A0A2K5KXZ0_CERAT Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession A0A2K5KXZ0, Species CERAT (Cercocebus atys, Sooty mangabey), Gene KIF2A, Length 744 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
1M40.4Very low75Confident242 Ų24287.8 Ų87.8100%1.19250%0.495SS*.  0140.30-65.4149.5179.900106.1
2A46.9Very low75.6Confident96 Ų9684.2 Ų84.279%0.79349%0.492SS*.PPolyproline II helixtrans-72.1150.1162.500000108
3T60.2Low76.8Confident124 Ų12481.3 Ų81.376%0.76147%0.472SS*.PPolyproline II helixtrans-90.8124.3167.846.60000107.9N5T3-N5 PolarHBondContact O-N 3.42Å
4A71.3Confident77.8Confident16 Ų1685.7 Ų85.713%0.13248%0.479CS..PPolyproline II helixtrans-54.4130.6179.400000111.1F6 E37A4-F6 HydrophobicContact CB-CD2 4.39Å; A4-F6 HydrophobicContact CB-CE2 3.67Å; A4-F6 HydrophobicContact CB-CZ 4.16Å; A4-F6 WeakPolarHBondContact O-CD2 3.2Å; A4-F6 PolarHBondContact O-N 3.43Å; A4-E37 HydrophobicContact CB-CG 3.9Å
5N81.8Confident78.9Confident101 Ų10180.1 Ų80.154%0.5445%0.447SS..  trans-98.793.1-173.5-171.6-1.5000111.4T3 G7 P68T3-N5 PolarHBondContact O-N 3.42Å; N5-G7 PolarHBondContact O-N 2.81Å; N5-G7 PolarHBondContact OD1-N 3.36Å; N5-G7 VanDerWaalsContact OD1-N 3.12Å; N5-P68 HydrophobicContact CB-CG 4.47Å; N5-P68 WeakPolarHBondContact ND2-CB 3.08Å; N5-P68 VanDerWaalsContact ND2-CG 3.35Å; N5-P68 WeakPolarHBondContact ND2-CG 3.32Å
6F84.4Confident79.8Confident22 Ų2280.1 Ų80.110%0.09644%0.443CS..  trans-71.9-0.6178.5-65.8-90.7000114.4A4 K8 I9 L32 E34 V39 L56A4-F6 HydrophobicContact CB-CD2 4.39Å; A4-F6 HydrophobicContact CB-CE2 3.67Å; A4-F6 HydrophobicContact CB-CZ 4.16Å; A4-F6 WeakPolarHBondContact O-CD2 3.2Å; A4-F6 PolarHBondContact O-N 3.43Å; F6-K8 PolarHBondContact O-N 3.15Å; F6-I9 HydrophobicContact CB-CB 4.49Å; F6-I9 VanDerWaalsContact O-CB 3.25Å; F6-I9 WeakPolarHBondContact O-CB 3.44Å; F6-I9 VanDerWaalsContact O-CG1 3.28Å; F6-I9 WeakPolarHBondContact O-CG1 3.21Å; F6-I9 PolarHBondContact O-N 3.21Å; F6-L32 HydrophobicContact CD1-CB 4.1Å; F6-L32 HydrophobicContact CD1-CD1 4.15Å; F6-L32 HydrophobicContact CD1-CD2 3.85Å; F6-L32 HydrophobicContact CD1-CG 4.24Å; F6-L32 HydrophobicContact CE1-CB 3.79Å; F6-L32 HydrophobicContact CE1-CD2 4.18Å; F6-L32 HydrophobicContact CE1-CG 4.41Å; F6-L32 HydrophobicContact CG-CD1 4.2Å; F6-L32 HydrophobicContact CZ-CB 4.11Å; F6-E34 HydrophobicContact CE2-CG 3.98Å; F6-E34 HydrophobicContact CZ-CG 4.41Å; F6-V39 HydrophobicContact CD1-CG2 4.19Å; F6-V39 HydrophobicContact CE1-CG2 4.17Å; F6-L56 HydrophobicContact CD1-CD1 3.92Å; F6-L56 HydrophobicContact CD1-CD2 3.74Å; F6-L56 HydrophobicContact CD1-CG 4.24Å; F6-L56 HydrophobicContact CE1-CD1 3.83Å; F6-L56 HydrophobicContact CE1-CD2 4.17Å; F6-L56 HydrophobicContact CE1-CG 4.2Å; F6-L56 HydrophobicContact CG-CD1 4.34Å; F6-L56 HydrophobicContact CG-CD2 4.48Å; F6-L56 HydrophobicContact CZ-CD1 4.2Å
7G85.6Confident80.6Confident35 Ų3575.5 Ų75.536%0.36142%0.417SS..THydrogen-bonded Turntrans58.5-119.6178.300000112.4N5N5-G7 PolarHBondContact O-N 2.81Å; N5-G7 PolarHBondContact OD1-N 3.36Å; N5-G7 VanDerWaalsContact OD1-N 3.12Å
8K86.1Confident81Confident83 Ų8378.2 Ų78.236%0.36142%0.424SS..THydrogen-bonded Turntrans-97.86.4177.4-63.6144.9-173.3146.80112.9F6 D65 L66 V67 D69F6-K8 PolarHBondContact O-N 3.15Å; K8-D65 VanDerWaalsContact CD-O 3.28Å; K8-D65 WeakPolarHBondContact CD-O 2.94Å; K8-L66 HydrophobicContact CB-CD2 4.1Å; K8-L66 PolarHBondContact N-O 3.48Å; K8-V67 PolarHBondContact NZ-O 3.44Å; K8-D69 VanDerWaalsContact CE-OD2 3.25Å; K8-D69 WeakPolarHBondContact CE-OD2 3.3Å; K8-D69 VanDerWaalsContact NZ-CG 3.29Å; K8-D69 IonicContact NZ-OD1 2.73Å; K8-D69 PolarHBondContact NZ-OD1 3.14Å; K8-D69 IonicContact NZ-OD2 3.26Å; K8-D69 PolarHBondContact NZ-OD2 3Å
9I88.9Confident81Confident5 Ų577.5 Ų77.53%0.02641%0.414CS..  trans-75.4130.8-178.3-54.1167.6000110.4F6 I13 V29 L32 V39 L56 I59 F60 L66F6-I9 HydrophobicContact CB-CB 4.49Å; F6-I9 VanDerWaalsContact O-CB 3.25Å; F6-I9 WeakPolarHBondContact O-CB 3.44Å; F6-I9 VanDerWaalsContact O-CG1 3.28Å; F6-I9 WeakPolarHBondContact O-CG1 3.21Å; F6-I9 PolarHBondContact O-N 3.21Å; I9-I13 HydrophobicContact CB-CD1 4.46Å; I9-I13 HydrophobicContact CG2-CD1 4.27Å; I9-V29 HydrophobicContact CG2-CG1 4.39Å; I9-V29 HydrophobicContact CG2-CG2 4.01Å; I9-L32 HydrophobicContact CG2-CD2 3.97Å; I9-V39 HydrophobicContact CG2-CG1 4.39Å; I9-V39 HydrophobicContact CG2-CG2 4.44Å; I9-L56 HydrophobicContact CD1-CD2 3.64Å; I9-I59 HydrophobicContact CD1-CG2 3.68Å; I9-F60 HydrophobicContact CD1-CD1 4.19Å; I9-F60 HydrophobicContact CD1-CE1 3.56Å; I9-F60 HydrophobicContact CD1-CZ 3.98Å; I9-F60 HydrophobicContact CG1-CE1 4.18Å; I9-L66 HydrophobicContact CG1-CB 4.14Å; I9-L66 HydrophobicContact CG1-CD1 4.17Å
10Q88.6Confident80.8Confident129 Ų12980.5 Ų80.560%0.60344%0.442SS*.  trans-142.3154.6179.8-61.6-175.27.100111.1G12 I13Q10-G12 PolarHBondContact O-N 3.3Å; Q10-I13 HydrophobicContact CB-CG2 4.21Å; Q10-I13 WeakPolarHBondContact O-CG1 3.41Å; Q10-I13 PolarHBondContact O-N 3.31Å
11I91.1Very high80.7Confident113 Ų11380.1 Ų80.158%0.57944%0.439SS*.THydrogen-bonded Turntrans-61.8129.7175.7-60.2175.7000109.8L32I11-L32 HydrophobicContact CG1-CG 4.18Å
12G81.8Confident82.4Confident44 Ų4470.4 Ų70.445%0.45440%0.402SS..THydrogen-bonded Turntrans93-1-177.900000115.8Q10 V29Q10-G12 PolarHBondContact O-N 3.3Å; G12-V29 PolarHBondContact N-O 3.16Å
13I90.9Very high84.1Confident47 Ų4773.8 Ų73.824%0.24139%0.394CS..  trans-83.3159167.582.1174.6000110.9I9 Q10 V15 M28 V29 L66I9-I13 HydrophobicContact CB-CD1 4.46Å; I9-I13 HydrophobicContact CG2-CD1 4.27Å; Q10-I13 HydrophobicContact CB-CG2 4.21Å; Q10-I13 WeakPolarHBondContact O-CG1 3.41Å; Q10-I13 PolarHBondContact O-N 3.31Å; I13-V15 HydrophobicContact CD1-CG1 4Å; I13-V15 HydrophobicContact CG1-CG1 4.04Å; I13-M28 CarbonylContact O-C 3.45Å; I13-M28 WeakPolarHBondContact O-CA 3.16Å; I13-V29 HydrophobicContact CG1-CG2 3.98Å; I13-V29 PolarHBondContact O-N 3.17Å; I13-L66 HydrophobicContact CD1-CD1 3.9Å; I13-L66 HydrophobicContact CD1-CD2 4.29Å
14Y92Very high85.5Confident143 Ų14372.1 Ų72.156%0.56138%0.379SS*.EExtended strand (participates in β ladder)trans-97139169-71-94.9000110.4Q26 A27 M28Y14-Q26 HydrophobicContact CD1-CB 4.43Å; Y14-A27 CarbonylContact C-O 3.58Å; Y14-A27 WeakPolarHBondContact CA-O 3.22Å; Y14-M28 HydrophobicContact CD1-CB 4.06Å; Y14-M28 HydrophobicContact CE1-CB 3.74Å; Y14-M28 HydrophobicContact CE1-CG 4.47Å; Y14-M28 HydrophobicContact CE2-CG 4.48Å
15V93.4Very high86.4Confident1 Ų173.6 Ų73.61%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-129.8146.6177-63.10000110.1I13 I17 Q26 A27 V29 V41 I59 N63 L66I13-V15 HydrophobicContact CD1-CG1 4Å; I13-V15 HydrophobicContact CG1-CG1 4.04Å; V15-I17 HydrophobicContact CG2-CG2 3.9Å; V15-Q26 WeakPolarHBondContact O-CA 3.31Å; V15-A27 PolarHBondContact N-O 3.06Å; V15-A27 PolarHBondContact O-N 3.05Å; V15-V29 HydrophobicContact CG1-CG2 3.93Å; V15-V29 HydrophobicContact CG2-CG2 3.98Å; V15-V41 HydrophobicContact CG2-CG1 3.82Å; V15-I59 HydrophobicContact CB-CG2 4.46Å; V15-I59 HydrophobicContact CG1-CG2 4.43Å; V15-I59 HydrophobicContact CG2-CD1 4.19Å; V15-N63 WeakPolarHBondContact CA-OD1 3.39Å; V15-L66 HydrophobicContact CG1-CD1 3.61Å
16E94.1Very high86.9Confident81 Ų8174.6 Ų74.638%0.37939%0.385SS..EExtended strand (participates in β ladder)trans-77.7128.7172.8-64-156.9171.700110.8I24 H25 Q26 N63E16-I24 HydrophobicContact CB-CG2 3.91Å; E16-I24 WeakPolarHBondContact OE2-CG2 3.36Å; E16-H25 WeakPolarHBondContact CA-O 3.25Å; E16-Q26 HydrophobicContact CG-CG 4.07Å; E16-N63 PolarHBondContact N-OD1 3.22Å; E16-N63 PolarHBondContact O-ND2 3.21Å
17I92.9Very high87.4Confident2 Ų273.5 Ų73.51%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-129.1142.1-177.871.9168.1000111.1V15 I24 H25 A27 V41 W43 I54 I59V15-I17 HydrophobicContact CG2-CG2 3.9Å; I17-I24 WeakPolarHBondContact O-CA 3.21Å; I17-H25 WeakPolarHBondContact CD1-NE2 3.44Å; I17-H25 WeakPolarHBondContact CG1-CE1 2.92Å; I17-H25 WeakPolarHBondContact CG1-NE2 3.49Å; I17-H25 PolarHBondContact N-O 2.7Å; I17-H25 PolarHBondContact O-CE1 3.33Å; I17-H25 PolarHBondContact O-N 2.85Å; I17-H25 VanDerWaalsContact O-N 3.07Å; I17-H25 PolarHBondContact O-ND1 3.14Å; I17-A27 HydrophobicContact CD1-CB 3.55Å; I17-A27 HydrophobicContact CG1-CB 4.01Å; I17-A27 HydrophobicContact CG2-CB 4.37Å; I17-V41 HydrophobicContact CD1-CG2 3.8Å; I17-V41 HydrophobicContact CG2-CG2 4.27Å; I17-W43 HydrophobicContact CD1-CD2 4.49Å; I17-W43 HydrophobicContact CD1-CE3 3.72Å; I17-W43 HydrophobicContact CD1-CH2 4.43Å; I17-W43 HydrophobicContact CD1-CZ3 3.7Å; I17-I54 HydrophobicContact CB-CD1 3.79Å; I17-I54 HydrophobicContact CD1-CD1 3.95Å; I17-I54 HydrophobicContact CG1-CD1 4.46Å; I17-I54 HydrophobicContact CG2-CD1 3.8Å; I17-I59 HydrophobicContact CG2-CD1 3.78Å
18K87.9Confident87.8Confident123 Ų12375 Ų7554%0.53538%0.378SS..EExtended strand (participates in β ladder)trans-98.5129.8179.2-170174.6179.4-177.90111.4R23 I24 L62K18-R23 WeakPolarHBondContact CA-O 3.32Å; K18-I24 HydrophobicContact CB-CG1 4.21Å; K18-I24 HydrophobicContact CG-CG1 4.18Å; K18-L62 HydrophobicContact CB-CD1 3.72Å; K18-L62 HydrophobicContact CB-CD2 4.45Å
19R81.3Confident88.2Confident65 Ų6571 Ų7125%0.24536%0.361CS..  trans-86.1166.2179.3-68.1175.263.9132.71111.9D21 G22 R23 H25 E45R19-D21 WeakPolarHBondContact CB-OD1 3.38Å; R19-D21 IonicContact NE-OD1 3.82Å; R19-D21 PolarHBondContact O-N 2.6Å; R19-G22 WeakPolarHBondContact O-CA 3.41Å; R19-G22 PolarHBondContact O-N 3.16Å; R19-R23 PolarHBondContact N-O 3.14Å; R19-H25 WeakPolarHBondContact CG-NE2 3.43Å; R19-E45 IonicContact CZ-OE1 3.63Å; R19-E45 IonicContact CZ-OE2 2.8Å; R19-E45 IonicContact NH1-OE1 2.83Å; R19-E45 PolarHBondContact NH1-OE1 2.94Å; R19-E45 IonicContact NH1-OE2 2.93Å; R19-E45 PolarHBondContact NH1-OE2 3Å; R19-E45 IonicContact NH2-OE1 3.96Å; R19-E45 PolarHBondContact NH2-OE1 3.5Å; R19-E45 IonicContact NH2-OE2 2.77Å; R19-E45 PolarHBondContact NH2-OE2 3.5Å
20S77.1Confident88.4Confident137 Ų13772.6 Ų72.696%0.95837%0.371SS*.THydrogen-bonded Turntrans-63.1-24.9173.445.10000113.8G22S20-G22 PolarHBondContact O-N 2.87Å
21D77.1Confident88.6Confident73 Ų7368.7 Ų68.739%0.3936%0.358SS..THydrogen-bonded Turntrans-82.56.2170.472-9.6000113.4R19 R23R19-D21 WeakPolarHBondContact CB-OD1 3.38Å; R19-D21 IonicContact NE-OD1 3.82Å; R19-D21 PolarHBondContact O-N 2.6Å; D21-R23 VanDerWaalsContact C-N 3.29Å; D21-R23 PolarHBondContact O-N 2.85Å; D21-R23 WeakPolarHBondContact OD1-CB 3.37Å; D21-R23 WeakPolarHBondContact OD1-CG 3.18Å; D21-R23 PolarHBondContact OD1-N 3.21Å; D21-R23 VanDerWaalsContact OD2-CD 3.29Å; D21-R23 WeakPolarHBondContact OD2-CD 3.48Å; D21-R23 IonicContact OD2-CZ 2.73Å; D21-R23 IonicContact OD2-NE 2.76Å; D21-R23 PolarHBondContact OD2-NE 3.08Å; D21-R23 IonicContact OD2-NH1 3.24Å; D21-R23 PolarHBondContact OD2-NH1 2.93Å
22G77.6Confident88.6Confident39 Ų3966.1 Ų66.140%0.40235%0.345SS..SBendtrans82-6.8178.200000115.4R19 S20R19-G22 WeakPolarHBondContact O-CA 3.41Å; R19-G22 PolarHBondContact O-N 3.16Å; S20-G22 PolarHBondContact O-N 2.87Å
23R82.1Confident89Confident166 Ų16665.9 Ų65.963%0.62633%0.333SS*.  trans-70.3142.4179.5-64.2-179.3-179133.33.8111.7K18 R19 D21K18-R23 WeakPolarHBondContact CA-O 3.32Å; R19-R23 PolarHBondContact N-O 3.14Å; D21-R23 VanDerWaalsContact C-N 3.29Å; D21-R23 PolarHBondContact O-N 2.85Å; D21-R23 WeakPolarHBondContact OD1-CB 3.37Å; D21-R23 WeakPolarHBondContact OD1-CG 3.18Å; D21-R23 PolarHBondContact OD1-N 3.21Å; D21-R23 VanDerWaalsContact OD2-CD 3.29Å; D21-R23 WeakPolarHBondContact OD2-CD 3.48Å; D21-R23 IonicContact OD2-CZ 2.73Å; D21-R23 IonicContact OD2-NE 2.76Å; D21-R23 PolarHBondContact OD2-NE 3.08Å; D21-R23 IonicContact OD2-NH1 3.24Å; D21-R23 PolarHBondContact OD2-NH1 2.93Å
24I90.2Very high88.8Confident89 Ų8970.4 Ų70.446%0.45635%0.353SS..EExtended strand (participates in β ladder)trans-103.2138.1171.9-60.1170.6000108.4E16 I17 K18 L62E16-I24 HydrophobicContact CB-CG2 3.91Å; E16-I24 WeakPolarHBondContact OE2-CG2 3.36Å; I17-I24 WeakPolarHBondContact O-CA 3.21Å; K18-I24 HydrophobicContact CB-CG1 4.21Å; K18-I24 HydrophobicContact CG-CG1 4.18Å; I24-L62 HydrophobicContact CD1-CD2 3.95Å; I24-L62 HydrophobicContact CG1-CD2 4.41Å
