A0A087YKU1_POEFO Loading...

Myosin XIX

AlphaFold DB , UniProt , Accession A0A087YKU1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 852 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
1M83.7Confident78.8Confident55 Ų5580.3 Ų80.327%0.27138%0.382SS..  0-62.80-62.8179.917700111.3E3 Y4 H5 F18 K58 Y59M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 3.38Å; M1-Y4 WeakPolarHBondContact O-CB 3.5Å; M1-Y4 PolarHBondContact O-N 3.24Å; M1-Y4 VanDerWaalsContact O-N 3.08Å; M1-H5 PolarHBondContact O-N 3.04Å; M1-F18 HydrophobicContact CE-CE1 3.76Å; M1-F18 HydrophobicContact CE-CE2 4.17Å; M1-F18 HydrophobicContact CE-CZ 3.35Å; M1-F18 HydrophobicContact CG-CD2 4.11Å; M1-F18 HydrophobicContact CG-CE1 4.27Å; M1-F18 HydrophobicContact CG-CE2 3.64Å; M1-F18 HydrophobicContact CG-CZ 3.74Å; M1-F18 HydrophobicContact SD-CZ 4.38Å; M1-K58 HydrophobicContact CE-CB 4.04Å; M1-K58 HydrophobicContact CE-CD 3.99Å; M1-K58 HydrophobicContact CE-CG 3.81Å; M1-K58 HydrophobicContact SD-CG 4.35Å; M1-Y59 HydrophobicContact CB-CD2 4Å; M1-Y59 HydrophobicContact CB-CE2 4.23Å; M1-Y59 HydrophobicContact CG-CD2 3.92Å
2K84.8Confident78.3Confident130 Ų13086.2 Ų86.257%0.56541%0.409SS*.Hα-helixtrans-55.1-39.3177.9-69.6-174.3179.3-179.30114Y4 H5 Y6K2-Y4 PolarHBondContact O-N 2.98Å; K2-H5 PolarHBondContact O-N 3.25Å; K2-H5 VanDerWaalsContact O-N 3.15Å; K2-Y6 HydrophobicContact CB-CD2 4.2Å; K2-Y6 HydrophobicContact CB-CE2 3.91Å; K2-Y6 HydrophobicContact CG-CE2 4.44Å; K2-Y6 WeakPolarHBondContact O-CD2 3.42Å; K2-Y6 PolarHBondContact O-N 3.28Å
3E86.7Confident78.4Confident143 Ų14386 Ų8667%0.66841%0.406SS*.Hα-helixtrans-56.9-46.5174.6-67.5173178.800112.6M1 H5 Y6 A7M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 3.38Å; E3-H5 VanDerWaalsContact C-N 3.3Å; E3-H5 PolarHBondContact O-N 3.25Å; E3-Y6 PolarHBondContact O-N 3.32Å; E3-A7 WeakPolarHBondContact O-CB 3.37Å; E3-A7 PolarHBondContact O-N 2.89Å
4Y85.8Confident78.9Confident30 Ų3092.7 Ų92.712%0.11843%0.432CS..Hα-helixtrans-64.1-34.3176.5-71.4-88.7000112.5M1 K2 F13 H16 F18 I19M1-Y4 WeakPolarHBondContact O-CB 3.5Å; M1-Y4 PolarHBondContact O-N 3.24Å; M1-Y4 VanDerWaalsContact O-N 3.08Å; K2-Y4 PolarHBondContact O-N 2.98Å; Y4-F13 HydrophobicContact CD1-CB 4.44Å; Y4-F13 HydrophobicContact CE1-CB 3.76Å; Y4-F13 HydrophobicContact CE1-CG 4.19Å; Y4-H16 HydrophobicContact CE1-CB 3.83Å; Y4-H16 AromaticContact CZ-CG 3.96Å; Y4-H16 WeakPolarHBondContact OH-CB 3.4Å; Y4-F18 HydrophobicContact CD1-CB 4.15Å; Y4-F18 HydrophobicContact CD2-CB 4.05Å; Y4-F18 AromaticContact CD2-CD2 3.83Å; Y4-F18 HydrophobicContact CD2-CD2 3.83Å; Y4-F18 HydrophobicContact CD2-CG 4.44Å; Y4-F18 HydrophobicContact CE2-CB 4.49Å; Y4-F18 AromaticContact CE2-CD2 3.91Å; Y4-F18 HydrophobicContact CE2-CD2 3.91Å; Y4-F18 HydrophobicContact CG-CB 3.86Å; Y4-F18 HydrophobicContact CG-CD2 4.5Å; Y4-I19 HydrophobicContact CD1-CG1 3.9Å; Y4-I19 HydrophobicContact CE1-CD1 4.34Å; Y4-I19 HydrophobicContact CE1-CG1 3.83Å
5H86.7Confident79.5Confident49 Ų4995.3 Ų95.323%0.22746%0.46CS..Hα-helixtrans-72.1-44.3178.9-177.154.4000112.6M1 K2 E3 A7 E22 Y25 R26 V63M1-H5 PolarHBondContact O-N 3.04Å; K2-H5 PolarHBondContact O-N 3.25Å; K2-H5 VanDerWaalsContact O-N 3.15Å; E3-H5 VanDerWaalsContact C-N 3.3Å; E3-H5 PolarHBondContact O-N 3.25Å; H5-A7 VanDerWaalsContact C-N 3.29Å; H5-A7 PolarHBondContact O-N 2.96Å; H5-E22 IonicContact CE1-OE1 2.85Å; H5-E22 IonicContact CE1-OE2 3.56Å; H5-E22 IonicContact CG-OE2 3.23Å; H5-E22 IonicContact ND1-OE1 3.52Å; H5-E22 PolarHBondContact ND1-OE1 3.37Å; H5-E22 IonicContact ND1-OE2 3.94Å; H5-E22 PolarHBondContact ND1-OE2 2.93Å; H5-Y25 AromaticContact CE1-CE1 3.73Å; H5-R26 PolarHBondContact O-NH2 3.35Å; H5-V63 HydrophobicContact CB-CG1 4.19Å; H5-V63 HydrophobicContact CB-CG2 3.95Å; H5-V63 VanDerWaalsContact CE1-CG1 3.5Å; H5-V63 WeakPolarHBondContact CE1-CG1 3.46Å; H5-V63 WeakPolarHBondContact ND1-CG1 3.27Å
6Y82.1Confident80.3Confident169 Ų16994.2 Ų94.266%0.66345%0.454SS*.Hα-helixtrans-77.5-13.8179.5-62.8-52.7000113.9K2 E3 T8K2-Y6 HydrophobicContact CB-CD2 4.2Å; K2-Y6 HydrophobicContact CB-CE2 3.91Å; K2-Y6 HydrophobicContact CG-CE2 4.44Å; K2-Y6 WeakPolarHBondContact O-CD2 3.42Å; K2-Y6 PolarHBondContact O-N 3.28Å; E3-Y6 PolarHBondContact O-N 3.32Å; Y6-T8 PolarHBondContact O-N 2.96Å
7A77.4Confident81.1Confident13 Ų1390.5 Ų90.511%0.10744%0.437CS..  trans-61.4123.7177.700000111.7E3 H5 Q9 P10 F13 R26E3-A7 WeakPolarHBondContact O-CB 3.37Å; E3-A7 PolarHBondContact O-N 2.89Å; H5-A7 VanDerWaalsContact C-N 3.29Å; H5-A7 PolarHBondContact O-N 2.96Å; A7-Q9 VanDerWaalsContact C-N 3.28Å; A7-Q9 PolarHBondContact O-N 3.28Å; A7-P10 HydrophobicContact CB-CB 4.32Å; A7-F13 HydrophobicContact CB-CD2 4.18Å; A7-F13 HydrophobicContact CB-CE2 3.46Å; A7-F13 VanDerWaalsContact CB-CE2 3.46Å; A7-F13 HydrophobicContact CB-CZ 4.36Å; A7-R26 PolarHBondContact O-NH1 3.48Å; A7-R26 PolarHBondContact O-NH2 2.88Å
8T68.9Low81.7Confident128 Ų12886.7 Ų86.779%0.78542%0.418SS*.SBendtrans-62-39.8172.243.70000111.5Y6 R26Y6-T8 PolarHBondContact O-N 2.96Å; T8-R26 PolarHBondContact O-NH1 3.48Å; T8-R26 VanDerWaalsContact O-NH1 3.15Å
9Q69.9Low82.2Confident53 Ų5383.3 Ų83.325%0.24840%0.402CS..  trans-124.986.8177-68.9-177.7-9.800110.2A7 Q11 E12A7-Q9 VanDerWaalsContact C-N 3.28Å; A7-Q9 PolarHBondContact O-N 3.28Å; Q9-Q11 PolarHBondContact O-N 3.48Å; Q9-E12 HydrophobicContact CB-CG 3.98Å; Q9-E12 PolarHBondContact O-N 2.81Å; Q9-E12 VanDerWaalsContact O-N 3.15Å; Q9-E12 PolarHBondContact OE1-OE1 2.95Å
10P69.3Low82.6Confident10 Ų1081.1 Ų81.17%0.06539%0.394CS..G310 helixtrans-62.4-16.7-179.623.2-32.2000113.1A7 E12 F13 I19 E22A7-P10 HydrophobicContact CB-CB 4.32Å; P10-E12 VanDerWaalsContact C-N 3.29Å; P10-E12 PolarHBondContact O-N 3.46Å; P10-F13 PolarHBondContact O-N 3.41Å; P10-I19 HydrophobicContact CB-CG2 4.49Å; P10-I19 WeakPolarHBondContact O-CD1 3.3Å; P10-E22 HydrophobicContact CG-CG 4.33Å
11Q71.8Confident83.1Confident103 Ų10377.2 Ų77.248%0.48138%0.375SS..G310 helixtrans-70.3-19.7177.3-65.9160.2-7.300113.6Q9 F13Q9-Q11 PolarHBondContact O-N 3.48Å; Q11-F13 VanDerWaalsContact C-N 3.25Å; Q11-F13 PolarHBondContact O-N 2.99Å
12E72.5Confident83.4Confident151 Ų15174.7 Ų74.771%0.70636%0.363SS*.G310 helixtrans-73.6-19.6174.9-65.3-17514600112.3Q9 P10Q9-E12 HydrophobicContact CB-CG 3.98Å; Q9-E12 PolarHBondContact O-N 2.81Å; Q9-E12 VanDerWaalsContact O-N 3.15Å; Q9-E12 PolarHBondContact OE1-OE1 2.95Å; P10-E12 VanDerWaalsContact C-N 3.29Å; P10-E12 PolarHBondContact O-N 3.46Å
13F80.1Confident83.5Confident84 Ų8472.6 Ų72.637%0.36836%0.355SS..SBendtrans-75160.5174.2-69.2-83.6000111.3Y4 A7 P10 Q11Y4-F13 HydrophobicContact CD1-CB 4.44Å; Y4-F13 HydrophobicContact CE1-CB 3.76Å; Y4-F13 HydrophobicContact CE1-CG 4.19Å; A7-F13 HydrophobicContact CB-CD2 4.18Å; A7-F13 HydrophobicContact CB-CE2 3.46Å; A7-F13 VanDerWaalsContact CB-CE2 3.46Å; A7-F13 HydrophobicContact CB-CZ 4.36Å; P10-F13 PolarHBondContact O-N 3.41Å; Q11-F13 VanDerWaalsContact C-N 3.25Å; Q11-F13 PolarHBondContact O-N 2.99Å
14K84.9Confident83.6Confident180 Ų18065.8 Ų65.878%0.78332%0.323SS*.PPolyproline II helixtrans-54.2140.3171-67-175.1-179.8-1790110.2H16K14-H16 PolarHBondContact O-N 3.26Å; K14-H16 VanDerWaalsContact O-N 3.17Å
15P88.5Confident83.8Confident131 Ų13165 Ų6585%0.85132%0.32SS*.PPolyproline II helixtrans-49.4123.1179.8-29.134.8000111.7
16H91.7Very high83.6Confident78 Ų7866 Ų6636%0.36132%0.322SS..  trans-148148.7-178.3-162-75.3000109.8Y4 K14 F18 I19Y4-H16 HydrophobicContact CE1-CB 3.83Å; Y4-H16 AromaticContact CZ-CG 3.96Å; Y4-H16 WeakPolarHBondContact OH-CB 3.4Å; K14-H16 PolarHBondContact O-N 3.26Å; K14-H16 VanDerWaalsContact O-N 3.17Å; H16-F18 AromaticContact CE1-CD1 3.96Å; H16-F18 AromaticContact CE1-CD2 3.18Å; H16-F18 WeakPolarHBondContact CE1-CD2 3.49Å; H16-F18 AromaticContact CE1-CE1 3.93Å; H16-F18 AromaticContact CE1-CE2 3.14Å; H16-F18 WeakPolarHBondContact CE1-CE2 3.41Å; H16-F18 AromaticContact CE1-CG 3.6Å; H16-F18 AromaticContact CE1-CZ 3.52Å; H16-F18 AromaticContact ND1-CD1 3.87Å; H16-F18 AromaticContact ND1-CD2 3.17Å; H16-F18 WeakPolarHBondContact ND1-CD2 3.38Å; H16-F18 AromaticContact ND1-CE2 3.68Å; H16-F18 AromaticContact ND1-CG 3.26Å; H16-F18 VanDerWaalsContact ND1-CG 3.26Å; H16-F18 WeakPolarHBondContact ND1-CG 3.39Å; H16-F18 PolarHBondContact ND1-N 3.49Å; H16-F18 VanDerWaalsContact ND1-N 3.18Å; H16-F18 AromaticContact NE2-CE2 3.88Å; H16-F18 PolarHBondContact O-N 3.44Å; H16-I19 WeakPolarHBondContact O-CB 3.49Å; H16-I19 WeakPolarHBondContact O-CG1 3.39Å; H16-I19 PolarHBondContact O-N 3.12Å
17I93.5Very high83.4Confident31 Ų3160.3 Ų60.316%0.15930%0.303CS..Hα-helixtrans-57.4-20.8176.9-170.659.5000113.6I19 V20 A21 T52 C55 L56 T521I17-I19 VanDerWaalsContact C-N 3.28Å; I17-I19 PolarHBondContact O-N 2.88Å; I17-V20 HydrophobicContact CD1-CB 4.42Å; I17-V20 PolarHBondContact O-N 3.22Å; I17-A21 PolarHBondContact O-N 2.94Å; I17-T52 HydrophobicContact CD1-CG2 3.92Å; I17-T52 HydrophobicContact CG1-CG2 3.88Å; I17-C55 HydrophobicContact CG2-CB 4.41Å; I17-L56 HydrophobicContact CD1-CD2 4.02Å; I17-L56 HydrophobicContact CD1-CG 4.42Å; I17-L56 HydrophobicContact CG1-CD2 3.62Å; I17-L56 HydrophobicContact CG1-CG 3.96Å; I17-T521 HydrophobicContact CD1-CG2 3.75Å; I17-T521 WeakPolarHBondContact CD1-OG1 3.35Å
18F93.2Very high83.4Confident22 Ų2259.8 Ų59.810%0.09630%0.298CS..Hα-helixtrans-74.6-20.6179-62-27.2000112.3M1 Y4 H16 E22 C55 Y59M1-F18 HydrophobicContact CE-CE1 3.76Å; M1-F18 HydrophobicContact CE-CE2 4.17Å; M1-F18 HydrophobicContact CE-CZ 3.35Å; M1-F18 HydrophobicContact CG-CD2 4.11Å; M1-F18 HydrophobicContact CG-CE1 4.27Å; M1-F18 HydrophobicContact CG-CE2 3.64Å; M1-F18 HydrophobicContact CG-CZ 3.74Å; M1-F18 HydrophobicContact SD-CZ 4.38Å; Y4-F18 HydrophobicContact CD1-CB 4.15Å; Y4-F18 HydrophobicContact CD2-CB 4.05Å; Y4-F18 AromaticContact CD2-CD2 3.83Å; Y4-F18 HydrophobicContact CD2-CD2 3.83Å; Y4-F18 HydrophobicContact CD2-CG 4.44Å; Y4-F18 HydrophobicContact CE2-CB 4.49Å; Y4-F18 AromaticContact CE2-CD2 3.91Å; Y4-F18 HydrophobicContact CE2-CD2 3.91Å; Y4-F18 HydrophobicContact CG-CB 3.86Å; Y4-F18 HydrophobicContact CG-CD2 4.5Å; H16-F18 AromaticContact CE1-CD1 3.96Å; H16-F18 AromaticContact CE1-CD2 3.18Å; H16-F18 WeakPolarHBondContact CE1-CD2 3.49Å; H16-F18 AromaticContact CE1-CE1 3.93Å; H16-F18 AromaticContact CE1-CE2 3.14Å; H16-F18 WeakPolarHBondContact CE1-CE2 3.41Å; H16-F18 AromaticContact CE1-CG 3.6Å; H16-F18 AromaticContact CE1-CZ 3.52Å; H16-F18 AromaticContact ND1-CD1 3.87Å; H16-F18 AromaticContact ND1-CD2 3.17Å; H16-F18 WeakPolarHBondContact ND1-CD2 3.38Å; H16-F18 AromaticContact ND1-CE2 3.68Å; H16-F18 AromaticContact ND1-CG 3.26Å; H16-F18 VanDerWaalsContact ND1-CG 3.26Å; H16-F18 WeakPolarHBondContact ND1-CG 3.39Å; H16-F18 PolarHBondContact ND1-N 3.49Å; H16-F18 VanDerWaalsContact ND1-N 3.18Å; H16-F18 AromaticContact NE2-CE2 3.88Å; H16-F18 PolarHBondContact O-N 3.44Å; F18-E22 VanDerWaalsContact O-CB 3.26Å; F18-E22 WeakPolarHBondContact O-CB 3.34Å; F18-E22 PolarHBondContact O-N 3.49Å; F18-C55 HydrophobicContact CE1-CB 4.33Å; F18-Y59 HydrophobicContact CB-CD2 3.81Å; F18-Y59 HydrophobicContact CB-CE2 3.7Å; F18-Y59 AromaticContact CD1-CD2 3.37Å; F18-Y59 HydrophobicContact CD1-CD2 3.37Å; F18-Y59 HydrophobicContact CD1-CE2 4.19Å; F18-Y59 AromaticContact CD1-CG 3.89Å; F18-Y59 HydrophobicContact CD1-CG 3.89Å; F18-Y59 HydrophobicContact CD2-CD2 4.29Å; F18-Y59 HydrophobicContact CE1-CD2 4.03Å; F18-Y59 HydrophobicContact CE1-CG 4.44Å; F18-Y59 AromaticContact CG-CD2 3.55Å; F18-Y59 HydrophobicContact CG-CD2 3.55Å; F18-Y59 AromaticContact CG-CE2 3.93Å; F18-Y59 HydrophobicContact CG-CE2 3.93Å; F18-Y59 HydrophobicContact CG-CG 4.46Å
19I90.6Very high83.3Confident23 Ų2359.5 Ų59.512%0.11829%0.288CS..Hα-helixtrans-66.6-47.8172.2-59.2176.5000109Y4 P10 H16 I17 A21 E22 E23Y4-I19 HydrophobicContact CD1-CG1 3.9Å; Y4-I19 HydrophobicContact CE1-CD1 4.34Å; Y4-I19 HydrophobicContact CE1-CG1 3.83Å; P10-I19 HydrophobicContact CB-CG2 4.49Å; P10-I19 WeakPolarHBondContact O-CD1 3.3Å; H16-I19 WeakPolarHBondContact O-CB 3.49Å; H16-I19 WeakPolarHBondContact O-CG1 3.39Å; H16-I19 PolarHBondContact O-N 3.12Å; I17-I19 VanDerWaalsContact C-N 3.28Å; I17-I19 PolarHBondContact O-N 2.88Å; I19-A21 VanDerWaalsContact C-N 3.31Å; I19-A21 PolarHBondContact O-N 3Å; I19-E22 PolarHBondContact O-N 2.84Å; I19-E23 WeakPolarHBondContact O-CB 3.47Å; I19-E23 PolarHBondContact O-N 3.26Å
20V90.8Very high82.6Confident39 Ų3960.1 Ų60.124%0.23631%0.308CS..Hα-helixtrans-62.1-41.7175.9-174.20000110.6I17 E23 A24 L39 H519I17-V20 HydrophobicContact CD1-CB 4.42Å; I17-V20 PolarHBondContact O-N 3.22Å; V20-E23 PolarHBondContact O-N 3.27Å; V20-A24 WeakPolarHBondContact O-CB 3.22Å; V20-A24 PolarHBondContact O-N 3.46Å; V20-L39 HydrophobicContact CG1-CD2 3.75Å; V20-H519 HydrophobicContact CG1-CB 3.97Å
21A92.8Very high81.8Confident0 Ų064.5 Ų64.50%033%0.328CS..Hα-helixtrans-62.5-45.6177.900000112.5I17 I19 Y25 L56 Y59 Y60I17-A21 PolarHBondContact O-N 2.94Å; I19-A21 VanDerWaalsContact C-N 3.31Å; I19-A21 PolarHBondContact O-N 3Å; A21-Y25 WeakPolarHBondContact O-CB 3.31Å; A21-Y25 PolarHBondContact O-N 2.91Å; A21-L56 HydrophobicContact CB-CD2 3.7Å; A21-Y59 HydrophobicContact CB-CD1 3.42Å; A21-Y59 VanDerWaalsContact CB-CD1 3.42Å; A21-Y59 HydrophobicContact CB-CE1 3.74Å; A21-Y59 HydrophobicContact CB-CG 3.9Å; A21-Y60 VanDerWaalsContact CA-OH 3.24Å; A21-Y60 WeakPolarHBondContact CA-OH 3.39Å; A21-Y60 HydrophobicContact CB-CE1 4.48Å; A21-Y60 HydrophobicContact CB-CE2 4.46Å; A21-Y60 WeakPolarHBondContact O-CE1 3.37Å; A21-Y60 PolarHBondContact O-OH 3.49Å
22E90.3Very high80.6Confident2 Ų266.6 Ų66.61%0.00934%0.342CS..Hα-helixtrans-67.6-37.9177.7-17859.3-173.600111.9H5 P10 F18 I19 Y25 R26 Y59H5-E22 IonicContact CE1-OE1 2.85Å; H5-E22 IonicContact CE1-OE2 3.56Å; H5-E22 IonicContact CG-OE2 3.23Å; H5-E22 IonicContact ND1-OE1 3.52Å; H5-E22 PolarHBondContact ND1-OE1 3.37Å; H5-E22 IonicContact ND1-OE2 3.94Å; H5-E22 PolarHBondContact ND1-OE2 2.93Å; P10-E22 HydrophobicContact CG-CG 4.33Å; F18-E22 VanDerWaalsContact O-CB 3.26Å; F18-E22 WeakPolarHBondContact O-CB 3.34Å; F18-E22 PolarHBondContact O-N 3.49Å; I19-E22 PolarHBondContact O-N 2.84Å; E22-Y25 WeakPolarHBondContact O-CB 3.34Å; E22-Y25 PolarHBondContact O-N 2.87Å; E22-R26 HydrophobicContact CG-CG 4.37Å; E22-R26 WeakPolarHBondContact O-CB 3.44Å; E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.27Å; E22-R26 PolarHBondContact O-N 3.46Å; E22-R26 IonicContact OE1-CZ 2.67Å; E22-R26 IonicContact OE1-NE 3.74Å; E22-R26 PolarHBondContact OE1-NE 2.85Å; E22-R26 IonicContact OE1-NH2 3.92Å; E22-R26 PolarHBondContact OE1-NH2 3.49Å; E22-Y59 HydrophobicContact CB-CE1 4.47Å; E22-Y59 WeakPolarHBondContact CB-OH 3.38Å; E22-Y59 PolarHBondContact OE2-OH 3.43Å
23E86.1Confident79.8Confident85 Ų8566.9 Ų66.940%0.39734%0.343SS..Hα-helixtrans-62.7-48.5175.6-177.2173.2-176.900111I19 V20 Y25 R26 N27I19-E23 WeakPolarHBondContact O-CB 3.47Å; I19-E23 PolarHBondContact O-N 3.26Å; V20-E23 PolarHBondContact O-N 3.27Å; E23-Y25 VanDerWaalsContact C-N 3.31Å; E23-Y25 PolarHBondContact O-N 2.91Å; E23-R26 PolarHBondContact O-N 2.88Å; E23-N27 WeakPolarHBondContact O-CB 3.31Å; E23-N27 PolarHBondContact O-N 2.98Å; E23-N27 PolarHBondContact O-ND2 3.49Å
24A89.3Confident79.1Confident0 Ų065.4 Ų65.40%034%0.342CS..Hα-helixtrans-58.2-44172.900000111.1V20 N27 V28 Q37 L39 Y60V20-A24 WeakPolarHBondContact O-CB 3.22Å; V20-A24 PolarHBondContact O-N 3.46Å; A24-N27 PolarHBondContact O-N 3.42Å; A24-V28 WeakPolarHBondContact O-CG2 3.23Å; A24-V28 PolarHBondContact O-N 2.92Å; A24-Q37 HydrophobicContact CB-CB 4.32Å; A24-Q37 HydrophobicContact CB-CG 4.42Å; A24-Q37 WeakPolarHBondContact O-CG 3.38Å; A24-L39 HydrophobicContact CB-CD2 4.48Å; A24-Y60 WeakPolarHBondContact CB-OH 3.42Å
25Y88.7Confident78.9Confident13 Ų1359.4 Ų59.45%0.05132%0.32CS..Hα-helixtrans-60.9-48.3177.8-167.6-117.3000112.8H5 A21 E22 E23 N27 V28 Q29 Y60 V63 A64 Q119 I319H5-Y25 AromaticContact CE1-CE1 3.73Å; A21-Y25 WeakPolarHBondContact O-CB 3.31Å; A21-Y25 PolarHBondContact O-N 2.91Å; E22-Y25 WeakPolarHBondContact O-CB 3.34Å; E22-Y25 PolarHBondContact O-N 2.87Å; E23-Y25 VanDerWaalsContact C-N 3.31Å; E23-Y25 PolarHBondContact O-N 2.91Å; Y25-N27 VanDerWaalsContact C-N 3.29Å; Y25-N27 PolarHBondContact O-N 2.83Å; Y25-V28 PolarHBondContact O-N 3.35Å; Y25-Q29 PolarHBondContact O-N 3.06Å; Y25-Y60 HydrophobicContact CD2-CD1 4.26Å; Y25-Y60 HydrophobicContact CD2-CE1 4.28Å; Y25-V63 HydrophobicContact CD1-CG1 4.03Å; Y25-V63 HydrophobicContact CE1-CG1 3.78Å; Y25-A64 HydrophobicContact CE2-CB 3.91Å; Y25-Q119 PolarHBondContact OH-O 2.79Å; Y25-I319 HydrophobicContact CD2-CD1 4.23Å
26R83.1Confident79Confident71 Ų7155 Ų5527%0.26829%0.289SS..Hα-helixtrans-63.5-34.1177.7-74.6178.8-174.4-174.96.2112.6H5 A7 T8 E22 E23 V28 Q29 G30H5-R26 PolarHBondContact O-NH2 3.35Å; A7-R26 PolarHBondContact O-NH1 3.48Å; A7-R26 PolarHBondContact O-NH2 2.88Å; T8-R26 PolarHBondContact O-NH1 3.48Å; T8-R26 VanDerWaalsContact O-NH1 3.15Å; E22-R26 HydrophobicContact CG-CG 4.37Å; E22-R26 WeakPolarHBondContact O-CB 3.44Å; E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.27Å; E22-R26 PolarHBondContact O-N 3.46Å; E22-R26 IonicContact OE1-CZ 2.67Å; E22-R26 IonicContact OE1-NE 3.74Å; E22-R26 PolarHBondContact OE1-NE 2.85Å; E22-R26 IonicContact OE1-NH2 3.92Å; E22-R26 PolarHBondContact OE1-NH2 3.49Å; E23-R26 PolarHBondContact O-N 2.88Å; R26-V28 VanDerWaalsContact C-N 3.27Å; R26-V28 PolarHBondContact O-N 3.3Å; R26-Q29 CarbonylContact O-C 3.52Å; R26-Q29 PolarHBondContact O-N 2.93Å; R26-Q29 VanDerWaalsContact O-N 3.09Å; R26-G30 WeakPolarHBondContact O-CA 3.34Å; R26-G30 PolarHBondContact O-N 3.29Å
27N78.1Confident79Confident50 Ų5051.3 Ų51.327%0.26727%0.272SS..Hα-helixtrans-65.8-31.6177.5-74-17.3000112.1E23 A24 Y25E23-N27 WeakPolarHBondContact O-CB 3.31Å; E23-N27 PolarHBondContact O-N 2.98Å; E23-N27 PolarHBondContact O-ND2 3.49Å; A24-N27 PolarHBondContact O-N 3.42Å; Y25-N27 VanDerWaalsContact C-N 3.29Å; Y25-N27 PolarHBondContact O-N 2.83Å
28V78.1Confident79.1Confident1 Ų149.8 Ų49.81%0.00627%0.265CS..Hα-helixtrans-69.4-37.5170.2-165.50000111.2A24 Y25 R26 P34 Q37 L115 N317 I319A24-V28 WeakPolarHBondContact O-CG2 3.23Å; A24-V28 PolarHBondContact O-N 2.92Å; Y25-V28 PolarHBondContact O-N 3.35Å; R26-V28 VanDerWaalsContact C-N 3.27Å; R26-V28 PolarHBondContact O-N 3.3Å; V28-P34 HydrophobicContact CG1-CB 4.49Å; V28-P34 WeakPolarHBondContact O-CB 3.41Å; V28-Q37 HydrophobicContact CG2-CG 3.58Å; V28-L115 HydrophobicContact CG1-CD1 4.23Å; V28-L115 HydrophobicContact CG2-CD1 4.41Å; V28-N317 HydrophobicContact CG1-CB 3.51Å; V28-I319 HydrophobicContact CG2-CD1 4.11Å; V28-I319 HydrophobicContact CG2-CG1 3.92Å
29Q67.3Low79.2Confident123 Ų12348.8 Ų48.858%0.57526%0.26SS*.Hα-helixtrans-77.4-29.1-178-166.1-179.712.800114.3Y25 R26 Q119Y25-Q29 PolarHBondContact O-N 3.06Å; R26-Q29 CarbonylContact O-C 3.52Å; R26-Q29 PolarHBondContact O-N 2.93Å; R26-Q29 VanDerWaalsContact O-N 3.09Å; Q29-Q119 HydrophobicContact CB-CG 4.39Å; Q29-Q119 HydrophobicContact CG-CG 4.41Å
30G54.3Low79.3Confident66 Ų6647.7 Ų47.768%0.6826%0.255SS*.SBendtrans-96.5-4-159.900000117.3R26R26-G30 WeakPolarHBondContact O-CA 3.34Å; R26-G30 PolarHBondContact O-N 3.29Å
31Q53.5Low79.3Confident101 Ų10145.9 Ų45.947%0.47224%0.244SC..SBendtrans-106.5145.1-175.3-62.5-164.47.500112.7E33Q31-E33 WeakPolarHBondContact CB-O 3.43Å; Q31-E33 PolarHBondContact O-N 3.48Å; Q31-E33 PolarHBondContact OE1-O 2.81Å
32L45.9Very low79.2Confident147 Ų14746 Ų4677%0.7725%0.245SC*.SBendtrans-57.6-27.8172-86145.4000111.7
33E56.3Low79Confident158 Ų15846.2 Ų46.274%0.73825%0.247SC*.SBendtrans-123.9115.4165.9-67.6-174.4174.900108.5Q31 V35Q31-E33 WeakPolarHBondContact CB-O 3.43Å; Q31-E33 PolarHBondContact O-N 3.48Å; Q31-E33 PolarHBondContact OE1-O 2.81Å; E33-V35 PolarHBondContact O-N 3.22Å
34P64.8Low79Confident53 Ų5344.4 Ų44.434%0.34424%0.238SC..PPolyproline II helixtrans-73.3122.1-175.930.8-35.5000110V28 N317V28-P34 HydrophobicContact CG1-CB 4.49Å; V28-P34 WeakPolarHBondContact O-CB 3.41Å; P34-N317 VanDerWaalsContact C-ND2 3.31Å; P34-N317 VanDerWaalsContact CB-ND2 3.35Å; P34-N317 WeakPolarHBondContact CB-ND2 3.34Å; P34-N317 VanDerWaalsContact CB-OD1 3.27Å; P34-N317 WeakPolarHBondContact CB-OD1 3.48Å; P34-N317 WeakPolarHBondContact CG-OD1 3.36Å; P34-N317 PolarHBondContact O-ND2 2.92Å
35V80.1Confident78.7Confident54 Ų5444.5 Ų44.533%0.32724%0.239SC..PPolyproline II helixtrans-95.5135.9179.4-179.90000109.7E33 Q37 A517E33-V35 PolarHBondContact O-N 3.22Å; V35-Q37 PolarHBondContact O-NE2 2.91Å; V35-A517 HydrophobicContact CG1-CB 4.41Å
36N90.6Very high78.4Confident37 Ų3745.2 Ų45.220%0.19825%0.251CS..PPolyproline II helixtrans-65.7143.5175.7-62-42.2000110.8N317 F318 T516 A517N36-N317 VanDerWaalsContact OD1-CA 3.32Å; N36-N317 WeakPolarHBondContact OD1-CA 3.36Å; N36-N317 PolarHBondContact OD1-ND2 3.07Å; N36-F318 WeakPolarHBondContact CA-O 3.44Å; N36-F318 HydrophobicContact CB-CD1 3.91Å; N36-F318 HydrophobicContact CB-CD2 4.28Å; N36-F318 HydrophobicContact CB-CE1 3.63Å; N36-F318 HydrophobicContact CB-CE2 3.99Å; N36-F318 HydrophobicContact CB-CG 4.25Å; N36-F318 HydrophobicContact CB-CZ 3.68Å; N36-F318 WeakPolarHBondContact ND2-CE1 3.28Å; N36-F318 WeakPolarHBondContact OD1-CD1 3.43Å; N36-F318 PolarHBondContact OD1-N 3.05Å; N36-T516 HydrophobicContact CB-CG2 3.87Å; N36-T516 CarbonylContact O-C 3.58Å; N36-T516 WeakPolarHBondContact O-CA 3.43Å; N36-T516 WeakPolarHBondContact O-CB 3.42Å; N36-A517 PolarHBondContact O-N 3.43Å
37Q92.6Very high78.6Confident1 Ų142.7 Ų42.71%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-111.1153-177.2-52.6-66.9-61.500110A24 V28 V35 F318 I319 G320 A517 H519A24-Q37 HydrophobicContact CB-CB 4.32Å; A24-Q37 HydrophobicContact CB-CG 4.42Å; A24-Q37 WeakPolarHBondContact O-CG 3.38Å; V28-Q37 HydrophobicContact CG2-CG 3.58Å; V35-Q37 PolarHBondContact O-NE2 2.91Å; Q37-F318 PolarHBondContact N-O 3.45Å; Q37-F318 VanDerWaalsContact N-O 3.08Å; Q37-I319 HydrophobicContact CB-CG1 4.33Å; Q37-I319 HydrophobicContact CB-CG2 4.46Å; Q37-I319 WeakPolarHBondContact O-CA 3.39Å; Q37-G320 PolarHBondContact O-N 3.27Å; Q37-A517 WeakPolarHBondContact CA-O 3.5Å; Q37-H519 PolarHBondContact OE1-NE2 3Å
38S94.5Very high79.1Confident0 Ų041.8 Ų41.80%025%0.247CC..EExtended strand (participates in β ladder)trans-132140168.357.50000111.2G320 T516 A517 P518 H519S38-G320 CarbonylContact C-O 3.49Å; S38-G320 WeakPolarHBondContact CA-O 3.19Å; S38-T516 VanDerWaalsContact CB-OG1 3.26Å; S38-T516 WeakPolarHBondContact CB-OG1 3.43Å; S38-T516 PolarHBondContact OG-OG1 2.92Å; S38-A517 PolarHBondContact N-O 3.28Å; S38-P518 CarbonylContact O-C 3.25Å; S38-P518 WeakPolarHBondContact O-CA 3.37Å; S38-P518 WeakPolarHBondContact OG-CA 3.34Å; S38-H519 PolarHBondContact O-N 3.47Å
39L94.9Very high79.6Confident0 Ų042.3 Ų42.30%025%0.25CC..EExtended strand (participates in β ladder)trans-112.8109.4175.6-67.8139.4000107.2V20 A24 L56 Y60 I319 G320 V321 L322 H519V20-L39 HydrophobicContact CG1-CD2 3.75Å; A24-L39 HydrophobicContact CB-CD2 4.48Å; L39-L56 HydrophobicContact CB-CD1 4.24Å; L39-L56 HydrophobicContact CD1-CD1 4.47Å; L39-L56 HydrophobicContact CD2-CD1 4.37Å; L39-L56 HydrophobicContact CD2-CD2 4.32Å; L39-Y60 HydrophobicContact CD1-CE2 3.69Å; L39-Y60 WeakPolarHBondContact CD1-OH 3.32Å; L39-I319 HydrophobicContact CD1-CG2 3.53Å; L39-G320 PolarHBondContact N-O 2.9Å; L39-V321 HydrophobicContact CD1-CG2 4.02Å; L39-L322 PolarHBondContact O-N 3.35Å; L39-H519 CarbonylContact C-O 3.49Å; L39-H519 WeakPolarHBondContact CA-O 3.45Å; L39-H519 HydrophobicContact CD2-CB 3.9Å; L39-H519 HydrophobicContact CG-CB 4.41Å
40V93.1Very high80.5Confident1 Ų137.4 Ų37.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-98.7106.7-179.11800000108.7L322 L513 H519 Y520 T521V40-L322 HydrophobicContact CG1-CD2 4.23Å; V40-L322 HydrophobicContact CG2-CD2 4.38Å; V40-L513 HydrophobicContact CG2-CD1 4.49Å; V40-L513 HydrophobicContact CG2-CD2 4.22Å; V40-H519 PolarHBondContact N-O 3.09Å; V40-Y520 HydrophobicContact CB-CD1 3.8Å; V40-Y520 HydrophobicContact CB-CE1 3.94Å; V40-Y520 HydrophobicContact CG1-CD1 3.93Å; V40-Y520 HydrophobicContact CG1-CE1 3.93Å; V40-Y520 HydrophobicContact CG2-CE1 4.24Å; V40-T521 PolarHBondContact O-N 2.73Å
41V92Very high82.1Confident0 Ų042.4 Ų42.40%023%0.226CC..EExtended strand (participates in β ladder)trans-95.9118.6176.6-171.40000108.7K49 T52 L56 L322V41-K49 HydrophobicContact CG1-CB 3.92Å; V41-K49 HydrophobicContact CG1-CG 4.13Å; V41-T52 HydrophobicContact CG1-CG2 4.15Å; V41-T52 HydrophobicContact CG2-CG2 4.41Å; V41-L56 HydrophobicContact CG2-CD1 4.01Å; V41-L322 PolarHBondContact N-O 3.38Å; V41-L322 VanDerWaalsContact N-O 3.15Å
42S89.1Confident84Confident4 Ų438.8 Ų38.83%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-136.6163.4-175.360.80000112T521 R522 C523S42-T521 PolarHBondContact N-O 2.67Å; S42-R522 WeakPolarHBondContact OG-CD 3.48Å; S42-R522 PolarHBondContact OG-NH1 3.06Å; S42-C523 PolarHBondContact O-N 2.65Å
43G87.3Confident86.1Confident5 Ų531.8 Ų31.85%0.05217%0.174CC..  trans145168.6-176.300000111.8K49 G326 C523G43-K49 WeakPolarHBondContact O-CD 3.45Å; G43-K49 WeakPolarHBondContact O-CE 3.46Å; G43-K49 PolarHBondContact O-NZ 2.83Å; G43-G326 WeakPolarHBondContact O-CA 3.43Å; G43-C523 WeakPolarHBondContact CA-O 3.33Å
44E85.1Confident87.6Confident47 Ų4727.8 Ų27.822%0.2215%0.153CC..SBendtrans-62.1163.1-178.7-65.3-170.2175.600113.5G46 A47 K49 Q543E44-G46 PolarHBondContact O-N 2.94Å; E44-A47 VanDerWaalsContact O-CB 3.27Å; E44-A47 WeakPolarHBondContact O-CB 3.39Å; E44-A47 PolarHBondContact O-N 3.15Å; E44-A47 VanDerWaalsContact O-N 3.12Å; E44-K49 PolarHBondContact O-NZ 3.5Å; E44-Q543 HydrophobicContact CG-CG 4.28Å; E44-Q543 WeakPolarHBondContact OE1-CG 3.44Å
45S83.3Confident88.9Confident3 Ų326.6 Ų26.62%0.02115%0.145CC..THydrogen-bonded Turntrans-59.4127174.7-169.20000111.2
46G82Confident89.5Confident28 Ų2824 Ų2429%0.28913%0.129SC..THydrogen-bonded Turntrans85.83.8-175.400000116.1E44 G48E44-G46 PolarHBondContact O-N 2.94Å; G46-G48 VanDerWaalsContact C-N 3.25Å; G46-G48 PolarHBondContact O-N 3.33Å
47A87.1Confident89.4Confident17 Ų1722.4 Ų22.414%0.1412%0.121CC..SBendtrans-74.5-6.7178.900000115.1E44 C523 K525E44-A47 VanDerWaalsContact O-CB 3.27Å; E44-A47 WeakPolarHBondContact O-CB 3.39Å; E44-A47 PolarHBondContact O-N 3.15Å; E44-A47 VanDerWaalsContact O-N 3.12Å; A47-C523 HydrophobicContact CB-CB 3.72Å; A47-C523 WeakPolarHBondContact O-CB 3.49Å; A47-K525 HydrophobicContact CB-CB 4.25Å
48G88.6Confident89.3Confident31 Ų3128.1 Ų28.132%0.3215%0.146SC..SBendtrans9722.7179.800000116G46 W51 T52G46-G48 VanDerWaalsContact C-N 3.25Å; G46-G48 PolarHBondContact O-N 3.33Å; G48-W51 PolarHBondContact O-N 3.35Å; G48-T52 PolarHBondContact O-N 3.48Å; G48-T52 PolarHBondContact O-OG1 3.44Å
49K89.2Confident89.2Confident13 Ų1328.1 Ų28.16%0.05715%0.146CC..Hα-helixtrans-56.2-55.4178.5-64.1-175-67.7-69.10112.8V41 G43 E44 W51 T52 S53 V324 G326 C523V41-K49 HydrophobicContact CG1-CB 3.92Å; V41-K49 HydrophobicContact CG1-CG 4.13Å; G43-K49 WeakPolarHBondContact O-CD 3.45Å; G43-K49 WeakPolarHBondContact O-CE 3.46Å; G43-K49 PolarHBondContact O-NZ 2.83Å; E44-K49 PolarHBondContact O-NZ 3.5Å; K49-W51 VanDerWaalsContact C-N 3.31Å; K49-W51 PolarHBondContact O-N 2.95Å; K49-T52 WeakPolarHBondContact O-CA 3.25Å; K49-T52 WeakPolarHBondContact O-CB 3.41Å; K49-T52 PolarHBondContact O-N 2.89Å; K49-S53 PolarHBondContact O-N 3.37Å; K49-S53 PolarHBondContact O-OG 3.12Å; K49-V324 WeakPolarHBondContact CE-O 3.37Å; K49-G326 VanDerWaalsContact CE-N 3.32Å; K49-C523 HydrophobicContact CG-CB 4.23Å
50T86.6Confident89Confident20 Ų2028.3 Ų28.312%0.12315%0.146CC..Hα-helixtrans-62-36.9-178.9-550000112.9S53 R54 S105 D323T50-S53 PolarHBondContact O-N 3.12Å; T50-R54 VanDerWaalsContact O-CG 3.31Å; T50-R54 WeakPolarHBondContact O-CG 3.37Å; T50-R54 PolarHBondContact O-N 2.84Å; T50-S105 PolarHBondContact OG1-OG 3.37Å; T50-S105 VanDerWaalsContact OG1-OG 3.13Å; T50-D323 VanDerWaalsContact CA-OD2 3.28Å; T50-D323 WeakPolarHBondContact CA-OD2 3.46Å; T50-D323 WeakPolarHBondContact CB-OD2 3.26Å; T50-D323 PolarHBondContact OG1-OD1 2.89Å; T50-D323 PolarHBondContact OG1-OD2 3.49Å
51W87.9Confident88.7Confident170 Ų17028.5 Ų28.564%0.64415%0.148SC*.Hα-helixtrans-63.7-41.4173.1-178-103.1000112.4G48 K49 R54 C55G48-W51 PolarHBondContact O-N 3.35Å; K49-W51 VanDerWaalsContact C-N 3.31Å; K49-W51 PolarHBondContact O-N 2.95Å; W51-R54 WeakPolarHBondContact O-CB 3.4Å; W51-R54 PolarHBondContact O-N 3.16Å; W51-C55 PolarHBondContact O-N 3.31Å; W51-C55 PolarHBondContact O-SG 3.48Å
52T92.5Very high88.4Confident25 Ų2531.1 Ų31.115%0.15316%0.164CC..Hα-helixtrans-64.2-44.9176.9-56.60000110.8I17 V41 G48 K49 R54 C55 L56 T521I17-T52 HydrophobicContact CD1-CG2 3.92Å; I17-T52 HydrophobicContact CG1-CG2 3.88Å; V41-T52 HydrophobicContact CG1-CG2 4.15Å; V41-T52 HydrophobicContact CG2-CG2 4.41Å; G48-T52 PolarHBondContact O-N 3.48Å; G48-T52 PolarHBondContact O-OG1 3.44Å; K49-T52 WeakPolarHBondContact O-CA 3.25Å; K49-T52 WeakPolarHBondContact O-CB 3.41Å; K49-T52 PolarHBondContact O-N 2.89Å; T52-R54 PolarHBondContact O-N 2.96Å; T52-C55 WeakPolarHBondContact O-CB 3.33Å; T52-C55 PolarHBondContact O-N 3.01Å; T52-C55 VanDerWaalsContact O-N 3.16Å; T52-L56 WeakPolarHBondContact O-CG 3.33Å; T52-L56 PolarHBondContact O-N 3.2Å; T52-T521 HydrophobicContact CG2-CG2 4Å
53S90.6Very high88.2Confident0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-61.3-40.7175-60.80000112.3K49 T50 L56 M57K49-S53 PolarHBondContact O-N 3.37Å; K49-S53 PolarHBondContact O-OG 3.12Å; T50-S53 PolarHBondContact O-N 3.12Å; S53-L56 PolarHBondContact O-N 2.9Å; S53-M57 WeakPolarHBondContact O-CE 3.47Å; S53-M57 WeakPolarHBondContact O-CG 3.48Å; S53-M57 PolarHBondContact O-N 2.91Å
54R88.4Confident88Confident75 Ų7531.5 Ų31.528%0.28317%0.165SC..Hα-helixtrans-60.1-43.9172.1-74.3167.2168.2-153.1-11.1112T50 W51 T52 L56 M57 K58 E91T50-R54 VanDerWaalsContact O-CG 3.31Å; T50-R54 WeakPolarHBondContact O-CG 3.37Å; T50-R54 PolarHBondContact O-N 2.84Å; W51-R54 WeakPolarHBondContact O-CB 3.4Å; W51-R54 PolarHBondContact O-N 3.16Å; T52-R54 PolarHBondContact O-N 2.96Å; R54-L56 PolarHBondContact O-N 3.36Å; R54-M57 HydrophobicContact CG-CE 4.28Å; R54-M57 PolarHBondContact O-N 3.33Å; R54-K58 WeakPolarHBondContact O-CB 3.44Å; R54-K58 PolarHBondContact O-N 3.41Å; R54-E91 IonicContact CZ-OE1 3.2Å; R54-E91 IonicContact CZ-OE2 3.33Å; R54-E91 IonicContact NE-OE1 2.72Å; R54-E91 PolarHBondContact NE-OE1 3.37Å; R54-E91 IonicContact NE-OE2 3.87Å; R54-E91 IonicContact NH2-OE1 3.73Å; R54-E91 PolarHBondContact NH2-OE1 3.05Å; R54-E91 IonicContact NH2-OE2 3.46Å; R54-E91 PolarHBondContact NH2-OE2 3.47Å
55C91.5Very high87.6Confident27 Ų2730.6 Ų30.618%0.18217%0.166CC..Hα-helixtrans-61-43176-68.60000112.2I17 F18 W51 T52 K58 Y59I17-C55 HydrophobicContact CG2-CB 4.41Å; F18-C55 HydrophobicContact CE1-CB 4.33Å; W51-C55 PolarHBondContact O-N 3.31Å; W51-C55 PolarHBondContact O-SG 3.48Å; T52-C55 WeakPolarHBondContact O-CB 3.33Å; T52-C55 PolarHBondContact O-N 3.01Å; T52-C55 VanDerWaalsContact O-N 3.16Å; C55-K58 PolarHBondContact O-N 3.33Å; C55-Y59 WeakPolarHBondContact O-CB 3.48Å; C55-Y59 PolarHBondContact O-N 2.91Å
56L92.8Very high86.6Confident0 Ų032.7 Ų32.70%018%0.181CC..Hα-helixtrans-62.2-48.2176-72171.7000111.6I17 A21 L39 V41 T52 S53 R54 K58 Y59 Y60 V321I17-L56 HydrophobicContact CD1-CD2 4.02Å; I17-L56 HydrophobicContact CD1-CG 4.42Å; I17-L56 HydrophobicContact CG1-CD2 3.62Å; I17-L56 HydrophobicContact CG1-CG 3.96Å; A21-L56 HydrophobicContact CB-CD2 3.7Å; L39-L56 HydrophobicContact CB-CD1 4.24Å; L39-L56 HydrophobicContact CD1-CD1 4.47Å; L39-L56 HydrophobicContact CD2-CD1 4.37Å; L39-L56 HydrophobicContact CD2-CD2 4.32Å; V41-L56 HydrophobicContact CG2-CD1 4.01Å; T52-L56 WeakPolarHBondContact O-CG 3.33Å; T52-L56 PolarHBondContact O-N 3.2Å; S53-L56 PolarHBondContact O-N 2.9Å; R54-L56 PolarHBondContact O-N 3.36Å; L56-K58 PolarHBondContact O-N 3.36Å; L56-Y59 WeakPolarHBondContact O-CB 3.42Å; L56-Y59 PolarHBondContact O-N 2.95Å; L56-Y60 WeakPolarHBondContact O-CD2 3.29Å; L56-Y60 PolarHBondContact O-N 2.97Å; L56-V321 HydrophobicContact CD1-CG1 4.34Å
57M89.6Confident85.4Confident3 Ų336.1 Ų36.12%0.01521%0.206CC..Hα-helixtrans-60.8-44.6177.5-72.6-176.3-72.700112S53 R54 Y59 Y60 A61 L84 N87 I111S53-M57 WeakPolarHBondContact O-CE 3.47Å; S53-M57 WeakPolarHBondContact O-CG 3.48Å; S53-M57 PolarHBondContact O-N 2.91Å; R54-M57 HydrophobicContact CG-CE 4.28Å; R54-M57 PolarHBondContact O-N 3.33Å; M57-Y59 VanDerWaalsContact C-N 3.27Å; M57-Y59 PolarHBondContact O-N 2.94Å; M57-Y60 PolarHBondContact O-N 3.2Å; M57-A61 WeakPolarHBondContact O-CB 3.42Å; M57-A61 PolarHBondContact O-N 3.48Å; M57-L84 HydrophobicContact CB-CD2 4.14Å; M57-N87 WeakPolarHBondContact CE-ND2 3.06Å; M57-N87 WeakPolarHBondContact CE-OD1 3.25Å; M57-I111 HydrophobicContact CE-CD1 4.05Å; M57-I111 HydrophobicContact SD-CD1 3.4Å; M57-I111 WeakPolarHBondContact SD-CD1 3.45Å; M57-I111 HydrophobicContact SD-CG2 4.38Å
58K89.4Confident83.5Confident121 Ų12144.1 Ų44.153%0.52624%0.241SC..Hα-helixtrans-62.9-35.6177-169174.4179.6169.90112.1M1 R54 C55 L56 T62 L84M1-K58 HydrophobicContact CE-CB 4.04Å; M1-K58 HydrophobicContact CE-CD 3.99Å; M1-K58 HydrophobicContact CE-CG 3.81Å; M1-K58 HydrophobicContact SD-CG 4.35Å; R54-K58 WeakPolarHBondContact O-CB 3.44Å; R54-K58 PolarHBondContact O-N 3.41Å; C55-K58 PolarHBondContact O-N 3.33Å; L56-K58 PolarHBondContact O-N 3.36Å; K58-T62 WeakPolarHBondContact O-CB 3.43Å; K58-T62 PolarHBondContact O-N 2.99Å; K58-T62 PolarHBondContact O-OG1 3.29Å; K58-L84 HydrophobicContact CB-CD2 4.38Å
59Y91.6Very high81.4Confident0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-61-53.5173.9-177.1-90.1000111.2M1 F18 A21 E22 C55 L56 M57 A61 T62 V63M1-Y59 HydrophobicContact CB-CD2 4Å; M1-Y59 HydrophobicContact CB-CE2 4.23Å; M1-Y59 HydrophobicContact CG-CD2 3.92Å; F18-Y59 HydrophobicContact CB-CD2 3.81Å; F18-Y59 HydrophobicContact CB-CE2 3.7Å; F18-Y59 AromaticContact CD1-CD2 3.37Å; F18-Y59 HydrophobicContact CD1-CD2 3.37Å; F18-Y59 HydrophobicContact CD1-CE2 4.19Å; F18-Y59 AromaticContact CD1-CG 3.89Å; F18-Y59 HydrophobicContact CD1-CG 3.89Å; F18-Y59 HydrophobicContact CD2-CD2 4.29Å; F18-Y59 HydrophobicContact CE1-CD2 4.03Å; F18-Y59 HydrophobicContact CE1-CG 4.44Å; F18-Y59 AromaticContact CG-CD2 3.55Å; F18-Y59 HydrophobicContact CG-CD2 3.55Å; F18-Y59 AromaticContact CG-CE2 3.93Å; F18-Y59 HydrophobicContact CG-CE2 3.93Å; F18-Y59 HydrophobicContact CG-CG 4.46Å; A21-Y59 HydrophobicContact CB-CD1 3.42Å; A21-Y59 VanDerWaalsContact CB-CD1 3.42Å; A21-Y59 HydrophobicContact CB-CE1 3.74Å; A21-Y59 HydrophobicContact CB-CG 3.9Å; E22-Y59 HydrophobicContact CB-CE1 4.47Å; E22-Y59 WeakPolarHBondContact CB-OH 3.38Å; E22-Y59 PolarHBondContact OE2-OH 3.43Å; C55-Y59 WeakPolarHBondContact O-CB 3.48Å; C55-Y59 PolarHBondContact O-N 2.91Å; L56-Y59 WeakPolarHBondContact O-CB 3.42Å; L56-Y59 PolarHBondContact O-N 2.95Å; M57-Y59 VanDerWaalsContact C-N 3.27Å; M57-Y59 PolarHBondContact O-N 2.94Å; Y59-A61 PolarHBondContact O-N 3.26Å; Y59-T62 PolarHBondContact O-N 3.37Å; Y59-T62 VanDerWaalsContact O-N 3.09Å; Y59-V63 HydrophobicContact CD1-CG2 4.26Å; Y59-V63 HydrophobicContact CD2-CG2 4.39Å; Y59-V63 HydrophobicContact CE1-CB 4.24Å; Y59-V63 HydrophobicContact CE1-CG1 4.46Å; Y59-V63 HydrophobicContact CE1-CG2 3.85Å; Y59-V63 HydrophobicContact CE2-CG2 3.99Å; Y59-V63 WeakPolarHBondContact O-CB 3.41Å; Y59-V63 WeakPolarHBondContact O-CG2 3.42Å; Y59-V63 PolarHBondContact O-N 2.92Å
60Y90.7Very high79.3Confident4 Ų449.3 Ų49.32%0.01627%0.27CS..Hα-helixtrans-64.5-40.8179.8-68.3-58.6000112.8A21 A24 Y25 L39 L56 M57 T62 V63 A64 L113 I319A21-Y60 VanDerWaalsContact CA-OH 3.24Å; A21-Y60 WeakPolarHBondContact CA-OH 3.39Å; A21-Y60 HydrophobicContact CB-CE1 4.48Å; A21-Y60 HydrophobicContact CB-CE2 4.46Å; A21-Y60 WeakPolarHBondContact O-CE1 3.37Å; A21-Y60 PolarHBondContact O-OH 3.49Å; A24-Y60 WeakPolarHBondContact CB-OH 3.42Å; Y25-Y60 HydrophobicContact CD2-CD1 4.26Å; Y25-Y60 HydrophobicContact CD2-CE1 4.28Å; L39-Y60 HydrophobicContact CD1-CE2 3.69Å; L39-Y60 WeakPolarHBondContact CD1-OH 3.32Å; L56-Y60 WeakPolarHBondContact O-CD2 3.29Å; L56-Y60 PolarHBondContact O-N 2.97Å; M57-Y60 PolarHBondContact O-N 3.2Å; Y60-T62 PolarHBondContact O-N 2.89Å; Y60-V63 PolarHBondContact O-N 3.01Å; Y60-A64 VanDerWaalsContact O-CB 3.24Å; Y60-A64 WeakPolarHBondContact O-CB 3.49Å; Y60-A64 PolarHBondContact O-N 3.3Å; Y60-L113 HydrophobicContact CD2-CD1 3.52Å; Y60-L113 HydrophobicContact CE2-CD1 4.4Å; Y60-L113 HydrophobicContact CG-CD1 3.87Å; Y60-I319 HydrophobicContact CD1-CD1 4.1Å; Y60-I319 HydrophobicContact CE1-CD1 3.57Å; Y60-I319 HydrophobicContact CE2-CG2 4.02Å
61A86.7Confident77.2Confident6 Ų654.3 Ų54.35%0.0531%0.306CS..Hα-helixtrans-58.1-35.1173.400000111.7M57 Y59 A65 E80 L84M57-A61 WeakPolarHBondContact O-CB 3.42Å; M57-A61 PolarHBondContact O-N 3.48Å; Y59-A61 PolarHBondContact O-N 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.36Å; A61-E80 HydrophobicContact CB-CB 4.34Å; A61-E80 HydrophobicContact CB-CG 4.44Å; A61-L84 HydrophobicContact CB-CD1 4.16Å; A61-L84 HydrophobicContact CB-CG 4.46Å
62T86.3Confident75.3Confident55 Ų5549 Ų4934%0.33730%0.295SS..Hα-helixtrans-81.1-35.8179.8-54.20000113.2K58 Y59 Y60K58-T62 WeakPolarHBondContact O-CB 3.43Å; K58-T62 PolarHBondContact O-N 2.99Å; K58-T62 PolarHBondContact O-OG1 3.29Å; Y59-T62 PolarHBondContact O-N 3.37Å; Y59-T62 VanDerWaalsContact O-N 3.09Å; Y60-T62 PolarHBondContact O-N 2.89Å
63V86.3Confident73.2Confident15 Ų1552.9 Ų52.99%0.09131%0.311CS..Hα-helixtrans-91.5-37.8-1711690000112.5H5 Y25 Y59 Y60 A65H5-V63 HydrophobicContact CB-CG1 4.19Å; H5-V63 HydrophobicContact CB-CG2 3.95Å; H5-V63 VanDerWaalsContact CE1-CG1 3.5Å; H5-V63 WeakPolarHBondContact CE1-CG1 3.46Å; H5-V63 WeakPolarHBondContact ND1-CG1 3.27Å; Y25-V63 HydrophobicContact CD1-CG1 4.03Å; Y25-V63 HydrophobicContact CE1-CG1 3.78Å; Y59-V63 HydrophobicContact CD1-CG2 4.26Å; Y59-V63 HydrophobicContact CD2-CG2 4.39Å; Y59-V63 HydrophobicContact CE1-CB 4.24Å; Y59-V63 HydrophobicContact CE1-CG1 4.46Å; Y59-V63 HydrophobicContact CE1-CG2 3.85Å; Y59-V63 HydrophobicContact CE2-CG2 3.99Å; Y59-V63 WeakPolarHBondContact O-CB 3.41Å; Y59-V63 WeakPolarHBondContact O-CG2 3.42Å; Y59-V63 PolarHBondContact O-N 2.92Å; Y60-V63 PolarHBondContact O-N 3.01Å; V63-A65 PolarHBondContact O-N 3.5Å
64A82.6Confident71.4Confident1 Ų158.1 Ų58.11%0.00834%0.339CS..SBendtrans-88.310.3177.600000112.7Y25 Y60 L115 L120 L121Y25-A64 HydrophobicContact CE2-CB 3.91Å; Y60-A64 VanDerWaalsContact O-CB 3.24Å; Y60-A64 WeakPolarHBondContact O-CB 3.49Å; Y60-A64 PolarHBondContact O-N 3.3Å; A64-L115 HydrophobicContact CB-CD2 4.26Å; A64-L120 WeakPolarHBondContact O-CA 3.23Å; A64-L120 WeakPolarHBondContact O-CD2 3.34Å; A64-L121 HydrophobicContact CB-CB 3.98Å; A64-L121 PolarHBondContact O-N 3.36Å
65A76.4Confident69.7Low28 Ų2857 Ų5723%0.23135%0.346CS..SBendtrans-73.9139.1173.300000112A61 V63 A67 E80A61-A65 WeakPolarHBondContact O-CB 3.36Å; V63-A65 PolarHBondContact O-N 3.5Å; A65-A67 PolarHBondContact O-N 3.38Å; A65-A67 VanDerWaalsContact O-N 3.13Å; A65-E80 WeakPolarHBondContact CA-OE1 3.1Å; A65-E80 WeakPolarHBondContact CB-OE1 3.25Å
66S62.9Low67.7Low48 Ų4857 Ų5734%0.33635%0.348SS..  trans-71.8106.6176.3-174.50000111.4Q68S66-Q68 VanDerWaalsContact C-N 3.29Å; S66-Q68 PolarHBondContact O-N 3.35Å
67A56.5Low66.1Low99 Ų9961 Ų6182%0.81837%0.366SS*.SBendtrans-76.8-8.9175.300000114.2A65A65-A67 PolarHBondContact O-N 3.38Å; A65-A67 VanDerWaalsContact O-N 3.13Å
68Q47.5Very low65Low186 Ų18667.3 Ų67.387%0.86939%0.39SS*.SBendtrans-116.71.5-162.9-79.4-170.5-11.900117S66S66-Q68 VanDerWaalsContact C-N 3.29Å; S66-Q68 PolarHBondContact O-N 3.35Å
69A42.8Very low64.4Low29 Ų2963.5 Ų63.524%0.2438%0.375CS..  trans-116.682.6-176.400000113.1S71 S72 Q73A69-S71 PolarHBondContact O-N 3.27Å; A69-S72 WeakPolarHBondContact CB-OG 3.39Å; A69-S72 PolarHBondContact O-N 3.34Å; A69-Q73 PolarHBondContact O-N 3.46Å
70V45.4Very low63.7Low123 Ų12364.9 Ų64.975%0.74538%0.382SS*.THydrogen-bonded Turntrans-59.6-13177-179.90000113.3
71S43.8Very low63.1Low126 Ų12671.4 Ų71.488%0.88141%0.406SS*.THydrogen-bonded Turntrans-101.5-6.517663.60000115A69A69-S71 PolarHBondContact O-N 3.27Å
72S46.9Very low62.9Low58 Ų5874.6 Ų74.641%0.40642%0.417SS..SBendtrans-132.524.7179.1550000112.6A69 D74 A75 A76A69-S72 WeakPolarHBondContact CB-OG 3.39Å; A69-S72 PolarHBondContact O-N 3.34Å; S72-D74 VanDerWaalsContact C-N 3.32Å; S72-D74 PolarHBondContact O-N 3.34Å; S72-A75 PolarHBondContact O-N 3.47Å; S72-A76 PolarHBondContact O-N 2.96Å
73Q48.6Very low62.8Low107 Ų10772.2 Ų72.250%0.540%0.402SS..Hα-helixtrans-57.3-44.4172.7-85.1174.5-2900111.2A69 A75 A76 E77A69-Q73 PolarHBondContact O-N 3.46Å; Q73-A75 VanDerWaalsContact C-N 3.27Å; Q73-A75 PolarHBondContact O-N 3.48Å; Q73-A76 PolarHBondContact O-N 2.92Å; Q73-E77 WeakPolarHBondContact O-CB 3.47Å; Q73-E77 PolarHBondContact O-N 3.25Å
74D52.1Low62.7Low110 Ų11074 Ų7459%0.58841%0.411SS*.Hα-helixtrans-61.8-33.2-176.9-61.8-17.8000113.2S72 R78S72-D74 VanDerWaalsContact C-N 3.32Å; S72-D74 PolarHBondContact O-N 3.34Å; D74-R78 WeakPolarHBondContact O-CB 3.26Å; D74-R78 WeakPolarHBondContact O-CD 3.13Å; D74-R78 WeakPolarHBondContact O-CG 3.38Å; D74-R78 PolarHBondContact O-N 3.46Å; D74-R78 PolarHBondContact O-NE 3.16Å
75A52.6Low62.8Low51 Ų5175.8 Ų75.842%0.42142%0.421SS..Hα-helixtrans-81.9-40.3-175.300000112.8S72 Q73 I79S72-A75 PolarHBondContact O-N 3.47Å; Q73-A75 VanDerWaalsContact C-N 3.27Å; Q73-A75 PolarHBondContact O-N 3.48Å; A75-I79 WeakPolarHBondContact O-CG1 3.11Å; A75-I79 PolarHBondContact O-N 3.19Å
76A50.8Low63.4Low27 Ų2774.6 Ų74.622%0.22341%0.41CS..Hα-helixtrans-72.4-44.5177.300000111.3S72 Q73 R78 I79 E80S72-A76 PolarHBondContact O-N 2.96Å; Q73-A76 PolarHBondContact O-N 2.92Å; A76-R78 PolarHBondContact O-N 3.05Å; A76-I79 PolarHBondContact O-N 3.31Å; A76-I79 VanDerWaalsContact O-N 3.08Å; A76-E80 PolarHBondContact O-N 3.32Å; A76-E80 VanDerWaalsContact O-N 3.09Å
77E58.8Low64.5Low83 Ų8372.5 Ų72.539%0.38840%0.395SS..Hα-helixtrans-64.8-29.4176.1-162.6169.7-161.400111.4Q73 R81Q73-E77 WeakPolarHBondContact O-CB 3.47Å; Q73-E77 PolarHBondContact O-N 3.25Å; E77-R81 VanDerWaalsContact CD-NH2 3.25Å; E77-R81 WeakPolarHBondContact O-CB 3.39Å; E77-R81 VanDerWaalsContact O-CG 3.25Å; E77-R81 WeakPolarHBondContact O-CG 3.43Å; E77-R81 PolarHBondContact O-N 3Å; E77-R81 VanDerWaalsContact O-N 3.15Å; E77-R81 IonicContact OE1-CZ 3.47Å; E77-R81 IonicContact OE1-NE 3.76Å; E77-R81 IonicContact OE1-NH2 2.65Å; E77-R81 PolarHBondContact OE1-NH2 3.38Å; E77-R81 IonicContact OE2-NH2 3.93Å
78R67.3Low66.1Low136 Ų13668.8 Ų68.851%0.51336%0.363SS..Hα-helixtrans-63.7-43.7170-89.9-179.8-88.8-157.8-3.2112.8D74 A76 R82D74-R78 WeakPolarHBondContact O-CB 3.26Å; D74-R78 WeakPolarHBondContact O-CD 3.13Å; D74-R78 WeakPolarHBondContact O-CG 3.38Å; D74-R78 PolarHBondContact O-N 3.46Å; D74-R78 PolarHBondContact O-NE 3.16Å; A76-R78 PolarHBondContact O-N 3.05Å; R78-R82 VanDerWaalsContact O-CB 3.25Å; R78-R82 WeakPolarHBondContact O-CB 3.11Å; R78-R82 WeakPolarHBondContact O-CD 3.27Å; R78-R82 WeakPolarHBondContact O-CG 3.36Å; R78-R82 PolarHBondContact O-N 3.17Å
79I76Confident68.1Low41 Ų4160 Ų6021%0.2132%0.322CS..Hα-helixtrans-72.4-45.3-177-66.3162.9000110.6A75 A76 R81 R82 V83 V122A75-I79 WeakPolarHBondContact O-CG1 3.11Å; A75-I79 PolarHBondContact O-N 3.19Å; A76-I79 PolarHBondContact O-N 3.31Å; A76-I79 VanDerWaalsContact O-N 3.08Å; I79-R81 PolarHBondContact O-N 2.89Å; I79-R82 PolarHBondContact O-N 2.98Å; I79-V83 HydrophobicContact CG2-CG2 4.4Å; I79-V83 WeakPolarHBondContact O-CG2 3Å; I79-V83 PolarHBondContact O-N 2.91Å; I79-V122 WeakPolarHBondContact CD1-O 3.46Å
80E75.8Confident70.4Confident30 Ų3058.8 Ų58.814%0.1431%0.311CS..Hα-helixtrans-57.4-48.3177.6-71.1164-153.200111.8A61 A65 A76 V83 L84 L121A61-E80 HydrophobicContact CB-CB 4.34Å; A61-E80 HydrophobicContact CB-CG 4.44Å; A65-E80 WeakPolarHBondContact CA-OE1 3.1Å; A65-E80 WeakPolarHBondContact CB-OE1 3.25Å; A76-E80 PolarHBondContact O-N 3.32Å; A76-E80 VanDerWaalsContact O-N 3.09Å; E80-V83 PolarHBondContact O-N 3.04Å; E80-L84 WeakPolarHBondContact O-CG 3.39Å; E80-L84 PolarHBondContact O-N 3.24Å; E80-L121 HydrophobicContact CG-CD2 4.18Å
81R78.6Confident72.6Confident141 Ų14153.3 Ų53.353%0.53228%0.278SS..Hα-helixtrans-64.3-45.1176.4-70.5179.3-172-179.94.3111.7E77 I79 V83 L84 D85E77-R81 VanDerWaalsContact CD-NH2 3.25Å; E77-R81 WeakPolarHBondContact O-CB 3.39Å; E77-R81 VanDerWaalsContact O-CG 3.25Å; E77-R81 WeakPolarHBondContact O-CG 3.43Å; E77-R81 PolarHBondContact O-N 3Å; E77-R81 VanDerWaalsContact O-N 3.15Å; E77-R81 IonicContact OE1-CZ 3.47Å; E77-R81 IonicContact OE1-NE 3.76Å; E77-R81 IonicContact OE1-NH2 2.65Å; E77-R81 PolarHBondContact OE1-NH2 3.38Å; E77-R81 IonicContact OE2-NH2 3.93Å; I79-R81 PolarHBondContact O-N 2.89Å; R81-V83 VanDerWaalsContact C-N 3.31Å; R81-V83 PolarHBondContact O-N 3.21Å; R81-L84 PolarHBondContact O-N 3.15Å; R81-L84 VanDerWaalsContact O-N 3.08Å; R81-D85 WeakPolarHBondContact O-CB 3.33Å; R81-D85 PolarHBondContact O-N 3.04Å
82R83.3Confident74.9Confident72 Ų7247.4 Ų47.427%0.27224%0.236SC..Hα-helixtrans-58.9-38.9176.8-76.6170.2178.4-173.20.7113.3R78 I79 S86 H196 L197 C307 I308R78-R82 VanDerWaalsContact O-CB 3.25Å; R78-R82 WeakPolarHBondContact O-CB 3.11Å; R78-R82 WeakPolarHBondContact O-CD 3.27Å; R78-R82 WeakPolarHBondContact O-CG 3.36Å; R78-R82 PolarHBondContact O-N 3.17Å; I79-R82 PolarHBondContact O-N 2.98Å; R82-S86 PolarHBondContact O-N 3.27Å; R82-H196 PolarHBondContact NE-O 3.14Å; R82-L197 HydrophobicContact CB-CD2 4.12Å; R82-L197 HydrophobicContact CG-CD2 4.37Å; R82-L197 WeakPolarHBondContact O-CD2 3.43Å; R82-C307 PolarHBondContact NH1-O 3.04Å; R82-I308 HydrophobicContact CB-CG2 3.93Å
83V84Confident77.2Confident5 Ų544.7 Ų44.73%0.0322%0.217CC..Hα-helixtrans-64.9-41.5176.1173.30000110.8I79 E80 R81 S86 L113 A124 I308I79-V83 HydrophobicContact CG2-CG2 4.4Å; I79-V83 WeakPolarHBondContact O-CG2 3Å; I79-V83 PolarHBondContact O-N 2.91Å; E80-V83 PolarHBondContact O-N 3.04Å; R81-V83 VanDerWaalsContact C-N 3.31Å; R81-V83 PolarHBondContact O-N 3.21Å; V83-S86 PolarHBondContact O-OG 3.22Å; V83-L113 HydrophobicContact CG1-CD2 4.01Å; V83-A124 HydrophobicContact CG1-CB 4.32Å; V83-A124 HydrophobicContact CG2-CB 3.57Å; V83-I308 HydrophobicContact CG2-CB 4.45Å; V83-I308 HydrophobicContact CG2-CG2 4.45Å
84L84.6Confident79.2Confident53 Ų5339.6 Ų39.628%0.27719%0.193SC..Hα-helixtrans-69.5-45.1177.6-66.2174.2000112.1M57 K58 A61 E80 R81 S86 N87 P88M57-L84 HydrophobicContact CB-CD2 4.14Å; K58-L84 HydrophobicContact CB-CD2 4.38Å; A61-L84 HydrophobicContact CB-CD1 4.16Å; A61-L84 HydrophobicContact CB-CG 4.46Å; E80-L84 WeakPolarHBondContact O-CG 3.39Å; E80-L84 PolarHBondContact O-N 3.24Å; R81-L84 PolarHBondContact O-N 3.15Å; R81-L84 VanDerWaalsContact O-N 3.08Å; L84-S86 PolarHBondContact O-N 3.47Å; L84-N87 PolarHBondContact O-N 3.48Å; L84-N87 VanDerWaalsContact O-N 3.13Å; L84-N87 PolarHBondContact O-ND2 3.45Å; L84-P88 WeakPolarHBondContact O-CD 3.07Å
85D83.9Confident81.1Confident39 Ų3934.3 Ų34.321%0.20917%0.165CC..Hα-helixtrans-68.4-19.1-178.9-66.1-8.8000112.8R81 N87 P88 A193 H196R81-D85 WeakPolarHBondContact O-CB 3.33Å; R81-D85 PolarHBondContact O-N 3.04Å; D85-N87 PolarHBondContact O-N 2.91Å; D85-P88 WeakPolarHBondContact O-CD 3.18Å; D85-A193 HydrophobicContact CB-CB 4.34Å; D85-H196 IonicContact OD2-CE1 3.99Å; D85-H196 IonicContact OD2-CG 2.66Å; D85-H196 IonicContact OD2-ND1 2.87Å; D85-H196 PolarHBondContact OD2-ND1 2.93Å
86S88.3Confident82.8Confident2 Ų231.9 Ų31.91%0.01415%0.145CC..Hα-helixtrans-62.9-25.7170.875.20000113.4R82 V83 L84 M90R82-S86 PolarHBondContact O-N 3.27Å; V83-S86 PolarHBondContact O-OG 3.22Å; L84-S86 PolarHBondContact O-N 3.47Å; S86-M90 WeakPolarHBondContact O-CE 3.26Å; S86-M90 WeakPolarHBondContact O-CG 3.37Å; S86-M90 PolarHBondContact O-N 3.38Å; S86-M90 VanDerWaalsContact O-N 3.08Å
87N87.4Confident84.5Confident4 Ų431.3 Ų31.32%0.02114%0.139CC..Hα-helixtrans-71.7-51.7-177.4-68.2-66.2000113.3M57 L84 D85 L89 M90 E91 K109M57-N87 WeakPolarHBondContact CE-ND2 3.06Å; M57-N87 WeakPolarHBondContact CE-OD1 3.25Å; L84-N87 PolarHBondContact O-N 3.48Å; L84-N87 VanDerWaalsContact O-N 3.13Å; L84-N87 PolarHBondContact O-ND2 3.45Å; D85-N87 PolarHBondContact O-N 2.91Å; N87-L89 PolarHBondContact O-N 3.43Å; N87-M90 PolarHBondContact O-N 3.35Å; N87-E91 WeakPolarHBondContact O-CB 3.49Å; N87-E91 VanDerWaalsContact O-CG 3.29Å; N87-E91 WeakPolarHBondContact O-CG 3.33Å; N87-E91 PolarHBondContact O-N 3.07Å; N87-K109 PolarHBondContact OD1-NZ 3.48Å
88P88.9Confident85.6Confident21 Ų2127.5 Ų27.514%0.13612%0.122CC..Hα-helixtrans-49.1-44.5174.1-29.433000113L84 D85 E91 A92 E189 A193L84-P88 WeakPolarHBondContact O-CD 3.07Å; D85-P88 WeakPolarHBondContact O-CD 3.18Å; P88-E91 PolarHBondContact O-N 2.95Å; P88-A92 WeakPolarHBondContact O-CB 3.43Å; P88-A92 PolarHBondContact O-N 3.21Å; P88-E189 HydrophobicContact CB-CG 4.38Å; P88-A193 HydrophobicContact CB-CB 4.33Å
89L90.9Very high86.1Confident1 Ų126.9 Ų26.91%0.00513%0.128CC..Hα-helixtrans-63.2-50.8178.4-17957.3000112.4N87 E91 A92 F93 T190 M194 L197 I199 L300 I304N87-L89 PolarHBondContact O-N 3.43Å; L89-E91 VanDerWaalsContact C-N 3.26Å; L89-E91 PolarHBondContact O-N 3.44Å; L89-A92 PolarHBondContact O-N 3.49Å; L89-F93 HydrophobicContact CD1-CD2 3.77Å; L89-F93 HydrophobicContact CD1-CE2 3.58Å; L89-F93 WeakPolarHBondContact O-CD2 3.45Å; L89-F93 PolarHBondContact O-N 3.13Å; L89-T190 HydrophobicContact CD1-CG2 4.22Å; L89-M194 HydrophobicContact CD1-CG 3.6Å; L89-M194 HydrophobicContact CD1-SD 4.14Å; L89-M194 HydrophobicContact CD2-CG 4.22Å; L89-M194 HydrophobicContact CG-CG 4.5Å; L89-L197 HydrophobicContact CB-CD1 4.3Å; L89-L197 HydrophobicContact CD2-CD1 3.55Å; L89-I199 HydrophobicContact CD2-CD1 4.04Å; L89-L300 HydrophobicContact CD2-CD2 4.45Å; L89-I304 HydrophobicContact CD2-CD1 3.99Å; L89-I304 HydrophobicContact CD2-CG1 4.27Å
90M91.3Very high86Confident4 Ų428.5 Ų28.52%0.0213%0.131CC..Hα-helixtrans-64.6-31.5178.6-71.5-173-74.800112.7S86 N87 G94 F107 V126 I304S86-M90 WeakPolarHBondContact O-CE 3.26Å; S86-M90 WeakPolarHBondContact O-CG 3.37Å; S86-M90 PolarHBondContact O-N 3.38Å; S86-M90 VanDerWaalsContact O-N 3.08Å; N87-M90 PolarHBondContact O-N 3.35Å; M90-G94 VanDerWaalsContact O-CA 3.26Å; M90-G94 WeakPolarHBondContact O-CA 3.39Å; M90-G94 PolarHBondContact O-N 3.27Å; M90-F107 HydrophobicContact CB-CE2 4.47Å; M90-F107 HydrophobicContact CB-CZ 3.79Å; M90-F107 WeakPolarHBondContact O-CE1 3.5Å; M90-F107 HydrophobicContact SD-CE2 4.33Å; M90-F107 HydrophobicContact SD-CZ 4.47Å; M90-V126 HydrophobicContact CE-CG1 4.4Å; M90-V126 HydrophobicContact CE-CG2 4.43Å; M90-V126 HydrophobicContact SD-CG1 3.78Å; M90-I304 HydrophobicContact CG-CD1 3.97Å
91E90.3Very high86.1Confident9 Ų929 Ų294%0.04214%0.135CC..Hα-helixtrans-74.5-37.9176.9-69.7-175.2-147.100112.1R54 N87 P88 L89 F93 G94 N95 N103R54-E91 IonicContact CZ-OE1 3.2Å; R54-E91 IonicContact CZ-OE2 3.33Å; R54-E91 IonicContact NE-OE1 2.72Å; R54-E91 PolarHBondContact NE-OE1 3.37Å; R54-E91 IonicContact NE-OE2 3.87Å; R54-E91 IonicContact NH2-OE1 3.73Å; R54-E91 PolarHBondContact NH2-OE1 3.05Å; R54-E91 IonicContact NH2-OE2 3.46Å; R54-E91 PolarHBondContact NH2-OE2 3.47Å; N87-E91 WeakPolarHBondContact O-CB 3.49Å; N87-E91 VanDerWaalsContact O-CG 3.29Å; N87-E91 WeakPolarHBondContact O-CG 3.33Å; N87-E91 PolarHBondContact O-N 3.07Å; P88-E91 PolarHBondContact O-N 2.95Å; L89-E91 VanDerWaalsContact C-N 3.26Å; L89-E91 PolarHBondContact O-N 3.44Å; E91-F93 VanDerWaalsContact C-N 3.31Å; E91-F93 PolarHBondContact O-N 3.38Å; E91-G94 PolarHBondContact O-N 2.96Å; E91-N95 HydrophobicContact CB-CB 4.44Å; E91-N95 WeakPolarHBondContact CG-ND2 3.34Å; E91-N95 WeakPolarHBondContact O-CA 3.45Å; E91-N95 WeakPolarHBondContact O-CB 3.49Å; E91-N95 PolarHBondContact O-N 3.48Å; E91-N103 PolarHBondContact OE2-ND2 3.32Å
92A92.4Very high86.3Confident1 Ų126.5 Ų26.51%0.00813%0.132CC..Hα-helixtrans-58.1-44.5174.100000111.6P88 L89 H147 I148 T190P88-A92 WeakPolarHBondContact O-CB 3.43Å; P88-A92 PolarHBondContact O-N 3.21Å; L89-A92 PolarHBondContact O-N 3.49Å; A92-H147 PolarHBondContact O-N 3.49Å; A92-I148 HydrophobicContact CB-CB 4.38Å; A92-I148 HydrophobicContact CB-CD1 4.19Å; A92-I148 WeakPolarHBondContact O-CB 3.25Å; A92-I148 PolarHBondContact O-N 3.03Å; A92-T190 HydrophobicContact CB-CG2 3.79Å
93F94.8Very high86.4Confident1 Ų125.8 Ų25.80%0.00413%0.133CC..Hα-helixtrans-89.2-19.2-177.7-75.7-101.9000114.6L89 E91 F146 I148 I207 L211 Y293 L296 F297 L300L89-F93 HydrophobicContact CD1-CD2 3.77Å; L89-F93 HydrophobicContact CD1-CE2 3.58Å; L89-F93 WeakPolarHBondContact O-CD2 3.45Å; L89-F93 PolarHBondContact O-N 3.13Å; E91-F93 VanDerWaalsContact C-N 3.31Å; E91-F93 PolarHBondContact O-N 3.38Å; F93-F146 WeakPolarHBondContact O-CD1 3.48Å; F93-I148 HydrophobicContact CD1-CG2 4.25Å; F93-I148 HydrophobicContact CD2-CB 4.39Å; F93-I148 HydrophobicContact CD2-CD1 4.32Å; F93-I148 HydrophobicContact CD2-CG1 4.23Å; F93-I148 HydrophobicContact CE1-CG1 4.17Å; F93-I148 HydrophobicContact CE1-CG2 4.47Å; F93-I148 HydrophobicContact CE2-CB 4.44Å; F93-I148 HydrophobicContact CE2-CD1 3.72Å; F93-I148 HydrophobicContact CE2-CG1 3.79Å; F93-I148 HydrophobicContact CG-CG2 4.42Å; F93-I148 HydrophobicContact CZ-CD1 4.06Å; F93-I148 HydrophobicContact CZ-CG1 3.76Å; F93-I207 HydrophobicContact CE1-CG2 4.11Å; F93-I207 HydrophobicContact CZ-CG2 3.75Å; F93-L211 HydrophobicContact CE1-CD1 3.79Å; F93-L211 HydrophobicContact CE1-CD2 4.25Å; F93-L211 HydrophobicContact CE1-CG 4.48Å; F93-L211 HydrophobicContact CZ-CD1 3.94Å; F93-Y293 WeakPolarHBondContact CA-OH 3.39Å; F93-Y293 HydrophobicContact CD1-CE2 4.49Å; F93-Y293 PolarHBondContact O-OH 2.96Å; F93-L296 HydrophobicContact CE1-CD2 4.2Å; F93-F297 HydrophobicContact CB-CD2 3.93Å; F93-F297 HydrophobicContact CB-CE2 4.22Å; F93-L300 HydrophobicContact CB-CD1 4.47Å; F93-L300 HydrophobicContact CD1-CD1 3.49Å; F93-L300 VanDerWaalsContact CD1-CD1 3.49Å; F93-L300 HydrophobicContact CD2-CD1 4.02Å; F93-L300 HydrophobicContact CE1-CD1 3.55Å; F93-L300 HydrophobicContact CE2-CD1 4.09Å; F93-L300 HydrophobicContact CG-CD1 3.74Å; F93-L300 HydrophobicContact CZ-CD1 3.85Å
94G92.1Very high86.4Confident0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-118.4-10.7-170.300000114.9M90 E91 R106 F107M90-G94 VanDerWaalsContact O-CA 3.26Å; M90-G94 WeakPolarHBondContact O-CA 3.39Å; M90-G94 PolarHBondContact O-N 3.27Å; E91-G94 PolarHBondContact O-N 2.96Å; G94-R106 WeakPolarHBondContact O-CA 3.26Å; G94-R106 WeakPolarHBondContact O-CB 3.46Å; G94-R106 PolarHBondContact O-N 2.82Å; G94-F107 VanDerWaalsContact CA-CD1 3.46Å; G94-F107 WeakPolarHBondContact O-CD1 3.49Å
95N90.6Very high86.6Confident0 Ų023.8 Ų23.80%012%0.124CC..EExtended strand (participates in β ladder)trans-109.3153179.6-61.816.1000112E91 N103 S104 S105 F146 H147E91-N95 HydrophobicContact CB-CB 4.44Å; E91-N95 WeakPolarHBondContact CG-ND2 3.34Å; E91-N95 WeakPolarHBondContact O-CA 3.45Å; E91-N95 WeakPolarHBondContact O-CB 3.49Å; E91-N95 PolarHBondContact O-N 3.48Å; N95-N103 WeakPolarHBondContact CB-OD1 3.39Å; N95-N103 PolarHBondContact ND2-OD1 3.12Å; N95-S104 VanDerWaalsContact CA-O 3.25Å; N95-S104 WeakPolarHBondContact CA-O 3.44Å; N95-S104 WeakPolarHBondContact CB-O 3.5Å; N95-S105 WeakPolarHBondContact OD1-CA 3.4Å; N95-F146 WeakPolarHBondContact O-CA 3.25Å; N95-H147 PolarHBondContact O-CD2 3.28Å; N95-H147 PolarHBondContact O-N 3.48Å; N95-H147 VanDerWaalsContact O-N 3.11Å
96A88.9Confident86.8Confident0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-145159.9178.200000111.5S104 R106A96-S104 PolarHBondContact N-O 2.77Å; A96-S104 WeakPolarHBondContact O-CB 3.46Å; A96-S104 PolarHBondContact O-N 3.15Å; A96-R106 HydrophobicContact CB-CG 3.95Å
