350 HydrophobicContact CG2-CB 3.63Å; V324-P350 HydrophobicContact CG2-CG 3.9Å
325G97.2Very high96.3Very high43 Ų4365 Ų6544%0.44338%0.377SS..SBendtrans76.3-162.7178.100000113.2D339G325-D339 CarbonylContact C-O 3.58Å; G325-D339 WeakPolarHBondContact CA-O 3.04Å
326R97.8Very high96.5Very high209 Ų20965.1 Ų65.179%0.78938%0.377SS*.EExtended strand (participates in β ladder)trans-130.4149.1-175.1-64.2179.8-179.9174.1-0.3110.6W338 D339R326-W338 WeakPolarHBondContact O-CA 3.28Å; R326-D339 PolarHBondContact N-O 3.19Å; R326-D339 PolarHBondContact O-N 2.62Å
327T98.1Very high96.7Very high49 Ų4962.5 Ų62.530%0.30136%0.363SS..EExtended strand (participates in β ladder)trans-114.1149.1172.956.70000110.2A320 P322 F336 Q337 W338 M352A320-T327 HydrophobicContact CB-CG2 3.95Å; P322-T327 HydrophobicContact CB-CG2 4.17Å; P322-T327 HydrophobicContact CG-CG2 3.94Å; T327-F336 HydrophobicContact CG2-CE2 4.21Å; T327-F336 HydrophobicContact CG2-CZ 3.77Å; T327-Q337 CarbonylContact C-O 3.37Å; T327-Q337 WeakPolarHBondContact CA-O 3.44Å; T327-W338 HydrophobicContact CG2-CB 4.1Å; T327-W338 HydrophobicContact CG2-CG 4.12Å; T327-M352 HydrophobicContact CG2-CE 4.15Å; T327-M352 HydrophobicContact CG2-SD 4.23Å
328S97.6Very high96.9Very high65 Ų6559.4 Ų59.446%0.45535%0.346SS..EExtended strand (participates in β ladder)trans-141145.4172.355.10000109.4F336 Q337S328-F336 WeakPolarHBondContact O-CA 3.28Å; S328-F336 VanDerWaalsContact O-CD2 3.27Å; S328-F336 WeakPolarHBondContact O-CD2 3.41Å; S328-Q337 PolarHBondContact N-O 2.69Å; S328-Q337 PolarHBondContact O-N 3.25Å
329F97.9Very high97.1Very high41 Ų4162.6 Ų62.618%0.1836%0.363CS..EExtended strand (participates in β ladder)trans-131.1123.5174.9179.9-131.2000109.3L311 V315 I318 V331 K334 F336L311-F329 HydrophobicContact CD1-CD2 4.14Å; L311-F329 HydrophobicContact CD1-CE2 3.74Å; L311-F329 HydrophobicContact CD1-CZ 4.38Å; V315-F329 HydrophobicContact CG1-CZ 4.07Å; I318-F329 HydrophobicContact CG2-CB 3.69Å; I318-F329 HydrophobicContact CG2-CD1 3.82Å; I318-F329 HydrophobicContact CG2-CD2 3.9Å; I318-F329 HydrophobicContact CG2-CE1 4.43Å; I318-F329 HydrophobicContact CG2-CG 3.52Å; F329-V331 HydrophobicContact CD1-CG2 3.89Å; F329-V331 HydrophobicContact CE1-CB 4.33Å; F329-V331 HydrophobicContact CE1-CG2 3.78Å; F329-K334 HydrophobicContact CZ-CD 4.14Å; F329-F336 HydrophobicContact CB-CD2 4.05Å; F329-F336 HydrophobicContact CD2-CB 4.01Å
330D96.9Very high97.1Very high69 Ų6959.3 Ų59.337%0.36934%0.342SS..EExtended strand (participates in β ladder)trans-94.6110.9168.3179-7.5000109.3T332 T333 K334 L335D330-T332 PolarHBondContact O-N 3.12Å; D330-T332 WeakPolarHBondContact OD1-CA 3.44Å; D330-T332 WeakPolarHBondContact OD1-CB 3.13Å; D330-T332 PolarHBondContact OD1-N 3.05Å; D330-T333 VanDerWaalsContact CB-OG1 3.28Å; D330-T333 WeakPolarHBondContact CB-OG1 3.38Å; D330-T333 PolarHBondContact OD1-N 3.34Å; D330-T333 VanDerWaalsContact OD2-CG2 3.28Å; D330-T333 WeakPolarHBondContact OD2-CG2 3.31Å; D330-T333 PolarHBondContact OD2-OG1 2.87Å; D330-K334 WeakPolarHBondContact O-CA 3.38Å; D330-K334 PolarHBondContact O-N 2.89Å; D330-L335 PolarHBondContact N-O 2.77Å; D330-L335 PolarHBondContact O-N 3.28Å
331V93.5Very high97.2Very high76 Ų7659.6 Ų59.646%0.46135%0.347SS..THydrogen-bonded Turntrans-65.3-26.2-177.8-177.90000112.1F329 K334F329-V331 HydrophobicContact CD1-CG2 3.89Å; F329-V331 HydrophobicContact CE1-CB 4.33Å; F329-V331 HydrophobicContact CE1-CG2 3.78Å; V331-K334 WeakPolarHBondContact O-CD 3.27Å; V331-K334 WeakPolarHBondContact O-CE 3.35Å; V331-K334 PolarHBondContact O-NZ 2.96Å
332T94.5Very high97.1Very high127 Ų12760.9 Ų60.978%0.77934%0.339SS*.THydrogen-bonded Turntrans-80.8-54.3-178.1-50.60000110.6D330 K334D330-T332 PolarHBondContact O-N 3.12Å; D330-T332 WeakPolarHBondContact OD1-CA 3.44Å; D330-T332 WeakPolarHBondContact OD1-CB 3.13Å; D330-T332 PolarHBondContact OD1-N 3.05Å; T332-K334 VanDerWaalsContact C-N 3.28Å; T332-K334 PolarHBondContact O-N 2.9Å
333T94.9Very high97.1Very high71 Ų7159.2 Ų59.244%0.43633%0.328SS..THydrogen-bonded Turntrans-81.6-8.6-179.660.70000113Q310 D330 L335Q310-T333 PolarHBondContact NE2-O 2.83Å; D330-T333 VanDerWaalsContact CB-OG1 3.28Å; D330-T333 WeakPolarHBondContact CB-OG1 3.38Å; D330-T333 PolarHBondContact OD1-N 3.34Å; D330-T333 VanDerWaalsContact OD2-CG2 3.28Å; D330-T333 WeakPolarHBondContact OD2-CG2 3.31Å; D330-T333 PolarHBondContact OD2-OG1 2.87Å; T333-L335 PolarHBondContact O-N 2.82Å; T333-L335 WeakPolarHBondContact OG1-CB 3.48Å
334K95.2Very high96.9Very high35 Ų3560.2 Ų60.215%0.15233%0.325CS..THydrogen-bonded Turntrans58.623.4-173-53.4-63.1-178.8-165.70113.6L311 P313 V315 F329 D330 V331 T332L311-K334 HydrophobicContact CB-CB 4.48Å; L311-K334 PolarHBondContact N-O 2.63Å; L311-K334 WeakPolarHBondContact O-CB 3.38Å; P313-K334 WeakPolarHBondContact O-CE 3.48Å; V315-K334 WeakPolarHBondContact O-CE 3.33Å; V315-K334 PolarHBondContact O-NZ 2.88Å; F329-K334 HydrophobicContact CZ-CD 4.14Å; D330-K334 WeakPolarHBondContact O-CA 3.38Å; D330-K334 PolarHBondContact O-N 2.89Å; V331-K334 WeakPolarHBondContact O-CD 3.27Å; V331-K334 WeakPolarHBondContact O-CE 3.35Å; V331-K334 PolarHBondContact O-NZ 2.96Å; T332-K334 VanDerWaalsContact C-N 3.28Å; T332-K334 PolarHBondContact O-N 2.9Å
335L97Very high96.4Very high49 Ų4960.7 Ų60.726%0.25733%0.328SS..EExtended strand (participates in β ladder)trans-87.6113.5-179.6-164.967.7000110.2T308 D330 T333 Q337T308-L335 HydrophobicContact CG2-CD1 3.41Å; T308-L335 VanDerWaalsContact CG2-CD1 3.41Å; T308-L335 HydrophobicContact CG2-CD2 4.41Å; T308-L335 HydrophobicContact CG2-CG 4.07Å; D330-L335 PolarHBondContact N-O 2.77Å; D330-L335 PolarHBondContact O-N 3.28Å; T333-L335 PolarHBondContact O-N 2.82Å; T333-L335 WeakPolarHBondContact OG1-CB 3.48Å; L335-Q337 HydrophobicContact CD2-CG 4.36Å; L335-Q337 HydrophobicContact CG-CG 4.18Å
336F98Very high96Very high2 Ų268.4 Ų68.41%0.00935%0.349CS..EExtended strand (participates in β ladder)trans-100.8133.6170.7178.5-109.5000110.4L289 I309 L311 I318 A320 T327 S328 F329 M352L289-F336 HydrophobicContact CD2-CD1 4.32Å; L289-F336 HydrophobicContact CD2-CE1 4.38Å; I309-F336 HydrophobicContact CB-CB 4.47Å; I309-F336 HydrophobicContact CB-CD1 4.42Å; I309-F336 HydrophobicContact CD1-CD1 4.12Å; I309-F336 PolarHBondContact N-O 3.12Å; I309-F336 PolarHBondContact O-N 3.25Å; L311-F336 HydrophobicContact CD1-CB 3.69Å; L311-F336 HydrophobicContact CD1-CG 4.39Å; L311-F336 HydrophobicContact CG-CB 4.02Å; I318-F336 HydrophobicContact CD1-CD1 4.04Å; I318-F336 HydrophobicContact CD1-CD2 4.07Å; I318-F336 HydrophobicContact CD1-CE1 3.98Å; I318-F336 HydrophobicContact CD1-CE2 4.01Å; I318-F336 HydrophobicContact CD1-CG 4.08Å; I318-F336 HydrophobicContact CD1-CZ 3.97Å; I318-F336 HydrophobicContact CG1-CE2 4.36Å; I318-F336 HydrophobicContact CG2-CD2 3.49Å; I318-F336 VanDerWaalsContact CG2-CD2 3.49Å; I318-F336 HydrophobicContact CG2-CE2 3.84Å; I318-F336 HydrophobicContact CG2-CG 4.19Å; A320-F336 HydrophobicContact CB-CE2 4.04Å; A320-F336 HydrophobicContact CB-CZ 3.69Å; T327-F336 HydrophobicContact CG2-CE2 4.21Å; T327-F336 HydrophobicContact CG2-CZ 3.77Å; S328-F336 WeakPolarHBondContact O-CA 3.28Å; S328-F336 VanDerWaalsContact O-CD2 3.27Å; S328-F336 WeakPolarHBondContact O-CD2 3.41Å; F329-F336 HydrophobicContact CB-CD2 4.05Å; F329-F336 HydrophobicContact CD2-CB 4.01Å; F336-M352 HydrophobicContact CE1-CE 3.73Å; F336-M352 HydrophobicContact CE1-SD 3.71Å; F336-M352 HydrophobicContact CZ-CE 3.97Å; F336-M352 HydrophobicContact CZ-SD 3.61Å