25H89.9Confident88.2Confident48 Ų4870.9 Ų70.922%0.22237%0.366CS..EExtended strand (participates in β ladder)trans-156.7164.6176.369.7-46.1000110.8E16 I17 R19 W43E16-H25 WeakPolarHBondContact CA-O 3.25Å; I17-H25 WeakPolarHBondContact CD1-NE2 3.44Å; I17-H25 WeakPolarHBondContact CG1-CE1 2.92Å; I17-H25 WeakPolarHBondContact CG1-NE2 3.49Å; I17-H25 PolarHBondContact N-O 2.7Å; I17-H25 PolarHBondContact O-CE1 3.33Å; I17-H25 PolarHBondContact O-N 2.85Å; I17-H25 VanDerWaalsContact O-N 3.07Å; I17-H25 PolarHBondContact O-ND1 3.14Å; R19-H25 WeakPolarHBondContact CG-NE2 3.43Å; H25-W43 AromaticContact CD2-CD1 3.99Å
26Q92.8Very high87.7Confident121 Ų12176 Ų7657%0.56539%0.393SS*.EExtended strand (participates in β ladder)trans-84.2137.3177.8-70.1179.8-2.800112.1Y14 V15 E16Y14-Q26 HydrophobicContact CD1-CB 4.43Å; V15-Q26 WeakPolarHBondContact O-CA 3.31Å; E16-Q26 HydrophobicContact CG-CG 4.07Å
27A93.2Very high87.5Confident0 Ų077.3 Ų77.30%040%0.399CS..EExtended strand (participates in β ladder)trans-131.5149.9170.400000110.1Y14 V15 I17 V41 E42 W43Y14-A27 CarbonylContact C-O 3.58Å; Y14-A27 WeakPolarHBondContact CA-O 3.22Å; V15-A27 PolarHBondContact N-O 3.06Å; V15-A27 PolarHBondContact O-N 3.05Å; I17-A27 HydrophobicContact CD1-CB 3.55Å; I17-A27 HydrophobicContact CG1-CB 4.01Å; I17-A27 HydrophobicContact CG2-CB 4.37Å; A27-V41 HydrophobicContact CB-CB 3.83Å; A27-V41 HydrophobicContact CB-CG2 4.08Å; A27-E42 CarbonylContact C-O 3.55Å; A27-E42 WeakPolarHBondContact CA-O 3.43Å; A27-W43 HydrophobicContact CB-CB 4.08Å; A27-W43 HydrophobicContact CB-CE3 4.05Å
28M94.5Very high87.5Confident65 Ų6577.5 Ų77.532%0.3240%0.401SS..EExtended strand (participates in β ladder)trans-88.1132.1-179.5-175.3177.165.500110.4I13 Y14 T30 V41 E42I13-M28 CarbonylContact O-C 3.45Å; I13-M28 WeakPolarHBondContact O-CA 3.16Å; Y14-M28 HydrophobicContact CD1-CB 4.06Å; Y14-M28 HydrophobicContact CE1-CB 3.74Å; Y14-M28 HydrophobicContact CE1-CG 4.47Å; Y14-M28 HydrophobicContact CE2-CG 4.48Å; M28-T30 HydrophobicContact CE-CG2 3.98Å; M28-T30 PolarHBondContact O-N 3.17Å; M28-V41 CarbonylContact O-C 3.6Å; M28-V41 VanDerWaalsContact O-CA 3.24Å; M28-V41 WeakPolarHBondContact O-CA 3.41Å; M28-E42 PolarHBondContact N-O 2.94Å; M28-E42 PolarHBondContact O-N 2.93Å
29V94.8Very high87.7Confident1 Ų171.7 Ų71.71%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-70.6120174.8178.50000110.1I9 G12 I13 V15 L32 V39 V41I9-V29 HydrophobicContact CG2-CG1 4.39Å; I9-V29 HydrophobicContact CG2-CG2 4.01Å; G12-V29 PolarHBondContact N-O 3.16Å; I13-V29 HydrophobicContact CG1-CG2 3.98Å; I13-V29 PolarHBondContact O-N 3.17Å; V15-V29 HydrophobicContact CG1-CG2 3.93Å; V15-V29 HydrophobicContact CG2-CG2 3.98Å; V29-L32 HydrophobicContact CG1-CD2 3.72Å; V29-V39 HydrophobicContact CB-CG1 4.27Å; V29-V39 HydrophobicContact CG1-CG1 3.57Å; V29-V39 HydrophobicContact CG2-CG1 3.85Å; V29-V41 HydrophobicContact CG2-CG1 4.15Å
30T92.7Very high88.3Confident37 Ų3770.2 Ų70.223%0.22737%0.374CS..EExtended strand (participates in β ladder)trans-107.8-26.7179.957.60000113.9M28 T40 E42M28-T30 HydrophobicContact CE-CG2 3.98Å; M28-T30 PolarHBondContact O-N 3.17Å; T30-T40 PolarHBondContact N-O 3.1Å; T30-E42 WeakPolarHBondContact CB-OE1 3.37Å; T30-E42 HydrophobicContact CG2-CB 3.94Å; T30-E42 HydrophobicContact CG2-CG 3.97Å; T30-E42 WeakPolarHBondContact CG2-OE1 3.43Å; T30-E42 PolarHBondContact OG1-OE1 2.84Å
31S92.2Very high89.2Confident48 Ų4863.7 Ų63.734%0.33633%0.328SS..EExtended strand (participates in β ladder)trans-152.9157.7166.759.70000113.2T40S31-T40 PolarHBondContact N-O 2.89Å; S31-T40 PolarHBondContact O-N 2.81Å; S31-T40 VanDerWaalsContact OG-CB 3.31Å; S31-T40 WeakPolarHBondContact OG-CB 3.28Å; S31-T40 PolarHBondContact OG-OG1 3.47Å; S31-T40 VanDerWaalsContact OG-OG1 3.09Å
32L92.4Very high90Very high58 Ų5863.6 Ų63.630%0.30433%0.325SS..EExtended strand (participates in β ladder)trans-110.9135.9174-53.5-178.8000107.8F6 I9 I11 V29 V39F6-L32 HydrophobicContact CD1-CB 4.1Å; F6-L32 HydrophobicContact CD1-CD1 4.15Å; F6-L32 HydrophobicContact CD1-CD2 3.85Å; F6-L32 HydrophobicContact CD1-CG 4.24Å; F6-L32 HydrophobicContact CE1-CB 3.79Å; F6-L32 HydrophobicContact CE1-CD2 4.18Å; F6-L32 HydrophobicContact CE1-CG 4.41Å; F6-L32 HydrophobicContact CG-CD1 4.2Å; F6-L32 HydrophobicContact CZ-CB 4.11Å; I9-L32 HydrophobicContact CG2-CD2 3.97Å; I11-L32 HydrophobicContact CG1-CG 4.18Å; V29-L32 HydrophobicContact CG1-CD2 3.72Å; L32-V39 HydrophobicContact CD2-CG1 4.1Å; L32-V39 HydrophobicContact CD2-CG2 4.21Å
33N89.4Confident90.8Very high39 Ų3963.5 Ų63.521%0.20931%0.313CS..EExtended strand (participates in β ladder)trans-120.497.6-176.1-178.65.7000110.1D35 N36 E37 S38 E53N33-D35 VanDerWaalsContact C-N 3.29Å; N33-D35 PolarHBondContact O-N 3.12Å; N33-D35 PolarHBondContact OD1-N 3.22Å; N33-N36 PolarHBondContact ND2-ND2 2.93Å; N33-N36 VanDerWaalsContact ND2-ND2 3.16Å; N33-E37 PolarHBondContact O-N 3.19Å; N33-S38 WeakPolarHBondContact CB-OG 3.39Å; N33-S38 PolarHBondContact N-O 3.46Å; N33-S38 PolarHBondContact ND2-OG 2.94Å; N33-S38 PolarHBondContact O-N 3.04Å; N33-E53 PolarHBondContact ND2-OE1 3.24Å
34E86.8Confident91Very high142 Ų14262 Ų6266%0.66432%0.316SS*.THydrogen-bonded Turntrans-67.4-26.3-175.3-53.1-168.4175.500113.2F6F6-E34 HydrophobicContact CE2-CG 3.98Å; F6-E34 HydrophobicContact CZ-CG 4.41Å
35D80.7Confident90.7Very high154 Ų15460 Ų6082%0.82430%0.304SS*.THydrogen-bonded Turntrans-76.4-26.6-176.7-72.8-41.5000113.1N33N33-D35 VanDerWaalsContact C-N 3.29Å; N33-D35 PolarHBondContact O-N 3.12Å; N33-D35 PolarHBondContact OD1-N 3.22Å
36N82.8Confident90.1Very high108 Ų10865.3 Ų65.358%0.57834%0.335SS*.THydrogen-bonded Turntrans-116.54.5-175.6-69.2-14.5000114N33 S38N33-N36 PolarHBondContact ND2-ND2 2.93Å; N33-N36 VanDerWaalsContact ND2-ND2 3.16Å; N36-S38 VanDerWaalsContact C-N 3.28Å; N36-S38 PolarHBondContact O-N 2.97Å
37E88.9Confident89.1Confident109 Ų10962.8 Ų62.851%0.50934%0.341SS..THydrogen-bonded Turntrans51.843.6-174.2-56.4-159.613800113.3A4 N33 L56A4-E37 HydrophobicContact CB-CG 3.9Å; N33-E37 PolarHBondContact O-N 3.19Å; E37-L56 HydrophobicContact CB-CD1 4.21Å; E37-L56 WeakPolarHBondContact O-CB 3.47Å; E37-L56 VanDerWaalsContact O-CG 3.31Å; E37-L56 WeakPolarHBondContact O-CG 3.45Å; E37-L56 PolarHBondContact O-N 2.97Å
38S92.2Very high88Confident6 Ų667.1 Ų67.14%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-131.8161.5-170.762.40000113.8N33 N36 E53 I54N33-S38 WeakPolarHBondContact CB-OG 3.39Å; N33-S38 PolarHBondContact N-O 3.46Å; N33-S38 PolarHBondContact ND2-OG 2.94Å; N33-S38 PolarHBondContact O-N 3.04Å; N36-S38 VanDerWaalsContact C-N 3.28Å; N36-S38 PolarHBondContact O-N 2.97Å; S38-E53 PolarHBondContact OG-OE1 2.91Å; S38-I54 CarbonylContact C-O 3.58Å; S38-I54 WeakPolarHBondContact CA-O 3.48Å; S38-I54 WeakPolarHBondContact CB-O 3.25Å
39V92.6Very high87.7Confident0 Ų068.4 Ų68.40%038%0.376CS..EExtended strand (participates in β ladder)trans-127.4125-176.8-176.80000108.5F6 I9 V29 L32 V41 I54 L56 I59F6-V39 HydrophobicContact CD1-CG2 4.19Å; F6-V39 HydrophobicContact CE1-CG2 4.17Å; I9-V39 HydrophobicContact CG2-CG1 4.39Å; I9-V39 HydrophobicContact CG2-CG2 4.44Å; V29-V39 HydrophobicContact CB-CG1 4.27Å; V29-V39 HydrophobicContact CG1-CG1 3.57Å; V29-V39 HydrophobicContact CG2-CG1 3.85Å; L32-V39 HydrophobicContact CD2-CG1 4.1Å; L32-V39 HydrophobicContact CD2-CG2 4.21Å; V39-V41 HydrophobicContact CG1-CG1 3.92Å; V39-I54 PolarHBondContact N-O 3.41Å; V39-I54 PolarHBondContact O-N 3.16Å; V39-L56 HydrophobicContact CG2-CD2 3.72Å; V39-L56 HydrophobicContact CG2-CG 4.27Å; V39-I59 HydrophobicContact CB-CG1 4.49Å
40T95.2Very high87.2Confident34 Ų3472 Ų7221%0.20939%0.391CS..EExtended strand (participates in β ladder)trans-85.5128.5169.5-48.30000109.6T30 S31 K52T30-T40 PolarHBondContact N-O 3.1Å; S31-T40 PolarHBondContact N-O 2.89Å; S31-T40 PolarHBondContact O-N 2.81Å; S31-T40 VanDerWaalsContact OG-CB 3.31Å; S31-T40 WeakPolarHBondContact OG-CB 3.28Å; S31-T40 PolarHBondContact OG-OG1 3.47Å; S31-T40 VanDerWaalsContact OG-OG1 3.09Å; T40-K52 WeakPolarHBondContact CA-O 3.3Å
41V94.3Very high87.1Confident0 Ų072.8 Ų72.80%041%0.406CS..EExtended strand (participates in β ladder)trans-127.3144.9-179.1-63.20000111.2V15 I17 A27 M28 V29 V39 W43 G51 K52 I54V15-V41 HydrophobicContact CG2-CG1 3.82Å; I17-V41 HydrophobicContact CD1-CG2 3.8Å; I17-V41 HydrophobicContact CG2-CG2 4.27Å; A27-V41 HydrophobicContact CB-CB 3.83Å; A27-V41 HydrophobicContact CB-CG2 4.08Å; M28-V41 CarbonylContact O-C 3.6Å; M28-V41 VanDerWaalsContact O-CA 3.24Å; M28-V41 WeakPolarHBondContact O-CA 3.41Å; V29-V41 HydrophobicContact CG2-CG1 4.15Å; V39-V41 HydrophobicContact CG1-CG1 3.92Å; V41-W43 HydrophobicContact CG2-CZ3 4.49Å; V41-G51 CarbonylContact O-C 3.57Å; V41-G51 VanDerWaalsContact O-CA 3.28Å; V41-G51 WeakPolarHBondContact O-CA 3.4Å; V41-K52 WeakPolarHBondContact CG2-O 3.48Å; V41-K52 PolarHBondContact N-O 2.83Å; V41-K52 PolarHBondContact O-N 3.34Å; V41-I54 HydrophobicContact CG2-CD1 3.68Å; V41-I54 HydrophobicContact CG2-CG1 4.16Å
42E95.4Very high87Confident72 Ų7275.3 Ų75.334%0.33641%0.412SS..EExtended strand (participates in β ladder)trans-125.6141.1178.8-76.5169-137.800112.2A27 M28 T30 T49 K50A27-E42 CarbonylContact C-O 3.55Å; A27-E42 WeakPolarHBondContact CA-O 3.43Å; M28-E42 PolarHBondContact N-O 2.94Å; M28-E42 PolarHBondContact O-N 2.93Å; T30-E42 WeakPolarHBondContact CB-OE1 3.37Å; T30-E42 HydrophobicContact CG2-CB 3.94Å; T30-E42 HydrophobicContact CG2-CG 3.97Å; T30-E42 WeakPolarHBondContact CG2-OE1 3.43Å; T30-E42 PolarHBondContact OG1-OE1 2.84Å; E42-T49 HydrophobicContact CB-CG2 4.17Å; E42-T49 HydrophobicContact CG-CG2 4.26Å; E42-K50 CarbonylContact C-O 3.54Å; E42-K50 VanDerWaalsContact CA-O 3.27Å; E42-K50 WeakPolarHBondContact CA-O 3.22Å
43W93.2Very high87Confident37 Ų3777 Ų7714%0.1442%0.418CS..EExtended strand (participates in β ladder)trans-137.9163.7173.767.795.1000110.7I17 H25 A27 V41 E45 T49 K50 K52I17-W43 HydrophobicContact CD1-CD2 4.49Å; I17-W43 HydrophobicContact CD1-CE3 3.72Å; I17-W43 HydrophobicContact CD1-CH2 4.43Å; I17-W43 HydrophobicContact CD1-CZ3 3.7Å; H25-W43 AromaticContact CD2-CD1 3.99Å; A27-W43 HydrophobicContact CB-CB 4.08Å; A27-W43 HydrophobicContact CB-CE3 4.05Å; V41-W43 HydrophobicContact CG2-CZ3 4.49Å; W43-E45 PolarHBondContact NE1-OE2 3.36Å; W43-T49 WeakPolarHBondContact O-CA 3.32Å; W43-K50 HydrophobicContact CD2-CB 4.16Å; W43-K50 HydrophobicContact CH2-CB 4.32Å; W43-K50 HydrophobicContact CZ2-CB 3.76Å; W43-K50 PolarHBondContact N-O 3.22Å; W43-K50 PolarHBondContact O-N 3.17Å; W43-K52 HydrophobicContact CH2-CB 3.87Å; W43-K52 HydrophobicContact CZ3-CB 3.75Å
44I87.2Confident87.1Confident133 Ų13375.7 Ų75.768%0.68241%0.411SS*.EExtended strand (participates in β ladder)trans-98.7128.8174.2-60.6174.4000108.9D48I44-D48 CarbonylContact C-O 3.59Å; I44-D48 WeakPolarHBondContact CA-O 3.37Å
45E83Confident87.4Confident47 Ų4772.5 Ų72.522%0.2240%0.398CS..EExtended strand (participates in β ladder)trans-138.6123.1177.9176.4164.7-164.400110.1R19 W43 G47 D48 K50R19-E45 IonicContact CZ-OE1 3.63Å; R19-E45 IonicContact CZ-OE2 2.8Å; R19-E45 IonicContact NH1-OE1 2.83Å; R19-E45 PolarHBondContact NH1-OE1 2.94Å; R19-E45 IonicContact NH1-OE2 2.93Å; R19-E45 PolarHBondContact NH1-OE2 3Å; R19-E45 IonicContact NH2-OE1 3.96Å; R19-E45 PolarHBondContact NH2-OE1 3.5Å; R19-E45 IonicContact NH2-OE2 2.77Å; R19-E45 PolarHBondContact NH2-OE2 3.5Å; W43-E45 PolarHBondContact NE1-OE2 3.36Å; E45-G47 PolarHBondContact O-N 3.48Å; E45-D48 PolarHBondContact N-O 3.47Å; E45-D48 PolarHBondContact O-N 3.39Å; E45-K50 HydrophobicContact CB-CG 4.07Å
46N78.3Confident87.9Confident161 Ų16165.8 Ų65.886%0.86136%0.362SS*.THydrogen-bonded Turntrans54.820.6-177.5-55.6-27000115
47G71.3Confident88.1Confident67 Ų6768.4 Ų68.469%0.69137%0.371SS*.THydrogen-bonded Turntrans98.9-19.2-177.100000114.2E45E45-G47 PolarHBondContact O-N 3.48Å
48D70.4Confident88Confident91 Ų9165.5 Ų65.549%0.48736%0.363SS..EExtended strand (participates in β ladder)trans-80148173.5-73.2-26.1000111.2I44 E45 K50I44-D48 CarbonylContact C-O 3.59Å; I44-D48 WeakPolarHBondContact CA-O 3.37Å; E45-D48 PolarHBondContact N-O 3.47Å; E45-D48 PolarHBondContact O-N 3.39Å; D48-K50 HydrophobicContact CB-CD 4.19Å; D48-K50 VanDerWaalsContact CB-CE 3.47Å; D48-K50 VanDerWaalsContact CB-NZ 3.34Å; D48-K50 IonicContact OD2-NZ 2.69Å; D48-K50 PolarHBondContact OD2-NZ 2.98Å