97C86.4Confident86.9Confident14 Ų1422 Ų2210%0.09511%0.114CC..  trans-81.1119.5172.6-171.10000109.9N102 R144C97-N102 WeakPolarHBondContact CA-O 3.48Å; C97-R144 HydrophobicContact CB-CB 3.93Å; C97-R144 HydrophobicContact CB-CG 4.11Å; C97-R144 VanDerWaalsContact CB-NE 3.33Å; C97-R144 PolarHBondContact O-N 2.74Å
98T81.2Confident87Confident4 Ų421.8 Ų21.83%0.02511%0.113CC..  trans-111.3170.9173.7660000110R100 N101 E143T98-R100 PolarHBondContact O-N 3.23Å; T98-R100 VanDerWaalsContact O-N 3.13Å; T98-R100 PolarHBondContact OG1-N 2.94Å; T98-N101 PolarHBondContact N-O 3.48Å; T98-N101 PolarHBondContact O-N 2.98Å; T98-N101 PolarHBondContact OG1-N 3.41Å; T98-N101 PolarHBondContact OG1-O 2.93Å; T98-N101 VanDerWaalsContact OG1-O 3.06Å; T98-E143 WeakPolarHBondContact CA-OE1 3.42Å; T98-E143 WeakPolarHBondContact CB-OE1 3.35Å
99L78.5Confident87Confident122 Ų12221 Ų2164%0.63911%0.108SC*.SBendtrans-59.4-23.8175-69.5174.5000113.9N142 E143L99-N142 HydrophobicContact CD2-CB 3.91Å; L99-E143 HydrophobicContact CG-CG 4.33Å; L99-E143 PolarHBondContact N-OE1 3.31Å
100R73.3Confident87.1Confident76 Ų7620.9 Ų20.929%0.28711%0.107SC..SBendtrans-103.3-20-173.7-67.1-174.5175.3-153.4-1.5114.1T98 C329 K525T98-R100 PolarHBondContact O-N 3.23Å; T98-R100 VanDerWaalsContact O-N 3.13Å; T98-R100 PolarHBondContact OG1-N 2.94Å; R100-C329 PolarHBondContact NH2-O 3.4Å; R100-K525 PolarHBondContact O-NZ 3.45Å; R100-K525 VanDerWaalsContact O-NZ 3.16Å
101N78.8Confident87.2Confident41 Ų4120.9 Ų20.922%0.21911%0.107CC..  trans-157.7128.7-174.4179.610.2000110.5T98 N103 S104T98-N101 PolarHBondContact N-O 3.48Å; T98-N101 PolarHBondContact O-N 2.98Å; T98-N101 PolarHBondContact OG1-N 3.41Å; T98-N101 PolarHBondContact OG1-O 2.93Å; T98-N101 VanDerWaalsContact OG1-O 3.06Å; N101-N103 VanDerWaalsContact C-N 3.35Å; N101-N103 PolarHBondContact ND2-O 3.36Å; N101-N103 PolarHBondContact OD1-N 3.45Å; N101-S104 VanDerWaalsContact ND2-CA 3.32Å; N101-S104 WeakPolarHBondContact ND2-CA 3.14Å
102N83.1Confident87.3Confident87 Ų8721.4 Ų21.447%0.46511%0.11SC..THydrogen-bonded Turntrans-72.8-25.5-178.7-63.9-13.8000113.6C97 H147 I182C97-N102 WeakPolarHBondContact CA-O 3.48Å; N102-H147 PolarHBondContact O-CE1 3.08Å; N102-H147 VanDerWaalsContact O-CE1 3.22Å; N102-I182 HydrophobicContact CB-CD1 4Å
103N85.4Confident87.4Confident57 Ų5721.5 Ų21.531%0.30511%0.11SC..THydrogen-bonded Turntrans-12967.3177.6-174.820.3000109E91 N95 N101 H147E91-N103 PolarHBondContact OE2-ND2 3.32Å; N95-N103 WeakPolarHBondContact CB-OD1 3.39Å; N95-N103 PolarHBondContact ND2-OD1 3.12Å; N101-N103 VanDerWaalsContact C-N 3.35Å; N101-N103 PolarHBondContact ND2-O 3.36Å; N101-N103 PolarHBondContact OD1-N 3.45Å; N103-H147 PolarHBondContact OD1-NE2 3.09Å
104S84.6Confident87.3Confident4 Ų421.7 Ų21.73%0.02811%0.111CC..EExtended strand (participates in β ladder)trans-87.8122.2-177.8-167.60000111.1N95 A96 N101 R106N95-S104 VanDerWaalsContact CA-O 3.25Å; N95-S104 WeakPolarHBondContact CA-O 3.44Å; N95-S104 WeakPolarHBondContact CB-O 3.5Å; A96-S104 PolarHBondContact N-O 2.77Å; A96-S104 WeakPolarHBondContact O-CB 3.46Å; A96-S104 PolarHBondContact O-N 3.15Å; N101-S104 VanDerWaalsContact ND2-CA 3.32Å; N101-S104 WeakPolarHBondContact ND2-CA 3.14Å; S104-R106 WeakPolarHBondContact O-CG 3.36Å; S104-R106 PolarHBondContact O-N 3.47Å
105S87.8Confident87.1Confident13 Ų1321.8 Ų21.89%0.09111%0.112CC..EExtended strand (participates in β ladder)trans-58.3119.9168.9-47.90000110.6T50 N95 Y325T50-S105 PolarHBondContact OG1-OG 3.37Å; T50-S105 VanDerWaalsContact OG1-OG 3.13Å; N95-S105 WeakPolarHBondContact OD1-CA 3.4Å; S105-Y325 WeakPolarHBondContact O-CD1 3.33Å
106R88.8Confident87Confident1 Ų123.5 Ų23.50%0.00412%0.12CC..SBendtrans-109.320.8174.4-46.4-55.3-62.7170.82.6111.7G94 A96 S104 E132 F146 Y325 E328G94-R106 WeakPolarHBondContact O-CA 3.26Å; G94-R106 WeakPolarHBondContact O-CB 3.46Å; G94-R106 PolarHBondContact O-N 2.82Å; A96-R106 HydrophobicContact CB-CG 3.95Å; S104-R106 WeakPolarHBondContact O-CG 3.36Å; S104-R106 PolarHBondContact O-N 3.47Å; R106-E132 HydrophobicContact CB-CB 4.08Å; R106-E132 IonicContact CZ-OE1 3.42Å; R106-E132 IonicContact CZ-OE2 2.62Å; R106-E132 VanDerWaalsContact CZ-OE2 3.28Å; R106-E132 IonicContact NE-OE1 3.23Å; R106-E132 IonicContact NE-OE2 3.69Å; R106-E132 PolarHBondContact NE-OE2 3.4Å; R106-E132 VanDerWaalsContact NH2-CD 3.26Å; R106-E132 IonicContact NH2-OE1 3.28Å; R106-E132 PolarHBondContact NH2-OE1 3.13Å; R106-E132 IonicContact NH2-OE2 3.53Å; R106-E132 PolarHBondContact NH2-OE2 2.86Å; R106-E132 VanDerWaalsContact NH2-OE2 3.16Å; R106-E132 PolarHBondContact O-N 2.92Å; R106-F146 HydrophobicContact CB-CE1 4.02Å; R106-F146 HydrophobicContact CG-CE1 4.41Å; R106-Y325 WeakPolarHBondContact O-CE1 3.45Å; R106-E328 IonicContact CZ-OE1 3.48Å; R106-E328 IonicContact CZ-OE2 3.16Å; R106-E328 IonicContact NH1-OE1 3.9Å; R106-E328 PolarHBondContact NH1-OE1 3.37Å; R106-E328 IonicContact NH1-OE2 2.71Å; R106-E328 PolarHBondContact NH1-OE2 2.81Å; R106-E328 IonicContact NH2-OE2 3.75Å; R106-E328 PolarHBondContact NH2-OE2 3.49Å; R106-E328 VanDerWaalsContact NH2-OE2 3.08Å
107F89.6Confident86.7Confident2 Ų232.3 Ų32.31%0.00915%0.154CC..SBendtrans-138.5153.9162.971.5-71.2000109.3M90 G94 K109 T128 L131 F297 Y325M90-F107 HydrophobicContact CB-CE2 4.47Å; M90-F107 HydrophobicContact CB-CZ 3.79Å; M90-F107 WeakPolarHBondContact O-CE1 3.5Å; M90-F107 HydrophobicContact SD-CE2 4.33Å; M90-F107 HydrophobicContact SD-CZ 4.47Å; G94-F107 VanDerWaalsContact CA-CD1 3.46Å; G94-F107 WeakPolarHBondContact O-CD1 3.49Å; F107-K109 HydrophobicContact CD2-CB 4.29Å; F107-K109 HydrophobicContact CE2-CB 3.8Å; F107-K109 HydrophobicContact CE2-CD 4.16Å; F107-K109 HydrophobicContact CE2-CG 4.43Å; F107-K109 HydrophobicContact CZ-CD 4.24Å; F107-T128 HydrophobicContact CD2-CG2 3.76Å; F107-T128 HydrophobicContact CE2-CG2 3.96Å; F107-L131 HydrophobicContact CB-CD1 4.08Å; F107-F297 HydrophobicContact CB-CE1 4.45Å; F107-F297 HydrophobicContact CB-CZ 4.25Å; F107-F297 HydrophobicContact CD1-CZ 4.06Å; F107-F297 HydrophobicContact CD2-CE1 4.3Å; F107-F297 AromaticContact CD2-CZ 3.72Å; F107-F297 HydrophobicContact CD2-CZ 3.72Å; F107-F297 HydrophobicContact CE1-CZ 4.39Å; F107-F297 HydrophobicContact CE2-CZ 4.03Å; F107-F297 HydrophobicContact CG-CE1 4.34Å; F107-F297 AromaticContact CG-CZ 3.73Å; F107-F297 HydrophobicContact CG-CZ 3.73Å; F107-F297 HydrophobicContact CZ-CZ 4.38Å; F107-Y325 VanDerWaalsContact C-CE1 3.45Å; F107-Y325 VanDerWaalsContact C-OH 3.26Å; F107-Y325 VanDerWaalsContact CA-CE1 3.4Å; F107-Y325 WeakPolarHBondContact CA-OH 3.36Å
108G88.7Confident86.5Confident0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-93.6142.3171.600000109.2T128 Y129 Y325G108-T128 CarbonylContact O-C 3.6Å; G108-T128 VanDerWaalsContact O-CA 3.24Å; G108-T128 WeakPolarHBondContact O-CA 3.5Å; G108-Y129 PolarHBondContact N-O 3.47Å; G108-Y129 PolarHBondContact O-N 2.97Å; G108-Y325 PolarHBondContact N-OH 2.85Å
109K89.8Confident86.6Confident3 Ų335.4 Ų35.41%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-132.1135.6-179.867.6-176.1-179.5-179.10112.7N87 F107 I111 Q127 D323N87-K109 PolarHBondContact OD1-NZ 3.48Å; F107-K109 HydrophobicContact CD2-CB 4.29Å; F107-K109 HydrophobicContact CE2-CB 3.8Å; F107-K109 HydrophobicContact CE2-CD 4.16Å; F107-K109 HydrophobicContact CE2-CG 4.43Å; F107-K109 HydrophobicContact CZ-CD 4.24Å; K109-I111 HydrophobicContact CD-CD1 4.16Å; K109-Q127 CarbonylContact C-O 3.59Å; K109-Q127 WeakPolarHBondContact CA-O 3.4Å; K109-D323 HydrophobicContact CD-CB 4.42Å; K109-D323 WeakPolarHBondContact CE-OD2 3.43Å; K109-D323 HydrophobicContact CG-CB 3.78Å; K109-D323 PolarHBondContact N-O 3.32Å; K109-D323 IonicContact NZ-OD2 3.1Å; K109-D323 CarbonylContact O-C 3.46Å; K109-D323 PolarHBondContact O-N 3.43Å
110Y92.6Very high86.9Confident0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-117.6116.4169.2178-102.2000108.6Q112 V126 Q127 F318 G320 L322 L509 L512 L513Y110-Q112 HydrophobicContact CE1-CB 4.1Å; Y110-V126 WeakPolarHBondContact O-CA 3.4Å; Y110-Q127 PolarHBondContact N-O 3.05Å; Y110-Q127 PolarHBondContact O-N 3.06Å; Y110-F318 VanDerWaalsContact OH-CE2 3.31Å; Y110-F318 WeakPolarHBondContact OH-CE2 3.44Å; Y110-G320 VanDerWaalsContact OH-CA 3.26Å; Y110-G320 WeakPolarHBondContact OH-CA 3.39Å; Y110-L322 HydrophobicContact CD2-CB 4.01Å; Y110-L322 HydrophobicContact CD2-CD1 3.96Å; Y110-L322 HydrophobicContact CG-CD1 4.45Å; Y110-L509 HydrophobicContact CD2-CD1 3.97Å; Y110-L509 HydrophobicContact CE2-CD1 4.48Å; Y110-L509 HydrophobicContact CG-CD1 4.07Å; Y110-L512 HydrophobicContact CE1-CD1 4.32Å; Y110-L512 HydrophobicContact CE1-CD2 3.74Å; Y110-L512 HydrophobicContact CE2-CD2 4.15Å; Y110-L512 VanDerWaalsContact CZ-CD2 3.41Å; Y110-L512 WeakPolarHBondContact OH-CD2 3.24Å; Y110-L513 HydrophobicContact CE2-CD2 4.47Å
111I92.9Very high87.7Confident3 Ų328.8 Ų28.82%0.01515%0.149CC..EExtended strand (participates in β ladder)trans-107.3114.9-177.5-55.1178.3000108.2M57 K109 L113 S125 V126 G320 V321M57-I111 HydrophobicContact CE-CD1 4.05Å; M57-I111 HydrophobicContact SD-CD1 3.4Å; M57-I111 WeakPolarHBondContact SD-CD1 3.45Å; M57-I111 HydrophobicContact SD-CG2 4.38Å; K109-I111 HydrophobicContact CD-CD1 4.16Å; I111-L113 HydrophobicContact CG2-CD2 4.13Å; I111-S125 CarbonylContact C-O 3.53Å; I111-S125 WeakPolarHBondContact CA-O 3.15Å; I111-V126 HydrophobicContact CG1-CG1 4.47Å; I111-V126 HydrophobicContact CG1-CG2 4.21Å; I111-V126 HydrophobicContact CG2-CG2 4.43Å; I111-G320 CarbonylContact O-C 3.59Å; I111-G320 WeakPolarHBondContact O-CA 3.41Å; I111-V321 PolarHBondContact N-O 3.09Å; I111-V321 PolarHBondContact O-N 3.27Å
112Q93.7Very high88.1Confident20 Ų2028.5 Ų28.59%0.09315%0.148CC..EExtended strand (participates in β ladder)trans-96.3109.2177-177.2-177.8-2.900109.6Y110 A124 S125 F318Y110-Q112 HydrophobicContact CE1-CB 4.1Å; Q112-A124 CarbonylContact O-C 3.59Å; Q112-A124 WeakPolarHBondContact O-CA 3.42Å; Q112-S125 PolarHBondContact N-O 3.14Å; Q112-S125 PolarHBondContact O-N 3.1Å; Q112-F318 HydrophobicContact CG-CB 3.57Å; Q112-F318 HydrophobicContact CG-CD1 4.37Å; Q112-F318 HydrophobicContact CG-CD2 3.57Å; Q112-F318 HydrophobicContact CG-CE2 4.33Å; Q112-F318 HydrophobicContact CG-CG 3.59Å
113L93.1Very high88.5Confident4 Ų424.4 Ų24.42%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-85.3120.2174.1-58.3176.5000109.5Y60 V83 I111 L121 A124 F318 I319 V321Y60-L113 HydrophobicContact CD2-CD1 3.52Å; Y60-L113 HydrophobicContact CE2-CD1 4.4Å; Y60-L113 HydrophobicContact CG-CD1 3.87Å; V83-L113 HydrophobicContact CG1-CD2 4.01Å; I111-L113 HydrophobicContact CG2-CD2 4.13Å; L113-L121 HydrophobicContact CB-CD1 3.93Å; L113-L121 HydrophobicContact CD2-CD1 4.32Å; L113-A124 HydrophobicContact CD2-CB 4.11Å; L113-F318 CarbonylContact O-C 3.41Å; L113-F318 WeakPolarHBondContact O-CA 3.24Å; L113-F318 VanDerWaalsContact O-CB 3.24Å; L113-F318 WeakPolarHBondContact O-CB 3.45Å; L113-I319 WeakPolarHBondContact CB-O 3.5Å; L113-I319 PolarHBondContact N-O 3.47Å; L113-I319 PolarHBondContact O-N 2.62Å; L113-V321 HydrophobicContact CD1-CG2 4.48Å
114Q92.7Very high88.8Confident4 Ų421.7 Ų21.72%0.01911%0.112CC..EExtended strand (participates in β ladder)trans-96.7125.2-172.4-62.2167-14.400110.9V122 G123 C309 W315Q114-V122 HydrophobicContact CB-CG2 4.42Å; Q114-V122 WeakPolarHBondContact O-CG2 3.29Å; Q114-V122 PolarHBondContact O-N 3.21Å; Q114-G123 WeakPolarHBondContact CB-O 3.45Å; Q114-G123 PolarHBondContact N-O 3.32Å; Q114-C309 PolarHBondContact NE2-SG 2.88Å; Q114-C309 VanDerWaalsContact NE2-SG 3.43Å; Q114-W315 HydrophobicContact CB-CB 3.93Å; Q114-W315 HydrophobicContact CB-CD2 4.18Å; Q114-W315 HydrophobicContact CB-CG 3.89Å; Q114-W315 HydrophobicContact CG-CD2 4.12Å; Q114-W315 HydrophobicContact CG-CG 4.2Å
115L89.8Confident89.2Confident3 Ų322.4 Ų22.42%0.01612%0.117CC..EExtended strand (participates in β ladder)trans-113.1138.7-175.6-58.3174.9000111.4V28 A64 L120 L121 W315 R316 N317 I319V28-L115 HydrophobicContact CG1-CD1 4.23Å; V28-L115 HydrophobicContact CG2-CD1 4.41Å; A64-L115 HydrophobicContact CB-CD2 4.26Å; L115-L120 WeakPolarHBondContact CA-O 3.13Å; L115-L121 HydrophobicContact CD2-CB 4.46Å; L115-L121 HydrophobicContact CD2-CD1 4.34Å; L115-W315 WeakPolarHBondContact O-CA 3.25Å; L115-W315 WeakPolarHBondContact O-CB 3.47Å; L115-R316 PolarHBondContact O-N 2.81Å; L115-N317 PolarHBondContact N-O 3.17Å; L115-N317 PolarHBondContact O-N 2.94Å; L115-I319 HydrophobicContact CD1-CD1 3.9Å; L115-I319 HydrophobicContact CD1-CG1 3.96Å
116D87.9Confident89.4Confident35 Ų3522 Ų2219%0.18711%0.114CC..  trans-81.3-173.2175.178.1-2.1000113.1A118 Q119 L120 V122 K314D116-A118 PolarHBondContact O-N 3.41Å; D116-A118 VanDerWaalsContact OD1-C 3.25Å; D116-A118 VanDerWaalsContact OD1-CA 3.26Å; D116-A118 WeakPolarHBondContact OD1-CA 3.39Å; D116-A118 WeakPolarHBondContact OD1-CB 3.12Å; D116-A118 PolarHBondContact OD1-N 3.45Å; D116-Q119 PolarHBondContact O-N 2.83Å; D116-Q119 PolarHBondContact OD1-N 3.23Å; D116-L120 PolarHBondContact N-O 3.45Å; D116-L120 PolarHBondContact OD1-N 3.37Å; D116-V122 HydrophobicContact CB-CG1 3.68Å; D116-V122 HydrophobicContact CB-CG2 4.29Å; D116-K314 WeakPolarHBondContact CB-O 3.39Å
117R82.8Confident89.5Confident185 Ų18525.6 Ų25.670%0.69813%0.13SC*.THydrogen-bonded Turntrans-64.9-26.7177.6-61.7-172.9-173.8-1732.1113.3R316R117-R316 HydrophobicContact CG-CG 4.12Å; R117-R316 VanDerWaalsContact NE-CZ 3.32Å; R117-R316 VanDerWaalsContact NH2-NH2 3.16Å
118A81.3Confident89.6Confident66 Ų6627.5 Ų27.555%0.54514%0.143SC..THydrogen-bonded Turntrans-86.63.3176.100000112.2D116 L120D116-A118 PolarHBondContact O-N 3.41Å; D116-A118 VanDerWaalsContact OD1-C 3.25Å; D116-A118 VanDerWaalsContact OD1-CA 3.26Å; D116-A118 WeakPolarHBondContact OD1-CA 3.39Å; D116-A118 WeakPolarHBondContact OD1-CB 3.12Å; D116-A118 PolarHBondContact OD1-N 3.45Å; A118-L120 HydrophobicContact CB-CD1 4.2Å; A118-L120 HydrophobicContact CB-CG 4.16Å; A118-L120 PolarHBondContact O-N 2.99Å
119Q82.7Confident89.4Confident18 Ų1828.5 Ų28.58%0.08415%0.147CC..  trans65.123.9-175.9-53.9-59.2-3700113.7Y25 Q29 D116Y25-Q119 PolarHBondContact OH-O 2.79Å; Q29-Q119 HydrophobicContact CB-CG 4.39Å; Q29-Q119 HydrophobicContact CG-CG 4.41Å; D116-Q119 PolarHBondContact O-N 2.83Å; D116-Q119 PolarHBondContact OD1-N 3.23Å
120L86.9Confident89.1Confident47 Ų4730.6 Ų30.625%0.24616%0.158CC..  trans-88.7147.5174.9-61.4174.8000110.5A64 L115 D116 A118 V122A64-L120 WeakPolarHBondContact O-CA 3.23Å; A64-L120 WeakPolarHBondContact O-CD2 3.34Å; L115-L120 WeakPolarHBondContact CA-O 3.13Å; D116-L120 PolarHBondContact N-O 3.45Å; D116-L120 PolarHBondContact OD1-N 3.37Å; A118-L120 HydrophobicContact CB-CD1 4.2Å; A118-L120 HydrophobicContact CB-CG 4.16Å; A118-L120 PolarHBondContact O-N 2.99Å; L120-V122 PolarHBondContact O-N 2.84Å
121L88.2Confident89Confident12 Ų1231.5 Ų31.56%0.06316%0.162CC..EExtended strand (participates in β ladder)trans-70.7115.4176.9-173.767.7000109.8A64 E80 L113 L115 G123A64-L121 HydrophobicContact CB-CB 3.98Å; A64-L121 PolarHBondContact O-N 3.36Å; E80-L121 HydrophobicContact CG-CD2 4.18Å; L113-L121 HydrophobicContact CB-CD1 3.93Å; L113-L121 HydrophobicContact CD2-CD1 4.32Å; L115-L121 HydrophobicContact CD2-CB 4.46Å; L115-L121 HydrophobicContact CD2-CD1 4.34Å; L121-G123 WeakPolarHBondContact CD1-O 3.33Å
122V88.3Confident88.7Confident35 Ų3532.2 Ų32.221%0.21217%0.165CC..EExtended strand (participates in β ladder)trans-111.7-13.9-179.8-69.90000113.9I79 Q114 D116 L120 A310 W315I79-V122 WeakPolarHBondContact CD1-O 3.46Å; Q114-V122 HydrophobicContact CB-CG2 4.42Å; Q114-V122 WeakPolarHBondContact O-CG2 3.29Å; Q114-V122 PolarHBondContact O-N 3.21Å; D116-V122 HydrophobicContact CB-CG1 3.68Å; D116-V122 HydrophobicContact CB-CG2 4.29Å; L120-V122 PolarHBondContact O-N 2.84Å; V122-A310 HydrophobicContact CB-CB 4.49Å; V122-A310 HydrophobicContact CG2-CB 4.23Å; V122-W315 HydrophobicContact CG2-CB 3.79Å
123G90.3Very high88.4Confident0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-178.8179.7178.800000112.4Q114 L121 I308Q114-G123 WeakPolarHBondContact CB-O 3.45Å; Q114-G123 PolarHBondContact N-O 3.32Å; L121-G123 WeakPolarHBondContact CD1-O 3.33Å; G123-I308 CarbonylContact C-O 3.51Å; G123-I308 WeakPolarHBondContact CA-O 3.36Å
124A92.3Very high88.1Confident0 Ų035.2 Ų35.20%018%0.181CC..EExtended strand (participates in β ladder)trans-146.6166.1172.900000111.3V83 Q112 L113 I308 C309V83-A124 HydrophobicContact CG1-CB 4.32Å; V83-A124 HydrophobicContact CG2-CB 3.57Å; Q112-A124 CarbonylContact O-C 3.59Å; Q112-A124 WeakPolarHBondContact O-CA 3.42Å; L113-A124 HydrophobicContact CD2-CB 4.11Å; A124-I308 HydrophobicContact CB-CD1 4.05Å; A124-I308 HydrophobicContact CB-CG1 4.44Å; A124-I308 PolarHBondContact N-O 3.06Å; A124-I308 CarbonylContact O-C 3.58Å; A124-I308 WeakPolarHBondContact O-CG1 3.31Å; A124-C309 WeakPolarHBondContact O-CA 3.48Å; A124-C309 PolarHBondContact O-N 3Å
125S93.1Very high88Confident20 Ų2035.2 Ų35.214%0.1418%0.181CC..EExtended strand (participates in β ladder)trans-141141171.51760000109.5I111 Q112I111-S125 CarbonylContact C-O 3.53Å; I111-S125 WeakPolarHBondContact CA-O 3.15Å; Q112-S125 PolarHBondContact N-O 3.14Å; Q112-S125 PolarHBondContact O-N 3.1Å
126V92.2Very high88.1Confident3 Ų335 Ų352%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-117.5123-179.7-177.30000109.4M90 Y110 I111 T128 N305 I308M90-V126 HydrophobicContact CE-CG1 4.4Å; M90-V126 HydrophobicContact CE-CG2 4.43Å; M90-V126 HydrophobicContact SD-CG1 3.78Å; Y110-V126 WeakPolarHBondContact O-CA 3.4Å; I111-V126 HydrophobicContact CG1-CG1 4.47Å; I111-V126 HydrophobicContact CG1-CG2 4.21Å; I111-V126 HydrophobicContact CG2-CG2 4.43Å; V126-T128 HydrophobicContact CG1-CG2 4.27Å; V126-N305 PolarHBondContact N-OD1 3.38Å; V126-N305 PolarHBondContact O-ND2 3.23Å; V126-I308 HydrophobicContact CG2-CD1 3.96Å
127Q91.3Very high88.2Confident77 Ų7733.8 Ų33.836%0.3618%0.175SC..EExtended strand (participates in β ladder)trans-109.8128.2171-63.4-177.4-3.200109.2K109 Y110 Y129K109-Q127 CarbonylContact C-O 3.59Å; K109-Q127 WeakPolarHBondContact CA-O 3.4Å; Y110-Q127 PolarHBondContact N-O 3.05Å; Y110-Q127 PolarHBondContact O-N 3.06Å; Q127-Y129 HydrophobicContact CB-CE2 4.36Å; Q127-Y129 PolarHBondContact OE1-OH 2.96Å
128T90.8Very high88.3Confident43 Ų4329.1 Ų29.126%0.26417%0.169SC..EExtended strand (participates in β ladder)trans-108.1145179.857.80000112.2F107 G108 V126 F297 V301F107-T128 HydrophobicContact CD2-CG2 3.76Å; F107-T128 HydrophobicContact CE2-CG2 3.96Å; G108-T128 CarbonylContact O-C 3.6Å; G108-T128 VanDerWaalsContact O-CA 3.24Å; G108-T128 WeakPolarHBondContact O-CA 3.5Å; V126-T128 HydrophobicContact CG1-CG2 4.27Å; T128-F297 HydrophobicContact CG2-CE1 4.08Å; T128-F297 HydrophobicContact CG2-CZ 4.28Å; T128-V301 HydrophobicContact CG2-CB 4.48Å; T128-V301 HydrophobicContact CG2-CG1 4.01Å; T128-V301 HydrophobicContact CG2-CG2 3.61Å
129Y85.9Confident88.5Confident21 Ų2127.5 Ų27.58%0.08215%0.15CC..EExtended strand (participates in β ladder)trans-126.8123.2-178.6-53.3-80.6000110.9G108 Q127 Y325 L509G108-Y129 PolarHBondContact N-O 3.47Å; G108-Y129 PolarHBondContact O-N 2.97Å; Q127-Y129 HydrophobicContact CB-CE2 4.36Å; Q127-Y129 PolarHBondContact OE1-OH 2.96Å; Y129-Y325 PolarHBondContact O-OH 3.5Å; Y129-L509 HydrophobicContact CE1-CB 4.25Å; Y129-L509 HydrophobicContact CE2-CD1 4.45Å; Y129-L509 HydrophobicContact CE2-CD2 4.05Å
130L83.4Confident88.4Confident47 Ų4729.7 Ų29.725%0.24617%0.166CC..  trans54.762.3167.7-166.171.5000117.7E132 Y325 C339 V498 F502L130-E132 PolarHBondContact O-N 3.18Å; L130-Y325 PolarHBondContact O-OH 3.47Å; L130-C339 HydrophobicContact CD2-CB 3.42Å; L130-C339 VanDerWaalsContact CD2-CB 3.42Å; L130-V498 HydrophobicContact CD1-CG1 4.05Å; L130-F502 HydrophobicContact CB-CD2 3.6Å; L130-F502 HydrophobicContact CB-CE2 3.53Å; L130-F502 HydrophobicContact CB-CZ 4.46Å; L130-F502 HydrophobicContact CD1-CB 4.46Å; L130-F502 HydrophobicContact CD1-CD2 4.13Å; L130-F502 HydrophobicContact CD1-CG 4.38Å; L130-F502 HydrophobicContact CD2-CD1 4.46Å; L130-F502 HydrophobicContact CD2-CD2 3.93Å; L130-F502 HydrophobicContact CD2-CE1 4.34Å; L130-F502 HydrophobicContact CD2-CE2 3.78Å; L130-F502 HydrophobicContact CD2-CG 4.24Å; L130-F502 HydrophobicContact CD2-CZ 3.97Å; L130-F502 HydrophobicContact CG-CD2 4.1Å; L130-F502 HydrophobicContact CG-CE2 4.2Å
131L89.7Confident88Confident19 Ų1931.3 Ų31.310%0.09919%0.186CC..  trans-53.2131.5170.3-178.169.1000112F107 K133 F146 Y293 F297F107-L131 HydrophobicContact CB-CD1 4.08Å; L131-K133 HydrophobicContact CB-CG 4.28Å; L131-K133 HydrophobicContact CD2-CG 3.98Å; L131-K133 HydrophobicContact CG-CG 4.15Å; L131-K133 PolarHBondContact O-N 3.44Å; L131-F146 HydrophobicContact CD1-CE1 3.94Å; L131-F146 HydrophobicContact CD1-CZ 3.79Å; L131-F146 HydrophobicContact CG-CZ 4.34Å; L131-Y293 HydrophobicContact CD2-CD1 4.08Å; L131-Y293 HydrophobicContact CD2-CE1 4.09Å; L131-F297 HydrophobicContact CB-CD1 4.36Å; L131-F297 HydrophobicContact CB-CE1 4.48Å; L131-F297 HydrophobicContact CD1-CD1 4.45Å; L131-F297 HydrophobicContact CD1-CE1 4.39Å; L131-F297 HydrophobicContact CD1-CZ 4.43Å; L131-F297 HydrophobicContact CD2-CB 3.77Å; L131-F297 HydrophobicContact CD2-CD1 3.81Å; L131-F297 HydrophobicContact CD2-CD2 4.39Å; L131-F297 HydrophobicContact CD2-CG 3.73Å; L131-F297 HydrophobicContact CG-CD1 4.45Å
132E86.7Confident87.6Confident17 Ų1735.6 Ų35.68%0.07921%0.209CC..  trans-71.866.4174.2-167.5-172.2-14400111.3R106 L130 T134 R135 E336R106-E132 HydrophobicContact CB-CB 4.08Å; R106-E132 IonicContact CZ-OE1 3.42Å; R106-E132 IonicContact CZ-OE2 2.62Å; R106-E132 VanDerWaalsContact CZ-OE2 3.28Å; R106-E132 IonicContact NE-OE1 3.23Å; R106-E132 IonicContact NE-OE2 3.69Å; R106-E132 PolarHBondContact NE-OE2 3.4Å; R106-E132 VanDerWaalsContact NH2-CD 3.26Å; R106-E132 IonicContact NH2-OE1 3.28Å; R106-E132 PolarHBondContact NH2-OE1 3.13Å; R106-E132 IonicContact NH2-OE2 3.53Å; R106-E132 PolarHBondContact NH2-OE2 2.86Å; R106-E132 VanDerWaalsContact NH2-OE2 3.16Å; R106-E132 PolarHBondContact O-N 2.92Å; L130-E132 PolarHBondContact O-N 3.18Å; E132-T134 PolarHBondContact O-N 3.13Å; E132-T134 VanDerWaalsContact O-N 3.08Å; E132-R135 HydrophobicContact CG-CB 4.35Å; E132-R135 WeakPolarHBondContact O-CB 3.41Å; E132-R135 PolarHBondContact O-N 3.47Å; E132-R135 VanDerWaalsContact O-N 3.09Å; E132-R135 IonicContact OE1-NH2 3.37Å; E132-R135 IonicContact OE2-CZ 3.81Å; E132-R135 IonicContact OE2-NE 2.83Å; E132-R135 PolarHBondContact OE2-NE 3.25Å; E132-R135 IonicContact OE2-NH2 3.75Å; E132-R135 PolarHBondContact OE2-NH2 3.37Å; E132-R135 VanDerWaalsContact OE2-NH2 3.16Å; E132-E336 HydrophobicContact CG-CG 4.33Å
133K87.8Confident87.5Confident53 Ų5334.1 Ų34.123%0.2320%0.2CC..G310 helixtrans-56.4-29.4-175.7-64.4176.8-173.7-172.60112.3L131 R135 V136 K290 E298L131-K133 HydrophobicContact CB-CG 4.28Å; L131-K133 HydrophobicContact CD2-CG 3.98Å; L131-K133 HydrophobicContact CG-CG 4.15Å; L131-K133 PolarHBondContact O-N 3.44Å; K133-R135 PolarHBondContact O-N 2.81Å; K133-V136 WeakPolarHBondContact O-CB 3.37Å; K133-V136 WeakPolarHBondContact O-CG2 3.08Å; K133-V136 PolarHBondContact O-N 2.75Å; K133-V136 VanDerWaalsContact O-N 3.14Å; K133-K290 HydrophobicContact CB-CB 4.41Å; K133-K290 WeakPolarHBondContact O-CG 3.48Å; K133-E298 IonicContact NZ-OE1 2.86Å; K133-E298 PolarHBondContact NZ-OE1 3.35Å
134T86.4Confident87.4Confident34 Ų3434.7 Ų34.721%0.20920%0.202CC..G310 helixtrans-60-28.3179.947.90000113.4E132 V136 A137 C138 E336E132-T134 PolarHBondContact O-N 3.13Å; E132-T134 VanDerWaalsContact O-N 3.08Å; T134-V136 PolarHBondContact O-N 3.41Å; T134-A137 PolarHBondContact O-N 3.44Å; T134-C138 PolarHBondContact O-N 2.82Å; T134-E336 WeakPolarHBondContact CB-OE1 3.29Å; T134-E336 WeakPolarHBondContact CG2-OE1 3.29Å; T134-E336 PolarHBondContact OG1-OE1 2.91Å
135R90.1Very high87.4Confident4 Ų434.7 Ų34.72%0.01520%0.202CC..G310 helixtrans-60.5-24.6176.7-174.9168.6-66.5-86.5-5.7113.9E132 K133 A137 C138 Q139 E143 R144 N145 F146E132-R135 HydrophobicContact CG-CB 4.35Å; E132-R135 WeakPolarHBondContact O-CB 3.41Å; E132-R135 PolarHBondContact O-N 3.47Å; E132-R135 VanDerWaalsContact O-N 3.09Å; E132-R135 IonicContact OE1-NH2 3.37Å; E132-R135 IonicContact OE2-CZ 3.81Å; E132-R135 IonicContact OE2-NE 2.83Å; E132-R135 PolarHBondContact OE2-NE 3.25Å; E132-R135 IonicContact OE2-NH2 3.75Å; E132-R135 PolarHBondContact OE2-NH2 3.37Å; E132-R135 VanDerWaalsContact OE2-NH2 3.16Å; K133-R135 PolarHBondContact O-N 2.81Å; R135-A137 VanDerWaalsContact C-N 3.29Å; R135-A137 PolarHBondContact O-N 3.24Å; R135-C138 WeakPolarHBondContact CA-O 3.27Å; R135-Q139 HydrophobicContact CG-CG 4.31Å; R135-Q139 PolarHBondContact O-NE2 3.41Å; R135-E143 IonicContact CZ-OE2 3.43Å; R135-E143 VanDerWaalsContact CZ-OE2 3.27Å; R135-E143 IonicContact NH1-OE2 3.49Å; R135-E143 PolarHBondContact NH1-OE2 3.15Å; R135-E143 IonicContact NH2-OE2 2.82Å; R135-E143 PolarHBondContact NH2-OE2 3.46Å; R135-R144 PolarHBondContact NH1-O 2.9Å; R135-N145 PolarHBondContact O-OD1 3.16Å; R135-F146 HydrophobicContact CB-CE2 4.13Å; R135-F146 HydrophobicContact CB-CZ 4.34Å; R135-F146 HydrophobicContact CG-CE2 4.49Å
136V92.6Very high87.5Confident0 Ų033.7 Ų33.70%020%0.196CC..G310 helixtrans-59.7-41.9178.4178.50000111.3K133 T134 Q139 N145 F146 F149 I214 A289 Y293K133-V136 WeakPolarHBondContact O-CB 3.37Å; K133-V136 WeakPolarHBondContact O-CG2 3.08Å; K133-V136 PolarHBondContact O-N 2.75Å; K133-V136 VanDerWaalsContact O-N 3.14Å; T134-V136 PolarHBondContact O-N 3.41Å; V136-Q139 PolarHBondContact O-NE2 3.19Å; V136-N145 PolarHBondContact O-ND2 3.46Å; V136-F146 HydrophobicContact CG2-CD2 4.11Å; V136-F146 HydrophobicContact CG2-CE2 3.78Å; V136-F149 HydrophobicContact CG1-CZ 4.43Å; V136-I214 HydrophobicContact CG1-CG2 3.83Å; V136-A289 HydrophobicContact CG1-CB 4.2Å; V136-Y293 HydrophobicContact CG2-CD1 3.53Å; V136-Y293 HydrophobicContact CG2-CD2 4.19Å; V136-Y293 HydrophobicContact CG2-CE1 4.13Å; V136-Y293 HydrophobicContact CG2-CG 3.56Å
137A89.7Confident87.5Confident9 Ų934.6 Ų34.67%0.07420%0.2CC..THydrogen-bonded Turntrans-107.2-17.4-174.200000114T134 R135 W174 D286T134-A137 PolarHBondContact O-N 3.44Å; R135-A137 VanDerWaalsContact C-N 3.29Å; R135-A137 PolarHBondContact O-N 3.24Å; A137-W174 HydrophobicContact CB-CD2 4.43Å; A137-W174 HydrophobicContact CB-CH2 4.44Å; A137-W174 HydrophobicContact CB-CZ2 3.85Å; A137-W174 VanDerWaalsContact O-CD1 3.24Å; A137-W174 PolarHBondContact O-NE1 3.08Å; A137-W174 VanDerWaalsContact O-NE1 3.1Å; A137-D286 HydrophobicContact CB-CB 3.8Å
138C84.8Confident87.6Confident86 Ų8631 Ų3158%0.58118%0.182SC*.  trans-146.1118.3-178-176.50000110.8T134 R135T134-C138 PolarHBondContact O-N 2.82Å; R135-C138 WeakPolarHBondContact CA-O 3.27Å
139Q86.2Confident87.7Confident32 Ų3228.9 Ų28.915%0.1517%0.17CC..  trans-110.7141.7177.8-52.579.424.200110.2R135 V136 N145 W174 P176R135-Q139 HydrophobicContact CG-CG 4.31Å; R135-Q139 PolarHBondContact O-NE2 3.41Å; V136-Q139 PolarHBondContact O-NE2 3.19Å; Q139-N145 HydrophobicContact CG-CB 4.21Å; Q139-N145 PolarHBondContact NE2-ND2 3.17Å; Q139-W174 PolarHBondContact NE2-O 2.98Å; Q139-P176 HydrophobicContact CB-CG 4.33Å; Q139-P176 HydrophobicContact CG-CG 4.36Å
140P79.7Confident87.9Confident64 Ų6428.3 Ų28.342%0.41617%0.168SC..  trans-60.4156170.6-22.734.2000112.2N142 E143P140-N142 PolarHBondContact O-N 3.05Å; P140-E143 HydrophobicContact CB-CB 4.38Å; P140-E143 HydrophobicContact CB-CG 4Å; P140-E143 WeakPolarHBondContact CD-OE2 3.16Å; P140-E143 HydrophobicContact CG-CG 4.42Å; P140-E143 WeakPolarHBondContact CG-OE2 3.43Å; P140-E143 WeakPolarHBondContact O-CB 3.49Å; P140-E143 PolarHBondContact O-N 2.65Å
141A79.4Confident88.2Confident82 Ų8227.4 Ų27.468%0.67816%0.162SC*.THydrogen-bonded Turntrans-55.4134.4178.400000111.1E143A141-E143 PolarHBondContact O-N 3.19Å
142N79.6Confident88.3Confident102 Ų10226.5 Ų26.555%0.54516%0.157SC..THydrogen-bonded Turntrans649.1-176.8-63.2-54.2000116.4L99 P140L99-N142 HydrophobicContact CD2-CB 3.91Å; P140-N142 PolarHBondContact O-N 3.05Å
143E86.3Confident88.3Confident4 Ų427.1 Ų27.12%0.01916%0.161CC..  trans-97.1174.2168.9-60.6-160.5161.100111.9T98 L99 R135 P140 A141 N177T98-E143 WeakPolarHBondContact CA-OE1 3.42Å; T98-E143 WeakPolarHBondContact CB-OE1 3.35Å; L99-E143 HydrophobicContact CG-CG 4.33Å; L99-E143 PolarHBondContact N-OE1 3.31Å; R135-E143 IonicContact CZ-OE2 3.43Å; R135-E143 VanDerWaalsContact CZ-OE2 3.27Å; R135-E143 IonicContact NH1-OE2 3.49Å; R135-E143 PolarHBondContact NH1-OE2 3.15Å; R135-E143 IonicContact NH2-OE2 2.82Å; R135-E143 PolarHBondContact NH2-OE2 3.46Å; P140-E143 HydrophobicContact CB-CB 4.38Å; P140-E143 HydrophobicContact CB-CG 4Å; P140-E143 WeakPolarHBondContact CD-OE2 3.16Å; P140-E143 HydrophobicContact CG-CG 4.42Å; P140-E143 WeakPolarHBondContact CG-OE2 3.43Å; P140-E143 WeakPolarHBondContact O-CB 3.49Å; P140-E143 PolarHBondContact O-N 2.65Å; A141-E143 PolarHBondContact O-N 3.19Å; E143-N177 PolarHBondContact O-ND2 3.43Å
144R88.3Confident88.2Confident11 Ų1129.4 Ų29.44%0.04217%0.171CC..  trans-117.3164176.4-68.2-162.4-71.3171.11.1111.8C97 R135 Y150 E184C97-R144 HydrophobicContact CB-CB 3.93Å; C97-R144 HydrophobicContact CB-CG 4.11Å; C97-R144 VanDerWaalsContact CB-NE 3.33Å; C97-R144 PolarHBondContact O-N 2.74Å; R135-R144 PolarHBondContact NH1-O 2.9Å; R144-Y150 WeakPolarHBondContact CA-OH 3.14Å; R144-Y150 HydrophobicContact CB-CE2 3.65Å; R144-Y150 VanDerWaalsContact CB-OH 3.3Å; R144-Y150 WeakPolarHBondContact CB-OH 3.18Å; R144-Y150 HydrophobicContact CG-CE1 4.28Å; R144-Y150 HydrophobicContact CG-CE2 4.26Å; R144-E184 IonicContact NH1-OE1 3.03Å; R144-E184 PolarHBondContact NH1-OE1 3.33Å
145N92.5Very high88.2Confident0 Ų029.3 Ų29.30%018%0.176CC..  trans-72-176.1164.9-150.8-25.4000110.8R135 V136 Q139 F149 Y150 W174R135-N145 PolarHBondContact O-OD1 3.16Å; V136-N145 PolarHBondContact O-ND2 3.46Å; Q139-N145 HydrophobicContact CG-CB 4.21Å; Q139-N145 PolarHBondContact NE2-ND2 3.17Å; N145-F149 HydrophobicContact CB-CD2 4.32Å; N145-Y150 HydrophobicContact CB-CE2 3.83Å; N145-Y150 PolarHBondContact N-OH 2.94Å; N145-Y150 VanDerWaalsContact N-OH 3.11Å; N145-W174 PolarHBondContact ND2-O 2.79Å
146F93.5Very high88.1Confident0 Ų029.7 Ų29.70%018%0.18CC..BIsolated β-bridgetrans-59.2145.5175.2-66.9-74000112.4F93 N95 R106 L131 R135 V136 I148 F149 Y150 Y293F93-F146 WeakPolarHBondContact O-CD1 3.48Å; N95-F146 WeakPolarHBondContact O-CA 3.25Å; R106-F146 HydrophobicContact CB-CE1 4.02Å; R106-F146 HydrophobicContact CG-CE1 4.41Å; L131-F146 HydrophobicContact CD1-CE1 3.94Å; L131-F146 HydrophobicContact CD1-CZ 3.79Å; L131-F146 HydrophobicContact CG-CZ 4.34Å; R135-F146 HydrophobicContact CB-CE2 4.13Å; R135-F146 HydrophobicContact CB-CZ 4.34Å; R135-F146 HydrophobicContact CG-CE2 4.49Å; V136-F146 HydrophobicContact CG2-CD2 4.11Å; V136-F146 HydrophobicContact CG2-CE2 3.78Å; F146-I148 VanDerWaalsContact C-N 3.25Å; F146-I148 HydrophobicContact CB-CG2 4.32Å; F146-I148 PolarHBondContact O-N 2.87Å; F146-F149 HydrophobicContact CB-CD2 4.22Å; F146-F149 HydrophobicContact CB-CE2 4.43Å; F146-F149 HydrophobicContact CD2-CE2 4.48Å; F146-F149 PolarHBondContact O-N 3.01Å; F146-Y150 WeakPolarHBondContact O-CD2 3.39Å; F146-Y293 VanDerWaalsContact CB-OH 3.31Å; F146-Y293 WeakPolarHBondContact CB-OH 3.4Å; F146-Y293 HydrophobicContact CD2-CD1 4.43Å; F146-Y293 AromaticContact CD2-CE1 3.56Å; F146-Y293 HydrophobicContact CD2-CE1 3.56Å; F146-Y293 HydrophobicContact CD2-CE2 4.4Å; F146-Y293 AromaticContact CD2-CZ 3.55Å; F146-Y293 WeakPolarHBondContact CD2-OH 3.44Å; F146-Y293 HydrophobicContact CE2-CD1 4.21Å; F146-Y293 AromaticContact CE2-CE1 3.56Å; F146-Y293 HydrophobicContact CE2-CE1 3.56Å; F146-Y293 HydrophobicContact CG-CE1 4.18Å; F146-Y293 AromaticContact CG-CZ 3.91Å; F146-Y293 VanDerWaalsContact CG-OH 3.27Å; F146-Y293 WeakPolarHBondContact CG-OH 3.4Å; F146-Y293 HydrophobicContact CZ-CE1 4.17Å
147H92.2Very high88Confident22 Ų2233.2 Ų33.210%0.10220%0.202CC..Hα-helixtrans-57.1-36.2-173.8-66.1-40.1000113.6A92 N95 N102 N103 F149 Y150 Q151A92-H147 PolarHBondContact O-N 3.49Å; N95-H147 PolarHBondContact O-CD2 3.28Å; N95-H147 PolarHBondContact O-N 3.48Å; N95-H147 VanDerWaalsContact O-N 3.11Å; N102-H147 PolarHBondContact O-CE1 3.08Å; N102-H147 VanDerWaalsContact O-CE1 3.22Å; N103-H147 PolarHBondContact OD1-NE2 3.09Å; H147-F149 PolarHBondContact O-N 3.45Å; H147-Y150 PolarHBondContact O-N 3.5Å; H147-Q151 WeakPolarHBondContact O-CG 3.17Å; H147-Q151 PolarHBondContact O-N 3.06Å
148I93.9Very high88Confident0 Ų038.3 Ų38.30%023%0.228CC..Hα-helixtrans-54.7-38.5-177.3-168.663.2000113A92 F93 F146 Y150 Q151 M152 T190 F208 L211 Y293A92-I148 HydrophobicContact CB-CB 4.38Å; A92-I148 HydrophobicContact CB-CD1 4.19Å; A92-I148 WeakPolarHBondContact O-CB 3.25Å; A92-I148 PolarHBondContact O-N 3.03Å; F93-I148 HydrophobicContact CD1-CG2 4.25Å; F93-I148 HydrophobicContact CD2-CB 4.39Å; F93-I148 HydrophobicContact CD2-CD1 4.32Å; F93-I148 HydrophobicContact CD2-CG1 4.23Å; F93-I148 HydrophobicContact CE1-CG1 4.17Å; F93-I148 HydrophobicContact CE1-CG2 4.47Å; F93-I148 HydrophobicContact CE2-CB 4.44Å; F93-I148 HydrophobicContact CE2-CD1 3.72Å; F93-I148 HydrophobicContact CE2-CG1 3.79Å; F93-I148 HydrophobicContact CG-CG2 4.42Å; F93-I148 HydrophobicContact CZ-CD1 4.06Å; F93-I148 HydrophobicContact CZ-CG1 3.76Å; F146-I148 VanDerWaalsContact C-N 3.25Å; F146-I148 HydrophobicContact CB-CG2 4.32Å; F146-I148 PolarHBondContact O-N 2.87Å; I148-Y150 PolarHBondContact O-N 3.27Å; I148-Q151 PolarHBondContact O-N 2.81Å; I148-M152 HydrophobicContact CG1-SD 4.39Å; I148-M152 WeakPolarHBondContact O-CB 3.28Å; I148-M152 VanDerWaalsContact O-CG 3.25Å; I148-M152 WeakPolarHBondContact O-CG 3.39Å; I148-M152 PolarHBondContact O-N 3.33Å; I148-T190 HydrophobicContact CD1-CG2 4.13Å; I148-F208 HydrophobicContact CD1-CE1 4.09Å; I148-L211 HydrophobicContact CG1-CD1 3.61Å; I148-L211 HydrophobicContact CG2-CD1 4.32Å; I148-Y293 HydrophobicContact CG2-CE2 4.35Å
149F93.2Very high88.2Confident0 Ų042.2 Ų42.20%024%0.237CC..Hα-helixtrans-67.1-37.8179.6-64.8-67000112.3V136 N145 F146 H147 M153 L175 L211 I214 L215 Y293V136-F149 HydrophobicContact CG1-CZ 4.43Å; N145-F149 HydrophobicContact CB-CD2 4.32Å; F146-F149 HydrophobicContact CB-CD2 4.22Å; F146-F149 HydrophobicContact CB-CE2 4.43Å; F146-F149 HydrophobicContact CD2-CE2 4.48Å; F146-F149 PolarHBondContact O-N 3.01Å; H147-F149 PolarHBondContact O-N 3.45Å; F149-M153 WeakPolarHBondContact O-CG 2.99Å; F149-M153 PolarHBondContact O-N 3.11Å; F149-M153 VanDerWaalsContact O-N 3.13Å; F149-L175 HydrophobicContact CB-CD1 4.3Å; F149-L175 HydrophobicContact CB-CD2 3.71Å; F149-L175 HydrophobicContact CB-CG 4.24Å; F149-L211 HydrophobicContact CD1-CB 4.48Å; F149-L211 HydrophobicContact CE1-CB 4.11Å; F149-L211 HydrophobicContact CE1-CD2 3.8Å; F149-L211 HydrophobicContact CZ-CD2 4.04Å; F149-I214 HydrophobicContact CE1-CG2 4.34Å; F149-I214 HydrophobicContact CZ-CG2 4.17Å; F149-L215 HydrophobicContact CB-CD2 4.43Å; F149-L215 HydrophobicContact CD1-CD1 3.9Å; F149-L215 HydrophobicContact CD1-CD2 3.61Å; F149-L215 HydrophobicContact CD1-CG 3.72Å; F149-L215 HydrophobicContact CE1-CD2 3.96Å; F149-L215 HydrophobicContact CE1-CG 4.03Å; F149-L215 HydrophobicContact CG-CD2 4.1Å; F149-Y293 HydrophobicContact CE2-CD2 4.14Å; F149-Y293 AromaticContact CE2-CE2 3.68Å; F149-Y293 HydrophobicContact CE2-CE2 3.68Å; F149-Y293 AromaticContact CZ-CD2 3.72Å; F149-Y293 HydrophobicContact CZ-CD2 3.72Å; F149-Y293 AromaticContact CZ-CE2 3.61Å; F149-Y293 HydrophobicContact CZ-CE2 3.61Å
150Y90.1Very high88.5Confident9 Ų943 Ų434%0.03524%0.241CC..Hα-helixtrans-74.6-39.5176.6-62.1-89.4000111.5R144 N145 F146 H147 I148 M152 M153 K154 L175 P176R144-Y150 WeakPolarHBondContact CA-OH 3.14Å; R144-Y150 HydrophobicContact CB-CE2 3.65Å; R144-Y150 VanDerWaalsContact CB-OH 3.3Å; R144-Y150 WeakPolarHBondContact CB-OH 3.18Å; R144-Y150 HydrophobicContact CG-CE1 4.28Å; R144-Y150 HydrophobicContact CG-CE2 4.26Å; N145-Y150 HydrophobicContact CB-CE2 3.83Å; N145-Y150 PolarHBondContact N-OH 2.94Å; N145-Y150 VanDerWaalsContact N-OH 3.11Å; F146-Y150 WeakPolarHBondContact O-CD2 3.39Å; H147-Y150 PolarHBondContact O-N 3.5Å; I148-Y150 PolarHBondContact O-N 3.27Å; Y150-M152 VanDerWaalsContact C-N 3.31Å; Y150-M152 PolarHBondContact O-N 2.85Å; Y150-M153 PolarHBondContact O-N 2.9Å; Y150-K154 PolarHBondContact O-N 2.95Å; Y150-K154 VanDerWaalsContact O-N 3.11Å; Y150-L175 HydrophobicContact CD1-CD2 3.68Å; Y150-L175 HydrophobicContact CD2-CD2 3.87Å; Y150-L175 HydrophobicContact CE1-CD2 3.49Å; Y150-L175 VanDerWaalsContact CE1-CD2 3.49Å; Y150-L175 HydrophobicContact CE2-CD2 3.68Å; Y150-L175 HydrophobicContact CG-CD2 3.86Å; Y150-L175 VanDerWaalsContact CZ-CD2 3.49Å; Y150-P176 PolarHBondContact OH-O 3.2Å
151Q90.3Very high89Confident27 Ų2741.6 Ų41.613%0.12623%0.228CC..Hα-helixtrans-59.3-42.9174.4-71.4174-3.900111.2H147 I148 G155 F187 T190H147-Q151 WeakPolarHBondContact O-CG 3.17Å; H147-Q151 PolarHBondContact O-N 3.06Å; I148-Q151 PolarHBondContact O-N 2.81Å; Q151-G155 WeakPolarHBondContact O-CA 3.48Å; Q151-G155 PolarHBondContact O-N 2.87Å; Q151-F187 HydrophobicContact CB-CB 4.11Å; Q151-F187 HydrophobicContact CB-CD2 4.09Å; Q151-T190 PolarHBondContact OE1-OG1 2.68Å
152M90.7Very high89.7Confident0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-62.1-48.9173.4-73.1172.566.600111.8I148 Y150 K154 A156 W164 M166 F187 F208 L211 A212I148-M152 HydrophobicContact CG1-SD 4.39Å; I148-M152 WeakPolarHBondContact O-CB 3.28Å; I148-M152 VanDerWaalsContact O-CG 3.25Å; I148-M152 WeakPolarHBondContact O-CG 3.39Å; I148-M152 PolarHBondContact O-N 3.33Å; Y150-M152 VanDerWaalsContact C-N 3.31Å; Y150-M152 PolarHBondContact O-N 2.85Å; M152-K154 PolarHBondContact O-N 2.93Å; M152-A156 WeakPolarHBondContact O-CB 3.25Å; M152-A156 PolarHBondContact O-N 2.75Å; M152-W164 HydrophobicContact CB-CZ3 4.01Å; M152-W164 HydrophobicContact CE-CD2 4.24Å; M152-W164 HydrophobicContact CE-CE3 3.89Å; M152-W164 HydrophobicContact CE-CZ3 4.01Å; M152-W164 HydrophobicContact CG-CZ3 4.22Å; M152-M166 HydrophobicContact CE-SD 4.49Å; M152-F187 HydrophobicContact CG-CE2 4.01Å; M152-F208 HydrophobicContact CE-CB 4.08Å; M152-F208 HydrophobicContact CE-CD1 4.12Å; M152-F208 WeakPolarHBondContact CE-O 3.44Å; M152-F208 HydrophobicContact CG-CD1 3.91Å; M152-F208 HydrophobicContact CG-CE1 4.22Å; M152-F208 HydrophobicContact SD-CD1 3.78Å; M152-F208 HydrophobicContact SD-CE1 4.47Å; M152-L211 HydrophobicContact CE-CB 3.87Å; M152-L211 HydrophobicContact SD-CB 3.6Å; M152-L211 HydrophobicContact SD-CD1 3.51Å; M152-L211 VanDerWaalsContact SD-CD1 3.51Å; M152-L211 HydrophobicContact SD-CG 4.22Å; M152-A212 HydrophobicContact CE-CB 4.43Å
153M86.9Confident90.3Very high31 Ų3139.9 Ų39.915%0.15321%0.211CC..Hα-helixtrans-58.9-32.8-178.1-82.4-62.9-65.400113.6F149 Y150 R161 M166 F172 L175F149-M153 WeakPolarHBondContact O-CG 2.99Å; F149-M153 PolarHBondContact O-N 3.11Å; F149-M153 VanDerWaalsContact O-N 3.13Å; Y150-M153 PolarHBondContact O-N 2.9Å; M153-R161 PolarHBondContact O-NH1 2.66Å; M153-R161 PolarHBondContact O-NH2 2.96Å; M153-M166 HydrophobicContact CG-CE 3.99Å; M153-M166 HydrophobicContact SD-CE 3.14Å; M153-M166 WeakPolarHBondContact SD-CE 3.48Å; M153-F172 HydrophobicContact CE-CD2 4.31Å; M153-F172 HydrophobicContact CE-CE2 4.3Å; M153-F172 HydrophobicContact SD-CD2 3.91Å; M153-F172 HydrophobicContact SD-CE2 3.72Å; M153-L175 HydrophobicContact CG-CD1 3.86Å
154K85.6Confident90.7Very high101 Ų10139.9 Ų39.944%0.43921%0.211SC..Hα-helixtrans-97.4-43.9-177.4-164.4-176.6-167.9165.40113.7Y150 M152 E184Y150-K154 PolarHBondContact O-N 2.95Å; Y150-K154 VanDerWaalsContact O-N 3.11Å; M152-K154 PolarHBondContact O-N 2.93Å; K154-E184 HydrophobicContact CD-CB 3.34Å; K154-E184 HydrophobicContact CD-CG 4.27Å; K154-E184 VanDerWaalsContact CD-OE2 3.31Å; K154-E184 WeakPolarHBondContact CD-OE2 3.28Å; K154-E184 IonicContact NZ-OE2 3.45Å; K154-E184 PolarHBondContact NZ-OE2 2.76Å
155G86.3Confident90.9Very high32 Ų3241.8 Ų41.833%0.3322%0.221SC..Hα-helixtrans-86.3-6.3-172.100000115.3Q151 F187Q151-G155 WeakPolarHBondContact O-CA 3.48Å; Q151-G155 PolarHBondContact O-N 2.87Å; G155-F187 VanDerWaalsContact O-CD1 3.29Å; G155-F187 WeakPolarHBondContact O-CD1 3.2Å
156A88.1Confident90.8Very high11 Ų1142 Ų429%0.09122%0.222CC..  trans-64.6133.5178.700000113M152 Q160 R161 W164M152-A156 WeakPolarHBondContact O-CB 3.25Å; M152-A156 PolarHBondContact O-N 2.75Å; A156-Q160 HydrophobicContact CB-CB 4.29Å; A156-R161 HydrophobicContact CB-CG 3.68Å; A156-R161 PolarHBondContact O-NE 3.1Å; A156-W164 HydrophobicContact CB-CE3 4.09Å; A156-W164 HydrophobicContact CB-CH2 3.99Å; A156-W164 HydrophobicContact CB-CZ3 3.41Å; A156-W164 VanDerWaalsContact CB-CZ3 3.41Å
157T90.5Very high90.4Very high75 Ų7545.5 Ų45.546%0.4625%0.245SC..  trans-68.4161.3164.360.10000111.5E159 Q160 R161T157-E159 VanDerWaalsContact C-N 3.27Å; T157-E159 PolarHBondContact O-N 3.08Å; T157-Q160 WeakPolarHBondContact O-CB 3.43Å; T157-Q160 PolarHBondContact O-N 3.15Å; T157-Q160 VanDerWaalsContact O-N 3.15Å; T157-Q160 WeakPolarHBondContact OG1-CB 3.26Å; T157-Q160 VanDerWaalsContact OG1-CD 3.29Å; T157-Q160 VanDerWaalsContact OG1-CG 3.25Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.45Å; T157-Q160 PolarHBondContact OG1-N 3.41Å; T157-Q160 PolarHBondContact OG1-OE1 3.27Å; T157-R161 WeakPolarHBondContact O-CG 3.39Å; T157-R161 PolarHBondContact O-N 3.18Å
158D89.1Confident89.8Confident115 Ų11550.6 Ų50.662%0.61527%0.269SS*.Hα-helixtrans-63-34179.6-64.3-34.2000112.6R161 T162D158-R161 PolarHBondContact O-N 3.45Å; D158-T162 PolarHBondContact O-N 2.96Å; D158-T162 PolarHBondContact O-OG1 3.36Å
159E90.6Very high89.1Confident168 Ų16858.5 Ų58.579%0.78531%0.311SS*.Hα-helixtrans-62.9-46172.8-65.8-175.9-177.100111.4T157 T162 D163T157-E159 VanDerWaalsContact C-N 3.27Å; T157-E159 PolarHBondContact O-N 3.08Å; E159-T162 WeakPolarHBondContact O-CB 3.36Å; E159-T162 PolarHBondContact O-N 3.06Å; E159-D163 PolarHBondContact O-N 3.44Å
160Q91.9Very high88.7Confident50 Ų5060.6 Ų60.623%0.23432%0.321CS..Hα-helixtrans-64-42.6176.7-78.4169.7-34.100112A156 T157 T162 D163 W164A156-Q160 HydrophobicContact CB-CB 4.29Å; T157-Q160 WeakPolarHBondContact O-CB 3.43Å; T157-Q160 PolarHBondContact O-N 3.15Å; T157-Q160 VanDerWaalsContact O-N 3.15Å; T157-Q160 WeakPolarHBondContact OG1-CB 3.26Å; T157-Q160 VanDerWaalsContact OG1-CD 3.29Å; T157-Q160 VanDerWaalsContact OG1-CG 3.25Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.45Å; T157-Q160 PolarHBondContact OG1-N 3.41Å; T157-Q160 PolarHBondContact OG1-OE1 3.27Å; Q160-T162 PolarHBondContact O-N 2.9Å; Q160-D163 PolarHBondContact O-N 3.03Å; Q160-W164 HydrophobicContact CB-CD2 4.21Å; Q160-W164 HydrophobicContact CB-CE3 4.37Å; Q160-W164 HydrophobicContact CB-CH2 3.72Å; Q160-W164 HydrophobicContact CB-CZ2 3.52Å; Q160-W164 HydrophobicContact CB-CZ3 4.18Å; Q160-W164 HydrophobicContact CG-CH2 4.05Å; Q160-W164 HydrophobicContact CG-CZ2 3.61Å; Q160-W164 WeakPolarHBondContact O-CB 3.1Å; Q160-W164 VanDerWaalsContact O-CD2 3.22Å; Q160-W164 PolarHBondContact O-N 3.43Å
161R91Very high88.4Confident33 Ų3362.6 Ų62.613%0.12534%0.344CS..Hα-helixtrans-59.6-37.8175.9-72.8178.7-175.6-920.1112.2M153 A156 T157 D158 M165 M166M153-R161 PolarHBondContact O-NH1 2.66Å; M153-R161 PolarHBondContact O-NH2 2.96Å; A156-R161 HydrophobicContact CB-CG 3.68Å; A156-R161 PolarHBondContact O-NE 3.1Å; T157-R161 WeakPolarHBondContact O-CG 3.39Å; T157-R161 PolarHBondContact O-N 3.18Å; D158-R161 PolarHBondContact O-N 3.45Å; R161-M165 PolarHBondContact O-N 3.34Å; R161-M166 PolarHBondContact O-N 3.48Å
162T92.7Very high88.4Confident111 Ų11162 Ų6268%0.68134%0.341SS*.Hα-helixtrans-67.1-47.1176-53.80000110.7D158 E159 Q160 W164 M165D158-T162 PolarHBondContact O-N 2.96Å; D158-T162 PolarHBondContact O-OG1 3.36Å; E159-T162 WeakPolarHBondContact O-CB 3.36Å; E159-T162 PolarHBondContact O-N 3.06Å; Q160-T162 PolarHBondContact O-N 2.9Å; T162-W164 VanDerWaalsContact C-N 3.28Å; T162-W164 PolarHBondContact O-N 3.48Å; T162-M165 PolarHBondContact O-N 2.92Å
163D92.7Very high88.4Confident38 Ų3866.6 Ų66.620%0.20337%0.369CS..Hα-helixtrans-62-33.5176.9-172.452.8000112.8E159 Q160 R205E159-D163 PolarHBondContact O-N 3.44Å; Q160-D163 PolarHBondContact O-N 3.03Å; D163-R205 IonicContact OD1-NH1 3.85Å; D163-R205 PolarHBondContact OD1-NH1 2.91Å; D163-R205 VanDerWaalsContact OD2-CG 3.28Å; D163-R205 WeakPolarHBondContact OD2-CG 3.47Å; D163-R205 IonicContact OD2-NH1 2.95Å; D163-R205 PolarHBondContact OD2-NH1 2.89Å
164W93.9Very high88.6Confident3 Ų365.4 Ų65.41%0.01136%0.363CS..THydrogen-bonded Turntrans-90.8-4.5-179.4-54-15.3000113.2M152 A156 Q160 T162 M166 F187 F208 A212 H216 L248M152-W164 HydrophobicContact CB-CZ3 4.01Å; M152-W164 HydrophobicContact CE-CD2 4.24Å; M152-W164 HydrophobicContact CE-CE3 3.89Å; M152-W164 HydrophobicContact CE-CZ3 4.01Å; M152-W164 HydrophobicContact CG-CZ3 4.22Å; A156-W164 HydrophobicContact CB-CE3 4.09Å; A156-W164 HydrophobicContact CB-CH2 3.99Å; A156-W164 HydrophobicContact CB-CZ3 3.41Å; A156-W164 VanDerWaalsContact CB-CZ3 3.41Å; Q160-W164 HydrophobicContact CB-CD2 4.21Å; Q160-W164 HydrophobicContact CB-CE3 4.37Å; Q160-W164 HydrophobicContact CB-CH2 3.72Å; Q160-W164 HydrophobicContact CB-CZ2 3.52Å; Q160-W164 HydrophobicContact CB-CZ3 4.18Å; Q160-W164 HydrophobicContact CG-CH2 4.05Å; Q160-W164 HydrophobicContact CG-CZ2 3.61Å; Q160-W164 WeakPolarHBondContact O-CB 3.1Å; Q160-W164 VanDerWaalsContact O-CD2 3.22Å; Q160-W164 PolarHBondContact O-N 3.43Å; T162-W164 VanDerWaalsContact C-N 3.28Å; T162-W164 PolarHBondContact O-N 3.48Å; W164-M166 HydrophobicContact CB-CB 4.37Å; W164-M166 HydrophobicContact CB-CG 4Å; W164-M166 HydrophobicContact CB-SD 3.92Å; W164-M166 HydrophobicContact CE3-SD 4.32Å; W164-M166 WeakPolarHBondContact O-CG 3.26Å; W164-M166 PolarHBondContact O-N 3.47Å; W164-F187 HydrophobicContact CH2-CE1 4.3Å; W164-F187 HydrophobicContact CH2-CE2 4.38Å; W164-F187 AromaticContact CH2-CZ 3.68Å; W164-F187 HydrophobicContact CH2-CZ 3.68Å; W164-F187 HydrophobicContact CZ2-CZ 4.43Å; W164-F208 HydrophobicContact CD2-CB 4.43Å; W164-F208 HydrophobicContact CH2-CB 4.39Å; W164-F208 HydrophobicContact CH2-CG 4.34Å; W164-F208 HydrophobicContact CZ2-CB 3.61Å; W164-F208 AromaticContact CZ2-CD2 3.99Å; W164-F208 HydrophobicContact CZ2-CD2 3.99Å; W164-F208 AromaticContact CZ2-CG 3.82Å; W164-F208 HydrophobicContact CZ2-CG 3.82Å; W164-A212 HydrophobicContact CB-CB 3.78Å; W164-A212 HydrophobicContact CG-CB 4.32Å; W164-H216 PolarHBondContact O-NE2 3.27Å; W164-L248 WeakPolarHBondContact O-CD1 3.41Å
165M93.6Very high88.6Confident51 Ų5160.9 Ų60.925%0.25134%0.343SS..THydrogen-bonded Turntrans55.239.7-175.1-50.2-176.9173.800112.7R161 T162 P167 H216 R244 E247R161-M165 PolarHBondContact O-N 3.34Å; T162-M165 PolarHBondContact O-N 2.92Å; M165-P167 WeakPolarHBondContact O-CD 3.49Å; M165-H216 PolarHBondContact O-CE1 3.18Å; M165-H216 PolarHBondContact O-NE2 3.03Å; M165-R244 HydrophobicContact CB-CG 4.38Å; M165-R244 HydrophobicContact SD-CB 4.06Å; M165-R244 HydrophobicContact SD-CG 3.69Å; M165-E247 HydrophobicContact CE-CG 4.11Å; M165-E247 WeakPolarHBondContact CE-OE1 3.33Å; M165-E247 VanDerWaalsContact CE-OE2 3.25Å; M165-E247 WeakPolarHBondContact CE-OE2 3.37Å
166M89.4Confident88.3Confident4 Ų461.3 Ų61.32%0.0234%0.34CS..  trans-117.682-175.1-69.1176.864.400110.9M152 M153 R161 W164 F172 A212 L215M152-M166 HydrophobicContact CE-SD 4.49Å; M153-M166 HydrophobicContact CG-CE 3.99Å; M153-M166 HydrophobicContact SD-CE 3.14Å; M153-M166 WeakPolarHBondContact SD-CE 3.48Å; R161-M166 PolarHBondContact O-N 3.48Å; W164-M166 HydrophobicContact CB-CB 4.37Å; W164-M166 HydrophobicContact CB-CG 4Å; W164-M166 HydrophobicContact CB-SD 3.92Å; W164-M166 HydrophobicContact CE3-SD 4.32Å; W164-M166 WeakPolarHBondContact O-CG 3.26Å; W164-M166 PolarHBondContact O-N 3.47Å; M166-F172 HydrophobicContact CE-CD2 4.5Å; M166-F172 HydrophobicContact CE-CE2 3.73Å; M166-F172 HydrophobicContact CE-CZ 4.12Å; M166-F172 HydrophobicContact CG-CE2 4.28Å; M166-F172 HydrophobicContact CG-CZ 3.89Å; M166-A212 HydrophobicContact CG-CB 4.37Å; M166-A212 HydrophobicContact SD-CB 3.57Å; M166-A212 VanDerWaalsContact SD-CB 3.57Å; M166-L215 HydrophobicContact CE-CD1 3.59Å; M166-L215 HydrophobicContact SD-CD1 4.32Å
167P85.3Confident87.6Confident74 Ų7463.4 Ų63.448%0.48135%0.35SS..  trans-65.5155.3177.221.1-22.5000111.4M165 D169 Q170M165-P167 WeakPolarHBondContact O-CD 3.49Å; P167-D169 VanDerWaalsContact C-N 3.28Å; P167-D169 PolarHBondContact O-N 3.39Å; P167-Q170 HydrophobicContact CG-CB 3.98Å; P167-Q170 VanDerWaalsContact O-CB 3.29Å; P167-Q170 WeakPolarHBondContact O-CB 3.36Å; P167-Q170 PolarHBondContact O-N 2.91Å; P167-Q170 VanDerWaalsContact O-N 3.12Å
168Q79.3Confident86.2Confident130 Ų13062.9 Ų62.961%0.60735%0.349SS*.THydrogen-bonded Turntrans-58.7-37-173.9-77.2-1805.400113.4Q170Q168-Q170 VanDerWaalsContact C-N 3.29Å; Q168-Q170 PolarHBondContact O-N 3.28Å
169D81.2Confident84.7Confident165 Ų16566.2 Ų66.288%0.88236%0.361SS*.THydrogen-bonded Turntrans-85.53-177.5-55.9-40.4000113.6P167 G171P167-D169 VanDerWaalsContact C-N 3.28Å; P167-D169 PolarHBondContact O-N 3.39Å; D169-G171 PolarHBondContact O-N 3.45Å
170Q83.4Confident83.1Confident45 Ų4562.9 Ų62.921%0.2134%0.344CS..  trans-74.3117.4-177.2-174.459.962.600111.7P167 Q168 F172 N219 F241P167-Q170 HydrophobicContact CG-CB 3.98Å; P167-Q170 VanDerWaalsContact O-CB 3.29Å; P167-Q170 WeakPolarHBondContact O-CB 3.36Å; P167-Q170 PolarHBondContact O-N 2.91Å; P167-Q170 VanDerWaalsContact O-N 3.12Å; Q168-Q170 VanDerWaalsContact C-N 3.29Å; Q168-Q170 PolarHBondContact O-N 3.28Å; Q170-F172 HydrophobicContact CB-CE2 4.11Å; Q170-F172 HydrophobicContact CB-CZ 4.31Å; Q170-F172 HydrophobicContact CG-CD2 4.31Å; Q170-F172 HydrophobicContact CG-CE1 3.98Å; Q170-F172 HydrophobicContact CG-CE2 3.66Å; Q170-F172 HydrophobicContact CG-CZ 3.48Å; Q170-F172 VanDerWaalsContact CG-CZ 3.48Å; Q170-N219 PolarHBondContact NE2-ND2 3.03Å; Q170-F241 VanDerWaalsContact NE2-CZ 3.28Å
171G84.9Confident81.1Confident50 Ų5069.2 Ų69.252%0.51537%0.373SS..  trans-78140.5167.200000112.1D169 N219D169-G171 PolarHBondContact O-N 3.45Å; G171-N219 PolarHBondContact O-ND2 3.49Å
172F89.9Confident79.1Confident15 Ų1570.4 Ų70.47%0.06638%0.381CS..  trans-123.2128.3173.6-69.5-74.5000110.9M153 M166 Q170 W174 L175 L215 H216 N219M153-F172 HydrophobicContact CE-CD2 4.31Å; M153-F172 HydrophobicContact CE-CE2 4.3Å; M153-F172 HydrophobicContact SD-CD2 3.91Å; M153-F172 HydrophobicContact SD-CE2 3.72Å; M166-F172 HydrophobicContact CE-CD2 4.5Å; M166-F172 HydrophobicContact CE-CE2 3.73Å; M166-F172 HydrophobicContact CE-CZ 4.12Å; M166-F172 HydrophobicContact CG-CE2 4.28Å; M166-F172 HydrophobicContact CG-CZ 3.89Å; Q170-F172 HydrophobicContact CB-CE2 4.11Å; Q170-F172 HydrophobicContact CB-CZ 4.31Å; Q170-F172 HydrophobicContact CG-CD2 4.31Å; Q170-F172 HydrophobicContact CG-CE1 3.98Å; Q170-F172 HydrophobicContact CG-CE2 3.66Å; Q170-F172 HydrophobicContact CG-CZ 3.48Å; Q170-F172 VanDerWaalsContact CG-CZ 3.48Å; F172-W174 VanDerWaalsContact C-N 3.28Å; F172-W174 PolarHBondContact O-N 3.26Å; F172-L175 HydrophobicContact CB-CB 4.02Å; F172-L175 HydrophobicContact CB-CD1 3.92Å; F172-L175 HydrophobicContact CB-CG 4.46Å; F172-L175 HydrophobicContact CD2-CD1 4.09Å; F172-L175 HydrophobicContact CG-CD1 4.26Å; F172-L175 PolarHBondContact O-N 3.32Å; F172-L175 VanDerWaalsContact O-N 3.09Å; F172-L215 HydrophobicContact CD1-CB 3.67Å; F172-L215 WeakPolarHBondContact CD1-O 3.24Å; F172-L215 HydrophobicContact CE1-CB 3.82Å; F172-L215 HydrophobicContact CG-CB 4.1Å; F172-L215 HydrophobicContact CZ-CB 4.38Å; F172-H216 AromaticContact CE1-CE1 3.99Å; F172-H216 AromaticContact CE1-ND1 3.89Å; F172-N219 WeakPolarHBondContact CA-OD1 3.46Å
173V89.4Confident77.1Confident97 Ų9774.3 Ų74.359%0.58839%0.392SS*.THydrogen-bonded Turntrans-60.7-37.6-176.3174.70000112L175 N219V173-L175 VanDerWaalsContact C-N 3.26Å; V173-L175 PolarHBondContact O-N 3.44Å; V173-N219 WeakPolarHBondContact CG2-OD1 3.2Å; V173-N219 PolarHBondContact N-OD1 3.21Å
174W91.2Very high75.2Confident5 Ų573.6 Ų73.62%0.01939%0.387CS..THydrogen-bonded Turntrans-85.79.7179.8-64.2-22.5000114.5A137 Q139 N145 F172 P176 I214 L217 G218 R285 D286 A289A137-W174 HydrophobicContact CB-CD2 4.43Å; A137-W174 HydrophobicContact CB-CH2 4.44Å; A137-W174 HydrophobicContact CB-CZ2 3.85Å; A137-W174 VanDerWaalsContact O-CD1 3.24Å; A137-W174 PolarHBondContact O-NE1 3.08Å; A137-W174 VanDerWaalsContact O-NE1 3.1Å; Q139-W174 PolarHBondContact NE2-O 2.98Å; N145-W174 PolarHBondContact ND2-O 2.79Å; F172-W174 VanDerWaalsContact C-N 3.28Å; F172-W174 PolarHBondContact O-N 3.26Å; W174-P176 WeakPolarHBondContact O-CD 3.23Å; W174-I214 HydrophobicContact CE3-CG2 4.1Å; W174-I214 HydrophobicContact CZ3-CG2 3.92Å; W174-I214 WeakPolarHBondContact CZ3-O 3.46Å; W174-L217 HydrophobicContact CH2-CG 4.45Å; W174-G218 VanDerWaalsContact CD2-CA 3.47Å; W174-G218 VanDerWaalsContact CE3-CA 3.46Å; W174-G218 VanDerWaalsContact CZ3-CA 3.5Å; W174-R285 HydrophobicContact CH2-CG 4.33Å; W174-D286 WeakPolarHBondContact CZ2-OD1 3.4Å; W174-A289 HydrophobicContact CE3-CB 4.46Å; W174-A289 HydrophobicContact CH2-CB 3.47Å; W174-A289 VanDerWaalsContact CH2-CB 3.47Å; W174-A289 HydrophobicContact CZ3-CB 3.4Å; W174-A289 VanDerWaalsContact CZ3-CB 3.4Å
175L87.1Confident73.4Confident6 Ų680 Ų803%0.03142%0.422CS..  trans-121.867173.8-86.3159.8000110F149 Y150 M153 F172 V173 C178 L215F149-L175 HydrophobicContact CB-CD1 4.3Å; F149-L175 HydrophobicContact CB-CD2 3.71Å; F149-L175 HydrophobicContact CB-CG 4.24Å; Y150-L175 HydrophobicContact CD1-CD2 3.68Å; Y150-L175 HydrophobicContact CD2-CD2 3.87Å; Y150-L175 HydrophobicContact CE1-CD2 3.49Å; Y150-L175 VanDerWaalsContact CE1-CD2 3.49Å; Y150-L175 HydrophobicContact CE2-CD2 3.68Å; Y150-L175 HydrophobicContact CG-CD2 3.86Å; Y150-L175 VanDerWaalsContact CZ-CD2 3.49Å; M153-L175 HydrophobicContact CG-CD1 3.86Å; F172-L175 HydrophobicContact CB-CB 4.02Å; F172-L175 HydrophobicContact CB-CD1 3.92Å; F172-L175 HydrophobicContact CB-CG 4.46Å; F172-L175 HydrophobicContact CD2-CD1 4.09Å; F172-L175 HydrophobicContact CG-CD1 4.26Å; F172-L175 PolarHBondContact O-N 3.32Å; F172-L175 VanDerWaalsContact O-N 3.09Å; V173-L175 VanDerWaalsContact C-N 3.26Å; V173-L175 PolarHBondContact O-N 3.44Å; L175-C178 PolarHBondContact O-SG 3.27Å; L175-L215 HydrophobicContact CD1-CD1 3.5Å; L175-L215 VanDerWaalsContact CD1-CD1 3.5Å; L175-L215 HydrophobicContact CD1-CD2 3.46Å; L175-L215 VanDerWaalsContact CD1-CD2 3.46Å; L175-L215 HydrophobicContact CD1-CG 4.08Å; L175-L215 HydrophobicContact CG-CD2 3.9Å
176P79.8Confident72.6Confident42 Ų4278.2 Ų78.227%0.27342%0.416SS..THydrogen-bonded Turntrans-67.1153.8173.829.9-34.9000110.6Q139 Y150 W174Q139-P176 HydrophobicContact CB-CG 4.33Å; Q139-P176 HydrophobicContact CG-CG 4.36Å; Y150-P176 PolarHBondContact OH-O 3.2Å; W174-P176 WeakPolarHBondContact O-CD 3.23Å
177N72.9Confident72.5Confident55 Ų5578.5 Ų78.529%0.29442%0.417SS..THydrogen-bonded Turntrans62.140.9173.4-53.8-58.2000115.4E143 E179 K180E143-N177 PolarHBondContact O-ND2 3.43Å; N177-E179 PolarHBondContact O-N 3.07Å; N177-E179 VanDerWaalsContact O-N 3.11Å; N177-K180 HydrophobicContact CB-CD 4.18Å; N177-K180 HydrophobicContact CB-CG 4.4Å; N177-K180 PolarHBondContact O-N 3.09Å
178C60.6Low72.7Confident64 Ų6480.2 Ų80.243%0.43242%0.422SS..THydrogen-bonded Turntrans-56.4-23.2177-66.10000114.6L175L175-C178 PolarHBondContact O-SG 3.27Å
179E58.6Low73.1Confident185 Ų18579.4 Ų79.486%0.86442%0.418SS*.THydrogen-bonded Turntrans-88.7-10.9-174.7-61.5176.3-175.600114.3N177 Q181N177-E179 PolarHBondContact O-N 3.07Å; N177-E179 VanDerWaalsContact O-N 3.11Å; E179-Q181 PolarHBondContact O-N 2.87Å