337Q98.3Very high95.7Very high41 Ų4160.7 Ų60.719%0.19233%0.328CS..EExtended strand (participates in β ladder)trans-130139.7-178.3-62-173.9-28.700111K306 L307 T308 T327 S328 L335K306-Q337 VanDerWaalsContact CE-OE1 3.3Å; L307-Q337 CarbonylContact O-C 3.51Å; L307-Q337 WeakPolarHBondContact O-CA 3.35Å; T308-Q337 HydrophobicContact CG2-CG 4.23Å; T327-Q337 CarbonylContact C-O 3.37Å; T327-Q337 WeakPolarHBondContact CA-O 3.44Å; S328-Q337 PolarHBondContact N-O 2.69Å; S328-Q337 PolarHBondContact O-N 3.25Å; L335-Q337 HydrophobicContact CD2-CG 4.36Å; L335-Q337 HydrophobicContact CG-CG 4.18Å
338W98.6Very high95.5Very high1 Ų163.8 Ų63.80%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-122.2107.5168.1178.526.3000109.5V291 V293 K306 L307 P322 V324 R326 T327 I340 P350 S351 M352V291-W338 HydrophobicContact CB-CZ3 4.26Å; V291-W338 HydrophobicContact CG1-CZ3 4.29Å; V293-W338 HydrophobicContact CG2-CH2 4.07Å; V293-W338 HydrophobicContact CG2-CZ3 3.74Å; K306-W338 CarbonylContact C-O 3.57Å; K306-W338 WeakPolarHBondContact CA-O 3.49Å; L307-W338 HydrophobicContact CB-CB 4.38Å; L307-W338 HydrophobicContact CD1-CE3 3.62Å; L307-W338 HydrophobicContact CD1-CZ3 3.95Å; L307-W338 HydrophobicContact CG-CE3 4.1Å; L307-W338 PolarHBondContact N-O 2.92Å; L307-W338 PolarHBondContact O-N 2.75Å; P322-W338 HydrophobicContact CB-CZ2 4.41Å; V324-W338 PolarHBondContact O-NE1 2.9Å; R326-W338 WeakPolarHBondContact O-CA 3.28Å; T327-W338 HydrophobicContact CG2-CB 4.1Å; T327-W338 HydrophobicContact CG2-CG 4.12Å; W338-I340 HydrophobicContact CD2-CD1 3.85Å; W338-I340 HydrophobicContact CD2-CG1 3.67Å; W338-I340 HydrophobicContact CE3-CD1 3.89Å; W338-I340 HydrophobicContact CE3-CG1 4.24Å; W338-I340 HydrophobicContact CG-CG1 4.12Å; W338-I340 HydrophobicContact CH2-CD1 3.77Å; W338-I340 HydrophobicContact CH2-CG1 4.2Å; W338-I340 HydrophobicContact CZ2-CD1 3.73Å; W338-I340 HydrophobicContact CZ2-CG1 3.61Å; W338-I340 HydrophobicContact CZ3-CD1 3.86Å; W338-I340 HydrophobicContact CZ3-CG1 4.49Å; W338-P350 HydrophobicContact CH2-CB 3.75Å; W338-P350 HydrophobicContact CZ2-CB 3.8Å; W338-S351 VanDerWaalsContact CH2-C 3.49Å; W338-M352 HydrophobicContact CB-CE 3.36Å; W338-M352 HydrophobicContact CD2-CB 4.23Å; W338-M352 HydrophobicContact CD2-CE 3.27Å; W338-M352 HydrophobicContact CE3-CB 4.07Å; W338-M352 HydrophobicContact CE3-CE 3.21Å; W338-M352 HydrophobicContact CG-CE 3.37Å; W338-M352 HydrophobicContact CH2-CB 3.94Å; W338-M352 HydrophobicContact CZ2-CB 4.09Å; W338-M352 HydrophobicContact CZ3-CB 3.92Å; W338-M352 HydrophobicContact CZ3-CE 4.05Å
339D98.5Very high95.5Very high78 Ų7864 Ų6442%0.41734%0.344SS..EExtended strand (participates in β ladder)trans-93.6102.8176.2-168.2-17.3000109.2G325 R326 G341G325-D339 CarbonylContact C-O 3.58Å; G325-D339 WeakPolarHBondContact CA-O 3.04Å; R326-D339 PolarHBondContact N-O 3.19Å; R326-D339 PolarHBondContact O-N 2.62Å; D339-G341 PolarHBondContact OD1-N 2.86Å; D339-G341 VanDerWaalsContact OD1-N 3.07Å
340I98.4Very high95.5Very high12 Ų1262.1 Ų62.16%0.06234%0.337CS..EExtended strand (participates in β ladder)trans-81.9-28.5178-65.6164.3000110.1V293 V305 V324 W338 R342 I343 P350V293-I340 HydrophobicContact CB-CD1 4.38Å; V293-I340 HydrophobicContact CG2-CD1 3.61Å; V305-I340 HydrophobicContact CB-CB 4.06Å; V305-I340 HydrophobicContact CB-CG2 4.32Å; V305-I340 HydrophobicContact CG1-CB 4.25Å; V305-I340 HydrophobicContact CG1-CD1 3.84Å; V305-I340 WeakPolarHBondContact O-CB 3.36Å; V305-I340 PolarHBondContact O-N 2.78Å; V324-I340 HydrophobicContact CG2-CG2 3.98Å; W338-I340 HydrophobicContact CD2-CD1 3.85Å; W338-I340 HydrophobicContact CD2-CG1 3.67Å; W338-I340 HydrophobicContact CE3-CD1 3.89Å; W338-I340 HydrophobicContact CE3-CG1 4.24Å; W338-I340 HydrophobicContact CG-CG1 4.12Å; W338-I340 HydrophobicContact CH2-CD1 3.77Å; W338-I340 HydrophobicContact CH2-CG1 4.2Å; W338-I340 HydrophobicContact CZ2-CD1 3.73Å; W338-I340 HydrophobicContact CZ2-CG1 3.61Å; W338-I340 HydrophobicContact CZ3-CD1 3.86Å; W338-I340 HydrophobicContact CZ3-CG1 4.49Å; I340-R342 PolarHBondContact O-N 2.8Å; I340-R342 VanDerWaalsContact O-N 3.1Å; I340-I343 HydrophobicContact CG2-CD1 4.23Å; I340-I343 HydrophobicContact CG2-CG1 3.75Å; I340-P350 HydrophobicContact CD1-CB 3.93Å; I340-P350 HydrophobicContact CD1-CG 4.45Å; I340-P350 HydrophobicContact CG1-CB 4.35Å; I340-P350 HydrophobicContact CG2-CB 4.21Å; I340-P350 HydrophobicContact CG2-CG 3.91Å
341G97.3Very high95.5Very high26 Ų2661 Ų6127%0.26833%0.334SS..EExtended strand (participates in β ladder)trans72.8-93.3-172.900000111.6E303 N304 V305 D339E303-G341 CarbonylContact C-O 3.55Å; N304-G341 PolarHBondContact N-O 2.85Å; V305-G341 PolarHBondContact N-O 3.13Å; V305-G341 PolarHBondContact O-N 3.02Å; D339-G341 PolarHBondContact OD1-N 2.86Å; D339-G341 VanDerWaalsContact OD1-N 3.07Å
342R96.9Very high95.8Very high112 Ų11257.4 Ų57.442%0.42331%0.312SS..EExtended strand (participates in β ladder)trans-126.6133.5-170.4-175.5-179.6174.687.81.8112P301 V302 E303 I340 E344P301-R342 VanDerWaalsContact CB-NH2 3.32Å; V302-R342 CarbonylContact O-C 3.47Å; V302-R342 VanDerWaalsContact O-CA 3.3Å; V302-R342 WeakPolarHBondContact O-CA 3.46Å; E303-R342 VanDerWaalsContact CD-NH1 3.3Å; E303-R342 HydrophobicContact CG-CG 4.43Å; E303-R342 IonicContact OE1-CZ 3.86Å; E303-R342 IonicContact OE1-NH1 2.62Å; E303-R342 PolarHBondContact OE1-NH1 2.85Å; I340-R342 PolarHBondContact O-N 2.8Å; I340-R342 VanDerWaalsContact O-N 3.1Å; R342-E344 IonicContact CZ-OE1 3.31Å; R342-E344 VanDerWaalsContact CZ-OE1 3.31Å; R342-E344 IonicContact NE-OE1 2.69Å; R342-E344 PolarHBondContact NE-OE1 3.03Å; R342-E344 IonicContact NH2-OE1 3.06Å; R342-E344 PolarHBondContact NH2-OE1 3.17Å; R342-E344 IonicContact NH2-OE2 3.74Å
343I97Very high95.9Very high4 Ų457.5 Ų57.52%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-110.4115174.3-51.1175.5000109V293 P295 P301 V302 V305 I340 P350V293-I343 HydrophobicContact CG1-CD1 3.95Å; P295-I343 HydrophobicContact CG-CG2 3.97Å; P301-I343 WeakPolarHBondContact CA-O 3.16Å; V302-I343 HydrophobicContact CB-CB 4.33Å; V302-I343 PolarHBondContact N-O 2.76Å; V302-I343 PolarHBondContact O-N 2.87Å; V305-I343 HydrophobicContact CB-CD1 4.29Å; V305-I343 HydrophobicContact CB-CG1 4.5Å; V305-I343 HydrophobicContact CG1-CD1 4.05Å; V305-I343 HydrophobicContact CG2-CD1 3.89Å; V305-I343 HydrophobicContact CG2-CG1 4.03Å; I340-I343 HydrophobicContact CG2-CD1 4.23Å; I340-I343 HydrophobicContact CG2-CG1 3.75Å; I343-P350 HydrophobicContact CD1-CG 3.69Å; I343-P350 HydrophobicContact CG1-CG 3.79Å; I343-P350 HydrophobicContact CG2-CG 4.34Å