49T87.8Confident87.9Confident92 Ų9265.2 Ų65.256%0.56436%0.361SS*.EExtended strand (participates in β ladder)trans-81.8127.8160-54.40000108.9E42 W43E42-T49 HydrophobicContact CB-CG2 4.17Å; E42-T49 HydrophobicContact CG-CG2 4.26Å; W43-T49 WeakPolarHBondContact O-CA 3.32Å
50K84.8Confident87.9Confident77 Ų7766.9 Ų66.934%0.33537%0.368SS..EExtended strand (participates in β ladder)trans-115.8135.7174.1-56.2-57.7179.7-1640108.6E42 W43 E45 D48E42-K50 CarbonylContact C-O 3.54Å; E42-K50 VanDerWaalsContact CA-O 3.27Å; E42-K50 WeakPolarHBondContact CA-O 3.22Å; W43-K50 HydrophobicContact CD2-CB 4.16Å; W43-K50 HydrophobicContact CH2-CB 4.32Å; W43-K50 HydrophobicContact CZ2-CB 3.76Å; W43-K50 PolarHBondContact N-O 3.22Å; W43-K50 PolarHBondContact O-N 3.17Å; E45-K50 HydrophobicContact CB-CG 4.07Å; D48-K50 HydrophobicContact CB-CD 4.19Å; D48-K50 VanDerWaalsContact CB-CE 3.47Å; D48-K50 VanDerWaalsContact CB-NZ 3.34Å; D48-K50 IonicContact OD2-NZ 2.69Å; D48-K50 PolarHBondContact OD2-NZ 2.98Å
51G90Very high87.6Confident53 Ų5369.6 Ų69.655%0.54639%0.388SS..EExtended strand (participates in β ladder)trans-118.7149.6177.100000111.8V41V41-G51 CarbonylContact O-C 3.57Å; V41-G51 VanDerWaalsContact O-CA 3.28Å; V41-G51 WeakPolarHBondContact O-CA 3.4Å
52K89.8Confident87.3Confident102 Ų10271.6 Ų71.644%0.44340%0.399SS..EExtended strand (participates in β ladder)trans-146.2142.3172.1-165.9-166.3164.9-161.90110.7T40 V41 W43 I54T40-K52 WeakPolarHBondContact CA-O 3.3Å; V41-K52 WeakPolarHBondContact CG2-O 3.48Å; V41-K52 PolarHBondContact N-O 2.83Å; V41-K52 PolarHBondContact O-N 3.34Å; W43-K52 HydrophobicContact CH2-CB 3.87Å; W43-K52 HydrophobicContact CZ3-CB 3.75Å; K52-I54 HydrophobicContact CB-CG1 4.44Å; K52-I54 HydrophobicContact CD-CD1 4.15Å; K52-I54 HydrophobicContact CD-CG1 3.87Å; K52-I54 HydrophobicContact CG-CG1 4.19Å
53E93.3Very high87.1Confident94 Ų9469.1 Ų69.144%0.43939%0.388SS..EExtended strand (participates in β ladder)trans-85.8131.8164.3-170.5173.7-17300109.7N33 S38N33-E53 PolarHBondContact ND2-OE1 3.24Å; S38-E53 PolarHBondContact OG-OE1 2.91Å
54I91.8Very high86.7Confident10 Ų1071.6 Ų71.65%0.05141%0.409CS..EExtended strand (participates in β ladder)trans-133.7137.5-177.1-53-177.3000108.9I17 S38 V39 V41 K52 I59I17-I54 HydrophobicContact CB-CD1 3.79Å; I17-I54 HydrophobicContact CD1-CD1 3.95Å; I17-I54 HydrophobicContact CG1-CD1 4.46Å; I17-I54 HydrophobicContact CG2-CD1 3.8Å; S38-I54 CarbonylContact C-O 3.58Å; S38-I54 WeakPolarHBondContact CA-O 3.48Å; S38-I54 WeakPolarHBondContact CB-O 3.25Å; V39-I54 PolarHBondContact N-O 3.41Å; V39-I54 PolarHBondContact O-N 3.16Å; V41-I54 HydrophobicContact CG2-CD1 3.68Å; V41-I54 HydrophobicContact CG2-CG1 4.16Å; K52-I54 HydrophobicContact CB-CG1 4.44Å; K52-I54 HydrophobicContact CD-CD1 4.15Å; K52-I54 HydrophobicContact CD-CG1 3.87Å; K52-I54 HydrophobicContact CG-CG1 4.19Å; I54-I59 HydrophobicContact CB-CD1 4Å; I54-I59 HydrophobicContact CB-CG1 4.24Å; I54-I59 HydrophobicContact CD1-CD1 4.23Å; I54-I59 HydrophobicContact CG2-CD1 3.77Å; I54-I59 HydrophobicContact CG2-CG1 3.93Å
55D91.9Very high86.5Confident75 Ų7572.1 Ų72.140%0.40141%0.413SS..EExtended strand (participates in β ladder)trans-61.9144.3174.753.8108.7000112.8E57 S58 I59D55-E57 VanDerWaalsContact C-N 3.28Å; D55-E57 PolarHBondContact O-N 3.14Å; D55-S58 VanDerWaalsContact CG-OG 3.26Å; D55-S58 PolarHBondContact O-N 3.1Å; D55-S58 WeakPolarHBondContact OD1-CA 3.45Å; D55-S58 WeakPolarHBondContact OD1-CB 3.27Å; D55-S58 PolarHBondContact OD1-N 2.94Å; D55-S58 PolarHBondContact OD1-OG 3.34Å; D55-S58 WeakPolarHBondContact OD2-CB 3.13Å; D55-S58 PolarHBondContact OD2-OG 2.7Å; D55-I59 PolarHBondContact O-N 2.95Å; D55-I59 VanDerWaalsContact O-N 3.15Å
56L91.1Very high86.6Confident13 Ų1371.4 Ų71.47%0.06841%0.411CS..Hα-helixtrans-58.5-37.3179.8-86.8171.4000113F6 I9 E37 V39 I59 F60F6-L56 HydrophobicContact CD1-CD1 3.92Å; F6-L56 HydrophobicContact CD1-CD2 3.74Å; F6-L56 HydrophobicContact CD1-CG 4.24Å; F6-L56 HydrophobicContact CE1-CD1 3.83Å; F6-L56 HydrophobicContact CE1-CD2 4.17Å; F6-L56 HydrophobicContact CE1-CG 4.2Å; F6-L56 HydrophobicContact CG-CD1 4.34Å; F6-L56 HydrophobicContact CG-CD2 4.48Å; F6-L56 HydrophobicContact CZ-CD1 4.2Å; I9-L56 HydrophobicContact CD1-CD2 3.64Å; E37-L56 HydrophobicContact CB-CD1 4.21Å; E37-L56 WeakPolarHBondContact O-CB 3.47Å; E37-L56 VanDerWaalsContact O-CG 3.31Å; E37-L56 WeakPolarHBondContact O-CG 3.45Å; E37-L56 PolarHBondContact O-N 2.97Å; V39-L56 HydrophobicContact CG2-CD2 3.72Å; V39-L56 HydrophobicContact CG2-CG 4.27Å; L56-I59 PolarHBondContact O-N 2.98Å; L56-F60 HydrophobicContact CB-CD2 4.3Å; L56-F60 HydrophobicContact CB-CE2 4.05Å; L56-F60 HydrophobicContact CD2-CE2 3.94Å; L56-F60 HydrophobicContact CD2-CZ 3.95Å; L56-F60 HydrophobicContact CG-CE2 4.47Å; L56-F60 WeakPolarHBondContact O-CB 3.48Å; L56-F60 WeakPolarHBondContact O-CD2 3.4Å; L56-F60 WeakPolarHBondContact O-CG 3.13Å; L56-F60 PolarHBondContact O-N 3.49Å
57E86.9Confident86.9Confident164 Ų16466.3 Ų66.377%0.76639%0.385SS*.Hα-helixtrans-62.4-46.6179.1-169174.7-17500111.4D55 I59 F60 S61D55-E57 VanDerWaalsContact C-N 3.28Å; D55-E57 PolarHBondContact O-N 3.14Å; E57-I59 PolarHBondContact O-N 3.03Å; E57-F60 PolarHBondContact O-N 3.41Å; E57-S61 WeakPolarHBondContact O-CB 3.49Å; E57-S61 PolarHBondContact O-N 3.33Å
58S87.4Confident87.3Confident48 Ų4864.7 Ų64.734%0.33636%0.362SS..Hα-helixtrans-62.1-39.6174-690000112.8D55 S61 L62D55-S58 VanDerWaalsContact CG-OG 3.26Å; D55-S58 PolarHBondContact O-N 3.1Å; D55-S58 WeakPolarHBondContact OD1-CA 3.45Å; D55-S58 WeakPolarHBondContact OD1-CB 3.27Å; D55-S58 PolarHBondContact OD1-N 2.94Å; D55-S58 PolarHBondContact OD1-OG 3.34Å; D55-S58 WeakPolarHBondContact OD2-CB 3.13Å; D55-S58 PolarHBondContact OD2-OG 2.7Å; S58-S61 PolarHBondContact O-N 3.38Å; S58-S61 PolarHBondContact O-OG 3.18Å; S58-L62 PolarHBondContact O-N 2.91Å
59I90.9Very high87.3Confident0 Ų066.8 Ų66.80%037%0.374CS..Hα-helixtrans-63.4-49175.6-64-62.1000110.5I9 V15 I17 V39 I54 D55 L56 E57 S61 L62 N63I9-I59 HydrophobicContact CD1-CG2 3.68Å; V15-I59 HydrophobicContact CB-CG2 4.46Å; V15-I59 HydrophobicContact CG1-CG2 4.43Å; V15-I59 HydrophobicContact CG2-CD1 4.19Å; I17-I59 HydrophobicContact CG2-CD1 3.78Å; V39-I59 HydrophobicContact CB-CG1 4.49Å; I54-I59 HydrophobicContact CB-CD1 4Å; I54-I59 HydrophobicContact CB-CG1 4.24Å; I54-I59 HydrophobicContact CD1-CD1 4.23Å; I54-I59 HydrophobicContact CG2-CD1 3.77Å; I54-I59 HydrophobicContact CG2-CG1 3.93Å; D55-I59 PolarHBondContact O-N 2.95Å; D55-I59 VanDerWaalsContact O-N 3.15Å; L56-I59 PolarHBondContact O-N 2.98Å; E57-I59 PolarHBondContact O-N 3.03Å; I59-S61 VanDerWaalsContact C-N 3.32Å; I59-S61 PolarHBondContact O-N 3.15Å; I59-L62 PolarHBondContact O-N 3.38Å; I59-N63 WeakPolarHBondContact O-CB 3.36Å; I59-N63 PolarHBondContact O-N 3.39Å; I59-N63 PolarHBondContact O-ND2 2.9Å
60F92Very high86Confident35 Ų3571.1 Ų71.115%0.15439%0.387CS..Hα-helixtrans-62.8-36.2178.2-71.7-40.6000112.8I9 L56 E57 L62 N63 V67 P68I9-F60 HydrophobicContact CD1-CD1 4.19Å; I9-F60 HydrophobicContact CD1-CE1 3.56Å; I9-F60 HydrophobicContact CD1-CZ 3.98Å; I9-F60 HydrophobicContact CG1-CE1 4.18Å; L56-F60 HydrophobicContact CB-CD2 4.3Å; L56-F60 HydrophobicContact CB-CE2 4.05Å; L56-F60 HydrophobicContact CD2-CE2 3.94Å; L56-F60 HydrophobicContact CD2-CZ 3.95Å; L56-F60 HydrophobicContact CG-CE2 4.47Å; L56-F60 WeakPolarHBondContact O-CB 3.48Å; L56-F60 WeakPolarHBondContact O-CD2 3.4Å; L56-F60 WeakPolarHBondContact O-CG 3.13Å; L56-F60 PolarHBondContact O-N 3.49Å; E57-F60 PolarHBondContact O-N 3.41Å; F60-L62 PolarHBondContact O-N 2.94Å; F60-N63 CarbonylContact O-C 3.54Å; F60-N63 PolarHBondContact O-N 2.83Å; F60-V67 HydrophobicContact CB-CG2 3.86Å; F60-V67 HydrophobicContact CD1-CB 4.34Å; F60-V67 HydrophobicContact CD1-CG2 3.73Å; F60-V67 HydrophobicContact CG-CG2 3.99Å; F60-P68 HydrophobicContact CZ-CG 4.42Å
61S88.1Confident84Confident90 Ų9076.7 Ų76.763%0.62942%0.415SS*.Hα-helixtrans-61.8-24.317780.70000114.1E57 S58 I59E57-S61 WeakPolarHBondContact O-CB 3.49Å; E57-S61 PolarHBondContact O-N 3.33Å; S58-S61 PolarHBondContact O-N 3.38Å; S58-S61 PolarHBondContact O-OG 3.18Å; I59-S61 VanDerWaalsContact C-N 3.32Å; I59-S61 PolarHBondContact O-N 3.15Å
62L89Confident81.5Confident43 Ų4381.7 Ų81.723%0.22543%0.427CS..Hα-helixtrans-103.2-21.6178.5-64.7169000112.7K18 I24 S58 I59 F60 P64K18-L62 HydrophobicContact CB-CD1 3.72Å; K18-L62 HydrophobicContact CB-CD2 4.45Å; I24-L62 HydrophobicContact CD1-CD2 3.95Å; I24-L62 HydrophobicContact CG1-CD2 4.41Å; S58-L62 PolarHBondContact O-N 2.91Å; I59-L62 PolarHBondContact O-N 3.38Å; F60-L62 PolarHBondContact O-N 2.94Å; L62-P64 VanDerWaalsContact C-CD 3.49Å; L62-P64 WeakPolarHBondContact O-CD 3.43Å
63N90.8Very high78.9Confident19 Ų1985.4 Ų85.410%0.10245%0.446CS..  trans-126.366.1-173.9-57.4-97.2000110.8V15 E16 I59 F60 D65 L66V15-N63 WeakPolarHBondContact CA-OD1 3.39Å; E16-N63 PolarHBondContact N-OD1 3.22Å; E16-N63 PolarHBondContact O-ND2 3.21Å; I59-N63 WeakPolarHBondContact O-CB 3.36Å; I59-N63 PolarHBondContact O-N 3.39Å; I59-N63 PolarHBondContact O-ND2 2.9Å; F60-N63 CarbonylContact O-C 3.54Å; F60-N63 PolarHBondContact O-N 2.83Å; N63-D65 PolarHBondContact O-N 2.69Å; N63-D65 VanDerWaalsContact O-N 3.16Å; N63-L66 HydrophobicContact CB-CB 4.32Å; N63-L66 HydrophobicContact CB-CD1 3.77Å; N63-L66 HydrophobicContact CB-CG 4.06Å; N63-L66 PolarHBondContact O-N 3.34Å
64P84.3Confident76.1Confident90 Ų9086.8 Ų86.858%0.58446%0.463SS*.G310 helixtrans-59.8-29.4-173.723.7-34.5000113.6L62 L66 V67L62-P64 VanDerWaalsContact C-CD 3.49Å; L62-P64 WeakPolarHBondContact O-CD 3.43Å; P64-L66 PolarHBondContact O-N 3.41Å; P64-V67 WeakPolarHBondContact O-CB 3.32Å; P64-V67 VanDerWaalsContact O-CG2 3.26Å; P64-V67 WeakPolarHBondContact O-CG2 3.46Å; P64-V67 PolarHBondContact O-N 2.87Å
65D83.8Confident73.3Confident143 Ų14391.9 Ų91.977%0.76550%0.5SS*.G310 helixtrans-66.7-17.8177.9-62.1-33.2000113.5K8 N63K8-D65 VanDerWaalsContact CD-O 3.28Å; K8-D65 WeakPolarHBondContact CD-O 2.94Å; N63-D65 PolarHBondContact O-N 2.69Å; N63-D65 VanDerWaalsContact O-N 3.16Å
66L85.6Confident70.9Confident33 Ų3394.2 Ų94.217%0.17352%0.519CS..G310 helixtrans-92.9-8.6-179.3-58.3-177.9000113.8K8 I9 I13 V15 N63 P64K8-L66 HydrophobicContact CB-CD2 4.1Å; K8-L66 PolarHBondContact N-O 3.48Å; I9-L66 HydrophobicContact CG1-CB 4.14Å; I9-L66 HydrophobicContact CG1-CD1 4.17Å; I13-L66 HydrophobicContact CD1-CD1 3.9Å; I13-L66 HydrophobicContact CD1-CD2 4.29Å; V15-L66 HydrophobicContact CG1-CD1 3.61Å; N63-L66 HydrophobicContact CB-CB 4.32Å; N63-L66 HydrophobicContact CB-CD1 3.77Å; N63-L66 HydrophobicContact CB-CG 4.06Å; N63-L66 PolarHBondContact O-N 3.34Å; P64-L66 PolarHBondContact O-N 3.41Å
67V84.2Confident68.4Low53 Ų53102.8 Ų102.832%0.32156%0.559SS.*SBendtrans-62.3144.3-179.4-178.80000110.3K8 F60 P64K8-V67 PolarHBondContact NZ-O 3.44Å; F60-V67 HydrophobicContact CB-CG2 3.86Å; F60-V67 HydrophobicContact CD1-CB 4.34Å; F60-V67 HydrophobicContact CD1-CG2 3.73Å; F60-V67 HydrophobicContact CG-CG2 3.99Å; P64-V67 WeakPolarHBondContact O-CB 3.32Å; P64-V67 VanDerWaalsContact O-CG2 3.26Å; P64-V67 WeakPolarHBondContact O-CG2 3.46Å; P64-V67 PolarHBondContact O-N 2.87Å
68P78.5Confident65.7Low34 Ų34101.7 Ų101.722%0.22156%0.564CS.*PPolyproline II helixtrans-61.7134.7169.9-13.425.1000111N5 F60 E70N5-P68 HydrophobicContact CB-CG 4.47Å; N5-P68 WeakPolarHBondContact ND2-CB 3.08Å; N5-P68 VanDerWaalsContact ND2-CG 3.35Å; N5-P68 WeakPolarHBondContact ND2-CG 3.32Å; F60-P68 HydrophobicContact CZ-CG 4.42Å; P68-E70 PolarHBondContact O-N 3.25Å
69D71.2Confident63.3Low135 Ų135104.9 Ų104.972%0.72258%0.583SS**PPolyproline II helixtrans-73.4117.1176-51.9-81.2000109.9K8K8-D69 VanDerWaalsContact CE-OD2 3.25Å; K8-D69 WeakPolarHBondContact CE-OD2 3.3Å; K8-D69 VanDerWaalsContact NZ-CG 3.29Å; K8-D69 IonicContact NZ-OD1 2.73Å; K8-D69 PolarHBondContact NZ-OD1 3.14Å; K8-D69 IonicContact NZ-OD2 3.26Å; K8-D69 PolarHBondContact NZ-OD2 3Å
70E60.9Low60.7Low183 Ų183110.6 Ų110.686%0.85562%0.62SS**PPolyproline II helixtrans-72131.9-178.4-71.5-166.1139.500113P68 I72P68-E70 PolarHBondContact O-N 3.25Å; E70-I72 PolarHBondContact O-N 3.47Å