180K55.6Low73.6Confident98 Ų9871.7 Ų71.743%0.42638%0.377SS..  trans-74.396-177.7-80.8-175-178.8169.40111N177 I182N177-K180 HydrophobicContact CB-CD 4.18Å; N177-K180 HydrophobicContact CB-CG 4.4Å; N177-K180 PolarHBondContact O-N 3.09Å; K180-I182 PolarHBondContact O-N 3.49Å; K180-I182 VanDerWaalsContact O-N 3.11Å
181Q51.2Low74Confident182 Ų18270.6 Ų70.685%0.8537%0.373SS*.  trans-47.7103.7173.3-65.6-177.7-15.600113.6E179E179-Q181 PolarHBondContact O-N 2.87Å
182I49Very low74.2Confident58 Ų5873.1 Ų73.130%0.29737%0.371SS..SBendtrans-141.1105.5157.9-56.9175.5000108.2N102 K180 E184N102-I182 HydrophobicContact CB-CD1 4Å; K180-I182 PolarHBondContact O-N 3.49Å; K180-I182 VanDerWaalsContact O-N 3.11Å; I182-E184 VanDerWaalsContact C-N 3.31Å; I182-E184 WeakPolarHBondContact O-CG 3.47Å; I182-E184 PolarHBondContact O-N 2.85Å
183E51.2Low74.3Confident193 Ų19372.6 Ų72.690%0.90237%0.37SS*.  trans26.860.7165.8-68.6-177.2167.600114.7D185E183-D185 PolarHBondContact O-N 2.92Å
184E52.8Low74.4Confident23 Ų2368 Ų6811%0.10734%0.342CS..  trans-90.232.3-172.8-54.6175.2134.400112.3R144 K154 I182R144-E184 IonicContact NH1-OE1 3.03Å; R144-E184 PolarHBondContact NH1-OE1 3.33Å; K154-E184 HydrophobicContact CD-CB 3.34Å; K154-E184 HydrophobicContact CD-CG 4.27Å; K154-E184 VanDerWaalsContact CD-OE2 3.31Å; K154-E184 WeakPolarHBondContact CD-OE2 3.28Å; K154-E184 IonicContact NZ-OE2 3.45Å; K154-E184 PolarHBondContact NZ-OE2 2.76Å; I182-E184 VanDerWaalsContact C-N 3.31Å; I182-E184 WeakPolarHBondContact O-CG 3.47Å; I182-E184 PolarHBondContact O-N 2.85Å
185D55.4Low74.3Confident139 Ų13970.3 Ų70.374%0.74336%0.362SS*.  trans-10225.3-179.8-61.8-19.2000111.5E183E183-D185 PolarHBondContact O-N 2.92Å
186G76.1Confident74.3Confident12 Ų1275.1 Ų75.112%0.12438%0.384CS..  trans-91.6-1.1-177.800000115.1E189 T190G186-E189 PolarHBondContact O-N 3.23Å; G186-T190 WeakPolarHBondContact O-CB 3.5Å; G186-T190 PolarHBondContact O-N 2.7Å; G186-T190 PolarHBondContact O-OG1 3.25Å
187F88.3Confident74.7Confident11 Ų1173.1 Ų73.15%0.04837%0.371CS..Hα-helixtrans-63.9-45.2-179.1-174-115.4000111.2Q151 M152 G155 W164 T190 T191 F208Q151-F187 HydrophobicContact CB-CB 4.11Å; Q151-F187 HydrophobicContact CB-CD2 4.09Å; M152-F187 HydrophobicContact CG-CE2 4.01Å; G155-F187 VanDerWaalsContact O-CD1 3.29Å; G155-F187 WeakPolarHBondContact O-CD1 3.2Å; W164-F187 HydrophobicContact CH2-CE1 4.3Å; W164-F187 HydrophobicContact CH2-CE2 4.38Å; W164-F187 AromaticContact CH2-CZ 3.68Å; W164-F187 HydrophobicContact CH2-CZ 3.68Å; W164-F187 HydrophobicContact CZ2-CZ 4.43Å; F187-T190 PolarHBondContact O-N 2.86Å; F187-T191 HydrophobicContact CD1-CG2 4.33Å; F187-T191 HydrophobicContact CD2-CG2 4.43Å; F187-T191 HydrophobicContact CE1-CG2 3.91Å; F187-T191 HydrophobicContact CE2-CG2 4.02Å; F187-T191 HydrophobicContact CZ-CG2 3.71Å; F187-T191 WeakPolarHBondContact O-CG2 3.45Å; F187-T191 PolarHBondContact O-N 3.4Å; F187-T191 PolarHBondContact O-OG1 3.03Å; F187-F208 HydrophobicContact CE2-CD1 4.3Å; F187-F208 AromaticContact CE2-CE1 3.61Å; F187-F208 HydrophobicContact CE2-CE1 3.61Å; F187-F208 HydrophobicContact CE2-CE2 4.37Å; F187-F208 AromaticContact CE2-CZ 3.66Å; F187-F208 HydrophobicContact CE2-CZ 3.66Å; F187-F208 HydrophobicContact CZ-CE1 4.14Å; F187-F208 HydrophobicContact CZ-CE2 4.15Å; F187-F208 AromaticContact CZ-CZ 3.88Å; F187-F208 HydrophobicContact CZ-CZ 3.88Å
188L88.6Confident75.4Confident110 Ų11072.6 Ų72.658%0.57638%0.379SS*.Hα-helixtrans-60.1-49.5176.9-176.264.8000111.1T190 T191 E192L188-T190 PolarHBondContact O-N 2.95Å; L188-T191 WeakPolarHBondContact CA-OG1 3.42Å; L188-T191 PolarHBondContact O-N 3.4Å; L188-T191 VanDerWaalsContact O-N 3.12Å; L188-T191 PolarHBondContact O-OG1 3.41Å; L188-E192 HydrophobicContact CD1-CG 4.28Å; L188-E192 HydrophobicContact CG-CG 4.36Å; L188-E192 WeakPolarHBondContact O-CB 3.4Å; L188-E192 WeakPolarHBondContact O-CG 3.3Å; L188-E192 PolarHBondContact O-N 3.42Å
189E88.8Confident76.8Confident113 Ų11369.6 Ų69.653%0.52836%0.359SS..Hα-helixtrans-55.5-41.3176.4-174.8-177.9-174.100111.6P88 G186 A193P88-E189 HydrophobicContact CB-CG 4.38Å; G186-E189 PolarHBondContact O-N 3.23Å; E189-A193 VanDerWaalsContact O-CB 3.25Å; E189-A193 WeakPolarHBondContact O-CB 3.43Å; E189-A193 PolarHBondContact O-N 2.77Å
190T91.4Very high78.4Confident3 Ų365 Ų652%0.01834%0.34CS..Hα-helixtrans-66.9-45.3177.5-55.50000111.4L89 A92 I148 Q151 G186 F187 L188 A193 M194L89-T190 HydrophobicContact CD1-CG2 4.22Å; A92-T190 HydrophobicContact CB-CG2 3.79Å; I148-T190 HydrophobicContact CD1-CG2 4.13Å; Q151-T190 PolarHBondContact OE1-OG1 2.68Å; G186-T190 WeakPolarHBondContact O-CB 3.5Å; G186-T190 PolarHBondContact O-N 2.7Å; G186-T190 PolarHBondContact O-OG1 3.25Å; F187-T190 PolarHBondContact O-N 2.86Å; L188-T190 PolarHBondContact O-N 2.95Å; T190-A193 PolarHBondContact O-N 3.47Å; T190-M194 HydrophobicContact CG2-SD 4.43Å; T190-M194 VanDerWaalsContact O-CG 3.25Å; T190-M194 WeakPolarHBondContact O-CG 3.32Å; T190-M194 PolarHBondContact O-N 3.48Å
191T91.2Very high80.2Confident21 Ų2164.1 Ų64.113%0.12935%0.351CS..Hα-helixtrans-66.4-37.4178.155.30000112.9F187 L188 M194 A195 Q204 F208F187-T191 HydrophobicContact CD1-CG2 4.33Å; F187-T191 HydrophobicContact CD2-CG2 4.43Å; F187-T191 HydrophobicContact CE1-CG2 3.91Å; F187-T191 HydrophobicContact CE2-CG2 4.02Å; F187-T191 HydrophobicContact CZ-CG2 3.71Å; F187-T191 WeakPolarHBondContact O-CG2 3.45Å; F187-T191 PolarHBondContact O-N 3.4Å; F187-T191 PolarHBondContact O-OG1 3.03Å; L188-T191 WeakPolarHBondContact CA-OG1 3.42Å; L188-T191 PolarHBondContact O-N 3.4Å; L188-T191 VanDerWaalsContact O-N 3.12Å; L188-T191 PolarHBondContact O-OG1 3.41Å; T191-M194 PolarHBondContact O-N 3.29Å; T191-A195 PolarHBondContact O-N 3.18Å; T191-Q204 PolarHBondContact O-NE2 3.26Å; T191-F208 HydrophobicContact CG2-CE2 4.13Å; T191-F208 HydrophobicContact CG2-CZ 3.93Å
192E89.6Confident82.1Confident103 Ų10360.1 Ų60.148%0.48133%0.332SS..Hα-helixtrans-66-43.5174.2-73.5-177172.100110.9L188 M194 A195 H196L188-E192 HydrophobicContact CD1-CG 4.28Å; L188-E192 HydrophobicContact CG-CG 4.36Å; L188-E192 WeakPolarHBondContact O-CB 3.4Å; L188-E192 WeakPolarHBondContact O-CG 3.3Å; L188-E192 PolarHBondContact O-N 3.42Å; E192-M194 VanDerWaalsContact C-N 3.34Å; E192-M194 PolarHBondContact O-N 3.35Å; E192-A195 WeakPolarHBondContact O-CB 3.45Å; E192-A195 PolarHBondContact O-N 2.9Å; E192-H196 PolarHBondContact O-N 2.92Å
193A90.6Very high84.2Confident4 Ų460.8 Ų60.83%0.03333%0.331CS..Hα-helixtrans-60.7-42174.500000112.1D85 P88 E189 T190 A195 H196 L197D85-A193 HydrophobicContact CB-CB 4.34Å; P88-A193 HydrophobicContact CB-CB 4.33Å; E189-A193 VanDerWaalsContact O-CB 3.25Å; E189-A193 WeakPolarHBondContact O-CB 3.43Å; E189-A193 PolarHBondContact O-N 2.77Å; T190-A193 PolarHBondContact O-N 3.47Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 3.34Å; A193-H196 PolarHBondContact O-N 2.93Å; A193-L197 WeakPolarHBondContact O-CB 3.39Å; A193-L197 WeakPolarHBondContact O-CD1 3.47Å; A193-L197 VanDerWaalsContact O-CG 3.26Å; A193-L197 WeakPolarHBondContact O-CG 3.15Å; A193-L197 PolarHBondContact O-N 3.31Å
194M92.1Very high86.3Confident0 Ų053 Ų530%030%0.295CS..Hα-helixtrans-58.5-45.3173.7-71175.588.800111.3L89 T190 T191 E192 L197 G198 I199 Q204 I207 F208L89-M194 HydrophobicContact CD1-CG 3.6Å; L89-M194 HydrophobicContact CD1-SD 4.14Å; L89-M194 HydrophobicContact CD2-CG 4.22Å; L89-M194 HydrophobicContact CG-CG 4.5Å; T190-M194 HydrophobicContact CG2-SD 4.43Å; T190-M194 VanDerWaalsContact O-CG 3.25Å; T190-M194 WeakPolarHBondContact O-CG 3.32Å; T190-M194 PolarHBondContact O-N 3.48Å; T191-M194 PolarHBondContact O-N 3.29Å; E192-M194 VanDerWaalsContact C-N 3.34Å; E192-M194 PolarHBondContact O-N 3.35Å; M194-L197 PolarHBondContact O-N 3.31Å; M194-G198 PolarHBondContact O-N 2.87Å; M194-I199 HydrophobicContact CB-CB 4.15Å; M194-I199 HydrophobicContact CB-CD1 4.15Å; M194-I199 HydrophobicContact CE-CD1 4.01Å; M194-I199 HydrophobicContact CE-CG2 4.21Å; M194-I199 HydrophobicContact CG-CD1 4.09Å; M194-I199 WeakPolarHBondContact O-CB 3.43Å; M194-I199 PolarHBondContact O-N 3.28Å; M194-Q204 HydrophobicContact CB-CG 4.14Å; M194-Q204 HydrophobicContact CE-CG 4Å; M194-Q204 HydrophobicContact SD-CG 4.3Å; M194-I207 HydrophobicContact CE-CB 4.42Å; M194-I207 HydrophobicContact CE-CD1 3.38Å; M194-I207 HydrophobicContact CE-CG1 4.48Å; M194-I207 HydrophobicContact CE-CG2 4.22Å; M194-F208 HydrophobicContact SD-CE2 4.45Å; M194-F208 HydrophobicContact SD-CZ 3.86Å
195A90.3Very high88.2Confident54 Ų5457.3 Ų57.345%0.44631%0.31SS..Hα-helixtrans-63.9-43.317800000112.4T191 E192 A193 L197 G198T191-A195 PolarHBondContact O-N 3.18Å; E192-A195 WeakPolarHBondContact O-CB 3.45Å; E192-A195 PolarHBondContact O-N 2.9Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 3.34Å; A195-L197 VanDerWaalsContact C-N 3.32Å; A195-L197 PolarHBondContact O-N 3.37Å; A195-G198 PolarHBondContact O-N 3.19Å
196H85.8Confident90.1Very high107 Ų10751.7 Ų51.750%0.49528%0.279SS..Hα-helixtrans-64.4-34.7177.5-71.1174.4000113.6R82 D85 E192 A193 G198R82-H196 PolarHBondContact NE-O 3.14Å; D85-H196 IonicContact OD2-CE1 3.99Å; D85-H196 IonicContact OD2-CG 2.66Å; D85-H196 IonicContact OD2-ND1 2.87Å; D85-H196 PolarHBondContact OD2-ND1 2.93Å; E192-H196 PolarHBondContact O-N 2.92Å; A193-H196 PolarHBondContact O-N 2.93Å; H196-G198 PolarHBondContact O-N 3.33Å
197L87.7Confident91Very high0 Ų051.1 Ų51.10%027%0.273CS..THydrogen-bonded Turntrans-73.3-9.3174.2-69.4165.5000112.7R82 L89 A193 M194 A195 I304 C307R82-L197 HydrophobicContact CB-CD2 4.12Å; R82-L197 HydrophobicContact CG-CD2 4.37Å; R82-L197 WeakPolarHBondContact O-CD2 3.43Å; L89-L197 HydrophobicContact CB-CD1 4.3Å; L89-L197 HydrophobicContact CD2-CD1 3.55Å; A193-L197 WeakPolarHBondContact O-CB 3.39Å; A193-L197 WeakPolarHBondContact O-CD1 3.47Å; A193-L197 VanDerWaalsContact O-CG 3.26Å; A193-L197 WeakPolarHBondContact O-CG 3.15Å; A193-L197 PolarHBondContact O-N 3.31Å; M194-L197 PolarHBondContact O-N 3.31Å; A195-L197 VanDerWaalsContact C-N 3.32Å; A195-L197 PolarHBondContact O-N 3.37Å; L197-I304 HydrophobicContact CD1-CG1 4.32Å; L197-C307 PolarHBondContact O-SG 2.94Å
198G87.5Confident91.4Very high44 Ų4450.8 Ų50.845%0.45427%0.272SS..THydrogen-bonded Turntrans92.315.4177.700000114.3M194 A195 H196 D200M194-G198 PolarHBondContact O-N 2.87Å; A195-G198 PolarHBondContact O-N 3.19Å; H196-G198 PolarHBondContact O-N 3.33Å; G198-D200 PolarHBondContact O-N 3.23Å
199I91.2Very high91.8Very high2 Ų248.8 Ų48.81%0.0126%0.257CS..  trans-79.6106.4167.7-51.5175.2000107L89 M194 R203 Q204 I207 L300 F303L89-I199 HydrophobicContact CD2-CD1 4.04Å; M194-I199 HydrophobicContact CB-CB 4.15Å; M194-I199 HydrophobicContact CB-CD1 4.15Å; M194-I199 HydrophobicContact CE-CD1 4.01Å; M194-I199 HydrophobicContact CE-CG2 4.21Å; M194-I199 HydrophobicContact CG-CD1 4.09Å; M194-I199 WeakPolarHBondContact O-CB 3.43Å; M194-I199 PolarHBondContact O-N 3.28Å; I199-R203 HydrophobicContact CG2-CB 3.65Å; I199-Q204 HydrophobicContact CB-CG 4.39Å; I199-Q204 HydrophobicContact CG2-CG 3.79Å; I199-Q204 PolarHBondContact O-NE2 3.09Å; I199-I207 HydrophobicContact CG2-CD1 3.97Å; I199-L300 HydrophobicContact CD1-CD2 4.08Å; I199-F303 HydrophobicContact CB-CE1 4.41Å; I199-F303 HydrophobicContact CD1-CD1 4.21Å; I199-F303 HydrophobicContact CD1-CE1 4.32Å; I199-F303 HydrophobicContact CG1-CD1 3.71Å; I199-F303 HydrophobicContact CG1-CE1 3.34Å; I199-F303 HydrophobicContact CG1-CZ 4Å
200D91.9Very high92.2Very high87 Ų8743.4 Ų43.447%0.46523%0.232SC..  trans-67.9166.7-179.963.74.3000112.6G198 E202 R203 Q204G198-D200 PolarHBondContact O-N 3.23Å; D200-E202 PolarHBondContact O-N 3.28Å; D200-R203 PolarHBondContact O-N 2.93Å; D200-R203 WeakPolarHBondContact OD1-CB 3.37Å; D200-R203 WeakPolarHBondContact OD1-CG 3.13Å; D200-R203 PolarHBondContact OD1-N 2.9Å; D200-Q204 WeakPolarHBondContact O-CB 3.45Å; D200-Q204 VanDerWaalsContact O-CG 3.28Å; D200-Q204 WeakPolarHBondContact O-CG 3.49Å; D200-Q204 PolarHBondContact O-N 2.95Å
201A92.5Very high92.4Very high80 Ų8043.3 Ų43.366%0.66123%0.231SC*.Hα-helixtrans-59.5-30.5-176.600000112.9R205A201-R205 WeakPolarHBondContact O-CB 3.11Å; A201-R205 PolarHBondContact O-N 3.21Å
202E92.5Very high92.6Very high99 Ų9942.3 Ų42.346%0.46323%0.225SC..Hα-helixtrans-73.7-46.7178.9-174.953.2-147.500111.8D200 Q204 R205 Q206D200-E202 PolarHBondContact O-N 3.28Å; E202-Q204 VanDerWaalsContact C-N 3.3Å; E202-Q204 PolarHBondContact O-N 2.66Å; E202-R205 WeakPolarHBondContact O-CB 3.27Å; E202-R205 PolarHBondContact O-N 2.8Å; E202-R205 IonicContact OE2-NE 3.95Å; E202-Q206 WeakPolarHBondContact O-CG 3.36Å; E202-Q206 PolarHBondContact O-N 3.42Å; E202-Q206 PolarHBondContact OE1-NE2 3.32Å
203R92.9Very high93Very high72 Ų7237.4 Ų37.427%0.27220%0.202SC..Hα-helixtrans-62.6-38.9172.7-72.2175.7173.5-122-18.2111.2I199 D200 R205 Q206 I207 E478I199-R203 HydrophobicContact CG2-CB 3.65Å; D200-R203 PolarHBondContact O-N 2.93Å; D200-R203 WeakPolarHBondContact OD1-CB 3.37Å; D200-R203 WeakPolarHBondContact OD1-CG 3.13Å; D200-R203 PolarHBondContact OD1-N 2.9Å; R203-R205 PolarHBondContact O-N 2.8Å; R203-Q206 PolarHBondContact O-N 3.18Å; R203-I207 WeakPolarHBondContact O-CD1 3.1Å; R203-I207 VanDerWaalsContact O-CG1 3.23Å; R203-I207 WeakPolarHBondContact O-CG1 3.24Å; R203-I207 PolarHBondContact O-N 3.44Å; R203-E478 IonicContact NH2-OE2 3.96Å; R203-E478 PolarHBondContact NH2-OE2 3.06Å
204Q94.2Very high93.2Very high28 Ų2837.2 Ų37.213%0.13120%0.2CC..Hα-helixtrans-57.5-48.7173.4-72.7-178.425.300111.2T191 M194 I199 D200 E202 Q206 I207 F208T191-Q204 PolarHBondContact O-NE2 3.26Å; M194-Q204 HydrophobicContact CB-CG 4.14Å; M194-Q204 HydrophobicContact CE-CG 4Å; M194-Q204 HydrophobicContact SD-CG 4.3Å; I199-Q204 HydrophobicContact CB-CG 4.39Å; I199-Q204 HydrophobicContact CG2-CG 3.79Å; I199-Q204 PolarHBondContact O-NE2 3.09Å; D200-Q204 WeakPolarHBondContact O-CB 3.45Å; D200-Q204 VanDerWaalsContact O-CG 3.28Å; D200-Q204 WeakPolarHBondContact O-CG 3.49Å; D200-Q204 PolarHBondContact O-N 2.95Å; E202-Q204 VanDerWaalsContact C-N 3.3Å; E202-Q204 PolarHBondContact O-N 2.66Å; Q204-Q206 VanDerWaalsContact C-N 3.31Å; Q204-Q206 PolarHBondContact O-N 2.83Å; Q204-I207 PolarHBondContact O-N 2.98Å; Q204-F208 HydrophobicContact CB-CD2 4.4Å; Q204-F208 HydrophobicContact CB-CE2 4.07Å; Q204-F208 WeakPolarHBondContact O-CD2 3.47Å; Q204-F208 WeakPolarHBondContact O-CG 3.5Å; Q204-F208 PolarHBondContact O-N 2.83Å
205R93.9Very high93.4Very high114 Ų11437.3 Ų37.343%0.4320%0.201SC..Hα-helixtrans-54.9-47175.6-174.1-166-67.1-88.10.4111.4D163 A201 E202 R203 F208 R209D163-R205 IonicContact OD1-NH1 3.85Å; D163-R205 PolarHBondContact OD1-NH1 2.91Å; D163-R205 VanDerWaalsContact OD2-CG 3.28Å; D163-R205 WeakPolarHBondContact OD2-CG 3.47Å; D163-R205 IonicContact OD2-NH1 2.95Å; D163-R205 PolarHBondContact OD2-NH1 2.89Å; A201-R205 WeakPolarHBondContact O-CB 3.11Å; A201-R205 PolarHBondContact O-N 3.21Å; E202-R205 WeakPolarHBondContact O-CB 3.27Å; E202-R205 PolarHBondContact O-N 2.8Å; E202-R205 IonicContact OE2-NE 3.95Å; R203-R205 PolarHBondContact O-N 2.8Å; R205-F208 PolarHBondContact O-N 3.05Å; R205-R209 WeakPolarHBondContact O-CB 3.35Å; R205-R209 WeakPolarHBondContact O-CG 3.38Å; R205-R209 PolarHBondContact O-N 3.31Å
206Q94.8Very high93.6Very high21 Ų2134.7 Ų34.710%0.09818%0.179CC..Hα-helixtrans-62.1-44179.2-68.81713.400112.3E202 R203 Q204 F208 R209 I210 L475E202-Q206 WeakPolarHBondContact O-CG 3.36Å; E202-Q206 PolarHBondContact O-N 3.42Å; E202-Q206 PolarHBondContact OE1-NE2 3.32Å; R203-Q206 PolarHBondContact O-N 3.18Å; Q204-Q206 VanDerWaalsContact C-N 3.31Å; Q204-Q206 PolarHBondContact O-N 2.83Å; Q206-F208 PolarHBondContact O-N 2.91Å; Q206-R209 PolarHBondContact O-N 3.48Å; Q206-I210 WeakPolarHBondContact O-CD1 3.44Å; Q206-I210 VanDerWaalsContact O-CG1 3.24Å; Q206-I210 WeakPolarHBondContact O-CG1 3.12Å; Q206-I210 PolarHBondContact O-N 3.46Å; Q206-L475 HydrophobicContact CB-CB 4.09Å; Q206-L475 HydrophobicContact CB-CD2 4.26Å
207I96.3Very high94Very high0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-58.5-49.3176.2-67.6163000110.4F93 M194 I199 R203 Q204 I210 L211 L296 W299 L300 L475F93-I207 HydrophobicContact CE1-CG2 4.11Å; F93-I207 HydrophobicContact CZ-CG2 3.75Å; M194-I207 HydrophobicContact CE-CB 4.42Å; M194-I207 HydrophobicContact CE-CD1 3.38Å; M194-I207 HydrophobicContact CE-CG1 4.48Å; M194-I207 HydrophobicContact CE-CG2 4.22Å; I199-I207 HydrophobicContact CG2-CD1 3.97Å; R203-I207 WeakPolarHBondContact O-CD1 3.1Å; R203-I207 VanDerWaalsContact O-CG1 3.23Å; R203-I207 WeakPolarHBondContact O-CG1 3.24Å; R203-I207 PolarHBondContact O-N 3.44Å; Q204-I207 PolarHBondContact O-N 2.98Å; I207-I210 PolarHBondContact O-N 3.45Å; I207-L211 HydrophobicContact CG2-CD1 4.23Å; I207-L211 WeakPolarHBondContact O-CG 3.46Å; I207-L211 PolarHBondContact O-N 3.19Å; I207-L296 HydrophobicContact CG1-CD1 4.24Å; I207-L296 HydrophobicContact CG2-CD1 4.46Å; I207-L296 HydrophobicContact CG2-CD2 4.34Å; I207-W299 HydrophobicContact CD1-CH2 4.35Å; I207-W299 HydrophobicContact CD1-CZ3 3.89Å; I207-W299 HydrophobicContact CG1-CZ3 4.4Å; I207-L300 HydrophobicContact CD1-CD2 4.21Å; I207-L475 HydrophobicContact CB-CD2 4.45Å; I207-L475 HydrophobicContact CD1-CD2 4.43Å; I207-L475 HydrophobicContact CG1-CD2 3.42Å; I207-L475 VanDerWaalsContact CG1-CD2 3.42Å
208F96.1Very high94.3Very high4 Ų429.7 Ų29.72%0.01816%0.157CC..Hα-helixtrans-67.9-36.2-178.8-64.7-53.1000112.7I148 M152 W164 F187 T191 M194 Q204 R205 Q206 I210 L211 A212I148-F208 HydrophobicContact CD1-CE1 4.09Å; M152-F208 HydrophobicContact CE-CB 4.08Å; M152-F208 HydrophobicContact CE-CD1 4.12Å; M152-F208 WeakPolarHBondContact CE-O 3.44Å; M152-F208 HydrophobicContact CG-CD1 3.91Å; M152-F208 HydrophobicContact CG-CE1 4.22Å; M152-F208 HydrophobicContact SD-CD1 3.78Å; M152-F208 HydrophobicContact SD-CE1 4.47Å; W164-F208 HydrophobicContact CD2-CB 4.43Å; W164-F208 HydrophobicContact CH2-CB 4.39Å; W164-F208 HydrophobicContact CH2-CG 4.34Å; W164-F208 HydrophobicContact CZ2-CB 3.61Å; W164-F208 AromaticContact CZ2-CD2 3.99Å; W164-F208 HydrophobicContact CZ2-CD2 3.99Å; W164-F208 AromaticContact CZ2-CG 3.82Å; W164-F208 HydrophobicContact CZ2-CG 3.82Å; F187-F208 HydrophobicContact CE2-CD1 4.3Å; F187-F208 AromaticContact CE2-CE1 3.61Å; F187-F208 HydrophobicContact CE2-CE1 3.61Å; F187-F208 HydrophobicContact CE2-CE2 4.37Å; F187-F208 AromaticContact CE2-CZ 3.66Å; F187-F208 HydrophobicContact CE2-CZ 3.66Å; F187-F208 HydrophobicContact CZ-CE1 4.14Å; F187-F208 HydrophobicContact CZ-CE2 4.15Å; F187-F208 AromaticContact CZ-CZ 3.88Å; F187-F208 HydrophobicContact CZ-CZ 3.88Å; T191-F208 HydrophobicContact CG2-CE2 4.13Å; T191-F208 HydrophobicContact CG2-CZ 3.93Å; M194-F208 HydrophobicContact SD-CE2 4.45Å; M194-F208 HydrophobicContact SD-CZ 3.86Å; Q204-F208 HydrophobicContact CB-CD2 4.4Å; Q204-F208 HydrophobicContact CB-CE2 4.07Å; Q204-F208 WeakPolarHBondContact O-CD2 3.47Å; Q204-F208 WeakPolarHBondContact O-CG 3.5Å; Q204-F208 PolarHBondContact O-N 2.83Å; R205-F208 PolarHBondContact O-N 3.05Å; Q206-F208 PolarHBondContact O-N 2.91Å; F208-I210 PolarHBondContact O-N 3.37Å; F208-L211 HydrophobicContact CD1-CD1 4.19Å; F208-L211 PolarHBondContact O-N 3.24Å; F208-A212 WeakPolarHBondContact O-CB 3Å; F208-A212 PolarHBondContact O-N 2.92Å
209R96.1Very high94.5Very high69 Ų6928.5 Ų28.526%0.2614%0.14SC..Hα-helixtrans-61.4-41.7171.7-76.6-177.565.5157.20.7112.2R205 Q206 A212 G213 E247 L248R205-R209 WeakPolarHBondContact O-CB 3.35Å; R205-R209 WeakPolarHBondContact O-CG 3.38Å; R205-R209 PolarHBondContact O-N 3.31Å; Q206-R209 PolarHBondContact O-N 3.48Å; R209-A212 PolarHBondContact O-N 3.35Å; R209-G213 PolarHBondContact O-N 3.25Å; R209-E247 PolarHBondContact NH2-O 2.93Å; R209-L248 HydrophobicContact CB-CD2 4.23Å; R209-L248 HydrophobicContact CG-CD2 4.09Å
210I96.8Very high94.6Very high0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-61.3-46.5175.5-66.8162.6000110.7Q206 I207 F208 A212 G213 I214 L249 V292 L296 L475 L476Q206-I210 WeakPolarHBondContact O-CD1 3.44Å; Q206-I210 VanDerWaalsContact O-CG1 3.24Å; Q206-I210 WeakPolarHBondContact O-CG1 3.12Å; Q206-I210 PolarHBondContact O-N 3.46Å; I207-I210 PolarHBondContact O-N 3.45Å; F208-I210 PolarHBondContact O-N 3.37Å; I210-A212 PolarHBondContact O-N 3.47Å; I210-G213 PolarHBondContact O-N 2.79Å; I210-I214 HydrophobicContact CG2-CD1 4.35Å; I210-I214 WeakPolarHBondContact O-CG1 3.32Å; I210-I214 PolarHBondContact O-N 2.97Å; I210-L249 HydrophobicContact CG2-CD2 4.29Å; I210-V292 HydrophobicContact CG2-CG1 3.4Å; I210-L296 HydrophobicContact CG2-CD2 4.22Å; I210-L475 HydrophobicContact CD1-CB 4.3Å; I210-L475 HydrophobicContact CD1-CD2 3.82Å; I210-L475 HydrophobicContact CD1-CG 4.09Å; I210-L476 HydrophobicContact CD1-CD1 4.4Å; I210-L476 HydrophobicContact CD1-CD2 3.72Å; I210-L476 HydrophobicContact CD1-CG 3.63Å; I210-L476 HydrophobicContact CG1-CD1 3.99Å; I210-L476 HydrophobicContact CG1-CD2 4Å; I210-L476 HydrophobicContact CG1-CG 3.78Å; I210-L476 HydrophobicContact CG2-CD2 4.15Å
211L96.8Very high94.5Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-62.6-42.2178.4-67.5173.7000112.1F93 I148 F149 M152 I207 F208 I214 L215 Y293 L296F93-L211 HydrophobicContact CE1-CD1 3.79Å; F93-L211 HydrophobicContact CE1-CD2 4.25Å; F93-L211 HydrophobicContact CE1-CG 4.48Å; F93-L211 HydrophobicContact CZ-CD1 3.94Å; I148-L211 HydrophobicContact CG1-CD1 3.61Å; I148-L211 HydrophobicContact CG2-CD1 4.32Å; F149-L211 HydrophobicContact CD1-CB 4.48Å; F149-L211 HydrophobicContact CE1-CB 4.11Å; F149-L211 HydrophobicContact CE1-CD2 3.8Å; F149-L211 HydrophobicContact CZ-CD2 4.04Å; M152-L211 HydrophobicContact CE-CB 3.87Å; M152-L211 HydrophobicContact SD-CB 3.6Å; M152-L211 HydrophobicContact SD-CD1 3.51Å; M152-L211 VanDerWaalsContact SD-CD1 3.51Å; M152-L211 HydrophobicContact SD-CG 4.22Å; I207-L211 HydrophobicContact CG2-CD1 4.23Å; I207-L211 WeakPolarHBondContact O-CG 3.46Å; I207-L211 PolarHBondContact O-N 3.19Å; F208-L211 HydrophobicContact CD1-CD1 4.19Å; F208-L211 PolarHBondContact O-N 3.24Å; L211-I214 HydrophobicContact CD2-CD1 4.48Å; L211-I214 WeakPolarHBondContact O-CB 3.41Å; L211-I214 PolarHBondContact O-N 3.34Å; L211-L215 PolarHBondContact O-N 2.93Å; L211-L215 VanDerWaalsContact O-N 3.14Å; L211-Y293 HydrophobicContact CD2-CD2 3.83Å; L211-Y293 HydrophobicContact CD2-CE2 3.69Å; L211-L296 HydrophobicContact CD2-CD2 3.94Å; L211-L296 HydrophobicContact CG-CD2 4.23Å
212A96Very high94.2Very high0 Ų022.7 Ų22.70%010%0.1CC..Hα-helixtrans-62.2-42.4173.900000111.7M152 W164 M166 F208 R209 I210 I214 L215 H216 L248M152-A212 HydrophobicContact CE-CB 4.43Å; W164-A212 HydrophobicContact CB-CB 3.78Å; W164-A212 HydrophobicContact CG-CB 4.32Å; M166-A212 HydrophobicContact CG-CB 4.37Å; M166-A212 HydrophobicContact SD-CB 3.57Å; M166-A212 VanDerWaalsContact SD-CB 3.57Å; F208-A212 WeakPolarHBondContact O-CB 3Å; F208-A212 PolarHBondContact O-N 2.92Å; R209-A212 PolarHBondContact O-N 3.35Å; I210-A212 PolarHBondContact O-N 3.47Å; A212-I214 VanDerWaalsContact C-N 3.3Å; A212-I214 PolarHBondContact O-N 3.28Å; A212-L215 PolarHBondContact O-N 2.99Å; A212-L215 VanDerWaalsContact O-N 3.08Å; A212-H216 PolarHBondContact O-CD2 3.12Å; A212-H216 VanDerWaalsContact O-CD2 3.24Å; A212-H216 PolarHBondContact O-N 2.84Å; A212-L248 HydrophobicContact CB-CD1 3.98Å
213G96.1Very high93.8Very high0 Ų020.2 Ų20.20%09%0.093CC..Hα-helixtrans-59-38.8174.600000112.9R209 I210 L217R209-G213 PolarHBondContact O-N 3.25Å; I210-G213 PolarHBondContact O-N 2.79Å; G213-L217 VanDerWaalsContact O-CB 3.29Å; G213-L217 WeakPolarHBondContact O-CB 3.41Å; G213-L217 PolarHBondContact O-N 3.2Å
214I96.6Very high92.7Very high1 Ų121.4 Ų21.41%0.00511%0.113CC..Hα-helixtrans-61.9-44.1172.7-68.1167.5000110.9V136 F149 W174 I210 L211 A212 L217 G218 A289 V292 Y293V136-I214 HydrophobicContact CG1-CG2 3.83Å; F149-I214 HydrophobicContact CE1-CG2 4.34Å; F149-I214 HydrophobicContact CZ-CG2 4.17Å; W174-I214 HydrophobicContact CE3-CG2 4.1Å; W174-I214 HydrophobicContact CZ3-CG2 3.92Å; W174-I214 WeakPolarHBondContact CZ3-O 3.46Å; I210-I214 HydrophobicContact CG2-CD1 4.35Å; I210-I214 WeakPolarHBondContact O-CG1 3.32Å; I210-I214 PolarHBondContact O-N 2.97Å; L211-I214 HydrophobicContact CD2-CD1 4.48Å; L211-I214 WeakPolarHBondContact O-CB 3.41Å; L211-I214 PolarHBondContact O-N 3.34Å; A212-I214 VanDerWaalsContact C-N 3.3Å; A212-I214 PolarHBondContact O-N 3.28Å; I214-L217 WeakPolarHBondContact O-CB 3.45Å; I214-L217 PolarHBondContact O-N 2.96Å; I214-G218 PolarHBondContact O-N 3.36Å; I214-G218 VanDerWaalsContact O-N 3.13Å; I214-A289 HydrophobicContact CG2-CB 4Å; I214-V292 HydrophobicContact CD1-CB 4.35Å; I214-V292 HydrophobicContact CD1-CG1 3.96Å; I214-V292 HydrophobicContact CG1-CG1 4.27Å; I214-Y293 HydrophobicContact CD1-CD2 4.15Å
215L94.8Very high91.3Very high1 Ų122.2 Ų22.21%0.00512%0.121CC..Hα-helixtrans-65.1-45179.9-67.4179000112.3F149 M166 F172 L175 L211 A212 L217 G218F149-L215 HydrophobicContact CB-CD2 4.43Å; F149-L215 HydrophobicContact CD1-CD1 3.9Å; F149-L215 HydrophobicContact CD1-CD2 3.61Å; F149-L215 HydrophobicContact CD1-CG 3.72Å; F149-L215 HydrophobicContact CE1-CD2 3.96Å; F149-L215 HydrophobicContact CE1-CG 4.03Å; F149-L215 HydrophobicContact CG-CD2 4.1Å; M166-L215 HydrophobicContact CE-CD1 3.59Å; M166-L215 HydrophobicContact SD-CD1 4.32Å; F172-L215 HydrophobicContact CD1-CB 3.67Å; F172-L215 WeakPolarHBondContact CD1-O 3.24Å; F172-L215 HydrophobicContact CE1-CB 3.82Å; F172-L215 HydrophobicContact CG-CB 4.1Å; F172-L215 HydrophobicContact CZ-CB 4.38Å; L175-L215 HydrophobicContact CD1-CD1 3.5Å; L175-L215 VanDerWaalsContact CD1-CD1 3.5Å; L175-L215 HydrophobicContact CD1-CD2 3.46Å; L175-L215 VanDerWaalsContact CD1-CD2 3.46Å; L175-L215 HydrophobicContact CD1-CG 4.08Å; L175-L215 HydrophobicContact CG-CD2 3.9Å; L211-L215 PolarHBondContact O-N 2.93Å; L211-L215 VanDerWaalsContact O-N 3.14Å; A212-L215 PolarHBondContact O-N 2.99Å; A212-L215 VanDerWaalsContact O-N 3.08Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 3.15Å; L215-G218 PolarHBondContact O-N 2.93Å; L215-G218 VanDerWaalsContact O-N 3.11Å
216H95.2Very high89.7Confident0 Ų023.8 Ų23.80%014%0.144CC..Hα-helixtrans-61.2-40.9174.6-77.6-70.6000111.9W164 M165 F172 A212 G218 N219 F241 R244 A245 L248W164-H216 PolarHBondContact O-NE2 3.27Å; M165-H216 PolarHBondContact O-CE1 3.18Å; M165-H216 PolarHBondContact O-NE2 3.03Å; F172-H216 AromaticContact CE1-CE1 3.99Å; F172-H216 AromaticContact CE1-ND1 3.89Å; A212-H216 PolarHBondContact O-CD2 3.12Å; A212-H216 VanDerWaalsContact O-CD2 3.24Å; A212-H216 PolarHBondContact O-N 2.84Å; H216-G218 PolarHBondContact O-N 3.06Å; H216-N219 PolarHBondContact O-N 3.2Å; H216-N219 VanDerWaalsContact O-N 3.08Å; H216-F241 AromaticContact ND1-CD1 3.5Å; H216-R244 PolarHBondContact CE1-NE 2.9Å; H216-R244 PolarHBondContact ND1-NE 3.42Å; H216-A245 HydrophobicContact CB-CB 4.06Å; H216-L248 VanDerWaalsContact CD2-CD1 3.43Å; H216-L248 WeakPolarHBondContact CD2-CD1 3.5Å
217L94.8Very high88Confident1 Ų124.8 Ų24.81%0.00515%0.153CC..Hα-helixtrans-58-35.3175-176.865.9000111.9W174 G213 I214 L215 N219 V220 A245 L260 R285 L288 A289W174-L217 HydrophobicContact CH2-CG 4.45Å; G213-L217 VanDerWaalsContact O-CB 3.29Å; G213-L217 WeakPolarHBondContact O-CB 3.41Å; G213-L217 PolarHBondContact O-N 3.2Å; I214-L217 WeakPolarHBondContact O-CB 3.45Å; I214-L217 PolarHBondContact O-N 2.96Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 3.15Å; L217-N219 PolarHBondContact O-N 3.46Å; L217-V220 HydrophobicContact CD1-CG2 4.48Å; L217-V220 WeakPolarHBondContact O-CB 3.29Å; L217-V220 PolarHBondContact O-N 3Å; L217-V220 VanDerWaalsContact O-N 3.17Å; L217-A245 HydrophobicContact CB-CB 4.27Å; L217-L260 HydrophobicContact CD1-CD1 4.14Å; L217-R285 HydrophobicContact CD1-CG 3.93Å; L217-R285 HydrophobicContact CD2-CG 4.43Å; L217-R285 HydrophobicContact CG-CG 3.81Å; L217-R285 VanDerWaalsContact O-CD 3.3Å; L217-R285 WeakPolarHBondContact O-CD 3.43Å; L217-L288 HydrophobicContact CD1-CD2 4.46Å; L217-L288 HydrophobicContact CD2-CB 4.08Å; L217-L288 HydrophobicContact CD2-CD2 3.74Å; L217-L288 HydrophobicContact CD2-CG 3.94Å; L217-A289 HydrophobicContact CD2-CB 4.3Å
218G93.1Very high86.4Confident1 Ų133.9 Ų33.91%0.0120%0.195CC..Hα-helixtrans-63.3-26.3177.400000114.9W174 I214 L215 H216 V220 R285W174-G218 VanDerWaalsContact CD2-CA 3.47Å; W174-G218 VanDerWaalsContact CE3-CA 3.46Å; W174-G218 VanDerWaalsContact CZ3-CA 3.5Å; I214-G218 PolarHBondContact O-N 3.36Å; I214-G218 VanDerWaalsContact O-N 3.13Å; L215-G218 PolarHBondContact O-N 2.93Å; L215-G218 VanDerWaalsContact O-N 3.11Å; H216-G218 PolarHBondContact O-N 3.06Å; G218-V220 VanDerWaalsContact C-N 3.32Å; G218-R285 PolarHBondContact O-NH1 3.16Å
219N93Very high84.8Confident18 Ų1838.2 Ų38.210%0.09623%0.226CC..THydrogen-bonded Turntrans-82.9-7.3177.7-73.81.8000113.4Q170 G171 F172 V173 H216 L217 S221 F241Q170-N219 PolarHBondContact NE2-ND2 3.03Å; G171-N219 PolarHBondContact O-ND2 3.49Å; F172-N219 WeakPolarHBondContact CA-OD1 3.46Å; V173-N219 WeakPolarHBondContact CG2-OD1 3.2Å; V173-N219 PolarHBondContact N-OD1 3.21Å; H216-N219 PolarHBondContact O-N 3.2Å; H216-N219 VanDerWaalsContact O-N 3.08Å; L217-N219 PolarHBondContact O-N 3.46Å; N219-S221 PolarHBondContact O-N 3.24Å; N219-F241 HydrophobicContact CB-CB 4.25Å; N219-F241 HydrophobicContact CB-CD1 3.81Å; N219-F241 HydrophobicContact CB-CD2 3.83Å; N219-F241 HydrophobicContact CB-CE1 4.15Å; N219-F241 HydrophobicContact CB-CE2 4.16Å; N219-F241 HydrophobicContact CB-CG 3.68Å; N219-F241 HydrophobicContact CB-CZ 4.34Å; N219-F241 WeakPolarHBondContact ND2-CE1 3.26Å
220V92.3Very high83.4Confident0 Ų040.5 Ų40.50%024%0.24CC..  trans-72.9115.6177.1-179.70000109.9L217 G218 F222 L234 F241 L242 R285L217-V220 HydrophobicContact CD1-CG2 4.48Å; L217-V220 WeakPolarHBondContact O-CB 3.29Å; L217-V220 PolarHBondContact O-N 3Å; L217-V220 VanDerWaalsContact O-N 3.17Å; G218-V220 VanDerWaalsContact C-N 3.32Å; V220-F222 HydrophobicContact CG1-CE1 4.35Å; V220-F222 HydrophobicContact CG1-CZ 4.07Å; V220-L234 HydrophobicContact CG1-CD2 3.86Å; V220-F241 HydrophobicContact CG2-CB 4.15Å; V220-L242 HydrophobicContact CG1-CD1 4.29Å; V220-L242 HydrophobicContact CG2-CB 4.14Å; V220-L242 HydrophobicContact CG2-CD1 4.06Å; V220-R285 WeakPolarHBondContact O-CD 3.45Å; V220-R285 PolarHBondContact O-NH1 3.45Å
221S89.1Confident82.1Confident38 Ų3842.8 Ų42.827%0.26626%0.255SS..  trans-109.3151.9174.4610000111.8N219 D235 S238N219-S221 PolarHBondContact O-N 3.24Å; S221-D235 PolarHBondContact O-N 3.28Å; S221-D235 WeakPolarHBondContact OG-CB 3.45Å; S221-D235 PolarHBondContact OG-OD2 3.37Å; S221-S238 PolarHBondContact N-OG 3.45Å; S221-S238 PolarHBondContact O-OG 2.93Å; S221-S238 PolarHBondContact OG-OG 2.81Å
222F87.6Confident81Confident10 Ų1042.9 Ų42.94%0.04426%0.255CS..BIsolated β-bridgetrans-118.2139.7-179.1-54.9-83.6000110.6V220 L234 L260 R261 R278 C281 R285V220-F222 HydrophobicContact CG1-CE1 4.35Å; V220-F222 HydrophobicContact CG1-CZ 4.07Å; F222-L234 HydrophobicContact CD1-CD2 3.8Å; F222-L234 HydrophobicContact CE1-CD2 3.7Å; F222-L260 HydrophobicContact CE1-CB 4.4Å; F222-L260 HydrophobicContact CZ-CB 4.18Å; F222-L260 HydrophobicContact CZ-CD1 4.31Å; F222-R261 HydrophobicContact CE1-CG 4.38Å; F222-R278 HydrophobicContact CB-CG 4.21Å; F222-R278 WeakPolarHBondContact O-CD 3.4Å; F222-R278 PolarHBondContact O-NE 3.4Å; F222-C281 HydrophobicContact CB-CB 4.42Å; F222-C281 HydrophobicContact CD1-CB 3.82Å; F222-C281 HydrophobicContact CD2-CB 3.57Å; F222-C281 HydrophobicContact CE1-CB 3.89Å; F222-C281 HydrophobicContact CE2-CB 3.65Å; F222-C281 HydrophobicContact CG-CB 3.67Å; F222-C281 HydrophobicContact CZ-CB 3.81Å; F222-R285 HydrophobicContact CE2-CB 4.28Å
223C82.9Confident80.3Confident47 Ų4747.3 Ų47.332%0.31828%0.279SS..PPolyproline II helixtrans-85.2157.1174.9-64.90000111.6S225 C232 D233C223-S225 PolarHBondContact O-N 2.93Å; C223-C232 WeakPolarHBondContact O-CB 3.33Å; C223-D233 PolarHBondContact N-O 2.7Å
224S70.6Confident79.5Confident97 Ų9748.9 Ų48.968%0.67829%0.287SS*.PPolyproline II helixtrans-70.4125.3170.847.70000110
225S64.3Low78.7Confident45 Ų4552.1 Ų52.132%0.31531%0.305SS..PPolyproline II helixtrans-69.3148.1176.259.60000111.4C223 S227C223-S225 PolarHBondContact O-N 2.93Å; S225-S227 VanDerWaalsContact C-N 3.28Å; S225-S227 WeakPolarHBondContact CB-O 3.36Å; S225-S227 PolarHBondContact OG-O 3.3Å
226T59.9Low77.6Confident147 Ų14760.4 Ų60.490%0.90234%0.343SS*.SBendtrans-76.7-15.8177.2-22.70000112.4
227S60.2Low76.7Confident41 Ų4167 Ų6729%0.28737%0.374SS..SBendtrans-145.2152.7173.673.50000111.9S225 S229S225-S227 VanDerWaalsContact C-N 3.28Å; S225-S227 WeakPolarHBondContact CB-O 3.36Å; S225-S227 PolarHBondContact OG-O 3.3Å; S227-S229 PolarHBondContact O-N 3.03Å; S227-S229 PolarHBondContact OG-OG 3.31Å
228E61.6Low76.2Confident191 Ų19167 Ų6789%0.89337%0.374SS*.THydrogen-bonded Turntrans-72.5-12.7177.9-68.7-164.4165.300113.9
229S62.3Low75.9Confident96 Ų9673.2 Ų73.267%0.67140%0.403SS*.THydrogen-bonded Turntrans-91.8-10-178.2570000113.8S227S227-S229 PolarHBondContact O-N 3.03Å; S227-S229 PolarHBondContact OG-OG 3.31Å
230Q67.1Low75.8Confident116 Ų11676.4 Ų76.454%0.54242%0.42SS..SBendtrans-107.2142.5177.6-71.2-174.3-18.300111.6
231P70.4Confident75.8Confident49 Ų4977.6 Ų77.632%0.31843%0.425SS..PPolyproline II helixtrans-65.3135.3176.726.9-31.9000111.1D233 R261 V262 P275P231-D233 PolarHBondContact O-N 3.13Å; P231-R261 HydrophobicContact CB-CB 4.14Å; P231-R261 PolarHBondContact O-NH2 3.38Å; P231-V262 HydrophobicContact CB-CG2 4.44Å; P231-P275 HydrophobicContact CB-CB 4.45Å
232C74.3Confident76Confident1 Ų176.2 Ų76.21%0.00742%0.415CS..PPolyproline II helixtrans-57.1129.4179.5-65.70000112.1C223 R261 C276 R278C223-C232 WeakPolarHBondContact O-CB 3.33Å; C232-R261 WeakPolarHBondContact O-CD 3.37Å; C232-R261 PolarHBondContact O-NE 3.44Å; C232-R261 PolarHBondContact O-NH2 3.31Å; C232-R261 VanDerWaalsContact O-NH2 3.1Å; C232-C276 PolarHBondContact SG-O 3.3Å; C232-C276 VanDerWaalsContact SG-O 3.34Å; C232-R278 PolarHBondContact SG-N 3.47Å; C232-R278 VanDerWaalsContact SG-N 3.43Å
233D79.8Confident76.3Confident93 Ų9381.2 Ų81.250%0.49744%0.438SS..PPolyproline II helixtrans-73157178.1-64.6-43.1000112.5C223 P231 R261C223-D233 PolarHBondContact N-O 2.7Å; P231-D233 PolarHBondContact O-N 3.13Å; D233-R261 IonicContact OD1-CZ 3.89Å; D233-R261 IonicContact OD1-NH2 2.67Å; D233-R261 PolarHBondContact OD1-NH2 3.43Å
234L80.3Confident76.9Confident34 Ų3482 Ų8218%0.17843%0.434CS..BIsolated β-bridgetrans-76.9151.7172.2-63.7172.9000109.6V220 F222 L242V220-L234 HydrophobicContact CG1-CD2 3.86Å; F222-L234 HydrophobicContact CD1-CD2 3.8Å; F222-L234 HydrophobicContact CE1-CD2 3.7Å; L234-L242 HydrophobicContact CD1-CD2 3.62Å
235D79Confident78Confident69 Ų6977.3 Ų77.337%0.36940%0.402SS..PPolyproline II helixtrans-68.9154.3169.8-159.6-2.9000111S221 H237 S238S221-D235 PolarHBondContact O-N 3.28Å; S221-D235 WeakPolarHBondContact OG-CB 3.45Å; S221-D235 PolarHBondContact OG-OD2 3.37Å; D235-H237 PolarHBondContact O-N 3.06Å; D235-H237 VanDerWaalsContact O-N 3.12Å; D235-S238 WeakPolarHBondContact O-CB 3.31Å; D235-S238 PolarHBondContact O-N 3.38Å
236Q72.5Confident79.5Confident175 Ų17575.2 Ų75.282%0.81839%0.387SS*.THydrogen-bonded Turntrans-57.3-34.1-172-85.5178.3-17.500113.7
237H76.1Confident81.2Confident137 Ų13773.2 Ų73.263%0.63437%0.367SS*.THydrogen-bonded Turntrans-89.3-9.1178.2-63.6-62.2000113.7D235 F241D235-H237 PolarHBondContact O-N 3.06Å; D235-H237 VanDerWaalsContact O-N 3.12Å; H237-F241 WeakPolarHBondContact O-CD2 3.49Å; H237-F241 WeakPolarHBondContact O-CE2 3.35Å
238S85.1Confident82.9Confident2 Ų271.2 Ų71.21%0.01435%0.354CS..Hα-helixtrans-82.9-20.7-174.1-740000113.9S221 D235 F241 L242S221-S238 PolarHBondContact N-OG 3.45Å; S221-S238 PolarHBondContact O-OG 2.93Å; S221-S238 PolarHBondContact OG-OG 2.81Å; D235-S238 WeakPolarHBondContact O-CB 3.31Å; D235-S238 PolarHBondContact O-N 3.38Å; S238-F241 PolarHBondContact O-N 3.16Å; S238-L242 WeakPolarHBondContact O-CB 3.43Å; S238-L242 PolarHBondContact O-N 3.19Å
239E86.4Confident84.5Confident132 Ų13262.2 Ų62.262%0.61731%0.312SS*.Hα-helixtrans-63.3-45.1179.1-169.4164.3-157.600111.4F241 L242 Q243E239-F241 PolarHBondContact O-N 2.91Å; E239-L242 PolarHBondContact O-N 3.34Å; E239-Q243 PolarHBondContact O-N 3.47Å
240D90.2Very high86Confident84 Ų8458.2 Ų58.245%0.44929%0.285SS..Hα-helixtrans-60.1-44.1175.3-66.4-16.5000112.2L242 Q243 R244D240-L242 VanDerWaalsContact C-N 3.34Å; D240-Q243 PolarHBondContact O-N 2.91Å; D240-R244 WeakPolarHBondContact O-CG 3.35Å; D240-R244 PolarHBondContact O-N 3.15Å
241F92.4Very high87.3Confident26 Ų2653 Ų5311%0.11426%0.262CS..Hα-helixtrans-66.3-37.1178.2-70.5-65.5000112Q170 H216 N219 V220 H237 S238 E239 A245Q170-F241 VanDerWaalsContact NE2-CZ 3.28Å; H216-F241 AromaticContact ND1-CD1 3.5Å; N219-F241 HydrophobicContact CB-CB 4.25Å; N219-F241 HydrophobicContact CB-CD1 3.81Å; N219-F241 HydrophobicContact CB-CD2 3.83Å; N219-F241 HydrophobicContact CB-CE1 4.15Å; N219-F241 HydrophobicContact CB-CE2 4.16Å; N219-F241 HydrophobicContact CB-CG 3.68Å; N219-F241 HydrophobicContact CB-CZ 4.34Å; N219-F241 WeakPolarHBondContact ND2-CE1 3.26Å; V220-F241 HydrophobicContact CG2-CB 4.15Å; H237-F241 WeakPolarHBondContact O-CD2 3.49Å; H237-F241 WeakPolarHBondContact O-CE2 3.35Å; S238-F241 PolarHBondContact O-N 3.16Å; E239-F241 PolarHBondContact O-N 2.91Å; F241-A245 VanDerWaalsContact O-CB 3.26Å; F241-A245 WeakPolarHBondContact O-CB 3.39Å; F241-A245 PolarHBondContact O-N 3.43Å
242L93.1Very high88.5Confident8 Ų853.9 Ų53.94%0.04227%0.268CS..Hα-helixtrans-67.2-40.9176.3-170.474.3000111.4V220 L234 S238 E239 D240 A245 G246 L256 C257 L260V220-L242 HydrophobicContact CG1-CD1 4.29Å; V220-L242 HydrophobicContact CG2-CB 4.14Å; V220-L242 HydrophobicContact CG2-CD1 4.06Å; L234-L242 HydrophobicContact CD1-CD2 3.62Å; S238-L242 WeakPolarHBondContact O-CB 3.43Å; S238-L242 PolarHBondContact O-N 3.19Å; E239-L242 PolarHBondContact O-N 3.34Å; D240-L242 VanDerWaalsContact C-N 3.34Å; L242-A245 PolarHBondContact O-N 3.36Å; L242-G246 PolarHBondContact O-N 3.41Å; L242-L256 HydrophobicContact CD1-CD2 3.73Å; L242-L256 HydrophobicContact CD1-CG 3.91Å; L242-L256 HydrophobicContact CG-CD2 4.33Å; L242-C257 HydrophobicContact CD2-CB 3.57Å; L242-L260 HydrophobicContact CD1-CD1 3.98Å
243Q93.9Very high89.3Confident116 Ų11655.4 Ų55.454%0.54228%0.28SS..Hα-helixtrans-63-48.5176.6-172.3173.42.900111.1E239 D240 A245 G246 E247E239-Q243 PolarHBondContact O-N 3.47Å; D240-Q243 PolarHBondContact O-N 2.91Å; Q243-A245 VanDerWaalsContact C-N 3.34Å; Q243-A245 PolarHBondContact O-N 3.25Å; Q243-G246 PolarHBondContact O-N 3Å; Q243-E247 PolarHBondContact O-N 3.27Å
244R94.8Very high89.8Confident62 Ų6259.2 Ų59.223%0.23430%0.295CS..Hα-helixtrans-58.4-44.5174.2-71.1-170.1-78.1-97.6-1.7112.1M165 H216 D240 G246 E247 L248M165-R244 HydrophobicContact CB-CG 4.38Å; M165-R244 HydrophobicContact SD-CB 4.06Å; M165-R244 HydrophobicContact SD-CG 3.69Å; H216-R244 PolarHBondContact CE1-NE 2.9Å; H216-R244 PolarHBondContact ND1-NE 3.42Å; D240-R244 WeakPolarHBondContact O-CG 3.35Å; D240-R244 PolarHBondContact O-N 3.15Å; R244-G246 PolarHBondContact O-N 2.95Å; R244-E247 PolarHBondContact O-N 2.95Å; R244-L248 WeakPolarHBondContact O-CB 3.5Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 3.41Å
245A95.2Very high90.4Very high0 Ų060.5 Ų60.50%030%0.3CS..Hα-helixtrans-62.6-41.7177.300000112H216 L217 F241 L242 Q243 L249 L256H216-A245 HydrophobicContact CB-CB 4.06Å; L217-A245 HydrophobicContact CB-CB 4.27Å; F241-A245 VanDerWaalsContact O-CB 3.26Å; F241-A245 WeakPolarHBondContact O-CB 3.39Å; F241-A245 PolarHBondContact O-N 3.43Å; L242-A245 PolarHBondContact O-N 3.36Å; Q243-A245 VanDerWaalsContact C-N 3.34Å; Q243-A245 PolarHBondContact O-N 3.25Å; A245-L249 VanDerWaalsContact O-CB 3.26Å; A245-L249 WeakPolarHBondContact O-CB 3.25Å; A245-L249 VanDerWaalsContact O-CG 3.23Å; A245-L249 WeakPolarHBondContact O-CG 3.21Å; A245-L249 PolarHBondContact O-N 2.82Å; A245-L256 HydrophobicContact CB-CD2 4.47Å
246G95.1Very high91Very high0 Ų057.2 Ų57.20%028%0.282CS..Hα-helixtrans-59.1-49.6174.500000112.2L242 Q243 R244 L248 L249 G250 V251L242-G246 PolarHBondContact O-N 3.41Å; Q243-G246 PolarHBondContact O-N 3Å; R244-G246 PolarHBondContact O-N 2.95Å; G246-L248 PolarHBondContact O-N 2.83Å; G246-L249 CarbonylContact O-C 3.5Å; G246-L249 PolarHBondContact O-N 2.72Å; G246-G250 PolarHBondContact O-N 3.26Å; G246-V251 CarbonylContact C-O 3.56Å; G246-V251 VanDerWaalsContact C-O 3.25Å; G246-V251 VanDerWaalsContact CA-O 3.29Å; G246-V251 WeakPolarHBondContact CA-O 3.41Å; G246-V251 PolarHBondContact O-N 2.85Å; G246-V251 VanDerWaalsContact O-O 3.06Å
247E95.6Very high91.9Very high105 Ų10549.7 Ų49.749%0.49125%0.249SC..Hα-helixtrans-64.5-40.3-180-173.2174.6166.900113.3M165 R209 Q243 R244 G250M165-E247 HydrophobicContact CE-CG 4.11Å; M165-E247 WeakPolarHBondContact CE-OE1 3.33Å; M165-E247 VanDerWaalsContact CE-OE2 3.25Å; M165-E247 WeakPolarHBondContact CE-OE2 3.37Å; R209-E247 PolarHBondContact NH2-O 2.93Å; Q243-E247 PolarHBondContact O-N 3.27Å; R244-E247 PolarHBondContact O-N 2.95Å; E247-G250 PolarHBondContact O-N 3.33Å
248L95.7Very high92.6Very high0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-71.5-37.3179.1-71.3168.1000112.6W164 R209 A212 H216 R244 G246 G250W164-L248 WeakPolarHBondContact O-CD1 3.41Å; R209-L248 HydrophobicContact CB-CD2 4.23Å; R209-L248 HydrophobicContact CG-CD2 4.09Å; A212-L248 HydrophobicContact CB-CD1 3.98Å; H216-L248 VanDerWaalsContact CD2-CD1 3.43Å; H216-L248 WeakPolarHBondContact CD2-CD1 3.5Å; R244-L248 WeakPolarHBondContact O-CB 3.5Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 3.41Å; G246-L248 PolarHBondContact O-N 2.83Å; L248-G250 VanDerWaalsContact C-N 3.25Å
249L95.2Very high92.8Very high1 Ų148.5 Ų48.51%0.00524%0.239CC..THydrogen-bonded Turntrans-81.6-2.5174-63.3174.3000112.7I210 A245 G246 V251 S471 L476I210-L249 HydrophobicContact CG2-CD2 4.29Å; A245-L249 VanDerWaalsContact O-CB 3.26Å; A245-L249 WeakPolarHBondContact O-CB 3.25Å; A245-L249 VanDerWaalsContact O-CG 3.23Å; A245-L249 WeakPolarHBondContact O-CG 3.21Å; A245-L249 PolarHBondContact O-N 2.82Å; G246-L249 CarbonylContact O-C 3.5Å; G246-L249 PolarHBondContact O-N 2.72Å; L249-V251 VanDerWaalsContact C-N 3.33Å; L249-V251 HydrophobicContact CB-CG2 4.12Å; L249-V251 PolarHBondContact O-N 3.1Å; L249-S471 PolarHBondContact O-OG 3.38Å; L249-L476 HydrophobicContact CB-CD1 4.22Å; L249-L476 HydrophobicContact CD2-CD1 4Å; L249-L476 VanDerWaalsContact O-CD1 3.32Å; L249-L476 WeakPolarHBondContact O-CD1 3.45Å
250G94.1Very high93Very high12 Ų1242.2 Ų42.212%0.12421%0.21CC..THydrogen-bonded Turntrans62.833.9-179.200000113.7G246 E247 L248 S471 D472G246-G250 PolarHBondContact O-N 3.26Å; E247-G250 PolarHBondContact O-N 3.33Å; L248-G250 VanDerWaalsContact C-N 3.25Å; G250-S471 CarbonylContact O-C 3.57Å; G250-S471 VanDerWaalsContact O-CA 3.23Å; G250-S471 WeakPolarHBondContact O-CA 3.4Å; G250-D472 PolarHBondContact O-N 2.84Å
251V94.7Very high93Very high7 Ų740.2 Ų40.24%0.04220%0.196CC..SBendtrans-123.6144.9179.1-63.50000111G246 L249 A253 L256 L467G246-V251 CarbonylContact C-O 3.56Å; G246-V251 VanDerWaalsContact C-O 3.25Å; G246-V251 VanDerWaalsContact CA-O 3.29Å; G246-V251 WeakPolarHBondContact CA-O 3.41Å; G246-V251 PolarHBondContact O-N 2.85Å; G246-V251 VanDerWaalsContact O-O 3.06Å; L249-V251 VanDerWaalsContact C-N 3.33Å; L249-V251 HydrophobicContact CB-CG2 4.12Å; L249-V251 PolarHBondContact O-N 3.1Å; V251-A253 PolarHBondContact O-N 3.01Å; V251-L256 HydrophobicContact CG2-CB 4.28Å; V251-L256 HydrophobicContact CG2-CD2 4.32Å; V251-L467 HydrophobicContact CB-CD1 4.13Å; V251-L467 HydrophobicContact CB-CG 4.24Å; V251-L467 HydrophobicContact CG1-CD1 4.4Å; V251-L467 HydrophobicContact CG1-CG 4.14Å; V251-L467 HydrophobicContact CG2-CD2 4.44Å
252P94.4Very high92.7Very high68 Ų6840 Ų4044%0.44220%0.197SC..  trans-59.9126.3177.6-22.832.9000111.5E254 E255 L256P252-E254 PolarHBondContact O-N 3.12Å; P252-E255 HydrophobicContact CB-CB 4.25Å; P252-E255 HydrophobicContact CB-CG 4.22Å; P252-E255 HydrophobicContact CG-CG 4.49Å; P252-E255 PolarHBondContact O-N 3.32Å; P252-E255 VanDerWaalsContact O-N 3.08Å; P252-L256 PolarHBondContact O-N 3.32Å
253A92.1Very high92.3Very high33 Ų3342.7 Ų42.727%0.27321%0.206SC..Hα-helixtrans-58.8-35.5-176.500000112.7V251 L256 C257V251-A253 PolarHBondContact O-N 3.01Å; A253-L256 PolarHBondContact O-N 2.94Å; A253-C257 WeakPolarHBondContact O-CB 3.45Å; A253-C257 PolarHBondContact O-N 3.28Å
254E90.6Very high91.8Very high172 Ų17239 Ų3980%0.80419%0.192SC*.Hα-helixtrans-65-43.8175.6-64.3-177.4-178.400112.4P252 C257 R258P252-E254 PolarHBondContact O-N 3.12Å; E254-C257 WeakPolarHBondContact O-CB 3.29Å; E254-C257 PolarHBondContact O-N 3.32Å; E254-R258 WeakPolarHBondContact O-CB 3.16Å; E254-R258 PolarHBondContact O-N 2.76Å
255E91.3Very high91.1Very high61 Ų6139.7 Ų39.729%0.28520%0.2SC..Hα-helixtrans-66.4-40.9176.2-71.2-156176.800111P252 R258 C259 L467 K470P252-E255 HydrophobicContact CB-CB 4.25Å; P252-E255 HydrophobicContact CB-CG 4.22Å; P252-E255 HydrophobicContact CG-CG 4.49Å; P252-E255 PolarHBondContact O-N 3.32Å; P252-E255 VanDerWaalsContact O-N 3.08Å; E255-R258 PolarHBondContact O-N 3.17Å; E255-C259 WeakPolarHBondContact O-CB 3.41Å; E255-C259 PolarHBondContact O-N 2.77Å; E255-C259 PolarHBondContact O-SG 3.37Å; E255-C259 VanDerWaalsContact O-SG 3.35Å; E255-L467 HydrophobicContact CB-CD1 3.69Å; E255-K470 IonicContact OE1-NZ 3.93Å; E255-K470 PolarHBondContact OE1-NZ 3.46Å; E255-K470 IonicContact OE2-NZ 2.72Å; E255-K470 PolarHBondContact OE2-NZ 2.98Å; E255-K470 VanDerWaalsContact OE2-NZ 3.16Å
256L92.4Very high90Very high0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-59.2-49.1174.4178.461.6000111.1L242 A245 V251 P252 A253 R258 C259 L260 L288 L467L242-L256 HydrophobicContact CD1-CD2 3.73Å; L242-L256 HydrophobicContact CD1-CG 3.91Å; L242-L256 HydrophobicContact CG-CD2 4.33Å; A245-L256 HydrophobicContact CB-CD2 4.47Å; V251-L256 HydrophobicContact CG2-CB 4.28Å; V251-L256 HydrophobicContact CG2-CD2 4.32Å; P252-L256 PolarHBondContact O-N 3.32Å; A253-L256 PolarHBondContact O-N 2.94Å; L256-R258 PolarHBondContact O-N 3.33Å; L256-C259 PolarHBondContact O-N 2.98Å; L256-L260 HydrophobicContact CD1-CD1 4.24Å; L256-L260 HydrophobicContact CD1-CG 4.39Å; L256-L260 HydrophobicContact CG-CD1 4.3Å; L256-L260 WeakPolarHBondContact O-CG 3.44Å; L256-L260 PolarHBondContact O-N 3.33Å; L256-L288 HydrophobicContact CD1-CD2 3.48Å; L256-L288 VanDerWaalsContact CD1-CD2 3.48Å; L256-L467 HydrophobicContact CB-CD2 4.11Å; L256-L467 HydrophobicContact CD1-CD2 3.59Å; L256-L467 HydrophobicContact CG-CD2 4.47Å
257C91.3Very high89.1Confident18 Ų1850.8 Ų50.812%0.12226%0.26CS..Hα-helixtrans-55-50.7175.9-166.80000111.5L242 A253 E254 C259 L260 R261L242-C257 HydrophobicContact CD2-CB 3.57Å; A253-C257 WeakPolarHBondContact O-CB 3.45Å; A253-C257 PolarHBondContact O-N 3.28Å; E254-C257 WeakPolarHBondContact O-CB 3.29Å; E254-C257 PolarHBondContact O-N 3.32Å; C257-C259 PolarHBondContact O-N 3.48Å; C257-L260 PolarHBondContact O-N 2.88Å; C257-R261 WeakPolarHBondContact O-CB 3.34Å; C257-R261 WeakPolarHBondContact O-CG 3.37Å; C257-R261 PolarHBondContact O-N 3.06Å; C257-R261 WeakPolarHBondContact SG-CD 3.46Å
258R90.3Very high88.2Confident110 Ų11049.6 Ų49.642%0.41528%0.275SS..Hα-helixtrans-60.8-44.1-179.8-171.1-172.665.874.55.5111.6E254 E255 L256 L260 R261 V262E254-R258 WeakPolarHBondContact O-CB 3.16Å; E254-R258 PolarHBondContact O-N 2.76Å; E255-R258 PolarHBondContact O-N 3.17Å; L256-R258 PolarHBondContact O-N 3.33Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 3.18Å; R258-R261 PolarHBondContact O-N 2.85Å; R258-V262 WeakPolarHBondContact O-CB 3.45Å; R258-V262 PolarHBondContact O-N 2.93Å
259C90.1Very high87.2Confident3 Ų360 Ų602%0.0232%0.32CS..Hα-helixtrans-66.7-28179.3-77.60000113.2E255 L256 C257 R284 L464 L467E255-C259 WeakPolarHBondContact O-CB 3.41Å; E255-C259 PolarHBondContact O-N 2.77Å; E255-C259 PolarHBondContact O-SG 3.37Å; E255-C259 VanDerWaalsContact O-SG 3.35Å; L256-C259 PolarHBondContact O-N 2.98Å; C257-C259 PolarHBondContact O-N 3.48Å; C259-R284 VanDerWaalsContact O-CZ 3.23Å; C259-R284 PolarHBondContact O-NE 2.83Å; C259-R284 PolarHBondContact O-NH2 3.08Å; C259-L464 HydrophobicContact CB-CD2 4.11Å; C259-L467 HydrophobicContact CB-CD2 4.29Å
260L90.3Very high86.3Confident1 Ų166.9 Ų66.91%0.00535%0.353CS..Hα-helixtrans-78.7-36.1174.4-66.7175.1000112.3L217 F222 L242 L256 C257 R258 R284 R285 L288 L464L217-L260 HydrophobicContact CD1-CD1 4.14Å; F222-L260 HydrophobicContact CE1-CB 4.4Å; F222-L260 HydrophobicContact CZ-CB 4.18Å; F222-L260 HydrophobicContact CZ-CD1 4.31Å; L242-L260 HydrophobicContact CD1-CD1 3.98Å; L256-L260 HydrophobicContact CD1-CD1 4.24Å; L256-L260 HydrophobicContact CD1-CG 4.39Å; L256-L260 HydrophobicContact CG-CD1 4.3Å; L256-L260 WeakPolarHBondContact O-CG 3.44Å; L256-L260 PolarHBondContact O-N 3.33Å; C257-L260 PolarHBondContact O-N 2.88Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 3.18Å; L260-R284 HydrophobicContact CD2-CB 4.31Å; L260-R284 WeakPolarHBondContact O-CD 3.4Å; L260-R285 HydrophobicContact CD2-CB 4.18Å; L260-L288 HydrophobicContact CD2-CD2 4.42Å; L260-L464 HydrophobicContact CD2-CD2 4.46Å
261R89.6Confident85.6Confident42 Ų4271.4 Ų71.416%0.15837%0.374CS..Hα-helixtrans-91-20.8-174-65.7169.769.1176.38.8114.9F222 P231 C232 D233 C257 R258 C276F222-R261 HydrophobicContact CE1-CG 4.38Å; P231-R261 HydrophobicContact CB-CB 4.14Å; P231-R261 PolarHBondContact O-NH2 3.38Å; C232-R261 WeakPolarHBondContact O-CD 3.37Å; C232-R261 PolarHBondContact O-NE 3.44Å; C232-R261 PolarHBondContact O-NH2 3.31Å; C232-R261 VanDerWaalsContact O-NH2 3.1Å; D233-R261 IonicContact OD1-CZ 3.89Å; D233-R261 IonicContact OD1-NH2 2.67Å; D233-R261 PolarHBondContact OD1-NH2 3.43Å; C257-R261 WeakPolarHBondContact O-CB 3.34Å; C257-R261 WeakPolarHBondContact O-CG 3.37Å; C257-R261 PolarHBondContact O-N 3.06Å; C257-R261 WeakPolarHBondContact SG-CD 3.46Å; R258-R261 PolarHBondContact O-N 2.85Å; R261-C276 WeakPolarHBondContact O-CB 3.24Å; R261-C276 PolarHBondContact O-N 3.31Å
262V86.8Confident85.1Confident22 Ų2274.5 Ų74.513%0.13339%0.393CS..EExtended strand (participates in β ladder)trans-129.2130.6-173.4-174.90000110P231 R258 L273P231-V262 HydrophobicContact CB-CG2 4.44Å; R258-V262 WeakPolarHBondContact O-CB 3.45Å; R258-V262 PolarHBondContact O-N 2.93Å; V262-L273 HydrophobicContact CG1-CB 3.91Å; V262-L273 HydrophobicContact CG1-CD2 4.15Å
263R85.4Confident84.7Confident63 Ų6376.4 Ų76.424%0.23840%0.399CS..EExtended strand (participates in β ladder)trans-104.5146.9170.864.2173.1171-154.3-19.9111.3K274 E280R263-K274 HydrophobicContact CG-CB 4.18Å; R263-K274 WeakPolarHBondContact CG-O 3.48Å; R263-K274 PolarHBondContact N-O 3.09Å; R263-K274 PolarHBondContact O-N 3.12Å; R263-E280 IonicContact CZ-OE1 2.63Å; R263-E280 IonicContact CZ-OE2 3.18Å; R263-E280 IonicContact NH1-OE1 3.86Å; R263-E280 PolarHBondContact NH1-OE1 2.85Å; R263-E280 IonicContact NH1-OE2 2.84Å; R263-E280 IonicContact NH2-OE1 3.73Å; R263-E280 PolarHBondContact NH2-OE1 3.32Å; R263-E280 IonicContact NH2-OE2 2.88Å; R263-E280 PolarHBondContact NH2-OE2 3.05Å
264T82.6Confident84.4Confident38 Ų3879.6 Ų79.623%0.23341%0.407CS..EExtended strand (participates in β ladder)trans-100.3117.2175-45.70000109.3N271 V272 L273 E463T264-N271 HydrophobicContact CG2-CB 3.67Å; T264-V272 CarbonylContact C-O 3.55Å; T264-V272 WeakPolarHBondContact CA-O 3.34Å; T264-L273 HydrophobicContact CG2-CD2 4.14Å; T264-L273 WeakPolarHBondContact OG1-CD2 3.24Å; T264-E463 WeakPolarHBondContact CA-OE1 2.97Å; T264-E463 WeakPolarHBondContact CB-OE1 3.49Å; T264-E463 PolarHBondContact N-OE1 3.43Å; T264-E463 PolarHBondContact OG1-OE1 3.45Å; T264-E463 VanDerWaalsContact OG1-OE1 3.12Å
265L80Confident84.2Confident77 Ų7773 Ų7340%0.40338%0.378SS..EExtended strand (participates in β ladder)trans-95.2121174.5-62.6176.1000109.1A267 V272 K274L265-A267 PolarHBondContact O-N 3.4Å; L265-V272 PolarHBondContact N-O 3.43Å; L265-V272 PolarHBondContact O-N 2.94Å; L265-K274 HydrophobicContact CD1-CB 4.12Å; L265-K274 HydrophobicContact CD1-CD 3.98Å
266K73.1Confident83.9Confident171 Ų17170.3 Ų70.374%0.74337%0.367SS*.EExtended strand (participates in β ladder)trans-79.9102.1170.6-79.2-177.2177.6-178.40109.3N271K266-N271 WeakPolarHBondContact CG-OD1 3.47Å
267A75.2Confident83.7Confident63 Ų6373 Ų7352%0.52139%0.385SS..EExtended strand (participates in β ladder)trans-101.191.4172.500000108.8L265 K269 Q270 V272L265-A267 PolarHBondContact O-N 3.4Å; A267-K269 PolarHBondContact O-N 2.92Å; A267-Q270 PolarHBondContact N-O 2.81Å; A267-Q270 PolarHBondContact O-N 3.5Å; A267-V272 HydrophobicContact CB-CG2 4.42Å
268G77Confident83.5Confident79 Ų7979.5 Ų79.581%0.81441%0.407SS*.THydrogen-bonded Turntrans66.9-115.7-175.100000112.2
269K74.9Confident83.2Confident218 Ų21877.7 Ų77.795%0.94842%0.416SS*.THydrogen-bonded Turntrans-93.3-8176.8-69.9-174.9180179.80114A267A267-K269 PolarHBondContact O-N 2.92Å
270Q76.6Confident83Confident147 Ų14780.4 Ų80.469%0.68743%0.428SS*.EExtended strand (participates in β ladder)trans-104.9143.8-176.6-68.1-178.9-900111.4A267A267-Q270 PolarHBondContact N-O 2.81Å; A267-Q270 PolarHBondContact O-N 3.5Å
271N80Confident82.9Confident107 Ų10780.3 Ų80.357%0.57243%0.428SS*.EExtended strand (participates in β ladder)trans-98.4117.2174.4-69.6-24.9000108.7T264 K266T264-N271 HydrophobicContact CG2-CB 3.67Å; K266-N271 WeakPolarHBondContact CG-OD1 3.47Å
272V84.2Confident82.9Confident71 Ų7179 Ų7943%0.4343%0.428SS..EExtended strand (participates in β ladder)trans-104.5126177.1-178.80000109T264 L265 A267T264-V272 CarbonylContact C-O 3.55Å; T264-V272 WeakPolarHBondContact CA-O 3.34Å; L265-V272 PolarHBondContact N-O 3.43Å; L265-V272 PolarHBondContact O-N 2.94Å; A267-V272 HydrophobicContact CB-CG2 4.42Å
273L84.8Confident82.9Confident108 Ų10882.7 Ų82.757%0.56545%0.45SS*.EExtended strand (participates in β ladder)trans-85.1125.5175.3-62.5176.3000109.6V262 T264V262-L273 HydrophobicContact CG1-CB 3.91Å; V262-L273 HydrophobicContact CG1-CD2 4.15Å; T264-L273 HydrophobicContact CG2-CD2 4.14Å; T264-L273 WeakPolarHBondContact OG1-CD2 3.24Å
274K86Confident83.2Confident101 Ų10180.8 Ų80.844%0.43944%0.443SS..EExtended strand (participates in β ladder)trans-123.6127.4177.1-174.8175.5177.9-179.40110.1R263 L265R263-K274 HydrophobicContact CG-CB 4.18Å; R263-K274 WeakPolarHBondContact CG-O 3.48Å; R263-K274 PolarHBondContact N-O 3.09Å; R263-K274 PolarHBondContact O-N 3.12Å; L265-K274 HydrophobicContact CD1-CB 4.12Å; L265-K274 HydrophobicContact CD1-CD 3.98Å
275P86.5Confident83.7Confident32 Ų3280.8 Ų80.821%0.20844%0.438CS..EExtended strand (participates in β ladder)trans-56.6141.6169.6-25.835.4000112.4P231P231-P275 HydrophobicContact CB-CB 4.45Å
276C85.7Confident84.3Confident6 Ų678.5 Ų78.54%0.04143%0.427CS..PPolyproline II helixtrans-91.3146.1175.4-77.80000111C232 R261 E280 C281C232-C276 PolarHBondContact SG-O 3.3Å; C232-C276 VanDerWaalsContact SG-O 3.34Å; R261-C276 WeakPolarHBondContact O-CB 3.24Å; R261-C276 PolarHBondContact O-N 3.31Å; C276-E280 WeakPolarHBondContact CA-OE2 3.4Å; C276-E280 HydrophobicContact CB-CB 3.83Å; C276-C281 VanDerWaalsContact CB-SG 3.58Å
277S86.9Confident85.1Confident57 Ų5770.9 Ų70.940%0.39940%0.395SS..PPolyproline II helixtrans-71.4166.3170.473.30000111.2A279 E280 C281S277-A279 VanDerWaalsContact C-N 3.27Å; S277-A279 PolarHBondContact O-N 3.38Å; S277-E280 PolarHBondContact N-OE2 3.01Å; S277-E280 PolarHBondContact O-N 2.84Å; S277-E280 VanDerWaalsContact O-N 3.08Å; S277-E280 WeakPolarHBondContact OG-CG 3.37Å; S277-E280 PolarHBondContact OG-N 3.46Å; S277-C281 PolarHBondContact O-N 3.32Å; S277-C281 PolarHBondContact O-SG 2.96Å