344E94.7Very high96Very high88 Ų8854.6 Ų54.641%0.41128%0.284SS..  trans-83.5149.7174-70.9-66.117600111.3R342 K346 S347R342-E344 IonicContact CZ-OE1 3.31Å; R342-E344 VanDerWaalsContact CZ-OE1 3.31Å; R342-E344 IonicContact NE-OE1 2.69Å; R342-E344 PolarHBondContact NE-OE1 3.03Å; R342-E344 IonicContact NH2-OE1 3.06Å; R342-E344 PolarHBondContact NH2-OE1 3.17Å; R342-E344 IonicContact NH2-OE2 3.74Å; E344-K346 VanDerWaalsContact C-N 3.26Å; E344-K346 PolarHBondContact O-N 2.88Å; E344-K346 VanDerWaalsContact O-N 3.17Å; E344-S347 PolarHBondContact N-OG 2.82Å; E344-S347 WeakPolarHBondContact O-CB 3.24Å; E344-S347 PolarHBondContact O-N 2.75Å; E344-S347 PolarHBondContact O-OG 2.61Å
345T87.1Confident96Very high76 Ų7656.1 Ų56.147%0.46630%0.299SS..THydrogen-bonded Turntrans-62.8-28.3-170.855.70000114.8G299G299-T345 VanDerWaalsContact O-CG2 3.26Å; G299-T345 WeakPolarHBondContact O-CG2 3.33Å
346K87.7Confident95.9Very high205 Ų20553.9 Ų53.989%0.89129%0.288SS*.THydrogen-bonded Turntrans-100.4-0.1179.2-62.5-177.1-179.9179.80113.2E344E344-K346 VanDerWaalsContact C-N 3.26Å; E344-K346 PolarHBondContact O-N 2.88Å; E344-K346 VanDerWaalsContact O-N 3.17Å
347S91.1Very high95.7Very high47 Ų4757.3 Ų57.333%0.32931%0.306SS..SBendtrans-75.3149.4179.467.60000110.8E344E344-S347 PolarHBondContact N-OG 2.82Å; E344-S347 WeakPolarHBondContact O-CB 3.24Å; E344-S347 PolarHBondContact O-N 2.75Å; E344-S347 PolarHBondContact O-OG 2.61Å
348P94.9Very high95.4Very high114 Ų11456 Ų5674%0.7430%0.301SS*.PPolyproline II helixtrans-60.5146.6169.527.2-34.3000109.9P350P348-P350 WeakPolarHBondContact O-CD 3.17Å
349N97Very high95Very high69 Ų6958.9 Ų58.937%0.36932%0.318SS..PPolyproline II helixtrans-53.9125.4177.5-69.4-24.9000110.5V292 V293 S351V292-N349 HydrophobicContact CG1-CB 3.89Å; V293-N349 WeakPolarHBondContact O-CB 3.36Å; N349-S351 PolarHBondContact O-N 2.79Å
350P98Very high94.4Very high2 Ų260.4 Ų60.41%0.01334%0.335CS..PPolyproline II helixtrans-53.7133.1173.7-2835.8000110.5V292 V293 V324 W338 I340 I343 P348V292-P350 CarbonylContact C-O 3.49Å; V292-P350 WeakPolarHBondContact CA-O 3.49Å; V293-P350 HydrophobicContact CB-CB 4.3Å; V293-P350 HydrophobicContact CG2-CB 4.5Å; V293-P350 PolarHBondContact N-O 2.74Å; V324-P350 HydrophobicContact CG2-CB 3.63Å; V324-P350 HydrophobicContact CG2-CG 3.9Å; W338-P350 HydrophobicContact CH2-CB 3.75Å; W338-P350 HydrophobicContact CZ2-CB 3.8Å; I340-P350 HydrophobicContact CD1-CB 3.93Å; I340-P350 HydrophobicContact CD1-CG 4.45Å; I340-P350 HydrophobicContact CG1-CB 4.35Å; I340-P350 HydrophobicContact CG2-CB 4.21Å; I340-P350 HydrophobicContact CG2-CG 3.91Å; I343-P350 HydrophobicContact CD1-CG 3.69Å; I343-P350 HydrophobicContact CG1-CG 3.79Å; I343-P350 HydrophobicContact CG2-CG 4.34Å; P348-P350 WeakPolarHBondContact O-CD 3.17Å
351S97.9Very high93.8Very high45 Ų4563.4 Ų63.432%0.31537%0.368SS..EExtended strand (participates in β ladder)trans-134.1151.4176.360.60000110.5V291 S323 W338 N349V291-S351 CarbonylContact O-C 3.54Å; V291-S351 VanDerWaalsContact O-CA 3.27Å; V291-S351 WeakPolarHBondContact O-CA 3.36Å; S323-S351 WeakPolarHBondContact CB-O 3.29Å; S323-S351 PolarHBondContact N-O 2.84Å; S323-S351 PolarHBondContact OG-N 2.92Å; S323-S351 PolarHBondContact OG-O 2.85Å; W338-S351 VanDerWaalsContact CH2-C 3.49Å; N349-S351 PolarHBondContact O-N 2.79Å
352M97.9Very high93Very high2 Ų263.5 Ų63.51%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-138.7134.4173.8-174.1-143.5-47.500108.1D290 V291 A320 P322 T327 F336 W338D290-M352 VanDerWaalsContact CA-O 3.32Å; D290-M352 WeakPolarHBondContact CA-O 3.26Å; V291-M352 PolarHBondContact N-O 3.08Å; V291-M352 PolarHBondContact O-N 3.31Å; A320-M352 HydrophobicContact CB-CG 4.15Å; A320-M352 HydrophobicContact CB-SD 3.75Å; P322-M352 HydrophobicContact CB-CB 4.45Å; P322-M352 HydrophobicContact CB-CG 4.15Å; T327-M352 HydrophobicContact CG2-CE 4.15Å; T327-M352 HydrophobicContact CG2-SD 4.23Å; F336-M352 HydrophobicContact CE1-CE 3.73Å; F336-M352 HydrophobicContact CE1-SD 3.71Å; F336-M352 HydrophobicContact CZ-CE 3.97Å; F336-M352 HydrophobicContact CZ-SD 3.61Å; W338-M352 HydrophobicContact CB-CE 3.36Å; W338-M352 HydrophobicContact CD2-CB 4.23Å; W338-M352 HydrophobicContact CD2-CE 3.27Å; W338-M352 HydrophobicContact CE3-CB 4.07Å; W338-M352 HydrophobicContact CE3-CE 3.21Å; W338-M352 HydrophobicContact CG-CE 3.37Å; W338-M352 HydrophobicContact CH2-CB 3.94Å; W338-M352 HydrophobicContact CZ2-CB 4.09Å; W338-M352 HydrophobicContact CZ3-CB 3.92Å; W338-M352 HydrophobicContact CZ3-CE 4.05Å
353K97.5Very high92.2Very high129 Ų12964.8 Ų64.856%0.56138%0.383SS*.EExtended strand (participates in β ladder)trans-110.4142.5167.2-64.9179.9177.3176.40108.7D290 A320 S321D290-K353 VanDerWaalsContact OD1-CA 3.26Å; D290-K353 WeakPolarHBondContact OD1-CA 3.49Å; D290-K353 WeakPolarHBondContact OD1-CB 3.48Å; A320-K353 WeakPolarHBondContact CA-O 3.47Å; S321-K353 PolarHBondContact N-O 2.97Å; S321-K353 PolarHBondContact O-N 3.38Å
354S96.1Very high91.5Very high9 Ų969.3 Ų69.36%0.06341%0.411CS..EExtended strand (participates in β ladder)trans-142.3153176.571.40000113.2R288 L289 T319R288-S354 WeakPolarHBondContact CA-O 3.42Å; R288-S354 WeakPolarHBondContact CG-O 3.48Å; L289-S354 WeakPolarHBondContact CA-OG 3.38Å; L289-S354 VanDerWaalsContact CB-OG 3.31Å; L289-S354 WeakPolarHBondContact CB-OG 3.07Å; L289-S354 PolarHBondContact N-OG 2.89Å; L289-S354 WeakPolarHBondContact O-CB 3.41Å; L289-S354 PolarHBondContact O-N 3.45Å; L289-S354 PolarHBondContact O-OG 3.27Å; T319-S354 CarbonylContact O-C 3.55Å; T319-S354 WeakPolarHBondContact O-CA 3.49Å; T319-S354 WeakPolarHBondContact O-CB 3.11Å
355S95.7Very high90.9Very high67 Ų6771.1 Ų71.147%0.46942%0.423SS..EExtended strand (participates in β ladder)trans-112.2133.1167.9-168.90000108.6I318 T319I318-S355 WeakPolarHBondContact CA-O 3.21Å; T319-S355 PolarHBondContact N-O 2.88Å; T319-S355 PolarHBondContact O-N 3.47Å
356I95.5Very high90.7Very high2 Ų268 Ų681%0.0141%0.405CS..EExtended strand (participates in β ladder)trans-111.3128.8-177.9-63.3173.4000108.5L282 G286 G287 L289 V315 I318 L358L282-I356 HydrophobicContact CD2-CD1 3.68Å; L282-I356 HydrophobicContact CD2-CG2 4.29Å; G286-I356 CarbonylContact C-O 3.55Å; G286-I356 VanDerWaalsContact CA-O 3.23Å; G286-I356 WeakPolarHBondContact CA-O 3.44Å; G287-I356 PolarHBondContact N-O 2.89Å; G287-I356 PolarHBondContact O-N 3.37Å; L289-I356 HydrophobicContact CB-CD1 3.85Å; V315-I356 HydrophobicContact CB-CG2 4.3Å; V315-I356 HydrophobicContact CG1-CG2 3.75Å; V315-I356 HydrophobicContact CG2-CG2 3.7Å; I318-I356 HydrophobicContact CB-CG1 4.39Å; I318-I356 HydrophobicContact CD1-CD1 4.35Å; I318-I356 HydrophobicContact CD1-CG1 3.98Å; I318-I356 HydrophobicContact CG1-CG1 3.98Å; I356-L358 HydrophobicContact CG2-CD2 4.3Å; I356-L358 HydrophobicContact CG2-CG 4.21Å