71E43.6Very low57.9Low194 Ų194114.5 Ų114.591%0.90765%0.649SS**  trans-77104.5168.3-69.3-165142.400110.6E73E71-E73 PolarHBondContact O-N 3.02Å
72I37.4Very low55.3Low158 Ų158116.5 Ų116.581%0.8166%0.66SS**  trans-71.3111.8177.1-57.5174.2000110.2E70E70-I72 PolarHBondContact O-N 3.47Å
73E34Very low52.5Low179 Ų179119.5 Ų119.584%0.83669%0.691SS**PPolyproline II helixtrans-64.6135.2171.9-79.1-153.7150.200112.2E71E71-E73 PolarHBondContact O-N 3.02Å
74P35.4Very low49.5Very low124 Ų124123.6 Ų123.681%0.80572%0.721SS**PPolyproline II helixtrans-80.5122.8179.831-33.7000112.7
75S31.7Very low46.8Very low116 Ų116124 Ų12481%0.81173%0.726SS**PPolyproline II helixtrans-68.6156.1168-76.90000112.7
76P42.8Very low44.1Very low124 Ų124123.1 Ų123.181%0.80573%0.726SS**PPolyproline II helixtrans-80.9157.5-153.230.2-37.5000117
77E38.4Very low41.3Very low193 Ų193130.7 Ų130.790%0.90276%0.757SS**PPolyproline II helixtrans-66.6155.1179.7-61.1-174.6117.500115.1
78T30.7Very low38.5Very low142 Ų142134.7 Ų134.787%0.87178%0.781SS**  trans-154.8161.41498.80000109.6
79P35.3Very low36Very low114 Ų114140.7 Ų140.774%0.7481%0.812SS**PPolyproline II helixtrans-93163.7-138.534.8-40.4000117.9
80P37.9Very low34Very low121 Ų121143.7 Ų143.779%0.78682%0.818SS**PPolyproline II helixtrans-93.5149-174.636.2-36.4000116.1
81P31.9Very low32.5Very low117 Ų117142.5 Ų142.576%0.7682%0.816SS**PPolyproline II helixtrans-84.2173.3159.434-31.2000112.7
82P33.7Very low31.8Very low132 Ų132138.7 Ų138.786%0.85781%0.806SS**PPolyproline II helixtrans-84.2158.4-147.1-13.929.6000118.2
83A31.1Very low31.4Very low105 Ų105140.5 Ų140.587%0.86881%0.808SS**PPolyproline II helixtrans-83.5162.9176.300000114.5
84S27.1Very low31Very low105 Ų105140 Ų14073%0.73481%0.811SS**  trans-126.8122.2164.154.60000112.1
85S27.8Very low30.6Very low100 Ų100144 Ų14470%0.69981%0.81SS**  trans25.3135.314058.10000120
86T26.9Very low30.4Very low123 Ų123149.7 Ų149.776%0.75581%0.814SS**  cis-176.2175.319.811.40000112.9
87K25.9Very low29.7Very low192 Ų192148.2 Ų148.284%0.83580%0.802SS**  trans82.6136.9166.1-49-171.7-174.9173.90114.8
88V26.6Very low29.3Very low137 Ų137146.3 Ų146.383%0.8380%0.804SS**  cis-144.4168.1-3.51100000111.5
89N26.2Very low29.1Very low160 Ų160143.5 Ų143.586%0.85680%0.795SS**  trans-75.5154.2-159.5-72.4-22.6000118
90K29.7Very low28.7Very low198 Ų198143.4 Ų143.486%0.86180%0.797SS**  trans-97.1155.4160.7-73.5173.4174.4167.20111.4
91I27.9Very low28.3Very low159 Ų159145.1 Ų145.182%0.81580%0.798SS**  trans-130.3102.9148.6-72.8-176.7000106
92V28.7Very low28.3Very low114 Ų114148.2 Ų148.269%0.69180%0.8SS**  69.2100.1102.7170.30000111.4
93K30.1Very low28.2Very low195 Ų195148 Ų14885%0.84879%0.791SS**  68.5137.571.8-77.5-176.4169.8175.40114.4
94N24.1Very low27.9Very low168 Ų168149.8 Ų149.890%0.89879%0.786SS**  trans-142.4151142.4-144.6-15.2000110.7
95R27.8Very low28.9Very low209 Ų209150.4 Ų150.479%0.78979%0.787SS**  trans-163.1129.5-172.5-177-160.2-170.6-164.16.9112.7T97R95-T97 HydrophobicContact CG-CG2 4.35Å
96R28.4Very low30.1Very low236 Ų236151.1 Ų151.189%0.89179%0.79SS**  trans-149.6134.4151.7-78.2-167.8166.4161.4-5.1108.2
97T28.3Very low31.6Very low92 Ų92150.4 Ų150.456%0.56479%0.787SS**  cis96117.424.163.70000115.7R95R95-T97 HydrophobicContact CG-CG2 4.35Å
98V28.1Very low31.9Very low153 Ų153152.5 Ų152.593%0.92779%0.79SS**  trans-153.5163.9148.3170.20000109.3
99A26.9Very low32.4Very low84 Ų84152.6 Ų152.669%0.69479%0.786SS**  trans-66.4170.8-175.900000116.2
100S26.9Very low32.8Very low112 Ų112151.2 Ų151.278%0.78378%0.778SS**  cis75.1143.632-142.60000113.8
101I30.1Very low32.9Very low157 Ų157152.5 Ų152.581%0.80578%0.778SS**  cis-146.417736.9-69.7169.7000112.2
102K32.1Very low33.1Very low182 Ų182150.8 Ų150.879%0.79178%0.775SS**  trans-104.5173.9-176.2-55.1173.5173.7-173.90116.4
103N30.5Very low33.3Very low127 Ų127152.1 Ų152.168%0.67978%0.783SS**  137117.3127.7-79.91.3000119
104D26.6Very low33.2Very low143 Ų143146.4 Ų146.477%0.76578%0.779SS**  55.9164.9110.1-67.216.2000124.1
105P47Very low33.5Very low117 Ų117144.4 Ų144.476%0.7678%0.778SS**  cis-140.5-128-29.741.4-17.6000116.1
106P52.4Low33.5Very low115 Ų115138.6 Ų138.675%0.74778%0.775SS**  trans-135.9-123.9-138.541.5-13.3000116.5
107P58.3Low33.5Very low108 Ų108139.1 Ų139.170%0.70178%0.777SS**  -117.4-170.9-74.340.1-23.6000115.2
108R32.8Very low33.4Very low236 Ų236139.5 Ų139.589%0.89179%0.789SS**  trans-175.6162.9137.8-105.2168.1-172.6-165.81.8117.9
109D37.6Very low33.4Very low140 Ų140142.6 Ų142.675%0.74978%0.784SS**  trans-83.7-174.6-165.2-40.3-91.1000115.6
110N33.3Very low33.8Very low130 Ų130144 Ų14470%0.69579%0.786SS**  cis-175.8155.333.6-141.3-23.5000114.6
111R32.9Very low34Very low226 Ų226142.1 Ų142.185%0.85377%0.773SS**  trans36.6156.7139.3-84.5178.3171.9-169.9-3.2123.7
112V32Very low34.2Very low123 Ų123141.6 Ų141.675%0.74577%0.767SS**  cis-166.1163.4-9.91060000112.9
113V31.9Very low34.1Very low142 Ų142141 Ų14186%0.86177%0.765SS**  trans-2139.4164-175.60000121.6
114G28Very low35Very low75 Ų75139.9 Ų139.977%0.77377%0.765SS**  trans-171.8165.4162.200000114.5
115S31.1Very low35Very low125 Ų125141.8 Ų141.887%0.87477%0.769SS**  trans-136.1161.4-176.9-172.70000113.8
116A28.5Very low34.1Very low87 Ų87145.7 Ų145.772%0.71978%0.777SS**  trans80.8123.8159.300000121.7
117R28.1Very low32.8Very low247 Ų247145.4 Ų145.493%0.93278%0.778SS**  trans76.6142.9135.4-148.2-178.9-168.5-179.53.9120.7
118A26.5Very low31.4Very low101 Ų101145.2 Ų145.284%0.83578%0.779SS**  trans102.7144.3148.200000120.2
119R28.4Very low31.1Very low217 Ų217139.4 Ų139.482%0.81978%0.775SS**  trans-97160.3-171.9-168.1-163-166.7175.65.8109.9
120P35.8Very low30.6Very low113 Ų113137 Ų13773%0.73478%0.775SS**  -125.2148.8123.6-0.722.4000111.8
121S30Very low30.3Very low73 Ų73139 Ų13951%0.5178%0.78SS.*  cis70.3139.727.679.40000114.3
122Q34.4Very low30.1Very low146 Ų146136.6 Ų136.668%0.68278%0.778SS**  cis-164.5171.7-3.9-114.2165.5-62.300105.6
123F31Very low29.9Very low170 Ų170138.8 Ų138.875%0.74679%0.786SS**  cis-161.8-161.34.8-128.9-16000105.4
124P49.2Very low29.6Very low103 Ų103135 Ų13567%0.66978%0.775SS**  cis-111.9-137.9-13.821.55.6000108.7
125E26.5Very low29.6Very low183 Ų183137.1 Ų137.186%0.85578%0.778SS**  cis-139.5160.4-4.2-76.6-166.6116.800110.4
126Q26.9Very low29.7Very low200 Ų200137.3 Ų137.394%0.93577%0.774SS**  trans-165.8153.4164.9-136.9-178.514.200109.2
127S26.5Very low29.7Very low108 Ų108137.4 Ų137.476%0.75577%0.769SS**  trans-137.6119.8176.148.80000115
128S28.2Very low29.8Very low104 Ų104133.3 Ų133.373%0.72777%0.766SS**  trans40.898.9148.258.10000121.2
129S26.1Very low30Very low114 Ų114135 Ų13580%0.79776%0.759SS**  18132.412160.40000120.5
130A27.3Very low30.2Very low91 Ų91129.7 Ų129.775%0.75276%0.756SS**  167.8151.791.100000115.5
131Q27.4Very low30.5Very low171 Ų171129.7 Ų129.780%0.79976%0.756SS**  trans77.9144.6147.9-85.4-168.514.400124.5
132Q28.6Very low30.7Very low175 Ų175133.1 Ų133.182%0.81877%0.773SS**  trans91.6128.9153.8-75.9177.940.700122.3
133N27.4Very low30.7Very low169 Ų169134.9 Ų134.990%0.90478%0.781SS**  trans-80.8169175.8-56.6-37.8000111.4
134G26.7Very low30.9Very low62 Ų62131.6 Ų131.664%0.63979%0.786SS**  trans16799.8145.500000118
135S28.2Very low30.4Very low121 Ų121131.2 Ų131.285%0.84679%0.792SS**  trans63.6168.9158.873.20000116.1
136V32.3Very low30.8Very low129 Ų129132.3 Ų132.378%0.78279%0.793SS**  cis-127.2157.58.8-174.50000110.6
137S28.8Very low31.2Very low89 Ų89132 Ų13262%0.62279%0.789SS**  trans-70.9161.2173510000114.2
138D29.7Very low31.6Very low161 Ų161135.7 Ų135.786%0.86179%0.794SS**  -150.3166.2120.6-133.5-32.8000113.1
139I31.7Very low32Very low135 Ų135140.7 Ų140.769%0.69280%0.803SS**  trans-136.6137.5-157.8-50.4173.2000111.8
140S30.9Very low32.9Very low106 Ų106137.9 Ų137.974%0.74179%0.792SS**  trans144.3157.9138.9-70.20000114
141P43.3Very low33.7Very low114 Ų114139.4 Ų139.474%0.7479%0.794SS**  cis-129156.6-40.636.6-23000112.2
142V33.1Very low34.5Very low144 Ų144136.9 Ų136.987%0.87379%0.793SS**PPolyproline II helixtrans-83.8125.7173.6177.60000110.2
143Q35.1Very low35.5Very low183 Ų183134 Ų13486%0.85579%0.793SS**PPolyproline II helixtrans-99.5146.9161.8-74.2-166.2-6.500111.2
144A35.3Very low36.6Very low102 Ų102137 Ų13784%0.84379%0.791SS**PPolyproline II helixtrans-79.2157.7-167.400000114
145A38Very low37.9Very low95 Ų95145.5 Ų145.579%0.78580%0.804SS**PPolyproline II helixtrans-64.6133.5-17100000115
146K35.8Very low39.1Very low206 Ų206144.4 Ų144.490%0.89678%0.784SS**  trans-122108.9134-77.5-172.2176.3-177.20108.4
147K34.6Very low40.3Very low192 Ų192142 Ų14284%0.83577%0.772SS**  trans-91.5109.8163.5-90.6-174.5172.6179.30107.9
148E34.8Very low42Very low186 Ų186143.3 Ų143.387%0.86977%0.772SS**  trans-70.8140.5160.3-66.2-173.2138.200109.3G150E148-G150 VanDerWaalsContact C-N 3.34Å; E148-G150 PolarHBondContact O-N 3.41Å
149F37.7Very low43.1Very low209 Ų209139.9 Ų139.992%0.91776%0.76SS**  trans-80.383.3174.8-90.9-100.6000109.8
150G43.5Very low44.5Very low55 Ų55137 Ų13757%0.56775%0.749SS**PPolyproline II helixtrans-58.6142.8157.500000109.9E148E148-G150 VanDerWaalsContact C-N 3.34Å; E148-G150 PolarHBondContact O-N 3.41Å
151P43.8Very low46.1Very low123 Ų123136.2 Ų136.280%0.79973%0.732SS**PPolyproline II helixtrans-60145-176.524.5-34000111.2S153P151-S153 PolarHBondContact O-N 2.72Å
152P44.6Very low47.2Very low118 Ų118135.7 Ų135.777%0.76672%0.72SS**PPolyproline II helixtrans-65121.8-171.225.5-34.2000111R154P152-R154 PolarHBondContact O-N 2.8Å
153S50Low48.9Very low116 Ų116133.2 Ų133.281%0.81171%0.705SS**  trans-59.198.7168.5-176.60000109.3P151 R155P151-S153 PolarHBondContact O-N 2.72Å; S153-R155 PolarHBondContact O-N 2.8Å
154R51.1Low50.8Low230 Ų230128.7 Ų128.787%0.86868%0.684SS**  trans-58.7105.8172.1-77.6-174.3172.8-170.3-1107.5P152 K156P152-R154 PolarHBondContact O-N 2.8Å; R154-K156 PolarHBondContact O-N 3.32Å
155R54.2Low52.7Low242 Ų242129 Ų12991%0.91367%0.666SS**  trans-59.299.2173.4-81.9-177.3166.9-177.5-3.9108.6S153 S157S153-R155 PolarHBondContact O-N 2.8Å; R155-S157 PolarHBondContact O-N 3.13Å
156K51.9Low54.2Low98 Ų98128.7 Ų128.743%0.42665%0.651SS.*  trans-48.6130178-69.2177.5172.7172.90110.2R154 V160 K161 E164R154-K156 PolarHBondContact O-N 3.32Å; K156-V160 HydrophobicContact CB-CB 4.45Å; K156-V160 HydrophobicContact CB-CG1 4.24Å; K156-V160 HydrophobicContact CD-CG1 4.33Å; K156-V160 HydrophobicContact CG-CG1 4.28Å; K156-K161 HydrophobicContact CB-CG 3.97Å; K156-K161 WeakPolarHBondContact O-CE 3.36Å; K156-E164 WeakPolarHBondContact CD-OE2 3.26Å; K156-E164 WeakPolarHBondContact CE-OE2 3.26Å; K156-E164 IonicContact NZ-OE1 3.56Å; K156-E164 PolarHBondContact NZ-OE1 2.92Å; K156-E164 IonicContact NZ-OE2 3Å; K156-E164 PolarHBondContact NZ-OE2 2.92Å
157S58.3Low56.1Low77 Ų77122.5 Ų122.554%0.53863%0.625SS.*  trans-56.9152.3174.3179.10000110.3R155 C159 V160 K161R155-S157 PolarHBondContact O-N 3.13Å; S157-C159 PolarHBondContact O-N 2.81Å; S157-V160 PolarHBondContact O-N 2.85Å; S157-V160 VanDerWaalsContact O-N 3.13Å; S157-K161 PolarHBondContact O-N 2.91Å
158N65.2Low58.5Low117 Ų117117.6 Ų117.663%0.62661%0.605SS**Hα-helixtrans-59.7-34.9178.9-73.8-5.9000111.9K161 E162N158-K161 PolarHBondContact O-N 2.87Å; N158-E162 PolarHBondContact O-N 3.38Å
159C51.2Low60.8Low90 Ų90116.2 Ų116.261%0.60860%0.596SS**Hα-helixtrans-60.2-50.6173.4-176.30000111.7S157 K161 E162 V163S157-C159 PolarHBondContact O-N 2.81Å; C159-K161 PolarHBondContact O-N 2.82Å; C159-E162 PolarHBondContact O-N 3.11Å; C159-V163 PolarHBondContact O-N 3.41Å
160V61.5Low62.7Low75 Ų75113.1 Ų113.146%0.45558%0.578SS.*Hα-helixtrans-57.5-36.8176.3178.40000111.5K156 S157 E164K156-V160 HydrophobicContact CB-CB 4.45Å; K156-V160 HydrophobicContact CB-CG1 4.24Å; K156-V160 HydrophobicContact CD-CG1 4.33Å; K156-V160 HydrophobicContact CG-CG1 4.28Å; S157-V160 PolarHBondContact O-N 2.85Å; S157-V160 VanDerWaalsContact O-N 3.13Å; V160-E164 VanDerWaalsContact O-CB 3.25Å; V160-E164 WeakPolarHBondContact O-CB 3.17Å; V160-E164 PolarHBondContact O-N 3.29Å