278R86.9Confident86Confident153 Ų15368 Ų6858%0.57737%0.37SS*.Hα-helixtrans-51.7-45.4176.2-177.3-176.6-178.2-157.2-3.8112.6F222 C232 C281 G282F222-R278 HydrophobicContact CB-CG 4.21Å; F222-R278 WeakPolarHBondContact O-CD 3.4Å; F222-R278 PolarHBondContact O-NE 3.4Å; C232-R278 PolarHBondContact SG-N 3.47Å; C232-R278 VanDerWaalsContact SG-N 3.43Å; R278-C281 PolarHBondContact O-N 3.39Å; R278-G282 PolarHBondContact O-N 3.14Å; R278-G282 VanDerWaalsContact O-N 3.12Å
279A84.5Confident86.8Confident73 Ų7364.2 Ų64.260%0.60333%0.332SS*.Hα-helixtrans-66.8-42.4178.700000111.8S277 C281 G282 V283S277-A279 VanDerWaalsContact C-N 3.27Å; S277-A279 PolarHBondContact O-N 3.38Å; A279-C281 VanDerWaalsContact C-N 3.35Å; A279-C281 PolarHBondContact O-N 3.02Å; A279-G282 PolarHBondContact O-N 3.33Å; A279-V283 WeakPolarHBondContact O-CG2 3.49Å; A279-V283 PolarHBondContact O-N 3.06Å
280E85.7Confident87.7Confident59 Ų5956.1 Ų56.128%0.27630%0.297SS..Hα-helixtrans-63-40.2175.9-72.3-177.316200111.6R263 C276 S277 V283 R284R263-E280 IonicContact CZ-OE1 2.63Å; R263-E280 IonicContact CZ-OE2 3.18Å; R263-E280 IonicContact NH1-OE1 3.86Å; R263-E280 PolarHBondContact NH1-OE1 2.85Å; R263-E280 IonicContact NH1-OE2 2.84Å; R263-E280 IonicContact NH2-OE1 3.73Å; R263-E280 PolarHBondContact NH2-OE1 3.32Å; R263-E280 IonicContact NH2-OE2 2.88Å; R263-E280 PolarHBondContact NH2-OE2 3.05Å; C276-E280 WeakPolarHBondContact CA-OE2 3.4Å; C276-E280 HydrophobicContact CB-CB 3.83Å; S277-E280 PolarHBondContact N-OE2 3.01Å; S277-E280 PolarHBondContact O-N 2.84Å; S277-E280 VanDerWaalsContact O-N 3.08Å; S277-E280 WeakPolarHBondContact OG-CG 3.37Å; S277-E280 PolarHBondContact OG-N 3.46Å; E280-V283 PolarHBondContact O-N 3.23Å; E280-R284 WeakPolarHBondContact O-CG 3.49Å; E280-R284 PolarHBondContact O-N 3.07Å
281C88.9Confident88.4Confident0 Ų050.2 Ų50.20%027%0.27CS..Hα-helixtrans-61.6-44.7176.4-63.80000111.5F222 C276 S277 R278 A279 R284 R285F222-C281 HydrophobicContact CB-CB 4.42Å; F222-C281 HydrophobicContact CD1-CB 3.82Å; F222-C281 HydrophobicContact CD2-CB 3.57Å; F222-C281 HydrophobicContact CE1-CB 3.89Å; F222-C281 HydrophobicContact CE2-CB 3.65Å; F222-C281 HydrophobicContact CG-CB 3.67Å; F222-C281 HydrophobicContact CZ-CB 3.81Å; C276-C281 VanDerWaalsContact CB-SG 3.58Å; S277-C281 PolarHBondContact O-N 3.32Å; S277-C281 PolarHBondContact O-SG 2.96Å; R278-C281 PolarHBondContact O-N 3.39Å; A279-C281 VanDerWaalsContact C-N 3.35Å; A279-C281 PolarHBondContact O-N 3.02Å; C281-R284 PolarHBondContact O-N 3.41Å; C281-R285 WeakPolarHBondContact O-CB 3.23Å; C281-R285 PolarHBondContact O-N 2.78Å
282G89.5Confident89.1Confident15 Ų1545.2 Ų45.216%0.15524%0.244CC..Hα-helixtrans-59.8-45.9174.400000112.6R278 A279 R284 R285 D286R278-G282 PolarHBondContact O-N 3.14Å; R278-G282 VanDerWaalsContact O-N 3.12Å; A279-G282 PolarHBondContact O-N 3.33Å; G282-R284 VanDerWaalsContact C-N 3.32Å; G282-R284 PolarHBondContact O-N 3.2Å; G282-R285 WeakPolarHBondContact O-CB 3.34Å; G282-R285 PolarHBondContact O-N 2.82Å; G282-D286 VanDerWaalsContact O-CG 3.22Å; G282-D286 PolarHBondContact O-N 3.07Å
283V87.6Confident89.6Confident99 Ų9941.9 Ų41.960%0.622%0.223SC*.Hα-helixtrans-62.3-39176.6172.70000111.7A279 E280 D286 C287A279-V283 WeakPolarHBondContact O-CG2 3.49Å; A279-V283 PolarHBondContact O-N 3.06Å; E280-V283 PolarHBondContact O-N 3.23Å; V283-D286 PolarHBondContact O-N 3.46Å; V283-C287 VanDerWaalsContact O-CB 3.23Å; V283-C287 WeakPolarHBondContact O-CB 3.41Å; V283-C287 PolarHBondContact O-N 3.15Å
284R90.5Very high90Very high22 Ų2236.7 Ų36.78%0.08320%0.196CC..Hα-helixtrans-66.4-42.4176.7-72.6177.875.484.70.5112.1C259 L260 E280 C281 G282 C287 L288 P461 E463C259-R284 VanDerWaalsContact O-CZ 3.23Å; C259-R284 PolarHBondContact O-NE 2.83Å; C259-R284 PolarHBondContact O-NH2 3.08Å; L260-R284 HydrophobicContact CD2-CB 4.31Å; L260-R284 WeakPolarHBondContact O-CD 3.4Å; E280-R284 WeakPolarHBondContact O-CG 3.49Å; E280-R284 PolarHBondContact O-N 3.07Å; C281-R284 PolarHBondContact O-N 3.41Å; G282-R284 VanDerWaalsContact C-N 3.32Å; G282-R284 PolarHBondContact O-N 3.2Å; R284-C287 WeakPolarHBondContact O-CB 3.35Å; R284-C287 PolarHBondContact O-N 3.23Å; R284-L288 PolarHBondContact O-N 3.21Å; R284-P461 VanDerWaalsContact NH1-CB 3.32Å; R284-E463 IonicContact CZ-OE2 3.06Å; R284-E463 IonicContact NH1-OE2 2.91Å; R284-E463 IonicContact NH2-OE2 2.65Å; R284-E463 PolarHBondContact NH2-OE2 3.38Å
285R92.9Very high90.3Very high38 Ų3833.3 Ų33.314%0.14318%0.182CC..Hα-helixtrans-58.6-49.7173.8177.5-158.169.5169.46.6111.1W174 L217 G218 V220 F222 L260 C281 G282 C287 L288 A289W174-R285 HydrophobicContact CH2-CG 4.33Å; L217-R285 HydrophobicContact CD1-CG 3.93Å; L217-R285 HydrophobicContact CD2-CG 4.43Å; L217-R285 HydrophobicContact CG-CG 3.81Å; L217-R285 VanDerWaalsContact O-CD 3.3Å; L217-R285 WeakPolarHBondContact O-CD 3.43Å; G218-R285 PolarHBondContact O-NH1 3.16Å; V220-R285 WeakPolarHBondContact O-CD 3.45Å; V220-R285 PolarHBondContact O-NH1 3.45Å; F222-R285 HydrophobicContact CE2-CB 4.28Å; L260-R285 HydrophobicContact CD2-CB 4.18Å; C281-R285 WeakPolarHBondContact O-CB 3.23Å; C281-R285 PolarHBondContact O-N 2.78Å; G282-R285 WeakPolarHBondContact O-CB 3.34Å; G282-R285 PolarHBondContact O-N 2.82Å; R285-C287 VanDerWaalsContact C-N 3.3Å; R285-C287 PolarHBondContact O-N 2.81Å; R285-L288 WeakPolarHBondContact O-CB 3.34Å; R285-L288 PolarHBondContact O-N 3.2Å; R285-A289 PolarHBondContact O-N 2.92Å
286D92.3Very high90.8Very high29 Ų2931.8 Ų31.816%0.15517%0.172CC..Hα-helixtrans-64.2-37.3178.5-65.65.9000111.5A137 W174 G282 V283 A289 K290A137-D286 HydrophobicContact CB-CB 3.8Å; W174-D286 WeakPolarHBondContact CZ2-OD1 3.4Å; G282-D286 VanDerWaalsContact O-CG 3.22Å; G282-D286 PolarHBondContact O-N 3.07Å; V283-D286 PolarHBondContact O-N 3.46Å; D286-A289 PolarHBondContact O-N 3.02Å; D286-K290 WeakPolarHBondContact O-CB 3.45Å; D286-K290 WeakPolarHBondContact O-CD 3.42Å; D286-K290 WeakPolarHBondContact O-CG 3.43Å; D286-K290 PolarHBondContact O-N 2.9Å
287C90.8Very high91.2Very high11 Ų1131.8 Ų31.87%0.07417%0.172CC..Hα-helixtrans-62.6-45.2175.3-177.80000111.4V283 R284 R285 A289 K290 V291 L464V283-C287 VanDerWaalsContact O-CB 3.23Å; V283-C287 WeakPolarHBondContact O-CB 3.41Å; V283-C287 PolarHBondContact O-N 3.15Å; R284-C287 WeakPolarHBondContact O-CB 3.35Å; R284-C287 PolarHBondContact O-N 3.23Å; R285-C287 VanDerWaalsContact C-N 3.3Å; R285-C287 PolarHBondContact O-N 2.81Å; C287-A289 VanDerWaalsContact C-N 3.35Å; C287-A289 PolarHBondContact O-N 2.82Å; C287-K290 PolarHBondContact O-N 3.17Å; C287-V291 WeakPolarHBondContact O-CB 3.47Å; C287-V291 VanDerWaalsContact O-CG2 3.27Å; C287-V291 WeakPolarHBondContact O-CG2 3.39Å; C287-V291 PolarHBondContact O-N 3.17Å; C287-L464 HydrophobicContact CB-CD1 4.5Å
288L93.4Very high91.5Very high2 Ų232.5 Ų32.51%0.0117%0.169CC..Hα-helixtrans-55.8-50.2176.7-177.259.4000111.1L217 L256 L260 R284 R285 K290 V291 V292 L464 L468L217-L288 HydrophobicContact CD1-CD2 4.46Å; L217-L288 HydrophobicContact CD2-CB 4.08Å; L217-L288 HydrophobicContact CD2-CD2 3.74Å; L217-L288 HydrophobicContact CD2-CG 3.94Å; L256-L288 HydrophobicContact CD1-CD2 3.48Å; L256-L288 VanDerWaalsContact CD1-CD2 3.48Å; L260-L288 HydrophobicContact CD2-CD2 4.42Å; R284-L288 PolarHBondContact O-N 3.21Å; R285-L288 WeakPolarHBondContact O-CB 3.34Å; R285-L288 PolarHBondContact O-N 3.2Å; L288-K290 PolarHBondContact O-N 3.36Å; L288-V291 PolarHBondContact O-N 2.87Å; L288-V292 HydrophobicContact CD1-CG2 4.22Å; L288-V292 VanDerWaalsContact O-CG2 3.3Å; L288-V292 WeakPolarHBondContact O-CG2 3.47Å; L288-V292 PolarHBondContact O-N 3.33Å; L288-L464 HydrophobicContact CB-CD1 4.09Å; L288-L464 HydrophobicContact CD1-CB 4.23Å; L288-L464 HydrophobicContact CD1-CD2 4.44Å; L288-L468 HydrophobicContact CD1-CD1 3.82Å; L288-L468 HydrophobicContact CD1-CD2 4.19Å; L288-L468 HydrophobicContact CD1-CG 4.12Å
289A94.9Very high91.9Very high0 Ų026.3 Ų26.30%015%0.145CC..Hα-helixtrans-59.4-46.1177.700000113V136 W174 I214 L217 R285 D286 C287 V291 V292 Y293V136-A289 HydrophobicContact CG1-CB 4.2Å; W174-A289 HydrophobicContact CE3-CB 4.46Å; W174-A289 HydrophobicContact CH2-CB 3.47Å; W174-A289 VanDerWaalsContact CH2-CB 3.47Å; W174-A289 HydrophobicContact CZ3-CB 3.4Å; W174-A289 VanDerWaalsContact CZ3-CB 3.4Å; I214-A289 HydrophobicContact CG2-CB 4Å; L217-A289 HydrophobicContact CD2-CB 4.3Å; R285-A289 PolarHBondContact O-N 2.92Å; D286-A289 PolarHBondContact O-N 3.02Å; C287-A289 VanDerWaalsContact C-N 3.35Å; C287-A289 PolarHBondContact O-N 2.82Å; A289-V291 VanDerWaalsContact C-N 3.34Å; A289-V291 PolarHBondContact O-N 2.66Å; A289-V292 PolarHBondContact O-N 2.72Å; A289-Y293 WeakPolarHBondContact O-CB 3.49Å; A289-Y293 PolarHBondContact O-N 3.23Å
290K92.2Very high92.3Very high49 Ų4923 Ų2321%0.21312%0.117CC..Hα-helixtrans-61.9-40.7178.8-70.4165.8-166.6171.50112.3K133 D286 C287 L288 G294K133-K290 HydrophobicContact CB-CB 4.41Å; K133-K290 WeakPolarHBondContact O-CG 3.48Å; D286-K290 WeakPolarHBondContact O-CB 3.45Å; D286-K290 WeakPolarHBondContact O-CD 3.42Å; D286-K290 WeakPolarHBondContact O-CG 3.43Å; D286-K290 PolarHBondContact O-N 2.9Å; C287-K290 PolarHBondContact O-N 3.17Å; L288-K290 PolarHBondContact O-N 3.36Å; K290-G294 PolarHBondContact O-N 3.16Å
291V91.4Very high92.7Very high22 Ų2220.7 Ų20.713%0.13311%0.107CC..Hα-helixtrans-69.2-49.3-179.9170.30000110.4C287 L288 A289 Y293 G294 Q295 V460 F480C287-V291 WeakPolarHBondContact O-CB 3.47Å; C287-V291 VanDerWaalsContact O-CG2 3.27Å; C287-V291 WeakPolarHBondContact O-CG2 3.39Å; C287-V291 PolarHBondContact O-N 3.17Å; L288-V291 PolarHBondContact O-N 2.87Å; A289-V291 VanDerWaalsContact C-N 3.34Å; A289-V291 PolarHBondContact O-N 2.66Å; V291-Y293 PolarHBondContact O-N 2.97Å; V291-G294 PolarHBondContact O-N 3.18Å; V291-Q295 HydrophobicContact CG1-CG 4.36Å; V291-Q295 VanDerWaalsContact O-CB 3.32Å; V291-Q295 WeakPolarHBondContact O-CB 3.41Å; V291-Q295 VanDerWaalsContact O-CG 3.22Å; V291-Q295 WeakPolarHBondContact O-CG 3.26Å; V291-Q295 PolarHBondContact O-N 2.99Å; V291-V460 HydrophobicContact CG1-CG1 4.44Å; V291-V460 HydrophobicContact CG2-CB 4.28Å; V291-V460 HydrophobicContact CG2-CG1 3.78Å; V291-V460 HydrophobicContact CG2-CG2 3.48Å; V291-V460 VanDerWaalsContact CG2-CG2 3.48Å; V291-F480 HydrophobicContact CG1-CE1 3.82Å; V291-F480 HydrophobicContact CG1-CZ 3.95Å
292V94.8Very high92.9Very high2 Ų225.1 Ų25.11%0.01213%0.134CC..Hα-helixtrans-59-50.8178.2175.70000110.7I210 I214 L288 A289 G294 Q295 L296 L468 L476I210-V292 HydrophobicContact CG2-CG1 3.4Å; I214-V292 HydrophobicContact CD1-CB 4.35Å; I214-V292 HydrophobicContact CD1-CG1 3.96Å; I214-V292 HydrophobicContact CG1-CG1 4.27Å; L288-V292 HydrophobicContact CD1-CG2 4.22Å; L288-V292 VanDerWaalsContact O-CG2 3.3Å; L288-V292 WeakPolarHBondContact O-CG2 3.47Å; L288-V292 PolarHBondContact O-N 3.33Å; A289-V292 PolarHBondContact O-N 2.72Å; V292-G294 PolarHBondContact O-N 2.81Å; V292-Q295 PolarHBondContact O-N 2.95Å; V292-L296 VanDerWaalsContact O-CB 3.32Å; V292-L296 WeakPolarHBondContact O-CB 3.13Å; V292-L296 PolarHBondContact O-N 3.37Å; V292-L468 HydrophobicContact CG2-CD1 3.68Å; V292-L468 HydrophobicContact CG2-CD2 3.86Å; V292-L468 HydrophobicContact CG2-CG 4.45Å; V292-L476 HydrophobicContact CG1-CD2 3.94Å
293Y96.3Very high93.1Very high1 Ų125.9 Ų25.90%0.00413%0.133CC..Hα-helixtrans-63.3-43.9179.5-167.5-91.6000112.6F93 L131 V136 F146 I148 F149 L211 I214 A289 V291 Q295 L296 F297F93-Y293 WeakPolarHBondContact CA-OH 3.39Å; F93-Y293 HydrophobicContact CD1-CE2 4.49Å; F93-Y293 PolarHBondContact O-OH 2.96Å; L131-Y293 HydrophobicContact CD2-CD1 4.08Å; L131-Y293 HydrophobicContact CD2-CE1 4.09Å; V136-Y293 HydrophobicContact CG2-CD1 3.53Å; V136-Y293 HydrophobicContact CG2-CD2 4.19Å; V136-Y293 HydrophobicContact CG2-CE1 4.13Å; V136-Y293 HydrophobicContact CG2-CG 3.56Å; F146-Y293 VanDerWaalsContact CB-OH 3.31Å; F146-Y293 WeakPolarHBondContact CB-OH 3.4Å; F146-Y293 HydrophobicContact CD2-CD1 4.43Å; F146-Y293 AromaticContact CD2-CE1 3.56Å; F146-Y293 HydrophobicContact CD2-CE1 3.56Å; F146-Y293 HydrophobicContact CD2-CE2 4.4Å; F146-Y293 AromaticContact CD2-CZ 3.55Å; F146-Y293 WeakPolarHBondContact CD2-OH 3.44Å; F146-Y293 HydrophobicContact CE2-CD1 4.21Å; F146-Y293 AromaticContact CE2-CE1 3.56Å; F146-Y293 HydrophobicContact CE2-CE1 3.56Å; F146-Y293 HydrophobicContact CG-CE1 4.18Å; F146-Y293 AromaticContact CG-CZ 3.91Å; F146-Y293 VanDerWaalsContact CG-OH 3.27Å; F146-Y293 WeakPolarHBondContact CG-OH 3.4Å; F146-Y293 HydrophobicContact CZ-CE1 4.17Å; I148-Y293 HydrophobicContact CG2-CE2 4.35Å; F149-Y293 HydrophobicContact CE2-CD2 4.14Å; F149-Y293 AromaticContact CE2-CE2 3.68Å; F149-Y293 HydrophobicContact CE2-CE2 3.68Å; F149-Y293 AromaticContact CZ-CD2 3.72Å; F149-Y293 HydrophobicContact CZ-CD2 3.72Å; F149-Y293 AromaticContact CZ-CE2 3.61Å; F149-Y293 HydrophobicContact CZ-CE2 3.61Å; L211-Y293 HydrophobicContact CD2-CD2 3.83Å; L211-Y293 HydrophobicContact CD2-CE2 3.69Å; I214-Y293 HydrophobicContact CD1-CD2 4.15Å; A289-Y293 WeakPolarHBondContact O-CB 3.49Å; A289-Y293 PolarHBondContact O-N 3.23Å; V291-Y293 PolarHBondContact O-N 2.97Å; Y293-Q295 VanDerWaalsContact C-N 3.33Å; Y293-Q295 PolarHBondContact O-N 3.33Å; Y293-L296 PolarHBondContact O-N 2.89Å; Y293-F297 WeakPolarHBondContact O-CB 3.3Å; Y293-F297 PolarHBondContact O-N 3.49Å
294G93Very high93.3Very high0 Ų021.2 Ų21.20%011%0.105CC..Hα-helixtrans-63.3-38.6179.700000113K290 V291 V292 E298K290-G294 PolarHBondContact O-N 3.16Å; V291-G294 PolarHBondContact O-N 3.18Å; V292-G294 PolarHBondContact O-N 2.81Å; G294-E298 WeakPolarHBondContact O-CG 3.29Å; G294-E298 PolarHBondContact O-N 3.3Å; G294-E298 VanDerWaalsContact O-N 3.11Å
295Q92.7Very high93.4Very high29 Ų2921.8 Ų21.814%0.13611%0.11CC..Hα-helixtrans-73.8-38.6176.7-70.8-58.3-52.300112.3V291 V292 Y293 F297 E298 W299 I479 F480V291-Q295 HydrophobicContact CG1-CG 4.36Å; V291-Q295 VanDerWaalsContact O-CB 3.32Å; V291-Q295 WeakPolarHBondContact O-CB 3.41Å; V291-Q295 VanDerWaalsContact O-CG 3.22Å; V291-Q295 WeakPolarHBondContact O-CG 3.26Å; V291-Q295 PolarHBondContact O-N 2.99Å; V292-Q295 PolarHBondContact O-N 2.95Å; Y293-Q295 VanDerWaalsContact C-N 3.33Å; Y293-Q295 PolarHBondContact O-N 3.33Å; Q295-F297 VanDerWaalsContact C-N 3.32Å; Q295-F297 PolarHBondContact O-N 3.48Å; Q295-E298 PolarHBondContact NE2-OE2 3.49Å; Q295-E298 PolarHBondContact O-N 3.46Å; Q295-E298 PolarHBondContact OE1-OE2 2.91Å; Q295-W299 WeakPolarHBondContact O-CB 3.27Å; Q295-W299 PolarHBondContact O-N 3.08Å; Q295-I479 HydrophobicContact CB-CG2 3.49Å; Q295-I479 VanDerWaalsContact CB-CG2 3.49Å; Q295-I479 HydrophobicContact CG-CG2 4.36Å; Q295-F480 HydrophobicContact CB-CE2 4.38Å; Q295-F480 HydrophobicContact CB-CZ 3.92Å; Q295-F480 HydrophobicContact CG-CE1 3.92Å; Q295-F480 HydrophobicContact CG-CZ 3.78Å
296L95.6Very high93.3Very high1 Ų124.1 Ų24.11%0.00513%0.132CC..Hα-helixtrans-59.1-43.3171.9179.162.6000111.7F93 I207 I210 L211 V292 Y293 W299 L300 L475 I479F93-L296 HydrophobicContact CE1-CD2 4.2Å; I207-L296 HydrophobicContact CG1-CD1 4.24Å; I207-L296 HydrophobicContact CG2-CD1 4.46Å; I207-L296 HydrophobicContact CG2-CD2 4.34Å; I210-L296 HydrophobicContact CG2-CD2 4.22Å; L211-L296 HydrophobicContact CD2-CD2 3.94Å; L211-L296 HydrophobicContact CG-CD2 4.23Å; V292-L296 VanDerWaalsContact O-CB 3.32Å; V292-L296 WeakPolarHBondContact O-CB 3.13Å; V292-L296 PolarHBondContact O-N 3.37Å; Y293-L296 PolarHBondContact O-N 2.89Å; L296-W299 HydrophobicContact CD1-CE3 4.47Å; L296-W299 PolarHBondContact O-N 3.32Å; L296-L300 HydrophobicContact CG-CD1 4.45Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 2.9Å; L296-L475 HydrophobicContact CD1-CD2 4.12Å; L296-I479 HydrophobicContact CD1-CD1 4.2Å
297F95.3Very high93Very high6 Ų624.2 Ų24.23%0.02614%0.135CC..Hα-helixtrans-64.8-44.4175.8-175.6-97.2000112.6F93 F107 T128 L131 Y293 Q295 W299 L300 V301F93-F297 HydrophobicContact CB-CD2 3.93Å; F93-F297 HydrophobicContact CB-CE2 4.22Å; F107-F297 HydrophobicContact CB-CE1 4.45Å; F107-F297 HydrophobicContact CB-CZ 4.25Å; F107-F297 HydrophobicContact CD1-CZ 4.06Å; F107-F297 HydrophobicContact CD2-CE1 4.3Å; F107-F297 AromaticContact CD2-CZ 3.72Å; F107-F297 HydrophobicContact CD2-CZ 3.72Å; F107-F297 HydrophobicContact CE1-CZ 4.39Å; F107-F297 HydrophobicContact CE2-CZ 4.03Å; F107-F297 HydrophobicContact CG-CE1 4.34Å; F107-F297 AromaticContact CG-CZ 3.73Å; F107-F297 HydrophobicContact CG-CZ 3.73Å; F107-F297 HydrophobicContact CZ-CZ 4.38Å; T128-F297 HydrophobicContact CG2-CE1 4.08Å; T128-F297 HydrophobicContact CG2-CZ 4.28Å; L131-F297 HydrophobicContact CB-CD1 4.36Å; L131-F297 HydrophobicContact CB-CE1 4.48Å; L131-F297 HydrophobicContact CD1-CD1 4.45Å; L131-F297 HydrophobicContact CD1-CE1 4.39Å; L131-F297 HydrophobicContact CD1-CZ 4.43Å; L131-F297 HydrophobicContact CD2-CB 3.77Å; L131-F297 HydrophobicContact CD2-CD1 3.81Å; L131-F297 HydrophobicContact CD2-CD2 4.39Å; L131-F297 HydrophobicContact CD2-CG 3.73Å; L131-F297 HydrophobicContact CG-CD1 4.45Å; Y293-F297 WeakPolarHBondContact O-CB 3.3Å; Y293-F297 PolarHBondContact O-N 3.49Å; Q295-F297 VanDerWaalsContact C-N 3.32Å; Q295-F297 PolarHBondContact O-N 3.48Å; F297-W299 VanDerWaalsContact C-N 3.3Å; F297-W299 PolarHBondContact O-N 3.35Å; F297-L300 PolarHBondContact O-N 3.36Å; F297-V301 HydrophobicContact CD1-CG2 4.31Å; F297-V301 HydrophobicContact CE1-CG2 3.96Å; F297-V301 HydrophobicContact CZ-CG2 4.18Å; F297-V301 WeakPolarHBondContact O-CG2 3.21Å; F297-V301 PolarHBondContact O-N 2.86Å
298E92.6Very high92.9Very high71 Ų7124 Ų2433%0.33213%0.133SC..Hα-helixtrans-59.2-41.6174.9-76.7166.8-151.500111.4K133 G294 Q295 V301 T302 K483K133-E298 IonicContact NZ-OE1 2.86Å; K133-E298 PolarHBondContact NZ-OE1 3.35Å; G294-E298 WeakPolarHBondContact O-CG 3.29Å; G294-E298 PolarHBondContact O-N 3.3Å; G294-E298 VanDerWaalsContact O-N 3.11Å; Q295-E298 PolarHBondContact NE2-OE2 3.49Å; Q295-E298 PolarHBondContact O-N 3.46Å; Q295-E298 PolarHBondContact OE1-OE2 2.91Å; E298-V301 PolarHBondContact O-N 3.05Å; E298-T302 PolarHBondContact O-N 3.45Å; E298-T302 PolarHBondContact O-OG1 3.49Å; E298-K483 IonicContact OE2-NZ 3.41Å; E298-K483 PolarHBondContact OE2-NZ 3.19Å
299W94.4Very high92.7Very high23 Ų2326.9 Ų26.99%0.08715%0.152CC..Hα-helixtrans-64.9-44.6175177.692.6000112.2I207 Q295 L296 F297 V301 T302 F303 L475 E478 I479I207-W299 HydrophobicContact CD1-CH2 4.35Å; I207-W299 HydrophobicContact CD1-CZ3 3.89Å; I207-W299 HydrophobicContact CG1-CZ3 4.4Å; Q295-W299 WeakPolarHBondContact O-CB 3.27Å; Q295-W299 PolarHBondContact O-N 3.08Å; L296-W299 HydrophobicContact CD1-CE3 4.47Å; L296-W299 PolarHBondContact O-N 3.32Å; F297-W299 VanDerWaalsContact C-N 3.3Å; F297-W299 PolarHBondContact O-N 3.35Å; W299-V301 VanDerWaalsContact C-N 3.31Å; W299-V301 PolarHBondContact O-N 3.25Å; W299-T302 CarbonylContact O-C 3.39Å; W299-T302 WeakPolarHBondContact O-CB 3.17Å; W299-T302 PolarHBondContact O-N 3.23Å; W299-T302 VanDerWaalsContact O-N 3.09Å; W299-F303 HydrophobicContact CH2-CD2 4.12Å; W299-F303 HydrophobicContact CH2-CG 4.33Å; W299-F303 AromaticContact CZ2-CD2 3.96Å; W299-F303 HydrophobicContact CZ2-CD2 3.96Å; W299-F303 HydrophobicContact CZ2-CG 4.48Å; W299-F303 WeakPolarHBondContact O-CB 3.2Å; W299-F303 PolarHBondContact O-N 2.93Å; W299-L475 HydrophobicContact CD2-CD1 3.79Å; W299-L475 HydrophobicContact CE3-CD1 4.13Å; W299-L475 HydrophobicContact CG-CD1 4.41Å; W299-L475 HydrophobicContact CH2-CD1 3.77Å; W299-L475 HydrophobicContact CH2-CD2 4.49Å; W299-L475 HydrophobicContact CZ2-CD1 3.34Å; W299-L475 HydrophobicContact CZ3-CD1 4.14Å; W299-L475 HydrophobicContact CZ3-CD2 4.46Å; W299-E478 PolarHBondContact NE1-OE1 3.25Å; W299-I479 HydrophobicContact CB-CD1 4.04Å; W299-I479 HydrophobicContact CB-CG1 3.86Å; W299-I479 HydrophobicContact CG-CD1 4.12Å; W299-I479 HydrophobicContact CG-CG1 3.82Å
300L94.5Very high92.2Very high4 Ų427.3 Ų27.32%0.02116%0.156CC..Hα-helixtrans-57.2-44.6176.8-78.1168.8000111.5L89 F93 I199 I207 L296 F297 T302 F303 I304L89-L300 HydrophobicContact CD2-CD2 4.45Å; F93-L300 HydrophobicContact CB-CD1 4.47Å; F93-L300 HydrophobicContact CD1-CD1 3.49Å; F93-L300 VanDerWaalsContact CD1-CD1 3.49Å; F93-L300 HydrophobicContact CD2-CD1 4.02Å; F93-L300 HydrophobicContact CE1-CD1 3.55Å; F93-L300 HydrophobicContact CE2-CD1 4.09Å; F93-L300 HydrophobicContact CG-CD1 3.74Å; F93-L300 HydrophobicContact CZ-CD1 3.85Å; I199-L300 HydrophobicContact CD1-CD2 4.08Å; I207-L300 HydrophobicContact CD1-CD2 4.21Å; L296-L300 HydrophobicContact CG-CD1 4.45Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 2.9Å; F297-L300 PolarHBondContact O-N 3.36Å; L300-T302 VanDerWaalsContact C-N 3.33Å; L300-T302 PolarHBondContact O-N 3.39Å; L300-F303 PolarHBondContact O-N 3.48Å; L300-I304 WeakPolarHBondContact O-CB 3.34Å; L300-I304 WeakPolarHBondContact O-CD1 3.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.43Å; L300-I304 PolarHBondContact O-N 2.96Å
301V93.4Very high91.8Very high10 Ų1027 Ų276%0.06117%0.167CC..Hα-helixtrans-63.5-41.3176.8174.30000111.1T128 F297 E298 W299 I304 N305T128-V301 HydrophobicContact CG2-CB 4.48Å; T128-V301 HydrophobicContact CG2-CG1 4.01Å; T128-V301 HydrophobicContact CG2-CG2 3.61Å; F297-V301 HydrophobicContact CD1-CG2 4.31Å; F297-V301 HydrophobicContact CE1-CG2 3.96Å; F297-V301 HydrophobicContact CZ-CG2 4.18Å; F297-V301 WeakPolarHBondContact O-CG2 3.21Å; F297-V301 PolarHBondContact O-N 2.86Å; E298-V301 PolarHBondContact O-N 3.05Å; W299-V301 VanDerWaalsContact C-N 3.31Å; W299-V301 PolarHBondContact O-N 3.25Å; V301-I304 PolarHBondContact O-N 3.05Å; V301-N305 WeakPolarHBondContact O-CB 3.31Å; V301-N305 PolarHBondContact O-N 3.45Å; V301-N305 PolarHBondContact O-ND2 2.94Å
302T93.1Very high91.3Very high93 Ų9334.2 Ų34.257%0.57120%0.199SC*.Hα-helixtrans-64.8-43.3177.2-55.50000111.4E298 W299 L300 N305 S306E298-T302 PolarHBondContact O-N 3.45Å; E298-T302 PolarHBondContact O-OG1 3.49Å; W299-T302 CarbonylContact O-C 3.39Å; W299-T302 WeakPolarHBondContact O-CB 3.17Å; W299-T302 PolarHBondContact O-N 3.23Å; W299-T302 VanDerWaalsContact O-N 3.09Å; L300-T302 VanDerWaalsContact C-N 3.33Å; L300-T302 PolarHBondContact O-N 3.39Å; T302-N305 PolarHBondContact O-N 3.45Å; T302-S306 PolarHBondContact O-N 3.17Å
303F92.6Very high90.8Very high31 Ų3139.9 Ų39.914%0.13624%0.238CC..Hα-helixtrans-61.7-50.1176-172.1-86.3000110.8I199 W299 L300 N305 S306 C307I199-F303 HydrophobicContact CB-CE1 4.41Å; I199-F303 HydrophobicContact CD1-CD1 4.21Å; I199-F303 HydrophobicContact CD1-CE1 4.32Å; I199-F303 HydrophobicContact CG1-CD1 3.71Å; I199-F303 HydrophobicContact CG1-CE1 3.34Å; I199-F303 HydrophobicContact CG1-CZ 4Å; W299-F303 HydrophobicContact CH2-CD2 4.12Å; W299-F303 HydrophobicContact CH2-CG 4.33Å; W299-F303 AromaticContact CZ2-CD2 3.96Å; W299-F303 HydrophobicContact CZ2-CD2 3.96Å; W299-F303 HydrophobicContact CZ2-CG 4.48Å; W299-F303 WeakPolarHBondContact O-CB 3.2Å; W299-F303 PolarHBondContact O-N 2.93Å; L300-F303 PolarHBondContact O-N 3.48Å; F303-N305 VanDerWaalsContact C-N 3.3Å; F303-N305 PolarHBondContact O-N 2.87Å; F303-S306 WeakPolarHBondContact O-CB 3.11Å; F303-S306 PolarHBondContact O-N 3.31Å; F303-S306 PolarHBondContact O-OG 3.39Å; F303-C307 VanDerWaalsContact CE1-SG 3.56Å; F303-C307 PolarHBondContact O-N 3.35Å; F303-C307 PolarHBondContact O-SG 3.3Å
304I92Very high90.2Very high2 Ų246.8 Ų46.81%0.0127%0.268CS..Hα-helixtrans-51.9-52.3175-71.1164.6000109.7L89 M90 L197 L300 V301 S306 C307 I308L89-I304 HydrophobicContact CD2-CD1 3.99Å; L89-I304 HydrophobicContact CD2-CG1 4.27Å; M90-I304 HydrophobicContact CG-CD1 3.97Å; L197-I304 HydrophobicContact CD1-CG1 4.32Å; L300-I304 WeakPolarHBondContact O-CB 3.34Å; L300-I304 WeakPolarHBondContact O-CD1 3.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.43Å; L300-I304 PolarHBondContact O-N 2.96Å; V301-I304 PolarHBondContact O-N 3.05Å; I304-S306 VanDerWaalsContact C-N 3.3Å; I304-S306 PolarHBondContact O-N 3.36Å; I304-C307 WeakPolarHBondContact O-CA 3.36Å; I304-C307 WeakPolarHBondContact O-CB 3.28Å; I304-C307 PolarHBondContact O-N 3.03Å; I304-I308 HydrophobicContact CG2-CD1 3.68Å; I304-I308 HydrophobicContact CG2-CG1 4.28Å; I304-I308 VanDerWaalsContact O-CG1 3.32Å; I304-I308 WeakPolarHBondContact O-CG1 3.21Å; I304-I308 PolarHBondContact O-N 3.27Å
305N92.5Very high90Very high33 Ų3349.5 Ų49.518%0.17628%0.279CS..Hα-helixtrans-58.2-39179.4-80-31.6000113.1V126 V301 T302 F303 C307 I308 C309V126-N305 PolarHBondContact N-OD1 3.38Å; V126-N305 PolarHBondContact O-ND2 3.23Å; V301-N305 WeakPolarHBondContact O-CB 3.31Å; V301-N305 PolarHBondContact O-N 3.45Å; V301-N305 PolarHBondContact O-ND2 2.94Å; T302-N305 PolarHBondContact O-N 3.45Å; F303-N305 VanDerWaalsContact C-N 3.3Å; F303-N305 PolarHBondContact O-N 2.87Å; N305-C307 PolarHBondContact O-N 3.27Å; N305-I308 PolarHBondContact O-N 3.01Å; N305-C309 WeakPolarHBondContact O-CB 3.33Å; N305-C309 PolarHBondContact O-N 3.15Å
306S90.6Very high89.6Confident88 Ų8855 Ų5562%0.61530%0.298SS*.Hα-helixtrans-62-28.6175.581.80000112.7T302 F303 I304T302-S306 PolarHBondContact O-N 3.17Å; F303-S306 WeakPolarHBondContact O-CB 3.11Å; F303-S306 PolarHBondContact O-N 3.31Å; F303-S306 PolarHBondContact O-OG 3.39Å; I304-S306 VanDerWaalsContact C-N 3.3Å; I304-S306 PolarHBondContact O-N 3.36Å
307C86.8Confident89.3Confident30 Ų3055.2 Ų55.220%0.20330%0.299CS..Hα-helixtrans-89.4-27.4-178-57.70000114.2R82 L197 F303 I304 N305R82-C307 PolarHBondContact NH1-O 3.04Å; L197-C307 PolarHBondContact O-SG 2.94Å; F303-C307 VanDerWaalsContact CE1-SG 3.56Å; F303-C307 PolarHBondContact O-N 3.35Å; F303-C307 PolarHBondContact O-SG 3.3Å; I304-C307 WeakPolarHBondContact O-CA 3.36Å; I304-C307 WeakPolarHBondContact O-CB 3.28Å; I304-C307 PolarHBondContact O-N 3.03Å; N305-C307 PolarHBondContact O-N 3.27Å
308I88.2Confident89.2Confident6 Ų655.5 Ų55.53%0.03130%0.301CS..Hα-helixtrans-108-21.2-174.766.2176.5000114.4R82 V83 G123 A124 V126 I304 N305R82-I308 HydrophobicContact CB-CG2 3.93Å; V83-I308 HydrophobicContact CG2-CB 4.45Å; V83-I308 HydrophobicContact CG2-CG2 4.45Å; G123-I308 CarbonylContact C-O 3.51Å; G123-I308 WeakPolarHBondContact CA-O 3.36Å; A124-I308 HydrophobicContact CB-CD1 4.05Å; A124-I308 HydrophobicContact CB-CG1 4.44Å; A124-I308 PolarHBondContact N-O 3.06Å; A124-I308 CarbonylContact O-C 3.58Å; A124-I308 WeakPolarHBondContact O-CG1 3.31Å; V126-I308 HydrophobicContact CG2-CD1 3.96Å; I304-I308 HydrophobicContact CG2-CD1 3.68Å; I304-I308 HydrophobicContact CG2-CG1 4.28Å; I304-I308 VanDerWaalsContact O-CG1 3.32Å; I304-I308 WeakPolarHBondContact O-CG1 3.21Å; I304-I308 PolarHBondContact O-N 3.27Å; N305-I308 PolarHBondContact O-N 3.01Å
309C89.1Confident89.3Confident63 Ų6352.2 Ų52.243%0.42629%0.285SS..PPolyproline II helixtrans-78130.1-173.9-168.80000112.1Q114 A124 N305Q114-C309 PolarHBondContact NE2-SG 2.88Å; Q114-C309 VanDerWaalsContact NE2-SG 3.43Å; A124-C309 WeakPolarHBondContact O-CA 3.48Å; A124-C309 PolarHBondContact O-N 3Å; N305-C309 WeakPolarHBondContact O-CB 3.33Å; N305-C309 PolarHBondContact O-N 3.15Å
310A85.7Confident89.3Confident10 Ų1051.1 Ų51.18%0.08328%0.281CS..PPolyproline II helixtrans-85.6143.5173.100000111V122 K314V122-A310 HydrophobicContact CB-CB 4.49Å; V122-A310 HydrophobicContact CG2-CB 4.23Å; A310-K314 HydrophobicContact CB-CB 4.37Å
311G84.2Confident89.3Confident42 Ų4251 Ų5143%0.43328%0.281SS..PPolyproline II helixtrans-56.1142.817200000111.7S313 K314G311-S313 PolarHBondContact O-N 2.64Å; G311-K314 WeakPolarHBondContact O-CB 3.29Å; G311-K314 PolarHBondContact O-N 3.39Å
312Q80.5Confident89.3Confident174 Ų17450.5 Ų50.581%0.81328%0.278SS*.THydrogen-bonded Turntrans-54.6-24.1-172.6-69.4179.3-5.400114.6
313S82.9Confident89.1Confident120 Ų12046.2 Ų46.284%0.83925%0.251SS*.THydrogen-bonded Turntrans-75.8-19.3177.656.60000114.5G311G311-S313 PolarHBondContact O-N 2.64Å
314K84.8Confident88.6Confident146 Ų14645.2 Ų45.264%0.63525%0.248SC*.THydrogen-bonded Turntrans-86.2-24.8-174.6-67.6-173.5176.7-178.90113.6D116 A310 G311D116-K314 WeakPolarHBondContact CB-O 3.39Å; A310-K314 HydrophobicContact CB-CB 4.37Å; G311-K314 WeakPolarHBondContact O-CB 3.29Å; G311-K314 PolarHBondContact O-N 3.39Å
315W88Confident88Confident57 Ų5745.5 Ų45.522%0.21625%0.249CC..  trans-117.9158-176.866.6-89.2000111.5Q114 L115 V122 F318Q114-W315 HydrophobicContact CB-CB 3.93Å; Q114-W315 HydrophobicContact CB-CD2 4.18Å; Q114-W315 HydrophobicContact CB-CG 3.89Å; Q114-W315 HydrophobicContact CG-CD2 4.12Å; Q114-W315 HydrophobicContact CG-CG 4.2Å; L115-W315 WeakPolarHBondContact O-CA 3.25Å; L115-W315 WeakPolarHBondContact O-CB 3.47Å; V122-W315 HydrophobicContact CG2-CB 3.79Å; W315-F318 HydrophobicContact CH2-CD1 4.33Å; W315-F318 HydrophobicContact CZ3-CB 4.43Å; W315-F318 AromaticContact CZ3-CD1 3.89Å; W315-F318 HydrophobicContact CZ3-CD1 3.89Å
316R84.7Confident87.5Confident144 Ų14444 Ų4454%0.54324%0.241SC..SBendtrans-123.8-37.1176.9-78-157.6169.2178.2-11113L115 R117L115-R316 PolarHBondContact O-N 2.81Å; R117-R316 HydrophobicContact CG-CG 4.12Å; R117-R316 VanDerWaalsContact NE-CZ 3.32Å; R117-R316 VanDerWaalsContact NH2-NH2 3.16Å
317N89Confident87.2Confident6 Ų640.3 Ų40.33%0.03221%0.214CC..EExtended strand (participates in β ladder)trans-128.9162.6-174.6-69.194.8000110.4V28 P34 N36 L115V28-N317 HydrophobicContact CG1-CB 3.51Å; P34-N317 VanDerWaalsContact C-ND2 3.31Å; P34-N317 VanDerWaalsContact CB-ND2 3.35Å; P34-N317 WeakPolarHBondContact CB-ND2 3.34Å; P34-N317 VanDerWaalsContact CB-OD1 3.27Å; P34-N317 WeakPolarHBondContact CB-OD1 3.48Å; P34-N317 WeakPolarHBondContact CG-OD1 3.36Å; P34-N317 PolarHBondContact O-ND2 2.92Å; N36-N317 VanDerWaalsContact OD1-CA 3.32Å; N36-N317 WeakPolarHBondContact OD1-CA 3.36Å; N36-N317 PolarHBondContact OD1-ND2 3.07Å; L115-N317 PolarHBondContact N-O 3.17Å; L115-N317 PolarHBondContact O-N 2.94Å
318F93.1Very high87.1Confident13 Ų1338.9 Ų38.96%0.05721%0.205CC..EExtended strand (participates in β ladder)trans-141.4157173.969.8-95.5000112.8N36 Q37 Y110 Q112 L113 W315 L512 T516N36-F318 WeakPolarHBondContact CA-O 3.44Å; N36-F318 HydrophobicContact CB-CD1 3.91Å; N36-F318 HydrophobicContact CB-CD2 4.28Å; N36-F318 HydrophobicContact CB-CE1 3.63Å; N36-F318 HydrophobicContact CB-CE2 3.99Å; N36-F318 HydrophobicContact CB-CG 4.25Å; N36-F318 HydrophobicContact CB-CZ 3.68Å; N36-F318 WeakPolarHBondContact ND2-CE1 3.28Å; N36-F318 WeakPolarHBondContact OD1-CD1 3.43Å; N36-F318 PolarHBondContact OD1-N 3.05Å; Q37-F318 PolarHBondContact N-O 3.45Å; Q37-F318 VanDerWaalsContact N-O 3.08Å; Y110-F318 VanDerWaalsContact OH-CE2 3.31Å; Y110-F318 WeakPolarHBondContact OH-CE2 3.44Å; Q112-F318 HydrophobicContact CG-CB 3.57Å; Q112-F318 HydrophobicContact CG-CD1 4.37Å; Q112-F318 HydrophobicContact CG-CD2 3.57Å; Q112-F318 HydrophobicContact CG-CE2 4.33Å; Q112-F318 HydrophobicContact CG-CG 3.59Å; L113-F318 CarbonylContact O-C 3.41Å; L113-F318 WeakPolarHBondContact O-CA 3.24Å; L113-F318 VanDerWaalsContact O-CB 3.24Å; L113-F318 WeakPolarHBondContact O-CB 3.45Å; W315-F318 HydrophobicContact CH2-CD1 4.33Å; W315-F318 HydrophobicContact CZ3-CB 4.43Å; W315-F318 AromaticContact CZ3-CD1 3.89Å; W315-F318 HydrophobicContact CZ3-CD1 3.89Å; F318-L512 HydrophobicContact CE2-CD2 4.47Å; F318-L512 HydrophobicContact CZ-CD2 4.48Å; F318-T516 HydrophobicContact CE2-CG2 3.77Å; F318-T516 HydrophobicContact CZ-CG2 3.73Å
319I94.6Very high86.9Confident1 Ų140.6 Ų40.61%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-115.3115.3167.7-58.9178.7000107.3Y25 V28 Q37 L39 Y60 L113 L115Y25-I319 HydrophobicContact CD2-CD1 4.23Å; V28-I319 HydrophobicContact CG2-CD1 4.11Å; V28-I319 HydrophobicContact CG2-CG1 3.92Å; Q37-I319 HydrophobicContact CB-CG1 4.33Å; Q37-I319 HydrophobicContact CB-CG2 4.46Å; Q37-I319 WeakPolarHBondContact O-CA 3.39Å; L39-I319 HydrophobicContact CD1-CG2 3.53Å; Y60-I319 HydrophobicContact CD1-CD1 4.1Å; Y60-I319 HydrophobicContact CE1-CD1 3.57Å; Y60-I319 HydrophobicContact CE2-CG2 4.02Å; L113-I319 WeakPolarHBondContact CB-O 3.5Å; L113-I319 PolarHBondContact N-O 3.47Å; L113-I319 PolarHBondContact O-N 2.62Å; L115-I319 HydrophobicContact CD1-CD1 3.9Å; L115-I319 HydrophobicContact CD1-CG1 3.96Å
320G94.9Very high86.7Confident0 Ų039.6 Ų39.60%021%0.205CC..EExtended strand (participates in β ladder)trans-85.3136.8174.900000111.8Q37 S38 L39 Y110 I111Q37-G320 PolarHBondContact O-N 3.27Å; S38-G320 CarbonylContact C-O 3.49Å; S38-G320 WeakPolarHBondContact CA-O 3.19Å; L39-G320 PolarHBondContact N-O 2.9Å; Y110-G320 VanDerWaalsContact OH-CA 3.26Å; Y110-G320 WeakPolarHBondContact OH-CA 3.39Å; I111-G320 CarbonylContact O-C 3.59Å; I111-G320 WeakPolarHBondContact O-CA 3.41Å
321V94.8Very high86.5Confident1 Ų148.6 Ų48.61%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-119.6113.7170.8-175.90000107.6L39 L56 I111 L113L39-V321 HydrophobicContact CD1-CG2 4.02Å; L56-V321 HydrophobicContact CD1-CG1 4.34Å; I111-V321 PolarHBondContact N-O 3.09Å; I111-V321 PolarHBondContact O-N 3.27Å; L113-V321 HydrophobicContact CD1-CG2 4.48Å
322L93.1Very high86.4Confident0 Ų051.1 Ų51.10%025%0.248CC..EExtended strand (participates in β ladder)trans-98.3116.3178.3-176.263.4000109.8L39 V40 V41 Y110 V324 L347 L509 L513L39-L322 PolarHBondContact O-N 3.35Å; V40-L322 HydrophobicContact CG1-CD2 4.23Å; V40-L322 HydrophobicContact CG2-CD2 4.38Å; V41-L322 PolarHBondContact N-O 3.38Å; V41-L322 VanDerWaalsContact N-O 3.15Å; Y110-L322 HydrophobicContact CD2-CB 4.01Å; Y110-L322 HydrophobicContact CD2-CD1 3.96Å; Y110-L322 HydrophobicContact CG-CD1 4.45Å; L322-V324 HydrophobicContact CD1-CG1 3.63Å; L322-V324 HydrophobicContact CD2-CG1 4.22Å; L322-V324 HydrophobicContact CG-CG1 3.84Å; L322-L347 HydrophobicContact CD2-CD1 4.23Å; L322-L347 HydrophobicContact CD2-CD2 3.65Å; L322-L509 HydrophobicContact CD1-CD1 4.16Å; L322-L509 HydrophobicContact CD1-CD2 3.79Å; L322-L509 HydrophobicContact CD2-CD2 4.12Å; L322-L513 HydrophobicContact CD2-CD1 4.13Å
323D89.6Confident86.8Confident4 Ų443 Ų432%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-118.297.1171.5-175.921000108.6T50 K109T50-D323 VanDerWaalsContact CA-OD2 3.28Å; T50-D323 WeakPolarHBondContact CA-OD2 3.46Å; T50-D323 WeakPolarHBondContact CB-OD2 3.26Å; T50-D323 PolarHBondContact OG1-OD1 2.89Å; T50-D323 PolarHBondContact OG1-OD2 3.49Å; K109-D323 HydrophobicContact CD-CB 4.42Å; K109-D323 WeakPolarHBondContact CE-OD2 3.43Å; K109-D323 HydrophobicContact CG-CB 3.78Å; K109-D323 PolarHBondContact N-O 3.32Å; K109-D323 IonicContact NZ-OD2 3.1Å; K109-D323 CarbonylContact O-C 3.46Å; K109-D323 PolarHBondContact O-N 3.43Å
324V81.3Confident87.1Confident10 Ų1039.2 Ų39.26%0.06118%0.18CC..PPolyproline II helixtrans-102.1160.9177.9-720000110.9K49 L322 L347K49-V324 WeakPolarHBondContact CE-O 3.37Å; L322-V324 HydrophobicContact CD1-CG1 3.63Å; L322-V324 HydrophobicContact CD2-CG1 4.22Å; L322-V324 HydrophobicContact CG-CG1 3.84Å; V324-L347 HydrophobicContact CB-CD1 4.25Å; V324-L347 HydrophobicContact CG1-CD1 4.06Å; V324-L347 HydrophobicContact CG2-CD1 3.53Å
325Y78.8Confident87.3Confident8 Ų832.5 Ų32.53%0.03115%0.152CC..PPolyproline II helixtrans-49.7145.8168.3-40-103.1000111.3S105 R106 F107 G108 Y129 L130 I340 N344S105-Y325 WeakPolarHBondContact O-CD1 3.33Å; R106-Y325 WeakPolarHBondContact O-CE1 3.45Å; F107-Y325 VanDerWaalsContact C-CE1 3.45Å; F107-Y325 VanDerWaalsContact C-OH 3.26Å; F107-Y325 VanDerWaalsContact CA-CE1 3.4Å; F107-Y325 WeakPolarHBondContact CA-OH 3.36Å; G108-Y325 PolarHBondContact N-OH 2.85Å; Y129-Y325 PolarHBondContact O-OH 3.5Å; L130-Y325 PolarHBondContact O-OH 3.47Å; Y325-I340 HydrophobicContact CD1-CD1 4.1Å; Y325-I340 HydrophobicContact CD1-CG1 4.21Å; Y325-I340 HydrophobicContact CD2-CG1 4.27Å; Y325-I340 HydrophobicContact CE1-CD1 4.34Å; Y325-I340 HydrophobicContact CE1-CG1 4.41Å; Y325-I340 HydrophobicContact CG-CD1 4.4Å; Y325-I340 HydrophobicContact CG-CG1 4.08Å; Y325-I340 HydrophobicContact CG-CG2 4.29Å; Y325-N344 PolarHBondContact O-ND2 3.27Å; Y325-N344 PolarHBondContact O-OD1 3.04Å
326G81.9Confident87.2Confident2 Ų231 Ų312%0.02115%0.147CC..PPolyproline II helixtrans-73.5161.7168.600000111.3G43 K49 E328 I340G43-G326 WeakPolarHBondContact O-CA 3.43Å; K49-G326 VanDerWaalsContact CE-N 3.32Å; G326-E328 VanDerWaalsContact O-CG 3.3Å; G326-E328 WeakPolarHBondContact O-CG 3.4Å; G326-E328 PolarHBondContact O-N 3.25Å; G326-I340 WeakPolarHBondContact O-CG2 3.37Å
327F86.1Confident87.4Confident9 Ų924.6 Ų24.64%0.03912%0.123CC..PPolyproline II helixtrans-54.7134.5165.6-171.2-92.4000110.4C329 N341 N344 H440 Y441 A442 V445F327-C329 HydrophobicContact CE1-CB 4.4Å; F327-N341 HydrophobicContact CD2-CB 4.24Å; F327-N341 WeakPolarHBondContact CD2-OD1 3.47Å; F327-N341 HydrophobicContact CE2-CB 3.95Å; F327-N344 HydrophobicContact CD2-CB 4.41Å; F327-H440 HydrophobicContact CE2-CB 3.61Å; F327-H440 AromaticContact CE2-CG 3.83Å; F327-H440 HydrophobicContact CZ-CB 3.75Å; F327-Y441 HydrophobicContact CD2-CE1 4.25Å; F327-A442 HydrophobicContact CD1-CB 3.68Å; F327-A442 HydrophobicContact CD2-CB 3.9Å; F327-A442 HydrophobicContact CE1-CB 3.69Å; F327-A442 HydrophobicContact CE2-CB 3.91Å; F327-A442 HydrophobicContact CG-CB 3.78Å; F327-A442 HydrophobicContact CZ-CB 3.8Å; F327-V445 HydrophobicContact CE1-CG2 3.93Å; F327-V445 HydrophobicContact CZ-CG2 3.55Å
328E83.6Confident87.6Confident1 Ų124.3 Ų24.31%0.00512%0.122CC..  trans-125.5133.6-176.2-54.1-159.914400111.4R106 G326 F330 Q337 I340 N341R106-E328 IonicContact CZ-OE1 3.48Å; R106-E328 IonicContact CZ-OE2 3.16Å; R106-E328 IonicContact NH1-OE1 3.9Å; R106-E328 PolarHBondContact NH1-OE1 3.37Å; R106-E328 IonicContact NH1-OE2 2.71Å; R106-E328 PolarHBondContact NH1-OE2 2.81Å; R106-E328 IonicContact NH2-OE2 3.75Å; R106-E328 PolarHBondContact NH2-OE2 3.49Å; R106-E328 VanDerWaalsContact NH2-OE2 3.08Å; G326-E328 VanDerWaalsContact O-CG 3.3Å; G326-E328 WeakPolarHBondContact O-CG 3.4Å; G326-E328 PolarHBondContact O-N 3.25Å; E328-F330 HydrophobicContact CB-CE2 4.03Å; E328-F330 HydrophobicContact CB-CZ 4.03Å; E328-F330 HydrophobicContact CG-CZ 4.28Å; E328-F330 VanDerWaalsContact OE2-CE2 3.27Å; E328-F330 WeakPolarHBondContact OE2-CE2 3.28Å; E328-F330 WeakPolarHBondContact OE2-CZ 3.08Å; E328-Q337 HydrophobicContact CB-CG 4.47Å; E328-I340 HydrophobicContact CG-CG2 4.17Å; E328-N341 PolarHBondContact N-OD1 3.06Å; E328-N341 PolarHBondContact O-ND2 2.93Å; E328-N341 PolarHBondContact O-OD1 3.36Å
329C85.2Confident87.6Confident42 Ų4223.8 Ų23.828%0.28412%0.119SC..  trans-138.7106.8172-1790000108.7R100 F327 V445R100-C329 PolarHBondContact NH2-O 3.4Å; F327-C329 HydrophobicContact CE1-CB 4.4Å; C329-V445 HydrophobicContact CB-CG2 4.12Å
330F82.9Confident87.3Confident41 Ų4123.9 Ų23.918%0.1812%0.12CC..  trans-106.9172.8179.1-57.5-47.8000111.2E328 I332 N333 Q337E328-F330 HydrophobicContact CB-CE2 4.03Å; E328-F330 HydrophobicContact CB-CZ 4.03Å; E328-F330 HydrophobicContact CG-CZ 4.28Å; E328-F330 VanDerWaalsContact OE2-CE2 3.27Å; E328-F330 WeakPolarHBondContact OE2-CE2 3.28Å; E328-F330 WeakPolarHBondContact OE2-CZ 3.08Å; F330-I332 PolarHBondContact O-N 2.84Å; F330-N333 PolarHBondContact N-OD1 2.83Å; F330-N333 PolarHBondContact O-ND2 3.48Å; F330-Q337 HydrophobicContact CD2-CG 3.8Å; F330-Q337 HydrophobicContact CE2-CG 4.02Å
331Q82.6Confident87.1Confident199 Ų19923.9 Ų23.993%0.9312%0.12SC*.SBendtrans-62.4-35.1172.5-66.7179.8-4.800111.6
332I83Confident87.1Confident95 Ų9523.8 Ų23.849%0.48712%0.12SC..SBendtrans-126.8113.4177.3-61.8173.3000107.7F330 Q448F330-I332 PolarHBondContact O-N 2.84Å; I332-Q448 HydrophobicContact CG2-CG 4.48Å; I332-Q448 VanDerWaalsContact CG2-OE1 3.32Å
333N88.2Confident87Confident4 Ų424.1 Ų24.12%0.02112%0.122CC..BIsolated β-bridgetrans-110.9131.9178.1-51.5-76.2000110F330 Q337 V445 S446 Y447 Q448F330-N333 PolarHBondContact N-OD1 2.83Å; F330-N333 PolarHBondContact O-ND2 3.48Å; N333-Q337 HydrophobicContact CB-CB 3.96Å; N333-Q337 HydrophobicContact CB-CG 4.24Å; N333-V445 HydrophobicContact CB-CG1 4.23Å; N333-S446 WeakPolarHBondContact CB-O 3.34Å; N333-S446 PolarHBondContact ND2-O 2.95Å; N333-Y447 HydrophobicContact CB-CD1 3.62Å; N333-Y447 HydrophobicContact CB-CE1 3.95Å; N333-Y447 HydrophobicContact CB-CG 4.48Å; N333-Y447 WeakPolarHBondContact O-CA 3.49Å; N333-Q448 PolarHBondContact O-N 3.38Å
334N88.9Confident87Confident40 Ų4024.1 Ų24.121%0.21412%0.122CC..  trans-113.8-167.6-177.7-68.6-48.2000111.4E336 Q337 L338N334-E336 WeakPolarHBondContact CB-OE2 3.49Å; N334-E336 PolarHBondContact O-N 2.93Å; N334-Q337 PolarHBondContact O-N 2.91Å; N334-L338 PolarHBondContact O-N 2.75Å; N334-L338 VanDerWaalsContact O-N 3.1Å
335L89.1Confident87.6Confident6 Ų623.7 Ų23.73%0.03112%0.12CC..Hα-helixtrans-53.4-39.9175.8-17760.9000112.9L338 C339 M452 K455 N456 I499L335-L338 WeakPolarHBondContact O-CB 3.5Å; L335-L338 PolarHBondContact O-N 2.75Å; L335-C339 PolarHBondContact O-N 2.72Å; L335-C339 PolarHBondContact O-SG 2.81Å; L335-C339 VanDerWaalsContact O-SG 3.41Å; L335-M452 HydrophobicContact CB-CE 4.3Å; L335-M452 HydrophobicContact CB-CG 3.96Å; L335-M452 HydrophobicContact CD1-CE 4.18Å; L335-M452 HydrophobicContact CD1-CG 4.07Å; L335-K455 HydrophobicContact CB-CB 4.32Å; L335-K455 HydrophobicContact CB-CD 4.27Å; L335-K455 HydrophobicContact CD2-CB 3.71Å; L335-N456 HydrophobicContact CD2-CB 3.88Å; L335-I499 HydrophobicContact CD1-CD1 3.71Å; L335-I499 HydrophobicContact CD1-CG1 3.83Å
336E86.3Confident88.2Confident26 Ų2624.5 Ų24.512%0.12112%0.123CC..Hα-helixtrans-62.8-46.8-177.6-59.890.1155.700111.2E132 T134 N334 L338 C339 I340 K455E132-E336 HydrophobicContact CG-CG 4.33Å; T134-E336 WeakPolarHBondContact CB-OE1 3.29Å; T134-E336 WeakPolarHBondContact CG2-OE1 3.29Å; T134-E336 PolarHBondContact OG1-OE1 2.91Å; N334-E336 WeakPolarHBondContact CB-OE2 3.49Å; N334-E336 PolarHBondContact O-N 2.93Å; E336-L338 VanDerWaalsContact C-N 3.34Å; E336-L338 PolarHBondContact O-N 2.93Å; E336-C339 PolarHBondContact O-N 3.07Å; E336-I340 VanDerWaalsContact O-CG1 3.3Å; E336-I340 WeakPolarHBondContact O-CG1 3.41Å; E336-I340 PolarHBondContact O-N 3.34Å; E336-K455 IonicContact OE1-NZ 2.77Å; E336-K455 PolarHBondContact OE1-NZ 3.46Å; E336-K455 IonicContact OE2-NZ 3.55Å; E336-K455 PolarHBondContact OE2-NZ 2.91Å
337Q88.9Confident88.7Confident9 Ų924.9 Ų24.94%0.04212%0.124CC..Hα-helixtrans-64-38.6174.8-74.768.648.600111.6E328 F330 N333 N334 C339 I340 N341 Y447E328-Q337 HydrophobicContact CB-CG 4.47Å; F330-Q337 HydrophobicContact CD2-CG 3.8Å; F330-Q337 HydrophobicContact CE2-CG 4.02Å; N333-Q337 HydrophobicContact CB-CB 3.96Å; N333-Q337 HydrophobicContact CB-CG 4.24Å; N334-Q337 PolarHBondContact O-N 2.91Å; Q337-C339 VanDerWaalsContact C-N 3.34Å; Q337-C339 PolarHBondContact O-N 2.87Å; Q337-I340 PolarHBondContact O-N 3.36Å; Q337-N341 WeakPolarHBondContact O-CB 3.26Å; Q337-N341 VanDerWaalsContact O-CG 3.3Å; Q337-N341 PolarHBondContact O-N 2.93Å; Q337-N341 PolarHBondContact O-ND2 3.14Å; Q337-Y447 HydrophobicContact CB-CE1 4.14Å
338L93Very high88.9Confident0 Ų024.8 Ų24.80%012%0.124CC..Hα-helixtrans-60.5-44.9176.2-178.667.1000111.1N334 L335 E336 Y342 L385 V392 F393 L396 F436 Y447 M452N334-L338 PolarHBondContact O-N 2.75Å; N334-L338 VanDerWaalsContact O-N 3.1Å; L335-L338 WeakPolarHBondContact O-CB 3.5Å; L335-L338 PolarHBondContact O-N 2.75Å; E336-L338 VanDerWaalsContact C-N 3.34Å; E336-L338 PolarHBondContact O-N 2.93Å; L338-Y342 WeakPolarHBondContact O-CB 3.23Å; L338-Y342 PolarHBondContact O-N 3.26Å; L338-L385 HydrophobicContact CD1-CD2 3.93Å; L338-V392 HydrophobicContact CD2-CG1 4.23Å; L338-F393 HydrophobicContact CD2-CE1 3.79Å; L338-F393 HydrophobicContact CG-CE1 4.04Å; L338-L396 HydrophobicContact CD2-CD1 4.36Å; L338-F436 HydrophobicContact CD1-CZ 4.45Å; L338-F436 HydrophobicContact CD2-CZ 4.16Å; L338-Y447 VanDerWaalsContact CA-CE1 3.5Å; L338-Y447 HydrophobicContact CB-CD1 3.91Å; L338-Y447 HydrophobicContact CB-CE1 3.77Å; L338-Y447 HydrophobicContact CD1-CD1 4.36Å; L338-Y447 HydrophobicContact CD1-CD2 4.02Å; L338-Y447 HydrophobicContact CD1-CE1 4.06Å; L338-Y447 HydrophobicContact CD1-CE2 3.68Å; L338-Y447 HydrophobicContact CD1-CG 4.34Å; L338-M452 HydrophobicContact CB-CE 4.01Å; L338-M452 HydrophobicContact CD2-CE 3.5Å; L338-M452 HydrophobicContact CG-CE 4.38Å
339C91.8Very high89.3Confident1 Ų125.4 Ų25.41%0.00713%0.127CC..Hα-helixtrans-64.8-43.5175.9-68.10000112.1L130 L335 E336 Q337 Y342 A343 F502L130-C339 HydrophobicContact CD2-CB 3.42Å; L130-C339 VanDerWaalsContact CD2-CB 3.42Å; L335-C339 PolarHBondContact O-N 2.72Å; L335-C339 PolarHBondContact O-SG 2.81Å; L335-C339 VanDerWaalsContact O-SG 3.41Å; E336-C339 PolarHBondContact O-N 3.07Å; Q337-C339 VanDerWaalsContact C-N 3.34Å; Q337-C339 PolarHBondContact O-N 2.87Å; C339-Y342 PolarHBondContact O-N 3.31Å; C339-A343 PolarHBondContact O-N 2.79Å; C339-F502 HydrophobicContact CB-CD1 3.82Å; C339-F502 HydrophobicContact CB-CE1 3.7Å; C339-F502 HydrophobicContact CB-CZ 4.36Å; C339-F502 WeakPolarHBondContact O-CE1 3.4Å
340I89.1Confident89.6Confident3 Ų324.1 Ų24.12%0.01512%0.117CC..Hα-helixtrans-60.8-47.2177.3-72.1165.3000111.3Y325 G326 E328 E336 Q337 A343 N344Y325-I340 HydrophobicContact CD1-CD1 4.1Å; Y325-I340 HydrophobicContact CD1-CG1 4.21Å; Y325-I340 HydrophobicContact CD2-CG1 4.27Å; Y325-I340 HydrophobicContact CE1-CD1 4.34Å; Y325-I340 HydrophobicContact CE1-CG1 4.41Å; Y325-I340 HydrophobicContact CG-CD1 4.4Å; Y325-I340 HydrophobicContact CG-CG1 4.08Å; Y325-I340 HydrophobicContact CG-CG2 4.29Å; G326-I340 WeakPolarHBondContact O-CG2 3.37Å; E328-I340 HydrophobicContact CG-CG2 4.17Å; E336-I340 VanDerWaalsContact O-CG1 3.3Å; E336-I340 WeakPolarHBondContact O-CG1 3.41Å; E336-I340 PolarHBondContact O-N 3.34Å; Q337-I340 PolarHBondContact O-N 3.36Å; I340-A343 PolarHBondContact O-N 2.9Å; I340-N344 PolarHBondContact O-N 2.94Å; I340-N344 VanDerWaalsContact O-N 3.11Å; I340-N344 PolarHBondContact O-ND2 2.95Å
341N91.8Very high89.9Confident0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-69.6-37.8-179.2-70.3-19.2000111.3F327 E328 Q337 A343 N344 E345 Y447F327-N341 HydrophobicContact CD2-CB 4.24Å; F327-N341 WeakPolarHBondContact CD2-OD1 3.47Å; F327-N341 HydrophobicContact CE2-CB 3.95Å; E328-N341 PolarHBondContact N-OD1 3.06Å; E328-N341 PolarHBondContact O-ND2 2.93Å; E328-N341 PolarHBondContact O-OD1 3.36Å; Q337-N341 WeakPolarHBondContact O-CB 3.26Å; Q337-N341 VanDerWaalsContact O-CG 3.3Å; Q337-N341 PolarHBondContact O-N 2.93Å; Q337-N341 PolarHBondContact O-ND2 3.14Å; N341-A343 VanDerWaalsContact C-N 3.35Å; N341-A343 PolarHBondContact O-N 3.33Å; N341-N344 PolarHBondContact O-N 3.03Å; N341-E345 WeakPolarHBondContact O-CB 3.25Å; N341-E345 PolarHBondContact O-N 3.39Å; N341-Y447 WeakPolarHBondContact CB-OH 3.49Å; N341-Y447 PolarHBondContact ND2-OH 2.88Å
342Y93.3Very high90.1Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-59-41.6170.7162.6-111.6000112.7L338 C339 N344 E345 K346 L382 L385 E386 F393 F502 L506L338-Y342 WeakPolarHBondContact O-CB 3.23Å; L338-Y342 PolarHBondContact O-N 3.26Å; C339-Y342 PolarHBondContact O-N 3.31Å; Y342-N344 VanDerWaalsContact C-N 3.35Å; Y342-N344 PolarHBondContact O-N 2.83Å; Y342-E345 WeakPolarHBondContact O-CB 3.43Å; Y342-E345 PolarHBondContact O-N 3Å; Y342-K346 HydrophobicContact CE2-CD 4.24Å; Y342-K346 PolarHBondContact O-N 2.83Å; Y342-K346 PolarHBondContact OH-NZ 2.86Å; Y342-K346 VanDerWaalsContact OH-NZ 3.08Å; Y342-L382 HydrophobicContact CD2-CD2 4.12Å; Y342-L382 HydrophobicContact CE2-CD2 4.09Å; Y342-L385 HydrophobicContact CD2-CB 4.26Å; Y342-L385 HydrophobicContact CD2-CD1 4.13Å; Y342-E386 HydrophobicContact CE2-CB 3.99Å; Y342-E386 HydrophobicContact CE2-CG 4.01Å; Y342-E386 VanDerWaalsContact OH-CD 3.31Å; Y342-E386 PolarHBondContact OH-OE2 3.2Å; Y342-F393 AromaticContact CD1-CE2 3.62Å; Y342-F393 HydrophobicContact CD1-CE2 3.62Å; Y342-F393 AromaticContact CD1-CZ 3.8Å; Y342-F393 HydrophobicContact CD1-CZ 3.8Å; Y342-F393 AromaticContact CD2-CE2 3.69Å; Y342-F393 HydrophobicContact CD2-CE2 3.69Å; Y342-F393 HydrophobicContact CD2-CZ 4.07Å; Y342-F393 AromaticContact CE1-CE2 3.77Å; Y342-F393 HydrophobicContact CE1-CE2 3.77Å; Y342-F393 HydrophobicContact CE1-CZ 4.4Å; Y342-F393 AromaticContact CE2-CE2 3.82Å; Y342-F393 HydrophobicContact CE2-CE2 3.82Å; Y342-F393 AromaticContact CG-CE2 3.6Å; Y342-F393 HydrophobicContact CG-CE2 3.6Å; Y342-F393 AromaticContact CG-CZ 3.63Å; Y342-F393 HydrophobicContact CG-CZ 3.63Å; Y342-F393 AromaticContact CZ-CE2 3.87Å; Y342-F502 HydrophobicContact CD1-CD1 4.18Å; Y342-F502 AromaticContact CD1-CE1 3.85Å; Y342-F502 HydrophobicContact CD1-CE1 3.85Å; Y342-F502 HydrophobicContact CE1-CD1 4.34Å; Y342-F502 HydrophobicContact CE1-CE1 4.27Å; Y342-L506 HydrophobicContact CD1-CD2 3.98Å; Y342-L506 HydrophobicContact CE1-CD2 3.42Å; Y342-L506 VanDerWaalsContact CE1-CD2 3.42Å
343A91.7Very high90.3Very high6 Ų610.4 Ų10.45%0.056%0.057CC..Hα-helixtrans-64.1-40.3175.500000112.7C339 I340 N341 K346 L347 F502 L506C339-A343 PolarHBondContact O-N 2.79Å; I340-A343 PolarHBondContact O-N 2.9Å; N341-A343 VanDerWaalsContact C-N 3.35Å; N341-A343 PolarHBondContact O-N 3.33Å; A343-K346 PolarHBondContact O-N 3.25Å; A343-L347 WeakPolarHBondContact O-CG 3.38Å; A343-L347 PolarHBondContact O-N 3.18Å; A343-F502 HydrophobicContact CB-CE1 4.22Å; A343-F502 HydrophobicContact CB-CZ 3.8Å; A343-L506 HydrophobicContact CB-CD1 4.15Å; A343-L506 HydrophobicContact CB-CD2 3.99Å
344N90.3Very high90.1Very high5 Ų514 Ų143%0.0277%0.074CC..Hα-helixtrans-64.5-40.7173.7-81.8-82.3000111.8Y325 F327 I340 N341 Y342 K346 L347 Q348 Y441Y325-N344 PolarHBondContact O-ND2 3.27Å; Y325-N344 PolarHBondContact O-OD1 3.04Å; F327-N344 HydrophobicContact CD2-CB 4.41Å; I340-N344 PolarHBondContact O-N 2.94Å; I340-N344 VanDerWaalsContact O-N 3.11Å; I340-N344 PolarHBondContact O-ND2 2.95Å; N341-N344 PolarHBondContact O-N 3.03Å; Y342-N344 VanDerWaalsContact C-N 3.35Å; Y342-N344 PolarHBondContact O-N 2.83Å; N344-K346 VanDerWaalsContact C-N 3.34Å; N344-K346 PolarHBondContact O-N 3.12Å; N344-L347 PolarHBondContact O-N 3.31Å; N344-Q348 WeakPolarHBondContact O-CB 3.32Å; N344-Q348 PolarHBondContact O-N 3.33Å; N344-Y441 HydrophobicContact CB-CE1 4.1Å
345E92.6Very high89.6Confident1 Ų115.2 Ų15.21%0.0058%0.076CC..Hα-helixtrans-59.1-44.5175.1-156.171.5-128.400111.2N341 Y342 Q348 Q349 N378 C381 L382 H440 Y441N341-E345 WeakPolarHBondContact O-CB 3.25Å; N341-E345 PolarHBondContact O-N 3.39Å; Y342-E345 WeakPolarHBondContact O-CB 3.43Å; Y342-E345 PolarHBondContact O-N 3Å; E345-Q348 PolarHBondContact O-N 3.48Å; E345-Q349 PolarHBondContact O-N 2.99Å; E345-N378 PolarHBondContact O-ND2 3.44Å; E345-N378 VanDerWaalsContact OE1-CB 3.25Å; E345-N378 WeakPolarHBondContact OE1-CB 3.32Å; E345-N378 PolarHBondContact OE1-ND2 3.21Å; E345-C381 HydrophobicContact CG-CB 4.4Å; E345-L382 HydrophobicContact CB-CD2 3.83Å; E345-L382 HydrophobicContact CG-CD2 3.71Å; E345-L382 HydrophobicContact CG-CG 3.97Å; E345-H440 WeakPolarHBondContact OE2-CA 3.34Å; E345-H440 VanDerWaalsContact OE2-CB 3.27Å; E345-H440 WeakPolarHBondContact OE2-CB 3.32Å; E345-H440 IonicContact OE2-CG 2.85Å; E345-H440 IonicContact OE2-ND1 3.16Å; E345-H440 PolarHBondContact OE2-ND1 3.32Å; E345-Y441 PolarHBondContact OE1-N 3.38Å; E345-Y441 PolarHBondContact OE2-N 2.99Å
346K92.4Very high89.2Confident25 Ų2515.1 Ų15.111%0.1098%0.075CC..Hα-helixtrans-69.7-39.7-179.2-162.7157.5-175.3155.80112.5Y342 A343 N344 Q348 Q349 H350 L382 E386 L506 M510Y342-K346 HydrophobicContact CE2-CD 4.24Å; Y342-K346 PolarHBondContact O-N 2.83Å; Y342-K346 PolarHBondContact OH-NZ 2.86Å; Y342-K346 VanDerWaalsContact OH-NZ 3.08Å; A343-K346 PolarHBondContact O-N 3.25Å; N344-K346 VanDerWaalsContact C-N 3.34Å; N344-K346 PolarHBondContact O-N 3.12Å; K346-Q348 VanDerWaalsContact C-N 3.35Å; K346-Q349 PolarHBondContact O-N 2.94Å; K346-H350 PolarHBondContact O-N 3.48Å; K346-L382 HydrophobicContact CB-CD2 4.17Å; K346-E386 WeakPolarHBondContact CE-OE1 3.49Å; K346-E386 VanDerWaalsContact NZ-CD 3.29Å; K346-E386 IonicContact NZ-OE1 2.92Å; K346-E386 PolarHBondContact NZ-OE1 3.01Å; K346-E386 IonicContact NZ-OE2 2.73Å; K346-E386 PolarHBondContact NZ-OE2 3.31Å; K346-L506 HydrophobicContact CB-CD2 4.05Å; K346-L506 HydrophobicContact CD-CD2 3.64Å; K346-L506 HydrophobicContact CD-CG 4Å; K346-L506 HydrophobicContact CG-CD2 4.34Å; K346-M510 HydrophobicContact CD-CG 4.2Å; K346-M510 HydrophobicContact CG-CG 3.97Å; K346-M510 HydrophobicContact CG-SD 4.28Å
347L91.3Very high89.1Confident9 Ų917.5 Ų17.55%0.0478%0.083CC..Hα-helixtrans-65.5-38.5172.5-74.7169.4000112.2L322 V324 A343 N344 Q349 H350 F351 M510 L513L322-L347 HydrophobicContact CD2-CD1 4.23Å; L322-L347 HydrophobicContact CD2-CD2 3.65Å; V324-L347 HydrophobicContact CB-CD1 4.25Å; V324-L347 HydrophobicContact CG1-CD1 4.06Å; V324-L347 HydrophobicContact CG2-CD1 3.53Å; A343-L347 WeakPolarHBondContact O-CG 3.38Å; A343-L347 PolarHBondContact O-N 3.18Å; N344-L347 PolarHBondContact O-N 3.31Å; L347-Q349 VanDerWaalsContact C-N 3.34Å; L347-H350 PolarHBondContact O-N 3.35Å; L347-F351 PolarHBondContact O-N 3.12Å; L347-M510 HydrophobicContact CD2-CE 3.43Å; L347-M510 VanDerWaalsContact CD2-CE 3.43Å; L347-M510 HydrophobicContact CD2-SD 4.13Å; L347-M510 HydrophobicContact CG-CE 4.06Å; L347-L513 HydrophobicContact CD2-CD1 3.98Å
348Q90.8Very high88.9Confident8 Ų819 Ų194%0.03710%0.097CC..Hα-helixtrans-63.9-41.5174.2-17662.41300110.8N344 E345 K346 H350 F351 V352 Y441 R522 C547N344-Q348 WeakPolarHBondContact O-CB 3.32Å; N344-Q348 PolarHBondContact O-N 3.33Å; E345-Q348 PolarHBondContact O-N 3.48Å; K346-Q348 VanDerWaalsContact C-N 3.35Å; Q348-H350 VanDerWaalsContact C-N 3.34Å; Q348-H350 PolarHBondContact O-N 3.46Å; Q348-F351 WeakPolarHBondContact O-CA 3.39Å; Q348-F351 WeakPolarHBondContact O-CB 3.39Å; Q348-F351 PolarHBondContact O-N 3.43Å; Q348-F351 VanDerWaalsContact O-N 3.11Å; Q348-V352 HydrophobicContact CG-CG2 4.47Å; Q348-V352 WeakPolarHBondContact O-CG2 3.36Å; Q348-V352 PolarHBondContact O-N 3.2Å; Q348-Y441 HydrophobicContact CB-CD1 4.04Å; Q348-Y441 HydrophobicContact CB-CE1 4.05Å; Q348-Y441 HydrophobicContact CB-CG 4.3Å; Q348-Y441 HydrophobicContact CG-CD1 4.16Å; Q348-Y441 HydrophobicContact CG-CD2 3.99Å; Q348-Y441 HydrophobicContact CG-CE1 4.47Å; Q348-Y441 HydrophobicContact CG-CE2 4.3Å; Q348-Y441 HydrophobicContact CG-CG 3.89Å; Q348-R522 VanDerWaalsContact OE1-NH1 3.12Å; Q348-C547 PolarHBondContact NE2-O 2.94Å
349Q92.1Very high88.3Confident13 Ų1319.4 Ų19.46%0.06110%0.099CC..Hα-helixtrans-67.2-36.4177.1-177.262.4-14.900112.5E345 K346 L347 F351 V352 A353 D377 N378 L382E345-Q349 PolarHBondContact O-N 2.99Å; K346-Q349 PolarHBondContact O-N 2.94Å; L347-Q349 VanDerWaalsContact C-N 3.34Å; Q349-F351 VanDerWaalsContact C-N 3.26Å; Q349-F351 PolarHBondContact O-N 2.73Å; Q349-V352 PolarHBondContact O-N 3.11Å; Q349-A353 VanDerWaalsContact O-CB 3.25Å; Q349-A353 WeakPolarHBondContact O-CB 3.24Å; Q349-A353 PolarHBondContact O-N 2.83Å; Q349-D377 PolarHBondContact NE2-OD1 3.21Å; Q349-D377 PolarHBondContact OE1-OD1 2.95Å; Q349-N378 WeakPolarHBondContact CA-OD1 3.26Å; Q349-N378 WeakPolarHBondContact CB-OD1 3.1Å; Q349-N378 PolarHBondContact OE1-OD1 3.18Å; Q349-L382 HydrophobicContact CB-CD1 3.35Å; Q349-L382 HydrophobicContact CG-CD1 3.63Å
350H90.9Very high88Confident16 Ų1619.4 Ų19.47%0.07410%0.099CC..Hα-helixtrans-60-39.2171.9-178.9-98.9000111.3K346 L347 Q348 H354 M510 Y520K346-H350 PolarHBondContact O-N 3.48Å; L347-H350 PolarHBondContact O-N 3.35Å; Q348-H350 VanDerWaalsContact C-N 3.34Å; Q348-H350 PolarHBondContact O-N 3.46Å; H350-H354 WeakPolarHBondContact O-CB 3.5Å; H350-H354 PolarHBondContact O-N 3.01Å; H350-M510 HydrophobicContact CB-SD 4.26Å; H350-Y520 PolarHBondContact CE1-OH 2.79Å; H350-Y520 VanDerWaalsContact CE1-OH 3.27Å; H350-Y520 AromaticContact ND1-CZ 3.9Å; H350-Y520 PolarHBondContact ND1-OH 3.38Å