357D93.6Very high90.7Very high74 Ų7462.5 Ų62.540%0.39639%0.392SS..EExtended strand (participates in β ladder)trans-97.6124.5173-58.1-40.9000108.7L316 N317L316-D357 PolarHBondContact N-O 2.85Å; N317-D357 HydrophobicContact CB-CB 4.3Å; N317-D357 PolarHBondContact N-O 2.85Å; N317-D357 PolarHBondContact O-N 3.27Å
358L92.1Very high90.6Very high15 Ų1563.5 Ų63.58%0.07939%0.393CS..EExtended strand (participates in β ladder)trans-107.4155.1-178.3-71.7164.2000110.5L282 R283 E314 V315 I356 L362 P366L282-L358 HydrophobicContact CB-CD1 4.37Å; R283-L358 WeakPolarHBondContact O-CD1 3.15Å; E314-L358 HydrophobicContact CB-CD2 3.87Å; E314-L358 CarbonylContact O-C 3.6Å; E314-L358 WeakPolarHBondContact O-CA 3.31Å; V315-L358 HydrophobicContact CB-CD2 4.47Å; V315-L358 HydrophobicContact CG2-CD2 3.71Å; I356-L358 HydrophobicContact CG2-CD2 4.3Å; I356-L358 HydrophobicContact CG2-CG 4.21Å; L358-L362 HydrophobicContact CB-CD1 4.26Å; L358-L362 HydrophobicContact CD1-CD1 4.41Å; L358-P366 HydrophobicContact CD1-CG 4.47Å; L358-P366 HydrophobicContact CD2-CG 4.2Å
359V90Very high90.5Very high60 Ų6058.6 Ų58.636%0.36436%0.361SS..  trans-58.4140.7168.767.30000110.3E314 L316 L362E314-V359 HydrophobicContact CB-CG1 3.94Å; E314-V359 HydrophobicContact CG-CG1 4.21Å; E314-V359 PolarHBondContact O-N 2.6Å; L316-V359 HydrophobicContact CG-CB 4.46Å; V359-L362 HydrophobicContact CG1-CD2 3.56Å; V359-L362 HydrophobicContact CG1-CG 4.14Å
360S86.3Confident90.4Very high110 Ų11057.8 Ų57.877%0.76936%0.359SS*.SBendtrans-74.9150.7179-61.90000111.7
361G84.5Confident90.4Very high75 Ų7557.7 Ų57.777%0.77336%0.358SS*.SBendtrans80.729.1172.600000115.4T363G361-T363 PolarHBondContact O-N 2.88Å
362L81.2Confident90.4Very high28 Ų2859.2 Ų59.215%0.14736%0.363CS..  trans-63128.8176.3-67.8172.8000111.9E314 L358 V359 P366E314-L362 HydrophobicContact CB-CD1 4.45Å; E314-L362 HydrophobicContact CB-CD2 4.04Å; E314-L362 HydrophobicContact CG-CD1 4.49Å; E314-L362 HydrophobicContact CG-CD2 3.42Å; E314-L362 VanDerWaalsContact CG-CD2 3.42Å; L358-L362 HydrophobicContact CB-CD1 4.26Å; L358-L362 HydrophobicContact CD1-CD1 4.41Å; V359-L362 HydrophobicContact CG1-CD2 3.56Å; V359-L362 HydrophobicContact CG1-CG 4.14Å; L362-P366 HydrophobicContact CD1-CG 3.92Å
363T80.9Confident90.4Very high140 Ų14059.4 Ų59.486%0.85936%0.364SS*.SBendtrans-88-21.4174.4520000112.9G361G361-T363 PolarHBondContact O-N 2.88Å
364T82.6Confident90.4Very high99 Ų9957 Ų5761%0.60736%0.357SS*.SBendtrans-134.5144.5-179.550.50000109.7
365L81.3Confident90.5Very high125 Ų12556.7 Ų56.765%0.65435%0.354SS*.PPolyproline II helixtrans-65.4133.3174.3-71.6168.7000109.9
366P83.3Confident90.6Very high12 Ų1254.3 Ų54.38%0.07834%0.338CS..PPolyproline II helixtrans-60.5146.9174.6-20.731.7000111.1L282 P312 E314 L358 L362L282-P366 HydrophobicContact CD1-CB 3.94Å; P312-P366 HydrophobicContact CB-CB 3.98Å; P312-P366 HydrophobicContact CG-CB 4.07Å; E314-P366 HydrophobicContact CB-CG 4.16Å; E314-P366 HydrophobicContact CG-CG 4.18Å; L358-P366 HydrophobicContact CD1-CG 4.47Å; L358-P366 HydrophobicContact CD2-CG 4.2Å; L362-P366 HydrophobicContact CD1-CG 3.92Å
367S86.8Confident90.7Very high89 Ų8954.2 Ų54.262%0.62234%0.337SS*.PPolyproline II helixtrans-65.6143.6173.956.10000111.1P312P312-S367 WeakPolarHBondContact CG-O 3.46Å
368N89.6Confident90.8Very high68 Ų6852.3 Ų52.336%0.36433%0.329SS..PPolyproline II helixtrans-63.9133.5171.1-80.3-5.8000110.5T416N368-T416 WeakPolarHBondContact CB-O 3.36Å; N368-T416 PolarHBondContact ND2-O 3.07Å; N368-T416 PolarHBondContact ND2-OXT 2.86Å
369P92.9Very high90.9Very high10 Ų1056.2 Ų56.27%0.06535%0.347CS..PPolyproline II helixtrans-73161.8178.732.6-36.9000111.8I309 Q310 L311 T416I309-P369 HydrophobicContact CG2-CB 3.62Å; I309-P369 HydrophobicContact CG2-CG 3.86Å; Q310-P369 VanDerWaalsContact O-CB 3.24Å; Q310-P369 WeakPolarHBondContact O-CB 3.18Å; L311-P369 HydrophobicContact CD2-CB 4.4Å; L311-P369 HydrophobicContact CD2-CG 4.17Å; P369-T416 PolarHBondContact O-OG1 2.77Å
370V94.6Very high91.2Very high53 Ų5355 Ų5532%0.32134%0.336SS..EExtended strand (participates in β ladder)trans-97.7139.5170.1178.90000109L372 E413 R415V370-L372 HydrophobicContact CG1-CD2 4.4Å; V370-E413 HydrophobicContact CG1-CB 4.05Å; V370-R415 HydrophobicContact CG2-CG 4.39Å
371I97.3Very high91.5Very high0 Ų050.4 Ų50.40%030%0.303CS..EExtended strand (participates in β ladder)trans-99.6117.6175.1-52.2177.6000108.6L276 H278 L289 V291 L307 I309 V373 V414 T416L276-I371 HydrophobicContact CD1-CB 4.24Å; L276-I371 HydrophobicContact CD1-CD1 4.37Å; L276-I371 HydrophobicContact CD1-CG2 3.66Å; H278-I371 HydrophobicContact CB-CD1 4.34Å; L289-I371 HydrophobicContact CD1-CD1 4.47Å; V291-I371 HydrophobicContact CG2-CD1 3.95Å; L307-I371 HydrophobicContact CB-CG2 4.04Å; L307-I371 HydrophobicContact CD1-CG2 4.1Å; L307-I371 HydrophobicContact CD2-CG2 4.18Å; L307-I371 HydrophobicContact CG-CG2 4.35Å; I309-I371 HydrophobicContact CD1-CB 4.48Å; I309-I371 HydrophobicContact CD1-CD1 4.13Å; I309-I371 HydrophobicContact CD1-CG1 3.79Å; I309-I371 HydrophobicContact CD1-CG2 4.18Å; I309-I371 HydrophobicContact CG1-CB 4.25Å; I309-I371 HydrophobicContact CG1-CG1 3.95Å; I309-I371 HydrophobicContact CG1-CG2 3.99Å; I371-V373 HydrophobicContact CG2-CG2 4.4Å; I371-V414 HydrophobicContact CB-CB 4.33Å; I371-V414 PolarHBondContact N-O 3.24Å; I371-V414 PolarHBondContact O-N 3.1Å; I371-T416 HydrophobicContact CD1-CG2 3.62Å; I371-T416 HydrophobicContact CG1-CG2 3.73Å
372L98Very high91.9Very high77 Ų7747 Ų4740%0.40327%0.268SS..EExtended strand (participates in β ladder)trans-89.5129.6169.6-57.4179.6000109.4L307 T308 V370 Y412 E413L307-L372 CarbonylContact C-O 3.55Å; L307-L372 WeakPolarHBondContact CA-O 3.42Å; T308-L372 PolarHBondContact N-O 2.85Å; T308-L372 PolarHBondContact O-N 2.94Å; V370-L372 HydrophobicContact CG1-CD2 4.4Å; L372-Y412 WeakPolarHBondContact CA-O 3.43Å; L372-E413 HydrophobicContact CD2-CB 4.4Å; L372-E413 HydrophobicContact CD2-CG 3.69Å
373V98.1Very high92.4Very high5 Ų546 Ų463%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-112.2115.3-176-167.10000109.3I274 L276 L307 I371 F375 A409 Y412 V414I274-V373 HydrophobicContact CG2-CG1 4.21Å; L276-V373 HydrophobicContact CD1-CG2 3.46Å; L276-V373 VanDerWaalsContact CD1-CG2 3.46Å; L276-V373 HydrophobicContact CG-CG2 4.08Å; L307-V373 HydrophobicContact CD2-CB 4.06Å; L307-V373 HydrophobicContact CD2-CG1 3.66Å; L307-V373 HydrophobicContact CD2-CG2 3.89Å; I371-V373 HydrophobicContact CG2-CG2 4.4Å; V373-F375 HydrophobicContact CG1-CD1 3.88Å; V373-F375 HydrophobicContact CG1-CE1 4.31Å; V373-A409 VanDerWaalsContact O-CB 3.23Å; V373-A409 WeakPolarHBondContact O-CB 3.27Å; V373-Y412 HydrophobicContact CB-CD1 3.57Å; V373-Y412 HydrophobicContact CB-CE1 4.26Å; V373-Y412 HydrophobicContact CB-CG 4.01Å; V373-Y412 HydrophobicContact CG1-CD1 4.4Å; V373-Y412 HydrophobicContact CG2-CD1 3.51Å; V373-Y412 HydrophobicContact CG2-CE1 3.94Å; V373-Y412 HydrophobicContact CG2-CG 4.43Å; V373-Y412 PolarHBondContact N-O 2.97Å; V373-Y412 WeakPolarHBondContact O-CB 3.46Å; V373-V414 HydrophobicContact CG2-CG2 4.13Å