161K64.4Low64.6Low88 Ų88115 Ų11538%0.38357%0.572SS.*Hα-helixtrans-69.7-35175.2-70174.6178.8166.50113.7K156 S157 N158 C159 K165K156-K161 HydrophobicContact CB-CG 3.97Å; K156-K161 WeakPolarHBondContact O-CE 3.36Å; S157-K161 PolarHBondContact O-N 2.91Å; N158-K161 PolarHBondContact O-N 2.87Å; C159-K161 PolarHBondContact O-N 2.82Å; K161-K165 WeakPolarHBondContact O-CB 3.46Å; K161-K165 VanDerWaalsContact O-CG 3.24Å; K161-K165 WeakPolarHBondContact O-CG 3.48Å; K161-K165 PolarHBondContact O-N 3.38Å
162E66.9Low66.6Low103 Ų103114.3 Ų114.348%0.48156%0.557SS.*Hα-helixtrans-72.6-36.2174.6-62.7-44.4128.800111.8N158 C159 K165 L166N158-E162 PolarHBondContact O-N 3.38Å; C159-E162 PolarHBondContact O-N 3.11Å; E162-K165 VanDerWaalsContact CD-NZ 3.26Å; E162-K165 PolarHBondContact O-N 3.06Å; E162-K165 IonicContact OE1-NZ 3.49Å; E162-K165 PolarHBondContact OE1-NZ 2.83Å; E162-K165 WeakPolarHBondContact OE2-CD 3.42Å; E162-K165 IonicContact OE2-NZ 3.54Å; E162-K165 PolarHBondContact OE2-NZ 3.49Å; E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 PolarHBondContact O-N 3.23Å
163V69.3Low68.2Low93 Ų93117.2 Ų117.256%0.56455%0.552SS**Hα-helixtrans-63.3-44.8170.7176.60000110.8C159 L166 Q167C159-V163 PolarHBondContact O-N 3.41Å; V163-L166 WeakPolarHBondContact O-CB 3.41Å; V163-L166 PolarHBondContact O-N 3.38Å; V163-L166 VanDerWaalsContact O-N 3.14Å; V163-Q167 PolarHBondContact O-N 3.24Å
164E74.3Confident69.6Low87 Ų87118.4 Ų118.441%0.40754%0.539SS..Hα-helixtrans-61.9-44.4176-177.2165.5-146.600112K156 V160 L166 Q167 E168K156-E164 WeakPolarHBondContact CD-OE2 3.26Å; K156-E164 WeakPolarHBondContact CE-OE2 3.26Å; K156-E164 IonicContact NZ-OE1 3.56Å; K156-E164 PolarHBondContact NZ-OE1 2.92Å; K156-E164 IonicContact NZ-OE2 3Å; K156-E164 PolarHBondContact NZ-OE2 2.92Å; V160-E164 VanDerWaalsContact O-CB 3.25Å; V160-E164 WeakPolarHBondContact O-CB 3.17Å; V160-E164 PolarHBondContact O-N 3.29Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.01Å; E164-Q167 PolarHBondContact O-N 3.04Å; E164-E168 WeakPolarHBondContact O-CB 3.11Å; E164-E168 PolarHBondContact O-N 3.4Å
165K74.8Confident71.2Confident109 Ų109111.9 Ų111.947%0.47452%0.521SS..Hα-helixtrans-60.6-37.8170.9-77.3165.8172.4-179.70112.9K161 E162 E168 K169K161-K165 WeakPolarHBondContact O-CB 3.46Å; K161-K165 VanDerWaalsContact O-CG 3.24Å; K161-K165 WeakPolarHBondContact O-CG 3.48Å; K161-K165 PolarHBondContact O-N 3.38Å; E162-K165 VanDerWaalsContact CD-NZ 3.26Å; E162-K165 PolarHBondContact O-N 3.06Å; E162-K165 IonicContact OE1-NZ 3.49Å; E162-K165 PolarHBondContact OE1-NZ 2.83Å; E162-K165 WeakPolarHBondContact OE2-CD 3.42Å; E162-K165 IonicContact OE2-NZ 3.54Å; E162-K165 PolarHBondContact OE2-NZ 3.49Å; K165-E168 PolarHBondContact O-N 2.72Å; K165-K169 WeakPolarHBondContact O-CB 3.28Å; K165-K169 PolarHBondContact O-N 2.72Å
166L70.6Confident72.7Confident89 Ų89106.3 Ų106.347%0.46651%0.506SS..Hα-helixtrans-67.8-40179.1-174.364.7000110.7E162 V163 E164 K169 R170E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 PolarHBondContact O-N 3.23Å; V163-L166 WeakPolarHBondContact O-CB 3.41Å; V163-L166 PolarHBondContact O-N 3.38Å; V163-L166 VanDerWaalsContact O-N 3.14Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.01Å; L166-K169 PolarHBondContact O-N 3.39Å; L166-R170 VanDerWaalsContact O-CG 3.27Å; L166-R170 WeakPolarHBondContact O-CG 3.43Å; L166-R170 PolarHBondContact O-N 2.78Å
167Q75.8Confident73.8Confident75 Ų75107.7 Ų107.735%0.3551%0.514SS..Hα-helixtrans-65-48.9171.8-175.665.97.100111.4V163 E164 K169 R170 E171V163-Q167 PolarHBondContact O-N 3.24Å; E164-Q167 PolarHBondContact O-N 3.04Å; Q167-K169 PolarHBondContact O-N 3.31Å; Q167-R170 CarbonylContact O-C 3.58Å; Q167-R170 WeakPolarHBondContact O-CA 3.14Å; Q167-R170 WeakPolarHBondContact O-CB 3.41Å; Q167-R170 PolarHBondContact O-N 3.4Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.45Å; Q167-E171 PolarHBondContact NE2-OE1 2.93Å; Q167-E171 WeakPolarHBondContact O-CB 3.49Å; Q167-E171 WeakPolarHBondContact O-CG 3Å; Q167-E171 PolarHBondContact O-N 2.94Å
168E83.8Confident74.8Confident89 Ų89109 Ų10942%0.41651%0.511SS..Hα-helixtrans-58.1-37.2176.6-166.4-164161.500111.5E164 K165 E171 K172E164-E168 WeakPolarHBondContact O-CB 3.11Å; E164-E168 PolarHBondContact O-N 3.4Å; K165-E168 PolarHBondContact O-N 2.72Å; E168-E171 PolarHBondContact O-N 2.93Å; E168-K172 HydrophobicContact CG-CD 4.27Å; E168-K172 VanDerWaalsContact O-CB 3.3Å; E168-K172 WeakPolarHBondContact O-CB 3.45Å; E168-K172 WeakPolarHBondContact O-CG 3.05Å; E168-K172 PolarHBondContact O-N 2.95Å; E168-K172 WeakPolarHBondContact OE1-CE 3.35Å; E168-K172 IonicContact OE1-NZ 3.58Å; E168-K172 PolarHBondContact OE1-NZ 2.8Å
169K83.7Confident75.7Confident157 Ų157108.6 Ų108.668%0.68351%0.505SS*.Hα-helixtrans-70.3-37.2174.5-172.8177.1-178.6-178.60112.4K165 L166 Q167 R173K165-K169 WeakPolarHBondContact O-CB 3.28Å; K165-K169 PolarHBondContact O-N 2.72Å; L166-K169 PolarHBondContact O-N 3.39Å; Q167-K169 PolarHBondContact O-N 3.31Å; K169-R173 VanDerWaalsContact O-CB 3.27Å; K169-R173 WeakPolarHBondContact O-CB 3.27Å; K169-R173 PolarHBondContact O-N 2.92Å
170R78.4Confident77Confident144 Ų144108.5 Ų108.554%0.54350%0.498SS..Hα-helixtrans-66.3-40.4171.9-74.3166.7173.3-173.4-3.5111.2L166 Q167 R173 R174L166-R170 VanDerWaalsContact O-CG 3.27Å; L166-R170 WeakPolarHBondContact O-CG 3.43Å; L166-R170 PolarHBondContact O-N 2.78Å; Q167-R170 CarbonylContact O-C 3.58Å; Q167-R170 WeakPolarHBondContact O-CA 3.14Å; Q167-R170 WeakPolarHBondContact O-CB 3.41Å; Q167-R170 PolarHBondContact O-N 3.4Å; R170-R173 PolarHBondContact O-N 3.45Å; R170-R174 WeakPolarHBondContact O-CG 3.29Å; R170-R174 PolarHBondContact O-N 2.81Å
171E83.4Confident77.4Confident94 Ų94114 Ų11444%0.43951%0.511SS..Hα-helixtrans-69.8-47.7177.8-73.9170.4-177.900112Q167 E168 R173 R174 L175Q167-E171 WeakPolarHBondContact CG-OE1 3.45Å; Q167-E171 PolarHBondContact NE2-OE1 2.93Å; Q167-E171 WeakPolarHBondContact O-CB 3.49Å; Q167-E171 WeakPolarHBondContact O-CG 3Å; Q167-E171 PolarHBondContact O-N 2.94Å; E168-E171 PolarHBondContact O-N 2.93Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 3.33Å; E171-R174 PolarHBondContact O-N 3.22Å; E171-R174 VanDerWaalsContact O-N 3.14Å; E171-R174 IonicContact OE1-NH2 3.33Å; E171-L175 WeakPolarHBondContact O-CB 3.28Å; E171-L175 PolarHBondContact O-N 2.96Å
172K84.6Confident77.9Confident109 Ų109114.3 Ų114.347%0.47451%0.514SS..Hα-helixtrans-59.8-37.3172.1-76.9173.8171.2172.40112.4E168 Q176E168-K172 HydrophobicContact CG-CD 4.27Å; E168-K172 VanDerWaalsContact O-CB 3.3Å; E168-K172 WeakPolarHBondContact O-CB 3.45Å; E168-K172 WeakPolarHBondContact O-CG 3.05Å; E168-K172 PolarHBondContact O-N 2.95Å; E168-K172 WeakPolarHBondContact OE1-CE 3.35Å; E168-K172 IonicContact OE1-NZ 3.58Å; E168-K172 PolarHBondContact OE1-NZ 2.8Å; K172-Q176 VanDerWaalsContact O-CB 3.3Å; K172-Q176 WeakPolarHBondContact O-CB 3.19Å; K172-Q176 WeakPolarHBondContact O-CG 3.18Å; K172-Q176 PolarHBondContact O-N 2.83Å
173R79.6Confident78.3Confident179 Ų179115.7 Ų115.768%0.67552%0.518SS*.Hα-helixtrans-65.3-43.6173-175.6178.3178.2-177.20.6112.2K169 R170 E171 Q177K169-R173 VanDerWaalsContact O-CB 3.27Å; K169-R173 WeakPolarHBondContact O-CB 3.27Å; K169-R173 PolarHBondContact O-N 2.92Å; R170-R173 PolarHBondContact O-N 3.45Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 3.33Å; R173-Q177 VanDerWaalsContact O-CB 3.28Å; R173-Q177 WeakPolarHBondContact O-CB 3.38Å; R173-Q177 PolarHBondContact O-N 3.29Å
174R79.7Confident78.2Confident141 Ų141119.2 Ų119.253%0.53252%0.521SS..Hα-helixtrans-61.5-47.1175.1-77-177.5-71.8-165.62.8111.2R170 E171 Q177 Q178R170-R174 WeakPolarHBondContact O-CG 3.29Å; R170-R174 PolarHBondContact O-N 2.81Å; E171-R174 PolarHBondContact O-N 3.22Å; E171-R174 VanDerWaalsContact O-N 3.14Å; E171-R174 IonicContact OE1-NH2 3.33Å; R174-Q177 PolarHBondContact O-N 3.41Å; R174-Q178 WeakPolarHBondContact O-CB 3.39Å; R174-Q178 PolarHBondContact O-N 3.18Å
175L84.8Confident77.8Confident94 Ų94117.8 Ų117.849%0.49252%0.524SS..Hα-helixtrans-62.3-47.1177.8-173.164.2000111.6E171 Q177 Q178 E179E171-L175 WeakPolarHBondContact O-CB 3.28Å; E171-L175 PolarHBondContact O-N 2.96Å; L175-Q177 VanDerWaalsContact C-N 3.28Å; L175-Q177 PolarHBondContact O-N 2.8Å; L175-Q178 CarbonylContact O-C 3.59Å; L175-Q178 WeakPolarHBondContact O-CB 3.42Å; L175-Q178 PolarHBondContact O-N 3.26Å; L175-Q178 VanDerWaalsContact O-N 3.12Å; L175-E179 HydrophobicContact CG-CG 4.44Å; L175-E179 WeakPolarHBondContact O-CB 3.36Å; L175-E179 WeakPolarHBondContact O-CG 3.3Å; L175-E179 PolarHBondContact O-N 3.43Å
176Q84.3Confident77.3Confident125 Ų125120 Ų12058%0.58454%0.536SS*.Hα-helixtrans-61.1-35.1175.2-75.9172.2-10.800113K172 L180K172-Q176 VanDerWaalsContact O-CB 3.3Å; K172-Q176 WeakPolarHBondContact O-CB 3.19Å; K172-Q176 WeakPolarHBondContact O-CG 3.18Å; K172-Q176 PolarHBondContact O-N 2.83Å; Q176-L180 WeakPolarHBondContact O-CB 3.23Å; Q176-L180 PolarHBondContact O-N 3.11Å
177Q75.8Confident76.8Confident127 Ų127122.2 Ų122.259%0.59355%0.549SS*.Hα-helixtrans-73.7-30.9176.9-167.1167.44.100111.8R173 R174 L175 R181R173-Q177 VanDerWaalsContact O-CB 3.28Å; R173-Q177 WeakPolarHBondContact O-CB 3.38Å; R173-Q177 PolarHBondContact O-N 3.29Å; R174-Q177 PolarHBondContact O-N 3.41Å; L175-Q177 VanDerWaalsContact C-N 3.28Å; L175-Q177 PolarHBondContact O-N 2.8Å; Q177-R181 PolarHBondContact O-N 3.43Å; Q177-R181 VanDerWaalsContact O-N 3.15Å
178Q78.5Confident76Confident105 Ų105119.9 Ų119.949%0.49154%0.539SS..Hα-helixtrans-71.9-50.9170.1178.1171.2-11.200111.8R174 L175 L180 R181 E182R174-Q178 WeakPolarHBondContact O-CB 3.39Å; R174-Q178 PolarHBondContact O-N 3.18Å; L175-Q178 CarbonylContact O-C 3.59Å; L175-Q178 WeakPolarHBondContact O-CB 3.42Å; L175-Q178 PolarHBondContact O-N 3.26Å; L175-Q178 VanDerWaalsContact O-N 3.12Å; Q178-L180 PolarHBondContact O-N 2.77Å; Q178-R181 CarbonylContact O-C 3.49Å; Q178-R181 WeakPolarHBondContact O-CA 3.48Å; Q178-R181 WeakPolarHBondContact O-CB 3.12Å; Q178-R181 PolarHBondContact O-N 2.9Å; Q178-E182 HydrophobicContact CG-CG 4.32Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.1Å; Q178-E182 PolarHBondContact NE2-OE1 2.85Å; Q178-E182 WeakPolarHBondContact O-CG 3.48Å; Q178-E182 PolarHBondContact O-N 3.41Å
179E83.8Confident74.9Confident107 Ų107119.6 Ų119.650%0.554%0.541SS..Hα-helixtrans-54.1-40.2173.1-73.5178.2151.900111.5L175 E182 K183L175-E179 HydrophobicContact CG-CG 4.44Å; L175-E179 WeakPolarHBondContact O-CB 3.36Å; L175-E179 WeakPolarHBondContact O-CG 3.3Å; L175-E179 PolarHBondContact O-N 3.43Å; E179-E182 PolarHBondContact O-N 2.8Å; E179-K183 WeakPolarHBondContact O-CB 3.43Å; E179-K183 PolarHBondContact O-N 3.21Å
180L78.4Confident73.6Confident89 Ų89116.6 Ų116.647%0.46655%0.546SS..Hα-helixtrans-67.1-36.3175.1-177.862.8000112.2Q176 Q178 R184Q176-L180 WeakPolarHBondContact O-CB 3.23Å; Q176-L180 PolarHBondContact O-N 3.11Å; Q178-L180 PolarHBondContact O-N 2.77Å; L180-R184 HydrophobicContact CD1-CG 4.46Å; L180-R184 WeakPolarHBondContact O-CB 3.46Å; L180-R184 WeakPolarHBondContact O-CD 3.42Å; L180-R184 WeakPolarHBondContact O-CG 3.42Å; L180-R184 PolarHBondContact O-N 2.91Å
181R71.5Confident73.2Confident191 Ų191114.6 Ų114.672%0.72155%0.55SS*.Hα-helixtrans-69.9-43.4174.6-174.9180-179.5-179.60.1111.4Q177 Q178 R184 A185Q177-R181 PolarHBondContact O-N 3.43Å; Q177-R181 VanDerWaalsContact O-N 3.15Å; Q178-R181 CarbonylContact O-C 3.49Å; Q178-R181 WeakPolarHBondContact O-CA 3.48Å; Q178-R181 WeakPolarHBondContact O-CB 3.12Å; Q178-R181 PolarHBondContact O-N 2.9Å; R181-R184 CarbonylContact O-C 3.51Å; R181-R184 PolarHBondContact O-N 3.48Å; R181-A185 WeakPolarHBondContact O-CB 3.3Å; R181-A185 PolarHBondContact O-N 3.45Å
182E74.4Confident72.8Confident94 Ų94111.1 Ų111.144%0.43953%0.534SS..Hα-helixtrans-67.5-43.1178.8-72174-17100111.5Q178 E179 A185 Q186Q178-E182 HydrophobicContact CG-CG 4.32Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.1Å; Q178-E182 PolarHBondContact NE2-OE1 2.85Å; Q178-E182 WeakPolarHBondContact O-CG 3.48Å; Q178-E182 PolarHBondContact O-N 3.41Å; E179-E182 PolarHBondContact O-N 2.8Å; E182-A185 CarbonylContact O-C 3.56Å; E182-A185 WeakPolarHBondContact O-CA 3.32Å; E182-A185 WeakPolarHBondContact O-CB 3.45Å; E182-A185 PolarHBondContact O-N 3.49Å; E182-Q186 WeakPolarHBondContact O-CG 3.39Å; E182-Q186 PolarHBondContact O-N 3.41Å