351F89.4Confident87.9Confident10 Ų1024.5 Ų24.54%0.04412%0.123CC..Hα-helixtrans-64.6-48.5172.8173.1-98.3000112.6L347 Q348 Q349 H354 Y355 L356 Y520 T552L347-F351 PolarHBondContact O-N 3.12Å; Q348-F351 WeakPolarHBondContact O-CA 3.39Å; Q348-F351 WeakPolarHBondContact O-CB 3.39Å; Q348-F351 PolarHBondContact O-N 3.43Å; Q348-F351 VanDerWaalsContact O-N 3.11Å; Q349-F351 VanDerWaalsContact C-N 3.26Å; Q349-F351 PolarHBondContact O-N 2.73Å; F351-H354 PolarHBondContact O-N 3.13Å; F351-Y355 HydrophobicContact CE2-CG 4.11Å; F351-Y355 HydrophobicContact CZ-CD1 4.44Å; F351-Y355 HydrophobicContact CZ-CG 4.4Å; F351-Y355 WeakPolarHBondContact O-CA 3.44Å; F351-Y355 VanDerWaalsContact O-CB 3.28Å; F351-Y355 WeakPolarHBondContact O-CB 3.26Å; F351-Y355 PolarHBondContact O-N 3.24Å; F351-L356 HydrophobicContact CE1-CD1 4.47Å; F351-L356 HydrophobicContact CE1-CG 4.49Å; F351-Y520 WeakPolarHBondContact CA-OH 2.95Å; F351-Y520 HydrophobicContact CB-CD1 4.38Å; F351-Y520 HydrophobicContact CB-CE1 3.79Å; F351-Y520 AromaticContact CD2-CD1 3.78Å; F351-Y520 HydrophobicContact CD2-CD1 3.78Å; F351-Y520 AromaticContact CD2-CD2 3.75Å; F351-Y520 HydrophobicContact CD2-CD2 3.75Å; F351-Y520 AromaticContact CD2-CE1 3.9Å; F351-Y520 HydrophobicContact CD2-CE1 3.9Å; F351-Y520 AromaticContact CD2-CE2 3.87Å; F351-Y520 HydrophobicContact CD2-CE2 3.87Å; F351-Y520 AromaticContact CD2-CG 3.68Å; F351-Y520 HydrophobicContact CD2-CG 3.68Å; F351-Y520 AromaticContact CD2-CZ 3.92Å; F351-Y520 HydrophobicContact CE2-CD2 4.24Å; F351-Y520 HydrophobicContact CE2-CG 4.17Å; F351-Y520 HydrophobicContact CG-CE1 4.34Å; F351-Y520 PolarHBondContact N-OH 3.39Å; F351-T552 HydrophobicContact CZ-CG2 4.09Å; F351-T552 VanDerWaalsContact CZ-OG1 3.3Å; F351-T552 WeakPolarHBondContact CZ-OG1 3.41Å
352V88.2Confident87.6Confident1 Ų126 Ų261%0.00613%0.129CC..Iπ-helixtrans-60.6-48.3179.8171.40000110.7Q348 Q349 L356 R357 Y375Q348-V352 HydrophobicContact CG-CG2 4.47Å; Q348-V352 WeakPolarHBondContact O-CG2 3.36Å; Q348-V352 PolarHBondContact O-N 3.2Å; Q349-V352 PolarHBondContact O-N 3.11Å; V352-L356 HydrophobicContact CB-CD1 4.42Å; V352-L356 HydrophobicContact CG1-CD1 4.3Å; V352-L356 HydrophobicContact CG2-CD1 4.11Å; V352-L356 WeakPolarHBondContact O-CA 3.3Å; V352-L356 WeakPolarHBondContact O-CB 3.34Å; V352-L356 PolarHBondContact O-N 2.92Å; V352-R357 PolarHBondContact O-N 3.45Å; V352-Y375 HydrophobicContact CG1-CD2 3.64Å; V352-Y375 HydrophobicContact CG1-CE2 3.34Å
353A87.1Confident87.2Confident35 Ų3526 Ų2629%0.28913%0.13SC..Iπ-helixtrans-62.5-48.1178.700000112.1Q349 A358Q349-A353 VanDerWaalsContact O-CB 3.25Å; Q349-A353 WeakPolarHBondContact O-CB 3.24Å; Q349-A353 PolarHBondContact O-N 2.83Å; A353-A358 VanDerWaalsContact O-CB 3.31Å; A353-A358 WeakPolarHBondContact O-CB 3.37Å; A353-A358 PolarHBondContact O-N 3.46Å
354H82.8Confident87Confident79 Ų7929 Ų2937%0.36615%0.147SC..Iπ-helixtrans-78-35.6-174.6-172.7-76.7000113.6H350 F351 P518H350-H354 WeakPolarHBondContact O-CB 3.5Å; H350-H354 PolarHBondContact O-N 3.01Å; F351-H354 PolarHBondContact O-N 3.13Å; H354-P518 VanDerWaalsContact CE1-CG 3.47Å; H354-P518 WeakPolarHBondContact CE1-CG 3.43Å
355Y78.3Confident86.8Confident67 Ų6731.9 Ų31.926%0.26317%0.168SC..Iπ-helixtrans-103.4-37.2-173.9-159.8-79.8000113.4F351 Q359 T552 S556F351-Y355 HydrophobicContact CE2-CG 4.11Å; F351-Y355 HydrophobicContact CZ-CD1 4.44Å; F351-Y355 HydrophobicContact CZ-CG 4.4Å; F351-Y355 WeakPolarHBondContact O-CA 3.44Å; F351-Y355 VanDerWaalsContact O-CB 3.28Å; F351-Y355 WeakPolarHBondContact O-CB 3.26Å; F351-Y355 PolarHBondContact O-N 3.24Å; Y355-Q359 VanDerWaalsContact CE2-NE2 3.28Å; Y355-Q359 WeakPolarHBondContact O-CB 3.38Å; Y355-Q359 WeakPolarHBondContact O-CG 3.42Å; Y355-Q359 PolarHBondContact O-OE1 2.94Å; Y355-T552 HydrophobicContact CD1-CG2 3.71Å; Y355-T552 HydrophobicContact CE1-CG2 3.29Å; Y355-S556 PolarHBondContact OH-OG 3.34Å
356L81.2Confident86.6Confident3 Ų332.5 Ų32.52%0.01617%0.17CC..Iπ-helixtrans-95.5-44-176.2-52.2177.6000112.1F351 V352 Q360 Y375 I555F351-L356 HydrophobicContact CE1-CD1 4.47Å; F351-L356 HydrophobicContact CE1-CG 4.49Å; V352-L356 HydrophobicContact CB-CD1 4.42Å; V352-L356 HydrophobicContact CG1-CD1 4.3Å; V352-L356 HydrophobicContact CG2-CD1 4.11Å; V352-L356 WeakPolarHBondContact O-CA 3.3Å; V352-L356 WeakPolarHBondContact O-CB 3.34Å; V352-L356 PolarHBondContact O-N 2.92Å; L356-Q360 WeakPolarHBondContact O-CG 3.37Å; L356-Q360 PolarHBondContact O-NE2 3.41Å; L356-Y375 HydrophobicContact CB-CD1 4.26Å; L356-Y375 HydrophobicContact CB-CD2 4.36Å; L356-Y375 HydrophobicContact CB-CG 4.17Å; L356-Y375 HydrophobicContact CD1-CD2 4.16Å; L356-Y375 HydrophobicContact CD1-CG 4.14Å; L356-I555 HydrophobicContact CB-CD1 4.15Å; L356-I555 HydrophobicContact CD2-CD1 3.7Å; L356-I555 HydrophobicContact CG-CD1 4.46Å
357R85.2Confident86.1Confident77 Ų7733.4 Ų33.429%0.29119%0.187SC..Iπ-helixtrans-79.8-57.8-177.9-168.2-176-63.8161.9-1.2111.9V352 Q359 Q360 E361 Y375 D377V352-R357 PolarHBondContact O-N 3.45Å; R357-Q359 PolarHBondContact O-N 3.21Å; R357-Q360 PolarHBondContact O-N 2.89Å; R357-Q360 VanDerWaalsContact O-N 3.12Å; R357-E361 WeakPolarHBondContact CD-OE1 2.99Å; R357-E361 HydrophobicContact CG-CG 4.44Å; R357-E361 VanDerWaalsContact CG-OE1 3.26Å; R357-E361 WeakPolarHBondContact CG-OE1 3.45Å; R357-E361 PolarHBondContact O-N 3.3Å; R357-Y375 WeakPolarHBondContact CB-OH 3.47Å; R357-Y375 PolarHBondContact NE-OH 2.92Å; R357-D377 IonicContact CZ-OD2 3.56Å; R357-D377 IonicContact NH2-OD1 2.85Å; R357-D377 IonicContact NH2-OD2 2.79Å; R357-D377 PolarHBondContact NH2-OD2 3.19Å
358A83.5Confident85.7Confident41 Ų4133.7 Ų33.734%0.33919%0.189SC..Hα-helixtrans-60.6-31.7-175.600000113.2A353 E362A353-A358 VanDerWaalsContact O-CB 3.31Å; A353-A358 WeakPolarHBondContact O-CB 3.37Å; A353-A358 PolarHBondContact O-N 3.46Å; A358-E362 VanDerWaalsContact O-CB 3.25Å; A358-E362 WeakPolarHBondContact O-CB 3.14Å; A358-E362 PolarHBondContact O-N 3.32Å
359Q79.8Confident85.1Confident7 Ų743 Ų433%0.03323%0.232CC..Hα-helixtrans-67-43.9176.3-68.5-168.21.100112.6Y355 R357 E362 Y363Y355-Q359 VanDerWaalsContact CE2-NE2 3.28Å; Y355-Q359 WeakPolarHBondContact O-CB 3.38Å; Y355-Q359 WeakPolarHBondContact O-CG 3.42Å; Y355-Q359 PolarHBondContact O-OE1 2.94Å; R357-Q359 PolarHBondContact O-N 3.21Å; Q359-E362 PolarHBondContact O-N 2.84Å; Q359-Y363 WeakPolarHBondContact O-CD2 3.42Å; Q359-Y363 PolarHBondContact O-N 2.86Å
360Q85.9Confident84.6Confident2 Ų244.3 Ų44.31%0.00924%0.237CC..Hα-helixtrans-70-39.9179.4-64.6-174.581.300111.2L356 R357 E362 Y363 V364 W370 F372 I555L356-Q360 WeakPolarHBondContact O-CG 3.37Å; L356-Q360 PolarHBondContact O-NE2 3.41Å; R357-Q360 PolarHBondContact O-N 2.89Å; R357-Q360 VanDerWaalsContact O-N 3.12Å; Q360-E362 VanDerWaalsContact C-N 3.32Å; Q360-E362 PolarHBondContact O-N 3.02Å; Q360-Y363 PolarHBondContact O-N 3.04Å; Q360-V364 WeakPolarHBondContact O-CG2 3.49Å; Q360-V364 PolarHBondContact O-N 2.89Å; Q360-V364 VanDerWaalsContact O-N 3.12Å; Q360-W370 HydrophobicContact CG-CZ2 4.31Å; Q360-F372 HydrophobicContact CB-CD1 4.26Å; Q360-F372 HydrophobicContact CB-CE1 4.09Å; Q360-I555 HydrophobicContact CG-CG2 4.39Å
361E87.2Confident84.1Confident109 Ų10948.1 Ų48.151%0.50927%0.265SS..Hα-helixtrans-61.1-40.7172.9-71.2174.7-178.900111.7R357 V364 S365R357-E361 WeakPolarHBondContact CD-OE1 2.99Å; R357-E361 HydrophobicContact CG-CG 4.44Å; R357-E361 VanDerWaalsContact CG-OE1 3.26Å; R357-E361 WeakPolarHBondContact CG-OE1 3.45Å; R357-E361 PolarHBondContact O-N 3.3Å; E361-V364 PolarHBondContact O-N 3.23Å; E361-S365 WeakPolarHBondContact O-CB 3.42Å; E361-S365 PolarHBondContact O-N 3.42Å; E361-S365 PolarHBondContact O-OG 3.27Å
362E85.7Confident83.7Confident31 Ų3154.3 Ų54.315%0.14529%0.292CS..Hα-helixtrans-60.3-48.2174.7-178.5175.8-141.700111.1A358 Q359 Q360 V364 S365 E366 R563 K628 F630A358-E362 VanDerWaalsContact O-CB 3.25Å; A358-E362 WeakPolarHBondContact O-CB 3.14Å; A358-E362 PolarHBondContact O-N 3.32Å; Q359-E362 PolarHBondContact O-N 2.84Å; Q360-E362 VanDerWaalsContact C-N 3.32Å; Q360-E362 PolarHBondContact O-N 3.02Å; E362-V364 VanDerWaalsContact C-N 3.33Å; E362-V364 PolarHBondContact O-N 3.5Å; E362-S365 WeakPolarHBondContact CA-OG 3.02Å; E362-S365 PolarHBondContact O-N 3.03Å; E362-S365 PolarHBondContact O-OG 3.39Å; E362-E366 HydrophobicContact CG-CG 4.24Å; E362-E366 WeakPolarHBondContact O-CB 3.11Å; E362-E366 VanDerWaalsContact O-CG 3.32Å; E362-E366 WeakPolarHBondContact O-CG 3.33Å; E362-E366 PolarHBondContact O-N 3.48Å; E362-R563 VanDerWaalsContact OE2-CD 3.27Å; E362-R563 WeakPolarHBondContact OE2-CD 3.32Å; E362-R563 IonicContact OE2-CZ 2.81Å; E362-R563 IonicContact OE2-NE 2.83Å; E362-R563 IonicContact OE2-NH1 3.85Å; E362-R563 PolarHBondContact OE2-NH1 3.33Å; E362-K628 WeakPolarHBondContact OE1-CD 3.39Å; E362-K628 WeakPolarHBondContact OE1-CE 3.45Å; E362-K628 IonicContact OE1-NZ 2.66Å; E362-K628 PolarHBondContact OE1-NZ 2.78Å; E362-F630 HydrophobicContact CG-CZ 4.25Å
363Y85.1Confident83.3Confident1 Ų156.1 Ų56.10%0.00430%0.303CS..Hα-helixtrans-57.7-44.7178.7-66-26.9000112.5Q359 Q360 E366 G367 L368 W370 F560 F630Q359-Y363 WeakPolarHBondContact O-CD2 3.42Å; Q359-Y363 PolarHBondContact O-N 2.86Å; Q360-Y363 PolarHBondContact O-N 3.04Å; Y363-E366 PolarHBondContact O-N 3.35Å; Y363-G367 PolarHBondContact O-N 3.39Å; Y363-L368 HydrophobicContact CD1-CD1 4.5Å; Y363-L368 HydrophobicContact CD1-CD2 3.93Å; Y363-L368 HydrophobicContact CG-CD2 4.21Å; Y363-L368 WeakPolarHBondContact O-CB 3.4Å; Y363-L368 WeakPolarHBondContact O-CD1 3.32Å; Y363-L368 PolarHBondContact O-N 2.87Å; Y363-W370 AromaticContact CD2-CD2 3.79Å; Y363-W370 HydrophobicContact CD2-CD2 3.79Å; Y363-W370 AromaticContact CD2-CE2 3.96Å; Y363-W370 AromaticContact CD2-CE3 3.86Å; Y363-W370 HydrophobicContact CD2-CE3 3.86Å; Y363-W370 HydrophobicContact CD2-CG 4.33Å; Y363-W370 HydrophobicContact CD2-CH2 4.21Å; Y363-W370 HydrophobicContact CD2-CZ2 4.18Å; Y363-W370 HydrophobicContact CD2-CZ3 4.07Å; Y363-W370 HydrophobicContact CE2-CE3 4.34Å; Y363-W370 HydrophobicContact CE2-CH2 4.01Å; Y363-W370 HydrophobicContact CE2-CZ2 4.23Å; Y363-W370 HydrophobicContact CE2-CZ3 4.08Å; Y363-F560 PolarHBondContact OH-N 3.41Å; Y363-F560 PolarHBondContact OH-O 2.79Å; Y363-F630 HydrophobicContact CD1-CD1 4.05Å; Y363-F630 AromaticContact CD1-CE1 3.58Å; Y363-F630 HydrophobicContact CD1-CE1 3.58Å; Y363-F630 HydrophobicContact CD1-CZ 4.3Å; Y363-F630 AromaticContact CE1-CD1 3.75Å; Y363-F630 HydrophobicContact CE1-CD1 3.75Å; Y363-F630 AromaticContact CE1-CE1 3.54Å; Y363-F630 HydrophobicContact CE1-CE1 3.54Å
364V86.8Confident83.1Confident69 Ų6963.9 Ų63.942%0.41833%0.33SS..Hα-helixtrans-65.4-44.3176.9175.50000111.2Q360 E361 E362 E366 G367 W370 F372Q360-V364 WeakPolarHBondContact O-CG2 3.49Å; Q360-V364 PolarHBondContact O-N 2.89Å; Q360-V364 VanDerWaalsContact O-N 3.12Å; E361-V364 PolarHBondContact O-N 3.23Å; E362-V364 VanDerWaalsContact C-N 3.33Å; E362-V364 PolarHBondContact O-N 3.5Å; V364-E366 VanDerWaalsContact C-N 3.27Å; V364-E366 PolarHBondContact O-N 2.82Å; V364-G367 PolarHBondContact O-N 3.38Å; V364-G367 VanDerWaalsContact O-N 3.17Å; V364-W370 HydrophobicContact CG2-CB 4.43Å; V364-F372 HydrophobicContact CG2-CE2 3.97Å; V364-F372 HydrophobicContact CG2-CZ 3.8Å
365S87.6Confident83Confident65 Ų6562.9 Ų62.946%0.45532%0.324SS..Hα-helixtrans-62.3-36.3-179.475.50000112.6E361 E362 G367 K626E361-S365 WeakPolarHBondContact O-CB 3.42Å; E361-S365 PolarHBondContact O-N 3.42Å; E361-S365 PolarHBondContact O-OG 3.27Å; E362-S365 WeakPolarHBondContact CA-OG 3.02Å; E362-S365 PolarHBondContact O-N 3.03Å; E362-S365 PolarHBondContact O-OG 3.39Å; S365-G367 VanDerWaalsContact C-N 3.31Å; S365-K626 PolarHBondContact O-NZ 3.14Å
366E87Confident83.1Confident14 Ų1465.4 Ų65.47%0.06534%0.338CS..Hα-helixtrans-81.6-8.7-179.1-71.6-74.4150.300113.2E362 Y363 V364 L368 G625 K626 T627 K628 F630E362-E366 HydrophobicContact CG-CG 4.24Å; E362-E366 WeakPolarHBondContact O-CB 3.11Å; E362-E366 VanDerWaalsContact O-CG 3.32Å; E362-E366 WeakPolarHBondContact O-CG 3.33Å; E362-E366 PolarHBondContact O-N 3.48Å; Y363-E366 PolarHBondContact O-N 3.35Å; V364-E366 VanDerWaalsContact C-N 3.27Å; V364-E366 PolarHBondContact O-N 2.82Å; E366-L368 HydrophobicContact CB-CD1 3.88Å; E366-G625 WeakPolarHBondContact O-CA 3.36Å; E366-G625 VanDerWaalsContact OE2-C 3.3Å; E366-G625 WeakPolarHBondContact OE2-CA 3.37Å; E366-K626 PolarHBondContact O-N 3.43Å; E366-K626 PolarHBondContact OE2-N 2.9Å; E366-T627 WeakPolarHBondContact OE1-CB 3.35Å; E366-T627 PolarHBondContact OE1-N 2.73Å; E366-T627 PolarHBondContact OE1-OG1 3.37Å; E366-T627 PolarHBondContact OE2-N 3.06Å; E366-K628 PolarHBondContact OE2-N 3.22Å; E366-F630 HydrophobicContact CB-CE2 3.7Å; E366-F630 HydrophobicContact CB-CZ 3.92Å; E366-F630 HydrophobicContact CG-CE2 3.81Å; E366-F630 HydrophobicContact CG-CZ 3.76Å
367G82.5Confident83.4Confident44 Ų4468.3 Ų68.345%0.45435%0.353SS..THydrogen-bonded Turntrans92.121.7173.400000114.9Y363 V364 S365Y363-G367 PolarHBondContact O-N 3.39Å; V364-G367 PolarHBondContact O-N 3.38Å; V364-G367 VanDerWaalsContact O-N 3.17Å; S365-G367 VanDerWaalsContact C-N 3.31Å
368L82.4Confident83.7Confident16 Ų1665.2 Ų65.28%0.08434%0.343CS..  trans-74.9138.1171.3-73.779.1000110.1Y363 E366 W370 F560 H623 F630Y363-L368 HydrophobicContact CD1-CD1 4.5Å; Y363-L368 HydrophobicContact CD1-CD2 3.93Å; Y363-L368 HydrophobicContact CG-CD2 4.21Å; Y363-L368 WeakPolarHBondContact O-CB 3.4Å; Y363-L368 WeakPolarHBondContact O-CD1 3.32Å; Y363-L368 PolarHBondContact O-N 2.87Å; E366-L368 HydrophobicContact CB-CD1 3.88Å; L368-W370 PolarHBondContact O-N 2.86Å; L368-F560 HydrophobicContact CD2-CD2 3.59Å; L368-F560 HydrophobicContact CD2-CE2 3.83Å; L368-H623 WeakPolarHBondContact CD1-CD2 3.37Å; L368-H623 WeakPolarHBondContact CD1-NE2 3.49Å; L368-H623 WeakPolarHBondContact CG-CD2 3.16Å; L368-F630 HydrophobicContact CD1-CD2 3.98Å; L368-F630 HydrophobicContact CD1-CE2 3.89Å; L368-F630 HydrophobicContact CD1-CG 4.4Å; L368-F630 HydrophobicContact CD1-CZ 4.23Å
369E78.8Confident84.1Confident204 Ų20466.4 Ų66.495%0.95334%0.341SS*.  trans-70.596166.9-69.3178-175.200108.4
370W80.5Confident84.7Confident40 Ų4068.9 Ų68.915%0.15236%0.359CS..  trans-118.1131.7-173.6-174.1-105.9000112.3Q360 Y363 V364 L368 V373 I555 A558Q360-W370 HydrophobicContact CG-CZ2 4.31Å; Y363-W370 AromaticContact CD2-CD2 3.79Å; Y363-W370 HydrophobicContact CD2-CD2 3.79Å; Y363-W370 AromaticContact CD2-CE2 3.96Å; Y363-W370 AromaticContact CD2-CE3 3.86Å; Y363-W370 HydrophobicContact CD2-CE3 3.86Å; Y363-W370 HydrophobicContact CD2-CG 4.33Å; Y363-W370 HydrophobicContact CD2-CH2 4.21Å; Y363-W370 HydrophobicContact CD2-CZ2 4.18Å; Y363-W370 HydrophobicContact CD2-CZ3 4.07Å; Y363-W370 HydrophobicContact CE2-CE3 4.34Å; Y363-W370 HydrophobicContact CE2-CH2 4.01Å; Y363-W370 HydrophobicContact CE2-CZ2 4.23Å; Y363-W370 HydrophobicContact CE2-CZ3 4.08Å; V364-W370 HydrophobicContact CG2-CB 4.43Å; L368-W370 PolarHBondContact O-N 2.86Å; W370-V373 HydrophobicContact CZ2-CG2 4.16Å; W370-I555 HydrophobicContact CZ2-CG2 4.32Å; W370-A558 HydrophobicContact CH2-CB 3.64Å; W370-A558 HydrophobicContact CZ3-CB 4.02Å; W370-A558 WeakPolarHBondContact CZ3-O 3.3Å
371S81.6Confident85Confident96 Ų9669 Ų6967%0.67136%0.36SS*.PPolyproline II helixtrans-93.3122.4167.7520000109.7V373S371-V373 PolarHBondContact O-N 3.42Å
372F80.8Confident85.3Confident139 Ų13964 Ų6461%0.6134%0.337SS*.PPolyproline II helixtrans-61.8121.5179.5-79.6-89.2000111Q360 V364Q360-F372 HydrophobicContact CB-CD1 4.26Å; Q360-F372 HydrophobicContact CB-CE1 4.09Å; V364-F372 HydrophobicContact CG2-CE2 3.97Å; V364-F372 HydrophobicContact CG2-CZ 3.8Å
373V80.3Confident85.7Confident40 Ų4066.5 Ų66.524%0.24235%0.351CS..PPolyproline II helixtrans-84.7122.4173.2-177.90000107.4W370 S371 Y375 I555W370-V373 HydrophobicContact CZ2-CG2 4.16Å; S371-V373 PolarHBondContact O-N 3.42Å; V373-Y375 PolarHBondContact O-N 3.3Å; V373-I555 HydrophobicContact CB-CD1 4.28Å; V373-I555 HydrophobicContact CB-CG1 3.73Å; V373-I555 HydrophobicContact CG1-CG1 3.99Å; V373-I555 HydrophobicContact CG2-CG1 4.02Å
374K81.5Confident86.1Confident198 Ų19866.5 Ų66.586%0.86135%0.351SS*.PPolyproline II helixtrans-64.5131174.7-68.1-175.6179.3-178.50109.2
375Y82.3Confident86.5Confident57 Ų5763.2 Ų63.222%0.22433%0.332CS..  trans-128.8162.8174.261-91.8000110V352 L356 R357 V373 D377V352-Y375 HydrophobicContact CG1-CD2 3.64Å; V352-Y375 HydrophobicContact CG1-CE2 3.34Å; L356-Y375 HydrophobicContact CB-CD1 4.26Å; L356-Y375 HydrophobicContact CB-CD2 4.36Å; L356-Y375 HydrophobicContact CB-CG 4.17Å; L356-Y375 HydrophobicContact CD1-CD2 4.16Å; L356-Y375 HydrophobicContact CD1-CG 4.14Å; R357-Y375 WeakPolarHBondContact CB-OH 3.47Å; R357-Y375 PolarHBondContact NE-OH 2.92Å; V373-Y375 PolarHBondContact O-N 3.3Å; Y375-D377 HydrophobicContact CD2-CB 4.43Å; Y375-D377 HydrophobicContact CE2-CB 4.01Å; Y375-D377 PolarHBondContact O-N 3.07Å
376Q80.4Confident86.7Confident121 Ų12161.6 Ų61.657%0.56532%0.317SS*.  trans-80.7115.1175.1-59.9-177.624.900109.4
377D87.4Confident86.8Confident63 Ų6361.8 Ų61.834%0.33732%0.322SS..  trans-99.3125.4175.3-168.8-13.8000109.4Q349 R357 Y375 Q379Q349-D377 PolarHBondContact NE2-OD1 3.21Å; Q349-D377 PolarHBondContact OE1-OD1 2.95Å; R357-D377 IonicContact CZ-OD2 3.56Å; R357-D377 IonicContact NH2-OD1 2.85Å; R357-D377 IonicContact NH2-OD2 2.79Å; R357-D377 PolarHBondContact NH2-OD2 3.19Å; Y375-D377 HydrophobicContact CD2-CB 4.43Å; Y375-D377 HydrophobicContact CE2-CB 4.01Å; Y375-D377 PolarHBondContact O-N 3.07Å; D377-Q379 WeakPolarHBondContact OD1-CB 3.45Å; D377-Q379 PolarHBondContact OD1-N 3.46Å
378N90.6Very high86.7Confident12 Ų1265.4 Ų65.46%0.06434%0.34CS..  trans-99.711.9-178.269.2-44.6000113.4E345 Q349 S380 C381 L382E345-N378 PolarHBondContact O-ND2 3.44Å; E345-N378 VanDerWaalsContact OE1-CB 3.25Å; E345-N378 WeakPolarHBondContact OE1-CB 3.32Å; E345-N378 PolarHBondContact OE1-ND2 3.21Å; Q349-N378 WeakPolarHBondContact CA-OD1 3.26Å; Q349-N378 WeakPolarHBondContact CB-OD1 3.1Å; Q349-N378 PolarHBondContact OE1-OD1 3.18Å; N378-S380 VanDerWaalsContact C-N 3.27Å; N378-S380 PolarHBondContact O-N 3.48Å; N378-C381 WeakPolarHBondContact O-CB 3.21Å; N378-C381 PolarHBondContact O-N 2.98Å; N378-L382 PolarHBondContact O-N 2.98Å
379Q92Very high86.6Confident67 Ų6769.6 Ų69.631%0.31337%0.369SS..Hα-helixtrans-53.9-41.2175.9-16958.45100112.9D377 C381 L382 D383D377-Q379 WeakPolarHBondContact OD1-CB 3.45Å; D377-Q379 PolarHBondContact OD1-N 3.46Å; Q379-C381 PolarHBondContact O-N 3.49Å; Q379-L382 WeakPolarHBondContact O-CB 3.31Å; Q379-L382 PolarHBondContact O-N 2.88Å; Q379-L382 VanDerWaalsContact O-N 3.1Å; Q379-D383 PolarHBondContact NE2-OD1 2.85Å; Q379-D383 PolarHBondContact O-N 2.98Å
380S91.9Very high87.1Confident59 Ų5963.4 Ų63.441%0.41334%0.342SS..Hα-helixtrans-62-30.6179.255.60000113N378 L384 N424N378-S380 VanDerWaalsContact C-N 3.27Å; N378-S380 PolarHBondContact O-N 3.48Å; S380-L384 PolarHBondContact O-N 3.38Å; S380-N424 WeakPolarHBondContact CB-ND2 3.39Å; S380-N424 PolarHBondContact O-ND2 2.98Å; S380-N424 PolarHBondContact OG-ND2 3.11Å
381C93.6Very high87.7Confident3 Ų361.7 Ų61.72%0.0234%0.335CS..Hα-helixtrans-75.7-37.7176.1-170.90000110.9E345 N378 Q379 L384 L385 N424 A439E345-C381 HydrophobicContact CG-CB 4.4Å; N378-C381 WeakPolarHBondContact O-CB 3.21Å; N378-C381 PolarHBondContact O-N 2.98Å; Q379-C381 PolarHBondContact O-N 3.49Å; C381-L384 WeakPolarHBondContact O-CB 3.27Å; C381-L384 PolarHBondContact O-N 3.44Å; C381-L385 WeakPolarHBondContact O-CG 3.39Å; C381-L385 PolarHBondContact O-N 2.86Å; C381-N424 VanDerWaalsContact CA-ND2 3.29Å; C381-N424 WeakPolarHBondContact CA-ND2 3.41Å; C381-N424 PolarHBondContact N-ND2 3.22Å; C381-A439 PolarHBondContact SG-O 3.43Å; C381-A439 VanDerWaalsContact SG-O 3.32Å
382L93.4Very high88.3Confident4 Ų457.1 Ų57.12%0.02130%0.303CS..Hα-helixtrans-65.6-42.3172.3-71174000112.1Y342 E345 K346 Q349 N378 Q379 L384 L385 E386Y342-L382 HydrophobicContact CD2-CD2 4.12Å; Y342-L382 HydrophobicContact CE2-CD2 4.09Å; E345-L382 HydrophobicContact CB-CD2 3.83Å; E345-L382 HydrophobicContact CG-CD2 3.71Å; E345-L382 HydrophobicContact CG-CG 3.97Å; K346-L382 HydrophobicContact CB-CD2 4.17Å; Q349-L382 HydrophobicContact CB-CD1 3.35Å; Q349-L382 HydrophobicContact CG-CD1 3.63Å; N378-L382 PolarHBondContact O-N 2.98Å; Q379-L382 WeakPolarHBondContact O-CB 3.31Å; Q379-L382 PolarHBondContact O-N 2.88Å; Q379-L382 VanDerWaalsContact O-N 3.1Å; L382-L384 VanDerWaalsContact C-N 3.28Å; L382-L384 PolarHBondContact O-N 3.15Å; L382-L385 PolarHBondContact O-N 2.81Å; L382-E386 WeakPolarHBondContact O-CG 3.45Å; L382-E386 PolarHBondContact O-N 3.24Å
383D93.1Very high88.9Confident84 Ų8450.7 Ų50.745%0.44928%0.275SS..Hα-helixtrans-62.4-37.9178-64.3-18.9000111.1Q379 L385 G387Q379-D383 PolarHBondContact NE2-OD1 2.85Å; Q379-D383 PolarHBondContact O-N 2.98Å; D383-L385 VanDerWaalsContact C-N 3.35Å; D383-L385 PolarHBondContact O-N 3.25Å; D383-G387 WeakPolarHBondContact O-CA 3.25Å; D383-G387 PolarHBondContact O-N 3.04Å
384L94.1Very high89.4Confident2 Ų250 Ų501%0.0127%0.272CS..Hα-helixtrans-59-42.9171.4171.868.8000112.5S380 C381 L382 S391 V392 L419 N422 N424 I425 V438S380-L384 PolarHBondContact O-N 3.38Å; C381-L384 WeakPolarHBondContact O-CB 3.27Å; C381-L384 PolarHBondContact O-N 3.44Å; L382-L384 VanDerWaalsContact C-N 3.28Å; L382-L384 PolarHBondContact O-N 3.15Å; L384-S391 WeakPolarHBondContact O-CA 3.46Å; L384-S391 WeakPolarHBondContact O-CB 3.35Å; L384-V392 HydrophobicContact CD1-CG2 4.36Å; L384-V392 HydrophobicContact CG-CG2 4.34Å; L384-V392 PolarHBondContact O-N 3.25Å; L384-L419 HydrophobicContact CD1-CB 4.12Å; L384-L419 HydrophobicContact CD1-CD1 3.95Å; L384-L419 HydrophobicContact CD1-CD2 4.05Å; L384-L419 HydrophobicContact CD1-CG 4.28Å; L384-N422 HydrophobicContact CD1-CB 4.19Å; L384-N424 HydrophobicContact CD2-CB 3.94Å; L384-I425 HydrophobicContact CD1-CB 4.22Å; L384-I425 HydrophobicContact CD1-CD1 4.36Å; L384-I425 HydrophobicContact CD1-CG2 4.37Å; L384-I425 HydrophobicContact CD2-CB 3.93Å; L384-V438 HydrophobicContact CD2-CG1 4.13Å
385L94.2Very high89.9Confident0 Ų040.7 Ų40.70%023%0.232CC..Hα-helixtrans-81.8-44.9-174.3-68.6175000113L338 Y342 C381 L382 D383 S391 V392 F393L338-L385 HydrophobicContact CD1-CD2 3.93Å; Y342-L385 HydrophobicContact CD2-CB 4.26Å; Y342-L385 HydrophobicContact CD2-CD1 4.13Å; C381-L385 WeakPolarHBondContact O-CG 3.39Å; C381-L385 PolarHBondContact O-N 2.86Å; L382-L385 PolarHBondContact O-N 2.81Å; D383-L385 VanDerWaalsContact C-N 3.35Å; D383-L385 PolarHBondContact O-N 3.25Å; L385-S391 WeakPolarHBondContact O-CB 3.36Å; L385-V392 HydrophobicContact CD2-CB 4.26Å; L385-V392 HydrophobicContact CD2-CG2 4.25Å; L385-F393 HydrophobicContact CB-CE2 4.31Å; L385-F393 HydrophobicContact CB-CZ 4.43Å; L385-F393 VanDerWaalsContact O-CB 3.24Å; L385-F393 WeakPolarHBondContact O-CB 3.44Å; L385-F393 WeakPolarHBondContact O-CD2 3.45Å; L385-F393 WeakPolarHBondContact O-CG 3.21Å; L385-F393 PolarHBondContact O-N 2.85Å; L385-F393 VanDerWaalsContact O-N 3.08Å
386E93.2Very high90.4Very high31 Ų3138 Ų3815%0.14522%0.221CC..Hα-helixtrans-1251-170.473.8166.6164.300116Y342 K346 L382 F393 K503Y342-E386 HydrophobicContact CE2-CB 3.99Å; Y342-E386 HydrophobicContact CE2-CG 4.01Å; Y342-E386 VanDerWaalsContact OH-CD 3.31Å; Y342-E386 PolarHBondContact OH-OE2 3.2Å; K346-E386 WeakPolarHBondContact CE-OE1 3.49Å; K346-E386 VanDerWaalsContact NZ-CD 3.29Å; K346-E386 IonicContact NZ-OE1 2.92Å; K346-E386 PolarHBondContact NZ-OE1 3.01Å; K346-E386 IonicContact NZ-OE2 2.73Å; K346-E386 PolarHBondContact NZ-OE2 3.31Å; L382-E386 WeakPolarHBondContact O-CG 3.45Å; L382-E386 PolarHBondContact O-N 3.24Å; E386-F393 HydrophobicContact CB-CD2 4.08Å; E386-F393 HydrophobicContact CB-CE2 4.46Å; E386-K503 HydrophobicContact CB-CD 4.49Å; E386-K503 PolarHBondContact O-NZ 2.93Å; E386-K503 WeakPolarHBondContact OE2-CE 3.48Å; E386-K503 IonicContact OE2-NZ 3.27Å
387G87.4Confident90.8Very high17 Ų1733.3 Ų33.318%0.17520%0.2CC..  trans-58.9157.7-179.800000113.9D383 S391D383-G387 WeakPolarHBondContact O-CA 3.25Å; D383-G387 PolarHBondContact O-N 3.04Å; G387-S391 WeakPolarHBondContact O-CB 3.4Å; G387-S391 PolarHBondContact O-OG 2.94Å
388S81.4Confident90.9Very high120 Ų12034.1 Ų34.184%0.83920%0.202SC*.SBendtrans-117.9135.1178.7177.30000109
389P80.8Confident90.8Very high105 Ų10534.4 Ų34.468%0.68220%0.203SC*.SBendcis-89.1-19.86.931.6-31.6000115S394P389-S394 PolarHBondContact O-OG 2.91Å; P389-S394 VanDerWaalsContact O-OG 3.13Å
390I88.9Confident90.6Very high74 Ų7431.3 Ų31.338%0.37919%0.188SC..SBendtrans-113.7122.5-173-59.9168000109.4L395 E418 L419I390-L395 HydrophobicContact CG2-CD1 4.22Å; I390-E418 HydrophobicContact CG2-CB 3.91Å; I390-L419 HydrophobicContact CG2-CD2 3.82Å; I390-L419 HydrophobicContact CG2-CG 4.49Å
391S93.4Very high90.2Very high3 Ų335.2 Ų35.22%0.02119%0.194CC..  trans-155.3168.4174.855.10000110.7L384 L385 G387 F393 S394 L395L384-S391 WeakPolarHBondContact O-CA 3.46Å; L384-S391 WeakPolarHBondContact O-CB 3.35Å; L385-S391 WeakPolarHBondContact O-CB 3.36Å; G387-S391 WeakPolarHBondContact O-CB 3.4Å; G387-S391 PolarHBondContact O-OG 2.94Å; S391-F393 PolarHBondContact O-N 3.43Å; S391-S394 PolarHBondContact N-OG 2.96Å; S391-S394 PolarHBondContact O-N 2.91Å; S391-S394 PolarHBondContact O-OG 3.01Å; S391-S394 VanDerWaalsContact O-OG 3.13Å; S391-S394 PolarHBondContact OG-N 3.37Å; S391-L395 WeakPolarHBondContact O-CG 3.35Å; S391-L395 PolarHBondContact O-N 3.3Å
392V93.3Very high89.7Confident0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-55.2-43.8175.5176.70000110.4L338 L384 L385 L396 L419 F436L338-V392 HydrophobicContact CD2-CG1 4.23Å; L384-V392 HydrophobicContact CD1-CG2 4.36Å; L384-V392 HydrophobicContact CG-CG2 4.34Å; L384-V392 PolarHBondContact O-N 3.25Å; L385-V392 HydrophobicContact CD2-CB 4.26Å; L385-V392 HydrophobicContact CD2-CG2 4.25Å; V392-L396 HydrophobicContact CG1-CD1 3.91Å; V392-L396 HydrophobicContact CG1-CG 4.48Å; V392-L396 WeakPolarHBondContact O-CB 3.32Å; V392-L396 VanDerWaalsContact O-CG 3.26Å; V392-L396 WeakPolarHBondContact O-CG 3.48Å; V392-L396 PolarHBondContact O-N 3.38Å; V392-L419 HydrophobicContact CG2-CD1 3.63Å; V392-F436 HydrophobicContact CG1-CE2 4.26Å; V392-F436 HydrophobicContact CG1-CZ 4.05Å
393F93.8Very high88.7Confident4 Ų444.9 Ų44.92%0.01825%0.245CC..Hα-helixtrans-71-36.7179.2-65.6-18.1000113.6L338 Y342 L385 E386 S391 N397 I499L338-F393 HydrophobicContact CD2-CE1 3.79Å; L338-F393 HydrophobicContact CG-CE1 4.04Å; Y342-F393 AromaticContact CD1-CE2 3.62Å; Y342-F393 HydrophobicContact CD1-CE2 3.62Å; Y342-F393 AromaticContact CD1-CZ 3.8Å; Y342-F393 HydrophobicContact CD1-CZ 3.8Å; Y342-F393 AromaticContact CD2-CE2 3.69Å; Y342-F393 HydrophobicContact CD2-CE2 3.69Å; Y342-F393 HydrophobicContact CD2-CZ 4.07Å; Y342-F393 AromaticContact CE1-CE2 3.77Å; Y342-F393 HydrophobicContact CE1-CE2 3.77Å; Y342-F393 HydrophobicContact CE1-CZ 4.4Å; Y342-F393 AromaticContact CE2-CE2 3.82Å; Y342-F393 HydrophobicContact CE2-CE2 3.82Å; Y342-F393 AromaticContact CG-CE2 3.6Å; Y342-F393 HydrophobicContact CG-CE2 3.6Å; Y342-F393 AromaticContact CG-CZ 3.63Å; Y342-F393 HydrophobicContact CG-CZ 3.63Å; Y342-F393 AromaticContact CZ-CE2 3.87Å; L385-F393 HydrophobicContact CB-CE2 4.31Å; L385-F393 HydrophobicContact CB-CZ 4.43Å; L385-F393 VanDerWaalsContact O-CB 3.24Å; L385-F393 WeakPolarHBondContact O-CB 3.44Å; L385-F393 WeakPolarHBondContact O-CD2 3.45Å; L385-F393 WeakPolarHBondContact O-CG 3.21Å; L385-F393 PolarHBondContact O-N 2.85Å; L385-F393 VanDerWaalsContact O-N 3.08Å; E386-F393 HydrophobicContact CB-CD2 4.08Å; E386-F393 HydrophobicContact CB-CE2 4.46Å; S391-F393 PolarHBondContact O-N 3.43Å; F393-N397 VanDerWaalsContact O-CB 3.25Å; F393-N397 WeakPolarHBondContact O-CB 3.48Å; F393-N397 PolarHBondContact O-N 2.93Å; F393-N397 PolarHBondContact O-ND2 3.11Å; F393-I499 HydrophobicContact CB-CG2 3.72Å; F393-I499 HydrophobicContact CD1-CD1 3.99Å; F393-I499 HydrophobicContact CD1-CG1 4.46Å; F393-I499 HydrophobicContact CD1-CG2 3.7Å; F393-I499 HydrophobicContact CD2-CG2 3.84Å; F393-I499 HydrophobicContact CE1-CD1 4.49Å; F393-I499 HydrophobicContact CE1-CG2 4.25Å; F393-I499 HydrophobicContact CE2-CG2 4.38Å; F393-I499 HydrophobicContact CG-CG2 3.47Å; F393-I499 VanDerWaalsContact CG-CG2 3.47Å
394S91.8Very high88Confident25 Ų2547.7 Ų47.718%0.17525%0.25CC..Hα-helixtrans-65.1-45.1176.973.50000110.8P389 S391 N397 E398P389-S394 PolarHBondContact O-OG 2.91Å; P389-S394 VanDerWaalsContact O-OG 3.13Å; S391-S394 PolarHBondContact N-OG 2.96Å; S391-S394 PolarHBondContact O-N 2.91Å; S391-S394 PolarHBondContact O-OG 3.01Å; S391-S394 VanDerWaalsContact O-OG 3.13Å; S391-S394 PolarHBondContact OG-N 3.37Å; S394-N397 PolarHBondContact O-N 2.94Å; S394-E398 WeakPolarHBondContact O-CG 3.29Å; S394-E398 PolarHBondContact O-N 2.83Å
395L91.8Very high86.9Confident4 Ų451.8 Ų51.82%0.02128%0.284CS..Hα-helixtrans-64.8-42.4178.6-67.2172.3000112.6I390 S391 N397 E398 E399 R414 L415 E418 L419I390-L395 HydrophobicContact CG2-CD1 4.22Å; S391-L395 WeakPolarHBondContact O-CG 3.35Å; S391-L395 PolarHBondContact O-N 3.3Å; L395-N397 VanDerWaalsContact C-N 3.33Å; L395-N397 PolarHBondContact O-N 3.47Å; L395-E398 PolarHBondContact O-N 3.45Å; L395-E399 PolarHBondContact O-N 3.44Å; L395-R414 HydrophobicContact CD2-CG 4.47Å; L395-L415 HydrophobicContact CB-CD2 4.02Å; L395-L415 HydrophobicContact CD1-CD2 3.6Å; L395-L415 HydrophobicContact CD1-CG 4.45Å; L395-L415 HydrophobicContact CG-CD2 4.46Å; L395-E418 HydrophobicContact CD1-CB 4.16Å; L395-L419 HydrophobicContact CD1-CD1 4.13Å; L395-L419 HydrophobicContact CD1-CG 4.27Å
396L91.2Very high86Confident0 Ų053.5 Ų53.50%030%0.296CS..Hα-helixtrans-62.4-40.8173.7-75.5173.4000111.9L338 V392 S400 L411 M452 V453 I499L338-L396 HydrophobicContact CD2-CD1 4.36Å; V392-L396 HydrophobicContact CG1-CD1 3.91Å; V392-L396 HydrophobicContact CG1-CG 4.48Å; V392-L396 WeakPolarHBondContact O-CB 3.32Å; V392-L396 VanDerWaalsContact O-CG 3.26Å; V392-L396 WeakPolarHBondContact O-CG 3.48Å; V392-L396 PolarHBondContact O-N 3.38Å; L396-S400 VanDerWaalsContact O-CB 3.27Å; L396-S400 WeakPolarHBondContact O-CB 3.4Å; L396-S400 PolarHBondContact O-N 2.9Å; L396-S400 PolarHBondContact O-OG 2.79Å; L396-L411 HydrophobicContact CD2-CD1 4.49Å; L396-L411 HydrophobicContact CD2-CD2 3.83Å; L396-M452 HydrophobicContact CD1-SD 3.99Å; L396-M452 HydrophobicContact CD2-CG 4.32Å; L396-M452 HydrophobicContact CD2-SD 4.12Å; L396-V453 HydrophobicContact CD2-CG2 4.21Å; L396-I499 HydrophobicContact CB-CD1 3.99Å; L396-I499 HydrophobicContact CD1-CD1 3.74Å
397N89.9Confident85.6Confident22 Ų2256 Ų5612%0.11831%0.311CS..Hα-helixtrans-68.9-36178.1-73.5-26.6000112.3F393 S394 L395 S400 R401 N456 T497F393-N397 VanDerWaalsContact O-CB 3.25Å; F393-N397 WeakPolarHBondContact O-CB 3.48Å; F393-N397 PolarHBondContact O-N 2.93Å; F393-N397 PolarHBondContact O-ND2 3.11Å; S394-N397 PolarHBondContact O-N 2.94Å; L395-N397 VanDerWaalsContact C-N 3.33Å; L395-N397 PolarHBondContact O-N 3.47Å; N397-S400 WeakPolarHBondContact O-CB 3.45Å; N397-S400 PolarHBondContact O-N 2.84Å; N397-R401 VanDerWaalsContact O-CG 3.3Å; N397-R401 WeakPolarHBondContact O-CG 3.3Å; N397-R401 PolarHBondContact O-N 3.14Å; N397-N456 PolarHBondContact OD1-ND2 3.05Å; N397-T497 WeakPolarHBondContact OD1-CB 3.46Å; N397-T497 WeakPolarHBondContact OD1-CG2 3.46Å; N397-T497 PolarHBondContact OD1-OG1 3.4Å
398E89Confident85.4Confident81 Ų8156.6 Ų56.638%0.37931%0.312SS..Hα-helixtrans-66.1-50.1175.1-75.5176-161.400111.9S394 L395 S400 R401 L402 R414S394-E398 WeakPolarHBondContact O-CG 3.29Å; S394-E398 PolarHBondContact O-N 2.83Å; L395-E398 PolarHBondContact O-N 3.45Å; E398-S400 PolarHBondContact O-N 2.88Å; E398-R401 WeakPolarHBondContact O-CB 3.34Å; E398-R401 PolarHBondContact O-N 3.1Å; E398-L402 PolarHBondContact O-N 2.88Å; E398-R414 IonicContact OE2-CZ 2.95Å; E398-R414 IonicContact OE2-NH1 3.71Å; E398-R414 IonicContact OE2-NH2 3.89Å; E398-R414 PolarHBondContact OE2-NH2 2.72Å
399E88.3Confident85.6Confident17 Ų1755 Ų558%0.07930%0.297CS..Hα-helixtrans-60.7-32.8173.9-71.3-57.4140.200111.5L395 R401 L402 R404 L411 R414 V453L395-E399 PolarHBondContact O-N 3.44Å; E399-R401 PolarHBondContact O-N 3.15Å; E399-L402 PolarHBondContact O-N 2.98Å; E399-L402 WeakPolarHBondContact OE2-CD1 3Å; E399-R404 IonicContact OE1-NH2 3.16Å; E399-R404 IonicContact OE2-CZ 3.76Å; E399-R404 IonicContact OE2-NE 3.72Å; E399-R404 IonicContact OE2-NH2 2.73Å; E399-R404 PolarHBondContact OE2-NH2 2.73Å; E399-L411 HydrophobicContact CG-CD1 3.91Å; E399-R414 IonicContact OE1-CZ 3.08Å; E399-R414 IonicContact OE1-NH1 3.78Å; E399-R414 PolarHBondContact OE1-NH1 3.46Å; E399-V453 HydrophobicContact CB-CG1 4.47Å; E399-V453 HydrophobicContact CB-CG2 4.28Å
400S87.4Confident85.9Confident2 Ų252.4 Ų52.41%0.01428%0.284CS..Hα-helixtrans-66.6-24.6176.3-60.60000113.6L396 N397 E398 N456 K457L396-S400 VanDerWaalsContact O-CB 3.27Å; L396-S400 WeakPolarHBondContact O-CB 3.4Å; L396-S400 PolarHBondContact O-N 2.9Å; L396-S400 PolarHBondContact O-OG 2.79Å; N397-S400 WeakPolarHBondContact O-CB 3.45Å; N397-S400 PolarHBondContact O-N 2.84Å; E398-S400 PolarHBondContact O-N 2.88Å; S400-N456 PolarHBondContact OG-ND2 3.35Å; S400-K457 WeakPolarHBondContact O-CE 3.38Å
401R84.3Confident85.8Confident142 Ų14249.1 Ų49.154%0.53627%0.267SS..Hα-helixtrans-82.7-19.1177.2-70.4168.1-170.5-154.32.8112.6N397 E398 E399 N403 S494N397-R401 VanDerWaalsContact O-CG 3.3Å; N397-R401 WeakPolarHBondContact O-CG 3.3Å; N397-R401 PolarHBondContact O-N 3.14Å; E398-R401 WeakPolarHBondContact O-CB 3.34Å; E398-R401 PolarHBondContact O-N 3.1Å; E399-R401 PolarHBondContact O-N 3.15Å; R401-N403 PolarHBondContact O-N 3.43Å; R401-S494 PolarHBondContact NE-OG 3.49Å; R401-S494 PolarHBondContact NH2-OG 3.42Å
402L83.5Confident85.6Confident69 Ų6950.9 Ų50.936%0.36127%0.274SS..SBendtrans-71.3129.1177.9-57.2179.5000110.2E398 E399 R404 K457E398-L402 PolarHBondContact O-N 2.88Å; E399-L402 PolarHBondContact O-N 2.98Å; E399-L402 WeakPolarHBondContact OE2-CD1 3Å; L402-R404 HydrophobicContact CB-CG 4Å; L402-R404 PolarHBondContact O-N 2.89Å; L402-K457 PolarHBondContact O-NZ 2.86Å
403N71.6Confident85.4Confident140 Ų14052.7 Ų52.775%0.74929%0.292SS*.SBendtrans-81.544.7177-67.8-40.9000111.8R401 R495R401-N403 PolarHBondContact O-N 3.43Å; N403-R495 PolarHBondContact OD1-NH1 3.45Å
404R79.4Confident85.2Confident143 Ų14356 Ų5654%0.5430%0.304SS..SBendtrans-127.7163.3174.966.4178.9-178.4166.21.8110.5E399 L402 K457E399-R404 IonicContact OE1-NH2 3.16Å; E399-R404 IonicContact OE2-CZ 3.76Å; E399-R404 IonicContact OE2-NE 3.72Å; E399-R404 IonicContact OE2-NH2 2.73Å; E399-R404 PolarHBondContact OE2-NH2 2.73Å; L402-R404 HydrophobicContact CB-CG 4Å; L402-R404 PolarHBondContact O-N 2.89Å; R404-K457 PolarHBondContact O-NZ 3.05Å
405A70.3Confident85.1Confident89 Ų8954.8 Ų54.874%0.73630%0.296SS*.  trans-62.8138.2168.200000109.6
406S75.9Confident85Confident36 Ų3657.8 Ų57.825%0.25231%0.31SS..  trans-71.5136.3177.7-34.90000109.5V453 E454S406-V453 WeakPolarHBondContact OG-CB 3.3Å; S406-V453 WeakPolarHBondContact OG-CG1 3.5Å; S406-E454 VanDerWaalsContact CB-OE1 3.26Å; S406-E454 WeakPolarHBondContact CB-OE1 3.39Å; S406-E454 PolarHBondContact OG-OE1 3.12Å; S406-E454 PolarHBondContact OG-OE2 2.79Å
407D83.5Confident85Confident84 Ų8465.8 Ų65.845%0.44935%0.345SS..  trans-109.3111.6166.1-179.3-11.6000108.1T409 A410 L411D407-T409 PolarHBondContact O-N 3.23Å; D407-T409 WeakPolarHBondContact OD1-CB 3.41Å; D407-T409 PolarHBondContact OD1-N 3.27Å; D407-T409 PolarHBondContact OD1-OG1 3.36Å; D407-T409 PolarHBondContact OD2-OG1 2.69Å; D407-A410 HydrophobicContact CB-CB 3.83Å; D407-A410 PolarHBondContact O-N 2.73Å; D407-A410 PolarHBondContact OD1-N 3.09Å; D407-L411 WeakPolarHBondContact O-CB 3.22Å; D407-L411 PolarHBondContact O-N 3.03Å
408S84.3Confident85Confident28 Ų2868.4 Ų68.420%0.19636%0.356CS..Hα-helixtrans-65.5-28-177.954.30000112.4R412 P434S408-R412 WeakPolarHBondContact O-CB 3.32Å; S408-R412 PolarHBondContact O-N 3.16Å; S408-P434 VanDerWaalsContact OG-CG 3.27Å; S408-P434 WeakPolarHBondContact OG-CG 3.36Å
409T85.6Confident85Confident87 Ų8764.8 Ų64.853%0.53434%0.339SS..Hα-helixtrans-76.1-4117666.20000111.7D407 R412 G413 P434D407-T409 PolarHBondContact O-N 3.23Å; D407-T409 WeakPolarHBondContact OD1-CB 3.41Å; D407-T409 PolarHBondContact OD1-N 3.27Å; D407-T409 PolarHBondContact OD1-OG1 3.36Å; D407-T409 PolarHBondContact OD2-OG1 2.69Å; T409-R412 WeakPolarHBondContact O-CB 3.47Å; T409-R412 PolarHBondContact O-N 3.48Å; T409-G413 PolarHBondContact O-N 2.98Å; T409-P434 HydrophobicContact CG2-CG 4.43Å
410A86.3Confident84.7Confident50 Ų5066 Ų6641%0.41336%0.356SS..Hα-helixtrans-64.7-41.717400000111.6D407 G413 R414D407-A410 HydrophobicContact CB-CB 3.83Å; D407-A410 PolarHBondContact O-N 2.73Å; D407-A410 PolarHBondContact OD1-N 3.09Å; A410-G413 PolarHBondContact O-N 3.36Å; A410-R414 WeakPolarHBondContact O-CB 3.27Å; A410-R414 PolarHBondContact O-N 3.22Å
411L87.4Confident84.5Confident5 Ų569.6 Ų69.63%0.02639%0.394CS..Hα-helixtrans-62.5-41.9174.8172.462.2000111.5L396 E399 D407 R414 L415 L449 V453L396-L411 HydrophobicContact CD2-CD1 4.49Å; L396-L411 HydrophobicContact CD2-CD2 3.83Å; E399-L411 HydrophobicContact CG-CD1 3.91Å; D407-L411 WeakPolarHBondContact O-CB 3.22Å; D407-L411 PolarHBondContact O-N 3.03Å; L411-R414 PolarHBondContact O-N 2.62Å; L411-L415 HydrophobicContact CD1-CD1 3.96Å; L411-L415 HydrophobicContact CD1-CG 4.04Å; L411-L415 HydrophobicContact CG-CD1 3.95Å; L411-L415 HydrophobicContact CG-CG 4.48Å; L411-L415 WeakPolarHBondContact O-CG 3.33Å; L411-L415 PolarHBondContact O-N 2.86Å; L411-L449 HydrophobicContact CD2-CD2 3.87Å; L411-L449 HydrophobicContact CG-CD2 4.23Å; L411-V453 HydrophobicContact CD2-CG2 3.72Å
412R89.3Confident84.6Confident41 Ų4166 Ų6616%0.15539%0.385CS..Hα-helixtrans-56.7-51.8172.9-179.5-170168162.38.3111.1S408 T409 R414 L415 E416 W427 D428 P434 L449S408-R412 WeakPolarHBondContact O-CB 3.32Å; S408-R412 PolarHBondContact O-N 3.16Å; T409-R412 WeakPolarHBondContact O-CB 3.47Å; T409-R412 PolarHBondContact O-N 3.48Å; R412-R414 VanDerWaalsContact C-N 3.26Å; R412-R414 PolarHBondContact O-N 2.96Å; R412-L415 PolarHBondContact O-N 3.34Å; R412-E416 WeakPolarHBondContact O-CB 3.35Å; R412-E416 PolarHBondContact O-N 3.4Å; R412-W427 HydrophobicContact CG-CE3 4.28Å; R412-W427 HydrophobicContact CG-CZ3 4.11Å; R412-D428 PolarHBondContact NH2-O 3.31Å; R412-P434 HydrophobicContact CB-CB 4.32Å; R412-L449 HydrophobicContact CB-CD1 3.62Å; R412-L449 HydrophobicContact CG-CD1 4.25Å
413G87.9Confident84.7Confident37 Ų3770.5 Ų70.538%0.38141%0.41SS..Hα-helixtrans-61.3-36.1-179.600000112.6T409 A410 K417T409-G413 PolarHBondContact O-N 2.98Å; A410-G413 PolarHBondContact O-N 3.36Å; G413-K417 VanDerWaalsContact O-CB 3.3Å; G413-K417 WeakPolarHBondContact O-CB 3.43Å; G413-K417 PolarHBondContact O-N 2.8Å
414R89.6Confident85.6Confident74 Ų7465.3 Ų65.328%0.27938%0.382SS..Hα-helixtrans-66.6-46174.3-170.8175.1-179.1-163-8.4112.1L395 E398 E399 A410 L411 R412 E416 K417 E418L395-R414 HydrophobicContact CD2-CG 4.47Å; E398-R414 IonicContact OE2-CZ 2.95Å; E398-R414 IonicContact OE2-NH1 3.71Å; E398-R414 IonicContact OE2-NH2 3.89Å; E398-R414 PolarHBondContact OE2-NH2 2.72Å; E399-R414 IonicContact OE1-CZ 3.08Å; E399-R414 IonicContact OE1-NH1 3.78Å; E399-R414 PolarHBondContact OE1-NH1 3.46Å; A410-R414 WeakPolarHBondContact O-CB 3.27Å; A410-R414 PolarHBondContact O-N 3.22Å; L411-R414 PolarHBondContact O-N 2.62Å; R412-R414 VanDerWaalsContact C-N 3.26Å; R412-R414 PolarHBondContact O-N 2.96Å; R414-E416 VanDerWaalsContact C-N 3.35Å; R414-K417 PolarHBondContact O-N 2.54Å; R414-E418 HydrophobicContact CG-CG 4.45Å; R414-E418 WeakPolarHBondContact O-CB 2.98Å; R414-E418 VanDerWaalsContact O-CG 3.31Å; R414-E418 WeakPolarHBondContact O-CG 3.41Å; R414-E418 PolarHBondContact O-N 2.8Å
415L90.2Very high86.1Confident0 Ų059 Ų590%036%0.359CS..Hα-helixtrans-63.6-40.6176.3-67.7161000111.2L395 L411 R412 L419 W427 L449L395-L415 HydrophobicContact CB-CD2 4.02Å; L395-L415 HydrophobicContact CD1-CD2 3.6Å; L395-L415 HydrophobicContact CD1-CG 4.45Å; L395-L415 HydrophobicContact CG-CD2 4.46Å; L411-L415 HydrophobicContact CD1-CD1 3.96Å; L411-L415 HydrophobicContact CD1-CG 4.04Å; L411-L415 HydrophobicContact CG-CD1 3.95Å; L411-L415 HydrophobicContact CG-CG 4.48Å; L411-L415 WeakPolarHBondContact O-CG 3.33Å; L411-L415 PolarHBondContact O-N 2.86Å; R412-L415 PolarHBondContact O-N 3.34Å; L415-L419 HydrophobicContact CD2-CD1 3.87Å; L415-L419 WeakPolarHBondContact O-CA 3.43Å; L415-L419 VanDerWaalsContact O-CB 3.23Å; L415-L419 WeakPolarHBondContact O-CB 3.47Å; L415-L419 PolarHBondContact O-N 3.45Å; L415-W427 HydrophobicContact CB-CH2 3.53Å; L415-W427 HydrophobicContact CB-CZ2 4.46Å; L415-W427 HydrophobicContact CB-CZ3 4.23Å; L415-L449 HydrophobicContact CD1-CD1 4.22Å; L415-L449 HydrophobicContact CD1-CD2 3.76Å
416E90.6Very high87Confident67 Ų6757.5 Ų57.531%0.31334%0.342SS..Hα-helixtrans-65.3-41.3177.7-174.1170.8-170.400112R412 R414 G420 W427R412-E416 WeakPolarHBondContact O-CB 3.35Å; R412-E416 PolarHBondContact O-N 3.4Å; R414-E416 VanDerWaalsContact C-N 3.35Å; E416-G420 WeakPolarHBondContact O-CA 3.37Å; E416-G420 PolarHBondContact O-N 3.13Å; E416-W427 HydrophobicContact CB-CD2 4.09Å; E416-W427 HydrophobicContact CB-CE3 4.21Å; E416-W427 HydrophobicContact CB-CH2 4.04Å; E416-W427 HydrophobicContact CB-CZ2 3.9Å; E416-W427 HydrophobicContact CB-CZ3 4.17Å; E416-W427 HydrophobicContact CG-CD2 4.07Å; E416-W427 HydrophobicContact CG-CG 4.33Å; E416-W427 HydrophobicContact CG-CZ2 4.41Å
417K90.6Very high87.5Confident168 Ų16857.9 Ų57.973%0.7334%0.338SS*.Hα-helixtrans-64.7-46.4177-175.6-169.6173.6-153.30112.6G413 R414G413-K417 VanDerWaalsContact O-CB 3.3Å; G413-K417 WeakPolarHBondContact O-CB 3.43Å; G413-K417 PolarHBondContact O-N 2.8Å; R414-K417 PolarHBondContact O-N 2.54Å
418E89.1Confident87.4Confident77 Ų7756.9 Ų56.936%0.3633%0.333SS..Hα-helixtrans-86.6-28.8-172.2-59.4-63.3146.900112.9I390 L395 R414I390-E418 HydrophobicContact CG2-CB 3.91Å; L395-E418 HydrophobicContact CD1-CB 4.16Å; R414-E418 HydrophobicContact CG-CG 4.45Å; R414-E418 WeakPolarHBondContact O-CB 2.98Å; R414-E418 VanDerWaalsContact O-CG 3.31Å; R414-E418 WeakPolarHBondContact O-CG 3.41Å; R414-E418 PolarHBondContact O-N 2.8Å
419L90.1Very high86.9Confident4 Ų463.2 Ų63.22%0.02136%0.357CS..Hα-helixtrans-114.5-1.8-175.9-58.4173000114.2L384 I390 V392 L395 L415 G421 N422 I425L384-L419 HydrophobicContact CD1-CB 4.12Å; L384-L419 HydrophobicContact CD1-CD1 3.95Å; L384-L419 HydrophobicContact CD1-CD2 4.05Å; L384-L419 HydrophobicContact CD1-CG 4.28Å; I390-L419 HydrophobicContact CG2-CD2 3.82Å; I390-L419 HydrophobicContact CG2-CG 4.49Å; V392-L419 HydrophobicContact CG2-CD1 3.63Å; L395-L419 HydrophobicContact CD1-CD1 4.13Å; L395-L419 HydrophobicContact CD1-CG 4.27Å; L415-L419 HydrophobicContact CD2-CD1 3.87Å; L415-L419 WeakPolarHBondContact O-CA 3.43Å; L415-L419 VanDerWaalsContact O-CB 3.23Å; L415-L419 WeakPolarHBondContact O-CB 3.47Å; L415-L419 PolarHBondContact O-N 3.45Å; L419-G421 PolarHBondContact O-N 3.49Å; L419-G421 VanDerWaalsContact O-N 3.08Å; L419-N422 PolarHBondContact O-N 3.26Å; L419-I425 HydrophobicContact CB-CG2 4.47Å; L419-I425 HydrophobicContact CD1-CD1 4.49Å; L419-I425 VanDerWaalsContact O-CG2 3.32Å; L419-I425 WeakPolarHBondContact O-CG2 3.46Å
420G82.5Confident86.4Confident42 Ų4268.3 Ų68.343%0.43337%0.372SS..THydrogen-bonded Turntrans-62.8-15.6-175.400000115.6E416 N422E416-G420 WeakPolarHBondContact O-CA 3.37Å; E416-G420 PolarHBondContact O-N 3.13Å; G420-N422 VanDerWaalsContact C-N 3.34Å
421G82.6Confident86Confident78 Ų7868 Ų6880%0.80437%0.367SS*.THydrogen-bonded Turntrans-81.4-5.317400000115.1L419L419-G421 PolarHBondContact O-N 3.49Å; L419-G421 VanDerWaalsContact O-N 3.08Å
422N85.6Confident85.5Confident68 Ų6877.8 Ų77.836%0.36441%0.409SS..  trans-89.6130179.1-74.9-62.3000111.7L384 L419 G420 N424 I425L384-N422 HydrophobicContact CD1-CB 4.19Å; L419-N422 PolarHBondContact O-N 3.26Å; G420-N422 VanDerWaalsContact C-N 3.34Å; N422-N424 PolarHBondContact O-N 3.42Å; N422-N424 VanDerWaalsContact O-N 3.15Å; N422-I425 HydrophobicContact CB-CG2 4.27Å; N422-I425 PolarHBondContact O-N 2.98Å
423D86.6Confident85.1Confident162 Ų16278.3 Ų78.387%0.86642%0.417SS*.THydrogen-bonded Turntrans-64.8-20.5179.4-64.5-33.4000113.8
424N89.3Confident85.1Confident32 Ų3277.1 Ų77.117%0.17140%0.402CS..THydrogen-bonded Turntrans-87.2-4.2-174.7-66.1-5.5000114S380 C381 L384 N422 V438 A439S380-N424 WeakPolarHBondContact CB-ND2 3.39Å; S380-N424 PolarHBondContact O-ND2 2.98Å; S380-N424 PolarHBondContact OG-ND2 3.11Å; C381-N424 VanDerWaalsContact CA-ND2 3.29Å; C381-N424 WeakPolarHBondContact CA-ND2 3.41Å; C381-N424 PolarHBondContact N-ND2 3.22Å; L384-N424 HydrophobicContact CD2-CB 3.94Å; N422-N424 PolarHBondContact O-N 3.42Å; N422-N424 VanDerWaalsContact O-N 3.15Å; N424-V438 CarbonylContact O-C 3.55Å; N424-V438 WeakPolarHBondContact O-CA 3.48Å; N424-A439 PolarHBondContact O-N 3.04Å
425I91.6Very high85.1Confident11 Ų1174.4 Ų74.46%0.05639%0.393CS..EExtended strand (participates in β ladder)trans-115.8134.9175.3-163164.2000110.4L384 L419 N422 W427 F436 T437L384-I425 HydrophobicContact CD1-CB 4.22Å; L384-I425 HydrophobicContact CD1-CD1 4.36Å; L384-I425 HydrophobicContact CD1-CG2 4.37Å; L384-I425 HydrophobicContact CD2-CB 3.93Å; L419-I425 HydrophobicContact CB-CG2 4.47Å; L419-I425 HydrophobicContact CD1-CD1 4.49Å; L419-I425 VanDerWaalsContact O-CG2 3.32Å; L419-I425 WeakPolarHBondContact O-CG2 3.46Å; N422-I425 HydrophobicContact CB-CG2 4.27Å; N422-I425 PolarHBondContact O-N 2.98Å; I425-W427 HydrophobicContact CD1-CH2 3.74Å; I425-W427 HydrophobicContact CD1-CZ2 3.55Å; I425-W427 HydrophobicContact CG1-CH2 4.35Å; I425-W427 HydrophobicContact CG1-CZ2 3.87Å; I425-W427 HydrophobicContact CG2-CZ2 4.21Å; I425-F436 HydrophobicContact CD1-CB 4.32Å; I425-F436 HydrophobicContact CD1-CD2 4.02Å; I425-F436 HydrophobicContact CG1-CD2 4.47Å; I425-T437 CarbonylContact C-O 3.46Å; I425-T437 WeakPolarHBondContact CA-O 3.39Å
426C88.8Confident85.2Confident57 Ų5774.4 Ų74.439%0.38539%0.393SS..EExtended strand (participates in β ladder)trans-130.9154175.2100.20000112.3T437C426-T437 PolarHBondContact N-O 2.92Å; C426-T437 PolarHBondContact O-N 2.77Å; C426-T437 WeakPolarHBondContact SG-CB 3.29Å
427W85.9Confident85.4Confident43 Ų4371.8 Ų71.816%0.16338%0.381CS..  trans-123.9124.4-172.1-49.293.5000108.7R412 L415 E416 I425 F436R412-W427 HydrophobicContact CG-CE3 4.28Å; R412-W427 HydrophobicContact CG-CZ3 4.11Å; L415-W427 HydrophobicContact CB-CH2 3.53Å; L415-W427 HydrophobicContact CB-CZ2 4.46Å; L415-W427 HydrophobicContact CB-CZ3 4.23Å; E416-W427 HydrophobicContact CB-CD2 4.09Å; E416-W427 HydrophobicContact CB-CE3 4.21Å; E416-W427 HydrophobicContact CB-CH2 4.04Å; E416-W427 HydrophobicContact CB-CZ2 3.9Å; E416-W427 HydrophobicContact CB-CZ3 4.17Å; E416-W427 HydrophobicContact CG-CD2 4.07Å; E416-W427 HydrophobicContact CG-CG 4.33Å; E416-W427 HydrophobicContact CG-CZ2 4.41Å; I425-W427 HydrophobicContact CD1-CH2 3.74Å; I425-W427 HydrophobicContact CD1-CZ2 3.55Å; I425-W427 HydrophobicContact CG1-CH2 4.35Å; I425-W427 HydrophobicContact CG1-CZ2 3.87Å; I425-W427 HydrophobicContact CG2-CZ2 4.21Å; W427-F436 HydrophobicContact CE3-CB 4.19Å; W427-F436 HydrophobicContact CH2-CB 4.11Å; W427-F436 HydrophobicContact CZ3-CB 3.69Å
428D81.9Confident85.6Confident63 Ų6363.8 Ų63.834%0.33735%0.346SS..  trans-91114.7167.1165.231.2000109.5R412 F430 S431 H435R412-D428 PolarHBondContact NH2-O 3.31Å; D428-F430 VanDerWaalsContact C-N 3.27Å; D428-F430 WeakPolarHBondContact OD1-CB 3.14Å; D428-F430 PolarHBondContact OD1-N 3.23Å; D428-S431 WeakPolarHBondContact OD2-CB 3.44Å; D428-S431 PolarHBondContact OD2-N 3.47Å; D428-H435 WeakPolarHBondContact CB-NE2 3.46Å; D428-H435 IonicContact OD2-CE1 2.78Å
429K74.6Confident85.8Confident162 Ų16261.6 Ų61.670%0.70434%0.341SS*.SBendtrans-76.6-14.3-177.5-63.6-176.6179-178.30112.5
430F75.2Confident85.9Confident193 Ų19362 Ų6285%0.84634%0.343SS*.SBendtrans-98.2-17.8-174.8-58.9-76.1000113.8D428D428-F430 VanDerWaalsContact C-N 3.27Å; D428-F430 WeakPolarHBondContact OD1-CB 3.14Å; D428-F430 PolarHBondContact OD1-N 3.23Å
431S76.6Confident86.2Confident43 Ų4361.6 Ų61.630%0.30133%0.329SS..  trans-69.7132.9175.9-173.60000112.2D428 V433 H435D428-S431 WeakPolarHBondContact OD2-CB 3.44Å; D428-S431 PolarHBondContact OD2-N 3.47Å; S431-V433 VanDerWaalsContact C-N 3.26Å; S431-V433 PolarHBondContact O-N 3.37Å; S431-V433 PolarHBondContact OG-N 3.11Å; S431-V433 PolarHBondContact OG-O 3.22Å; S431-H435 WeakPolarHBondContact CB-CE1 3.25Å
432K76.6Confident86.3Confident211 Ų21159.2 Ų59.292%0.91730%0.302SS*.SBendtrans-70.3-23.3173.1-63.9-178.2-180-179.90112.5
433V82.5Confident86.5Confident53 Ų5357.5 Ų57.532%0.32130%0.3SS..SBendtrans-97.7128.7-178.1-176.70000109.2S431 H435S431-V433 VanDerWaalsContact C-N 3.26Å; S431-V433 PolarHBondContact O-N 3.37Å; S431-V433 PolarHBondContact OG-N 3.11Å; S431-V433 PolarHBondContact OG-O 3.22Å; V433-H435 PolarHBondContact O-N 3.22Å; V433-H435 PolarHBondContact O-ND1 3.36Å
434P86.4Confident86.7Confident12 Ų1257.1 Ų57.18%0.07829%0.291CS..  trans-66.4119.4179.425.7-31000110.4S408 T409 R412 L449S408-P434 VanDerWaalsContact OG-CG 3.27Å; S408-P434 WeakPolarHBondContact OG-CG 3.36Å; T409-P434 HydrophobicContact CG2-CG 4.43Å; R412-P434 HydrophobicContact CB-CB 4.32Å; P434-L449 HydrophobicContact CB-CB 4.45Å; P434-L449 HydrophobicContact CB-CD1 4.32Å; P434-L449 PolarHBondContact O-N 3.08Å
435H90.5Very high86.8Confident17 Ų1755.7 Ų55.78%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-148.6164.3-179.473.1-78.4000109.5D428 S431 V433 Y447D428-H435 WeakPolarHBondContact CB-NE2 3.46Å; D428-H435 IonicContact OD2-CE1 2.78Å; S431-H435 WeakPolarHBondContact CB-CE1 3.25Å; V433-H435 PolarHBondContact O-N 3.22Å; V433-H435 PolarHBondContact O-ND1 3.36Å; H435-Y447 WeakPolarHBondContact CA-O 3.42Å; H435-Y447 WeakPolarHBondContact CB-O 3.4Å
436F92.5Very high86.9Confident0 Ų057.8 Ų57.80%030%0.299CS..EExtended strand (participates in β ladder)trans-134.8151.4171.467.1-80.4000109.1L338 V392 I425 W427 V438 S446 Y447 L449 M452L338-F436 HydrophobicContact CD1-CZ 4.45Å; L338-F436 HydrophobicContact CD2-CZ 4.16Å; V392-F436 HydrophobicContact CG1-CE2 4.26Å; V392-F436 HydrophobicContact CG1-CZ 4.05Å; I425-F436 HydrophobicContact CD1-CB 4.32Å; I425-F436 HydrophobicContact CD1-CD2 4.02Å; I425-F436 HydrophobicContact CG1-CD2 4.47Å; W427-F436 HydrophobicContact CE3-CB 4.19Å; W427-F436 HydrophobicContact CH2-CB 4.11Å; W427-F436 HydrophobicContact CZ3-CB 3.69Å; F436-V438 HydrophobicContact CD2-CG2 3.72Å; F436-V438 HydrophobicContact CE2-CG2 3.55Å; F436-S446 WeakPolarHBondContact O-CA 3.48Å; F436-Y447 HydrophobicContact CD2-CD2 4.32Å; F436-Y447 AromaticContact CE2-CD2 3.74Å; F436-Y447 HydrophobicContact CE2-CD2 3.74Å; F436-Y447 HydrophobicContact CE2-CG 4.35Å; F436-Y447 AromaticContact CZ-CD2 3.95Å; F436-Y447 HydrophobicContact CZ-CD2 3.95Å; F436-Y447 HydrophobicContact CZ-CG 4.09Å; F436-Y447 PolarHBondContact N-O 2.97Å; F436-Y447 PolarHBondContact O-N 3.24Å; F436-L449 HydrophobicContact CD1-CD1 4.37Å; F436-L449 HydrophobicContact CD1-CD2 3.59Å; F436-L449 HydrophobicContact CD1-CG 3.89Å; F436-L449 HydrophobicContact CE1-CD2 3.57Å; F436-L449 HydrophobicContact CE1-CG 4.25Å; F436-M452 HydrophobicContact CE1-CE 4.29Å; F436-M452 HydrophobicContact CE1-SD 4.09Å; F436-M452 HydrophobicContact CZ-CE 4.3Å
437T93.5Very high87.1Confident11 Ų1155 Ų557%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-116.1130.2-179.9-59.20000109.8I425 C426 K444 V445 S446I425-T437 CarbonylContact C-O 3.46Å; I425-T437 WeakPolarHBondContact CA-O 3.39Å; C426-T437 PolarHBondContact N-O 2.92Å; C426-T437 PolarHBondContact O-N 2.77Å; C426-T437 WeakPolarHBondContact SG-CB 3.29Å; T437-K444 HydrophobicContact CG2-CB 3.98Å; T437-V445 CarbonylContact C-O 3.55Å; T437-V445 VanDerWaalsContact CA-O 3.29Å; T437-V445 WeakPolarHBondContact CA-O 3.48Å; T437-S446 PolarHBondContact OG1-OG 3.35Å
438V94.7Very high87.4Confident0 Ų055.6 Ų55.60%029%0.285CS..EExtended strand (participates in β ladder)trans-108.1133.1176.3-178.10000109.2L384 N424 F436 H440 K444 V445 Y447L384-V438 HydrophobicContact CD2-CG1 4.13Å; N424-V438 CarbonylContact O-C 3.55Å; N424-V438 WeakPolarHBondContact O-CA 3.48Å; F436-V438 HydrophobicContact CD2-CG2 3.72Å; F436-V438 HydrophobicContact CE2-CG2 3.55Å; V438-H440 PolarHBondContact O-N 3.05Å; V438-K444 WeakPolarHBondContact O-CA 3.33Å; V438-V445 PolarHBondContact N-O 3.46Å; V438-V445 PolarHBondContact O-N 3.43Å; V438-Y447 HydrophobicContact CB-CE2 4.05Å; V438-Y447 HydrophobicContact CG2-CD2 4.14Å; V438-Y447 HydrophobicContact CG2-CE2 3.94Å
439A93.3Very high87.7Confident31 Ų3152.8 Ų52.826%0.25627%0.27SS..EExtended strand (participates in β ladder)trans-83.495.5169.300000109.2C381 N424 K444C381-A439 PolarHBondContact SG-O 3.43Å; C381-A439 VanDerWaalsContact SG-O 3.32Å; N424-A439 PolarHBondContact O-N 3.04Å; A439-K444 HydrophobicContact CB-CG 4.34Å
440H92.5Very high88.4Confident12 Ų1251 Ų516%0.05626%0.264CS..EExtended strand (participates in β ladder)trans-82.8166.1173.7-67.8-81.4000111.2F327 E345 V438 A442 G443 Y447F327-H440 HydrophobicContact CE2-CB 3.61Å; F327-H440 AromaticContact CE2-CG 3.83Å; F327-H440 HydrophobicContact CZ-CB 3.75Å; E345-H440 WeakPolarHBondContact OE2-CA 3.34Å; E345-H440 VanDerWaalsContact OE2-CB 3.27Å; E345-H440 WeakPolarHBondContact OE2-CB 3.32Å; E345-H440 IonicContact OE2-CG 2.85Å; E345-H440 IonicContact OE2-ND1 3.16Å; E345-H440 PolarHBondContact OE2-ND1 3.32Å; V438-H440 PolarHBondContact O-N 3.05Å; H440-A442 PolarHBondContact O-N 3.46Å; H440-A442 VanDerWaalsContact O-N 3.15Å; H440-G443 WeakPolarHBondContact CB-O 3.33Å; H440-G443 PolarHBondContact N-O 3.38Å; H440-G443 PolarHBondContact O-N 2.89Å; H440-Y447 AromaticContact NE2-CE2 3.58Å; H440-Y447 AromaticContact NE2-CZ 3.59Å; H440-Y447 PolarHBondContact NE2-OH 3.11Å
441Y88.4Confident88.7Confident34 Ų3443.2 Ų43.213%0.13324%0.238CC..THydrogen-bonded Turntrans-55.4-32174.680.2-89.9000113.4F327 N344 E345 Q348 A546F327-Y441 HydrophobicContact CD2-CE1 4.25Å; N344-Y441 HydrophobicContact CB-CE1 4.1Å; E345-Y441 PolarHBondContact OE1-N 3.38Å; E345-Y441 PolarHBondContact OE2-N 2.99Å; Q348-Y441 HydrophobicContact CB-CD1 4.04Å; Q348-Y441 HydrophobicContact CB-CE1 4.05Å; Q348-Y441 HydrophobicContact CB-CG 4.3Å; Q348-Y441 HydrophobicContact CG-CD1 4.16Å; Q348-Y441 HydrophobicContact CG-CD2 3.99Å; Q348-Y441 HydrophobicContact CG-CE1 4.47Å; Q348-Y441 HydrophobicContact CG-CE2 4.3Å; Q348-Y441 HydrophobicContact CG-CG 3.89Å; Y441-A546 HydrophobicContact CD2-CB 4.28Å; Y441-A546 WeakPolarHBondContact CD2-O 3.03Å; Y441-A546 HydrophobicContact CE2-CB 4.49Å
442A86.1Confident89.3Confident29 Ų2941.3 Ų41.324%0.2422%0.224CC..THydrogen-bonded Turntrans-91.4-3.3179.900000114F327 H440 A546F327-A442 HydrophobicContact CD1-CB 3.68Å; F327-A442 HydrophobicContact CD2-CB 3.9Å; F327-A442 HydrophobicContact CE1-CB 3.69Å; F327-A442 HydrophobicContact CE2-CB 3.91Å; F327-A442 HydrophobicContact CG-CB 3.78Å; F327-A442 HydrophobicContact CZ-CB 3.8Å; H440-A442 PolarHBondContact O-N 3.46Å; H440-A442 VanDerWaalsContact O-N 3.15Å; A442-A546 HydrophobicContact CB-CB 4.25Å
443G88.2Confident89.8Confident32 Ų3231.4 Ų31.433%0.3318%0.182SC..EExtended strand (participates in β ladder)trans134.2-178.9178.200000114.3H440H440-G443 WeakPolarHBondContact CB-O 3.33Å; H440-G443 PolarHBondContact N-O 3.38Å; H440-G443 PolarHBondContact O-N 2.89Å
444K91.3Very high89.9Confident154 Ų15432.7 Ų32.767%0.6718%0.184SC*.EExtended strand (participates in β ladder)trans-80.9131.5-178.4-63.8-177.6-178.8-177.40111.1T437 V438 A439T437-K444 HydrophobicContact CG2-CB 3.98Å; V438-K444 WeakPolarHBondContact O-CA 3.33Å; A439-K444 HydrophobicContact CB-CG 4.34Å