374N98.4Very high92.8Very high79 Ų7940.7 Ų40.742%0.42224%0.236SC..EExtended strand (participates in β ladder)trans-102.5140.4169.6-17038000110.2N304 V305 K306N304-N374 CarbonylContact O-C 3.59Å; V305-N374 VanDerWaalsContact CA-O 3.29Å; V305-N374 WeakPolarHBondContact CA-O 3.27Å; K306-N374 HydrophobicContact CB-CB 4.41Å; K306-N374 PolarHBondContact N-O 2.96Å; K306-N374 PolarHBondContact O-N 2.92Å
375F98.1Very high93.3Very high2 Ų236 Ų361%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-164.3163.2174.360.3-96.8000111.7I187 P273 I274 V302 E303 V305 V373 I377 K408 A409 Y412I187-F375 HydrophobicContact CG2-CE2 4.22Å; I187-F375 HydrophobicContact CG2-CZ 3.68Å; P273-F375 HydrophobicContact CG-CE2 3.9Å; P273-F375 HydrophobicContact CG-CZ 3.8Å; I274-F375 HydrophobicContact CB-CD1 4.39Å; I274-F375 HydrophobicContact CB-CE1 4.16Å; I274-F375 HydrophobicContact CG1-CD1 3.75Å; I274-F375 HydrophobicContact CG1-CD2 4.42Å; I274-F375 HydrophobicContact CG1-CE1 3.87Å; I274-F375 HydrophobicContact CG1-CG 4.04Å; I274-F375 HydrophobicContact CG1-CZ 4.27Å; V302-F375 HydrophobicContact CG1-CB 3.71Å; V302-F375 HydrophobicContact CG1-CD2 4.44Å; V302-F375 HydrophobicContact CG1-CG 4.34Å; E303-F375 CarbonylContact O-C 3.53Å; V305-F375 HydrophobicContact CG2-CB 4.19Å; V373-F375 HydrophobicContact CG1-CD1 3.88Å; V373-F375 HydrophobicContact CG1-CE1 4.31Å; F375-I377 HydrophobicContact CD2-CD1 3.98Å; F375-I377 HydrophobicContact CD2-CG1 3.91Å; F375-I377 HydrophobicContact CE2-CD1 3.8Å; F375-I377 HydrophobicContact CE2-CG1 4.22Å; F375-K408 WeakPolarHBondContact O-CA 3.19Å; F375-A409 HydrophobicContact CD1-CB 3.75Å; F375-A409 HydrophobicContact CD2-CB 4.48Å; F375-A409 HydrophobicContact CE1-CB 3.71Å; F375-A409 HydrophobicContact CE2-CB 4.45Å; F375-A409 HydrophobicContact CG-CB 4.15Å; F375-A409 HydrophobicContact CZ-CB 4.09Å; F375-A409 PolarHBondContact O-N 2.69Å; F375-Y412 AromaticContact CE1-CD2 3.58Å; F375-Y412 HydrophobicContact CE1-CD2 3.58Å; F375-Y412 AromaticContact CE1-CE2 3.92Å; F375-Y412 HydrophobicContact CE1-CE2 3.92Å; F375-Y412 HydrophobicContact CE1-CG 4.12Å; F375-Y412 AromaticContact CZ-CD2 3.93Å; F375-Y412 HydrophobicContact CZ-CD2 3.93Å; F375-Y412 HydrophobicContact CZ-CE2 4.15Å
376C98Very high93.8Very high18 Ų1835.7 Ų35.712%0.12220%0.2CC..EExtended strand (participates in β ladder)trans-134.8133.1170.2-178.40000109.4E303 T407 K408E303-C376 PolarHBondContact N-O 2.78Å; E303-C376 PolarHBondContact O-N 2.9Å; C376-T407 CarbonylContact C-O 3.56Å; C376-T407 WeakPolarHBondContact CA-O 3.32Å; C376-K408 HydrophobicContact CB-CG 4.35Å
377I97.3Very high94.4Very high0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-117.998.7177.3-49.2161.6000107.1P273 T297 K300 V302 F375 F380 A406 T407P273-I377 HydrophobicContact CB-CD1 3.48Å; P273-I377 VanDerWaalsContact CB-CD1 3.48Å; P273-I377 HydrophobicContact CG-CD1 3.83Å; T297-I377 HydrophobicContact CG2-CD1 3.65Å; T297-I377 HydrophobicContact CG2-CG1 4.13Å; T297-I377 HydrophobicContact CG2-CG2 4.19Å; K300-I377 HydrophobicContact CB-CG2 3.84Å; V302-I377 HydrophobicContact CG1-CG1 4.02Å; V302-I377 HydrophobicContact CG2-CG1 4.34Å; F375-I377 HydrophobicContact CD2-CD1 3.98Å; F375-I377 HydrophobicContact CD2-CG1 3.91Å; F375-I377 HydrophobicContact CE2-CD1 3.8Å; F375-I377 HydrophobicContact CE2-CG1 4.22Å; I377-F380 HydrophobicContact CB-CB 3.97Å; I377-F380 HydrophobicContact CB-CD1 4.13Å; I377-F380 HydrophobicContact CB-CG 4.35Å; I377-F380 HydrophobicContact CD1-CD1 3.94Å; I377-F380 HydrophobicContact CD1-CE1 4.23Å; I377-F380 HydrophobicContact CG2-CB 3.34Å; I377-F380 HydrophobicContact CG2-CD1 3.93Å; I377-F380 HydrophobicContact CG2-CG 3.72Å; I377-A406 WeakPolarHBondContact O-CA 3.47Å; I377-T407 PolarHBondContact N-O 3.22Å; I377-T407 PolarHBondContact O-N 2.92Å; I377-T407 VanDerWaalsContact O-N 3.08Å
378P96.5Very high94.8Very high33 Ų3334.7 Ų34.721%0.21420%0.195CC..EExtended strand (participates in β ladder)trans-69.2150.9176.729.7-35.4000110.9F380P378-F380 PolarHBondContact O-N 2.87Å
379Q94.4Very high95.1Very high97 Ų9738.6 Ų38.645%0.45321%0.205SC..THydrogen-bonded Turntrans58.131.3179.5-57-63.7-31.500113.3K300 Y405K300-Q379 WeakPolarHBondContact CE-O 3.48Å; Q379-Y405 VanDerWaalsContact CA-O 3.28Å; Q379-Y405 WeakPolarHBondContact CA-O 3.4Å; Q379-Y405 PolarHBondContact N-O 2.91Å
380F94.2Very high95.3Very high34 Ų3438.9 Ų38.915%0.14921%0.207CC..  trans-141.2142.6-177.8-173.8-100000111.4P273 K300 I377 P378 V382 A406 T407P273-F380 HydrophobicContact CB-CE1 4.16Å; K300-F380 HydrophobicContact CG-CB 4.25Å; K300-F380 HydrophobicContact CG-CD2 4.16Å; I377-F380 HydrophobicContact CB-CB 3.97Å; I377-F380 HydrophobicContact CB-CD1 4.13Å; I377-F380 HydrophobicContact CB-CG 4.35Å; I377-F380 HydrophobicContact CD1-CD1 3.94Å; I377-F380 HydrophobicContact CD1-CE1 4.23Å; I377-F380 HydrophobicContact CG2-CB 3.34Å; I377-F380 HydrophobicContact CG2-CD1 3.93Å; I377-F380 HydrophobicContact CG2-CG 3.72Å; P378-F380 PolarHBondContact O-N 2.87Å; F380-V382 HydrophobicContact CE1-CB 3.95Å; F380-A406 CarbonylContact O-C 3.52Å; F380-A406 WeakPolarHBondContact O-CA 3.49Å; F380-A406 PolarHBondContact O-N 3.31Å; F380-T407 WeakPolarHBondContact CD1-OG1 3.32Å; F380-T407 PolarHBondContact O-N 2.62Å; F380-T407 VanDerWaalsContact O-N 3.09Å; F380-T407 PolarHBondContact O-OG1 3.3Å
381I93.7Very high95.4Very high15 Ų1537.9 Ų37.98%0.07720%0.2CC..  trans-131.9120.3176.2-75.3-65.5000106.5L183 E185 S383 G384 L385 Y405 T407L183-I381 HydrophobicContact CB-CD1 4.17Å; L183-I381 HydrophobicContact CD2-CD1 3.8Å; L183-I381 HydrophobicContact CD2-CG1 3.91Å; L183-I381 HydrophobicContact CD2-CG2 4.49Å; L183-I381 HydrophobicContact CG-CD1 3.75Å; L183-I381 HydrophobicContact CG-CG1 4.38Å; L183-I381 WeakPolarHBondContact O-CD1 3.41Å; E185-I381 HydrophobicContact CB-CD1 4.26Å; E185-I381 HydrophobicContact CG-CD1 3.81Å; E185-I381 VanDerWaalsContact OE1-CG2 3.31Å; E185-I381 WeakPolarHBondContact OE1-CG2 3.06Å; E185-I381 WeakPolarHBondContact OE2-CG2 3.31Å; I381-S383 WeakPolarHBondContact CG2-OG 3.41Å; I381-G384 PolarHBondContact O-N 3.4Å; I381-L385 HydrophobicContact CG2-CB 4.34Å; I381-L385 WeakPolarHBondContact CG2-O 3.3Å; I381-Y405 HydrophobicContact CD1-CD1 4.14Å; I381-Y405 HydrophobicContact CG1-CD1 3.42Å; I381-Y405 VanDerWaalsContact CG1-CD1 3.42Å; I381-Y405 HydrophobicContact CG1-CE1 4.32Å; I381-Y405 HydrophobicContact CG1-CG 4.01Å; I381-T407 WeakPolarHBondContact CA-OG1 3.41Å
382V92.7Very high95.4Very high4 Ų439.4 Ų39.42%0.02421%0.207CC..SBendtrans-72.4-37.5-175.359.60000110.9E185 I187 V202 L267 V270 F380 G384 T407E185-V382 HydrophobicContact CB-CG1 4.45Å; E185-V382 WeakPolarHBondContact OE2-CG1 3.4Å; E185-V382 PolarHBondContact OE2-N 3.31Å; I187-V382 HydrophobicContact CD1-CG2 4.29Å; V202-V382 HydrophobicContact CG1-CG1 4.13Å; V202-V382 HydrophobicContact CG2-CG1 3.67Å; L267-V382 HydrophobicContact CD1-CG2 4.36Å; L267-V382 HydrophobicContact CD2-CG2 4.47Å; V270-V382 HydrophobicContact CG1-CG2 3.82Å; V270-V382 WeakPolarHBondContact CG1-O 3.19Å; F380-V382 HydrophobicContact CE1-CB 3.95Å; V382-G384 PolarHBondContact O-N 3.06Å; V382-G384 VanDerWaalsContact O-N 3.16Å; V382-T407 HydrophobicContact CB-CG2 3.98Å; V382-T407 HydrophobicContact CG1-CG2 3.73Å; V382-T407 PolarHBondContact N-OG1 2.88Å