183K75.4Confident72.6Confident132 Ų132110.8 Ų110.857%0.57454%0.543SS*.Hα-helixtrans-64.1-43.8173.7-170.8172.2-176.8175.80111.9E179 A185 Q186 D187E179-K183 WeakPolarHBondContact O-CB 3.43Å; E179-K183 PolarHBondContact O-N 3.21Å; K183-A185 PolarHBondContact O-N 3.07Å; K183-A185 VanDerWaalsContact O-N 3.14Å; K183-Q186 PolarHBondContact O-N 2.94Å; K183-D187 PolarHBondContact O-N 2.82Å
184R67Low72.8Confident167 Ų167103.9 Ų103.963%0.6352%0.519SS*.Hα-helixtrans-63.5-12.5169.8-76.1175.1176.4-161.4-0114L180 R181 V188L180-R184 HydrophobicContact CD1-CG 4.46Å; L180-R184 WeakPolarHBondContact O-CB 3.46Å; L180-R184 WeakPolarHBondContact O-CD 3.42Å; L180-R184 WeakPolarHBondContact O-CG 3.42Å; L180-R184 PolarHBondContact O-N 2.91Å; R181-R184 CarbonylContact O-C 3.51Å; R181-R184 PolarHBondContact O-N 3.48Å; R184-V188 WeakPolarHBondContact O-CG2 3.32Å
185A64.8Low73.1Confident57 Ų57100.3 Ų100.347%0.47151%0.506SS..Hα-helixtrans-99-12.1172.100000113.1R181 E182 K183 V188R181-A185 WeakPolarHBondContact O-CB 3.3Å; R181-A185 PolarHBondContact O-N 3.45Å; E182-A185 CarbonylContact O-C 3.56Å; E182-A185 WeakPolarHBondContact O-CA 3.32Å; E182-A185 WeakPolarHBondContact O-CB 3.45Å; E182-A185 PolarHBondContact O-N 3.49Å; K183-A185 PolarHBondContact O-N 3.07Å; K183-A185 VanDerWaalsContact O-N 3.14Å; A185-V188 WeakPolarHBondContact O-CB 3.43Å
186Q64.7Low73.1Confident154 Ų154100.7 Ų100.772%0.7251%0.506SS*.Hα-helixtrans-84.1-29.8170.4-71.7171.25.200111.8E182 K183 V188E182-Q186 WeakPolarHBondContact O-CG 3.39Å; E182-Q186 PolarHBondContact O-N 3.41Å; K183-Q186 PolarHBondContact O-N 2.94Å; Q186-V188 PolarHBondContact O-N 2.91Å
187D60.2Low73.5Confident136 Ų13695.2 Ų95.273%0.72748%0.48SS*.SBendtrans-7218.4171.4-63.9-39.3000113.4K183K183-D187 PolarHBondContact O-N 2.82Å
188V59.6Low74.2Confident26 Ų2692.2 Ų92.216%0.15847%0.467CS..SBendtrans-119.2139.6-166.6177.90000112.4R184 A185 Q186 A190 Y195R184-V188 WeakPolarHBondContact O-CG2 3.32Å; A185-V188 WeakPolarHBondContact O-CB 3.43Å; Q186-V188 PolarHBondContact O-N 2.91Å; V188-A190 PolarHBondContact O-N 3.07Å; V188-Y195 HydrophobicContact CB-CE1 4.42Å; V188-Y195 HydrophobicContact CB-CE2 4.36Å; V188-Y195 HydrophobicContact CG1-CD1 3.77Å; V188-Y195 HydrophobicContact CG1-CD2 3.56Å; V188-Y195 HydrophobicContact CG1-CE1 3.68Å; V188-Y195 HydrophobicContact CG1-CE2 3.49Å; V188-Y195 VanDerWaalsContact CG1-CE2 3.49Å; V188-Y195 HydrophobicContact CG1-CG 3.71Å; V188-Y195 HydrophobicContact CG2-CE1 3.81Å; V188-Y195 HydrophobicContact CG2-CE2 4.01Å; V188-Y195 VanDerWaalsContact CG2-CZ 3.42Å; V188-Y195 VanDerWaalsContact CG2-OH 3.25Å; V188-Y195 WeakPolarHBondContact CG2-OH 3.42Å
189D60.4Low74.7Confident83 Ų8388.1 Ų88.144%0.44445%0.45SS..  trans-69.181.7161.9177.815.9000110.6T191 N192 K241D189-T191 PolarHBondContact O-N 2.83Å; D189-T191 WeakPolarHBondContact OD1-CB 3.23Å; D189-T191 PolarHBondContact OD1-N 3.03Å; D189-T191 PolarHBondContact OD1-OG1 3.03Å; D189-N192 PolarHBondContact O-N 3.04Å; D189-N192 VanDerWaalsContact O-N 3.14Å; D189-K241 IonicContact OD1-NZ 3.45Å; D189-K241 IonicContact OD2-NZ 2.71Å; D189-K241 PolarHBondContact OD2-NZ 3.46Å
190A57.6Low75.2Confident95 Ų9586.3 Ų86.379%0.78544%0.442SS*.THydrogen-bonded Turntrans-62.50.4178.900000114.1V188V188-A190 PolarHBondContact O-N 3.07Å
191T68.3Low75.9Confident102 Ų10282.4 Ų82.463%0.62642%0.421SS*.THydrogen-bonded Turntrans-87.5-5.2173.576.60000113.7D189 P193 K241D189-T191 PolarHBondContact O-N 2.83Å; D189-T191 WeakPolarHBondContact OD1-CB 3.23Å; D189-T191 PolarHBondContact OD1-N 3.03Å; D189-T191 PolarHBondContact OD1-OG1 3.03Å; T191-P193 WeakPolarHBondContact O-CD 3.29Å; T191-K241 PolarHBondContact OG1-NZ 2.92Å
192N75.8Confident77Confident20 Ų2079.2 Ų79.211%0.10741%0.409CS..  trans-94.5109.2177.2-171.8-11.8000111.9D189 N194 Y195 K241D189-N192 PolarHBondContact O-N 3.04Å; D189-N192 VanDerWaalsContact O-N 3.14Å; N192-N194 PolarHBondContact O-N 2.89Å; N192-N194 VanDerWaalsContact O-N 3.1Å; N192-N194 PolarHBondContact OD1-N 2.94Å; N192-Y195 WeakPolarHBondContact O-CB 3.48Å; N192-Y195 PolarHBondContact O-N 3.24Å; N192-K241 HydrophobicContact CB-CD 4.23Å
193P79.4Confident77.8Confident103 Ų10379.4 Ų79.467%0.66941%0.413SS*.THydrogen-bonded Turntrans-66.8-12.3-179.129.6-36.7000114T191T191-P193 WeakPolarHBondContact O-CD 3.29Å
194N85.3Confident78.7Confident33 Ų3375.8 Ų75.818%0.17640%0.398CS..THydrogen-bonded Turntrans-101.710-179.4-53.8-41.1000112.8N192 E196 I197 M198 L243 M534N192-N194 PolarHBondContact O-N 2.89Å; N192-N194 VanDerWaalsContact O-N 3.1Å; N192-N194 PolarHBondContact OD1-N 2.94Å; N194-E196 VanDerWaalsContact C-N 3.32Å; N194-E196 PolarHBondContact O-N 3.36Å; N194-I197 PolarHBondContact O-N 2.83Å; N194-I197 VanDerWaalsContact O-N 3.15Å; N194-M198 PolarHBondContact O-N 3.48Å; N194-L243 HydrophobicContact CB-CD1 3.65Å; N194-L243 HydrophobicContact CB-CG 4.01Å; N194-M534 HydrophobicContact CB-CE 4.49Å
195Y84.9Confident80.1Confident66 Ų6670.7 Ų70.726%0.25938%0.379SS..Hα-helixtrans-55.1-39.7-173.1176.7-103.4000114.4V188 N192 M198 C199V188-Y195 HydrophobicContact CB-CE1 4.42Å; V188-Y195 HydrophobicContact CB-CE2 4.36Å; V188-Y195 HydrophobicContact CG1-CD1 3.77Å; V188-Y195 HydrophobicContact CG1-CD2 3.56Å; V188-Y195 HydrophobicContact CG1-CE1 3.68Å; V188-Y195 HydrophobicContact CG1-CE2 3.49Å; V188-Y195 VanDerWaalsContact CG1-CE2 3.49Å; V188-Y195 HydrophobicContact CG1-CG 3.71Å; V188-Y195 HydrophobicContact CG2-CE1 3.81Å; V188-Y195 HydrophobicContact CG2-CE2 4.01Å; V188-Y195 VanDerWaalsContact CG2-CZ 3.42Å; V188-Y195 VanDerWaalsContact CG2-OH 3.25Å; V188-Y195 WeakPolarHBondContact CG2-OH 3.42Å; N192-Y195 WeakPolarHBondContact O-CB 3.48Å; N192-Y195 PolarHBondContact O-N 3.24Å; Y195-M198 HydrophobicContact CD2-CE 3.52Å; Y195-M198 HydrophobicContact CE2-CE 3.55Å; Y195-M198 WeakPolarHBondContact O-CB 2.97Å; Y195-M198 PolarHBondContact O-N 2.82Å; Y195-C199 VanDerWaalsContact CE1-SG 3.53Å; Y195-C199 VanDerWaalsContact CE2-SG 3.55Å; Y195-C199 PolarHBondContact O-N 2.8Å; Y195-C199 PolarHBondContact O-SG 2.96Å; Y195-C199 PolarHBondContact OH-SG 3.43Å; Y195-C199 VanDerWaalsContact OH-SG 3.38Å
196E85.8Confident81.4Confident103 Ų10371.3 Ų71.348%0.48139%0.391SS..Hα-helixtrans-63-45.8178.6-60.2-174.4132.800111.7N194 M198 C199 M200 R267N194-E196 VanDerWaalsContact C-N 3.32Å; N194-E196 PolarHBondContact O-N 3.36Å; E196-M198 VanDerWaalsContact C-N 3.34Å; E196-M198 PolarHBondContact O-N 3.07Å; E196-C199 WeakPolarHBondContact O-CB 3.36Å; E196-C199 PolarHBondContact O-N 2.96Å; E196-M200 WeakPolarHBondContact O-CG 3.37Å; E196-M200 PolarHBondContact O-N 2.86Å; E196-R267 WeakPolarHBondContact OE2-CD 3.3Å; E196-R267 IonicContact OE2-NE 2.67Å; E196-R267 PolarHBondContact OE2-NE 2.7Å
197I91Very high82.8Confident9 Ų968.3 Ų68.35%0.04639%0.386CS..Hα-helixtrans-62.5-43.1176.7-63.3165.4000109.9N194 C199 M200 I201 L243 P259 L269 M534N194-I197 PolarHBondContact O-N 2.83Å; N194-I197 VanDerWaalsContact O-N 3.15Å; I197-C199 VanDerWaalsContact C-N 3.28Å; I197-C199 PolarHBondContact O-N 2.79Å; I197-M200 PolarHBondContact O-N 2.71Å; I197-I201 HydrophobicContact CG2-CD1 3.83Å; I197-I201 HydrophobicContact CG2-CG1 4.45Å; I197-I201 WeakPolarHBondContact O-CG1 3.36Å; I197-I201 PolarHBondContact O-N 2.8Å; I197-L243 HydrophobicContact CB-CD1 4.06Å; I197-L243 HydrophobicContact CG2-CD1 3.83Å; I197-P259 HydrophobicContact CD1-CB 3.9Å; I197-P259 HydrophobicContact CG1-CB 4.35Å; I197-P259 HydrophobicContact CG2-CB 4.07Å; I197-P259 HydrophobicContact CG2-CG 4.06Å; I197-L269 HydrophobicContact CG2-CD2 4.14Å; I197-M534 HydrophobicContact CD1-SD 4.28Å; I197-M534 HydrophobicContact CG2-SD 4.36Å
198M91.1Very high84.4Confident65 Ų6563.8 Ų63.832%0.3236%0.362SS..Hα-helixtrans-59-39175.5-171.8-165.57700112.1N194 Y195 E196 R202 L243N194-M198 PolarHBondContact O-N 3.48Å; Y195-M198 HydrophobicContact CD2-CE 3.52Å; Y195-M198 HydrophobicContact CE2-CE 3.55Å; Y195-M198 WeakPolarHBondContact O-CB 2.97Å; Y195-M198 PolarHBondContact O-N 2.82Å; E196-M198 VanDerWaalsContact C-N 3.34Å; E196-M198 PolarHBondContact O-N 3.07Å; M198-R202 VanDerWaalsContact O-CB 3.32Å; M198-R202 WeakPolarHBondContact O-CB 3.41Å; M198-R202 PolarHBondContact O-N 3.32Å; M198-L243 HydrophobicContact CB-CD1 3.87Å; M198-L243 HydrophobicContact CB-CD2 3.91Å; M198-L243 HydrophobicContact CG-CD2 3.96Å; M198-L243 HydrophobicContact SD-CD2 4.46Å
199C89.8Confident86Confident18 Ų1867.3 Ų67.312%0.12238%0.38CS..Hα-helixtrans-67.2-48.9175.1-670000111.6Y195 E196 I197 I201 R202 D203Y195-C199 VanDerWaalsContact CE1-SG 3.53Å; Y195-C199 VanDerWaalsContact CE2-SG 3.55Å; Y195-C199 PolarHBondContact O-N 2.8Å; Y195-C199 PolarHBondContact O-SG 2.96Å; Y195-C199 PolarHBondContact OH-SG 3.43Å; Y195-C199 VanDerWaalsContact OH-SG 3.38Å; E196-C199 WeakPolarHBondContact O-CB 3.36Å; E196-C199 PolarHBondContact O-N 2.96Å; I197-C199 VanDerWaalsContact C-N 3.28Å; I197-C199 PolarHBondContact O-N 2.79Å; C199-I201 VanDerWaalsContact C-N 3.26Å; C199-I201 PolarHBondContact O-N 3.16Å; C199-R202 PolarHBondContact O-N 2.85Å; C199-R202 VanDerWaalsContact O-N 3.16Å; C199-R202 PolarHBondContact SG-NH2 3.16Å; C199-R202 VanDerWaalsContact SG-NH2 3.38Å; C199-D203 WeakPolarHBondContact O-CB 3.42Å; C199-D203 PolarHBondContact O-N 2.78Å
200M92.9Very high87.6Confident69 Ų6968.3 Ų68.334%0.3438%0.378SS..Hα-helixtrans-55.7-42.4177.4-64.5171.7-174.900111.7E196 I197 F204 R267 L269E196-M200 WeakPolarHBondContact O-CG 3.37Å; E196-M200 PolarHBondContact O-N 2.86Å; I197-M200 PolarHBondContact O-N 2.71Å; M200-F204 VanDerWaalsContact O-CB 3.26Å; M200-F204 WeakPolarHBondContact O-CB 3.43Å; M200-F204 PolarHBondContact O-N 3.3Å; M200-R267 HydrophobicContact CE-CB 4.3Å; M200-L269 HydrophobicContact CB-CD1 3.58Å; M200-L269 HydrophobicContact CB-CG 3.9Å; M200-L269 HydrophobicContact SD-CG 4.41Å
201I94.6Very high89.4Confident7 Ų772.3 Ų72.34%0.03637%0.373CS..Hα-helixtrans-68-45177.6-66.3170.7000111.3I197 C199 R205 V245 H257 L269I197-I201 HydrophobicContact CG2-CD1 3.83Å; I197-I201 HydrophobicContact CG2-CG1 4.45Å; I197-I201 WeakPolarHBondContact O-CG1 3.36Å; I197-I201 PolarHBondContact O-N 2.8Å; C199-I201 VanDerWaalsContact C-N 3.26Å; C199-I201 PolarHBondContact O-N 3.16Å; I201-R205 HydrophobicContact CG2-CG 4.38Å; I201-R205 WeakPolarHBondContact O-CB 3.38Å; I201-R205 VanDerWaalsContact O-CG 3.23Å; I201-R205 WeakPolarHBondContact O-CG 3.33Å; I201-R205 PolarHBondContact O-N 2.62Å; I201-V245 HydrophobicContact CD1-CB 4.47Å; I201-V245 HydrophobicContact CD1-CG1 3.89Å; I201-H257 HydrophobicContact CD1-CB 4.13Å; I201-H257 HydrophobicContact CG1-CB 3.91Å; I201-L269 HydrophobicContact CD1-CD2 4.48Å; I201-L269 HydrophobicContact CG1-CD1 3.69Å; I201-L269 HydrophobicContact CG1-CD2 4.05Å
202R93.5Very high90.5Very high124 Ų12470.2 Ų70.247%0.46836%0.361SS..Hα-helixtrans-60.9-47178.1178.2-170.463.8-147.6-13.2111.4M198 C199 R205 G206M198-R202 VanDerWaalsContact O-CB 3.32Å; M198-R202 WeakPolarHBondContact O-CB 3.41Å; M198-R202 PolarHBondContact O-N 3.32Å; C199-R202 PolarHBondContact O-N 2.85Å; C199-R202 VanDerWaalsContact O-N 3.16Å; C199-R202 PolarHBondContact SG-NH2 3.16Å; C199-R202 VanDerWaalsContact SG-NH2 3.38Å; R202-R205 PolarHBondContact O-N 3.04Å; R202-G206 PolarHBondContact O-N 2.82Å
203D92.1Very high91.4Very high98 Ų9869.9 Ų69.952%0.52436%0.359SS..Hα-helixtrans-71.9-35.9-173.5-58.7-1.7000109.8C199 G206C199-D203 WeakPolarHBondContact O-CB 3.42Å; C199-D203 PolarHBondContact O-N 2.78Å; D203-G206 PolarHBondContact O-N 3.07Å
204F94Very high92.1Very high56 Ų5667.9 Ų67.925%0.24635%0.345CS..Hα-helixtrans-65.7-42.8168.7-173.6-91.6000113M200 G206 S207 L208 M255 H257 N271M200-F204 VanDerWaalsContact O-CB 3.26Å; M200-F204 WeakPolarHBondContact O-CB 3.43Å; M200-F204 PolarHBondContact O-N 3.3Å; F204-G206 PolarHBondContact O-N 2.84Å; F204-S207 PolarHBondContact O-N 3.44Å; F204-S207 VanDerWaalsContact O-N 3.1Å; F204-S207 PolarHBondContact O-OG 2.92Å; F204-L208 HydrophobicContact CD1-CD1 4.23Å; F204-L208 HydrophobicContact CD1-CG 4.5Å; F204-L208 HydrophobicContact CE1-CD1 4.01Å; F204-L208 HydrophobicContact CE1-CD2 3.97Å; F204-L208 HydrophobicContact CE1-CG 4.26Å; F204-L208 HydrophobicContact CZ-CD2 4.31Å; F204-M255 HydrophobicContact CE1-CE 3.82Å; F204-M255 HydrophobicContact CE1-SD 4.2Å; F204-M255 HydrophobicContact CZ-CE 3.82Å; F204-H257 AromaticContact CD1-CE1 3.47Å; F204-H257 VanDerWaalsContact CD1-CE1 3.47Å; F204-H257 WeakPolarHBondContact CD1-CE1 3.2Å; F204-H257 AromaticContact CE1-CE1 3.62Å; F204-N271 VanDerWaalsContact CE2-ND2 3.3Å; F204-N271 WeakPolarHBondContact CE2-ND2 3.41Å; F204-N271 HydrophobicContact CZ-CB 4.45Å