445V92.3Very high89.8Confident1 Ų135.1 Ų35.11%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-129.6128.7178-174.40000110.1F327 C329 N333 T437 V438 Y447F327-V445 HydrophobicContact CE1-CG2 3.93Å; F327-V445 HydrophobicContact CZ-CG2 3.55Å; C329-V445 HydrophobicContact CB-CG2 4.12Å; N333-V445 HydrophobicContact CB-CG1 4.23Å; T437-V445 CarbonylContact C-O 3.55Å; T437-V445 VanDerWaalsContact CA-O 3.29Å; T437-V445 WeakPolarHBondContact CA-O 3.48Å; V438-V445 PolarHBondContact N-O 3.46Å; V438-V445 PolarHBondContact O-N 3.43Å; V445-Y447 HydrophobicContact CB-CE2 4.02Å; V445-Y447 HydrophobicContact CG1-CD1 4.45Å; V445-Y447 HydrophobicContact CG1-CE1 3.8Å; V445-Y447 HydrophobicContact CG1-CE2 4Å
446S93.1Very high89.7Confident55 Ų5534.3 Ų34.339%0.38519%0.19SC..EExtended strand (participates in β ladder)trans-98.2125.2179.2-55.20000111.1N333 F436 T437N333-S446 WeakPolarHBondContact CB-O 3.34Å; N333-S446 PolarHBondContact ND2-O 2.95Å; F436-S446 WeakPolarHBondContact O-CA 3.48Å; T437-S446 PolarHBondContact OG1-OG 3.35Å
447Y93.5Very high89.3Confident0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-111.7130.8-177.4-58.8-79.2000111.6N333 Q337 L338 N341 H435 F436 V438 H440 V445N333-Y447 HydrophobicContact CB-CD1 3.62Å; N333-Y447 HydrophobicContact CB-CE1 3.95Å; N333-Y447 HydrophobicContact CB-CG 4.48Å; N333-Y447 WeakPolarHBondContact O-CA 3.49Å; Q337-Y447 HydrophobicContact CB-CE1 4.14Å; L338-Y447 VanDerWaalsContact CA-CE1 3.5Å; L338-Y447 HydrophobicContact CB-CD1 3.91Å; L338-Y447 HydrophobicContact CB-CE1 3.77Å; L338-Y447 HydrophobicContact CD1-CD1 4.36Å; L338-Y447 HydrophobicContact CD1-CD2 4.02Å; L338-Y447 HydrophobicContact CD1-CE1 4.06Å; L338-Y447 HydrophobicContact CD1-CE2 3.68Å; L338-Y447 HydrophobicContact CD1-CG 4.34Å; N341-Y447 WeakPolarHBondContact CB-OH 3.49Å; N341-Y447 PolarHBondContact ND2-OH 2.88Å; H435-Y447 WeakPolarHBondContact CA-O 3.42Å; H435-Y447 WeakPolarHBondContact CB-O 3.4Å; F436-Y447 HydrophobicContact CD2-CD2 4.32Å; F436-Y447 AromaticContact CE2-CD2 3.74Å; F436-Y447 HydrophobicContact CE2-CD2 3.74Å; F436-Y447 HydrophobicContact CE2-CG 4.35Å; F436-Y447 AromaticContact CZ-CD2 3.95Å; F436-Y447 HydrophobicContact CZ-CD2 3.95Å; F436-Y447 HydrophobicContact CZ-CG 4.09Å; F436-Y447 PolarHBondContact N-O 2.97Å; F436-Y447 PolarHBondContact O-N 3.24Å; V438-Y447 HydrophobicContact CB-CE2 4.05Å; V438-Y447 HydrophobicContact CG2-CD2 4.14Å; V438-Y447 HydrophobicContact CG2-CE2 3.94Å; H440-Y447 AromaticContact NE2-CE2 3.58Å; H440-Y447 AromaticContact NE2-CZ 3.59Å; H440-Y447 PolarHBondContact NE2-OH 3.11Å; V445-Y447 HydrophobicContact CB-CE2 4.02Å; V445-Y447 HydrophobicContact CG1-CD1 4.45Å; V445-Y447 HydrophobicContact CG1-CE1 3.8Å; V445-Y447 HydrophobicContact CG1-CE2 4Å
448Q91.7Very high88.5Confident55 Ų5540.1 Ų40.126%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-79136.5175.3-67.7-175.8-10.600110.8I332 N333I332-Q448 HydrophobicContact CG2-CG 4.48Å; I332-Q448 VanDerWaalsContact CG2-OE1 3.32Å; N333-Q448 PolarHBondContact O-N 3.38Å
449L89.1Confident87.6Confident3 Ų344.4 Ų44.42%0.01625%0.246CC..  trans-87.1-19.1-179.8-71.9169.3000113.2L411 R412 L415 P434 F436 G451 M452L411-L449 HydrophobicContact CD2-CD2 3.87Å; L411-L449 HydrophobicContact CG-CD2 4.23Å; R412-L449 HydrophobicContact CB-CD1 3.62Å; R412-L449 HydrophobicContact CG-CD1 4.25Å; L415-L449 HydrophobicContact CD1-CD1 4.22Å; L415-L449 HydrophobicContact CD1-CD2 3.76Å; P434-L449 HydrophobicContact CB-CB 4.45Å; P434-L449 HydrophobicContact CB-CD1 4.32Å; P434-L449 PolarHBondContact O-N 3.08Å; F436-L449 HydrophobicContact CD1-CD1 4.37Å; F436-L449 HydrophobicContact CD1-CD2 3.59Å; F436-L449 HydrophobicContact CD1-CG 3.89Å; F436-L449 HydrophobicContact CE1-CD2 3.57Å; F436-L449 HydrophobicContact CE1-CG 4.25Å; L449-G451 PolarHBondContact O-N 3.13Å; L449-M452 HydrophobicContact CD2-SD 4.12Å; L449-M452 WeakPolarHBondContact O-CB 3.38Å; L449-M452 PolarHBondContact O-N 3.13Å
450E87.6Confident87Confident125 Ų12545.2 Ų45.258%0.58425%0.247SC*.THydrogen-bonded Turntrans-62.5125.9180-169.6171.7-179.100111.2M452E450-M452 PolarHBondContact O-N 3.49Å; E450-M452 VanDerWaalsContact O-N 3.14Å
451G82.6Confident86.6Confident30 Ų3045.6 Ų45.631%0.30925%0.251SS..THydrogen-bonded Turntrans70.40.4-178.300000115.6L449 V453 E454 K455L449-G451 PolarHBondContact O-N 3.13Å; G451-V453 PolarHBondContact O-N 3.21Å; G451-E454 WeakPolarHBondContact CA-OE2 3.47Å; G451-E454 PolarHBondContact O-N 2.89Å; G451-K455 WeakPolarHBondContact O-CB 3.27Å; G451-K455 VanDerWaalsContact O-CG 3.28Å; G451-K455 WeakPolarHBondContact O-CG 3.47Å; G451-K455 PolarHBondContact O-N 3.04Å
452M88.6Confident86.4Confident2 Ų248.2 Ų48.21%0.0127%0.272CS..Hα-helixtrans-67-38.2-176.4-161.2177.1-137.100112.2L335 L338 L396 F436 L449 E450 N456L335-M452 HydrophobicContact CB-CE 4.3Å; L335-M452 HydrophobicContact CB-CG 3.96Å; L335-M452 HydrophobicContact CD1-CE 4.18Å; L335-M452 HydrophobicContact CD1-CG 4.07Å; L338-M452 HydrophobicContact CB-CE 4.01Å; L338-M452 HydrophobicContact CD2-CE 3.5Å; L338-M452 HydrophobicContact CG-CE 4.38Å; L396-M452 HydrophobicContact CD1-SD 3.99Å; L396-M452 HydrophobicContact CD2-CG 4.32Å; L396-M452 HydrophobicContact CD2-SD 4.12Å; F436-M452 HydrophobicContact CE1-CE 4.29Å; F436-M452 HydrophobicContact CE1-SD 4.09Å; F436-M452 HydrophobicContact CZ-CE 4.3Å; L449-M452 HydrophobicContact CD2-SD 4.12Å; L449-M452 WeakPolarHBondContact O-CB 3.38Å; L449-M452 PolarHBondContact O-N 3.13Å; E450-M452 PolarHBondContact O-N 3.49Å; E450-M452 VanDerWaalsContact O-N 3.14Å; M452-N456 WeakPolarHBondContact O-CB 3.43Å; M452-N456 PolarHBondContact O-N 3.21Å
453V87.9Confident86.4Confident3 Ų348.2 Ų48.22%0.01827%0.267CS..Hα-helixtrans-70.9-41.2178.8175.20000110.9L396 E399 S406 L411 G451 N456 K457L396-V453 HydrophobicContact CD2-CG2 4.21Å; E399-V453 HydrophobicContact CB-CG1 4.47Å; E399-V453 HydrophobicContact CB-CG2 4.28Å; S406-V453 WeakPolarHBondContact OG-CB 3.3Å; S406-V453 WeakPolarHBondContact OG-CG1 3.5Å; L411-V453 HydrophobicContact CD2-CG2 3.72Å; G451-V453 PolarHBondContact O-N 3.21Å; V453-N456 PolarHBondContact O-N 2.87Å; V453-N456 VanDerWaalsContact O-N 3.16Å; V453-K457 HydrophobicContact CG1-CD 4.36Å; V453-K457 WeakPolarHBondContact O-CG 3.39Å; V453-K457 PolarHBondContact O-N 2.8Å
454E83.1Confident86.4Confident80 Ų8046.9 Ų46.937%0.37425%0.252SS..Hα-helixtrans-62.8-45.3176.9-71.370.4-163.300110.9S406 G451 N456 K457 D458S406-E454 VanDerWaalsContact CB-OE1 3.26Å; S406-E454 WeakPolarHBondContact CB-OE1 3.39Å; S406-E454 PolarHBondContact OG-OE1 3.12Å; S406-E454 PolarHBondContact OG-OE2 2.79Å; G451-E454 WeakPolarHBondContact CA-OE2 3.47Å; G451-E454 PolarHBondContact O-N 2.89Å; E454-N456 VanDerWaalsContact C-N 3.27Å; E454-N456 PolarHBondContact O-N 3.38Å; E454-K457 PolarHBondContact O-N 2.97Å; E454-D458 PolarHBondContact O-N 2.91Å; E454-D458 VanDerWaalsContact O-N 3.09Å
455K84.6Confident86.3Confident63 Ų6342.4 Ų42.427%0.27424%0.235SC..Hα-helixtrans-60.8-36.5172.6-74.1179.3172.5-1620112.2L335 E336 G451 D458 V498L335-K455 HydrophobicContact CB-CB 4.32Å; L335-K455 HydrophobicContact CB-CD 4.27Å; L335-K455 HydrophobicContact CD2-CB 3.71Å; E336-K455 IonicContact OE1-NZ 2.77Å; E336-K455 PolarHBondContact OE1-NZ 3.46Å; E336-K455 IonicContact OE2-NZ 3.55Å; E336-K455 PolarHBondContact OE2-NZ 2.91Å; G451-K455 WeakPolarHBondContact O-CB 3.27Å; G451-K455 VanDerWaalsContact O-CG 3.28Å; G451-K455 WeakPolarHBondContact O-CG 3.47Å; G451-K455 PolarHBondContact O-N 3.04Å; K455-D458 PolarHBondContact O-N 2.89Å; K455-V498 WeakPolarHBondContact O-CG2 3.14Å
456N88.4Confident86.1Confident0 Ų043.6 Ų43.60%025%0.247CC..Hα-helixtrans-74-32.3178.2-170.240.8000113.1L335 N397 S400 M452 V453 E454 D458 T497 V498 I499L335-N456 HydrophobicContact CD2-CB 3.88Å; N397-N456 PolarHBondContact OD1-ND2 3.05Å; S400-N456 PolarHBondContact OG-ND2 3.35Å; M452-N456 WeakPolarHBondContact O-CB 3.43Å; M452-N456 PolarHBondContact O-N 3.21Å; V453-N456 PolarHBondContact O-N 2.87Å; V453-N456 VanDerWaalsContact O-N 3.16Å; E454-N456 VanDerWaalsContact C-N 3.27Å; E454-N456 PolarHBondContact O-N 3.38Å; N456-D458 VanDerWaalsContact C-N 3.34Å; N456-T497 WeakPolarHBondContact O-CA 3.4Å; N456-T497 WeakPolarHBondContact O-CB 3.08Å; N456-T497 WeakPolarHBondContact OD1-CB 3.27Å; N456-V498 PolarHBondContact O-N 2.6Å; N456-V498 PolarHBondContact OD1-N 3.36Å; N456-I499 HydrophobicContact CB-CD1 4.36Å; N456-I499 WeakPolarHBondContact OD1-CB 3.35Å; N456-I499 WeakPolarHBondContact OD1-CD1 3.45Å; N456-I499 WeakPolarHBondContact OD1-CG1 3.48Å; N456-I499 PolarHBondContact OD1-N 2.9Å
457K84.3Confident85.9Confident58 Ų5841.1 Ų41.125%0.25223%0.23SC..Hα-helixtrans-66-36.9172.9-75.1172.5179.4172.90111.6S400 L402 R404 V453 E454 P459S400-K457 WeakPolarHBondContact O-CE 3.38Å; L402-K457 PolarHBondContact O-NZ 2.86Å; R404-K457 PolarHBondContact O-NZ 3.05Å; V453-K457 HydrophobicContact CG1-CD 4.36Å; V453-K457 WeakPolarHBondContact O-CG 3.39Å; V453-K457 PolarHBondContact O-N 2.8Å; E454-K457 PolarHBondContact O-N 2.97Å; K457-P459 VanDerWaalsContact C-N 3.32Å
458D77.8Confident85.8Confident75 Ų7541.1 Ų41.140%0.40123%0.23SC..  trans38.756-173.3-167.132.5000112.7E454 K455 N456 V460 V498E454-D458 PolarHBondContact O-N 2.91Å; E454-D458 VanDerWaalsContact O-N 3.09Å; K455-D458 PolarHBondContact O-N 2.89Å; N456-D458 VanDerWaalsContact C-N 3.34Å; D458-V460 PolarHBondContact O-N 2.95Å; D458-V498 HydrophobicContact CB-CG2 3.51Å
459P75.4Confident85.7Confident91 Ų9141.1 Ų41.159%0.59123%0.23SC*.  trans-72.3108.3-170.830-33000109.8K457 P461K457-P459 VanDerWaalsContact C-N 3.32Å; P459-P461 WeakPolarHBondContact O-CD 3.12Å
460V81.4Confident85.7Confident47 Ų4746.8 Ų46.829%0.28525%0.254SS..  trans-86.3116.2169.8-176.10000109V291 D458 I465V291-V460 HydrophobicContact CG1-CG1 4.44Å; V291-V460 HydrophobicContact CG2-CB 4.28Å; V291-V460 HydrophobicContact CG2-CG1 3.78Å; V291-V460 HydrophobicContact CG2-CG2 3.48Å; V291-V460 VanDerWaalsContact CG2-CG2 3.48Å; D458-V460 PolarHBondContact O-N 2.95Å; V460-I465 HydrophobicContact CB-CD1 4.48Å; V460-I465 HydrophobicContact CG1-CD1 3.82Å; V460-I465 HydrophobicContact CG1-CG1 3.76Å
461P83.4Confident86Confident20 Ų2041.1 Ų41.113%0.1323%0.228CC..  trans-61.9131.1175.5-17.628.1000111.1R284 P459 E463 L464R284-P461 VanDerWaalsContact NH1-CB 3.32Å; P459-P461 WeakPolarHBondContact O-CD 3.12Å; P461-E463 WeakPolarHBondContact CB-OE2 3.29Å; P461-E463 PolarHBondContact O-N 3.11Å; P461-L464 HydrophobicContact CB-CD1 4.32Å; P461-L464 HydrophobicContact CB-CG 4.11Å; P461-L464 HydrophobicContact CG-CD1 3.86Å; P461-L464 HydrophobicContact CG-CG 4.2Å; P461-L464 WeakPolarHBondContact O-CB 3.16Å; P461-L464 PolarHBondContact O-N 3.08Å; P461-L464 VanDerWaalsContact O-N 3.08Å
462P83.2Confident86.4Confident90 Ų9046.3 Ų46.358%0.58425%0.249SC*.Hα-helixtrans-65.2-23.7-17727.5-34.9000112.4L464 I465 G466P462-L464 VanDerWaalsContact C-N 3.28Å; P462-L464 PolarHBondContact O-N 3.38Å; P462-I465 PolarHBondContact O-N 3.24Å; P462-G466 PolarHBondContact O-N 3.33Å
463E86.8Confident86.5Confident29 Ų2946.9 Ų46.914%0.13625%0.252CS..Hα-helixtrans-67.1-31.8176.4-46.994.1172.300112.1T264 R284 P461 L467T264-E463 WeakPolarHBondContact CA-OE1 2.97Å; T264-E463 WeakPolarHBondContact CB-OE1 3.49Å; T264-E463 PolarHBondContact N-OE1 3.43Å; T264-E463 PolarHBondContact OG1-OE1 3.45Å; T264-E463 VanDerWaalsContact OG1-OE1 3.12Å; R284-E463 IonicContact CZ-OE2 3.06Å; R284-E463 IonicContact NH1-OE2 2.91Å; R284-E463 IonicContact NH2-OE2 2.65Å; R284-E463 PolarHBondContact NH2-OE2 3.38Å; P461-E463 WeakPolarHBondContact CB-OE2 3.29Å; P461-E463 PolarHBondContact O-N 3.11Å; E463-L467 WeakPolarHBondContact O-CB 3.39Å; E463-L467 PolarHBondContact O-N 3.23Å
464L88.5Confident86.6Confident3 Ų352.6 Ų52.62%0.01628%0.282CS..Hα-helixtrans-70.4-38.9176.7-61.9-175000111.1C259 L260 C287 L288 P461 P462 L467 L468C259-L464 HydrophobicContact CB-CD2 4.11Å; L260-L464 HydrophobicContact CD2-CD2 4.46Å; C287-L464 HydrophobicContact CB-CD1 4.5Å; L288-L464 HydrophobicContact CB-CD1 4.09Å; L288-L464 HydrophobicContact CD1-CB 4.23Å; L288-L464 HydrophobicContact CD1-CD2 4.44Å; P461-L464 HydrophobicContact CB-CD1 4.32Å; P461-L464 HydrophobicContact CB-CG 4.11Å; P461-L464 HydrophobicContact CG-CD1 3.86Å; P461-L464 HydrophobicContact CG-CG 4.2Å; P461-L464 WeakPolarHBondContact O-CB 3.16Å; P461-L464 PolarHBondContact O-N 3.08Å; P461-L464 VanDerWaalsContact O-N 3.08Å; P462-L464 VanDerWaalsContact C-N 3.28Å; P462-L464 PolarHBondContact O-N 3.38Å; L464-L467 PolarHBondContact O-N 3.32Å; L464-L468 WeakPolarHBondContact O-CG 3.3Å; L464-L468 PolarHBondContact O-N 2.86Å; L464-L468 VanDerWaalsContact O-N 3.14Å
465I87.9Confident87Confident61 Ų6148.9 Ų48.931%0.31327%0.265SS..Hα-helixtrans-64.5-48.9175-60.2173.4000109.6V460 P462 L467 L468 Q469V460-I465 HydrophobicContact CB-CD1 4.48Å; V460-I465 HydrophobicContact CG1-CD1 3.82Å; V460-I465 HydrophobicContact CG1-CG1 3.76Å; P462-I465 PolarHBondContact O-N 3.24Å; I465-L467 PolarHBondContact O-N 3.42Å; I465-L468 PolarHBondContact O-N 3.42Å; I465-L468 VanDerWaalsContact O-N 3.1Å; I465-Q469 HydrophobicContact CG2-CG 4.33Å; I465-Q469 WeakPolarHBondContact O-CG 3.34Å; I465-Q469 PolarHBondContact O-N 2.94Å
466G88.3Confident87.3Confident25 Ų2545.9 Ų45.926%0.25825%0.252SS..Hα-helixtrans-62-29.1178.700000113.7P462 K470P462-G466 PolarHBondContact O-N 3.33Å; G466-K470 WeakPolarHBondContact O-CG 3.42Å
467L90.6Very high87.4Confident3 Ų350.1 Ų50.12%0.01627%0.271CS..Hα-helixtrans-67.9-47.9171.8-179.570.3000111.4V251 E255 L256 C259 E463 L464 I465 Q469 K470V251-L467 HydrophobicContact CB-CD1 4.13Å; V251-L467 HydrophobicContact CB-CG 4.24Å; V251-L467 HydrophobicContact CG1-CD1 4.4Å; V251-L467 HydrophobicContact CG1-CG 4.14Å; V251-L467 HydrophobicContact CG2-CD2 4.44Å; E255-L467 HydrophobicContact CB-CD1 3.69Å; L256-L467 HydrophobicContact CB-CD2 4.11Å; L256-L467 HydrophobicContact CD1-CD2 3.59Å; L256-L467 HydrophobicContact CG-CD2 4.47Å; C259-L467 HydrophobicContact CB-CD2 4.29Å; E463-L467 WeakPolarHBondContact O-CB 3.39Å; E463-L467 PolarHBondContact O-N 3.23Å; L464-L467 PolarHBondContact O-N 3.32Å; I465-L467 PolarHBondContact O-N 3.42Å; L467-Q469 VanDerWaalsContact C-N 3.31Å; L467-Q469 PolarHBondContact O-N 3.27Å; L467-K470 PolarHBondContact O-N 3.23Å; L467-K470 VanDerWaalsContact O-N 3.15Å
468L91Very high87.6Confident1 Ų150.5 Ų50.51%0.00527%0.274CS..Hα-helixtrans-67.4-31-178.8-67170.3000112.7L288 V292 L464 I465 K470 S471 F480L288-L468 HydrophobicContact CD1-CD1 3.82Å; L288-L468 HydrophobicContact CD1-CD2 4.19Å; L288-L468 HydrophobicContact CD1-CG 4.12Å; V292-L468 HydrophobicContact CG2-CD1 3.68Å; V292-L468 HydrophobicContact CG2-CD2 3.86Å; V292-L468 HydrophobicContact CG2-CG 4.45Å; L464-L468 WeakPolarHBondContact O-CG 3.3Å; L464-L468 PolarHBondContact O-N 2.86Å; L464-L468 VanDerWaalsContact O-N 3.14Å; I465-L468 PolarHBondContact O-N 3.42Å; I465-L468 VanDerWaalsContact O-N 3.1Å; L468-K470 PolarHBondContact O-N 3.08Å; L468-S471 WeakPolarHBondContact O-CB 3.49Å; L468-S471 PolarHBondContact O-N 3.33Å; L468-S471 VanDerWaalsContact O-N 3.14Å; L468-F480 HydrophobicContact CB-CD1 4.32Å; L468-F480 HydrophobicContact CB-CD2 3.91Å; L468-F480 HydrophobicContact CB-CE2 4.18Å; L468-F480 HydrophobicContact CB-CG 4.02Å; L468-F480 HydrophobicContact CB-CZ 4.5Å; L468-F480 HydrophobicContact CD1-CD1 4.34Å; L468-F480 HydrophobicContact CD1-CD2 4.32Å; L468-F480 HydrophobicContact CD1-CE1 3.75Å; L468-F480 HydrophobicContact CD1-CE2 3.77Å; L468-F480 HydrophobicContact CD1-CZ 3.46Å; L468-F480 VanDerWaalsContact CD1-CZ 3.46Å; L468-F480 HydrophobicContact CG-CE2 4.46Å
469Q89.4Confident88.2Confident55 Ų5547.4 Ų47.426%0.25726%0.257SS..Hα-helixtrans-65.6-23.2173.5-73.7178.5-40.100113.5I465 L467 S471 H477 F480I465-Q469 HydrophobicContact CG2-CG 4.33Å; I465-Q469 WeakPolarHBondContact O-CG 3.34Å; I465-Q469 PolarHBondContact O-N 2.94Å; L467-Q469 VanDerWaalsContact C-N 3.31Å; L467-Q469 PolarHBondContact O-N 3.27Å; Q469-S471 VanDerWaalsContact C-N 3.32Å; Q469-H477 PolarHBondContact O-CD2 2.9Å; Q469-H477 VanDerWaalsContact O-CD2 3.27Å; Q469-F480 HydrophobicContact CG-CB 4Å; Q469-F480 PolarHBondContact NE2-O 2.89Å
470K89.4Confident88.8Confident122 Ų12243.8 Ų43.853%0.5323%0.232SC..THydrogen-bonded Turntrans-92.810.3174.9-62.5176.8-176-178.90113E255 G466 L467 L468E255-K470 IonicContact OE1-NZ 3.93Å; E255-K470 PolarHBondContact OE1-NZ 3.46Å; E255-K470 IonicContact OE2-NZ 2.72Å; E255-K470 PolarHBondContact OE2-NZ 2.98Å; E255-K470 VanDerWaalsContact OE2-NZ 3.16Å; G466-K470 WeakPolarHBondContact O-CG 3.42Å; L467-K470 PolarHBondContact O-N 3.23Å; L467-K470 VanDerWaalsContact O-N 3.15Å; L468-K470 PolarHBondContact O-N 3.08Å
471S92.8Very high88.7Confident5 Ų543.1 Ų43.14%0.03523%0.23CC..  trans-67136.5-177.9177.20000111.3L249 G250 L468 Q469 N473L249-S471 PolarHBondContact O-OG 3.38Å; G250-S471 CarbonylContact O-C 3.57Å; G250-S471 VanDerWaalsContact O-CA 3.23Å; G250-S471 WeakPolarHBondContact O-CA 3.4Å; L468-S471 WeakPolarHBondContact O-CB 3.49Å; L468-S471 PolarHBondContact O-N 3.33Å; L468-S471 VanDerWaalsContact O-N 3.14Å; Q469-S471 VanDerWaalsContact C-N 3.32Å; S471-N473 PolarHBondContact O-N 2.92Å; S471-N473 WeakPolarHBondContact OG-CB 3.12Å; S471-N473 PolarHBondContact OG-N 3.5Å
472D91.9Very high87.5Confident140 Ų14048 Ų4875%0.74926%0.255SS*.SBendtrans-74.3-11.5170.1-65.7-36.4000112.2G250 L474G250-D472 PolarHBondContact O-N 2.84Å; D472-L474 PolarHBondContact O-N 3.45Å
473N90.6Very high86.1Confident14 Ų1448.6 Ų48.68%0.07525%0.248CC..  trans-75.6111.7173.8-175.9-51.3000109.4S471 L475 L476 H477S471-N473 PolarHBondContact O-N 2.92Å; S471-N473 WeakPolarHBondContact OG-CB 3.12Å; S471-N473 PolarHBondContact OG-N 3.5Å; N473-L475 VanDerWaalsContact C-N 3.25Å; N473-L475 PolarHBondContact O-N 2.79Å; N473-L475 PolarHBondContact OD1-N 3.41Å; N473-L475 VanDerWaalsContact OD1-N 3.12Å; N473-L476 HydrophobicContact CB-CB 4.17Å; N473-L476 HydrophobicContact CB-CD1 4.11Å; N473-L476 HydrophobicContact CB-CG 4.26Å; N473-L476 PolarHBondContact O-N 2.97Å; N473-L476 VanDerWaalsContact O-N 3.07Å; N473-L476 PolarHBondContact OD1-N 2.67Å; N473-H477 PolarHBondContact O-N 3.5Å
474L90.4Very high84Confident123 Ų12353.7 Ų53.764%0.64427%0.272SS*.Hα-helixtrans-53.6-39.5-175.3-64.1175.7000113.4D472 H477 E478D472-L474 PolarHBondContact O-N 3.45Å; L474-H477 PolarHBondContact O-N 2.93Å; L474-E478 WeakPolarHBondContact O-CB 3.5Å; L474-E478 PolarHBondContact O-N 2.63Å
475L91.8Very high81.4Confident1 Ų159.9 Ų59.91%0.00531%0.31CS..Hα-helixtrans-70.8-42.2179.3177.760.6000111.9Q206 I207 I210 L296 W299 N473 H477 E478 I479Q206-L475 HydrophobicContact CB-CB 4.09Å; Q206-L475 HydrophobicContact CB-CD2 4.26Å; I207-L475 HydrophobicContact CB-CD2 4.45Å; I207-L475 HydrophobicContact CD1-CD2 4.43Å; I207-L475 HydrophobicContact CG1-CD2 3.42Å; I207-L475 VanDerWaalsContact CG1-CD2 3.42Å; I210-L475 HydrophobicContact CD1-CB 4.3Å; I210-L475 HydrophobicContact CD1-CD2 3.82Å; I210-L475 HydrophobicContact CD1-CG 4.09Å; L296-L475 HydrophobicContact CD1-CD2 4.12Å; W299-L475 HydrophobicContact CD2-CD1 3.79Å; W299-L475 HydrophobicContact CE3-CD1 4.13Å; W299-L475 HydrophobicContact CG-CD1 4.41Å; W299-L475 HydrophobicContact CH2-CD1 3.77Å; W299-L475 HydrophobicContact CH2-CD2 4.49Å; W299-L475 HydrophobicContact CZ2-CD1 3.34Å; W299-L475 HydrophobicContact CZ3-CD1 4.14Å; W299-L475 HydrophobicContact CZ3-CD2 4.46Å; N473-L475 VanDerWaalsContact C-N 3.25Å; N473-L475 PolarHBondContact O-N 2.79Å; N473-L475 PolarHBondContact OD1-N 3.41Å; N473-L475 VanDerWaalsContact OD1-N 3.12Å; L475-H477 VanDerWaalsContact C-N 3.33Å; L475-E478 PolarHBondContact O-N 2.92Å; L475-I479 HydrophobicContact CD1-CD1 3.91Å; L475-I479 HydrophobicContact CD1-CG1 4.19Å; L475-I479 HydrophobicContact CG-CD1 3.85Å; L475-I479 WeakPolarHBondContact O-CB 3.3Å; L475-I479 WeakPolarHBondContact O-CD1 3.33Å; L475-I479 WeakPolarHBondContact O-CG1 3.33Å; L475-I479 PolarHBondContact O-N 3.27Å
476L90Very high78.9Confident1 Ų165.1 Ų65.11%0.00533%0.333CS..Hα-helixtrans-63.3-42.8174.2-74177.5000110.9I210 L249 V292 N473 I479 F480I210-L476 HydrophobicContact CD1-CD1 4.4Å; I210-L476 HydrophobicContact CD1-CD2 3.72Å; I210-L476 HydrophobicContact CD1-CG 3.63Å; I210-L476 HydrophobicContact CG1-CD1 3.99Å; I210-L476 HydrophobicContact CG1-CD2 4Å; I210-L476 HydrophobicContact CG1-CG 3.78Å; I210-L476 HydrophobicContact CG2-CD2 4.15Å; L249-L476 HydrophobicContact CB-CD1 4.22Å; L249-L476 HydrophobicContact CD2-CD1 4Å; L249-L476 VanDerWaalsContact O-CD1 3.32Å; L249-L476 WeakPolarHBondContact O-CD1 3.45Å; V292-L476 HydrophobicContact CG1-CD2 3.94Å; N473-L476 HydrophobicContact CB-CB 4.17Å; N473-L476 HydrophobicContact CB-CD1 4.11Å; N473-L476 HydrophobicContact CB-CG 4.26Å; N473-L476 PolarHBondContact O-N 2.97Å; N473-L476 VanDerWaalsContact O-N 3.07Å; N473-L476 PolarHBondContact OD1-N 2.67Å; L476-I479 PolarHBondContact O-N 2.71Å; L476-F480 HydrophobicContact CD2-CE2 4.1Å; L476-F480 VanDerWaalsContact O-CD2 3.27Å; L476-F480 WeakPolarHBondContact O-CD2 3.29Å; L476-F480 PolarHBondContact O-N 3.5Å; L476-F480 VanDerWaalsContact O-N 3.07Å
477H89.6Confident76.3Confident88 Ų8870 Ų7041%0.40735%0.352SS..Hα-helixtrans-58.9-49.1175.5-171.9-79.7000111.2Q469 N473 L474 L475 I479 F480 S481Q469-H477 PolarHBondContact O-CD2 2.9Å; Q469-H477 VanDerWaalsContact O-CD2 3.27Å; N473-H477 PolarHBondContact O-N 3.5Å; L474-H477 PolarHBondContact O-N 2.93Å; L475-H477 VanDerWaalsContact C-N 3.33Å; H477-I479 PolarHBondContact O-N 3.28Å; H477-F480 PolarHBondContact O-N 2.87Å; H477-S481 PolarHBondContact CE1-OG 3.4Å; H477-S481 PolarHBondContact ND1-OG 3.36Å; H477-S481 WeakPolarHBondContact O-CB 3.43Å; H477-S481 PolarHBondContact O-N 3.37Å; H477-S481 PolarHBondContact O-OG 3.35Å
478E90.4Very high73.4Confident66 Ų6674.1 Ų74.131%0.30838%0.379SS..Hα-helixtrans-52.1-50.6174.6-174.9-176.5140.800111.8R203 W299 L474 L475 F480R203-E478 IonicContact NH2-OE2 3.96Å; R203-E478 PolarHBondContact NH2-OE2 3.06Å; W299-E478 PolarHBondContact NE1-OE1 3.25Å; L474-E478 WeakPolarHBondContact O-CB 3.5Å; L474-E478 PolarHBondContact O-N 2.63Å; L475-E478 PolarHBondContact O-N 2.92Å; E478-F480 VanDerWaalsContact C-N 3.33Å; E478-F480 PolarHBondContact O-N 3.26Å
479I89.7Confident70.5Confident11 Ų1182.5 Ų82.56%0.05642%0.424CS..Hα-helixtrans-61.8-37.3-177-71.1169.5000112.8Q295 L296 W299 L475 L476 H477Q295-I479 HydrophobicContact CB-CG2 3.49Å; Q295-I479 VanDerWaalsContact CB-CG2 3.49Å; Q295-I479 HydrophobicContact CG-CG2 4.36Å; L296-I479 HydrophobicContact CD1-CD1 4.2Å; W299-I479 HydrophobicContact CB-CD1 4.04Å; W299-I479 HydrophobicContact CB-CG1 3.86Å; W299-I479 HydrophobicContact CG-CD1 4.12Å; W299-I479 HydrophobicContact CG-CG1 3.82Å; L475-I479 HydrophobicContact CD1-CD1 3.91Å; L475-I479 HydrophobicContact CD1-CG1 4.19Å; L475-I479 HydrophobicContact CG-CD1 3.85Å; L475-I479 WeakPolarHBondContact O-CB 3.3Å; L475-I479 WeakPolarHBondContact O-CD1 3.33Å; L475-I479 WeakPolarHBondContact O-CG1 3.33Å; L475-I479 PolarHBondContact O-N 3.27Å; L476-I479 PolarHBondContact O-N 2.71Å; H477-I479 PolarHBondContact O-N 3.28Å
480F86.8Confident67.7Low14 Ų1482.5 Ų82.56%0.06143%0.43CS..Hα-helixtrans-100.3-13.8-173.4-72.7-82.6000114.4V291 Q295 L468 Q469 L476 H477 E478V291-F480 HydrophobicContact CG1-CE1 3.82Å; V291-F480 HydrophobicContact CG1-CZ 3.95Å; Q295-F480 HydrophobicContact CB-CE2 4.38Å; Q295-F480 HydrophobicContact CB-CZ 3.92Å; Q295-F480 HydrophobicContact CG-CE1 3.92Å; Q295-F480 HydrophobicContact CG-CZ 3.78Å; L468-F480 HydrophobicContact CB-CD1 4.32Å; L468-F480 HydrophobicContact CB-CD2 3.91Å; L468-F480 HydrophobicContact CB-CE2 4.18Å; L468-F480 HydrophobicContact CB-CG 4.02Å; L468-F480 HydrophobicContact CB-CZ 4.5Å; L468-F480 HydrophobicContact CD1-CD1 4.34Å; L468-F480 HydrophobicContact CD1-CD2 4.32Å; L468-F480 HydrophobicContact CD1-CE1 3.75Å; L468-F480 HydrophobicContact CD1-CE2 3.77Å; L468-F480 HydrophobicContact CD1-CZ 3.46Å; L468-F480 VanDerWaalsContact CD1-CZ 3.46Å; L468-F480 HydrophobicContact CG-CE2 4.46Å; Q469-F480 HydrophobicContact CG-CB 4Å; Q469-F480 PolarHBondContact NE2-O 2.89Å; L476-F480 HydrophobicContact CD2-CE2 4.1Å; L476-F480 VanDerWaalsContact O-CD2 3.27Å; L476-F480 WeakPolarHBondContact O-CD2 3.29Å; L476-F480 PolarHBondContact O-N 3.5Å; L476-F480 VanDerWaalsContact O-N 3.07Å; H477-F480 PolarHBondContact O-N 2.87Å; E478-F480 VanDerWaalsContact C-N 3.33Å; E478-F480 PolarHBondContact O-N 3.26Å
481S80.3Confident65Low34 Ų3487.4 Ų87.424%0.23845%0.451CS..Hα-helixtrans-84.4-36.8176.7-65.20000114H477 K483 E484H477-S481 PolarHBondContact CE1-OG 3.4Å; H477-S481 PolarHBondContact ND1-OG 3.36Å; H477-S481 WeakPolarHBondContact O-CB 3.43Å; H477-S481 PolarHBondContact O-N 3.37Å; H477-S481 PolarHBondContact O-OG 3.35Å; S481-K483 PolarHBondContact O-N 3.4Å; S481-E484 PolarHBondContact O-N 3.05Å
482D57.7Low62.2Low123 Ų12390.7 Ų90.766%0.65849%0.486SS*.THydrogen-bonded Turntrans-62.5-11.8-175.8-88.4-9.1000114.5T485D482-T485 PolarHBondContact O-OG1 3.49Å
483K55.3Low59.8Low101 Ų10189.9 Ų89.944%0.43948%0.481SS..THydrogen-bonded Turntrans-96.7-0.6-175.2-64.1-171.2175.6-175.40114.8E298 S481 T485 E486E298-K483 IonicContact OE2-NZ 3.41Å; E298-K483 PolarHBondContact OE2-NZ 3.19Å; S481-K483 PolarHBondContact O-N 3.4Å; K483-T485 PolarHBondContact O-N 3.29Å; K483-E486 PolarHBondContact O-N 3.18Å
484E42.1Very low57.6Low137 Ų13791.7 Ų91.764%0.6450%0.495SS*.G310 helixtrans-63.9-27.3173.1-71.1-166.5156.400112.5S481 E486S481-E484 PolarHBondContact O-N 3.05Å; E484-E486 PolarHBondContact O-N 3.38Å
485T34.5Very low56.2Low133 Ų13393.7 Ų93.782%0.81649%0.494SS*.G310 helixtrans-79.6-10.6-178.215.80000115.6D482 K483D482-T485 PolarHBondContact O-OG1 3.49Å; K483-T485 PolarHBondContact O-N 3.29Å
486E33.5Very low55.4Low171 Ų17197.1 Ų97.180%0.79952%0.515SS*.G310 helixtrans-114.422.1176.2-70.2-159165.100113.7K483 E484 P488K483-E486 PolarHBondContact O-N 3.18Å; E484-E486 PolarHBondContact O-N 3.38Å; E486-P488 WeakPolarHBondContact O-CD 3.48Å
487I34.2Very low55.3Low128 Ų12897.4 Ų97.466%0.65652%0.517SS*.  trans-101.480.4162.6-50.6175.4000107.5N489I487-N489 PolarHBondContact O-N 2.99Å; I487-N489 VanDerWaalsContact O-N 3.13Å
488P29.2Very low55.1Low89 Ų8994.8 Ų94.858%0.57851%0.507SS*.  trans-61.8124.9168.226.4-29.9000107.3E486 S490E486-P488 WeakPolarHBondContact O-CD 3.48Å; P488-S490 PolarHBondContact O-N 3.26Å
489N30.4Very low55.2Low176 Ų17691.8 Ų91.894%0.94149%0.492SS*.  trans-57.474.5160.7-86-38.6000109.5I487I487-N489 PolarHBondContact O-N 2.99Å; I487-N489 VanDerWaalsContact O-N 3.13Å
490S31.8Very low55.1Low56 Ų5692.5 Ų92.539%0.39250%0.499SS..  trans-120.6105.5172.859.40000108.8P488 G492 L493P488-S490 PolarHBondContact O-N 3.26Å; S490-G492 VanDerWaalsContact C-N 3.34Å; S490-G492 PolarHBondContact O-N 3.01Å; S490-L493 WeakPolarHBondContact OG-CD1 3.34Å
491K32.6Very low55.2Low224 Ų22498 Ų9897%0.97452%0.522SS*.THydrogen-bonded Turntrans-5196.9160.8-64.8173.1178.6174.90107.9
492G33.8Very low55.6Low74 Ų7496.8 Ų96.876%0.76351%0.513SS*.THydrogen-bonded Turntrans144.2-1.7174.800000119S490 S494S490-G492 VanDerWaalsContact C-N 3.34Å; S490-G492 PolarHBondContact O-N 3.01Å; G492-S494 PolarHBondContact O-N 2.99Å
493L40.8Very low57.2Low123 Ų12393.4 Ų93.464%0.64449%0.493SS*.  trans-72.7102.8169.7-95.391.8000110S490 R495S490-L493 WeakPolarHBondContact OG-CD1 3.34Å; L493-R495 PolarHBondContact O-N 3.35Å
494S45.6Very low58.9Low52 Ų5292.7 Ų92.736%0.36449%0.493SS..  trans-41125.5156.8169.40000109.1R401 G492 V496R401-S494 PolarHBondContact NE-OG 3.49Å; R401-S494 PolarHBondContact NH2-OG 3.42Å; G492-S494 PolarHBondContact O-N 2.99Å; S494-V496 PolarHBondContact O-N 2.76Å
495R61.1Low61.2Low166 Ų16688.4 Ų88.463%0.62648%0.478SS*.  trans-45.6108.9173.4-71.1179.5176.4152.80.1109N403 L493 T497N403-R495 PolarHBondContact OD1-NH1 3.45Å; L493-R495 PolarHBondContact O-N 3.35Å; R495-T497 PolarHBondContact O-N 3.01Å
496V75Confident63.8Low73 Ų7382.3 Ų82.344%0.44244%0.441SS..  trans-73.1112.2-177.7-175.60000107.4S494 S500 K501S494-V496 PolarHBondContact O-N 2.76Å; V496-S500 WeakPolarHBondContact CG1-OG 3.28Å; V496-K501 HydrophobicContact CG1-CD 4.4Å; V496-K501 HydrophobicContact CG1-CG 3.53Å
497T86.6Confident66.6Low7 Ų776.8 Ų76.84%0.04342%0.415CS..  trans-76.3160.4-177.261.80000111.9N397 N456 R495 I499 S500 K501N397-T497 WeakPolarHBondContact OD1-CB 3.46Å; N397-T497 WeakPolarHBondContact OD1-CG2 3.46Å; N397-T497 PolarHBondContact OD1-OG1 3.4Å; N456-T497 WeakPolarHBondContact O-CA 3.4Å; N456-T497 WeakPolarHBondContact O-CB 3.08Å; N456-T497 WeakPolarHBondContact OD1-CB 3.27Å; R495-T497 PolarHBondContact O-N 3.01Å; T497-I499 VanDerWaalsContact C-N 3.31Å; T497-I499 PolarHBondContact O-N 2.84Å; T497-S500 PolarHBondContact N-OG 3.4Å; T497-S500 PolarHBondContact O-N 2.94Å; T497-S500 VanDerWaalsContact O-N 3.09Å; T497-S500 PolarHBondContact O-OG 2.94Å; T497-S500 WeakPolarHBondContact OG1-CB 3.37Å; T497-S500 PolarHBondContact OG1-N 3.34Å; T497-S500 PolarHBondContact OG1-OG 3.18Å; T497-S500 VanDerWaalsContact OG1-OG 3.12Å; T497-K501 PolarHBondContact O-N 3.39Å
498V86.8Confident69.3Low33 Ų3375.4 Ų75.420%0.241%0.409CS..Hα-helixtrans-55.4-46.6176.6177.70000111.3L130 K455 N456 D458 S500 K501 F502L130-V498 HydrophobicContact CD1-CG1 4.05Å; K455-V498 WeakPolarHBondContact O-CG2 3.14Å; N456-V498 PolarHBondContact O-N 2.6Å; N456-V498 PolarHBondContact OD1-N 3.36Å; D458-V498 HydrophobicContact CB-CG2 3.51Å; V498-S500 VanDerWaalsContact C-N 3.3Å; V498-S500 PolarHBondContact O-N 3.03Å; V498-K501 PolarHBondContact O-N 3.44Å; V498-F502 WeakPolarHBondContact O-CB 3.37Å; V498-F502 PolarHBondContact O-N 3.45Å
499I90.6Very high72.3Confident2 Ų271.2 Ų71.21%0.0138%0.382CS..Hα-helixtrans-58.6-42.8177.4-68.1167.4000110.8L335 F393 L396 N456 T497 F502 K503L335-I499 HydrophobicContact CD1-CD1 3.71Å; L335-I499 HydrophobicContact CD1-CG1 3.83Å; F393-I499 HydrophobicContact CB-CG2 3.72Å; F393-I499 HydrophobicContact CD1-CD1 3.99Å; F393-I499 HydrophobicContact CD1-CG1 4.46Å; F393-I499 HydrophobicContact CD1-CG2 3.7Å; F393-I499 HydrophobicContact CD2-CG2 3.84Å; F393-I499 HydrophobicContact CE1-CD1 4.49Å; F393-I499 HydrophobicContact CE1-CG2 4.25Å; F393-I499 HydrophobicContact CE2-CG2 4.38Å; F393-I499 HydrophobicContact CG-CG2 3.47Å; F393-I499 VanDerWaalsContact CG-CG2 3.47Å; L396-I499 HydrophobicContact CB-CD1 3.99Å; L396-I499 HydrophobicContact CD1-CD1 3.74Å; N456-I499 HydrophobicContact CB-CD1 4.36Å; N456-I499 WeakPolarHBondContact OD1-CB 3.35Å; N456-I499 WeakPolarHBondContact OD1-CD1 3.45Å; N456-I499 WeakPolarHBondContact OD1-CG1 3.48Å; N456-I499 PolarHBondContact OD1-N 2.9Å; T497-I499 VanDerWaalsContact C-N 3.31Å; T497-I499 PolarHBondContact O-N 2.84Å; I499-F502 PolarHBondContact O-N 2.71Å; I499-K503 VanDerWaalsContact O-CB 3.28Å; I499-K503 WeakPolarHBondContact O-CB 3.33Å; I499-K503 PolarHBondContact O-N 3.11Å
500S89.4Confident75.2Confident27 Ų2763.6 Ų63.619%0.18934%0.341CS..Hα-helixtrans-66.9-41.1-179.368.30000112.8V496 T497 V498 F502 N504V496-S500 WeakPolarHBondContact CG1-OG 3.28Å; T497-S500 PolarHBondContact N-OG 3.4Å; T497-S500 PolarHBondContact O-N 2.94Å; T497-S500 VanDerWaalsContact O-N 3.09Å; T497-S500 PolarHBondContact O-OG 2.94Å; T497-S500 WeakPolarHBondContact OG1-CB 3.37Å; T497-S500 PolarHBondContact OG1-N 3.34Å; T497-S500 PolarHBondContact OG1-OG 3.18Å; T497-S500 VanDerWaalsContact OG1-OG 3.12Å; V498-S500 VanDerWaalsContact C-N 3.3Å; V498-S500 PolarHBondContact O-N 3.03Å; S500-F502 VanDerWaalsContact C-N 3.33Å; S500-F502 PolarHBondContact O-N 2.94Å; S500-N504 WeakPolarHBondContact O-CB 3.41Å; S500-N504 VanDerWaalsContact O-CG 3.22Å; S500-N504 PolarHBondContact O-N 3.17Å; S500-N504 PolarHBondContact O-ND2 2.76Å
501K88.3Confident78Confident128 Ų12867 Ų6756%0.55735%0.348SS*.Hα-helixtrans-61.6-44.2173.4-65.1-173.5-178.4176.50111.1V496 T497 V498 S505V496-K501 HydrophobicContact CG1-CD 4.4Å; V496-K501 HydrophobicContact CG1-CG 3.53Å; T497-K501 PolarHBondContact O-N 3.39Å; V498-K501 PolarHBondContact O-N 3.44Å; K501-S505 WeakPolarHBondContact O-CB 3.34Å; K501-S505 PolarHBondContact O-N 2.79Å; K501-S505 PolarHBondContact O-OG 3.46Å
502F89.3Confident80.8Confident10 Ų1058 Ų584%0.04431%0.311CS..Hα-helixtrans-66.3-47.4-179.2-176-116.7000112.2L130 C339 Y342 A343 V498 I499 S500 N504 S505 L506L130-F502 HydrophobicContact CB-CD2 3.6Å; L130-F502 HydrophobicContact CB-CE2 3.53Å; L130-F502 HydrophobicContact CB-CZ 4.46Å; L130-F502 HydrophobicContact CD1-CB 4.46Å; L130-F502 HydrophobicContact CD1-CD2 4.13Å; L130-F502 HydrophobicContact CD1-CG 4.38Å; L130-F502 HydrophobicContact CD2-CD1 4.46Å; L130-F502 HydrophobicContact CD2-CD2 3.93Å; L130-F502 HydrophobicContact CD2-CE1 4.34Å; L130-F502 HydrophobicContact CD2-CE2 3.78Å; L130-F502 HydrophobicContact CD2-CG 4.24Å; L130-F502 HydrophobicContact CD2-CZ 3.97Å; L130-F502 HydrophobicContact CG-CD2 4.1Å; L130-F502 HydrophobicContact CG-CE2 4.2Å; C339-F502 HydrophobicContact CB-CD1 3.82Å; C339-F502 HydrophobicContact CB-CE1 3.7Å; C339-F502 HydrophobicContact CB-CZ 4.36Å; C339-F502 WeakPolarHBondContact O-CE1 3.4Å; Y342-F502 HydrophobicContact CD1-CD1 4.18Å; Y342-F502 AromaticContact CD1-CE1 3.85Å; Y342-F502 HydrophobicContact CD1-CE1 3.85Å; Y342-F502 HydrophobicContact CE1-CD1 4.34Å; Y342-F502 HydrophobicContact CE1-CE1 4.27Å; A343-F502 HydrophobicContact CB-CE1 4.22Å; A343-F502 HydrophobicContact CB-CZ 3.8Å; V498-F502 WeakPolarHBondContact O-CB 3.37Å; V498-F502 PolarHBondContact O-N 3.45Å; I499-F502 PolarHBondContact O-N 2.71Å; S500-F502 VanDerWaalsContact C-N 3.33Å; S500-F502 PolarHBondContact O-N 2.94Å; F502-N504 PolarHBondContact O-N 3.27Å; F502-S505 PolarHBondContact O-N 3.3Å; F502-L506 WeakPolarHBondContact O-CB 3.49Å; F502-L506 PolarHBondContact O-N 3.16Å
503K91Very high83.5Confident52 Ų5254.5 Ų54.523%0.22628%0.275CS..Hα-helixtrans-55.7-49.8175.5179173175.3175.70111.1E386 I499 S505 L506 E507E386-K503 HydrophobicContact CB-CD 4.49Å; E386-K503 PolarHBondContact O-NZ 2.93Å; E386-K503 WeakPolarHBondContact OE2-CE 3.48Å; E386-K503 IonicContact OE2-NZ 3.27Å; I499-K503 VanDerWaalsContact O-CB 3.28Å; I499-K503 WeakPolarHBondContact O-CB 3.33Å; I499-K503 PolarHBondContact O-N 3.11Å; K503-S505 VanDerWaalsContact C-N 3.33Å; K503-S505 PolarHBondContact O-N 3.17Å; K503-L506 PolarHBondContact O-N 3.49Å; K503-E507 WeakPolarHBondContact CE-OE1 3.48Å; K503-E507 HydrophobicContact CG-CG 4.49Å; K503-E507 WeakPolarHBondContact O-CB 3.38Å; K503-E507 WeakPolarHBondContact O-CG 3.4Å; K503-E507 PolarHBondContact O-N 3.4Å
504N90.7Very high85.8Confident85 Ų8554.2 Ų54.246%0.45527%0.273SS..Hα-helixtrans-60.4-42.2177.9-70.6-11.6000112.2S500 F502 E507 N508S500-N504 WeakPolarHBondContact O-CB 3.41Å; S500-N504 VanDerWaalsContact O-CG 3.22Å; S500-N504 PolarHBondContact O-N 3.17Å; S500-N504 PolarHBondContact O-ND2 2.76Å; F502-N504 PolarHBondContact O-N 3.27Å; N504-E507 PolarHBondContact O-N 2.9Å; N504-N508 VanDerWaalsContact O-CG 3.25Å; N504-N508 PolarHBondContact O-N 3.3Å; N504-N508 PolarHBondContact O-ND2 2.89Å
505S89.4Confident87.9Confident47 Ų4756.3 Ų56.333%0.32928%0.284SS..Hα-helixtrans-64.9-41.3178.7-56.20000111.8K501 F502 K503 N508 L509K501-S505 WeakPolarHBondContact O-CB 3.34Å; K501-S505 PolarHBondContact O-N 2.79Å; K501-S505 PolarHBondContact O-OG 3.46Å; F502-S505 PolarHBondContact O-N 3.3Å; K503-S505 VanDerWaalsContact C-N 3.33Å; K503-S505 PolarHBondContact O-N 3.17Å; S505-N508 PolarHBondContact O-N 2.81Å; S505-L509 PolarHBondContact O-N 3.13Å
506L90.6Very high89.2Confident5 Ų548.8 Ų48.83%0.02626%0.257CS..Hα-helixtrans-70.3-38.1178.3-172.865.1000112Y342 A343 K346 F502 K503 N508 L509 M510Y342-L506 HydrophobicContact CD1-CD2 3.98Å; Y342-L506 HydrophobicContact CE1-CD2 3.42Å; Y342-L506 VanDerWaalsContact CE1-CD2 3.42Å; A343-L506 HydrophobicContact CB-CD1 4.15Å; A343-L506 HydrophobicContact CB-CD2 3.99Å; K346-L506 HydrophobicContact CB-CD2 4.05Å; K346-L506 HydrophobicContact CD-CD2 3.64Å; K346-L506 HydrophobicContact CD-CG 4Å; K346-L506 HydrophobicContact CG-CD2 4.34Å; F502-L506 WeakPolarHBondContact O-CB 3.49Å; F502-L506 PolarHBondContact O-N 3.16Å; K503-L506 PolarHBondContact O-N 3.49Å; L506-N508 VanDerWaalsContact C-N 3.33Å; L506-N508 PolarHBondContact O-N 2.91Å; L506-L509 HydrophobicContact CD1-CD2 4.2Å; L506-L509 WeakPolarHBondContact O-CB 3.34Å; L506-L509 PolarHBondContact O-N 2.89Å; L506-M510 HydrophobicContact CD1-CE 3.82Å; L506-M510 HydrophobicContact CG-CE 4.45Å; L506-M510 WeakPolarHBondContact O-CG 3.47Å; L506-M510 PolarHBondContact O-N 3.09Å
507E91.3Very high89.9Confident56 Ų5646.9 Ų46.926%0.26225%0.248SC..Hα-helixtrans-61.2-41.2172.3-76.6177-172.300112K503 N504 L509 M510 K511K503-E507 WeakPolarHBondContact CE-OE1 3.48Å; K503-E507 HydrophobicContact CG-CG 4.49Å; K503-E507 WeakPolarHBondContact O-CB 3.38Å; K503-E507 WeakPolarHBondContact O-CG 3.4Å; K503-E507 PolarHBondContact O-N 3.4Å; N504-E507 PolarHBondContact O-N 2.9Å; E507-L509 VanDerWaalsContact C-N 3.34Å; E507-M510 PolarHBondContact O-N 3.04Å; E507-K511 WeakPolarHBondContact O-CG 3.25Å; E507-K511 PolarHBondContact O-N 3.07Å
508N91.4Very high90Very high98 Ų9847.5 Ų47.552%0.52425%0.253SS..Hα-helixtrans-63.5-41.2174.7-70.1-20.3000111.5N504 S505 L506 K511 L512N504-N508 VanDerWaalsContact O-CG 3.25Å; N504-N508 PolarHBondContact O-N 3.3Å; N504-N508 PolarHBondContact O-ND2 2.89Å; S505-N508 PolarHBondContact O-N 2.81Å; L506-N508 VanDerWaalsContact C-N 3.33Å; L506-N508 PolarHBondContact O-N 2.91Å; N508-K511 PolarHBondContact O-N 2.86Å; N508-L512 WeakPolarHBondContact O-CB 3.31Å; N508-L512 PolarHBondContact O-N 3.06Å
509L90.9Very high90.2Very high2 Ų247.2 Ų47.21%0.0125%0.249CC..Hα-helixtrans-61-46173175.962.9000111.4Y110 Y129 L322 S505 L506 E507 K511 L512 L513Y110-L509 HydrophobicContact CD2-CD1 3.97Å; Y110-L509 HydrophobicContact CE2-CD1 4.48Å; Y110-L509 HydrophobicContact CG-CD1 4.07Å; Y129-L509 HydrophobicContact CE1-CB 4.25Å; Y129-L509 HydrophobicContact CE2-CD1 4.45Å; Y129-L509 HydrophobicContact CE2-CD2 4.05Å; L322-L509 HydrophobicContact CD1-CD1 4.16Å; L322-L509 HydrophobicContact CD1-CD2 3.79Å; L322-L509 HydrophobicContact CD2-CD2 4.12Å; S505-L509 PolarHBondContact O-N 3.13Å; L506-L509 HydrophobicContact CD1-CD2 4.2Å; L506-L509 WeakPolarHBondContact O-CB 3.34Å; L506-L509 PolarHBondContact O-N 2.89Å; E507-L509 VanDerWaalsContact C-N 3.34Å; L509-K511 PolarHBondContact O-N 3.31Å; L509-L512 WeakPolarHBondContact O-CB 3.39Å; L509-L512 PolarHBondContact O-N 3.11Å; L509-L513 HydrophobicContact CD1-CG 4.3Å; L509-L513 HydrophobicContact CG-CD1 4.35Å; L509-L513 WeakPolarHBondContact O-CG 3.46Å; L509-L513 PolarHBondContact O-N 2.94Å
510M91.6Very high90.2Very high16 Ų1649.1 Ų49.18%0.07926%0.256CS..Hα-helixtrans-63.2-43179-68.4-49.4105.600111.8K346 L347 H350 L506 E507 L512 L513 L514K346-M510 HydrophobicContact CD-CG 4.2Å; K346-M510 HydrophobicContact CG-CG 3.97Å; K346-M510 HydrophobicContact CG-SD 4.28Å; L347-M510 HydrophobicContact CD2-CE 3.43Å; L347-M510 VanDerWaalsContact CD2-CE 3.43Å; L347-M510 HydrophobicContact CD2-SD 4.13Å; L347-M510 HydrophobicContact CG-CE 4.06Å; H350-M510 HydrophobicContact CB-SD 4.26Å; L506-M510 HydrophobicContact CD1-CE 3.82Å; L506-M510 HydrophobicContact CG-CE 4.45Å; L506-M510 WeakPolarHBondContact O-CG 3.47Å; L506-M510 PolarHBondContact O-N 3.09Å; E507-M510 PolarHBondContact O-N 3.04Å; M510-L512 VanDerWaalsContact C-N 3.28Å; M510-L512 PolarHBondContact O-N 3.19Å; M510-L513 HydrophobicContact CE-CD1 3.83Å; M510-L513 PolarHBondContact O-N 2.89Å; M510-L513 HydrophobicContact SD-CD1 4.19Å; M510-L514 WeakPolarHBondContact O-CG 3.4Å; M510-L514 PolarHBondContact O-N 3.08Å
511K91.7Very high90.3Very high126 Ų12648.9 Ų48.955%0.54825%0.254SS..Hα-helixtrans-57.9-43.2173.6-73.9171.8-174.3168.70111.2E507 N508 L509 L514 T515E507-K511 WeakPolarHBondContact O-CG 3.25Å; E507-K511 PolarHBondContact O-N 3.07Å; N508-K511 PolarHBondContact O-N 2.86Å; L509-K511 PolarHBondContact O-N 3.31Å; K511-L514 PolarHBondContact O-N 3.31Å; K511-T515 WeakPolarHBondContact O-CG2 3.46Å; K511-T515 PolarHBondContact O-N 3.24Å
512L90.6Very high90.5Very high37 Ų3745.1 Ų45.119%0.19424%0.236CC..Hα-helixtrans-63-45.9177.1-174.1145.7000111.3Y110 F318 N508 L509 M510 L514 T515Y110-L512 HydrophobicContact CE1-CD1 4.32Å; Y110-L512 HydrophobicContact CE1-CD2 3.74Å; Y110-L512 HydrophobicContact CE2-CD2 4.15Å; Y110-L512 VanDerWaalsContact CZ-CD2 3.41Å; Y110-L512 WeakPolarHBondContact OH-CD2 3.24Å; F318-L512 HydrophobicContact CE2-CD2 4.47Å; F318-L512 HydrophobicContact CZ-CD2 4.48Å; N508-L512 WeakPolarHBondContact O-CB 3.31Å; N508-L512 PolarHBondContact O-N 3.06Å; L509-L512 WeakPolarHBondContact O-CB 3.39Å; L509-L512 PolarHBondContact O-N 3.11Å; M510-L512 VanDerWaalsContact C-N 3.28Å; M510-L512 PolarHBondContact O-N 3.19Å; L512-L514 VanDerWaalsContact C-N 3.31Å; L512-L514 PolarHBondContact O-N 3.44Å; L512-T515 PolarHBondContact O-N 3.12Å; L512-T515 VanDerWaalsContact O-N 3.09Å; L512-T515 PolarHBondContact O-OG1 3.3Å
513L90.7Very high90.6Very high0 Ų045.2 Ų45.20%024%0.238CC..Hα-helixtrans-60-39.1177.4-68.6177000112.5V40 Y110 L322 L347 L509 M510 T515 T516V40-L513 HydrophobicContact CG2-CD1 4.49Å; V40-L513 HydrophobicContact CG2-CD2 4.22Å; Y110-L513 HydrophobicContact CE2-CD2 4.47Å; L322-L513 HydrophobicContact CD2-CD1 4.13Å; L347-L513 HydrophobicContact CD2-CD1 3.98Å; L509-L513 HydrophobicContact CD1-CG 4.3Å; L509-L513 HydrophobicContact CG-CD1 4.35Å; L509-L513 WeakPolarHBondContact O-CG 3.46Å; L509-L513 PolarHBondContact O-N 2.94Å; M510-L513 HydrophobicContact CE-CD1 3.83Å; M510-L513 PolarHBondContact O-N 2.89Å; M510-L513 HydrophobicContact SD-CD1 4.19Å; L513-T515 PolarHBondContact O-N 3.17Å; L513-T516 PolarHBondContact O-N 3.25Å; L513-T516 VanDerWaalsContact O-O 3.13Å; L513-T516 PolarHBondContact O-OG1 3.24Å
514L88.6Confident90.6Very high117 Ų11745.1 Ų45.161%0.61324%0.239SC*.Hα-helixtrans-64.4-23.1176.8-70.5168.8000113.7M510 K511 L512 T516M510-L514 WeakPolarHBondContact O-CG 3.4Å; M510-L514 PolarHBondContact O-N 3.08Å; K511-L514 PolarHBondContact O-N 3.31Å; L512-L514 VanDerWaalsContact C-N 3.31Å; L512-L514 PolarHBondContact O-N 3.44Å; L514-T516 VanDerWaalsContact C-N 3.31Å
515T89.4Confident90.6Very high95 Ų9541.6 Ų41.658%0.58322%0.22SC*.THydrogen-bonded Turntrans-85.1-5.2174.865.50000113.6K511 L512 L513K511-T515 WeakPolarHBondContact O-CG2 3.46Å; K511-T515 PolarHBondContact O-N 3.24Å; L512-T515 PolarHBondContact O-N 3.12Å; L512-T515 VanDerWaalsContact O-N 3.09Å; L512-T515 PolarHBondContact O-OG1 3.3Å; L513-T515 PolarHBondContact O-N 3.17Å
516T90.1Very high90.7Very high9 Ų942.1 Ų42.16%0.05522%0.222CC..SBendtrans-112.4161.8-178.664.80000110.9N36 S38 F318 L513 L514 P518N36-T516 HydrophobicContact CB-CG2 3.87Å; N36-T516 CarbonylContact O-C 3.58Å; N36-T516 WeakPolarHBondContact O-CA 3.43Å; N36-T516 WeakPolarHBondContact O-CB 3.42Å; S38-T516 VanDerWaalsContact CB-OG1 3.26Å; S38-T516 WeakPolarHBondContact CB-OG1 3.43Å; S38-T516 PolarHBondContact OG-OG1 2.92Å; F318-T516 HydrophobicContact CE2-CG2 3.77Å; F318-T516 HydrophobicContact CZ-CG2 3.73Å; L513-T516 PolarHBondContact O-N 3.25Å; L513-T516 VanDerWaalsContact O-O 3.13Å; L513-T516 PolarHBondContact O-OG1 3.24Å; L514-T516 VanDerWaalsContact C-N 3.31Å; T516-P518 VanDerWaalsContact O-CD 3.3Å; T516-P518 WeakPolarHBondContact O-CD 3.18Å
517A88.3Confident90.7Very high33 Ų3342 Ų4227%0.27322%0.221SC..EExtended strand (participates in β ladder)trans-83.6113.6165.600000109.8V35 N36 Q37 S38V35-A517 HydrophobicContact CG1-CB 4.41Å; N36-A517 PolarHBondContact O-N 3.43Å; Q37-A517 WeakPolarHBondContact CA-O 3.5Å; S38-A517 PolarHBondContact N-O 3.28Å
518P90.4Very high90.4Very high20 Ų2042.2 Ų42.213%0.1323%0.229CC..EExtended strand (participates in β ladder)trans-87.6136.7-174.234.4-34.2000112.9S38 H354 T516 Y520S38-P518 CarbonylContact O-C 3.25Å; S38-P518 WeakPolarHBondContact O-CA 3.37Å; S38-P518 WeakPolarHBondContact OG-CA 3.34Å; H354-P518 VanDerWaalsContact CE1-CG 3.47Å; H354-P518 WeakPolarHBondContact CE1-CG 3.43Å; T516-P518 VanDerWaalsContact O-CD 3.3Å; T516-P518 WeakPolarHBondContact O-CD 3.18Å; P518-Y520 HydrophobicContact CB-CE2 3.86Å; P518-Y520 HydrophobicContact CG-CE2 4.08Å
519H90.9Very high90.1Very high26 Ų2641.8 Ų41.812%0.1223%0.227CC..EExtended strand (participates in β ladder)trans-116.5121172.8-65.1-88.7000108.7V20 Q37 S38 L39 V40V20-H519 HydrophobicContact CG1-CB 3.97Å; Q37-H519 PolarHBondContact OE1-NE2 3Å; S38-H519 PolarHBondContact O-N 3.47Å; L39-H519 CarbonylContact C-O 3.49Å; L39-H519 WeakPolarHBondContact CA-O 3.45Å; L39-H519 HydrophobicContact CD2-CB 3.9Å; L39-H519 HydrophobicContact CG-CB 4.41Å; V40-H519 PolarHBondContact N-O 3.09Å
520Y89.6Confident89.5Confident43 Ų4345.7 Ų45.717%0.16925%0.254CS..EExtended strand (participates in β ladder)trans-100.4130.4-176.1-69.7-90.1000111.9V40 H350 F351 P518V40-Y520 HydrophobicContact CB-CD1 3.8Å; V40-Y520 HydrophobicContact CB-CE1 3.94Å; V40-Y520 HydrophobicContact CG1-CD1 3.93Å; V40-Y520 HydrophobicContact CG1-CE1 3.93Å; V40-Y520 HydrophobicContact CG2-CE1 4.24Å; H350-Y520 PolarHBondContact CE1-OH 2.79Å; H350-Y520 VanDerWaalsContact CE1-OH 3.27Å; H350-Y520 AromaticContact ND1-CZ 3.9Å; H350-Y520 PolarHBondContact ND1-OH 3.38Å; F351-Y520 WeakPolarHBondContact CA-OH 2.95Å; F351-Y520 HydrophobicContact CB-CD1 4.38Å; F351-Y520 HydrophobicContact CB-CE1 3.79Å; F351-Y520 AromaticContact CD2-CD1 3.78Å; F351-Y520 HydrophobicContact CD2-CD1 3.78Å; F351-Y520 AromaticContact CD2-CD2 3.75Å; F351-Y520 HydrophobicContact CD2-CD2 3.75Å; F351-Y520 AromaticContact CD2-CE1 3.9Å; F351-Y520 HydrophobicContact CD2-CE1 3.9Å; F351-Y520 AromaticContact CD2-CE2 3.87Å; F351-Y520 HydrophobicContact CD2-CE2 3.87Å; F351-Y520 AromaticContact CD2-CG 3.68Å; F351-Y520 HydrophobicContact CD2-CG 3.68Å; F351-Y520 AromaticContact CD2-CZ 3.92Å; F351-Y520 HydrophobicContact CE2-CD2 4.24Å; F351-Y520 HydrophobicContact CE2-CG 4.17Å; F351-Y520 HydrophobicContact CG-CE1 4.34Å; F351-Y520 PolarHBondContact N-OH 3.39Å; P518-Y520 HydrophobicContact CB-CE2 3.86Å; P518-Y520 HydrophobicContact CG-CE2 4.08Å
521T91.8Very high89.3Confident22 Ų2252.9 Ų52.914%0.13528%0.28CS..EExtended strand (participates in β ladder)trans-118.8118.1170.2-58.20000109.4I17 V40 S42 T52I17-T521 HydrophobicContact CD1-CG2 3.75Å; I17-T521 WeakPolarHBondContact CD1-OG1 3.35Å; V40-T521 PolarHBondContact O-N 2.73Å; S42-T521 PolarHBondContact N-O 2.67Å; T52-T521 HydrophobicContact CG2-CG2 4Å
522R91.3Very high89.2Confident49 Ų4952.4 Ų52.419%0.18529%0.289CS..EExtended strand (participates in β ladder)trans-98.7113.8178.3-59.8-60.4-174.9160.410.1109.9S42 Q348 I549S42-R522 WeakPolarHBondContact OG-CD 3.48Å; S42-R522 PolarHBondContact OG-NH1 3.06Å; Q348-R522 VanDerWaalsContact OE1-NH1 3.12Å; R522-I549 HydrophobicContact CB-CD1 3.91Å; R522-I549 HydrophobicContact CG-CD1 4.04Å; R522-I549 HydrophobicContact CG-CG1 4.28Å
523C92.2Very high89.3Confident11 Ų1159.5 Ų59.57%0.07433%0.327CS..  trans-87.8130.3173.9-62.70000109.8S42 G43 A47 K49S42-C523 PolarHBondContact O-N 2.65Å; G43-C523 WeakPolarHBondContact CA-O 3.33Å; A47-C523 HydrophobicContact CB-CB 3.72Å; A47-C523 WeakPolarHBondContact O-CB 3.49Å; K49-C523 HydrophobicContact CG-CB 4.23Å
524I91.9Very high89.4Confident51 Ų5162.1 Ų62.126%0.26234%0.343SS..  trans-115130-177.5-57.2-61.1000109.9V540 Q543 L544 I549I524-V540 HydrophobicContact CG2-CG1 3.82Å; I524-V540 HydrophobicContact CG2-CG2 4.25Å; I524-Q543 HydrophobicContact CD1-CB 4.27Å; I524-L544 HydrophobicContact CD1-CD2 4.06Å; I524-L544 HydrophobicContact CG1-CD2 4.36Å; I524-I549 HydrophobicContact CD1-CD1 4.16Å
525K89.7Confident89.7Confident10 Ų1062.4 Ų62.44%0.04334%0.339CS..  trans-85.6119.7176.3-168.1174.9-174.8178.10109.5A47 R100 N527 Q543A47-K525 HydrophobicContact CB-CB 4.25Å; R100-K525 PolarHBondContact O-NZ 3.45Å; R100-K525 VanDerWaalsContact O-NZ 3.16Å; K525-N527 WeakPolarHBondContact CE-O 3.32Å; K525-N527 WeakPolarHBondContact CG-O 3.48Å; K525-Q543 PolarHBondContact O-NE2 2.8Å
526P92.4Very high89.9Confident58 Ų5861.1 Ų61.138%0.37733%0.325SS..SBendtrans-76.8-26.5-173.630.4-36.1000113.5F535 K536P526-F535 HydrophobicContact CB-CD2 4.24Å; P526-K536 PolarHBondContact O-N 3.06Å
527N89.8Confident90.1Very high3 Ų365.9 Ų65.92%0.01635%0.351CS..  trans-160148.9175.163.590.1000110.5K525 D529 C530 R531 T534 K536K525-N527 WeakPolarHBondContact CE-O 3.32Å; K525-N527 WeakPolarHBondContact CG-O 3.48Å; N527-D529 VanDerWaalsContact C-N 3.28Å; N527-D529 PolarHBondContact O-N 2.97Å; N527-D529 PolarHBondContact OD1-N 3.42Å; N527-C530 PolarHBondContact OD1-N 3.3Å; N527-R531 PolarHBondContact ND2-O 3.2Å; N527-R531 PolarHBondContact OD1-N 3.2Å; N527-T534 HydrophobicContact CB-CG2 4.36Å; N527-T534 PolarHBondContact ND2-O 3.24Å; N527-K536 HydrophobicContact CB-CD 4.07Å; N527-K536 HydrophobicContact CB-CG 4.06Å
528S84.7Confident90.2Very high61 Ų6174.1 Ų74.143%0.42738%0.375SS..THydrogen-bonded Turntrans-69.1-21.9177-63.60000114.6C530 E539S528-C530 VanDerWaalsContact C-N 3.25Å; S528-C530 PolarHBondContact O-N 3.25Å; S528-E539 PolarHBondContact N-OE2 2.82Å; S528-E539 PolarHBondContact OG-OE2 3.23Å
529D84.5Confident90.2Very high89 Ų8975.7 Ų75.748%0.47638%0.38SS..THydrogen-bonded Turntrans-82.11.6-174.2-49.1-39.5000113.6N527 R531 K536N527-D529 VanDerWaalsContact C-N 3.28Å; N527-D529 PolarHBondContact O-N 2.97Å; N527-D529 PolarHBondContact OD1-N 3.42Å; D529-R531 HydrophobicContact CB-CG 4.18Å; D529-R531 PolarHBondContact O-N 3.14Å; D529-R531 VanDerWaalsContact O-N 3.17Å; D529-K536 IonicContact OD1-NZ 3.88Å; D529-K536 PolarHBondContact OD1-NZ 3.49Å; D529-K536 WeakPolarHBondContact OD2-CE 3.06Å; D529-K536 IonicContact OD2-NZ 3.72Å; D529-K536 PolarHBondContact OD2-NZ 2.8Å
530C80.2Confident90.2Very high84 Ų8474.9 Ų74.957%0.56838%0.377SS*.  trans54.930.3-177.5-66.40000114N527 S528N527-C530 PolarHBondContact OD1-N 3.3Å; S528-C530 VanDerWaalsContact C-N 3.25Å; S528-C530 PolarHBondContact O-N 3.25Å
531R86.4Confident90.3Very high166 Ų16677 Ų7763%0.62639%0.39SS*.  trans-89.5131.9178.5-69.9-174.3177.8-178.9-0.3111.7N527 D529N527-R531 PolarHBondContact ND2-O 3.2Å; N527-R531 PolarHBondContact OD1-N 3.2Å; D529-R531 HydrophobicContact CB-CG 4.18Å; D529-R531 PolarHBondContact O-N 3.14Å; D529-R531 VanDerWaalsContact O-N 3.17Å
532P90.8Very high90.1Very high116 Ų11680.6 Ų80.675%0.75341%0.408SS*.THydrogen-bonded Turntrans-64.4153.9174.329-34.5000110.6T534P532-T534 PolarHBondContact O-N 3.08Å; P532-T534 PolarHBondContact O-OG1 3.09Å
533L91.4Very high90.1Very high187 Ų18778.6 Ų78.698%0.97940%0.401SS*.THydrogen-bonded Turntrans56.115.8175.4-55.4175.2000115.7
534T93.4Very high90Very high54 Ų5480.8 Ų80.833%0.33141%0.412SS..  trans-108.3126.8177.5-55.90000109.3N527 P532N527-T534 HydrophobicContact CB-CG2 4.36Å; N527-T534 PolarHBondContact ND2-O 3.24Å; P532-T534 PolarHBondContact O-N 3.08Å; P532-T534 PolarHBondContact O-OG1 3.09Å
535F94.3Very high89.7Confident124 Ų12482.7 Ų82.754%0.54442%0.42SS..  trans-125.4115.8-177.5-172-87.9000110.2P526 N537 V540P526-F535 HydrophobicContact CB-CD2 4.24Å; F535-N537 WeakPolarHBondContact CD1-OD1 3.12Å; F535-N537 WeakPolarHBondContact CE1-OD1 3.47Å; F535-V540 HydrophobicContact CD2-CG2 4.23Å; F535-V540 HydrophobicContact CE1-CB 4.24Å; F535-V540 HydrophobicContact CE1-CG1 4.49Å; F535-V540 HydrophobicContact CE1-CG2 4.22Å; F535-V540 HydrophobicContact CE2-CB 4.21Å; F535-V540 HydrophobicContact CE2-CG1 4.03Å; F535-V540 HydrophobicContact CE2-CG2 3.68Å; F535-V540 HydrophobicContact CZ-CB 3.73Å; F535-V540 HydrophobicContact CZ-CG1 3.59Å; F535-V540 HydrophobicContact CZ-CG2 3.68Å
536K94.2Very high89.4Confident67 Ų6783 Ų8329%0.29142%0.424SS..  trans-98.799.8178.2-70.2-176.2-178178.50109.6P526 N527 D529 R538 E539 V540P526-K536 PolarHBondContact O-N 3.06Å; N527-K536 HydrophobicContact CB-CD 4.07Å; N527-K536 HydrophobicContact CB-CG 4.06Å; D529-K536 IonicContact OD1-NZ 3.88Å; D529-K536 PolarHBondContact OD1-NZ 3.49Å; D529-K536 WeakPolarHBondContact OD2-CE 3.06Å; D529-K536 IonicContact OD2-NZ 3.72Å; D529-K536 PolarHBondContact OD2-NZ 2.8Å; K536-R538 VanDerWaalsContact C-N 3.3Å; K536-R538 PolarHBondContact O-N 2.89Å; K536-R538 VanDerWaalsContact O-N 3.17Å; K536-E539 HydrophobicContact CB-CB 4.18Å; K536-E539 HydrophobicContact CB-CG 4.13Å; K536-E539 VanDerWaalsContact CD-CD 3.48Å; K536-E539 HydrophobicContact CD-CG 4.37Å; K536-E539 WeakPolarHBondContact CD-OE1 3.13Å; K536-E539 IonicContact NZ-OE1 3.27Å; K536-E539 PolarHBondContact NZ-OE1 2.96Å; K536-E539 PolarHBondContact O-N 3.47Å; K536-E539 VanDerWaalsContact O-N 3.09Å; K536-V540 PolarHBondContact O-N 2.94Å; K536-V540 VanDerWaalsContact O-N 3.16Å
537N93.6Very high89Confident109 Ų10980.7 Ų80.758%0.58341%0.409SS*.Hα-helixtrans-47.4-49.1-175.7-68.3-17.4000113.5F535 E539 V540 I541F535-N537 WeakPolarHBondContact CD1-OD1 3.12Å; F535-N537 WeakPolarHBondContact CE1-OD1 3.47Å; N537-E539 PolarHBondContact O-N 2.72Å; N537-V540 PolarHBondContact O-N 3.03Å; N537-I541 VanDerWaalsContact O-CG1 3.29Å; N537-I541 WeakPolarHBondContact O-CG1 3.16Å; N537-I541 PolarHBondContact O-N 3.38Å
538R91.5Very high88.6Confident207 Ų20781 Ų8178%0.78141%0.413SS*.Hα-helixtrans-63.7-40.5-176.8-172.3176.5179.6180-0.1112.8K536 V540 L542K536-R538 VanDerWaalsContact C-N 3.3Å; K536-R538 PolarHBondContact O-N 2.89Å; K536-R538 VanDerWaalsContact O-N 3.17Å; R538-V540 VanDerWaalsContact C-N 3.34Å; R538-L542 VanDerWaalsContact O-CG 3.32Å; R538-L542 WeakPolarHBondContact O-CG 3.44Å; R538-L542 PolarHBondContact O-N 2.61Å
539E88.9Confident88.7Confident53 Ų5379.8 Ų79.825%0.24840%0.401CS..Hα-helixtrans-68-36.4178.9-66.9-178.9-160.600111.2S528 K536 N537 Q543S528-E539 PolarHBondContact N-OE2 2.82Å; S528-E539 PolarHBondContact OG-OE2 3.23Å; K536-E539 HydrophobicContact CB-CB 4.18Å; K536-E539 HydrophobicContact CB-CG 4.13Å; K536-E539 VanDerWaalsContact CD-CD 3.48Å; K536-E539 HydrophobicContact CD-CG 4.37Å; K536-E539 WeakPolarHBondContact CD-OE1 3.13Å; K536-E539 IonicContact NZ-OE1 3.27Å; K536-E539 PolarHBondContact NZ-OE1 2.96Å; K536-E539 PolarHBondContact O-N 3.47Å; K536-E539 VanDerWaalsContact O-N 3.09Å; N537-E539 PolarHBondContact O-N 2.72Å; E539-Q543 WeakPolarHBondContact O-CG 3.49Å; E539-Q543 PolarHBondContact O-N 3.44Å; E539-Q543 PolarHBondContact O-NE2 3.05Å
540V92.3Very high88.8Confident9 Ų978.2 Ų78.26%0.05540%0.395CS..Hα-helixtrans-74.4-41.1179.8174.60000111.8I524 F535 K536 N537 R538 L542 Q543 L544I524-V540 HydrophobicContact CG2-CG1 3.82Å; I524-V540 HydrophobicContact CG2-CG2 4.25Å; F535-V540 HydrophobicContact CD2-CG2 4.23Å; F535-V540 HydrophobicContact CE1-CB 4.24Å; F535-V540 HydrophobicContact CE1-CG1 4.49Å; F535-V540 HydrophobicContact CE1-CG2 4.22Å; F535-V540 HydrophobicContact CE2-CB 4.21Å; F535-V540 HydrophobicContact CE2-CG1 4.03Å; F535-V540 HydrophobicContact CE2-CG2 3.68Å; F535-V540 HydrophobicContact CZ-CB 3.73Å; F535-V540 HydrophobicContact CZ-CG1 3.59Å; F535-V540 HydrophobicContact CZ-CG2 3.68Å; K536-V540 PolarHBondContact O-N 2.94Å; K536-V540 VanDerWaalsContact O-N 3.16Å; N537-V540 PolarHBondContact O-N 3.03Å; R538-V540 VanDerWaalsContact C-N 3.34Å; V540-L542 VanDerWaalsContact C-N 3.32Å; V540-L542 PolarHBondContact O-N 2.94Å; V540-Q543 WeakPolarHBondContact O-CB 3.5Å; V540-Q543 PolarHBondContact O-N 3.03Å; V540-Q543 VanDerWaalsContact O-N 3.16Å; V540-L544 HydrophobicContact CG1-CD1 4.15Å; V540-L544 HydrophobicContact CG1-CG 4.26Å; V540-L544 WeakPolarHBondContact O-CG 3.36Å; V540-L544 PolarHBondContact O-N 3.28Å
541I91.1Very high88.9Confident86 Ų8675.7 Ų75.744%0.44138%0.375SS..Hα-helixtrans-57.9-46.8176.5-71.5166.6000110.7N537 Q543 L544 E545N537-I541 VanDerWaalsContact O-CG1 3.29Å; N537-I541 WeakPolarHBondContact O-CG1 3.16Å; N537-I541 PolarHBondContact O-N 3.38Å; I541-Q543 VanDerWaalsContact C-N 3.28Å; I541-Q543 PolarHBondContact O-N 3.42Å; I541-L544 PolarHBondContact O-N 3.42Å; I541-L544 VanDerWaalsContact O-N 3.1Å; I541-E545 HydrophobicContact CG2-CG 4.34Å; I541-E545 WeakPolarHBondContact CG2-OE1 3.37Å; I541-E545 WeakPolarHBondContact O-CG 3.38Å; I541-E545 PolarHBondContact O-N 3.22Å