383S91.7Very high95.2Very high6 Ų641 Ų414%0.04221%0.209CC..SBendtrans-64-23.3178.372.50000113.4E185 L227 I381 L385E185-S383 WeakPolarHBondContact OE1-CB 3.43Å; E185-S383 PolarHBondContact OE1-OG 2.91Å; E185-S383 PolarHBondContact OE2-N 3.44Å; L227-S383 VanDerWaalsContact CD1-O 3.26Å; L227-S383 WeakPolarHBondContact CD1-O 3.37Å; I381-S383 WeakPolarHBondContact CG2-OG 3.41Å; S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 WeakPolarHBondContact OG-CB 3.41Å; S383-L385 PolarHBondContact OG-N 2.69Å
384G90.4Very high94.8Very high28 Ų2844.2 Ų44.229%0.28924%0.243SC..  trans79.62.4-169.200000114.2I381 V382I381-G384 PolarHBondContact O-N 3.4Å; V382-G384 PolarHBondContact O-N 3.06Å; V382-G384 VanDerWaalsContact O-N 3.16Å
385L91.7Very high94.5Very high0 Ų043.4 Ų43.40%024%0.237CC..  trans-60.8134.8168.6-166.175.9000109.7L183 F222 T223 I228 Y262 I381 S383L183-L385 HydrophobicContact CD1-CD2 4.45Å; L183-L385 HydrophobicContact CD2-CB 4.48Å; L183-L385 HydrophobicContact CD2-CD2 4.36Å; F222-L385 HydrophobicContact CB-CD1 3.77Å; F222-L385 HydrophobicContact CB-CG 4.29Å; F222-L385 HydrophobicContact CD1-CD1 4.2Å; F222-L385 HydrophobicContact CD1-CD2 3.79Å; F222-L385 HydrophobicContact CD1-CG 3.82Å; F222-L385 HydrophobicContact CE1-CD2 3.98Å; F222-L385 HydrophobicContact CE1-CG 4.47Å; F222-L385 HydrophobicContact CG-CD1 4.1Å; F222-L385 HydrophobicContact CG-CD2 4.3Å; F222-L385 HydrophobicContact CG-CG 4.24Å; T223-L385 WeakPolarHBondContact O-CD1 3.46Å; I228-L385 HydrophobicContact CD1-CD1 3.93Å; I228-L385 HydrophobicContact CD1-CD2 4.15Å; I228-L385 HydrophobicContact CG1-CD1 4.05Å; I228-L385 HydrophobicContact CG1-CD2 4.23Å; Y262-L385 HydrophobicContact CD1-CD2 4.47Å; Y262-L385 HydrophobicContact CD2-CD2 4.19Å; Y262-L385 HydrophobicContact CE1-CD2 3.95Å; Y262-L385 HydrophobicContact CE2-CD2 3.65Å; Y262-L385 VanDerWaalsContact CZ-CD2 3.49Å; I381-L385 HydrophobicContact CG2-CB 4.34Å; I381-L385 WeakPolarHBondContact CG2-O 3.3Å; S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 WeakPolarHBondContact OG-CB 3.41Å; S383-L385 PolarHBondContact OG-N 2.69Å
386K93.2Very high94.1Very high119 Ų11953.6 Ų53.652%0.51728%0.281SS..EExtended strand (participates in β ladder)trans-139.9148.3177.1-68.6-174.2-180178.70110.1F222 T223 A388F222-K386 CarbonylContact C-O 3.39Å; F222-K386 VanDerWaalsContact CA-O 3.23Å; F222-K386 WeakPolarHBondContact CA-O 2.96Å; T223-K386 PolarHBondContact N-O 2.79Å; K386-A388 PolarHBondContact O-N 3.04Å
387I95.6Very high93.9Very high19 Ų1955.4 Ų55.410%0.09729%0.285CS..EExtended strand (participates in β ladder)trans-73.3113.5169.2-62.5174.8000107.1F181 L220 F222 V390 V403 Y405F181-I387 HydrophobicContact CB-CD1 3.73Å; L220-I387 HydrophobicContact CD1-CD1 4.06Å; L220-I387 HydrophobicContact CD1-CG2 4.46Å; L220-I387 HydrophobicContact CD2-CG1 4.23Å; L220-I387 HydrophobicContact CD2-CG2 4.26Å; L220-I387 HydrophobicContact CG-CG2 4.05Å; F222-I387 HydrophobicContact CD1-CG1 4.17Å; F222-I387 HydrophobicContact CE1-CG1 3.97Å; I387-V390 HydrophobicContact CG2-CG2 3.6Å; I387-V403 HydrophobicContact CB-CG1 4.42Å; I387-V403 HydrophobicContact CD1-CG1 3.94Å; I387-V403 HydrophobicContact CD1-CG2 4.42Å; I387-Y405 PolarHBondContact N-OH 2.78Å; I387-Y405 VanDerWaalsContact N-OH 3.12Å
388A95.5Very high93.7Very high61 Ų6165.4 Ų65.450%0.50433%0.329SS..EExtended strand (participates in β ladder)trans-79.1-41.7179.700000111.2A221 T223 K386A221-A388 PolarHBondContact O-N 2.93Å; T223-A388 WeakPolarHBondContact OG1-CB 3.34Å; K386-A388 PolarHBondContact O-N 3.04Å
389R95.5Very high93.6Very high151 Ų15164.9 Ų64.957%0.5733%0.325SS*.EExtended strand (participates in β ladder)trans-155.1140-171.1-169.7170.9175.2178.1-9.4111.2L220 A221 D391L220-R389 WeakPolarHBondContact CA-O 3.29Å; A221-R389 PolarHBondContact N-O 3.22Å; A221-R389 PolarHBondContact O-N 3.17Å; R389-D391 VanDerWaalsContact CD-OD2 3.31Å; R389-D391 WeakPolarHBondContact CD-OD2 3.23Å; R389-D391 WeakPolarHBondContact CG-OD2 3.03Å; R389-D391 IonicContact CZ-OD1 2.74Å; R389-D391 IonicContact CZ-OD2 3.44Å; R389-D391 VanDerWaalsContact CZ-OD2 3.26Å; R389-D391 IonicContact NE-OD1 3.34Å; R389-D391 PolarHBondContact NE-OD1 3.39Å; R389-D391 IonicContact NE-OD2 3.22Å; R389-D391 PolarHBondContact NE-OD2 2.89Å; R389-D391 IonicContact NH2-OD1 2.92Å; R389-D391 PolarHBondContact NH2-OD1 2.85Å; R389-D391 IonicContact NH2-OD2 3.76Å; R389-D391 PolarHBondContact NH2-OD2 2.95Å
390V96.9Very high93.8Very high16 Ų1665.9 Ų65.910%0.09733%0.329CS..EExtended strand (participates in β ladder)trans-129.2116.7169.4-179.60000108.1F181 I218 T219 L220 I387 K401F181-V390 HydrophobicContact CD2-CG2 4.25Å; F181-V390 HydrophobicContact CE2-CG1 3.68Å; F181-V390 HydrophobicContact CE2-CG2 4.18Å; F181-V390 HydrophobicContact CZ-CG1 4.02Å; I218-V390 HydrophobicContact CG2-CG1 4.04Å; T219-V390 CarbonylContact O-C 3.59Å; T219-V390 WeakPolarHBondContact O-CA 3.46Å; L220-V390 HydrophobicContact CD1-CG2 4.33Å; L220-V390 HydrophobicContact CG-CG2 4.16Å; I387-V390 HydrophobicContact CG2-CG2 3.6Å; V390-K401 HydrophobicContact CB-CD 4.32Å; V390-K401 HydrophobicContact CG1-CD 4.26Å; V390-K401 PolarHBondContact O-NZ 2.82Å
391D96.6Very high93.9Very high32 Ų3268.5 Ų68.517%0.17134%0.34CS..EExtended strand (participates in β ladder)trans-114.5149.1173.5-55.2-71.5000110.4I218 T219 R389 Y393I218-D391 WeakPolarHBondContact CA-O 3.26Å; I218-D391 WeakPolarHBondContact CG2-O 3.42Å; T219-D391 PolarHBondContact N-O 2.65Å; T219-D391 PolarHBondContact O-N 3.15Å; R389-D391 VanDerWaalsContact CD-OD2 3.31Å; R389-D391 WeakPolarHBondContact CD-OD2 3.23Å; R389-D391 WeakPolarHBondContact CG-OD2 3.03Å; R389-D391 IonicContact CZ-OD1 2.74Å; R389-D391 IonicContact CZ-OD2 3.44Å; R389-D391 VanDerWaalsContact CZ-OD2 3.26Å; R389-D391 IonicContact NE-OD1 3.34Å; R389-D391 PolarHBondContact NE-OD1 3.39Å; R389-D391 IonicContact NE-OD2 3.22Å; R389-D391 PolarHBondContact NE-OD2 2.89Å; R389-D391 IonicContact NH2-OD1 2.92Å; R389-D391 PolarHBondContact NH2-OD1 2.85Å; R389-D391 IonicContact NH2-OD2 3.76Å; R389-D391 PolarHBondContact NH2-OD2 2.95Å; D391-Y393 HydrophobicContact CB-CE1 4.48Å; D391-Y393 HydrophobicContact CB-CE2 3.63Å; D391-Y393 WeakPolarHBondContact CB-OH 3.48Å