205R95.6Very high92.4Very high61 Ų6170.2 Ų70.223%0.2336%0.361CS..Hα-helixtrans-60.4-30.7174.7-79.2174.3172.7-170.7-7.4112.4I201 R202 S207 L208 D244 I246 T247I201-R205 HydrophobicContact CG2-CG 4.38Å; I201-R205 WeakPolarHBondContact O-CB 3.38Å; I201-R205 VanDerWaalsContact O-CG 3.23Å; I201-R205 WeakPolarHBondContact O-CG 3.33Å; I201-R205 PolarHBondContact O-N 2.62Å; R202-R205 PolarHBondContact O-N 3.04Å; R205-S207 PolarHBondContact O-N 2.6Å; R205-L208 PolarHBondContact O-N 3.45Å; R205-D244 IonicContact CZ-OD2 2.75Å; R205-D244 VanDerWaalsContact CZ-OD2 3.24Å; R205-D244 IonicContact NH1-OD2 3.53Å; R205-D244 PolarHBondContact NH1-OD2 2.92Å; R205-D244 VanDerWaalsContact NH2-CG 3.31Å; R205-D244 PolarHBondContact NH2-O 3.34Å; R205-D244 IonicContact NH2-OD1 3.7Å; R205-D244 IonicContact NH2-OD2 3.16Å; R205-D244 PolarHBondContact NH2-OD2 2.91Å; R205-I246 PolarHBondContact NH2-O 3.36Å; R205-T247 HydrophobicContact CG-CG2 4.38Å; R205-T247 PolarHBondContact NE-OG1 2.91Å; R205-T247 PolarHBondContact NH2-OG1 2.79Å
206G93.6Very high92.7Very high70 Ų7071.4 Ų71.472%0.72238%0.384SS*.THydrogen-bonded Turntrans-68.7-1517600000115R202 D203 F204R202-G206 PolarHBondContact O-N 2.82Å; D203-G206 PolarHBondContact O-N 3.07Å; F204-G206 PolarHBondContact O-N 2.84Å
207S93.4Very high93.1Very high90 Ų9067.9 Ų67.963%0.62937%0.369SS*.THydrogen-bonded Turntrans-101.56.1176.164.90000114.4F204 R205F204-S207 PolarHBondContact O-N 3.44Å; F204-S207 VanDerWaalsContact O-N 3.1Å; F204-S207 PolarHBondContact O-OG 2.92Å; R205-S207 PolarHBondContact O-N 2.6Å
208L94.1Very high93.2Very high41 Ų4171.1 Ų71.122%0.21539%0.39CS..  trans-96.5139.7-179.2-62.2176.2000111.9F204 R205 Y210 T247 P249 M255F204-L208 HydrophobicContact CD1-CD1 4.23Å; F204-L208 HydrophobicContact CD1-CG 4.5Å; F204-L208 HydrophobicContact CE1-CD1 4.01Å; F204-L208 HydrophobicContact CE1-CD2 3.97Å; F204-L208 HydrophobicContact CE1-CG 4.26Å; F204-L208 HydrophobicContact CZ-CD2 4.31Å; R205-L208 PolarHBondContact O-N 3.45Å; L208-Y210 HydrophobicContact CB-CD2 4.34Å; L208-Y210 HydrophobicContact CB-CE2 3.78Å; L208-Y210 WeakPolarHBondContact O-CD2 3.34Å; L208-T247 HydrophobicContact CD1-CG2 3.79Å; L208-P249 HydrophobicContact CD1-CB 4.44Å; L208-M255 HydrophobicContact CD1-SD 4.07Å; L208-M255 HydrophobicContact CD2-SD 4.21Å
209D93.9Very high93.2Very high100 Ų10070.7 Ų70.754%0.53539%0.389SS..  trans-83.7132.6164.2-176.514000109.8R211D209-R211 IonicContact OD1-NE 2.61Å; D209-R211 IonicContact OD2-CZ 3.14Å; D209-R211 IonicContact OD2-NE 2.71Å; D209-R211 PolarHBondContact OD2-NE 2.86Å; D209-R211 IonicContact OD2-NH2 2.76Å; D209-R211 PolarHBondContact OD2-NH2 3.49Å
210Y93.8Very high93Very high105 Ų10573.9 Ų73.941%0.41241%0.405SS..  trans-110.5110.3-173.1-76-93.2000111.1L208 P212 T247 P249L208-Y210 HydrophobicContact CB-CD2 4.34Å; L208-Y210 HydrophobicContact CB-CE2 3.78Å; L208-Y210 WeakPolarHBondContact O-CD2 3.34Å; Y210-P212 VanDerWaalsContact C-CD 3.44Å; Y210-P212 WeakPolarHBondContact O-CD 3.34Å; Y210-T247 HydrophobicContact CE1-CG2 3.98Å; Y210-P249 CarbonylContact C-O 3.55Å; Y210-P249 WeakPolarHBondContact CA-O 3.36Å
211R94.1Very high92.3Very high179 Ų17977.4 Ų77.468%0.67542%0.42SS*.BIsolated β-bridgetrans-126.463.4177.7-54.6-174.2-168-174.45.9110.2D209 P249 S250 K251D209-R211 IonicContact OD1-NE 2.61Å; D209-R211 IonicContact OD2-CZ 3.14Å; D209-R211 IonicContact OD2-NE 2.71Å; D209-R211 PolarHBondContact OD2-NE 2.86Å; D209-R211 IonicContact OD2-NH2 2.76Å; D209-R211 PolarHBondContact OD2-NH2 3.49Å; R211-P249 CarbonylContact C-O 3.4Å; R211-P249 PolarHBondContact N-O 3.35Å; R211-S250 CarbonylContact O-C 3.6Å; R211-S250 WeakPolarHBondContact O-CA 3.48Å; R211-K251 PolarHBondContact O-N 3.43Å
212P91.9Very high91.7Very high58 Ų5880.6 Ų80.638%0.37744%0.435SS..  trans-64157.8-175.128.5-36.6000112.4Y210 T214Y210-P212 VanDerWaalsContact C-CD 3.44Å; Y210-P212 WeakPolarHBondContact O-CD 3.34Å; P212-T214 PolarHBondContact O-N 2.91Å
213L93.8Very high91.1Very high13 Ų1380.8 Ų80.87%0.06844%0.436CS..  trans-60.9127.6178.5179.860000111.7D217 K251 Y278 F280 F292L213-D217 HydrophobicContact CD1-CB 3.72Å; L213-K251 HydrophobicContact CB-CB 3.63Å; L213-K251 HydrophobicContact CD1-CB 3.88Å; L213-K251 HydrophobicContact CD1-CD 4.13Å; L213-K251 HydrophobicContact CG-CB 4.3Å; L213-Y278 HydrophobicContact CD1-CD1 4.01Å; L213-Y278 HydrophobicContact CD1-CE1 4.44Å; L213-Y278 HydrophobicContact CD2-CD1 3.78Å; L213-Y278 HydrophobicContact CD2-CG 4.3Å; L213-F280 HydrophobicContact CD2-CD1 3.7Å; L213-F280 HydrophobicContact CD2-CE1 3.4Å; L213-F280 HydrophobicContact CD2-CZ 4.27Å; L213-F292 HydrophobicContact CD1-CE1 4.18Å; L213-F292 HydrophobicContact CD1-CE2 4.05Å; L213-F292 HydrophobicContact CD1-CZ 3.87Å; L213-F292 HydrophobicContact CD2-CD2 3.88Å; L213-F292 HydrophobicContact CD2-CE2 4.06Å; L213-F292 HydrophobicContact CD2-CG 4.3Å; L213-F292 HydrophobicContact CG-CD2 4.38Å; L213-F292 HydrophobicContact CG-CE2 4.05Å; L213-F292 HydrophobicContact CG-CZ 4.38Å
214T94.2Very high90.9Very high61 Ų6177.2 Ų77.237%0.37442%0.416SS..  trans-107.8165.917875.60000111.5P212 A216 D217 F292P212-T214 PolarHBondContact O-N 2.91Å; T214-A216 PolarHBondContact O-N 3.23Å; T214-A216 PolarHBondContact OG1-N 3.06Å; T214-A216 VanDerWaalsContact OG1-N 3.07Å; T214-D217 WeakPolarHBondContact CB-OD2 3.17Å; T214-D217 PolarHBondContact N-OD2 3.45Å; T214-D217 PolarHBondContact O-N 3.02Å; T214-D217 PolarHBondContact OG1-N 3.14Å; T214-D217 PolarHBondContact OG1-OD2 3.43Å; T214-F292 WeakPolarHBondContact O-CE2 3.19Å; T214-F292 WeakPolarHBondContact O-CZ 3.46Å
215T91.9Very high90.8Very high82 Ų8275.2 Ų75.250%0.50341%0.409SS..THydrogen-bonded Turntrans-72.4-5.4167.753.30000113.8M288 R291T215-M288 HydrophobicContact CG2-CE 4.19Å; T215-R291 PolarHBondContact O-NE 3.38Å; T215-R291 PolarHBondContact O-NH2 3.27Å
216A92.7Very high90.8Very high90 Ų9072.3 Ų72.374%0.74440%0.398SS*.THydrogen-bonded Turntrans-88.9-16.6177.300000112.8T214T214-A216 PolarHBondContact O-N 3.23Å; T214-A216 PolarHBondContact OG1-N 3.06Å; T214-A216 VanDerWaalsContact OG1-N 3.07Å
217D93.7Very high90.9Very high30 Ų3069 Ų6916%0.1636%0.364CS..SBendtrans-59.6146.3177.4-78.1-87000113L213 T214 K251 F292L213-D217 HydrophobicContact CD1-CB 3.72Å; T214-D217 WeakPolarHBondContact CB-OD2 3.17Å; T214-D217 PolarHBondContact N-OD2 3.45Å; T214-D217 PolarHBondContact O-N 3.02Å; T214-D217 PolarHBondContact OG1-N 3.14Å; T214-D217 PolarHBondContact OG1-OD2 3.43Å; D217-K251 WeakPolarHBondContact OD1-CD 3.26Å; D217-K251 WeakPolarHBondContact OD1-CE 3.04Å; D217-K251 IonicContact OD1-NZ 2.68Å; D217-K251 PolarHBondContact OD1-NZ 3.36Å; D217-F292 HydrophobicContact CB-CE1 4.16Å; D217-F292 HydrophobicContact CB-CZ 4.04Å
218P92.6Very high91.2Very high76 Ų7664.7 Ų64.749%0.49433%0.334SS..  trans-65.2163172.430.5-36000111.2
219I91.9Very high91.4Very high56 Ų5664 Ų6429%0.28733%0.328SS..  trans-114107.6176.8-58173.3000108.2Y278 R291 F292 P296I219-Y278 WeakPolarHBondContact CA-OH 3.44Å; I219-R291 HydrophobicContact CD1-CG 4.3Å; I219-F292 HydrophobicContact CG1-CD1 3.73Å; I219-F292 HydrophobicContact CG1-CE1 3.75Å; I219-P296 HydrophobicContact CG2-CG 3.69Å
220D84.6Confident91.6Very high86 Ų8659.6 Ų59.646%0.4630%0.304SS..  trans-82.6126.4-179.4-56.6-46.6000111.6H222 Y278D220-H222 PolarHBondContact O-N 2.96Å; D220-H222 PolarHBondContact O-ND1 3.28Å; D220-Y278 PolarHBondContact N-OH 3.33Å
221E78.3Confident91.8Very high143 Ų14356.3 Ų56.367%0.66829%0.291SS*.  trans-83.5111.9-175.8-71.6-165.1-149.900113.2R523E221-R523 IonicContact OE2-CZ 4Å; E221-R523 IonicContact OE2-NH1 2.86Å; E221-R523 PolarHBondContact OE2-NH1 3.01Å; E221-R523 IonicContact OE2-NH2 3.26Å; E221-R523 PolarHBondContact OE2-NH2 3.04Å
222H81.3Confident91.9Very high73 Ų7351.3 Ų51.334%0.33828%0.282SS..  trans-118.4146.8177.8-6382.6000111.4D220 C225D220-H222 PolarHBondContact O-N 2.96Å; D220-H222 PolarHBondContact O-ND1 3.28Å; H222-C225 HydrophobicContact CB-CB 4.33Å
223R82.4Confident92.1Very high129 Ų12951.1 Ų51.149%0.48728%0.277SS..SBendtrans-67.9-41.4173.9-176.7-179.9178-171.7-1.8111.7F517 R523 T524R223-F517 PolarHBondContact NH2-O 3.14Å; R223-R523 WeakPolarHBondContact O-CA 3.4Å; R223-T524 PolarHBondContact O-N 3.14Å
224I86.6Confident92Very high23 Ų2353.5 Ų53.512%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-120.2114168.7-57-179.4000106.3V226 T524 V550 F553I224-V226 HydrophobicContact CG2-CG2 4.13Å; I224-T524 CarbonylContact C-O 3.59Å; I224-T524 WeakPolarHBondContact CA-O 3.45Å; I224-V550 HydrophobicContact CG2-CG1 4.07Å; I224-F553 HydrophobicContact CD1-CB 4.34Å
225C92.6Very high91.9Very high14 Ų1459 Ų5910%0.09531%0.309CS..EExtended strand (participates in β ladder)trans-101.4130.8173.71800000110H222 D277 T524 C525 M526H222-C225 HydrophobicContact CB-CB 4.33Å; C225-D277 WeakPolarHBondContact CA-OD2 3.49Å; C225-D277 PolarHBondContact SG-OD2 3.47Å; C225-D277 VanDerWaalsContact SG-OD2 3.4Å; C225-T524 PolarHBondContact N-O 3.14Å; C225-C525 HydrophobicContact CB-CB 4.42Å; C225-C525 CarbonylContact O-C 3.55Å; C225-C525 VanDerWaalsContact O-CA 3.27Å; C225-C525 WeakPolarHBondContact O-CA 3.45Å; C225-M526 PolarHBondContact O-N 3.34Å
226V94.9Very high91.7Very high0 Ų060.9 Ų60.90%031%0.31CS..EExtended strand (participates in β ladder)trans-122.4117.8179.5-172.40000110.3I224 F276 D277 M526 A547 V550 K551I224-V226 HydrophobicContact CG2-CG2 4.13Å; V226-F276 HydrophobicContact CG1-CD1 3.87Å; V226-F276 HydrophobicContact CG1-CE1 4.17Å; V226-D277 PolarHBondContact N-OD2 3.08Å; V226-D277 PolarHBondContact O-N 3.12Å; V226-M526 HydrophobicContact CG1-CB 4.35Å; V226-M526 HydrophobicContact CG1-CG 4.38Å; V226-M526 HydrophobicContact CG1-SD 4.26Å; V226-M526 HydrophobicContact CG2-CB 4.4Å; V226-A547 HydrophobicContact CG1-CB 3.92Å; V226-V550 HydrophobicContact CG2-CB 4.07Å; V226-V550 HydrophobicContact CG2-CG1 3.77Å; V226-K551 HydrophobicContact CB-CB 4.11Å; V226-K551 HydrophobicContact CG2-CB 4Å
227C97.2Very high91.7Very high0 Ų057.7 Ų57.70%028%0.28CS..EExtended strand (participates in β ladder)trans-120.2154.5-178.4-54.70000111.3Y278 F280 T293 M526 A528C227-Y278 CarbonylContact C-O 3.36Å; C227-Y278 WeakPolarHBondContact CA-O 3.22Å; C227-Y278 WeakPolarHBondContact CB-O 3.47Å; C227-F280 HydrophobicContact CB-CD2 4.48Å; C227-F280 HydrophobicContact CB-CE2 3.79Å; C227-T293 HydrophobicContact CB-CG2 4.04Å; C227-M526 PolarHBondContact N-O 3.15Å; C227-A528 WeakPolarHBondContact O-CB 3.5Å; C227-A528 PolarHBondContact O-N 2.89Å
228V98.6Very high91.6Very high0 Ų060.5 Ų60.50%030%0.298CS..EExtended strand (participates in β ladder)trans-118.7138.3170.6173.50000110V254 F276 Y278 F280 A528 I530 L544V228-V254 HydrophobicContact CB-CG2 3.85Å; V228-V254 HydrophobicContact CG1-CG1 4.44Å; V228-V254 HydrophobicContact CG1-CG2 3.84Å; V228-V254 HydrophobicContact CG2-CG2 4.23Å; V228-F276 HydrophobicContact CB-CD2 4.2Å; V228-F276 HydrophobicContact CG2-CD1 3.96Å; V228-F276 HydrophobicContact CG2-CD2 3.39Å; V228-F276 HydrophobicContact CG2-CE1 4.01Å; V228-F276 HydrophobicContact CG2-CE2 3.42Å; V228-F276 VanDerWaalsContact CG2-CE2 3.42Å; V228-F276 HydrophobicContact CG2-CG 3.66Å; V228-F276 HydrophobicContact CG2-CZ 3.75Å; V228-Y278 PolarHBondContact N-O 2.71Å; V228-F280 VanDerWaalsContact O-CD2 3.32Å; V228-F280 WeakPolarHBondContact O-CD2 3.07Å; V228-F280 PolarHBondContact O-N 2.71Å; V228-A528 CarbonylContact C-O 3.59Å; V228-A528 WeakPolarHBondContact CA-O 3.37Å; V228-A528 HydrophobicContact CG2-CB 4.01Å; V228-I530 HydrophobicContact CG1-CD1 3.65Å; V228-I530 HydrophobicContact CG1-CG1 4.03Å; V228-I530 HydrophobicContact CG1-CG2 4.44Å; V228-L544 HydrophobicContact CB-CD2 4.43Å; V228-L544 HydrophobicContact CG1-CD2 3.92Å; V228-L544 HydrophobicContact CG2-CD2 3.6Å