542L87.8Confident88.8Confident99 Ų9968.7 Ų68.752%0.51835%0.35SS..Hα-helixtrans-58.6-39.5177.7-70.2171.2000112.3R538 V540 A546R538-L542 VanDerWaalsContact O-CG 3.32Å; R538-L542 WeakPolarHBondContact O-CG 3.44Å; R538-L542 PolarHBondContact O-N 2.61Å; V540-L542 VanDerWaalsContact C-N 3.32Å; V540-L542 PolarHBondContact O-N 2.94Å; L542-A546 WeakPolarHBondContact O-CB 3.37Å; L542-A546 PolarHBondContact O-N 3.19Å
543Q90.1Very high88.5Confident6 Ų668 Ų683%0.02834%0.339CS..Hα-helixtrans-66.9-40.4175.6-75.6170.579.300112.6E44 I524 K525 E539 V540 I541 C547E44-Q543 HydrophobicContact CG-CG 4.28Å; E44-Q543 WeakPolarHBondContact OE1-CG 3.44Å; I524-Q543 HydrophobicContact CD1-CB 4.27Å; K525-Q543 PolarHBondContact O-NE2 2.8Å; E539-Q543 WeakPolarHBondContact O-CG 3.49Å; E539-Q543 PolarHBondContact O-N 3.44Å; E539-Q543 PolarHBondContact O-NE2 3.05Å; V540-Q543 WeakPolarHBondContact O-CB 3.5Å; V540-Q543 PolarHBondContact O-N 3.03Å; V540-Q543 VanDerWaalsContact O-N 3.16Å; I541-Q543 VanDerWaalsContact C-N 3.28Å; I541-Q543 PolarHBondContact O-N 3.42Å; Q543-C547 VanDerWaalsContact O-CB 3.3Å; Q543-C547 WeakPolarHBondContact O-CB 3.39Å; Q543-C547 PolarHBondContact O-N 2.94Å; Q543-C547 PolarHBondContact O-SG 3.42Å
544L90.4Very high88.1Confident57 Ų5764.5 Ų64.530%0.29832%0.317SS..Hα-helixtrans-66.1-41.4179.5-67.9176.5000112I524 V540 I541 G548 I549 V550I524-L544 HydrophobicContact CD1-CD2 4.06Å; I524-L544 HydrophobicContact CG1-CD2 4.36Å; V540-L544 HydrophobicContact CG1-CD1 4.15Å; V540-L544 HydrophobicContact CG1-CG 4.26Å; V540-L544 WeakPolarHBondContact O-CG 3.36Å; V540-L544 PolarHBondContact O-N 3.28Å; I541-L544 PolarHBondContact O-N 3.42Å; I541-L544 VanDerWaalsContact O-N 3.1Å; L544-G548 PolarHBondContact O-N 3.42Å; L544-I549 HydrophobicContact CD2-CB 4.38Å; L544-I549 HydrophobicContact CD2-CD1 3.7Å; L544-I549 HydrophobicContact CD2-CG2 4.31Å; L544-I549 PolarHBondContact O-N 2.88Å; L544-I549 VanDerWaalsContact O-N 3.08Å; L544-V550 HydrophobicContact CB-CG2 4.47Å
545E86.4Confident87.5Confident92 Ų9261.9 Ų61.943%0.4330%0.302SS..Hα-helixtrans-65.2-51.3174.7-70173.8170.400110.7I541 C547 G548I541-E545 HydrophobicContact CG2-CG 4.34Å; I541-E545 WeakPolarHBondContact CG2-OE1 3.37Å; I541-E545 WeakPolarHBondContact O-CG 3.38Å; I541-E545 PolarHBondContact O-N 3.22Å; E545-C547 VanDerWaalsContact C-N 3.34Å; E545-C547 PolarHBondContact O-N 3.26Å; E545-G548 PolarHBondContact O-N 3.49Å
546A82.6Confident86.7Confident15 Ų1557.2 Ų57.212%0.12428%0.284CS..Hα-helixtrans-57.5-44.3177.600000112.5Y441 A442 L542 G548Y441-A546 HydrophobicContact CD2-CB 4.28Å; Y441-A546 WeakPolarHBondContact CD2-O 3.03Å; Y441-A546 HydrophobicContact CE2-CB 4.49Å; A442-A546 HydrophobicContact CB-CB 4.25Å; L542-A546 WeakPolarHBondContact O-CB 3.37Å; L542-A546 PolarHBondContact O-N 3.19Å; A546-G548 PolarHBondContact O-N 3.27Å; A546-G548 VanDerWaalsContact O-N 3.13Å
547C83.7Confident85.9Confident11 Ų1157.9 Ų57.97%0.07430%0.302CS..THydrogen-bonded Turntrans-69.2-9.6179.9-68.10000113.5Q348 Q543 E545 I549Q348-C547 PolarHBondContact NE2-O 2.94Å; Q543-C547 VanDerWaalsContact O-CB 3.3Å; Q543-C547 WeakPolarHBondContact O-CB 3.39Å; Q543-C547 PolarHBondContact O-N 2.94Å; Q543-C547 PolarHBondContact O-SG 3.42Å; E545-C547 VanDerWaalsContact C-N 3.34Å; E545-C547 PolarHBondContact O-N 3.26Å; C547-I549 VanDerWaalsContact C-N 3.27Å; C547-I549 HydrophobicContact CB-CD1 3.76Å; C547-I549 HydrophobicContact CB-CG1 3.77Å; C547-I549 PolarHBondContact O-N 3.03Å
548G82.7Confident85Confident9 Ų955.8 Ų55.89%0.09330%0.3CS..THydrogen-bonded Turntrans70.621-175.200000113.4L544 E545 A546 V550 E551 T552L544-G548 PolarHBondContact O-N 3.42Å; E545-G548 PolarHBondContact O-N 3.49Å; A546-G548 PolarHBondContact O-N 3.27Å; A546-G548 VanDerWaalsContact O-N 3.13Å; G548-V550 VanDerWaalsContact C-N 3.32Å; G548-E551 VanDerWaalsContact CA-OE2 3.29Å; G548-E551 WeakPolarHBondContact CA-OE2 3.47Å; G548-T552 WeakPolarHBondContact O-CB 3.3Å; G548-T552 PolarHBondContact O-N 3.3Å; G548-T552 PolarHBondContact O-OG1 3.06Å
549I87.4Confident84.2Confident35 Ų3546.4 Ų46.418%0.17927%0.268CS..Hα-helixtrans-68.7-36.6-174.9-69.1167.7000110.3R522 I524 L544 C547 T552 I553R522-I549 HydrophobicContact CB-CD1 3.91Å; R522-I549 HydrophobicContact CG-CD1 4.04Å; R522-I549 HydrophobicContact CG-CG1 4.28Å; I524-I549 HydrophobicContact CD1-CD1 4.16Å; L544-I549 HydrophobicContact CD2-CB 4.38Å; L544-I549 HydrophobicContact CD2-CD1 3.7Å; L544-I549 HydrophobicContact CD2-CG2 4.31Å; L544-I549 PolarHBondContact O-N 2.88Å; L544-I549 VanDerWaalsContact O-N 3.08Å; C547-I549 VanDerWaalsContact C-N 3.27Å; C547-I549 HydrophobicContact CB-CD1 3.76Å; C547-I549 HydrophobicContact CB-CG1 3.77Å; C547-I549 PolarHBondContact O-N 3.03Å; I549-T552 WeakPolarHBondContact O-CB 3.27Å; I549-T552 PolarHBondContact O-N 2.79Å; I549-I553 HydrophobicContact CG2-CD1 3.78Å; I549-I553 HydrophobicContact CG2-CG1 4.37Å; I549-I553 VanDerWaalsContact O-CG1 3.29Å; I549-I553 WeakPolarHBondContact O-CG1 3.39Å; I549-I553 PolarHBondContact O-N 3.11Å
550V85.6Confident83.6Confident56 Ų5645.2 Ų45.234%0.33926%0.262SS..Hα-helixtrans-61.4-52.3179.9-179.30000109.6L544 G548 T552 I553 H554L544-V550 HydrophobicContact CB-CG2 4.47Å; G548-V550 VanDerWaalsContact C-N 3.32Å; V550-T552 VanDerWaalsContact C-N 3.33Å; V550-T552 PolarHBondContact O-N 2.56Å; V550-I553 PolarHBondContact O-N 3.4Å; V550-H554 PolarHBondContact O-N 3.01Å; V550-H554 PolarHBondContact O-ND1 3.43Å
551E82.8Confident82.6Confident32 Ų3248 Ų4815%0.1528%0.28CS..Hα-helixtrans-62.3-40.6178.6-63.180.117900111.5G548 I553 H554 I555G548-E551 VanDerWaalsContact CA-OE2 3.29Å; G548-E551 WeakPolarHBondContact CA-OE2 3.47Å; E551-I553 VanDerWaalsContact C-N 3.33Å; E551-I553 PolarHBondContact O-N 3.32Å; E551-H554 PolarHBondContact O-N 3.28Å; E551-I555 WeakPolarHBondContact O-CG1 3.3Å; E551-I555 PolarHBondContact O-N 3.39Å
552T84.1Confident81.9Confident18 Ų1845.1 Ų45.111%0.1127%0.265CS..Hα-helixtrans-56.8-45.8175.4-60.30000111.6F351 Y355 G548 I549 V550 S556F351-T552 HydrophobicContact CZ-CG2 4.09Å; F351-T552 VanDerWaalsContact CZ-OG1 3.3Å; F351-T552 WeakPolarHBondContact CZ-OG1 3.41Å; Y355-T552 HydrophobicContact CD1-CG2 3.71Å; Y355-T552 HydrophobicContact CE1-CG2 3.29Å; G548-T552 WeakPolarHBondContact O-CB 3.3Å; G548-T552 PolarHBondContact O-N 3.3Å; G548-T552 PolarHBondContact O-OG1 3.06Å; I549-T552 WeakPolarHBondContact O-CB 3.27Å; I549-T552 PolarHBondContact O-N 2.79Å; V550-T552 VanDerWaalsContact C-N 3.33Å; V550-T552 PolarHBondContact O-N 2.56Å; T552-S556 VanDerWaalsContact O-CB 3.29Å; T552-S556 WeakPolarHBondContact O-CB 3.4Å; T552-S556 PolarHBondContact O-N 2.81Å; T552-S556 PolarHBondContact O-OG 2.93Å
553I84.4Confident81.5Confident103 Ų10344.4 Ų44.453%0.52826%0.256SS..Hα-helixtrans-66.1-43.6178.2-68.6166.1000110.2I549 V550 E551 I555 S556 A557I549-I553 HydrophobicContact CG2-CD1 3.78Å; I549-I553 HydrophobicContact CG2-CG1 4.37Å; I549-I553 VanDerWaalsContact O-CG1 3.29Å; I549-I553 WeakPolarHBondContact O-CG1 3.39Å; I549-I553 PolarHBondContact O-N 3.11Å; V550-I553 PolarHBondContact O-N 3.4Å; E551-I553 VanDerWaalsContact C-N 3.33Å; E551-I553 PolarHBondContact O-N 3.32Å; I553-I555 PolarHBondContact O-N 2.88Å; I553-S556 PolarHBondContact O-N 3.37Å; I553-A557 WeakPolarHBondContact O-CB 3.41Å; I553-A557 PolarHBondContact O-N 2.88Å
554H82.9Confident80.9Confident112 Ų11245.3 Ų45.352%0.51926%0.26SS..Hα-helixtrans-61.2-45.4178.2-73.585.9000112V550 E551 A557 A558V550-H554 PolarHBondContact O-N 3.01Å; V550-H554 PolarHBondContact O-ND1 3.43Å; E551-H554 PolarHBondContact O-N 3.28Å; H554-A557 PolarHBondContact O-N 3.25Å; H554-A558 VanDerWaalsContact O-CB 3.25Å; H554-A558 WeakPolarHBondContact O-CB 3.47Å; H554-A558 PolarHBondContact O-N 2.96Å
555I80.3Confident80.5Confident0 Ų045.4 Ų45.40%027%0.265CS..Hα-helixtrans-64-43.2176.5-69.7168.5000110.9L356 Q360 W370 V373 E551 I553 G559L356-I555 HydrophobicContact CB-CD1 4.15Å; L356-I555 HydrophobicContact CD2-CD1 3.7Å; L356-I555 HydrophobicContact CG-CD1 4.46Å; Q360-I555 HydrophobicContact CG-CG2 4.39Å; W370-I555 HydrophobicContact CZ2-CG2 4.32Å; V373-I555 HydrophobicContact CB-CD1 4.28Å; V373-I555 HydrophobicContact CB-CG1 3.73Å; V373-I555 HydrophobicContact CG1-CG1 3.99Å; V373-I555 HydrophobicContact CG2-CG1 4.02Å; E551-I555 WeakPolarHBondContact O-CG1 3.3Å; E551-I555 PolarHBondContact O-N 3.39Å; I553-I555 PolarHBondContact O-N 2.88Å; I555-G559 PolarHBondContact O-N 3.44Å
556S78.4Confident80.3Confident26 Ų2641.4 Ų41.418%0.18225%0.246CC..Hα-helixtrans-69.4-34.8-179.2-55.10000112.5Y355 T552 I553Y355-S556 PolarHBondContact OH-OG 3.34Å; T552-S556 VanDerWaalsContact O-CB 3.29Å; T552-S556 WeakPolarHBondContact O-CB 3.4Å; T552-S556 PolarHBondContact O-N 2.81Å; T552-S556 PolarHBondContact O-OG 2.93Å; I553-S556 PolarHBondContact O-N 3.37Å
557A76.3Confident80.2Confident81 Ų8147.5 Ų47.567%0.66927%0.27SS*.Hα-helixtrans-78.9-34.3179.700000113I553 H554I553-A557 WeakPolarHBondContact O-CB 3.41Å; I553-A557 PolarHBondContact O-N 2.88Å; H554-A557 PolarHBondContact O-N 3.25Å
558A75.1Confident79.8Confident65 Ų6549.5 Ų49.554%0.53728%0.284SS..Hα-helixtrans-75.3-28.1174.500000112.1W370 H554W370-A558 HydrophobicContact CH2-CB 3.64Å; W370-A558 HydrophobicContact CZ3-CB 4.02Å; W370-A558 WeakPolarHBondContact CZ3-O 3.3Å; H554-A558 VanDerWaalsContact O-CB 3.25Å; H554-A558 WeakPolarHBondContact O-CB 3.47Å; H554-A558 PolarHBondContact O-N 2.96Å
559G75.3Confident79.8Confident10 Ų1049.1 Ų49.110%0.10328%0.28CS..SBendtrans-93.3-167.2-179.100000114.8I555I555-G559 PolarHBondContact O-N 3.44Å
560F77.1Confident79.6Confident28 Ų2848.8 Ų48.812%0.12328%0.279CS..  trans-107.3106.3175.1-67.5-88000109.3Y363 L368 I562 S620 H623 F630 T632Y363-F560 PolarHBondContact OH-N 3.41Å; Y363-F560 PolarHBondContact OH-O 2.79Å; L368-F560 HydrophobicContact CD2-CD2 3.59Å; L368-F560 HydrophobicContact CD2-CE2 3.83Å; F560-I562 VanDerWaalsContact C-N 3.26Å; F560-I562 PolarHBondContact O-N 2.88Å; F560-S620 WeakPolarHBondContact CE1-O 3.08Å; F560-H623 HydrophobicContact CD2-CB 4.26Å; F560-H623 HydrophobicContact CE1-CB 4.41Å; F560-H623 HydrophobicContact CE2-CB 3.74Å; F560-H623 HydrophobicContact CZ-CB 3.83Å; F560-F630 HydrophobicContact CB-CB 3.63Å; F560-F630 HydrophobicContact CB-CD1 4.16Å; F560-F630 HydrophobicContact CB-CG 4.39Å; F560-F630 HydrophobicContact CD1-CB 4.4Å; F560-F630 HydrophobicContact CD2-CB 4.07Å; F560-F630 HydrophobicContact CG-CB 3.79Å; F560-T632 HydrophobicContact CD1-CG2 3.81Å; F560-T632 HydrophobicContact CE1-CG2 3.95Å
561P70Confident79.3Confident66 Ų6652 Ų5243%0.42929%0.291SS..SBendtrans-65.1-29.5-170.624.3-33.9000113.1
562I75.8Confident79.1Confident26 Ų2656.2 Ų56.213%0.13331%0.305CS..EExtended strand (participates in β ladder)trans-102.1126.1-174.8-63.2145.6000110.2F560 I564 F630 L631 Q633 L636F560-I562 VanDerWaalsContact C-N 3.26Å; F560-I562 PolarHBondContact O-N 2.88Å; I562-I564 HydrophobicContact CG2-CD1 4.17Å; I562-I564 HydrophobicContact CG2-CG1 4.1Å; I562-F630 CarbonylContact O-C 3.57Å; I562-F630 WeakPolarHBondContact O-CA 3.44Å; I562-L631 HydrophobicContact CB-CB 4.07Å; I562-L631 WeakPolarHBondContact CB-O 3.02Å; I562-L631 HydrophobicContact CG2-CB 4.11Å; I562-L631 HydrophobicContact CG2-CD1 4.09Å; I562-L631 PolarHBondContact N-O 3.43Å; I562-L631 PolarHBondContact O-N 2.9Å; I562-Q633 HydrophobicContact CD1-CB 4.44Å; I562-L636 HydrophobicContact CD1-CB 3.69Å; I562-L636 HydrophobicContact CD1-CD2 3.49Å; I562-L636 VanDerWaalsContact CD1-CD2 3.49Å; I562-L636 HydrophobicContact CD1-CG 4.19Å; I562-L636 HydrophobicContact CG1-CD2 4.05Å; I562-L636 HydrophobicContact CG2-CD2 4.31Å
563R79.9Confident79Confident84 Ų8455.5 Ų55.532%0.31730%0.3SS..EExtended strand (participates in β ladder)trans-130.4119.7-174.2-66.6171.4-84.7177.8-10.7110.1E362 V629 F630E362-R563 VanDerWaalsContact OE2-CD 3.27Å; E362-R563 WeakPolarHBondContact OE2-CD 3.32Å; E362-R563 IonicContact OE2-CZ 2.81Å; E362-R563 IonicContact OE2-NE 2.83Å; E362-R563 IonicContact OE2-NH1 3.85Å; E362-R563 PolarHBondContact OE2-NH1 3.33Å; R563-V629 WeakPolarHBondContact CA-O 3.32Å; R563-F630 HydrophobicContact CG-CD1 3.56Å; R563-F630 HydrophobicContact CG-CE1 3.54Å
564I77.1Confident78.9Confident25 Ų2551.3 Ų51.313%0.12828%0.283CS..EExtended strand (participates in β ladder)trans-128.9122.9-176.2-52.2-179.5000109.4I562 F569 Y573 K628 V629 L631I562-I564 HydrophobicContact CG2-CD1 4.17Å; I562-I564 HydrophobicContact CG2-CG1 4.1Å; I564-F569 HydrophobicContact CB-CB 4.43Å; I564-F569 HydrophobicContact CB-CD2 4.28Å; I564-F569 HydrophobicContact CD1-CD2 4.24Å; I564-F569 HydrophobicContact CG2-CB 3.79Å; I564-F569 HydrophobicContact CG2-CD2 4.28Å; I564-Y573 HydrophobicContact CD1-CE2 3.96Å; I564-K628 CarbonylContact O-C 3.52Å; I564-K628 WeakPolarHBondContact O-CA 3.38Å; I564-V629 PolarHBondContact N-O 2.78Å; I564-V629 PolarHBondContact O-N 3.36Å; I564-L631 HydrophobicContact CD1-CD1 3.84Å
565P82.5Confident78.8Confident60 Ų6048.8 Ų48.839%0.3928%0.276SS..EExtended strand (participates in β ladder)trans-53.7140.9172.4-24.833.8000112.2K567 S568 F569P565-K567 VanDerWaalsContact C-N 3.28Å; P565-K567 PolarHBondContact O-N 3.3Å; P565-S568 PolarHBondContact O-N 3.19Å; P565-F569 PolarHBondContact O-N 2.99Å
566L81.8Confident78.9Confident7 Ų749.8 Ų49.84%0.03728%0.282CS..Hα-helixtrans-52.6-45.1-176-72.6169.2000112.3F569 V570 L597 Q598 V601 K626 T627 V629L566-F569 PolarHBondContact O-N 2.83Å; L566-V570 WeakPolarHBondContact O-CG2 3.43Å; L566-V570 PolarHBondContact O-N 2.92Å; L566-L597 HydrophobicContact CB-CB 4.31Å; L566-Q598 HydrophobicContact CD1-CG 3.63Å; L566-Q598 HydrophobicContact CD2-CG 4.23Å; L566-V601 HydrophobicContact CD2-CB 4.15Å; L566-V601 HydrophobicContact CD2-CG1 4.33Å; L566-V601 HydrophobicContact CD2-CG2 3.64Å; L566-K626 WeakPolarHBondContact CD1-O 3.29Å; L566-T627 VanDerWaalsContact CG-O 3.28Å; L566-T627 WeakPolarHBondContact CG-O 3.17Å; L566-T627 PolarHBondContact N-O 2.94Å; L566-V629 HydrophobicContact CD2-CG2 3.67Å
567K80.6Confident78.5Confident143 Ų14349.4 Ų49.462%0.62228%0.282SS*.Hα-helixtrans-59.4-49.6177.4-174.6179.4-179.9178.70112P565 F569 V570 Q571P565-K567 VanDerWaalsContact C-N 3.28Å; P565-K567 PolarHBondContact O-N 3.3Å; K567-F569 VanDerWaalsContact C-N 3.32Å; K567-F569 PolarHBondContact O-N 3Å; K567-V570 PolarHBondContact O-N 3.45Å; K567-Q571 WeakPolarHBondContact O-CB 3.25Å; K567-Q571 PolarHBondContact O-N 3.19Å
568S76.2Confident77.9Confident54 Ų5455.7 Ų55.738%0.37829%0.288SS..Hα-helixtrans-64.9-37179.4-55.40000111.8P565 Q571 R572P565-S568 PolarHBondContact O-N 3.19Å; S568-Q571 PolarHBondContact O-N 2.96Å; S568-R572 VanDerWaalsContact O-CB 3.27Å; S568-R572 WeakPolarHBondContact O-CB 3.46Å; S568-R572 PolarHBondContact O-N 3.12Å
569F82.2Confident76.6Confident1 Ų155.2 Ų55.20%0.00428%0.28CS..Hα-helixtrans-62.3-50.5176.3-173.8-81.9000111I564 P565 L566 K567 Q571 R572 Y573 V601 L604 L605 V629 L631 L639I564-F569 HydrophobicContact CB-CB 4.43Å; I564-F569 HydrophobicContact CB-CD2 4.28Å; I564-F569 HydrophobicContact CD1-CD2 4.24Å; I564-F569 HydrophobicContact CG2-CB 3.79Å; I564-F569 HydrophobicContact CG2-CD2 4.28Å; P565-F569 PolarHBondContact O-N 2.99Å; L566-F569 PolarHBondContact O-N 2.83Å; K567-F569 VanDerWaalsContact C-N 3.32Å; K567-F569 PolarHBondContact O-N 3Å; F569-Q571 VanDerWaalsContact C-N 3.34Å; F569-Q571 PolarHBondContact O-N 3.02Å; F569-R572 PolarHBondContact O-N 3.48Å; F569-Y573 HydrophobicContact CD1-CD2 4Å; F569-Y573 AromaticContact CD2-CD2 3.52Å; F569-Y573 HydrophobicContact CD2-CD2 3.52Å; F569-Y573 AromaticContact CD2-CE2 3.63Å; F569-Y573 HydrophobicContact CD2-CE2 3.63Å; F569-Y573 AromaticContact CE1-CD2 3.98Å; F569-Y573 HydrophobicContact CE1-CD2 3.98Å; F569-Y573 AromaticContact CE2-CD2 3.47Å; F569-Y573 HydrophobicContact CE2-CD2 3.47Å; F569-Y573 VanDerWaalsContact CE2-CD2 3.47Å; F569-Y573 AromaticContact CE2-CE2 3.6Å; F569-Y573 HydrophobicContact CE2-CE2 3.6Å; F569-Y573 HydrophobicContact CE2-CG 4.49Å; F569-Y573 AromaticContact CG-CD2 3.79Å; F569-Y573 HydrophobicContact CG-CD2 3.79Å; F569-Y573 HydrophobicContact CG-CE2 4.3Å; F569-Y573 AromaticContact CZ-CD2 3.71Å; F569-Y573 HydrophobicContact CZ-CD2 3.71Å; F569-Y573 HydrophobicContact CZ-CE2 4.26Å; F569-Y573 HydrophobicContact CZ-CG 4.37Å; F569-Y573 WeakPolarHBondContact O-CB 3.48Å; F569-Y573 WeakPolarHBondContact O-CD2 3.22Å; F569-Y573 PolarHBondContact O-N 3.12Å; F569-V601 HydrophobicContact CD1-CB 4.4Å; F569-V601 HydrophobicContact CD1-CG1 4.06Å; F569-V601 HydrophobicContact CD1-CG2 3.77Å; F569-V601 HydrophobicContact CE1-CG1 4Å; F569-V601 HydrophobicContact CE1-CG2 4.4Å; F569-V601 HydrophobicContact CG-CG2 4.46Å; F569-L604 HydrophobicContact CD1-CD1 4.49Å; F569-L604 HydrophobicContact CE1-CB 4.35Å; F569-L604 HydrophobicContact CE1-CD1 4.31Å; F569-L605 HydrophobicContact CZ-CD2 3.85Å; F569-L605 HydrophobicContact CZ-CG 4.36Å; F569-V629 HydrophobicContact CB-CG2 4.12Å; F569-V629 HydrophobicContact CD1-CG2 4.41Å; F569-V629 HydrophobicContact CD2-CB 4.06Å; F569-V629 HydrophobicContact CD2-CG1 4.31Å; F569-V629 HydrophobicContact CD2-CG2 3.96Å; F569-V629 HydrophobicContact CE2-CB 4.45Å; F569-V629 HydrophobicContact CE2-CG1 4.2Å; F569-V629 HydrophobicContact CG-CB 4.49Å; F569-V629 HydrophobicContact CG-CG2 3.9Å; F569-L631 HydrophobicContact CE2-CD1 4.06Å; F569-L631 HydrophobicContact CE2-CD2 4.47Å; F569-L639 HydrophobicContact CE2-CD1 3.84Å; F569-L639 HydrophobicContact CZ-CD1 3.93Å
570V83.3Confident75Confident28 Ų2859.5 Ų59.517%0.1731%0.309CS..Hα-helixtrans-63.1-41.2178.2175.10000111L566 K567 R572 G574 L597 Q600 V601 L604L566-V570 WeakPolarHBondContact O-CG2 3.43Å; L566-V570 PolarHBondContact O-N 2.92Å; K567-V570 PolarHBondContact O-N 3.45Å; V570-R572 PolarHBondContact O-N 3.37Å; V570-G574 WeakPolarHBondContact O-CA 3.2Å; V570-G574 PolarHBondContact O-N 3.04Å; V570-L597 HydrophobicContact CG2-CD2 4.35Å; V570-Q600 HydrophobicContact CG2-CB 4.27Å; V570-V601 HydrophobicContact CG2-CG2 3.58Å; V570-L604 HydrophobicContact CG2-CD1 4.38Å
571Q79.6Confident73.3Confident123 Ų12363.2 Ų63.258%0.57534%0.344SS*.Hα-helixtrans-63.4-41.7177.5-172.6178.20.700112.2K567 S568 F569K567-Q571 WeakPolarHBondContact O-CB 3.25Å; K567-Q571 PolarHBondContact O-N 3.19Å; S568-Q571 PolarHBondContact O-N 2.96Å; F569-Q571 VanDerWaalsContact C-N 3.34Å; F569-Q571 PolarHBondContact O-N 3.02Å
572R79.1Confident72Confident121 Ų12164.2 Ų64.246%0.45735%0.353SS..Hα-helixtrans-75.5-44.2-177.5-173.9176.8-177.3107.3-2.1112.9S568 F569 V570 E640 R643S568-R572 VanDerWaalsContact O-CB 3.27Å; S568-R572 WeakPolarHBondContact O-CB 3.46Å; S568-R572 PolarHBondContact O-N 3.12Å; F569-R572 PolarHBondContact O-N 3.48Å; V570-R572 PolarHBondContact O-N 3.37Å; R572-E640 IonicContact CZ-OE1 2.71Å; R572-E640 IonicContact NE-OE1 3.49Å; R572-E640 PolarHBondContact NE-OE1 3.32Å; R572-E640 IonicContact NH2-OE1 3.96Å; R572-E640 PolarHBondContact NH2-OE1 2.91Å; R572-E640 IonicContact NH2-OE2 2.93Å; R572-R643 PolarHBondContact O-NE 3.3Å
573Y80.4Confident70.3Confident2 Ų268 Ų681%0.00838%0.382CS..Hα-helixtrans-103.6-4.6-172.2-59.1-65000114.1I564 F569 P575 I576 L604 L636 L639 E640I564-Y573 HydrophobicContact CD1-CE2 3.96Å; F569-Y573 HydrophobicContact CD1-CD2 4Å; F569-Y573 AromaticContact CD2-CD2 3.52Å; F569-Y573 HydrophobicContact CD2-CD2 3.52Å; F569-Y573 AromaticContact CD2-CE2 3.63Å; F569-Y573 HydrophobicContact CD2-CE2 3.63Å; F569-Y573 AromaticContact CE1-CD2 3.98Å; F569-Y573 HydrophobicContact CE1-CD2 3.98Å; F569-Y573 AromaticContact CE2-CD2 3.47Å; F569-Y573 HydrophobicContact CE2-CD2 3.47Å; F569-Y573 VanDerWaalsContact CE2-CD2 3.47Å; F569-Y573 AromaticContact CE2-CE2 3.6Å; F569-Y573 HydrophobicContact CE2-CE2 3.6Å; F569-Y573 HydrophobicContact CE2-CG 4.49Å; F569-Y573 AromaticContact CG-CD2 3.79Å; F569-Y573 HydrophobicContact CG-CD2 3.79Å; F569-Y573 HydrophobicContact CG-CE2 4.3Å; F569-Y573 AromaticContact CZ-CD2 3.71Å; F569-Y573 HydrophobicContact CZ-CD2 3.71Å; F569-Y573 HydrophobicContact CZ-CE2 4.26Å; F569-Y573 HydrophobicContact CZ-CG 4.37Å; F569-Y573 WeakPolarHBondContact O-CB 3.48Å; F569-Y573 WeakPolarHBondContact O-CD2 3.22Å; F569-Y573 PolarHBondContact O-N 3.12Å; Y573-P575 VanDerWaalsContact C-N 3.25Å; Y573-P575 VanDerWaalsContact O-N 3.13Å; Y573-I576 HydrophobicContact CD1-CD1 3.84Å; Y573-I576 HydrophobicContact CG-CD1 4.4Å; Y573-I576 VanDerWaalsContact O-CB 3.29Å; Y573-I576 WeakPolarHBondContact O-CB 3.47Å; Y573-I576 WeakPolarHBondContact O-CG1 3.38Å; Y573-I576 PolarHBondContact O-N 3.3Å; Y573-L604 WeakPolarHBondContact O-CD2 3.23Å; Y573-L636 WeakPolarHBondContact OH-CD1 3.45Å; Y573-L639 HydrophobicContact CD1-CB 4.2Å; Y573-L639 HydrophobicContact CE1-CB 3.82Å; Y573-L639 HydrophobicContact CE2-CD1 4.47Å; Y573-E640 PolarHBondContact OH-OE1 3.02Å
574G82.6Confident68.5Low15 Ų1574.9 Ų74.916%0.15541%0.408CS..G310 helixtrans-45.8-39.2173.500000115.2V570 I576 G577V570-G574 WeakPolarHBondContact O-CA 3.2Å; V570-G574 PolarHBondContact O-N 3.04Å; G574-I576 PolarHBondContact O-N 3.37Å; G574-G577 PolarHBondContact O-N 3.41Å
575P81.6Confident66.9Low60 Ų6081 Ų8139%0.3944%0.439SS..G310 helixtrans-58.3-27.7175.5-27.136.2000114.8Y573 V646Y573-P575 VanDerWaalsContact C-N 3.25Å; Y573-P575 VanDerWaalsContact O-N 3.13Å; P575-V646 HydrophobicContact CB-CG1 4.05Å
576I82.4Confident64.9Low21 Ų2186.3 Ų86.311%0.10847%0.465CS..G310 helixtrans-66.1-41.2179-58.1177.5000110.6Y573 G574 R578 V607 L639 R642 R643Y573-I576 HydrophobicContact CD1-CD1 3.84Å; Y573-I576 HydrophobicContact CG-CD1 4.4Å; Y573-I576 VanDerWaalsContact O-CB 3.29Å; Y573-I576 WeakPolarHBondContact O-CB 3.47Å; Y573-I576 WeakPolarHBondContact O-CG1 3.38Å; Y573-I576 PolarHBondContact O-N 3.3Å; G574-I576 PolarHBondContact O-N 3.37Å; I576-R578 PolarHBondContact O-N 3.21Å; I576-V607 HydrophobicContact CG2-CG1 4.49Å; I576-L639 HydrophobicContact CD1-CD2 4.29Å; I576-L639 WeakPolarHBondContact CD1-O 3.22Å; I576-R642 HydrophobicContact CD1-CB 4.06Å; I576-R642 HydrophobicContact CG1-CB 4.47Å; I576-R642 HydrophobicContact CG2-CB 4.37Å; I576-R643 HydrophobicContact CD1-CB 4.1Å; I576-R643 HydrophobicContact CG1-CB 4.29Å
577G70.1Confident62.8Low18 Ų1889.9 Ų89.919%0.18650%0.495CS..G310 helixtrans-81-7.1-171.200000115.8G574 C579G574-G577 PolarHBondContact O-N 3.41Å; G577-C579 PolarHBondContact O-N 3.47Å
578R63.4Low60.9Low213 Ų21390 Ų9080%0.80450%0.503SS*.THydrogen-bonded Turntrans46.629.2-163.6-62.9-175179.8173.11.8112.9I576 S580I576-R578 PolarHBondContact O-N 3.21Å; R578-S580 VanDerWaalsContact C-N 3.31Å; R578-S580 PolarHBondContact O-N 3.01Å
579C48Very low59.3Low54 Ų5493.6 Ų93.637%0.36553%0.525SS..  trans-69.698.3166.5-82.10000106G577 A581G577-C579 PolarHBondContact O-N 3.47Å; C579-A581 PolarHBondContact O-N 2.95Å; C579-A581 VanDerWaalsContact O-N 3.11Å
580S40.6Very low57.5Low101 Ų10195.5 Ų95.571%0.70655%0.545SS*.  trans-49.4122.4163.4-810000107.2R578 S582R578-S580 VanDerWaalsContact C-N 3.31Å; R578-S580 PolarHBondContact O-N 3.01Å; S580-S582 PolarHBondContact O-N 3.08Å
581A42.1Very low55.8Low105 Ų10598.5 Ų98.587%0.86857%0.573SS**  trans-66.753.9161.700000109.7C579C579-A581 PolarHBondContact O-N 2.95Å; C579-A581 VanDerWaalsContact O-N 3.11Å
582S42.1Very low54.4Low87 Ų87100.7 Ų100.761%0.60858%0.583SS**  trans-102.5113.1168.971.90000108.4S580S580-S582 PolarHBondContact O-N 3.08Å
583S41.8Very low53.3Low106 Ų10696.6 Ų96.674%0.74158%0.578SS**SBendtrans89112.5166.676.70000117.8
584R40.9Very low52.3Low229 Ų22998.6 Ų98.686%0.86460%0.595SS**  trans86.562.9155.4-50.4-176.4-169.7-1771.7118.8
585L44.8Very low51.6Low152 Ų152102.4 Ų102.480%0.79661%0.612SS**SBendtrans-94.46.4160.3-82.1164.7000113.9
586D38.8Very low51.2Low172 Ų172103.2 Ų103.292%0.9262%0.616SS**  trans-104.342.7175.3-62.9-35.9000112
587A38.5Very low50.9Low82 Ų82104.4 Ų104.468%0.67862%0.622SS**SBendtrans-111.8128.4170.700000109.6
588D40.4Very low51.3Low147 Ų147106 Ų10679%0.78663%0.625SS**  trans-41.4146.6179.2-146.425.5000113G590D588-G590 PolarHBondContact O-N 3.19Å
589P43.1Very low52Low128 Ų128102.3 Ų102.383%0.83162%0.617SS**SBendtrans-77.465-178.132.8-29.6000110.9
590G43.3Very low53.5Low42 Ų42103.4 Ų103.443%0.43362%0.616SS.*  trans-89.3162.1166.200000111.9D588 E592 G593D588-G590 PolarHBondContact O-N 3.19Å; G590-E592 PolarHBondContact O-N 3.05Å; G590-G593 PolarHBondContact O-N 3.04Å
591A48.8Very low55.5Low91 Ų9198.6 Ų98.675%0.75258%0.583SS**Hα-helixtrans-53.4-19.7-17800000115
592E50.4Low57.3Low169 Ų16997.7 Ų97.779%0.7956%0.56SS**Hα-helixtrans-71.6-29.1174.9-63.6-171.4164.500113.3G590G590-E592 PolarHBondContact O-N 3.05Å
593G56.1Low59.1Low35 Ų3599.5 Ų99.536%0.36156%0.557SS.*Hα-helixtrans-71.1-31.4-179.400000114.1G590 V596 L597G590-G593 PolarHBondContact O-N 3.04Å; G593-V596 PolarHBondContact O-N 3.05Å; G593-L597 WeakPolarHBondContact O-CG 3.43Å; G593-L597 PolarHBondContact O-N 3.35Å
594A58.4Low61Low44 Ų4494.8 Ų94.836%0.36452%0.524SS..Hα-helixtrans-67.6-40.5-179.800000112.3V596 L597 Q598A594-V596 PolarHBondContact O-N 2.81Å; A594-L597 PolarHBondContact O-N 3.43Å; A594-Q598 PolarHBondContact O-N 2.86Å
595N67.4Low62.8Low95 Ų9584.6 Ų84.651%0.50849%0.486SS..Hα-helixtrans-65.4-37.9177.4-77.3-19.9000112.3Q598 Q599N595-Q598 PolarHBondContact O-N 2.91Å; N595-Q599 WeakPolarHBondContact O-CG 3.2Å; N595-Q599 PolarHBondContact O-N 2.79Å; N595-Q599 VanDerWaalsContact O-N 3.12Å
596V74.8Confident64.4Low77 Ų7784.3 Ų84.347%0.46748%0.475SS..Hα-helixtrans-65.2-42.4176.1176.60000110.9G593 A594 Q599 Q600G593-V596 PolarHBondContact O-N 3.05Å; A594-V596 PolarHBondContact O-N 2.81Å; V596-Q599 PolarHBondContact O-N 3.49Å; V596-Q600 WeakPolarHBondContact O-CG 3.35Å; V596-Q600 PolarHBondContact O-N 3.17Å
597L75.8Confident66.2Low45 Ų4579.8 Ų79.824%0.23645%0.453CS..Hα-helixtrans-64.3-43.4177.2-72.8170.5000111.9L566 V570 G593 A594 Q599 Q600 V601L566-L597 HydrophobicContact CB-CB 4.31Å; V570-L597 HydrophobicContact CG2-CD2 4.35Å; G593-L597 WeakPolarHBondContact O-CG 3.43Å; G593-L597 PolarHBondContact O-N 3.35Å; A594-L597 PolarHBondContact O-N 3.43Å; L597-Q599 VanDerWaalsContact C-N 3.34Å; L597-Q599 PolarHBondContact O-N 2.89Å; L597-Q600 PolarHBondContact O-N 2.89Å; L597-V601 WeakPolarHBondContact O-CG2 3.49Å; L597-V601 PolarHBondContact O-N 2.98Å
598Q77.5Confident67.9Low51 Ų5176 Ų7624%0.23842%0.422CS..Hα-helixtrans-58.5-44.4174.9-80.3-177.3-2800112.2L566 A594 N595 Q600 V601 E602 G625L566-Q598 HydrophobicContact CD1-CG 3.63Å; L566-Q598 HydrophobicContact CD2-CG 4.23Å; A594-Q598 PolarHBondContact O-N 2.86Å; N595-Q598 PolarHBondContact O-N 2.91Å; Q598-Q600 VanDerWaalsContact C-N 3.32Å; Q598-Q600 PolarHBondContact O-N 2.89Å; Q598-V601 PolarHBondContact O-N 3.42Å; Q598-E602 PolarHBondContact O-N 2.79Å; Q598-G625 PolarHBondContact NE2-O 3.42Å
599Q78.7Confident69.4Low136 Ų13669.9 Ų69.964%0.63639%0.389SS*.Hα-helixtrans-62.7-37.8176.8-71.4176.78.500112.6N595 V596 L597 K603N595-Q599 WeakPolarHBondContact O-CG 3.2Å; N595-Q599 PolarHBondContact O-N 2.79Å; N595-Q599 VanDerWaalsContact O-N 3.12Å; V596-Q599 PolarHBondContact O-N 3.49Å; L597-Q599 VanDerWaalsContact C-N 3.34Å; L597-Q599 PolarHBondContact O-N 2.89Å; Q599-K603 WeakPolarHBondContact O-CB 3.44Å; Q599-K603 PolarHBondContact O-N 2.9Å
600Q79.6Confident70.4Confident77 Ų7770 Ų7036%0.3638%0.379SS..Hα-helixtrans-66.4-41.8175.2-73.2-176.5-3.800112.2V570 V596 L597 Q598 K603 L604V570-Q600 HydrophobicContact CG2-CB 4.27Å; V596-Q600 WeakPolarHBondContact O-CG 3.35Å; V596-Q600 PolarHBondContact O-N 3.17Å; L597-Q600 PolarHBondContact O-N 2.89Å; Q598-Q600 VanDerWaalsContact C-N 3.32Å; Q598-Q600 PolarHBondContact O-N 2.89Å; Q600-K603 PolarHBondContact O-N 3.33Å; Q600-L604 WeakPolarHBondContact O-CG 3.32Å; Q600-L604 PolarHBondContact O-N 2.89Å
601V81.6Confident70.9Confident0 Ų076.4 Ų76.40%040%0.397CS..Hα-helixtrans-61.6-48174.9169.20000110.7L566 F569 V570 L597 Q598 K603 L604 L605 V629L566-V601 HydrophobicContact CD2-CB 4.15Å; L566-V601 HydrophobicContact CD2-CG1 4.33Å; L566-V601 HydrophobicContact CD2-CG2 3.64Å; F569-V601 HydrophobicContact CD1-CB 4.4Å; F569-V601 HydrophobicContact CD1-CG1 4.06Å; F569-V601 HydrophobicContact CD1-CG2 3.77Å; F569-V601 HydrophobicContact CE1-CG1 4Å; F569-V601 HydrophobicContact CE1-CG2 4.4Å; F569-V601 HydrophobicContact CG-CG2 4.46Å; V570-V601 HydrophobicContact CG2-CG2 3.58Å; L597-V601 WeakPolarHBondContact O-CG2 3.49Å; L597-V601 PolarHBondContact O-N 2.98Å; Q598-V601 PolarHBondContact O-N 3.42Å; V601-K603 VanDerWaalsContact C-N 3.29Å; V601-K603 PolarHBondContact O-N 3.27Å; V601-L604 WeakPolarHBondContact O-CB 3.37Å; V601-L604 PolarHBondContact O-N 2.87Å; V601-L604 VanDerWaalsContact O-N 3.14Å; V601-L605 HydrophobicContact CG1-CD1 3.78Å; V601-L605 HydrophobicContact CG1-CG 4.25Å; V601-L605 VanDerWaalsContact O-CG 3.3Å; V601-L605 WeakPolarHBondContact O-CG 3.36Å; V601-L605 PolarHBondContact O-N 3.05Å; V601-V629 HydrophobicContact CG1-CG1 4.39Å; V601-V629 HydrophobicContact CG1-CG2 3.55Å; V601-V629 HydrophobicContact CG2-CG2 4.27Å
602E79.9Confident70.9Confident86 Ų8679.3 Ų79.340%0.40240%0.4SS..Hα-helixtrans-58-42.3176.2-80.5-163.9-169.200112.3Q598 L604 L605 R606Q598-E602 PolarHBondContact O-N 2.79Å; E602-L604 VanDerWaalsContact C-N 3.35Å; E602-L605 PolarHBondContact O-N 3.24Å; E602-R606 VanDerWaalsContact O-CG 3.29Å; E602-R606 WeakPolarHBondContact O-CG 3.38Å; E602-R606 PolarHBondContact O-N 2.85Å; E602-R606 IonicContact OE2-CZ 3.22Å; E602-R606 IonicContact OE2-NH2 2.84Å; E602-R606 PolarHBondContact OE2-NH2 2.77Å
603K80.4Confident71.2Confident125 Ų12572.5 Ų72.554%0.54337%0.372SS..Hα-helixtrans-62.7-42.8177.2-171.5179.6179.9-177.80111.4Q599 Q600 V601 R606 V607Q599-K603 WeakPolarHBondContact O-CB 3.44Å; Q599-K603 PolarHBondContact O-N 2.9Å; Q600-K603 PolarHBondContact O-N 3.33Å; V601-K603 VanDerWaalsContact C-N 3.29Å; V601-K603 PolarHBondContact O-N 3.27Å; K603-R606 PolarHBondContact O-N 3.28Å; K603-V607 WeakPolarHBondContact O-CG2 3.44Å; K603-V607 PolarHBondContact O-N 3.39Å; K603-V607 VanDerWaalsContact O-N 3.12Å
604L81.9Confident71.3Confident8 Ų873.6 Ų73.64%0.04237%0.374CS..Hα-helixtrans-61.6-46.3175.2-79.2166.4000111.7F569 V570 Y573 Q600 V601 E602 R606 V607 A608F569-L604 HydrophobicContact CD1-CD1 4.49Å; F569-L604 HydrophobicContact CE1-CB 4.35Å; F569-L604 HydrophobicContact CE1-CD1 4.31Å; V570-L604 HydrophobicContact CG2-CD1 4.38Å; Y573-L604 WeakPolarHBondContact O-CD2 3.23Å; Q600-L604 WeakPolarHBondContact O-CG 3.32Å; Q600-L604 PolarHBondContact O-N 2.89Å; V601-L604 WeakPolarHBondContact O-CB 3.37Å; V601-L604 PolarHBondContact O-N 2.87Å; V601-L604 VanDerWaalsContact O-N 3.14Å; E602-L604 VanDerWaalsContact C-N 3.35Å; L604-R606 VanDerWaalsContact C-N 3.32Å; L604-R606 PolarHBondContact O-N 3.29Å; L604-V607 PolarHBondContact O-N 3.16Å; L604-V607 VanDerWaalsContact O-N 3.09Å; L604-A608 PolarHBondContact O-N 2.98Å
605L79.8Confident71.3Confident14 Ų1481.7 Ų81.77%0.07340%0.395CS..Hα-helixtrans-61.9-39.7178.3-68.6169.8000111.5F569 V601 E602 V607 A608 L609 V622 C624 M635F569-L605 HydrophobicContact CZ-CD2 3.85Å; F569-L605 HydrophobicContact CZ-CG 4.36Å; V601-L605 HydrophobicContact CG1-CD1 3.78Å; V601-L605 HydrophobicContact CG1-CG 4.25Å; V601-L605 VanDerWaalsContact O-CG 3.3Å; V601-L605 WeakPolarHBondContact O-CG 3.36Å; V601-L605 PolarHBondContact O-N 3.05Å; E602-L605 PolarHBondContact O-N 3.24Å; L605-V607 VanDerWaalsContact C-N 3.3Å; L605-V607 PolarHBondContact O-N 3.03Å; L605-A608 PolarHBondContact O-N 3.1Å; L605-L609 WeakPolarHBondContact O-CB 3.44Å; L605-L609 PolarHBondContact O-N 3.42Å; L605-V622 HydrophobicContact CD1-CG1 3.77Å; L605-V622 HydrophobicContact CD2-CG1 4.25Å; L605-V622 HydrophobicContact CD2-CG2 4.35Å; L605-C624 VanDerWaalsContact CD1-SG 3.56Å; L605-M635 HydrophobicContact CD2-CE 3.46Å; L605-M635 VanDerWaalsContact CD2-CE 3.46Å
606R77.3Confident70.8Confident147 Ų14783 Ų8356%0.55540%0.402SS*.Hα-helixtrans-65.4-28.6173.8-71.4177.2-156.8179.38.7113.7E602 K603 L604E602-R606 VanDerWaalsContact O-CG 3.29Å; E602-R606 WeakPolarHBondContact O-CG 3.38Å; E602-R606 PolarHBondContact O-N 2.85Å; E602-R606 IonicContact OE2-CZ 3.22Å; E602-R606 IonicContact OE2-NH2 2.84Å; E602-R606 PolarHBondContact OE2-NH2 2.77Å; K603-R606 PolarHBondContact O-N 3.28Å; L604-R606 VanDerWaalsContact C-N 3.32Å; L604-R606 PolarHBondContact O-N 3.29Å
607V76.3Confident70.3Confident76 Ų7684.6 Ų84.646%0.46141%0.405SS..Hα-helixtrans-79.2-36.6175.4172.50000110.8I576 K603 L604 L605I576-V607 HydrophobicContact CG2-CG1 4.49Å; K603-V607 WeakPolarHBondContact O-CG2 3.44Å; K603-V607 PolarHBondContact O-N 3.39Å; K603-V607 VanDerWaalsContact O-N 3.12Å; L604-V607 PolarHBondContact O-N 3.16Å; L604-V607 VanDerWaalsContact O-N 3.09Å; L605-V607 VanDerWaalsContact C-N 3.3Å; L605-V607 PolarHBondContact O-N 3.03Å
608A73.5Confident69.7Low2 Ų285.8 Ų85.82%0.01741%0.406CS..Hα-helixtrans-71.3-47.6178.900000112.4L604 L605 Q610 L639L604-A608 PolarHBondContact O-N 2.98Å; L605-A608 PolarHBondContact O-N 3.1Å; A608-Q610 PolarHBondContact O-N 3.16Å; A608-L639 HydrophobicContact CB-CD2 3.57Å
609L72.3Confident69.1Low19 Ų1992.2 Ų92.210%0.09943%0.428CS..SBendtrans-83.596.3171.9-67158.5000107.4L605 R618 M635 L638L605-L609 WeakPolarHBondContact O-CB 3.44Å; L605-L609 PolarHBondContact O-N 3.42Å; L609-R618 HydrophobicContact CD1-CG 4.15Å; L609-M635 HydrophobicContact CD1-CE 3.65Å; L609-M635 HydrophobicContact CD1-SD 4.12Å; L609-M635 HydrophobicContact CD2-CE 4.22Å; L609-M635 HydrophobicContact CD2-SD 3.81Å; L609-M635 HydrophobicContact CG-CE 3.71Å; L609-M635 HydrophobicContact CG-SD 4Å; L609-L638 HydrophobicContact CD2-CD2 3.91Å
610Q65.1Low68.8Low132 Ų13289.7 Ų89.762%0.61743%0.426SS*.  trans-43.1147.1176.3-65.6174.3-21.600111A608 N612 A613A608-Q610 PolarHBondContact O-N 3.16Å; Q610-N612 PolarHBondContact O-N 2.89Å; Q610-A613 PolarHBondContact O-N 3.12Å
611H53.4Low68.6Low175 Ų17588.6 Ų88.681%0.8142%0.422SS*.THydrogen-bonded Turntrans-45.7-11-167.2-103.6-80.6000117.9
612N47.8Very low68.6Low153 Ų15389.3 Ų89.382%0.81843%0.426SS*.THydrogen-bonded Turntrans-100.1-5.9-168.4-62.9-4.2000116Q610 S614Q610-N612 PolarHBondContact O-N 2.89Å; N612-S614 PolarHBondContact O-N 2.85Å
613A57.2Low68.8Low26 Ų2687.6 Ų87.622%0.21542%0.418CS..  trans-70.6129.4176.900000111Q610 R618Q610-A613 PolarHBondContact O-N 3.12Å; A613-R618 HydrophobicContact CB-CG 4.12Å; A613-R618 PolarHBondContact O-NE 3.16Å; A613-R618 PolarHBondContact O-NH2 3.08Å
614S59.4Low69Low57 Ų5783.7 Ų83.740%0.39941%0.406SS..  trans-62.5155.1179670000111.6N612 D616 E617 R618N612-S614 PolarHBondContact O-N 2.85Å; S614-D616 PolarHBondContact O-N 3.04Å; S614-E617 PolarHBondContact N-OE2 3.1Å; S614-E617 VanDerWaalsContact N-OE2 3.12Å; S614-E617 PolarHBondContact O-N 3.29Å; S614-E617 WeakPolarHBondContact OG-CB 3.11Å; S614-E617 WeakPolarHBondContact OG-CG 3.48Å; S614-E617 PolarHBondContact OG-N 3.38Å; S614-E617 PolarHBondContact OG-OE2 3.06Å; S614-R618 WeakPolarHBondContact O-CG 3.26Å; S614-R618 PolarHBondContact O-N 3.16Å
615R58.3Low69.2Low214 Ų21483.3 Ų83.381%0.80840%0.404SS*.Hα-helixtrans-60.9-32-177-108.4-177.2171.2-172.5-2.7112.8R619R615-R619 PolarHBondContact O-N 2.98Å
616D57.2Low69.4Low123 Ų12388.6 Ų88.666%0.65843%0.427SS*.Hα-helixtrans-78.8-39-178.4-66.2-30.7000112.5S614 R618 R619 S620S614-D616 PolarHBondContact O-N 3.04Å; D616-R618 VanDerWaalsContact C-N 3.25Å; D616-R618 PolarHBondContact O-N 2.85Å; D616-R619 PolarHBondContact O-N 3.45Å; D616-S620 PolarHBondContact O-N 3.15Å; D616-S620 VanDerWaalsContact O-N 3.08Å
617E62.4Low69.7Low111 Ų11185.4 Ų85.452%0.51942%0.423SS..Hα-helixtrans-60.4-36.4171.4-74.3167.6151.800111.6S614 S620 L621S614-E617 PolarHBondContact N-OE2 3.1Å; S614-E617 VanDerWaalsContact N-OE2 3.12Å; S614-E617 PolarHBondContact O-N 3.29Å; S614-E617 WeakPolarHBondContact OG-CB 3.11Å; S614-E617 WeakPolarHBondContact OG-CG 3.48Å; S614-E617 PolarHBondContact OG-N 3.38Å; S614-E617 PolarHBondContact OG-OE2 3.06Å; E617-S620 PolarHBondContact O-N 2.92Å; E617-L621 WeakPolarHBondContact O-CB 3.35Å; E617-L621 VanDerWaalsContact O-CG 3.25Å; E617-L621 WeakPolarHBondContact O-CG 3.42Å; E617-L621 PolarHBondContact O-N 3.35Å; E617-L621 VanDerWaalsContact O-N 3.11Å
618R64.8Low70.1Confident70 Ų7084.6 Ų84.626%0.26441%0.414SS..Hα-helixtrans-66.8-40.2177.2-66.9-173.5-158.8-173.61.8112.8L609 A613 S614 D616 S620 L621 V622L609-R618 HydrophobicContact CD1-CG 4.15Å; A613-R618 HydrophobicContact CB-CG 4.12Å; A613-R618 PolarHBondContact O-NE 3.16Å; A613-R618 PolarHBondContact O-NH2 3.08Å; S614-R618 WeakPolarHBondContact O-CG 3.26Å; S614-R618 PolarHBondContact O-N 3.16Å; D616-R618 VanDerWaalsContact C-N 3.25Å; D616-R618 PolarHBondContact O-N 2.85Å; R618-S620 VanDerWaalsContact C-N 3.33Å; R618-L621 PolarHBondContact O-N 3.08Å; R618-V622 PolarHBondContact O-N 3.49Å; R618-V622 VanDerWaalsContact O-O 3.09Å
619R64.3Low70.7Confident186 Ų18684.5 Ų84.570%0.70241%0.413SS*.Hα-helixtrans-69.7-31.4178.4-77.1-179.8169.2-175-6.4112.4R615 D616R615-R619 PolarHBondContact O-N 2.98Å; D616-R619 PolarHBondContact O-N 3.45Å
620S71.5Confident71.3Confident83 Ų8383.6 Ų83.658%0.5841%0.408SS*.Hα-helixtrans-72.1-33.5174.1177.90000112.5F560 D616 E617 R618 T632F560-S620 WeakPolarHBondContact CE1-O 3.08Å; D616-S620 PolarHBondContact O-N 3.15Å; D616-S620 VanDerWaalsContact O-N 3.08Å; E617-S620 PolarHBondContact O-N 2.92Å; R618-S620 VanDerWaalsContact C-N 3.33Å; S620-T632 WeakPolarHBondContact O-CG2 3.32Å
621L75.6Confident72.1Confident53 Ų5377.3 Ų77.328%0.27738%0.379SS..Hα-helixtrans-88-31.4-176.8-68.6170.9000114E617 R618 T632 M635E617-L621 WeakPolarHBondContact O-CB 3.35Å; E617-L621 VanDerWaalsContact O-CG 3.25Å; E617-L621 WeakPolarHBondContact O-CG 3.42Å; E617-L621 PolarHBondContact O-N 3.35Å; E617-L621 VanDerWaalsContact O-N 3.11Å; R618-L621 PolarHBondContact O-N 3.08Å; L621-T632 WeakPolarHBondContact CD2-OG1 3.41Å; L621-T632 PolarHBondContact O-N 2.85Å; L621-T632 PolarHBondContact O-OG1 3.3Å; L621-M635 HydrophobicContact CB-CB 4.44Å
622V83.1Confident73.5Confident15 Ų1570.2 Ų70.29%0.09135%0.348CS..EExtended strand (participates in β ladder)trans-143.9137.9-175.6-179.50000111.9L605 R618 V629 F630 L631 M635L605-V622 HydrophobicContact CD1-CG1 3.77Å; L605-V622 HydrophobicContact CD2-CG1 4.25Å; L605-V622 HydrophobicContact CD2-CG2 4.35Å; R618-V622 PolarHBondContact O-N 3.49Å; R618-V622 VanDerWaalsContact O-O 3.09Å; V622-V629 HydrophobicContact CG1-CG1 3.96Å; V622-F630 WeakPolarHBondContact CA-O 3.14Å; V622-L631 HydrophobicContact CB-CD2 4.26Å; V622-L631 HydrophobicContact CG1-CD2 3.82Å; V622-L631 HydrophobicContact CG2-CD2 3.58Å; V622-M635 HydrophobicContact CG2-CB 4.09Å; V622-M635 HydrophobicContact CG2-CE 3.86Å; V622-M635 HydrophobicContact CG2-CG 3.36Å; V622-M635 HydrophobicContact CG2-SD 3.92Å
623H84.4Confident74.8Confident51 Ų5166.3 Ų66.324%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-123.4130.5166-175.492.7000110.9L368 F560 F630L368-H623 WeakPolarHBondContact CD1-CD2 3.37Å; L368-H623 WeakPolarHBondContact CD1-NE2 3.49Å; L368-H623 WeakPolarHBondContact CG-CD2 3.16Å; F560-H623 HydrophobicContact CD2-CB 4.26Å; F560-H623 HydrophobicContact CE1-CB 4.41Å; F560-H623 HydrophobicContact CE2-CB 3.74Å; F560-H623 HydrophobicContact CZ-CB 3.83Å; H623-F630 HydrophobicContact CB-CB 4.08Å; H623-F630 PolarHBondContact N-O 3.47Å; H623-F630 WeakPolarHBondContact O-CB 3.49Å; H623-F630 PolarHBondContact O-N 3.31Å
624C84.2Confident75.9Confident42 Ų4269.1 Ų69.128%0.28434%0.341SS..EExtended strand (participates in β ladder)trans-98.1104.8174.1-69.30000108.7L605L605-C624 VanDerWaalsContact CD1-SG 3.56Å
625G84.8Confident77Confident1 Ų166.5 Ų66.51%0.0132%0.322CS..  trans-78.2-174.9172.900000112.3E366 Q598 K628E366-G625 WeakPolarHBondContact O-CA 3.36Å; E366-G625 VanDerWaalsContact OE2-C 3.3Å; E366-G625 WeakPolarHBondContact OE2-CA 3.37Å; Q598-G625 PolarHBondContact NE2-O 3.42Å; G625-K628 WeakPolarHBondContact CA-O 3.28Å; G625-K628 PolarHBondContact N-O 3.26Å
626K84.3Confident78Confident125 Ų12557.4 Ų57.454%0.54329%0.29SS..SBendtrans-64.9-43.3178.1-65.6176.1-170.91560112.7S365 E366 L566S365-K626 PolarHBondContact O-NZ 3.14Å; E366-K626 PolarHBondContact O-N 3.43Å; E366-K626 PolarHBondContact OE2-N 2.9Å; L566-K626 WeakPolarHBondContact CD1-O 3.29Å
627T82.9Confident78.9Confident79 Ų7954.8 Ų54.849%0.48528%0.276SS..SBendtrans-119.7-17.6-17680.10000113.7E366 L566E366-T627 WeakPolarHBondContact OE1-CB 3.35Å; E366-T627 PolarHBondContact OE1-N 2.73Å; E366-T627 PolarHBondContact OE1-OG1 3.37Å; E366-T627 PolarHBondContact OE2-N 3.06Å; L566-T627 VanDerWaalsContact CG-O 3.28Å; L566-T627 WeakPolarHBondContact CG-O 3.17Å; L566-T627 PolarHBondContact N-O 2.94Å
628K85.5Confident79.9Confident60 Ų6052.2 Ų52.226%0.26127%0.265SS..EExtended strand (participates in β ladder)trans-132.3156.7-175.7-58.8-179.1-173.51750113.1E362 E366 I564 G625 F630E362-K628 WeakPolarHBondContact OE1-CD 3.39Å; E362-K628 WeakPolarHBondContact OE1-CE 3.45Å; E362-K628 IonicContact OE1-NZ 2.66Å; E362-K628 PolarHBondContact OE1-NZ 2.78Å; E366-K628 PolarHBondContact OE2-N 3.22Å; I564-K628 CarbonylContact O-C 3.52Å; I564-K628 WeakPolarHBondContact O-CA 3.38Å; G625-K628 WeakPolarHBondContact CA-O 3.28Å; G625-K628 PolarHBondContact N-O 3.26Å; K628-F630 HydrophobicContact CB-CE2 3.96Å; K628-F630 HydrophobicContact CB-CZ 4.3Å
629V85.8Confident80.7Confident0 Ų049 Ų490%025%0.253CS..EExtended strand (participates in β ladder)trans-100.2127.8168.3-165.70000108.6R563 I564 L566 F569 V601 V622 L631R563-V629 WeakPolarHBondContact CA-O 3.32Å; I564-V629 PolarHBondContact N-O 2.78Å; I564-V629 PolarHBondContact O-N 3.36Å; L566-V629 HydrophobicContact CD2-CG2 3.67Å; F569-V629 HydrophobicContact CB-CG2 4.12Å; F569-V629 HydrophobicContact CD1-CG2 4.41Å; F569-V629 HydrophobicContact CD2-CB 4.06Å; F569-V629 HydrophobicContact CD2-CG1 4.31Å; F569-V629 HydrophobicContact CD2-CG2 3.96Å; F569-V629 HydrophobicContact CE2-CB 4.45Å; F569-V629 HydrophobicContact CE2-CG1 4.2Å; F569-V629 HydrophobicContact CG-CB 4.49Å; F569-V629 HydrophobicContact CG-CG2 3.9Å; V601-V629 HydrophobicContact CG1-CG1 4.39Å; V601-V629 HydrophobicContact CG1-CG2 3.55Å; V601-V629 HydrophobicContact CG2-CG2 4.27Å; V622-V629 HydrophobicContact CG1-CG1 3.96Å; V629-L631 HydrophobicContact CG1-CD2 3.73Å; V629-L631 HydrophobicContact CG1-CG 4.17Å
630F85.7Confident81.4Confident0 Ų041.5 Ų41.50%023%0.226CC..EExtended strand (participates in β ladder)trans-105.1123.6179.3-68.6-92.3000108.8E362 Y363 E366 L368 F560 I562 R563 V622 H623 K628E362-F630 HydrophobicContact CG-CZ 4.25Å; Y363-F630 HydrophobicContact CD1-CD1 4.05Å; Y363-F630 AromaticContact CD1-CE1 3.58Å; Y363-F630 HydrophobicContact CD1-CE1 3.58Å; Y363-F630 HydrophobicContact CD1-CZ 4.3Å; Y363-F630 AromaticContact CE1-CD1 3.75Å; Y363-F630 HydrophobicContact CE1-CD1 3.75Å; Y363-F630 AromaticContact CE1-CE1 3.54Å; Y363-F630 HydrophobicContact CE1-CE1 3.54Å; E366-F630 HydrophobicContact CB-CE2 3.7Å; E366-F630 HydrophobicContact CB-CZ 3.92Å; E366-F630 HydrophobicContact CG-CE2 3.81Å; E366-F630 HydrophobicContact CG-CZ 3.76Å; L368-F630 HydrophobicContact CD1-CD2 3.98Å; L368-F630 HydrophobicContact CD1-CE2 3.89Å; L368-F630 HydrophobicContact CD1-CG 4.4Å; L368-F630 HydrophobicContact CD1-CZ 4.23Å; F560-F630 HydrophobicContact CB-CB 3.63Å; F560-F630 HydrophobicContact CB-CD1 4.16Å; F560-F630 HydrophobicContact CB-CG 4.39Å; F560-F630 HydrophobicContact CD1-CB 4.4Å; F560-F630 HydrophobicContact CD2-CB 4.07Å; F560-F630 HydrophobicContact CG-CB 3.79Å; I562-F630 CarbonylContact O-C 3.57Å; I562-F630 WeakPolarHBondContact O-CA 3.44Å; R563-F630 HydrophobicContact CG-CD1 3.56Å; R563-F630 HydrophobicContact CG-CE1 3.54Å; V622-F630 WeakPolarHBondContact CA-O 3.14Å; H623-F630 HydrophobicContact CB-CB 4.08Å; H623-F630 PolarHBondContact N-O 3.47Å; H623-F630 WeakPolarHBondContact O-CB 3.49Å; H623-F630 PolarHBondContact O-N 3.31Å; K628-F630 HydrophobicContact CB-CE2 3.96Å; K628-F630 HydrophobicContact CB-CZ 4.3Å
631L82Confident81.8Confident0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-127.2146.1-172.2-54.1168.5000110.4I562 I564 F569 V622 V629 M635 L639I562-L631 HydrophobicContact CB-CB 4.07Å; I562-L631 WeakPolarHBondContact CB-O 3.02Å; I562-L631 HydrophobicContact CG2-CB 4.11Å; I562-L631 HydrophobicContact CG2-CD1 4.09Å; I562-L631 PolarHBondContact N-O 3.43Å; I562-L631 PolarHBondContact O-N 2.9Å; I564-L631 HydrophobicContact CD1-CD1 3.84Å; F569-L631 HydrophobicContact CE2-CD1 4.06Å; F569-L631 HydrophobicContact CE2-CD2 4.47Å; V622-L631 HydrophobicContact CB-CD2 4.26Å; V622-L631 HydrophobicContact CG1-CD2 3.82Å; V622-L631 HydrophobicContact CG2-CD2 3.58Å; V629-L631 HydrophobicContact CG1-CD2 3.73Å; V629-L631 HydrophobicContact CG1-CG 4.17Å; L631-M635 HydrophobicContact CD2-CG 3.96Å; L631-L639 HydrophobicContact CD1-CD1 4.02Å; L631-L639 HydrophobicContact CD2-CD1 4.29Å
632T82.1Confident82.1Confident25 Ų2542.3 Ų42.315%0.15322%0.218CC..  trans-82.3158.7162.757.30000110.5F560 S620 L621 M635 L636F560-T632 HydrophobicContact CD1-CG2 3.81Å; F560-T632 HydrophobicContact CE1-CG2 3.95Å; S620-T632 WeakPolarHBondContact O-CG2 3.32Å; L621-T632 WeakPolarHBondContact CD2-OG1 3.41Å; L621-T632 PolarHBondContact O-N 2.85Å; L621-T632 PolarHBondContact O-OG1 3.3Å; T632-M635 PolarHBondContact O-N 3.2Å; T632-L636 PolarHBondContact O-N 3.04Å; T632-L636 VanDerWaalsContact O-N 3.15Å
633Q75.5Confident82.1Confident72 Ų7244.4 Ų44.434%0.33622%0.224SC..Hα-helixtrans-54.6-46.9177.8-168.371.629.900112.9I562 M635 L636 D637I562-Q633 HydrophobicContact CD1-CB 4.44Å; Q633-M635 PolarHBondContact O-N 3.29Å; Q633-L636 WeakPolarHBondContact O-CB 3.29Å; Q633-L636 PolarHBondContact O-N 3.13Å; Q633-D637 PolarHBondContact NE2-OD1 2.78Å; Q633-D637 VanDerWaalsContact O-CG 3.28Å; Q633-D637 PolarHBondContact O-N 2.9Å
634P80.9Confident81.9Confident84 Ų8443.4 Ų43.455%0.54523%0.228SC..Hα-helixtrans-60.9-32.9179.6-23.535.3000113.5L638P634-L638 PolarHBondContact O-N 2.66Å
635M82.1Confident82Confident2 Ų247 Ų471%0.0124%0.239CC..Hα-helixtrans-70.6-40.6176.1-177.166.5177.800112L605 L609 L621 V622 L631 T632 Q633 D637 L638 L639L605-M635 HydrophobicContact CD2-CE 3.46Å; L605-M635 VanDerWaalsContact CD2-CE 3.46Å; L609-M635 HydrophobicContact CD1-CE 3.65Å; L609-M635 HydrophobicContact CD1-SD 4.12Å; L609-M635 HydrophobicContact CD2-CE 4.22Å; L609-M635 HydrophobicContact CD2-SD 3.81Å; L609-M635 HydrophobicContact CG-CE 3.71Å; L609-M635 HydrophobicContact CG-SD 4Å; L621-M635 HydrophobicContact CB-CB 4.44Å; V622-M635 HydrophobicContact CG2-CB 4.09Å; V622-M635 HydrophobicContact CG2-CE 3.86Å; V622-M635 HydrophobicContact CG2-CG 3.36Å; V622-M635 HydrophobicContact CG2-SD 3.92Å; L631-M635 HydrophobicContact CD2-CG 3.96Å; T632-M635 PolarHBondContact O-N 3.2Å; Q633-M635 PolarHBondContact O-N 3.29Å; M635-D637 VanDerWaalsContact C-N 3.31Å; M635-L638 PolarHBondContact O-N 2.94Å; M635-L638 HydrophobicContact SD-CD2 4.15Å; M635-L639 HydrophobicContact CE-CD1 4.16Å; M635-L639 HydrophobicContact CE-CD2 4.18Å; M635-L639 HydrophobicContact CE-CG 4.05Å; M635-L639 HydrophobicContact CG-CD1 4.26Å; M635-L639 WeakPolarHBondContact O-CG 3.47Å; M635-L639 PolarHBondContact O-N 3.27Å
636L79.5Confident82.1Confident24 Ų2449.1 Ų49.113%0.12625%0.251CS..Hα-helixtrans-61.5-43.9176.5177.467.3000110.9I562 Y573 T632 Q633 L638 L639 E640I562-L636 HydrophobicContact CD1-CB 3.69Å; I562-L636 HydrophobicContact CD1-CD2 3.49Å; I562-L636 VanDerWaalsContact CD1-CD2 3.49Å; I562-L636 HydrophobicContact CD1-CG 4.19Å; I562-L636 HydrophobicContact CG1-CD2 4.05Å; I562-L636 HydrophobicContact CG2-CD2 4.31Å; Y573-L636 WeakPolarHBondContact OH-CD1 3.45Å; T632-L636 PolarHBondContact O-N 3.04Å; T632-L636 VanDerWaalsContact O-N 3.15Å; Q633-L636 WeakPolarHBondContact O-CB 3.29Å; Q633-L636 PolarHBondContact O-N 3.13Å; L636-L638 VanDerWaalsContact C-N 3.3Å; L636-L638 PolarHBondContact O-N 3.3Å; L636-L639 PolarHBondContact O-N 2.93Å; L636-L639 VanDerWaalsContact O-N 3.1Å; L636-E640 HydrophobicContact CD1-CG 4.22Å; L636-E640 HydrophobicContact CG-CG 4.48Å; L636-E640 PolarHBondContact O-N 3.4Å
637D75.5Confident82.1Confident68 Ų6846.6 Ų46.636%0.36424%0.243SC..Hα-helixtrans-60.5-42178.7-60.3-22.6000110.9Q633 M635 L639 E640 D641Q633-D637 PolarHBondContact NE2-OD1 2.78Å; Q633-D637 VanDerWaalsContact O-CG 3.28Å; Q633-D637 PolarHBondContact O-N 2.9Å; M635-D637 VanDerWaalsContact C-N 3.31Å; D637-L639 PolarHBondContact O-N 3.1Å; D637-E640 PolarHBondContact O-N 2.81Å; D637-D641 WeakPolarHBondContact O-CB 3.47Å; D637-D641 PolarHBondContact O-N 3.28Å
638L82.8Confident82.3Confident57 Ų5746.5 Ų46.530%0.29825%0.246SC..Hα-helixtrans-61-43.3173.8-178.966.7000112.3L609 P634 M635 L636 R642L609-L638 HydrophobicContact CD2-CD2 3.91Å; P634-L638 PolarHBondContact O-N 2.66Å; M635-L638 PolarHBondContact O-N 2.94Å; M635-L638 HydrophobicContact SD-CD2 4.15Å; L636-L638 VanDerWaalsContact C-N 3.3Å; L636-L638 PolarHBondContact O-N 3.3Å; L638-R642 WeakPolarHBondContact O-CB 3.48Å; L638-R642 VanDerWaalsContact O-CG 3.24Å; L638-R642 WeakPolarHBondContact O-CG 3.42Å; L638-R642 PolarHBondContact O-N 2.96Å; L638-R642 VanDerWaalsContact O-N 3.16Å
639L81.4Confident82.5Confident2 Ų252.1 Ų52.11%0.0127%0.266CS..Hα-helixtrans-66.7-42.9178.8-74170.8000111.9F569 Y573 I576 A608 L631 M635 L636 D637 R643F569-L639 HydrophobicContact CE2-CD1 3.84Å; F569-L639 HydrophobicContact CZ-CD1 3.93Å; Y573-L639 HydrophobicContact CD1-CB 4.2Å; Y573-L639 HydrophobicContact CE1-CB 3.82Å; Y573-L639 HydrophobicContact CE2-CD1 4.47Å; I576-L639 HydrophobicContact CD1-CD2 4.29Å; I576-L639 WeakPolarHBondContact CD1-O 3.22Å; A608-L639 HydrophobicContact CB-CD2 3.57Å; L631-L639 HydrophobicContact CD1-CD1 4.02Å; L631-L639 HydrophobicContact CD2-CD1 4.29Å; M635-L639 HydrophobicContact CE-CD1 4.16Å; M635-L639 HydrophobicContact CE-CD2 4.18Å; M635-L639 HydrophobicContact CE-CG 4.05Å; M635-L639 HydrophobicContact CG-CD1 4.26Å; M635-L639 WeakPolarHBondContact O-CG 3.47Å; M635-L639 PolarHBondContact O-N 3.27Å; L636-L639 PolarHBondContact O-N 2.93Å; L636-L639 VanDerWaalsContact O-N 3.1Å; D637-L639 PolarHBondContact O-N 3.1Å; L639-R643 VanDerWaalsContact O-CB 3.29Å; L639-R643 WeakPolarHBondContact O-CB 3.44Å; L639-R643 PolarHBondContact O-N 2.94Å
640E80.4Confident82.6Confident29 Ų2955.3 Ų55.314%0.13629%0.287CS..Hα-helixtrans-70.6-38.4178.9-74.5-63.716700112.4R572 Y573 L636 D637 R642 R643 G644R572-E640 IonicContact CZ-OE1 2.71Å; R572-E640 IonicContact NE-OE1 3.49Å; R572-E640 PolarHBondContact NE-OE1 3.32Å; R572-E640 IonicContact NH2-OE1 3.96Å; R572-E640 PolarHBondContact NH2-OE1 2.91Å; R572-E640 IonicContact NH2-OE2 2.93Å; Y573-E640 PolarHBondContact OH-OE1 3.02Å; L636-E640 HydrophobicContact CD1-CG 4.22Å; L636-E640 HydrophobicContact CG-CG 4.48Å; L636-E640 PolarHBondContact O-N 3.4Å; D637-E640 PolarHBondContact O-N 2.81Å; E640-R642 PolarHBondContact O-N 3.5Å; E640-R643 PolarHBondContact O-N 2.95Å; E640-R643 IonicContact OE1-NH1 2.86Å; E640-R643 IonicContact OE2-CZ 3.22Å; E640-R643 IonicContact OE2-NH1 2.7Å; E640-R643 PolarHBondContact OE2-NH1 2.91Å; E640-G644 PolarHBondContact O-N 3.48Å
641D79.4Confident82.9Confident72 Ų7257.3 Ų57.339%0.38530%0.303SS..Hα-helixtrans-60.9-45.7173.4172.750.6000111.4D637 R643 G644 K645D637-D641 WeakPolarHBondContact O-CB 3.47Å; D637-D641 PolarHBondContact O-N 3.28Å; D641-R643 PolarHBondContact O-N 3.23Å; D641-G644 PolarHBondContact O-N 3.49Å; D641-K645 VanDerWaalsContact CG-NZ 3.29Å; D641-K645 WeakPolarHBondContact O-CG 3.18Å; D641-K645 PolarHBondContact O-N 3.11Å; D641-K645 WeakPolarHBondContact OD1-CE 3.35Å; D641-K645 IonicContact OD1-NZ 3.66Å; D641-K645 PolarHBondContact OD1-NZ 3.41Å; D641-K645 VanDerWaalsContact OD1-NZ 3.1Å; D641-K645 IonicContact OD2-NZ 3.1Å; D641-K645 PolarHBondContact OD2-NZ 2.98Å
642R82.4Confident83.4Confident80 Ų8063.6 Ų63.630%0.30233%0.331SS..Hα-helixtrans-60.9-45.3175-72.4-69.6-171.9-166.8-4.6111.9I576 L638 E640 K645 V646I576-R642 HydrophobicContact CD1-CB 4.06Å; I576-R642 HydrophobicContact CG1-CB 4.47Å; I576-R642 HydrophobicContact CG2-CB 4.37Å; L638-R642 WeakPolarHBondContact O-CB 3.48Å; L638-R642 VanDerWaalsContact O-CG 3.24Å; L638-R642 WeakPolarHBondContact O-CG 3.42Å; L638-R642 PolarHBondContact O-N 2.96Å; L638-R642 VanDerWaalsContact O-N 3.16Å; E640-R642 PolarHBondContact O-N 3.5Å; R642-K645 PolarHBondContact O-N 3.45Å; R642-V646 WeakPolarHBondContact O-CG2 3.33Å; R642-V646 PolarHBondContact O-N 2.94Å; R642-V646 VanDerWaalsContact O-N 3.16Å
643R82.8Confident83.9Confident60 Ų6066 Ų6623%0.22635%0.345CS..Hα-helixtrans-61.9-45.6177.3-177.2173.2166.2-88.6-6.8111.3R572 I576 L639 E640 D641 K645 V646 L647R572-R643 PolarHBondContact O-NE 3.3Å; I576-R643 HydrophobicContact CD1-CB 4.1Å; I576-R643 HydrophobicContact CG1-CB 4.29Å; L639-R643 VanDerWaalsContact O-CB 3.29Å; L639-R643 WeakPolarHBondContact O-CB 3.44Å; L639-R643 PolarHBondContact O-N 2.94Å; E640-R643 PolarHBondContact O-N 2.95Å; E640-R643 IonicContact OE1-NH1 2.86Å; E640-R643 IonicContact OE2-CZ 3.22Å; E640-R643 IonicContact OE2-NH1 2.7Å; E640-R643 PolarHBondContact OE2-NH1 2.91Å; D641-R643 PolarHBondContact O-N 3.23Å; R643-K645 VanDerWaalsContact C-N 3.33Å; R643-K645 PolarHBondContact O-N 3.3Å; R643-V646 PolarHBondContact O-N 3.27Å; R643-L647 HydrophobicContact CG-CD1 3.91Å; R643-L647 HydrophobicContact CG-CG 4.28Å; R643-L647 WeakPolarHBondContact O-CB 3.27Å; R643-L647 WeakPolarHBondContact O-CG 3.32Å; R643-L647 PolarHBondContact O-N 3.44Å
644G80.1Confident84.7Confident30 Ų3068.1 Ų68.131%0.30936%0.358SS..Hα-helixtrans-57.7-43.3177.700000112.3E640 D641 L647 S648E640-G644 PolarHBondContact O-N 3.48Å; D641-G644 PolarHBondContact O-N 3.49Å; G644-L647 PolarHBondContact O-N 3.23Å; G644-S648 VanDerWaalsContact O-CB 3.26Å; G644-S648 WeakPolarHBondContact O-CB 3.38Å; G644-S648 PolarHBondContact O-N 2.84Å; G644-S648 PolarHBondContact O-OG 2.91Å
645K86Confident85.3Confident117 Ų11769.6 Ų69.651%0.50936%0.358SS..Hα-helixtrans-61.7-43.8174.7-73.6166.2179.3160.90112.7D641 R642 R643 R649D641-K645 VanDerWaalsContact CG-NZ 3.29Å; D641-K645 WeakPolarHBondContact O-CG 3.18Å; D641-K645 PolarHBondContact O-N 3.11Å; D641-K645 WeakPolarHBondContact OD1-CE 3.35Å; D641-K645 IonicContact OD1-NZ 3.66Å; D641-K645 PolarHBondContact OD1-NZ 3.41Å; D641-K645 VanDerWaalsContact OD1-NZ 3.1Å; D641-K645 IonicContact OD2-NZ 3.1Å; D641-K645 PolarHBondContact OD2-NZ 2.98Å; R642-K645 PolarHBondContact O-N 3.45Å; R643-K645 VanDerWaalsContact C-N 3.33Å; R643-K645 PolarHBondContact O-N 3.3Å; K645-R649 PolarHBondContact O-N 2.92Å
646V86.5Confident85.9Confident46 Ų4672.1 Ų72.128%0.27938%0.375SS..Hα-helixtrans-66.4-48.3178173.70000111.1P575 R642 R643 S648 R649 C650P575-V646 HydrophobicContact CB-CG1 4.05Å; R642-V646 WeakPolarHBondContact O-CG2 3.33Å; R642-V646 PolarHBondContact O-N 2.94Å; R642-V646 VanDerWaalsContact O-N 3.16Å; R643-V646 PolarHBondContact O-N 3.27Å; V646-S648 PolarHBondContact O-N 3.47Å; V646-R649 PolarHBondContact O-N 2.77Å; V646-C650 PolarHBondContact O-N 3.46Å; V646-C650 PolarHBondContact O-SG 3.17Å; V646-C650 VanDerWaalsContact O-SG 3.41Å
647L85.1Confident86.7Confident72 Ų7274.7 Ų74.738%0.37739%0.394SS..Hα-helixtrans-62.6-42.2179.9-70.8178.1000111.9R643 G644 R649 C650 A651R643-L647 HydrophobicContact CG-CD1 3.91Å; R643-L647 HydrophobicContact CG-CG 4.28Å; R643-L647 WeakPolarHBondContact O-CB 3.27Å; R643-L647 WeakPolarHBondContact O-CG 3.32Å; R643-L647 PolarHBondContact O-N 3.44Å; G644-L647 PolarHBondContact O-N 3.23Å; L647-R649 VanDerWaalsContact C-N 3.3Å; L647-R649 PolarHBondContact O-N 2.77Å; L647-C650 PolarHBondContact O-N 2.98Å; L647-A651 WeakPolarHBondContact O-CB 3.28Å; L647-A651 PolarHBondContact O-N 2.8Å