392I96.4Very high94Very high32 Ų3268.2 Ų68.216%0.16434%0.341CS..EExtended strand (participates in β ladder)trans-130.7129.4-178.9-59.7178.8000107.1T179 L212 P216 D217 I218 P399T179-I392 HydrophobicContact CG2-CD1 3.97Å; L212-I392 HydrophobicContact CD1-CD1 4.14Å; P216-I392 HydrophobicContact CB-CG2 3.9Å; D217-I392 CarbonylContact O-C 3.54Å; D217-I392 WeakPolarHBondContact O-CA 3.49Å; I218-I392 HydrophobicContact CD1-CD1 4.29Å; I218-I392 HydrophobicContact CD1-CG1 4.27Å; I218-I392 HydrophobicContact CG1-CG1 4.06Å; I218-I392 HydrophobicContact CG2-CG1 4.43Å; I392-P399 HydrophobicContact CD1-CB 4.41Å; I392-P399 HydrophobicContact CD1-CG 3.43Å; I392-P399 VanDerWaalsContact CD1-CG 3.43Å; I392-P399 HydrophobicContact CG1-CG 4.49Å
393Y95.1Very high94.2Very high111 Ų11170.3 Ų70.344%0.43535%0.353SS..EExtended strand (participates in β ladder)trans-125.9170.6-175.9-51.1-85.4000110.2D217 T219 D391 E395D217-Y393 PolarHBondContact N-O 2.94Å; D217-Y393 WeakPolarHBondContact O-CD2 3.44Å; D217-Y393 PolarHBondContact O-N 2.96Å; T219-Y393 HydrophobicContact CG2-CE2 3.93Å; D391-Y393 HydrophobicContact CB-CE1 4.48Å; D391-Y393 HydrophobicContact CB-CE2 3.63Å; D391-Y393 WeakPolarHBondContact CB-OH 3.48Å; Y393-E395 PolarHBondContact O-N 3.02Å
394G89.7Confident94.5Very high72 Ų7275.3 Ų75.374%0.74237%0.374SS*.SBendtrans84.1-20177.900000114.3
395E91.3Very high94.8Very high62 Ų6276.2 Ų76.229%0.2937%0.37SS..  trans-123.8147.7-173.7-62.2-63.9161.200112G214 T215 P216 Y393 Y397G214-E395 WeakPolarHBondContact CA-OE1 3.45Å; T215-E395 PolarHBondContact N-OE1 3.01Å; P216-E395 HydrophobicContact CB-CG 4.1Å; Y393-E395 PolarHBondContact O-N 3.02Å; E395-Y397 HydrophobicContact CB-CD1 3.92Å; E395-Y397 HydrophobicContact CB-CE1 3.38Å; E395-Y397 HydrophobicContact CB-CE2 4.2Å; E395-Y397 HydrophobicContact CG-CE1 3.67Å; E395-Y397 WeakPolarHBondContact CG-OH 3.45Å
396K90.6Very high95.1Very high216 Ų21677 Ų7794%0.93938%0.376SS*.SBendtrans-88.7-16.3-174.5-67.7-177.5-179.5176.80114.3
397Y93.4Very high95.3Very high56 Ų5671.4 Ų71.422%0.2235%0.352CS..SBendtrans-77.8160.8-179.257.5-103.9000111.5N177 L212 S213 E395 P399N177-Y397 HydrophobicContact CB-CD2 3.57Å; N177-Y397 HydrophobicContact CB-CE2 3.68Å; N177-Y397 HydrophobicContact CB-CG 4.25Å; N177-Y397 WeakPolarHBondContact OD1-CE2 3.22Å; N177-Y397 VanDerWaalsContact OD1-CZ 3.28Å; L212-Y397 WeakPolarHBondContact CB-OH 3.28Å; L212-Y397 HydrophobicContact CD2-CE2 4.01Å; S213-Y397 PolarHBondContact N-OH 3.18Å; S213-Y397 PolarHBondContact O-OH 2.7Å; E395-Y397 HydrophobicContact CB-CD1 3.92Å; E395-Y397 HydrophobicContact CB-CE1 3.38Å; E395-Y397 HydrophobicContact CB-CE2 4.2Å; E395-Y397 HydrophobicContact CG-CE1 3.67Å; E395-Y397 WeakPolarHBondContact CG-OH 3.45Å; Y397-P399 HydrophobicContact CD2-CB 4.18Å; Y397-P399 HydrophobicContact CD2-CG 4.28Å; Y397-P399 HydrophobicContact CE2-CB 4.06Å; Y397-P399 HydrophobicContact CE2-CG 4.1Å; Y397-P399 WeakPolarHBondContact O-CD 3.49Å
398K92.5Very high95.4Very high209 Ų20974.5 Ų74.591%0.90937%0.365SS*.  trans-106.797.7175-69-176.7-179178.70109.5
399P95Very high95.4Very high22 Ų2272.2 Ų72.214%0.14335%0.345CS..  trans-76.5151.7-176.531.4-34.8000112.2N177 L212 I392 Y397N177-P399 HydrophobicContact CB-CB 3.95Å; N177-P399 CarbonylContact O-C 3.58Å; N177-P399 WeakPolarHBondContact O-CA 3Å; N177-P399 WeakPolarHBondContact O-CB 3.46Å; L212-P399 HydrophobicContact CD2-CB 3.53Å; L212-P399 HydrophobicContact CD2-CG 4.16Å; I392-P399 HydrophobicContact CD1-CB 4.41Å; I392-P399 HydrophobicContact CD1-CG 3.43Å; I392-P399 VanDerWaalsContact CD1-CG 3.43Å; I392-P399 HydrophobicContact CG1-CG 4.49Å; Y397-P399 HydrophobicContact CD2-CB 4.18Å; Y397-P399 HydrophobicContact CD2-CG 4.28Å; Y397-P399 HydrophobicContact CE2-CB 4.06Å; Y397-P399 HydrophobicContact CE2-CG 4.1Å; Y397-P399 WeakPolarHBondContact O-CD 3.49Å
400F97.3Very high95.4Very high119 Ų11967.8 Ų67.852%0.52234%0.338SS..EExtended strand (participates in β ladder)trans-67.7135.8166.3176.9-96.1000110.1N177 E178 T179 Y180N177-F400 PolarHBondContact O-N 3Å; E178-F400 CarbonylContact C-O 3.59Å; E178-F400 WeakPolarHBondContact CA-O 3.47Å; E178-F400 HydrophobicContact CB-CB 4.07Å; E178-F400 HydrophobicContact CB-CD1 4.36Å; T179-F400 WeakPolarHBondContact CG2-O 3.34Å; T179-F400 PolarHBondContact N-O 2.79Å; Y180-F400 HydrophobicContact CD1-CE1 4.34Å; Y180-F400 HydrophobicContact CE1-CD1 4.11Å; Y180-F400 AromaticContact CE1-CE1 3.62Å; Y180-F400 HydrophobicContact CE1-CE1 3.62Å
401K96.7Very high95.2Very high88 Ų8873.2 Ų73.238%0.38336%0.362SS..EExtended strand (participates in β ladder)trans-120.4103179.2-60.7174.5-175.6173.80109.6T179 V390T179-K401 HydrophobicContact CG2-CB 4.14Å; T179-K401 HydrophobicContact CG2-CG 3.7Å; T179-K401 CarbonylContact O-C 3.59Å; T179-K401 WeakPolarHBondContact O-CA 3.4Å; V390-K401 HydrophobicContact CB-CD 4.32Å; V390-K401 HydrophobicContact CG1-CD 4.26Å; V390-K401 PolarHBondContact O-NZ 2.82Å
402G97.2Very high95.3Very high9 Ų971.9 Ų71.99%0.09336%0.355CS..EExtended strand (participates in β ladder)trans-91.2136.7172.500000111.2T179 Y180 F181T179-G402 PolarHBondContact O-N 2.84Å; Y180-G402 CarbonylContact C-O 3.59Å; Y180-G402 WeakPolarHBondContact CA-O 3.49Å; F181-G402 PolarHBondContact N-O 2.91Å
403V97Very high95.3Very high49 Ų4972.8 Ų72.830%0.29736%0.358SS..EExtended strand (participates in β ladder)trans-129.9130.4169.11780000108.5F181 I387 Y405F181-V403 HydrophobicContact CB-CG2 4.44Å; F181-V403 VanDerWaalsContact O-CA 3.29Å; F181-V403 WeakPolarHBondContact O-CA 3.31Å; I387-V403 HydrophobicContact CB-CG1 4.42Å; I387-V403 HydrophobicContact CD1-CG1 3.94Å; I387-V403 HydrophobicContact CD1-CG2 4.42Å; V403-Y405 HydrophobicContact CG1-CD2 4.42Å; V403-Y405 HydrophobicContact CG1-CE1 4.07Å; V403-Y405 HydrophobicContact CG1-CE2 3.69Å; V403-Y405 VanDerWaalsContact CG1-CZ 3.49Å
404K96.8Very high95.4Very high111 Ų11167.6 Ų67.648%0.48334%0.338SS..EExtended strand (participates in β ladder)trans-125.9160.6171.3-62.3179.5178.61720110.6F181 D182 L183F181-K404 PolarHBondContact O-N 3Å; D182-K404 WeakPolarHBondContact OD1-CB 3.23Å; L183-K404 PolarHBondContact N-O 2.86Å
405Y97.3Very high95.6Very high47 Ų4769.5 Ų69.518%0.18432%0.323CS..EExtended strand (participates in β ladder)trans-134136.3-175.1-66.3-66.5000108.1L183 Q379 I381 I387 V403L183-Y405 HydrophobicContact CB-CD1 3.81Å; L183-Y405 HydrophobicContact CB-CE1 4.05Å; L183-Y405 HydrophobicContact CD2-CD1 3.94Å; L183-Y405 HydrophobicContact CD2-CE1 3.81Å; L183-Y405 HydrophobicContact CG-CD1 4.43Å; L183-Y405 CarbonylContact O-C 3.52Å; L183-Y405 WeakPolarHBondContact O-CA 3.48Å; Q379-Y405 VanDerWaalsContact CA-O 3.28Å; Q379-Y405 WeakPolarHBondContact CA-O 3.4Å; Q379-Y405 PolarHBondContact N-O 2.91Å; I381-Y405 HydrophobicContact CD1-CD1 4.14Å; I381-Y405 HydrophobicContact CG1-CD1 3.42Å; I381-Y405 VanDerWaalsContact CG1-CD1 3.42Å; I381-Y405 HydrophobicContact CG1-CE1 4.32Å; I381-Y405 HydrophobicContact CG1-CG 4.01Å; I387-Y405 PolarHBondContact N-OH 2.78Å; I387-Y405 VanDerWaalsContact N-OH 3.12Å; V403-Y405 HydrophobicContact CG1-CD2 4.42Å; V403-Y405 HydrophobicContact CG1-CE1 4.07Å; V403-Y405 HydrophobicContact CG1-CE2 3.69Å; V403-Y405 VanDerWaalsContact CG1-CZ 3.49Å