648S87.5Confident87.5Confident77 Ų7778.7 Ų78.754%0.53840%0.404SS..Hα-helixtrans-59.3-41.1176.9-61.80000111.8G644 V646 F652G644-S648 VanDerWaalsContact O-CB 3.26Å; G644-S648 WeakPolarHBondContact O-CB 3.38Å; G644-S648 PolarHBondContact O-N 2.84Å; G644-S648 PolarHBondContact O-OG 2.91Å; V646-S648 PolarHBondContact O-N 3.47Å; S648-F652 VanDerWaalsContact O-CB 3.27Å; S648-F652 WeakPolarHBondContact O-CB 3.44Å; S648-F652 PolarHBondContact O-N 2.5Å
649R89.4Confident88.1Confident178 Ų17880 Ų8067%0.67241%0.411SS*.Hα-helixtrans-65.7-42.2175.8-174.4177.9177.9170.41.9112.4K645 V646 L647 T653K645-R649 PolarHBondContact O-N 2.92Å; V646-R649 PolarHBondContact O-N 2.77Å; L647-R649 VanDerWaalsContact C-N 3.3Å; L647-R649 PolarHBondContact O-N 2.77Å; R649-T653 PolarHBondContact O-N 3.2Å; R649-T653 VanDerWaalsContact O-N 3.1Å; R649-T653 PolarHBondContact O-OG1 3.34Å
650C88.4Confident88.8Confident66 Ų6687.8 Ų87.845%0.44644%0.44SS..Hα-helixtrans-64.3-47.7176.1-68.90000111.3V646 L647 F652 T653 I654V646-C650 PolarHBondContact O-N 3.46Å; V646-C650 PolarHBondContact O-SG 3.17Å; V646-C650 VanDerWaalsContact O-SG 3.41Å; L647-C650 PolarHBondContact O-N 2.98Å; C650-F652 PolarHBondContact O-N 3.08Å; C650-T653 WeakPolarHBondContact O-CB 3.45Å; C650-T653 PolarHBondContact O-N 3.05Å; C650-T653 VanDerWaalsContact O-N 3.14Å; C650-I654 WeakPolarHBondContact O-CG1 3.25Å; C650-I654 PolarHBondContact O-N 2.67Å
651A90.1Very high89.4Confident42 Ų4290.6 Ų90.635%0.34745%0.453SS..Hα-helixtrans-59.2-46.5177.500000111.5L647 T653 I654 Q655L647-A651 WeakPolarHBondContact O-CB 3.28Å; L647-A651 PolarHBondContact O-N 2.8Å; A651-T653 VanDerWaalsContact C-N 3.27Å; A651-T653 PolarHBondContact O-N 2.85Å; A651-I654 PolarHBondContact O-N 3.49Å; A651-Q655 WeakPolarHBondContact O-CB 3.34Å; A651-Q655 VanDerWaalsContact O-CG 3.26Å; A651-Q655 WeakPolarHBondContact O-CG 3.39Å; A651-Q655 PolarHBondContact O-N 3.09Å
652F92.5Very high90.2Very high133 Ų13390.3 Ų90.358%0.58345%0.449SS*.Hα-helixtrans-56.8-41.7175.3-178.7-98.5000112S648 C650 C656S648-F652 VanDerWaalsContact O-CB 3.27Å; S648-F652 WeakPolarHBondContact O-CB 3.44Å; S648-F652 PolarHBondContact O-N 2.5Å; C650-F652 PolarHBondContact O-N 3.08Å; F652-C656 WeakPolarHBondContact O-CB 3.42Å; F652-C656 PolarHBondContact O-N 2.91Å; F652-C656 PolarHBondContact O-SG 3.12Å
653T92.9Very high90.7Very high74 Ų7495.4 Ų95.445%0.45447%0.469SS..Hα-helixtrans-65.2-46178.1-53.90000111.4R649 C650 A651 C656 C657R649-T653 PolarHBondContact O-N 3.2Å; R649-T653 VanDerWaalsContact O-N 3.1Å; R649-T653 PolarHBondContact O-OG1 3.34Å; C650-T653 WeakPolarHBondContact O-CB 3.45Å; C650-T653 PolarHBondContact O-N 3.05Å; C650-T653 VanDerWaalsContact O-N 3.14Å; A651-T653 VanDerWaalsContact C-N 3.27Å; A651-T653 PolarHBondContact O-N 2.85Å; T653-C656 PolarHBondContact O-N 3.12Å; T653-C657 WeakPolarHBondContact O-CB 3.36Å; T653-C657 PolarHBondContact O-N 2.72Å; T653-C657 PolarHBondContact O-SG 2.98Å; T653-C657 VanDerWaalsContact O-SG 3.37Å
654I93.8Very high91.3Very high117 Ų117100.5 Ų100.560%0.649%0.488SS*.Hα-helixtrans-62.5-47.5177.7-66.5166.9000110.5C650 A651 C656 C657 W658C650-I654 WeakPolarHBondContact O-CG1 3.25Å; C650-I654 PolarHBondContact O-N 2.67Å; A651-I654 PolarHBondContact O-N 3.49Å; I654-C656 PolarHBondContact O-N 2.97Å; I654-C657 PolarHBondContact O-N 3.17Å; I654-W658 WeakPolarHBondContact O-CB 3.4Å; I654-W658 PolarHBondContact O-N 3.22Å
655Q93.3Very high92Very high116 Ų116106.1 Ų106.154%0.54250%0.5SS..Hα-helixtrans-59.1-45.9178-73.5173.1-15.400111.3A651 C657 W658 L659A651-Q655 WeakPolarHBondContact O-CB 3.34Å; A651-Q655 VanDerWaalsContact O-CG 3.26Å; A651-Q655 WeakPolarHBondContact O-CG 3.39Å; A651-Q655 PolarHBondContact O-N 3.09Å; Q655-C657 PolarHBondContact O-N 2.75Å; Q655-W658 PolarHBondContact O-N 2.84Å; Q655-L659 WeakPolarHBondContact O-CB 3.49Å; Q655-L659 VanDerWaalsContact O-CG 3.23Å; Q655-L659 WeakPolarHBondContact O-CG 3.45Å; Q655-L659 PolarHBondContact O-N 3.37Å
656C94.3Very high92.3Very high55 Ų55107.2 Ų107.237%0.37250%0.501SS..Hα-helixtrans-60.2-45.2175.9-730000112.2F652 T653 I654 R660F652-C656 WeakPolarHBondContact O-CB 3.42Å; F652-C656 PolarHBondContact O-N 2.91Å; F652-C656 PolarHBondContact O-SG 3.12Å; T653-C656 PolarHBondContact O-N 3.12Å; I654-C656 PolarHBondContact O-N 2.97Å; C656-R660 VanDerWaalsContact O-CB 3.27Å; C656-R660 WeakPolarHBondContact O-CB 3.46Å; C656-R660 PolarHBondContact O-N 3.44Å
657C95.1Very high92.7Very high78 Ų78109.7 Ų109.753%0.52751%0.512SS..Hα-helixtrans-62.5-43.8176.8-75.40000112T653 I654 Q655 R660 H661T653-C657 WeakPolarHBondContact O-CB 3.36Å; T653-C657 PolarHBondContact O-N 2.72Å; T653-C657 PolarHBondContact O-SG 2.98Å; T653-C657 VanDerWaalsContact O-SG 3.37Å; I654-C657 PolarHBondContact O-N 3.17Å; Q655-C657 PolarHBondContact O-N 2.75Å; C657-R660 PolarHBondContact O-N 2.63Å; C657-H661 WeakPolarHBondContact O-CB 3.34Å; C657-H661 PolarHBondContact O-N 2.77Å
658W94.3Very high93.1Very high152 Ų152108.6 Ų108.658%0.57651%0.513SS*.Hα-helixtrans-63.9-48.5177.1175.6-112.6000112.1I654 Q655 R660 H661 Q662I654-W658 WeakPolarHBondContact O-CB 3.4Å; I654-W658 PolarHBondContact O-N 3.22Å; Q655-W658 PolarHBondContact O-N 2.84Å; W658-R660 VanDerWaalsContact C-N 3.29Å; W658-R660 PolarHBondContact O-N 3.23Å; W658-H661 WeakPolarHBondContact O-CB 3.43Å; W658-H661 PolarHBondContact O-N 3.09Å; W658-H661 VanDerWaalsContact O-N 3.13Å; W658-Q662 WeakPolarHBondContact O-CB 3.07Å; W658-Q662 PolarHBondContact O-N 3.25Å
659L94.9Very high93.5Very high85 Ų85113.2 Ų113.245%0.44552%0.519SS..Hα-helixtrans-60.9-39.8176.9-71.6171.4000111.2Q655 Q662 R663Q655-L659 WeakPolarHBondContact O-CB 3.49Å; Q655-L659 VanDerWaalsContact O-CG 3.23Å; Q655-L659 WeakPolarHBondContact O-CG 3.45Å; Q655-L659 PolarHBondContact O-N 3.37Å; L659-Q662 PolarHBondContact O-N 2.98Å; L659-R663 WeakPolarHBondContact O-CB 3.5Å; L659-R663 VanDerWaalsContact O-CG 3.32Å; L659-R663 WeakPolarHBondContact O-CG 3.27Å; L659-R663 PolarHBondContact O-N 2.85Å
660R95.4Very high93.7Very high165 Ų165113.3 Ų113.362%0.62352%0.519SS*.Hα-helixtrans-63.2-45.5173.3178.3178.7-93.7-179.7-5.3111.4C656 C657 W658 R663 R664C656-R660 VanDerWaalsContact O-CB 3.27Å; C656-R660 WeakPolarHBondContact O-CB 3.46Å; C656-R660 PolarHBondContact O-N 3.44Å; C657-R660 PolarHBondContact O-N 2.63Å; W658-R660 VanDerWaalsContact C-N 3.29Å; W658-R660 PolarHBondContact O-N 3.23Å; R660-R663 PolarHBondContact O-N 2.96Å; R660-R664 WeakPolarHBondContact O-CG 3.29Å; R660-R664 PolarHBondContact O-N 3.04Å
661H94.1Very high94Very high87 Ų87115.6 Ų115.640%0.40352%0.523SS..Hα-helixtrans-60.2-46.9176.4178.583.7000111.5C657 W658 R663 R664 R665C657-H661 WeakPolarHBondContact O-CB 3.34Å; C657-H661 PolarHBondContact O-N 2.77Å; W658-H661 WeakPolarHBondContact O-CB 3.43Å; W658-H661 PolarHBondContact O-N 3.09Å; W658-H661 VanDerWaalsContact O-N 3.13Å; H661-R663 PolarHBondContact O-N 3.29Å; H661-R664 PolarHBondContact O-N 3.2Å; H661-R665 PolarHBondContact O-N 3.23Å
662Q94.9Very high94.2Very high66 Ų66116.7 Ų116.731%0.30853%0.528SS..Hα-helixtrans-62.2-42.4179-163.3-17333.800111.7W658 L659 R665 R666W658-Q662 WeakPolarHBondContact O-CB 3.07Å; W658-Q662 PolarHBondContact O-N 3.25Å; L659-Q662 PolarHBondContact O-N 2.98Å; Q662-R665 PolarHBondContact O-N 3.31Å; Q662-R666 WeakPolarHBondContact O-CG 3.4Å; Q662-R666 PolarHBondContact O-N 2.71Å
663R94Very high94.4Very high188 Ų188112.5 Ų112.571%0.70952%0.518SS*.Hα-helixtrans-62-44.8174.2-76.2179.5-175.7-172.22.8112L659 R660 H661 R666 L667L659-R663 WeakPolarHBondContact O-CB 3.5Å; L659-R663 VanDerWaalsContact O-CG 3.32Å; L659-R663 WeakPolarHBondContact O-CG 3.27Å; L659-R663 PolarHBondContact O-N 2.85Å; R660-R663 PolarHBondContact O-N 2.96Å; H661-R663 PolarHBondContact O-N 3.29Å; R663-R666 PolarHBondContact O-N 3.49Å; R663-L667 PolarHBondContact O-N 2.82Å
664R94.3Very high94.5Very high167 Ų167112.9 Ų112.963%0.6352%0.52SS*.Hα-helixtrans-60.3-45.2176-74.2-179.6-179.4-175.2-0.2111.8R660 H661 R666 L667 A668R660-R664 WeakPolarHBondContact O-CG 3.29Å; R660-R664 PolarHBondContact O-N 3.04Å; H661-R664 PolarHBondContact O-N 3.2Å; R664-R666 PolarHBondContact O-N 3.41Å; R664-L667 PolarHBondContact O-N 3.45Å; R664-A668 PolarHBondContact O-N 3.29Å
665R94.4Very high94.6Very high148 Ų148113.2 Ų113.256%0.55852%0.523SS*.Hα-helixtrans-60.6-43.1174.8-98.8-171.9166.8-176.4-2.1112.5H661 Q662 A668 R669H661-R665 PolarHBondContact O-N 3.23Å; Q662-R665 PolarHBondContact O-N 3.31Å; R665-A668 PolarHBondContact O-N 3.17Å; R665-R669 WeakPolarHBondContact O-CG 3.08Å; R665-R669 PolarHBondContact O-N 2.95Å; R665-R669 VanDerWaalsContact O-N 3.07Å
666R93.6Very high94.7Very high140 Ų140113 Ų11353%0.52852%0.524SS..Hα-helixtrans-63.5-41.1176-74.8179.7-176.7175.82.7111.9Q662 R663 R664 R669 R670Q662-R666 WeakPolarHBondContact O-CG 3.4Å; Q662-R666 PolarHBondContact O-N 2.71Å; R663-R666 PolarHBondContact O-N 3.49Å; R664-R666 PolarHBondContact O-N 3.41Å; R666-R669 PolarHBondContact O-N 3.36Å; R666-R670 WeakPolarHBondContact O-CG 3.24Å; R666-R670 PolarHBondContact O-N 2.74Å
667L95Very high94.8Very high98 Ų98115 Ų11551%0.51353%0.528SS..Hα-helixtrans-64.7-45.4177.5-17566.2000111.7R663 R664 R669 R670 Q671R663-L667 PolarHBondContact O-N 2.82Å; R664-L667 PolarHBondContact O-N 3.45Å; L667-R669 PolarHBondContact O-N 3.09Å; L667-R670 WeakPolarHBondContact O-CB 3.25Å; L667-R670 PolarHBondContact O-N 3.35Å; L667-R670 VanDerWaalsContact O-N 3.15Å; L667-Q671 WeakPolarHBondContact O-CG 3.14Å; L667-Q671 PolarHBondContact O-N 2.97Å
668A93.5Very high94.8Very high48 Ų48113.7 Ų113.740%0.39752%0.523SS..Hα-helixtrans-58.6-46.1176.400000111.6R664 R665 R670 Q671 S672R664-A668 PolarHBondContact O-N 3.29Å; R665-A668 PolarHBondContact O-N 3.17Å; A668-R670 VanDerWaalsContact C-N 3.32Å; A668-R670 PolarHBondContact O-N 3.3Å; A668-Q671 PolarHBondContact O-N 2.82Å; A668-S672 PolarHBondContact O-N 3.02Å; A668-S672 PolarHBondContact O-OG 2.88Å
669R94.3Very high94.9Very high174 Ų174109.3 Ų109.366%0.65752%0.519SS*.Hα-helixtrans-58.2-42.3174.5-72.3176.9-175.5171.5-0.3112.4R665 R666 L667 A673R665-R669 WeakPolarHBondContact O-CG 3.08Å; R665-R669 PolarHBondContact O-N 2.95Å; R665-R669 VanDerWaalsContact O-N 3.07Å; R666-R669 PolarHBondContact O-N 3.36Å; L667-R669 PolarHBondContact O-N 3.09Å; R669-A673 PolarHBondContact O-N 3.48Å
670R94.1Very high94.9Very high181 Ų181108.7 Ų108.768%0.68352%0.519SS*.Hα-helixtrans-64.2-43.9176.1-75.5179.5178.1178.3-1.5111.8R666 L667 A668 A673 T674R666-R670 WeakPolarHBondContact O-CG 3.24Å; R666-R670 PolarHBondContact O-N 2.74Å; L667-R670 WeakPolarHBondContact O-CB 3.25Å; L667-R670 PolarHBondContact O-N 3.35Å; L667-R670 VanDerWaalsContact O-N 3.15Å; A668-R670 VanDerWaalsContact C-N 3.32Å; A668-R670 PolarHBondContact O-N 3.3Å; R670-A673 PolarHBondContact O-N 2.91Å; R670-T674 PolarHBondContact O-N 2.84Å; R670-T674 PolarHBondContact O-OG1 3.15Å
671Q94.9Very high94.9Very high114 Ų114108 Ų10853%0.53352%0.516SS..Hα-helixtrans-61.2-44.7177.4-74.1174.8-19.700111.9L667 A668 A673 T674 L675L667-Q671 WeakPolarHBondContact O-CG 3.14Å; L667-Q671 PolarHBondContact O-N 2.97Å; A668-Q671 PolarHBondContact O-N 2.82Å; Q671-A673 VanDerWaalsContact C-N 3.34Å; Q671-A673 PolarHBondContact O-N 2.94Å; Q671-T674 PolarHBondContact O-N 2.91Å; Q671-L675 PolarHBondContact O-N 3.41Å
672S95.1Very high94.9Very high65 Ų65106.2 Ų106.246%0.45551%0.513SS..Hα-helixtrans-59.8-43.6174.1-57.40000111.9A668 T674 L675 I676A668-S672 PolarHBondContact O-N 3.02Å; A668-S672 PolarHBondContact O-OG 2.88Å; S672-T674 PolarHBondContact O-N 2.99Å; S672-L675 PolarHBondContact O-N 3.3Å; S672-I676 WeakPolarHBondContact O-CG1 3.38Å; S672-I676 PolarHBondContact O-N 3.36Å
673A95.8Very high94.9Very high44 Ų44109.2 Ų109.236%0.36452%0.522SS..Hα-helixtrans-61.3-43.3175.700000112.1R669 R670 Q671 L675 I676 Q677R669-A673 PolarHBondContact O-N 3.48Å; R670-A673 PolarHBondContact O-N 2.91Å; Q671-A673 VanDerWaalsContact C-N 3.34Å; Q671-A673 PolarHBondContact O-N 2.94Å; A673-L675 PolarHBondContact O-N 3.03Å; A673-I676 PolarHBondContact O-N 2.86Å; A673-Q677 WeakPolarHBondContact O-CB 3.33Å; A673-Q677 VanDerWaalsContact O-CG 3.29Å; A673-Q677 WeakPolarHBondContact O-CG 3.17Å; A673-Q677 PolarHBondContact O-N 3.17Å
674T96.3Very high94.9Very high82 Ų82104.6 Ų104.650%0.50351%0.51SS..Hα-helixtrans-62.8-40.4176.8-53.60000112.1R670 Q671 S672 Q677 A678R670-T674 PolarHBondContact O-N 2.84Å; R670-T674 PolarHBondContact O-OG1 3.15Å; Q671-T674 PolarHBondContact O-N 2.91Å; S672-T674 PolarHBondContact O-N 2.99Å; T674-Q677 PolarHBondContact O-N 3.43Å; T674-A678 WeakPolarHBondContact O-CB 3.13Å; T674-A678 PolarHBondContact O-N 3.08Å
675L95.6Very high95Very high125 Ų125100.7 Ų100.765%0.65451%0.505SS*.Hα-helixtrans-61.9-46.1175.9-79.3166.4000111.7Q671 S672 A673 Q677 A678 A679Q671-L675 PolarHBondContact O-N 3.41Å; S672-L675 PolarHBondContact O-N 3.3Å; A673-L675 PolarHBondContact O-N 3.03Å; L675-Q677 PolarHBondContact O-N 2.85Å; L675-A678 PolarHBondContact O-N 3.26Å; L675-A679 PolarHBondContact O-N 3.35Å
676I96Very high94.9Very high112 Ų112100.1 Ų100.157%0.57450%0.503SS*.Hα-helixtrans-60.7-47.4176.1-65.9165.9000110S672 A673 A678 A679 V680S672-I676 WeakPolarHBondContact O-CG1 3.38Å; S672-I676 PolarHBondContact O-N 3.36Å; A673-I676 PolarHBondContact O-N 2.86Å; I676-A678 VanDerWaalsContact C-N 3.32Å; I676-A678 PolarHBondContact O-N 3.34Å; I676-A679 PolarHBondContact O-N 3.12Å; I676-V680 HydrophobicContact CG2-CG2 4.38Å; I676-V680 WeakPolarHBondContact O-CG2 3.3Å; I676-V680 PolarHBondContact O-N 3.48Å
677Q94.9Very high94.9Very high96 Ų9697.6 Ų97.645%0.44950%0.496SS..Hα-helixtrans-59.3-41.3177.7-73.7177-8.600112.4A673 T674 L675 R681A673-Q677 WeakPolarHBondContact O-CB 3.33Å; A673-Q677 VanDerWaalsContact O-CG 3.29Å; A673-Q677 WeakPolarHBondContact O-CG 3.17Å; A673-Q677 PolarHBondContact O-N 3.17Å; T674-Q677 PolarHBondContact O-N 3.43Å; L675-Q677 PolarHBondContact O-N 2.85Å; Q677-R681 WeakPolarHBondContact O-CB 3.49Å; Q677-R681 VanDerWaalsContact O-CG 3.25Å; Q677-R681 WeakPolarHBondContact O-CG 3.33Å; Q677-R681 PolarHBondContact O-N 3.44Å
678A95.4Very high94.8Very high51 Ų51100.7 Ų100.742%0.42150%0.501SS..Hα-helixtrans-64.9-43.9177.400000112T674 L675 I676 R681 S682T674-A678 WeakPolarHBondContact O-CB 3.13Å; T674-A678 PolarHBondContact O-N 3.08Å; L675-A678 PolarHBondContact O-N 3.26Å; I676-A678 VanDerWaalsContact C-N 3.32Å; I676-A678 PolarHBondContact O-N 3.34Å; A678-R681 PolarHBondContact O-N 3.29Å; A678-S682 WeakPolarHBondContact O-CB 3.44Å; A678-S682 PolarHBondContact O-N 3.5Å
679A95.9Very high94.8Very high59 Ų59102 Ų10249%0.48850%0.5SS..Hα-helixtrans-61.2-45.5176.600000111.9L675 I676 S682 W683L675-A679 PolarHBondContact O-N 3.35Å; I676-A679 PolarHBondContact O-N 3.12Å; A679-S682 PolarHBondContact O-N 3.01Å; A679-W683 WeakPolarHBondContact O-CB 3.29Å; A679-W683 PolarHBondContact O-N 3.32Å
680V95.6Very high94.7Very high73 Ų73101.9 Ų101.944%0.44250%0.5SS..Hα-helixtrans-64-46.6177.8173.30000111.4I676 S682 W683 L684I676-V680 HydrophobicContact CG2-CG2 4.38Å; I676-V680 WeakPolarHBondContact O-CG2 3.3Å; I676-V680 PolarHBondContact O-N 3.48Å; V680-S682 VanDerWaalsContact C-N 3.32Å; V680-S682 PolarHBondContact O-N 3.48Å; V680-W683 PolarHBondContact O-N 3.48Å; V680-L684 HydrophobicContact CG1-CD1 4.15Å; V680-L684 HydrophobicContact CG1-CG 4.45Å; V680-L684 WeakPolarHBondContact O-CG 3.4Å; V680-L684 PolarHBondContact O-N 3.37Å
681R94.8Very high94.6Very high151 Ų151101.5 Ų101.557%0.5750%0.498SS*.Hα-helixtrans-57.9-45.2175.8-74.6174.8-174.5132.82.6111.3Q677 A678 W683 L684 V685Q677-R681 WeakPolarHBondContact O-CB 3.49Å; Q677-R681 VanDerWaalsContact O-CG 3.25Å; Q677-R681 WeakPolarHBondContact O-CG 3.33Å; Q677-R681 PolarHBondContact O-N 3.44Å; A678-R681 PolarHBondContact O-N 3.29Å; R681-W683 PolarHBondContact O-N 3.42Å; R681-L684 PolarHBondContact O-N 3.27Å; R681-V685 WeakPolarHBondContact O-CG2 3.38Å; R681-V685 PolarHBondContact O-N 3.04Å
682S94.6Very high94.4Very high48 Ų48104 Ų10434%0.33650%0.503SS..Hα-helixtrans-63.3-40177.1-177.30000112.5A678 A679 V680 R686A678-S682 WeakPolarHBondContact O-CB 3.44Å; A678-S682 PolarHBondContact O-N 3.5Å; A679-S682 PolarHBondContact O-N 3.01Å; V680-S682 VanDerWaalsContact C-N 3.32Å; V680-S682 PolarHBondContact O-N 3.48Å; S682-R686 WeakPolarHBondContact O-CB 3.43Å; S682-R686 WeakPolarHBondContact O-CG 3.47Å; S682-R686 PolarHBondContact O-N 3.06Å; S682-R686 PolarHBondContact O-NE 3.1Å; S682-R686 PolarHBondContact OG-NE 2.75Å; S682-R686 PolarHBondContact OG-NH2 2.82Å
683W94.7Very high94.3Very high129 Ų129105.9 Ų105.949%0.48951%0.508SS..Hα-helixtrans-64.1-44.2174.9175.784.6000112.2A679 V680 R681 V685 R686 K687A679-W683 WeakPolarHBondContact O-CB 3.29Å; A679-W683 PolarHBondContact O-N 3.32Å; V680-W683 PolarHBondContact O-N 3.48Å; R681-W683 PolarHBondContact O-N 3.42Å; W683-V685 PolarHBondContact O-N 3.28Å; W683-R686 PolarHBondContact O-N 3.19Å; W683-K687 HydrophobicContact CH2-CD 3.88Å; W683-K687 HydrophobicContact CZ2-CD 3.96Å; W683-K687 HydrophobicContact CZ3-CD 4.35Å; W683-K687 WeakPolarHBondContact O-CB 3.38Å; W683-K687 PolarHBondContact O-N 3.1Å
684L95Very high94Very high91 Ų91105.6 Ų105.648%0.47651%0.509SS..Hα-helixtrans-60.5-44.2177.2-73.4172000112V680 R681 K687 R688V680-L684 HydrophobicContact CG1-CD1 4.15Å; V680-L684 HydrophobicContact CG1-CG 4.45Å; V680-L684 WeakPolarHBondContact O-CG 3.4Å; V680-L684 PolarHBondContact O-N 3.37Å; R681-L684 PolarHBondContact O-N 3.27Å; L684-K687 PolarHBondContact O-N 3.41Å; L684-R688 PolarHBondContact O-N 3.16Å
685V94.9Very high93.7Very high85 Ų85104.1 Ų104.152%0.51551%0.505SS..Hα-helixtrans-62.9-47.9176.31730000110.6R681 W683 K687 R688 I689R681-V685 WeakPolarHBondContact O-CG2 3.38Å; R681-V685 PolarHBondContact O-N 3.04Å; W683-V685 PolarHBondContact O-N 3.28Å; V685-K687 VanDerWaalsContact C-N 3.31Å; V685-K687 PolarHBondContact O-N 2.88Å; V685-R688 PolarHBondContact O-N 3.45Å; V685-R688 VanDerWaalsContact O-N 3.12Å; V685-I689 HydrophobicContact CG1-CD1 3.84Å; V685-I689 HydrophobicContact CG1-CG1 4.42Å; V685-I689 WeakPolarHBondContact O-CG1 3.37Å; V685-I689 PolarHBondContact O-N 3.25Å
686R93.2Very high93.5Very high137 Ų137100.1 Ų100.152%0.51749%0.49SS..Hα-helixtrans-60.4-40177.1-75.7-175.7-83.1-152.23.7112.2S682 W683 I689 R690S682-R686 WeakPolarHBondContact O-CB 3.43Å; S682-R686 WeakPolarHBondContact O-CG 3.47Å; S682-R686 PolarHBondContact O-N 3.06Å; S682-R686 PolarHBondContact O-NE 3.1Å; S682-R686 PolarHBondContact OG-NE 2.75Å; S682-R686 PolarHBondContact OG-NH2 2.82Å; W683-R686 PolarHBondContact O-N 3.19Å; R686-I689 PolarHBondContact O-N 3.05Å; R686-R690 WeakPolarHBondContact O-CG 3.16Å; R686-R690 PolarHBondContact O-N 2.99Å
687K93.4Very high93.2Very high86 Ų8697.4 Ų97.437%0.37448%0.481SS..Hα-helixtrans-62.6-41.3174.7-173.5177-178.4176.50111.6W683 L684 V685 R691W683-K687 HydrophobicContact CH2-CD 3.88Å; W683-K687 HydrophobicContact CZ2-CD 3.96Å; W683-K687 HydrophobicContact CZ3-CD 4.35Å; W683-K687 WeakPolarHBondContact O-CB 3.38Å; W683-K687 PolarHBondContact O-N 3.1Å; L684-K687 PolarHBondContact O-N 3.41Å; V685-K687 VanDerWaalsContact C-N 3.31Å; V685-K687 PolarHBondContact O-N 2.88Å; K687-R691 WeakPolarHBondContact O-CG 3.26Å; K687-R691 PolarHBondContact O-N 3.27Å; K687-R691 VanDerWaalsContact O-N 3.12Å
688R93.2Very high93Very high164 Ų16497.2 Ų97.262%0.61949%0.486SS*.Hα-helixtrans-66.4-44.4176.7-173.1173.3-77-177.7-4.7111.8L684 V685 R690 R691 W692L684-R688 PolarHBondContact O-N 3.16Å; V685-R688 PolarHBondContact O-N 3.45Å; V685-R688 VanDerWaalsContact O-N 3.12Å; R688-R690 PolarHBondContact O-N 3.21Å; R688-R691 WeakPolarHBondContact O-CB 3.43Å; R688-R691 PolarHBondContact O-N 3.44Å; R688-R691 VanDerWaalsContact O-N 3.16Å; R688-W692 HydrophobicContact CG-CD2 4.22Å; R688-W692 HydrophobicContact CG-CH2 4.39Å; R688-W692 HydrophobicContact CG-CZ2 3.81Å; R688-W692 PolarHBondContact O-N 2.95Å
689I92.9Very high92.7Very high74 Ų74100.2 Ų100.238%0.37949%0.494SS..Hα-helixtrans-61.5-43.8175.7-67.3170000111.1V685 R686 R691 W692 N693V685-I689 HydrophobicContact CG1-CD1 3.84Å; V685-I689 HydrophobicContact CG1-CG1 4.42Å; V685-I689 WeakPolarHBondContact O-CG1 3.37Å; V685-I689 PolarHBondContact O-N 3.25Å; R686-I689 PolarHBondContact O-N 3.05Å; I689-R691 VanDerWaalsContact C-N 3.28Å; I689-R691 PolarHBondContact O-N 2.84Å; I689-W692 HydrophobicContact CG1-CE3 4.48Å; I689-W692 PolarHBondContact O-N 2.63Å; I689-W692 VanDerWaalsContact O-N 3.15Å; I689-N693 PolarHBondContact O-N 3.38Å
690R92.5Very high92.4Very high172 Ų172102.8 Ų102.865%0.64950%0.496SS*.Hα-helixtrans-59-39.9175.1-72.7-177.8-145.5170.42.6112.2R686 R688 N693 G694R686-R690 WeakPolarHBondContact O-CG 3.16Å; R686-R690 PolarHBondContact O-N 2.99Å; R688-R690 PolarHBondContact O-N 3.21Å; R690-N693 PolarHBondContact O-N 2.95Å; R690-G694 PolarHBondContact O-N 2.97Å
691R91.6Very high92Very high174 Ų174103 Ų10366%0.65750%0.495SS*.Hα-helixtrans-64-43.8174.3-75.5-178174.5179.4-3.6111.9K687 R688 I689 G694 A695K687-R691 WeakPolarHBondContact O-CG 3.26Å; K687-R691 PolarHBondContact O-N 3.27Å; K687-R691 VanDerWaalsContact O-N 3.12Å; R688-R691 WeakPolarHBondContact O-CB 3.43Å; R688-R691 PolarHBondContact O-N 3.44Å; R688-R691 VanDerWaalsContact O-N 3.16Å; I689-R691 VanDerWaalsContact C-N 3.28Å; I689-R691 PolarHBondContact O-N 2.84Å; R691-G694 PolarHBondContact O-N 2.98Å; R691-A695 PolarHBondContact O-N 3.47Å
692W91.9Very high91.7Very high167 Ų16799.7 Ų99.763%0.63349%0.491SS*.Hα-helixtrans-63.1-43.3176.1-66.7-17.6000112.3R688 I689 G694 A695 A696R688-W692 HydrophobicContact CG-CD2 4.22Å; R688-W692 HydrophobicContact CG-CH2 4.39Å; R688-W692 HydrophobicContact CG-CZ2 3.81Å; R688-W692 PolarHBondContact O-N 2.95Å; I689-W692 HydrophobicContact CG1-CE3 4.48Å; I689-W692 PolarHBondContact O-N 2.63Å; I689-W692 VanDerWaalsContact O-N 3.15Å; W692-G694 VanDerWaalsContact C-N 3.33Å; W692-G694 PolarHBondContact O-N 3.28Å; W692-A695 PolarHBondContact O-N 3.2Å; W692-A696 WeakPolarHBondContact O-CB 3.37Å; W692-A696 PolarHBondContact O-N 3.22Å
693N91.8Very high91.4Very high104 Ų104104.2 Ų104.256%0.55650%0.501SS*.Hα-helixtrans-64.4-38.6175.7-69.4-4.7000111.7I689 R690 A696 S697I689-N693 PolarHBondContact O-N 3.38Å; R690-N693 PolarHBondContact O-N 2.95Å; N693-A696 PolarHBondContact O-N 3.27Å; N693-S697 WeakPolarHBondContact O-CB 3.26Å; N693-S697 PolarHBondContact O-N 3.31Å
694G90.6Very high91.1Very high38 Ų38104.4 Ų104.439%0.39251%0.505SS..Hα-helixtrans-60.9-48.4172.400000112.2R690 R691 W692 S697 V698R690-G694 PolarHBondContact O-N 2.97Å; R691-G694 PolarHBondContact O-N 2.98Å; W692-G694 VanDerWaalsContact C-N 3.33Å; W692-G694 PolarHBondContact O-N 3.28Å; G694-S697 PolarHBondContact O-N 3.08Å; G694-V698 WeakPolarHBondContact O-CG2 3.45Å; G694-V698 PolarHBondContact O-N 2.81Å
695A89.4Confident90.6Very high51 Ų51107.8 Ų107.842%0.42152%0.516SS..Hα-helixtrans-62.3-43.5176.500000112.2R691 W692 S697 V698 I699R691-A695 PolarHBondContact O-N 3.47Å; W692-A695 PolarHBondContact O-N 3.2Å; A695-S697 VanDerWaalsContact C-N 3.33Å; A695-S697 PolarHBondContact O-N 2.97Å; A695-V698 PolarHBondContact O-N 3.06Å; A695-I699 WeakPolarHBondContact O-CG1 3.34Å; A695-I699 PolarHBondContact O-N 2.89Å
696A90.2Very high90.1Very high41 Ų41110.2 Ų110.234%0.33952%0.516SS..Hα-helixtrans-60.7-41.217600000111.7W692 N693 I699 Q700W692-A696 WeakPolarHBondContact O-CB 3.37Å; W692-A696 PolarHBondContact O-N 3.22Å; N693-A696 PolarHBondContact O-N 3.27Å; A696-I699 PolarHBondContact O-N 3.06Å; A696-Q700 WeakPolarHBondContact O-CB 3.38Å; A696-Q700 VanDerWaalsContact O-CG 3.23Å; A696-Q700 WeakPolarHBondContact O-CG 3.45Å; A696-Q700 PolarHBondContact O-N 2.79Å
697S90.4Very high89.8Confident54 Ų54111 Ų11138%0.37852%0.519SS..Hα-helixtrans-63.1-41.3175.4-173.20000112.1N693 G694 A695 Q700 N701N693-S697 WeakPolarHBondContact O-CB 3.26Å; N693-S697 PolarHBondContact O-N 3.31Å; G694-S697 PolarHBondContact O-N 3.08Å; A695-S697 VanDerWaalsContact C-N 3.33Å; A695-S697 PolarHBondContact O-N 2.97Å; S697-Q700 PolarHBondContact O-N 3.38Å; S697-N701 VanDerWaalsContact O-CB 3.31Å; S697-N701 WeakPolarHBondContact O-CB 3.47Å; S697-N701 PolarHBondContact O-N 2.84Å; S697-N701 PolarHBondContact O-ND2 3.33Å
698V90.9Very high89.4Confident93 Ų93109.8 Ų109.856%0.56453%0.525SS*.Hα-helixtrans-63.5-45.7174.6174.70000111.3G694 A695 N701 T702G694-V698 WeakPolarHBondContact O-CG2 3.45Å; G694-V698 PolarHBondContact O-N 2.81Å; A695-V698 PolarHBondContact O-N 3.06Å; V698-N701 PolarHBondContact O-N 2.88Å; V698-T702 HydrophobicContact CG1-CG2 4.39Å; V698-T702 WeakPolarHBondContact O-CB 3.27Å; V698-T702 WeakPolarHBondContact O-CG2 3.36Å; V698-T702 PolarHBondContact O-N 3.04Å; V698-T702 PolarHBondContact O-OG1 3.33Å
699I89.1Confident88.8Confident113 Ų113106.7 Ų106.758%0.57952%0.52SS*.Hα-helixtrans-62.1-44.4176.9-66.5166.9000110.7A695 A696 N701 T702 W703A695-I699 WeakPolarHBondContact O-CG1 3.34Å; A695-I699 PolarHBondContact O-N 2.89Å; A696-I699 PolarHBondContact O-N 3.06Å; I699-N701 PolarHBondContact O-N 3.47Å; I699-T702 VanDerWaalsContact CA-OG1 3.31Å; I699-T702 WeakPolarHBondContact CA-OG1 3.43Å; I699-T702 PolarHBondContact O-N 3.18Å; I699-T702 PolarHBondContact O-OG1 2.86Å; I699-W703 VanDerWaalsContact O-CB 3.27Å; I699-W703 WeakPolarHBondContact O-CB 3.44Å; I699-W703 PolarHBondContact O-N 3.44Å
700Q89.8Confident88.2Confident113 Ų113106.9 Ų106.953%0.52852%0.522SS..Hα-helixtrans-63.8-41.7177.6-75.5174.9-5.900112A696 S697 K704A696-Q700 WeakPolarHBondContact O-CB 3.38Å; A696-Q700 VanDerWaalsContact O-CG 3.23Å; A696-Q700 WeakPolarHBondContact O-CG 3.45Å; A696-Q700 PolarHBondContact O-N 2.79Å; S697-Q700 PolarHBondContact O-N 3.38Å; Q700-K704 WeakPolarHBondContact O-CB 3.36Å; Q700-K704 VanDerWaalsContact O-CG 3.22Å; Q700-K704 WeakPolarHBondContact O-CG 3.18Å; Q700-K704 PolarHBondContact O-N 2.89Å
701N87.6Confident87.6Confident79 Ų79104.9 Ų104.942%0.42252%0.517SS..Hα-helixtrans-70.5-38.8179.3-72.5-19.4000112.1S697 V698 I699 K704 K705S697-N701 VanDerWaalsContact O-CB 3.31Å; S697-N701 WeakPolarHBondContact O-CB 3.47Å; S697-N701 PolarHBondContact O-N 2.84Å; S697-N701 PolarHBondContact O-ND2 3.33Å; V698-N701 PolarHBondContact O-N 2.88Å; I699-N701 PolarHBondContact O-N 3.47Å; N701-K704 PolarHBondContact O-N 2.95Å; N701-K705 WeakPolarHBondContact O-CG 3.33Å; N701-K705 PolarHBondContact O-N 2.88Å
702T88.4Confident86.9Confident80 Ų8099.5 Ų99.549%0.49151%0.506SS..Hα-helixtrans-67.1-42.6174.447.80000111.5V698 I699 K704 K705 W706V698-T702 HydrophobicContact CG1-CG2 4.39Å; V698-T702 WeakPolarHBondContact O-CB 3.27Å; V698-T702 WeakPolarHBondContact O-CG2 3.36Å; V698-T702 PolarHBondContact O-N 3.04Å; V698-T702 PolarHBondContact O-OG1 3.33Å; I699-T702 VanDerWaalsContact CA-OG1 3.31Å; I699-T702 WeakPolarHBondContact CA-OG1 3.43Å; I699-T702 PolarHBondContact O-N 3.18Å; I699-T702 PolarHBondContact O-OG1 2.86Å; T702-K704 PolarHBondContact O-N 2.81Å; T702-K705 PolarHBondContact O-N 2.9Å; T702-W706 WeakPolarHBondContact O-CB 3.47Å; T702-W706 PolarHBondContact O-N 3.36Å
703W87.1Confident86.1Confident144 Ų14496.2 Ų96.255%0.54550%0.501SS..Hα-helixtrans-60.6-44172.7179.8-104.7000112.4I699 K705 W706 R707I699-W703 VanDerWaalsContact O-CB 3.27Å; I699-W703 WeakPolarHBondContact O-CB 3.44Å; I699-W703 PolarHBondContact O-N 3.44Å; W703-K705 PolarHBondContact O-N 2.93Å; W703-W706 HydrophobicContact CD2-CE3 4.43Å; W703-W706 AromaticContact CE3-CE3 3.83Å; W703-W706 HydrophobicContact CE3-CE3 3.83Å; W703-W706 HydrophobicContact CE3-CZ3 4.15Å; W703-W706 AromaticContact CH2-CE3 3.94Å; W703-W706 HydrophobicContact CH2-CE3 3.94Å; W703-W706 HydrophobicContact CH2-CH2 4.26Å; W703-W706 AromaticContact CH2-CZ3 3.41Å; W703-W706 HydrophobicContact CH2-CZ3 3.41Å; W703-W706 VanDerWaalsContact CH2-CZ3 3.41Å; W703-W706 HydrophobicContact CZ2-CZ3 4.15Å; W703-W706 HydrophobicContact CZ3-CD2 4.49Å; W703-W706 AromaticContact CZ3-CE3 3.56Å; W703-W706 HydrophobicContact CZ3-CE3 3.56Å; W703-W706 HydrophobicContact CZ3-CH2 4.2Å; W703-W706 AromaticContact CZ3-CZ3 3.41Å; W703-W706 HydrophobicContact CZ3-CZ3 3.41Å; W703-W706 VanDerWaalsContact CZ3-CZ3 3.41Å; W703-W706 PolarHBondContact O-N 2.96Å; W703-R707 VanDerWaalsContact O-CB 3.3Å; W703-R707 WeakPolarHBondContact O-CB 3.32Å; W703-R707 PolarHBondContact O-N 2.91Å
704K88.4Confident85Confident133 Ų13393.5 Ų93.558%0.57849%0.493SS*.Hα-helixtrans-60.5-43.8175.3-77.1173-177.2179.30111.8Q700 N701 T702 R707 A708Q700-K704 WeakPolarHBondContact O-CB 3.36Å; Q700-K704 VanDerWaalsContact O-CG 3.22Å; Q700-K704 WeakPolarHBondContact O-CG 3.18Å; Q700-K704 PolarHBondContact O-N 2.89Å; N701-K704 PolarHBondContact O-N 2.95Å; T702-K704 PolarHBondContact O-N 2.81Å; K704-R707 PolarHBondContact O-N 3.14Å; K704-A708 WeakPolarHBondContact O-CB 3.32Å; K704-A708 PolarHBondContact O-N 3.35Å
705K85.3Confident84Confident162 Ų16297.6 Ų97.670%0.70450%0.502SS*.Hα-helixtrans-63.4-46.3175.4-76.4-176.2177.6-170.50112N701 T702 W703 R707 A708 L709N701-K705 WeakPolarHBondContact O-CG 3.33Å; N701-K705 PolarHBondContact O-N 2.88Å; T702-K705 PolarHBondContact O-N 2.9Å; W703-K705 PolarHBondContact O-N 2.93Å; K705-R707 PolarHBondContact O-N 3.22Å; K705-A708 PolarHBondContact O-N 3.03Å; K705-L709 WeakPolarHBondContact O-CB 3.31Å; K705-L709 PolarHBondContact O-N 2.83Å
706W85.5Confident82.9Confident136 Ų13697.2 Ų97.252%0.51550%0.498SS..Hα-helixtrans-61.6-43.2177.1-178.980.4000111.9T702 W703 A708 L709 L710T702-W706 WeakPolarHBondContact O-CB 3.47Å; T702-W706 PolarHBondContact O-N 3.36Å; W703-W706 HydrophobicContact CD2-CE3 4.43Å; W703-W706 AromaticContact CE3-CE3 3.83Å; W703-W706 HydrophobicContact CE3-CE3 3.83Å; W703-W706 HydrophobicContact CE3-CZ3 4.15Å; W703-W706 AromaticContact CH2-CE3 3.94Å; W703-W706 HydrophobicContact CH2-CE3 3.94Å; W703-W706 HydrophobicContact CH2-CH2 4.26Å; W703-W706 AromaticContact CH2-CZ3 3.41Å; W703-W706 HydrophobicContact CH2-CZ3 3.41Å; W703-W706 VanDerWaalsContact CH2-CZ3 3.41Å; W703-W706 HydrophobicContact CZ2-CZ3 4.15Å; W703-W706 HydrophobicContact CZ3-CD2 4.49Å; W703-W706 AromaticContact CZ3-CE3 3.56Å; W703-W706 HydrophobicContact CZ3-CE3 3.56Å; W703-W706 HydrophobicContact CZ3-CH2 4.2Å; W703-W706 AromaticContact CZ3-CZ3 3.41Å; W703-W706 HydrophobicContact CZ3-CZ3 3.41Å; W703-W706 VanDerWaalsContact CZ3-CZ3 3.41Å; W703-W706 PolarHBondContact O-N 2.96Å; W706-A708 VanDerWaalsContact C-N 3.33Å; W706-A708 PolarHBondContact O-N 3.06Å; W706-L709 PolarHBondContact O-N 3.36Å; W706-L710 HydrophobicContact CD2-CD1 3.72Å; W706-L710 HydrophobicContact CE3-CD1 3.85Å; W706-L710 HydrophobicContact CH2-CD1 3.23Å; W706-L710 HydrophobicContact CZ2-CD1 3.07Å; W706-L710 HydrophobicContact CZ3-CD1 3.61Å; W706-L710 PolarHBondContact O-N 3.36Å
707R86.9Confident81.6Confident154 Ų154102.7 Ų102.758%0.58152%0.517SS*.Hα-helixtrans-64.3-36.3176-168.8178.3-174-1792.7112.7W703 K704 K705 K711W703-R707 VanDerWaalsContact O-CB 3.3Å; W703-R707 WeakPolarHBondContact O-CB 3.32Å; W703-R707 PolarHBondContact O-N 2.91Å; K704-R707 PolarHBondContact O-N 3.14Å; K705-R707 PolarHBondContact O-N 3.22Å; R707-K711 PolarHBondContact O-N 2.53Å; R707-K711 VanDerWaalsContact O-N 3.12Å
708A83Confident80.2Confident59 Ų59106.2 Ų106.249%0.48853%0.531SS..Hα-helixtrans-67-42173.400000111.5K704 K705 W706 L710 K711 S712K704-A708 WeakPolarHBondContact O-CB 3.32Å; K704-A708 PolarHBondContact O-N 3.35Å; K705-A708 PolarHBondContact O-N 3.03Å; W706-A708 VanDerWaalsContact C-N 3.33Å; W706-A708 PolarHBondContact O-N 3.06Å; A708-L710 PolarHBondContact O-N 2.88Å; A708-K711 PolarHBondContact O-N 3.36Å; A708-S712 PolarHBondContact O-N 3.18Å; A708-S712 PolarHBondContact O-OG 2.88Å
709L82.1Confident78.5Confident100 Ų100108 Ų10852%0.52454%0.537SS..Hα-helixtrans-65-37176.5-172.9134.7000112.6K705 W706 S712 L713K705-L709 WeakPolarHBondContact O-CB 3.31Å; K705-L709 PolarHBondContact O-N 2.83Å; W706-L709 PolarHBondContact O-N 3.36Å; L709-S712 WeakPolarHBondContact CA-OG 3.47Å; L709-S712 PolarHBondContact O-N 3.49Å; L709-S712 PolarHBondContact O-OG 3.4Å; L709-L713 HydrophobicContact CD2-CD1 3.72Å; L709-L713 HydrophobicContact CD2-CG 4.47Å; L709-L713 WeakPolarHBondContact O-CG 3.23Å; L709-L713 PolarHBondContact O-N 3.43Å
710L79.8Confident76.8Confident78 Ų78109 Ų10941%0.40854%0.544SS..Hα-helixtrans-68.7-36174.3-119.1139.1000112.7W706 A708 L713 A714W706-L710 HydrophobicContact CD2-CD1 3.72Å; W706-L710 HydrophobicContact CE3-CD1 3.85Å; W706-L710 HydrophobicContact CH2-CD1 3.23Å; W706-L710 HydrophobicContact CZ2-CD1 3.07Å; W706-L710 HydrophobicContact CZ3-CD1 3.61Å; W706-L710 PolarHBondContact O-N 3.36Å; A708-L710 PolarHBondContact O-N 2.88Å; L710-L713 PolarHBondContact O-N 2.84Å; L710-A714 WeakPolarHBondContact O-CB 3.43Å; L710-A714 PolarHBondContact O-N 3.35Å
711K80.1Confident75Confident129 Ų129107.4 Ų107.456%0.56155%0.55SS*.Hα-helixtrans-64.3-44.1171.8-81.1-172.7170.9-162.10111.6R707 A708 L713 A714 E715R707-K711 PolarHBondContact O-N 2.53Å; R707-K711 VanDerWaalsContact O-N 3.12Å; A708-K711 PolarHBondContact O-N 3.36Å; K711-L713 VanDerWaalsContact C-N 3.33Å; K711-L713 PolarHBondContact O-N 3.01Å; K711-A714 PolarHBondContact O-N 3.03Å; K711-E715 WeakPolarHBondContact O-CB 3.33Å; K711-E715 WeakPolarHBondContact O-CG 3.45Å; K711-E715 PolarHBondContact O-N 3.13Å
712S76.3Confident73Confident61 Ų61112.1 Ų112.143%0.42757%0.57SS.*Hα-helixtrans-66.4-33.517760.30000112.9A708 L709 A716A708-S712 PolarHBondContact O-N 3.18Å; A708-S712 PolarHBondContact O-OG 2.88Å; L709-S712 WeakPolarHBondContact CA-OG 3.47Å; L709-S712 PolarHBondContact O-N 3.49Å; L709-S712 PolarHBondContact O-OG 3.4Å; S712-A716 WeakPolarHBondContact O-CB 3.49Å; S712-A716 PolarHBondContact O-N 2.96Å
713L75.4Confident70.8Confident99 Ų99115 Ų11552%0.51858%0.582SS.*Hα-helixtrans-69.7-38.9173.4-76.2170.7000112.1L709 L710 K711 E715 A716 E717L709-L713 HydrophobicContact CD2-CD1 3.72Å; L709-L713 HydrophobicContact CD2-CG 4.47Å; L709-L713 WeakPolarHBondContact O-CG 3.23Å; L709-L713 PolarHBondContact O-N 3.43Å; L710-L713 PolarHBondContact O-N 2.84Å; K711-L713 VanDerWaalsContact C-N 3.33Å; K711-L713 PolarHBondContact O-N 3.01Å; L713-E715 VanDerWaalsContact C-N 3.34Å; L713-A716 PolarHBondContact O-N 3Å; L713-E717 PolarHBondContact O-N 3.22Å
714A69.1Low68.6Low47 Ų47116.8 Ų116.839%0.38860%0.601SS.*Hα-helixtrans-67.6-34174.400000112.4L710 K711 L718L710-A714 WeakPolarHBondContact O-CB 3.43Å; L710-A714 PolarHBondContact O-N 3.35Å; K711-A714 PolarHBondContact O-N 3.03Å; A714-L718 WeakPolarHBondContact O-CD1 3.25Å; A714-L718 WeakPolarHBondContact O-CG 3.44Å; A714-L718 PolarHBondContact O-N 3.45Å
715E69.8Low66Low124 Ų124115.1 Ų115.158%0.57961%0.612SS**Hα-helixtrans-67.3-40.9171.4-74.8165.2-174.300111K711 L713 L718 D719K711-E715 WeakPolarHBondContact O-CB 3.33Å; K711-E715 WeakPolarHBondContact O-CG 3.45Å; K711-E715 PolarHBondContact O-N 3.13Å; L713-E715 VanDerWaalsContact C-N 3.34Å; E715-L718 PolarHBondContact O-N 2.63Å; E715-D719 PolarHBondContact O-N 3.13Å
716A65.7Low63.6Low42 Ų42112.1 Ų112.135%0.34762%0.618SS.*Hα-helixtrans-66.3-39.6175.400000113.6S712 L713 L718 D719 D720S712-A716 WeakPolarHBondContact O-CB 3.49Å; S712-A716 PolarHBondContact O-N 2.96Å; L713-A716 PolarHBondContact O-N 3Å; A716-L718 PolarHBondContact O-N 2.9Å; A716-D719 PolarHBondContact O-N 2.99Å; A716-D720 PolarHBondContact O-N 2.98Å
717E63Low61Low157 Ų157113.1 Ų113.173%0.73463%0.633SS**Hα-helixtrans-68.2-22.2174.1-78.7-169.3172.600113.3L713L713-E717 PolarHBondContact O-N 3.22Å
718L60.3Low58.6Low128 Ų128112.8 Ų112.867%0.6764%0.643SS**Hα-helixtrans-81.4-32.6173-84.1158.8000112A714 E715 A716A714-L718 WeakPolarHBondContact O-CD1 3.25Å; A714-L718 WeakPolarHBondContact O-CG 3.44Å; A714-L718 PolarHBondContact O-N 3.45Å; E715-L718 PolarHBondContact O-N 2.63Å; A716-L718 PolarHBondContact O-N 2.9Å
719D56.6Low56.5Low129 Ų129115.1 Ų115.169%0.6966%0.655SS**Hα-helixtrans-75-32.7174.8-77.7-14.2000112.3E715 A716 A721E715-D719 PolarHBondContact O-N 3.13Å; A716-D719 PolarHBondContact O-N 2.99Å; D719-A721 PolarHBondContact O-N 2.77Å
720D53.6Low54.5Low135 Ų135116.5 Ų116.572%0.72267%0.671SS**THydrogen-bonded Turntrans-75-0.2175.7-73.7-27.3000113.7A716A716-D720 PolarHBondContact O-N 2.98Å
721A51.2Low52.3Low79 Ų79116.9 Ų116.965%0.65369%0.685SS**THydrogen-bonded Turntrans-98.2-6.1-178.900000114.6D719D719-A721 PolarHBondContact O-N 2.77Å
722E45.9Very low49.8Very low179 Ų179119.1 Ų119.184%0.83670%0.702SS**SBendtrans-97.4-11.3178.7-77.5-165.3158.700115
723D43Very low47.6Very low140 Ų140121.4 Ų121.475%0.74972%0.718SS**SBendtrans-120.293.9176.7-80.5-33.2000110.7
724L39.3Very low45.7Very low182 Ų182120.9 Ų120.995%0.95373%0.728SS**  trans176.9107140.1-92.3161.6000111.7
725A33.8Very low44.2Very low98 Ų98125 Ų12581%0.8175%0.748SS**  trans-119.2131.2162.700000110.5
726A35.3Very low42.5Very low99 Ų99124.3 Ų124.382%0.81875%0.752SS**  trans66.4109.5167.900000117.8
727D32Very low40.8Very low157 Ų157132.3 Ų132.384%0.8477%0.773SS**  -171.5170.776.7-133-1.1000111.3
728D34.9Very low39.3Very low146 Ų146134.4 Ų134.478%0.78178%0.783SS**  trans-51.9156.9-153.3-81.9-39.1000123.9
729S39.2Very low37.9Very low108 Ų108139.1 Ų139.176%0.75579%0.792SS**  trans-54.3157.417155.80000117
730P41.1Very low36.5Very low130 Ų130136.6 Ų136.684%0.84480%0.797SS**  -136.9165.6106.838.2-27.7000115.7
731A32.1Very low35.8Very low86 Ų86135.5 Ų135.571%0.71180%0.799SS**  trans-82.3174.3-176.900000115.5
732L29.2Very low34.7Very low176 Ų176138.4 Ų138.492%0.92181%0.809SS**  trans85.4121.8168.2-61.7146.9000114.4
733S28.6Very low33.9Very low109 Ų109138.5 Ų138.576%0.76281%0.809SS**  cis-148144.440.658.50000114.7
734A36.8Very low33.4Very low88 Ų88140.2 Ų140.273%0.72782%0.817SS**  trans-82.4140.6153.400000110.8
735V37.3Very low32.7Very low132 Ų132136.8 Ų136.880%0.881%0.809SS**  trans-138.695.7147.4178.70000105
736V32.9Very low32.8Very low110 Ų110137 Ų13767%0.66781%0.805SS**  63.19687.7177.20000109.5
737R30.9Very low32.4Very low210 Ų210138.7 Ų138.779%0.79281%0.809SS**  70.599.792-160.3-169.8-149.6173.15.5111.5
738E30.9Very low32.5Very low201 Ų201140.2 Ų140.294%0.93981%0.811SS**  -129.498.4129.7-115-178.1-178.400108.5
739R32.2Very low32.4Very low227 Ų227142.1 Ų142.186%0.85782%0.815SS**  trans-74.8113.7158.2-81.9-174.5176.4-175-1.1106.3
740G26.7Very low32.3Very low77 Ų77142.8 Ų142.879%0.79482%0.817SS**  trans-108.896.7158.300000109.1
741S37.7Very low31.8Very low111 Ų111142.6 Ų142.678%0.77681%0.813SS**  trans-75.2117.6162.448.80000109.4
742V28.6Very low31.9Very low141 Ų141144 Ų14486%0.85582%0.815SS**  trans-147.3147.5152.9-173.80000109.9
743Q29.8Very low32Very low180 Ų180142 Ų14284%0.84181%0.809SS**  trans-61.1158.5-160.5-67.6158.6-46.700118.4
744L31.5Very low32.1Very low176 Ų176148 Ų14892%0.92182%0.815SS**  trans-52.2135.3155.6-77.2120.9000112.7
745S26Very low31.7Very low111 Ų111147.4 Ų147.478%0.77682%0.818SS**  trans-144.1117.2140.459.70000110.2
746S34.5Very low31.5Very low103 Ų103152.6 Ų152.672%0.7282%0.823SS**  trans5.3131.2157.757.80000119.5
747C28.3Very low32.2Very low133 Ų133152.8 Ų152.890%0.89983%0.827SS**  -165.2139.5110.5-101.30000111.8
748Q33.1Very low32.1Very low190 Ų190151.7 Ų151.789%0.88883%0.832SS**  trans-76.4137.5-177.8-69.2170.1-42.900111.8
749E32.6Very low31.9Very low186 Ų186146 Ų14687%0.86983%0.828SS**  trans-151.7125.7139.7-87-167.5169.700109.1
750P36.6Very low31.8Very low122 Ų122143.6 Ų143.679%0.79283%0.831SS**  trans-103.6119.7161.231.7-22.6000110.8P752P750-P752 WeakPolarHBondContact O-CD 3.47Å
751V31.9Very low31.8Very low126 Ų126144 Ų14476%0.76483%0.827SS**  trans-64.5123.3163.4174.40000109.6
752P33.3Very low31.3Very low115 Ų115146.6 Ų146.675%0.74783%0.831SS**  trans-96.1112.2170.732.1-25000111.2P750P750-P752 WeakPolarHBondContact O-CD 3.47Å
753V31Very low31.3Very low133 Ų133144.2 Ų144.281%0.80683%0.826SS**  trans-65.6132.4160.1176.30000108.8
754R31.1Very low31.2Very low237 Ų237141.7 Ų141.789%0.89483%0.829SS**  trans-128.8113.1163.7-82.6-167179.9-163.51.1111.4
755G27.9Very low31.1Very low75 Ų75137.3 Ų137.377%0.77382%0.817SS**  trans-74.9149162.800000112
756W33.9Very low31.4Very low241 Ų241137.5 Ų137.591%0.91382%0.816SS**  trans-74161.4162.7-84.749.1000109.3
757P48.3Very low31Very low114 Ų114138.1 Ų138.174%0.7482%0.82SS**  -160.1174.666.440.5-17000119.9
758M27.9Very low31.1Very low186 Ų186138 Ų13892%0.91681%0.81SS**  trans74.7133.8149.7-70.9-114-72.800121.6
759G27.1Very low30.8Very low82 Ų82135.9 Ų135.985%0.84581%0.81SS**  trans151.687.8159.900000114.9
760L30.8Very low30.8Very low176 Ų176132.2 Ų132.292%0.92180%0.8SS**  trans-98.5139.6163.2-122.1162.9000108.1
761A26.8Very low30.5Very low85 Ų85131.8 Ų131.870%0.70280%0.8SS**  trans102.6133.4152.700000120.6
762L26.2Very low30.5Very low167 Ų167133.1 Ų133.187%0.87480%0.802SS**  trans92.5109.3154.1-56.8179.4000120.7
763A29.4Very low30.8Very low90 Ų90132.8 Ų132.874%0.74480%0.798SS**  44.6113124.700000119.3
764S27.8Very low31.3Very low128 Ų128131.1 Ų131.190%0.89580%0.798SS**  176.8154.4124.937.80000110.3
765A27.8Very low31.9Very low83 Ų83125.1 Ų125.169%0.68679%0.788SS**  trans-52153.4-174.900000114.4S767A765-S767 PolarHBondContact O-N 2.81Å
766P32.4Very low32.5Very low116 Ų116123.6 Ų123.675%0.75377%0.772SS**  trans-80.1103.8168.132-28.2000109.3I768P766-I768 HydrophobicContact CB-CG1 4.28Å; P766-I768 PolarHBondContact O-N 2.89Å
767S26.3Very low32.8Very low115 Ų115119.1 Ų119.180%0.80476%0.759SS**  trans-68.6107.3148.236.90000107.7A765A765-S767 PolarHBondContact O-N 2.81Å
768I31.3Very low32.6Very low132 Ų132121.4 Ų121.468%0.67776%0.76SS**  trans-101.9104.2166-58.4179.7000107.2P766 V770P766-I768 HydrophobicContact CB-CG1 4.28Å; P766-I768 PolarHBondContact O-N 2.89Å; I768-V770 HydrophobicContact CG2-CG2 3.65Å; I768-V770 PolarHBondContact O-N 3.36Å
769T26.6Very low33.2Very low144 Ų144120.5 Ų120.588%0.88375%0.751SS**  trans-63.9112154.13.70000107.7
770V32.6Very low33.6Very low109 Ų109122.7 Ų122.766%0.66174%0.741SS**PPolyproline II helixtrans-97.7116.2175.3176.30000108.6I768I768-V770 HydrophobicContact CG2-CG2 3.65Å; I768-V770 PolarHBondContact O-N 3.36Å
771S30.2Very low34.2Very low114 Ų114118.7 Ų118.780%0.79772%0.719SS**PPolyproline II helixtrans-74.6122.6160.5530000109.2
772L31.9Very low35Very low154 Ų154118.4 Ų118.481%0.80671%0.712SS**PPolyproline II helixtrans-67.4129.7-173.8-75.5107.9000113.2
773T40.8Very low35.6Very low108 Ų108114.6 Ų114.666%0.66370%0.695SS**  trans-122.7137.8152.854.60000109.4T775 G776T773-T775 PolarHBondContact O-N 3.34Å; T773-G776 PolarHBondContact O-N 3.38Å
774A39.9Very low36.1Very low98 Ų98116.5 Ų116.581%0.8169%0.691SS**THydrogen-bonded Turntrans-59.1-10.1-167.900000116.2
775T43.4Very low36.9Very low111 Ų111115.5 Ų115.568%0.68168%0.679SS**THydrogen-bonded Turntrans-84.8-9.917653.30000113.9T773T773-T775 PolarHBondContact O-N 3.34Å
776G42Very low37.3Very low42 Ų42115.7 Ų115.743%0.43368%0.675SS.*Hα-helixtrans-79.5-24.5178.800000114.7T773 M780T773-G776 PolarHBondContact O-N 3.38Å; G776-M780 PolarHBondContact O-N 2.94Å
777F40.4Very low37.5Very low147 Ų147115.7 Ų115.765%0.64567%0.669SS**Hα-helixtrans-74.6-34.3-171.2-142.2-98.1000113I781F777-I781 HydrophobicContact CD1-CD1 3.86Å; F777-I781 HydrophobicContact CE1-CD1 4.02Å; F777-I781 WeakPolarHBondContact O-CG1 3.19Å; F777-I781 PolarHBondContact O-N 3.33Å
778Q42.4Very low38Very low163 Ų163118.3 Ų118.376%0.76267%0.673SS**Hα-helixtrans-73.9-30.4178.6-81.6179-25.900113.5S782Q778-S782 PolarHBondContact O-N 3.04Å
779K40.9Very low38.1Very low166 Ų166119.3 Ų119.372%0.72268%0.679SS**Hα-helixtrans-73.9-28.9176.3-82.8-178.7176175.50112.8V783K779-V783 WeakPolarHBondContact O-CG2 3.3Å; K779-V783 PolarHBondContact O-N 3.15Å
780M36.8Very low38.4Very low129 Ų129118.4 Ų118.464%0.63568%0.676SS**Hα-helixtrans-78.3-33.1-178.9-160.5133134.200112.6G776 V783 M784G776-M780 PolarHBondContact O-N 2.94Å; M780-V783 PolarHBondContact O-N 3.05Å; M780-M784 HydrophobicContact CG-CE 4.36Å; M780-M784 PolarHBondContact O-N 3.31Å; M780-M784 VanDerWaalsContact O-N 3.13Å
781I42.6Very low38.2Very low92 Ų92119 Ų11947%0.47269%0.685SS.*Hα-helixtrans-70.8-35.3175.8-65.4171.5000111.3F777 V783 M784 T785F777-I781 HydrophobicContact CD1-CD1 3.86Å; F777-I781 HydrophobicContact CE1-CD1 4.02Å; F777-I781 WeakPolarHBondContact O-CG1 3.19Å; F777-I781 PolarHBondContact O-N 3.33Å; I781-V783 VanDerWaalsContact C-N 3.27Å; I781-V783 PolarHBondContact O-N 2.95Å; I781-M784 PolarHBondContact O-N 2.91Å; I781-T785 PolarHBondContact O-N 3.42Å; I781-T785 VanDerWaalsContact O-N 3.15Å; I781-T785 PolarHBondContact O-OG1 3.04Å; I781-T785 VanDerWaalsContact O-OG1 3.12Å
782S42.4Very low38.1Very low79 Ų79124.8 Ų124.855%0.55269%0.69SS**Hα-helixtrans-68.6-23174.7-173.70000113.8Q778 T785Q778-S782 PolarHBondContact O-N 3.04Å; S782-T785 PolarHBondContact O-OG1 3.08Å
783V40.7Very low38Very low86 Ų86129.6 Ų129.652%0.52170%0.697SS.*Hα-helixtrans-85.6-35.1176.61730000110.5K779 M780 I781 S786K779-V783 WeakPolarHBondContact O-CG2 3.3Å; K779-V783 PolarHBondContact O-N 3.15Å; M780-V783 PolarHBondContact O-N 3.05Å; I781-V783 VanDerWaalsContact C-N 3.27Å; I781-V783 PolarHBondContact O-N 2.95Å; V783-S786 PolarHBondContact O-N 2.85Å; V783-S786 PolarHBondContact O-OG 2.73Å
784M38.3Very low37.4Very low131 Ų131127.7 Ų127.765%0.64570%0.698SS**Hα-helixtrans-72.1-27.7175.8-75.7-154.4-108.700114.1M780 I781 S786M780-M784 HydrophobicContact CG-CE 4.36Å; M780-M784 PolarHBondContact O-N 3.31Å; M780-M784 VanDerWaalsContact O-N 3.13Å; I781-M784 PolarHBondContact O-N 2.91Å; M784-S786 VanDerWaalsContact C-N 3.32Å
785T45.4Very low36.9Very low107 Ų107132.2 Ų132.266%0.65670%0.703SS**THydrogen-bonded Turntrans-76.3-17.9173.447.30000113.7I781 S782I781-T785 PolarHBondContact O-N 3.42Å; I781-T785 VanDerWaalsContact O-N 3.15Å; I781-T785 PolarHBondContact O-OG1 3.04Å; I781-T785 VanDerWaalsContact O-OG1 3.12Å; S782-T785 PolarHBondContact O-OG1 3.08Å
786S36.8Very low36.1Very low86 Ų86137.6 Ų137.660%0.60171%0.712SS**THydrogen-bonded Turntrans-87.5-2.5177.362.20000114.6V783 M784V783-S786 PolarHBondContact O-N 2.85Å; V783-S786 PolarHBondContact O-OG 2.73Å; M784-S786 VanDerWaalsContact C-N 3.32Å
787L36.7Very low35.3Very low117 Ų117145 Ų14561%0.61373%0.733SS**SBendtrans-118.786.8177.4-68.8168000108.9L789L787-L789 PolarHBondContact O-N 3.24Å
788N35.7Very low34.6Very low169 Ų169144 Ų14490%0.90474%0.738SS**  trans-55.291.8175.1-84-33.7000112
789L33.2Very low33.9Very low153 Ų153144.7 Ų144.780%0.80174%0.742SS**  trans-112.6140.2164-88.3155.7000108.5L787 S791L787-L789 PolarHBondContact O-N 3.24Å; L789-S791 PolarHBondContact O-N 3.21Å
790P32.8Very low33.1Very low126 Ų126142.3 Ų142.382%0.81874%0.741SS**  trans-78.8125.4-170.932-30.9000109.9
791S28.8Very low32.7Very low122 Ų122144.1 Ų144.185%0.85375%0.753SS**  trans-139.7143.8164.1-1680000111.5L789L789-S791 PolarHBondContact O-N 3.21Å
792R28.8Very low32Very low235 Ų235147.2 Ų147.289%0.88777%0.766SS**  trans-65.6153.7-166.4-76172.5162.6-179.1-5.9113.6
793R29.2Very low31.4Very low255 Ų255154.8 Ų154.896%0.96278%0.784SS**  trans-11.2125.6162.3-67.3-178.9-176.5-157.20.1116.3
794G28.5Very low30.9Very low67 Ų67158.9 Ų158.969%0.69180%0.795SS**  trans-164108.7157.400000108.8Y796G794-Y796 PolarHBondContact O-N 3.27Å
795E29.1Very low30.6Very low194 Ų194162.1 Ų162.191%0.90781%0.808SS**  trans-62.4124.5176.5-68.2172.8159.100110.2
796Y26.8Very low29.8Very low223 Ų223160.4 Ų160.488%0.87581%0.812SS**  trans-134114.8162.2-88.2-84.6000109.6G794G794-Y796 PolarHBondContact O-N 3.27Å
797K25.7Very low29.4Very low198 Ų198164.8 Ų164.886%0.86183%0.828SS**  trans-63.3131.5173.4-88177.6170.4179.70110.1
798V25.3Very low29Very low127 Ų127163.4 Ų163.477%0.7783%0.833SS**  trans-89.6121.6166.7175.40000107.5T800V798-T800 HydrophobicContact CG1-CG2 4.26Å
799E26.5Very low28.7Very low177 Ų177160.3 Ų160.383%0.82783%0.825SS**  trans-108.8121.2163.1-77.4-175.1176.600109.2
800T25.8Very low28.6Very low116 Ų116160.4 Ų160.471%0.71283%0.825SS**  trans-89.8118179.937.80000109.6V798V798-T800 HydrophobicContact CG1-CG2 4.26Å
801N27.2Very low28.4Very low166 Ų166165.6 Ų165.689%0.88883%0.828SS**  trans-95.1106.6164-82.8-22.8000110
802Q29.1Very low28.5Very low158 Ų158164.3 Ų164.374%0.73883%0.825SS**  trans-60.8134.5163.4-64.8175.6-5.700109.8
803Y29.9Very low28.6Very low237 Ų237164.1 Ų164.193%0.92982%0.824SS**  trans-140.9138.2145.4-106.6-82.4000111.3
804K29.1Very low28.8Very low173 Ų173158.2 Ų158.275%0.75282%0.819SS**  trans-91.7157.9-168.8-68.6170.9171.2173.90111.6
805Q32.2Very low28.9Very low198 Ų198167.1 Ų167.193%0.92583%0.831SS**  trans79.8125.8156.5-73.6174.7-21.800120.5
806G29.1Very low29.5Very low72 Ų72161 Ų16174%0.74282%0.82SS**  116.889.2127.200000119.3
807L29.1Very low29.9Very low177 Ų177155.6 Ų155.693%0.92782%0.815SS**  trans29.2126.4144.1-78.8148.3000121
808A27.2Very low30.3Very low88 Ų88152.5 Ų152.573%0.72781%0.813SS**  -170.6111.6118.500000111.5I810A808-I810 PolarHBondContact O-N 3.48Å
809S29.7Very low30.7Very low104 Ų104154.8 Ų154.873%0.72781%0.812SS**  trans-60.8125.1160.5163.60000109.8
810I30.9Very low31Very low156 Ų156152.1 Ų152.180%0.880%0.803SS**  trans-130.989160.3-55.5179.3000107.8A808 A812A808-I810 PolarHBondContact O-N 3.48Å; I810-A812 PolarHBondContact O-N 3.32Å
811R27.9Very low31.3Very low235 Ų235155 Ų15589%0.88781%0.808SS**  trans-70.8115.6158.2-84.6-175.9-173176.31.8108.3
812A31Very low31.8Very low95 Ų95156.2 Ų156.279%0.78580%0.802SS**PPolyproline II helixtrans-73.6126.2157.900000108.9I810I810-A812 PolarHBondContact O-N 3.32Å
813R31.9Very low32Very low231 Ų231157.8 Ų157.887%0.87281%0.809SS**PPolyproline II helixtrans-67147171-71.4-177.1176.9-177-1.1110R815R813-R815 PolarHBondContact O-N 2.85Å
814P32.7Very low32.3Very low131 Ų131157.8 Ų157.885%0.85181%0.807SS**PPolyproline II helixtrans-70.6116.8-179.928.7-31000109.7
815R31.6Very low33Very low253 Ų253153 Ų15396%0.95580%0.795SS**  trans-94.7104.9165-83.1-172.2171.8-178.8-1.2108.6R813R813-R815 PolarHBondContact O-N 2.85Å
816G40.4Very low33.5Very low66 Ų66149.7 Ų149.768%0.6879%0.791SS**  trans92.6142.1156.600000116.6V818G816-V818 PolarHBondContact O-N 2.81Å
817S35.2Very low34Very low109 Ų109152 Ų15276%0.76279%0.785SS**  trans-64120.2164.354.50000109.7K819S817-K819 PolarHBondContact O-N 3.32Å; S817-K819 VanDerWaalsContact O-N 3.14Å
818V34.4Very low34.7Very low133 Ų133150.8 Ų150.881%0.80678%0.779SS**  trans-73.3104.2170.5179.40000108G816 L820G816-V818 PolarHBondContact O-N 2.81Å; V818-L820 PolarHBondContact O-N 2.65Å
819K34.1Very low35.5Very low175 Ų175157.2 Ų157.276%0.76179%0.786SS**  trans-71.3106.8167.6-81.7-177.1176.81780108.7S817 H821S817-K819 PolarHBondContact O-N 3.32Å; S817-K819 VanDerWaalsContact O-N 3.14Å; K819-H821 PolarHBondContact O-N 3.46Å; K819-H821 VanDerWaalsContact O-N 3.16Å
820L32.8Very low36.1Very low122 Ų122155.3 Ų155.364%0.63978%0.777SS**  trans-71.2101.3166.2-86.7155.2000108.9V818 Y822V818-L820 PolarHBondContact O-N 2.65Å; L820-Y822 HydrophobicContact CB-CD2 4.16Å; L820-Y822 HydrophobicContact CB-CE2 3.68Å; L820-Y822 HydrophobicContact CD1-CE2 4.35Å; L820-Y822 HydrophobicContact CG-CE2 4.43Å; L820-Y822 PolarHBondContact O-N 2.9Å
821H32.8Very low36.4Very low176 Ų176154.9 Ų154.982%0.81578%0.776SS**  trans-75.997.8165.1-88.3-61.5000109.3K819 Q823K819-H821 PolarHBondContact O-N 3.46Å; K819-H821 VanDerWaalsContact O-N 3.16Å; H821-Q823 PolarHBondContact O-N 3.01Å
822Y35.7Very low36.8Very low192 Ų192152.5 Ų152.575%0.75378%0.777SS**  trans-75.4108.8164.9-68.5-82.9000108.6L820 R824L820-Y822 HydrophobicContact CB-CD2 4.16Å; L820-Y822 HydrophobicContact CB-CE2 3.68Å; L820-Y822 HydrophobicContact CD1-CE2 4.35Å; L820-Y822 HydrophobicContact CG-CE2 4.43Å; L820-Y822 PolarHBondContact O-N 2.9Å; Y822-R824 PolarHBondContact O-N 2.87Å
823Q35.3Very low36.9Very low190 Ų190155.5 Ų155.589%0.88878%0.775SS**PPolyproline II helixtrans-62.4122.5164.1-82.4-172.3-11.200108.4H821 S825H821-Q823 PolarHBondContact O-N 3.01Å; Q823-S825 PolarHBondContact O-N 3.31Å
824R36.2Very low37Very low238 Ų238150 Ų15090%0.89877%0.769SS**PPolyproline II helixtrans-53.8128.2173.1-88.3178.6165.5171-4.5109.7Y822Y822-R824 PolarHBondContact O-N 2.87Å
825S43.5Very low36.9Very low71 Ų71151.3 Ų151.350%0.49777%0.769SS.*PPolyproline II helixtrans-55.9134.7166.2174.30000109.3Q823 L827Q823-S825 PolarHBondContact O-N 3.31Å; S825-L827 PolarHBondContact O-N 3.21Å; S825-L827 PolarHBondContact OG-N 3.34Å
826P42.8Very low37.1Very low129 Ų129145.4 Ų145.484%0.83876%0.756SS**SBendtrans-74.614.5177.931.2-34.4000113.2
827L39.8Very low37.1Very low120 Ų120152.4 Ų152.463%0.62877%0.768SS**  trans-97.9102179.8-62.8173.2000109.4S825 Y829 A830S825-L827 PolarHBondContact O-N 3.21Å; S825-L827 PolarHBondContact OG-N 3.34Å; L827-Y829 PolarHBondContact O-N 2.97Å; L827-A830 HydrophobicContact CB-CB 4.36Å; L827-A830 PolarHBondContact O-N 2.94Å
828L42.1Very low36.9Very low153 Ų153151 Ų15180%0.80176%0.757SS**THydrogen-bonded Turntrans-54.6125163.3-84.6132.3000108.2
829Y43.7Very low36.8Very low222 Ų222152.6 Ų152.687%0.87176%0.762SS**THydrogen-bonded Turntrans89.120.1179.6-48-72000118.9L827L827-Y829 PolarHBondContact O-N 2.97Å
830A43.7Very low36.6Very low64 Ų64150.1 Ų150.153%0.52976%0.761SS.*  trans-101.732169.100000113.8L827L827-A830 HydrophobicContact CB-CB 4.36Å; L827-A830 PolarHBondContact O-N 2.94Å
831D37.5Very low36.5Very low147 Ų147150.9 Ų150.979%0.78677%0.771SS**  trans-104.4106.7173.6-70.6-33.8000110
832M34.8Very low36.5Very low185 Ų185145.6 Ų145.691%0.91176%0.764SS**  trans-126.484.4156-76.2-77.7-68.700106.1
833Q35Very low36.1Very low158 Ų158146.1 Ų146.174%0.73877%0.771SS**  trans-72.1144.7161.2-84.8-176.9-43.900109.1
834P32.1Very low35.8Very low115 Ų115145 Ų14575%0.74777%0.771SS**  trans-100.3147.8130.531.2-21.7000109
835D31.6Very low35.4Very low160 Ų160142.9 Ų142.986%0.85677%0.771SS**  trans-43.9137.6-167.7-65-61.4000116.9
836L35.6Very low34.7Very low129 Ų129147.3 Ų147.368%0.67579%0.788SS**  trans-112.899.6169.1-96.5157.8000109.9
837K39.5Very low34.1Very low213 Ų213148.9 Ų148.993%0.92679%0.788SS**  trans-12691.2135-90.3-171.7177.4179.30107.5
838S32.4Very low33.5Very low78 Ų78151.2 Ų151.255%0.54580%0.8SS.*  trans-158.3105.216147.10000109.8V840S838-V840 PolarHBondContact O-N 2.95Å
839D31.2Very low32.8Very low168 Ų168153.1 Ų153.190%0.89881%0.805SS**  trans-67.3115.2160.6-76.7-39.3000107.8
840V31.5Very low32Very low122 Ų122152.6 Ų152.674%0.73981%0.807SS**  trans-106.998.8170.9-178.40000108.7S838S838-V840 PolarHBondContact O-N 2.95Å
841T30.6Very low31.3Very low138 Ų138155.9 Ų155.985%0.84782%0.821SS**  trans-85.7128.9160.949.20000109.6
842G31.7Very low31.1Very low66 Ų66160.5 Ų160.568%0.6885%0.845SS**  trans118.694.8160.800000114.9
843F27.2Very low30.9Very low202 Ų202159.3 Ų159.389%0.88684%0.841SS**  trans-135.5105.7150.3-108.5-86.3000107.2
844N28.5Very low30.6Very low168 Ų168159.4 Ų159.490%0.89885%0.847SS**  trans-174.595.6150.5-89-21.6000108.1
845E28.7Very low30.6Very low192 Ų192161.8 Ų161.890%0.89785%0.852SS**  trans-150.4110.9147.1-140.7167.5-160.300109.3
846I29.5Very low30.5Very low165 Ų165161.9 Ų161.985%0.84685%0.852SS**  trans-93.7124161.1-70.1174000105.3
847L29.8Very low30.2Very low161 Ų161164 Ų16484%0.84386%0.863SS**  trans-49.6131.7172.6-70.7149.4000111.9
848L27.8Very low29.6Very low169 Ų169160.7 Ų160.789%0.88586%0.859SS**  trans-115.7119.9152.5-78170.1000107.7
849E26.7Very low29.4Very low194 Ų194166.6 Ų166.691%0.90788%0.881SS**  trans-55.8138.3168.2-71.5173.3149.900110.5
850K26Very low29.2Very low210 Ų210166.5 Ų166.591%0.91388%0.88SS**  trans-101.1121.9160.3-102.8-175.6175.6-178.10108.5
851T30.5Very low29Very low134 Ų134170.3 Ų170.382%0.82289%0.892SS**  trans-75.8114.2154.233.50000109.4
852L31.4Very low28.9Very low244 Ų244173.2 Ų173.2100%1.27790%0.896SS**  trans170.70130.9-92168.8000109.2

Retrieved 852 of 852 residues in 219 ms (Link to these results)

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