406A97.5Very high95.6Very high17 Ų1767.6 Ų67.614%0.1432%0.315CS..EExtended strand (participates in β ladder)trans-150.7141171.400000110.9L183 I184 E185 I377 F380L183-A406 PolarHBondContact O-N 2.89Å; I184-A406 WeakPolarHBondContact CA-O 3.33Å; E185-A406 PolarHBondContact N-O 2.94Å; I377-A406 WeakPolarHBondContact O-CA 3.47Å; F380-A406 CarbonylContact O-C 3.52Å; F380-A406 WeakPolarHBondContact O-CA 3.49Å; F380-A406 PolarHBondContact O-N 3.31Å
407T96.9Very high95.9Very high0 Ų060.2 Ų60.20%028%0.284CS..EExtended strand (participates in β ladder)trans-114.9130.2167.8-58.20000108.8E185 I187 C376 I377 F380 I381 V382E185-T407 CarbonylContact O-C 3.54Å; E185-T407 VanDerWaalsContact O-CA 3.3Å; E185-T407 WeakPolarHBondContact O-CA 3.33Å; I187-T407 HydrophobicContact CG2-CG2 4.43Å; C376-T407 CarbonylContact C-O 3.56Å; C376-T407 WeakPolarHBondContact CA-O 3.32Å; I377-T407 PolarHBondContact N-O 3.22Å; I377-T407 PolarHBondContact O-N 2.92Å; I377-T407 VanDerWaalsContact O-N 3.08Å; F380-T407 WeakPolarHBondContact CD1-OG1 3.32Å; F380-T407 PolarHBondContact O-N 2.62Å; F380-T407 VanDerWaalsContact O-N 3.09Å; F380-T407 PolarHBondContact O-OG1 3.3Å; I381-T407 WeakPolarHBondContact CA-OG1 3.41Å; V382-T407 HydrophobicContact CB-CG2 3.98Å; V382-T407 HydrophobicContact CG1-CG2 3.73Å; V382-T407 PolarHBondContact N-OG1 2.88Å
408K97.8Very high96Very high85 Ų8560.4 Ų60.437%0.3729%0.288SS..EExtended strand (participates in β ladder)trans-122.5148.1178.3-61.8178.6-177.3177.30109.7I184 E185 K186 I187 F375 C376I184-K408 HydrophobicContact CG2-CD 4.46Å; E185-K408 PolarHBondContact O-N 2.96Å; K186-K408 CarbonylContact C-O 3.53Å; K186-K408 VanDerWaalsContact CA-O 3.28Å; K186-K408 WeakPolarHBondContact CA-O 3.31Å; I187-K408 PolarHBondContact N-O 2.7Å; F375-K408 WeakPolarHBondContact O-CA 3.19Å; C376-K408 HydrophobicContact CB-CG 4.35Å
409A97Very high96.2Very high12 Ų1252.2 Ų52.210%0.09925%0.253CS..EExtended strand (participates in β ladder)trans-67.6142.4165.200000110.3V373 F375V373-A409 VanDerWaalsContact O-CB 3.23Å; V373-A409 WeakPolarHBondContact O-CB 3.27Å; F375-A409 HydrophobicContact CD1-CB 3.75Å; F375-A409 HydrophobicContact CD2-CB 4.48Å; F375-A409 HydrophobicContact CE1-CB 3.71Å; F375-A409 HydrophobicContact CE2-CB 4.45Å; F375-A409 HydrophobicContact CG-CB 4.15Å; F375-A409 HydrophobicContact CZ-CB 4.09Å; F375-A409 PolarHBondContact O-N 2.69Å
410S94.7Very high96.3Very high59 Ų5953.9 Ų53.941%0.41326%0.26SS..EExtended strand (participates in β ladder)trans-111.4-107.7162.2170.40000107I187 D188 Y412I187-S410 PolarHBondContact O-N 3.31Å; D188-S410 WeakPolarHBondContact OD1-CB 3.4Å; D188-S410 PolarHBondContact OD1-OG 3.17Å; S410-Y412 PolarHBondContact O-N 3.16Å; S410-Y412 VanDerWaalsContact O-N 3.17Å
411Q93.4Very high96.2Very high130 Ų13049.9 Ų49.961%0.60724%0.243SC*.EExtended strand (participates in β ladder)trans-84.882170.9-64.8-174.8-17.600110D188 A189D188-Q411 CarbonylContact C-O 3.48Å; D188-Q411 WeakPolarHBondContact CA-O 3.47Å; D188-Q411 WeakPolarHBondContact OD1-CA 3.43Å; D188-Q411 WeakPolarHBondContact OD1-CB 3.46Å; D188-Q411 PolarHBondContact OD1-N 2.67Å; A189-Q411 PolarHBondContact N-O 2.84Å
412Y96.9Very high96.2Very high4 Ų447.3 Ų47.32%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-101.1102.5172.7-163.4-60.4000109.5I187 A189 L272 I274 L372 V373 F375 S410 V414I187-Y412 HydrophobicContact CG2-CD2 4.21Å; A189-Y412 HydrophobicContact CB-CD2 3.97Å; A189-Y412 HydrophobicContact CB-CE2 4.04Å; A189-Y412 HydrophobicContact CB-CG 4.37Å; A189-Y412 WeakPolarHBondContact O-CA 3.5Å; L272-Y412 HydrophobicContact CB-CE2 4.35Å; L272-Y412 HydrophobicContact CD1-CE2 4.26Å; L272-Y412 VanDerWaalsContact CD1-OH 3.27Å; L272-Y412 WeakPolarHBondContact CD1-OH 3.18Å; L272-Y412 HydrophobicContact CD2-CE2 4.34Å; I274-Y412 PolarHBondContact O-OH 3.33Å; L372-Y412 WeakPolarHBondContact CA-O 3.43Å; V373-Y412 HydrophobicContact CB-CD1 3.57Å; V373-Y412 HydrophobicContact CB-CE1 4.26Å; V373-Y412 HydrophobicContact CB-CG 4.01Å; V373-Y412 HydrophobicContact CG1-CD1 4.4Å; V373-Y412 HydrophobicContact CG2-CD1 3.51Å; V373-Y412 HydrophobicContact CG2-CE1 3.94Å; V373-Y412 HydrophobicContact CG2-CG 4.43Å; V373-Y412 PolarHBondContact N-O 2.97Å; V373-Y412 WeakPolarHBondContact O-CB 3.46Å; F375-Y412 AromaticContact CE1-CD2 3.58Å; F375-Y412 HydrophobicContact CE1-CD2 3.58Å; F375-Y412 AromaticContact CE1-CE2 3.92Å; F375-Y412 HydrophobicContact CE1-CE2 3.92Å; F375-Y412 HydrophobicContact CE1-CG 4.12Å; F375-Y412 AromaticContact CZ-CD2 3.93Å; F375-Y412 HydrophobicContact CZ-CD2 3.93Å; F375-Y412 HydrophobicContact CZ-CE2 4.15Å; S410-Y412 PolarHBondContact O-N 3.16Å; S410-Y412 VanDerWaalsContact O-N 3.17Å; Y412-V414 HydrophobicContact CD1-CG2 4.3Å; Y412-V414 HydrophobicContact CE1-CG2 3.87Å
413E96.7Very high96.1Very high51 Ų5150.1 Ų50.124%0.23824%0.244CC..EExtended strand (participates in β ladder)trans-113.3134.5-174.6-52.2-164154.900112.1A189 I190 V191 V370 L372A189-E413 PolarHBondContact O-N 3.3Å; I190-E413 WeakPolarHBondContact CA-O 3.49Å; V191-E413 PolarHBondContact N-O 3.46Å; V370-E413 HydrophobicContact CG1-CB 4.05Å; L372-E413 HydrophobicContact CD2-CB 4.4Å; L372-E413 HydrophobicContact CD2-CG 3.69Å
414V97.3Very high96Very high2 Ų250.2 Ų50.21%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-121.4111.6170.6-175.60000108.6V191 L276 I371 V373 Y412V191-V414 HydrophobicContact CB-CB 4.5Å; V191-V414 HydrophobicContact CB-CG1 4.32Å; V191-V414 HydrophobicContact CB-CG2 4.15Å; V191-V414 HydrophobicContact CG2-CG2 4.33Å; L276-V414 HydrophobicContact CB-CG1 4.3Å; L276-V414 HydrophobicContact CB-CG2 4.15Å; L276-V414 HydrophobicContact CD1-CB 4.16Å; L276-V414 HydrophobicContact CD1-CG2 3.78Å; L276-V414 HydrophobicContact CG-CG2 4.04Å; I371-V414 HydrophobicContact CB-CB 4.33Å; I371-V414 PolarHBondContact N-O 3.24Å; I371-V414 PolarHBondContact O-N 3.1Å; V373-V414 HydrophobicContact CG2-CG2 4.13Å; Y412-V414 HydrophobicContact CD1-CG2 4.3Å; Y412-V414 HydrophobicContact CE1-CG2 3.87Å
415R95Very high96Very high112 Ų11245.1 Ų45.142%0.42322%0.22SC..EExtended strand (participates in β ladder)trans-78.9133.3177.2-60.4178.1177.6174.3-0.7108.6V191 D192 R193 V370V191-R415 PolarHBondContact O-N 2.9Å; D192-R415 CarbonylContact C-O 3.46Å; R193-R415 WeakPolarHBondContact CA-O 3.49Å; R193-R415 PolarHBondContact N-O 2.79Å; R193-R415 VanDerWaalsContact N-O 3.13Å; V370-R415 HydrophobicContact CG2-CG 4.39Å
416T91.1Very high95.8Very high22 Ų2244.9 Ų44.914%0.13522%0.223CC..  trans-103.10-172.767.70000116.2H278 V280 N368 P369 I371H278-T416 VanDerWaalsContact CE1-CA 3.49Å; H278-T416 WeakPolarHBondContact CE1-CA 3.26Å; V280-T416 VanDerWaalsContact CG2-CB 3.49Å; V280-T416 HydrophobicContact CG2-CG2 3.84Å; N368-T416 WeakPolarHBondContact CB-O 3.36Å; N368-T416 PolarHBondContact ND2-O 3.07Å; N368-T416 PolarHBondContact ND2-OXT 2.86Å; P369-T416 PolarHBondContact O-OG1 2.77Å; I371-T416 HydrophobicContact CD1-CG2 3.62Å; I371-T416 HydrophobicContact CG1-CG2 3.73Å

Retrieved 416 of 416 residues in 188.5 ms (Link to these results)

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