229R98.6Very high91.6Very high25 Ų2564.1 Ų64.19%0.09431%0.309CS..EExtended strand (participates in β ladder)trans-121.2118.2169.7-176-175.6-164.8178.68.9111F280 A284 N286 V289 T322 A528 T529 I530R229-F280 HydrophobicContact CB-CB 4.21Å; R229-F280 HydrophobicContact CB-CD2 4.23Å; R229-F280 HydrophobicContact CG-CB 4.1Å; R229-A284 PolarHBondContact NH2-O 2.72Å; R229-N286 PolarHBondContact NH1-OD1 2.86Å; R229-N286 PolarHBondContact NH2-OD1 2.98Å; R229-N286 VanDerWaalsContact NH2-OD1 3.11Å; R229-V289 HydrophobicContact CG-CG2 4.4Å; R229-T322 PolarHBondContact NH1-OG1 2.77Å; R229-A528 PolarHBondContact N-O 2.94Å; R229-T529 HydrophobicContact CB-CG2 4.41Å; R229-T529 WeakPolarHBondContact O-CA 3.27Å; R229-I530 PolarHBondContact O-N 3.49Å
230K98.5Very high91.4Very high9 Ų968.9 Ų68.94%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-73.5141.9161.7-172.6-171.9179.5-168.90108.7D244 I246 I248 F280 D282 I530 P532K230-D244 WeakPolarHBondContact CE-OD1 3.36Å; K230-D244 IonicContact NZ-OD1 3.32Å; K230-D244 PolarHBondContact NZ-OD1 2.81Å; K230-D244 IonicContact NZ-OD2 3.59Å; K230-D244 PolarHBondContact NZ-OD2 2.86Å; K230-I246 HydrophobicContact CD-CB 4.27Å; K230-I246 HydrophobicContact CD-CG2 3.99Å; K230-I246 VanDerWaalsContact CE-O 3.27Å; K230-I246 WeakPolarHBondContact CE-O 3.4Å; K230-I246 HydrophobicContact CG-CG2 4.13Å; K230-I246 PolarHBondContact NZ-O 2.99Å; K230-I248 HydrophobicContact CB-CD1 3.82Å; K230-F280 PolarHBondContact N-O 2.91Å; K230-D282 HydrophobicContact CD-CB 3.99Å; K230-D282 WeakPolarHBondContact CE-OD2 3.18Å; K230-D282 HydrophobicContact CG-CB 4.18Å; K230-D282 IonicContact NZ-OD2 3.18Å; K230-D282 PolarHBondContact NZ-OD2 2.79Å; K230-I530 HydrophobicContact CB-CG1 4.43Å; K230-P532 HydrophobicContact CG-CB 4.46Å
231R97.2Very high91.7Very high36 Ų3668.5 Ų68.514%0.13633%0.326CS..PPolyproline II helixtrans-103.4157.2162.364.3156.4179.182.92.7109.9E237 G316 I530 S531 P532R231-E237 IonicContact CZ-OE1 2.96Å; R231-E237 IonicContact CZ-OE2 2.8Å; R231-E237 IonicContact NH1-OE1 3.65Å; R231-E237 PolarHBondContact NH1-OE1 2.85Å; R231-E237 IonicContact NH1-OE2 2.81Å; R231-E237 PolarHBondContact NH1-OE2 2.61Å; R231-E237 IonicContact NH2-OE1 3.64Å; R231-E237 PolarHBondContact NH2-OE1 2.96Å; R231-E237 IonicContact NH2-OE2 2.67Å; R231-G316 WeakPolarHBondContact CD-O 3.31Å; R231-G316 PolarHBondContact NE-O 3.29Å; R231-I530 PolarHBondContact N-O 2.84Å; R231-S531 PolarHBondContact NH2-OG 3.09Å; R231-P532 VanDerWaalsContact O-CD 3.26Å; R231-P532 WeakPolarHBondContact O-CD 3.42Å; R231-P532 WeakPolarHBondContact O-CG 3.33Å
232P97.1Very high92.4Very high73 Ų7362.9 Ų62.947%0.47430%0.3SS..PPolyproline II helixtrans-63.6159.7169.425.5-34000111.9D282P232-D282 HydrophobicContact CB-CB 4.04Å
233L95.5Very high93Very high54 Ų5460.2 Ų60.228%0.28329%0.288SS..PPolyproline II helixtrans-59.1136.2165.8-74.7167.3000109.2E237 D244 P532L233-E237 WeakPolarHBondContact CA-OE2 3.28Å; L233-E237 HydrophobicContact CB-CB 4.48Å; L233-E237 HydrophobicContact CD2-CB 3.78Å; L233-E237 HydrophobicContact CD2-CG 4.42Å; L233-D244 HydrophobicContact CD1-CB 3.88Å; L233-D244 HydrophobicContact CG-CB 4.37Å; L233-P532 HydrophobicContact CB-CG 4.47Å; L233-P532 HydrophobicContact CD2-CB 4.37Å; L233-P532 HydrophobicContact CD2-CG 3.76Å; L233-P532 HydrophobicContact CG-CB 4.4Å; L233-P532 HydrophobicContact CG-CG 3.83Å
234N91.5Very high93.7Very high64 Ų6455.3 Ų55.334%0.34227%0.272SS..PPolyproline II helixtrans-90.8161.1177.885.277.2000111.2K236 E237 T238N234-K236 PolarHBondContact O-N 3.24Å; N234-K236 WeakPolarHBondContact OD1-CB 3.44Å; N234-K236 PolarHBondContact OD1-N 2.78Å; N234-E237 PolarHBondContact N-OE2 2.82Å; N234-E237 WeakPolarHBondContact ND2-CG 3.32Å; N234-E237 PolarHBondContact ND2-OE1 2.98Å; N234-E237 PolarHBondContact ND2-OE2 3.05Å; N234-E237 WeakPolarHBondContact O-CB 3.27Å; N234-E237 PolarHBondContact O-N 3.24Å; N234-T238 PolarHBondContact O-N 2.91Å; N234-T238 PolarHBondContact O-OG1 3.25Å
235K91.4Very high94.2Very high175 Ų17554.3 Ų54.376%0.76127%0.267SS*.Hα-helixtrans-51.8-31.7-174.6-65.7-174.9178.2-177.30114.5Q239K235-Q239 VanDerWaalsContact O-CB 3.32Å; K235-Q239 WeakPolarHBondContact O-CB 3.27Å; K235-Q239 VanDerWaalsContact O-CD 3.3Å; K235-Q239 WeakPolarHBondContact O-CG 3.34Å; K235-Q239 PolarHBondContact O-N 2.9Å; K235-Q239 PolarHBondContact O-OE1 3.46Å
236K89.6Confident94.5Very high122 Ų12253.6 Ų53.653%0.5326%0.262SS..Hα-helixtrans-72.4-43.2176.5-59.7179.6-179.3176.40112N234 T238 Q239 M240N234-K236 PolarHBondContact O-N 3.24Å; N234-K236 WeakPolarHBondContact OD1-CB 3.44Å; N234-K236 PolarHBondContact OD1-N 2.78Å; K236-T238 VanDerWaalsContact C-N 3.34Å; K236-Q239 PolarHBondContact O-N 2.86Å; K236-M240 WeakPolarHBondContact O-CB 3.11Å; K236-M240 VanDerWaalsContact O-CG 3.27Å; K236-M240 WeakPolarHBondContact O-CG 3.32Å; K236-M240 PolarHBondContact O-N 2.85Å
237E92.7Very high94.7Very high24 Ų2453.8 Ų53.811%0.11226%0.263CS..Hα-helixtrans-61.9-45177.1-68.5162.7162.600110.1R231 L233 N234 Q239 M240 K241 D242R231-E237 IonicContact CZ-OE1 2.96Å; R231-E237 IonicContact CZ-OE2 2.8Å; R231-E237 IonicContact NH1-OE1 3.65Å; R231-E237 PolarHBondContact NH1-OE1 2.85Å; R231-E237 IonicContact NH1-OE2 2.81Å; R231-E237 PolarHBondContact NH1-OE2 2.61Å; R231-E237 IonicContact NH2-OE1 3.64Å; R231-E237 PolarHBondContact NH2-OE1 2.96Å; R231-E237 IonicContact NH2-OE2 2.67Å; L233-E237 WeakPolarHBondContact CA-OE2 3.28Å; L233-E237 HydrophobicContact CB-CB 4.48Å; L233-E237 HydrophobicContact CD2-CB 3.78Å; L233-E237 HydrophobicContact CD2-CG 4.42Å; N234-E237 PolarHBondContact N-OE2 2.82Å; N234-E237 WeakPolarHBondContact ND2-CG 3.32Å; N234-E237 PolarHBondContact ND2-OE1 2.98Å; N234-E237 PolarHBondContact ND2-OE2 3.05Å; N234-E237 WeakPolarHBondContact O-CB 3.27Å; N234-E237 PolarHBondContact O-N 3.24Å; E237-Q239 PolarHBondContact O-N 2.84Å; E237-M240 CarbonylContact O-C 3.44Å; E237-M240 PolarHBondContact O-N 3.25Å; E237-K241 PolarHBondContact O-N 3.01Å; E237-D242 HydrophobicContact CB-CB 4.07Å; E237-D242 WeakPolarHBondContact O-CB 3.47Å; E237-D242 PolarHBondContact O-N 2.95Å
238T91.3Very high94.7Very high89 Ų8954.3 Ų54.355%0.54627%0.266SS..Hα-helixtrans-61.6-41.4173.9-42.30000112.6N234 K236 M240 K241N234-T238 PolarHBondContact O-N 2.91Å; N234-T238 PolarHBondContact O-OG1 3.25Å; K236-T238 VanDerWaalsContact C-N 3.34Å; T238-M240 VanDerWaalsContact C-N 3.31Å; T238-M240 PolarHBondContact O-N 3.06Å; T238-K241 PolarHBondContact O-N 3.39Å
239Q91.2Very high94.6Very high152 Ų15255 Ų5571%0.7127%0.27SS*.Hα-helixtrans-65.1-33.4176.1-79.1166.1-11.500112.8K235 K236 E237 K241K235-Q239 VanDerWaalsContact O-CB 3.32Å; K235-Q239 WeakPolarHBondContact O-CB 3.27Å; K235-Q239 VanDerWaalsContact O-CD 3.3Å; K235-Q239 WeakPolarHBondContact O-CG 3.34Å; K235-Q239 PolarHBondContact O-N 2.9Å; K235-Q239 PolarHBondContact O-OE1 3.46Å; K236-Q239 PolarHBondContact O-N 2.86Å; E237-Q239 PolarHBondContact O-N 2.84Å; Q239-K241 VanDerWaalsContact C-N 3.26Å; Q239-K241 PolarHBondContact O-N 2.9Å
240M89.4Confident94.5Very high156 Ų15654.8 Ų54.877%0.76827%0.273SS*.THydrogen-bonded Turntrans-82.32.6175.8-66.1-60.6-60.700113.6K236 E237 T238 D242K236-M240 WeakPolarHBondContact O-CB 3.11Å; K236-M240 VanDerWaalsContact O-CG 3.27Å; K236-M240 WeakPolarHBondContact O-CG 3.32Å; K236-M240 PolarHBondContact O-N 2.85Å; E237-M240 CarbonylContact O-C 3.44Å; E237-M240 PolarHBondContact O-N 3.25Å; T238-M240 VanDerWaalsContact C-N 3.31Å; T238-M240 PolarHBondContact O-N 3.06Å; M240-D242 PolarHBondContact O-N 2.87Å
241K89.1Confident94.3Very high78 Ų7857.3 Ų57.334%0.33928%0.284SS..THydrogen-bonded Turntrans53.633.5-172.1-55-172.2-177.2-174.70113.7D189 T191 N192 E237 T238 Q239D189-K241 IonicContact OD1-NZ 3.45Å; D189-K241 IonicContact OD2-NZ 2.71Å; D189-K241 PolarHBondContact OD2-NZ 3.46Å; T191-K241 PolarHBondContact OG1-NZ 2.92Å; N192-K241 HydrophobicContact CB-CD 4.23Å; E237-K241 PolarHBondContact O-N 3.01Å; T238-K241 PolarHBondContact O-N 3.39Å; Q239-K241 VanDerWaalsContact C-N 3.26Å; Q239-K241 PolarHBondContact O-N 2.9Å
242D93.1Very high94.2Very high25 Ų2557.1 Ų57.113%0.13429%0.285CS..  trans-65.4143.2172.8-167.310.5000110.2E237 M240 G533 M534 A535E237-D242 HydrophobicContact CB-CB 4.07Å; E237-D242 WeakPolarHBondContact O-CB 3.47Å; E237-D242 PolarHBondContact O-N 2.95Å; M240-D242 PolarHBondContact O-N 2.87Å; D242-G533 WeakPolarHBondContact OD2-CA 3.41Å; D242-M534 VanDerWaalsContact OD1-CB 3.31Å; D242-M534 WeakPolarHBondContact OD1-CB 3.38Å; D242-M534 PolarHBondContact OD1-N 2.89Å; D242-A535 PolarHBondContact OD1-N 3.31Å
243L94.4Very high94.2Very high16 Ų1654.7 Ų54.78%0.08427%0.269CS..  trans-94.4141.1-175.4-61.5-172000111.3N194 I197 M198 V245 G533 M534N194-L243 HydrophobicContact CB-CD1 3.65Å; N194-L243 HydrophobicContact CB-CG 4.01Å; I197-L243 HydrophobicContact CB-CD1 4.06Å; I197-L243 HydrophobicContact CG2-CD1 3.83Å; M198-L243 HydrophobicContact CB-CD1 3.87Å; M198-L243 HydrophobicContact CB-CD2 3.91Å; M198-L243 HydrophobicContact CG-CD2 3.96Å; M198-L243 HydrophobicContact SD-CD2 4.46Å; L243-V245 HydrophobicContact CB-CG1 4.47Å; L243-V245 PolarHBondContact O-N 3.48Å; L243-G533 CarbonylContact O-C 3.5Å; L243-G533 VanDerWaalsContact O-CA 3.32Å; L243-G533 WeakPolarHBondContact O-CA 3.47Å; L243-M534 HydrophobicContact CB-CB 4.29Å; L243-M534 HydrophobicContact CD1-SD 4.38Å; L243-M534 PolarHBondContact O-N 3.31Å
244D97.4Very high94.4Very high27 Ų2752.1 Ų52.114%0.14426%0.255CS..BIsolated β-bridgetrans-78.1106.2167.3169.335000110.2R205 K230 L233 I246 P532R205-D244 IonicContact CZ-OD2 2.75Å; R205-D244 VanDerWaalsContact CZ-OD2 3.24Å; R205-D244 IonicContact NH1-OD2 3.53Å; R205-D244 PolarHBondContact NH1-OD2 2.92Å; R205-D244 VanDerWaalsContact NH2-CG 3.31Å; R205-D244 PolarHBondContact NH2-O 3.34Å; R205-D244 IonicContact NH2-OD1 3.7Å; R205-D244 IonicContact NH2-OD2 3.16Å; R205-D244 PolarHBondContact NH2-OD2 2.91Å; K230-D244 WeakPolarHBondContact CE-OD1 3.36Å; K230-D244 IonicContact NZ-OD1 3.32Å; K230-D244 PolarHBondContact NZ-OD1 2.81Å; K230-D244 IonicContact NZ-OD2 3.59Å; K230-D244 PolarHBondContact NZ-OD2 2.86Å; L233-D244 HydrophobicContact CD1-CB 3.88Å; L233-D244 HydrophobicContact CG-CB 4.37Å; D244-I246 PolarHBondContact OD1-N 3.06Å; D244-P532 WeakPolarHBondContact CA-O 3.18Å; D244-P532 HydrophobicContact CB-CB 4.4Å; D244-P532 VanDerWaalsContact OD1-CB 3.26Å; D244-P532 WeakPolarHBondContact OD1-CB 3.34Å
245V98.1Very high94.7Very high1 Ų150 Ų501%0.00624%0.244CC..  trans-97.39.2-179.5-58.90000113.4I201 L243 H257 P259 P532 M534 C537I201-V245 HydrophobicContact CD1-CB 4.47Å; I201-V245 HydrophobicContact CD1-CG1 3.89Å; L243-V245 HydrophobicContact CB-CG1 4.47Å; L243-V245 PolarHBondContact O-N 3.48Å; V245-H257 HydrophobicContact CB-CB 4.38Å; V245-H257 PolarHBondContact O-CD2 2.91Å; V245-H257 VanDerWaalsContact O-CD2 3.27Å; V245-H257 PolarHBondContact O-N 2.81Å; V245-P259 HydrophobicContact CG1-CG 4.38Å; V245-P532 WeakPolarHBondContact CG2-O 3.49Å; V245-P532 PolarHBondContact N-O 3.08Å; V245-M534 HydrophobicContact CG1-CB 3.73Å; V245-M534 HydrophobicContact CG1-CG 3.86Å; V245-C537 HydrophobicContact CG2-CB 4.33Å
246I98.4Very high95Very high0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-118.9120.9-173-55.9-61.5000111.3R205 K230 D244 V254 V256 I530 T540R205-I246 PolarHBondContact NH2-O 3.36Å; K230-I246 HydrophobicContact CD-CB 4.27Å; K230-I246 HydrophobicContact CD-CG2 3.99Å; K230-I246 VanDerWaalsContact CE-O 3.27Å; K230-I246 WeakPolarHBondContact CE-O 3.4Å; K230-I246 HydrophobicContact CG-CG2 4.13Å; K230-I246 PolarHBondContact NZ-O 2.99Å; D244-I246 PolarHBondContact OD1-N 3.06Å; I246-V254 HydrophobicContact CG2-CG1 4.33Å; I246-V256 HydrophobicContact CD1-CB 4.2Å; I246-V256 HydrophobicContact CD1-CG1 3.92Å; I246-V256 HydrophobicContact CD1-CG2 3.82Å; I246-I530 HydrophobicContact CG2-CD1 3.68Å; I246-T540 HydrophobicContact CD1-CG2 3.61Å; I246-T540 HydrophobicContact CG1-CG2 4.38Å
247T98.1Very high95.4Very high4 Ų435.8 Ų35.83%0.02518%0.182CC..EExtended strand (participates in β ladder)trans-120.1134.7177.9-53.50000110.6R205 L208 Y210 M255 H257R205-T247 HydrophobicContact CG-CG2 4.38Å; R205-T247 PolarHBondContact NE-OG1 2.91Å; R205-T247 PolarHBondContact NH2-OG1 2.79Å; L208-T247 HydrophobicContact CD1-CG2 3.79Å; Y210-T247 HydrophobicContact CE1-CG2 3.98Å; T247-M255 PolarHBondContact N-O 3.41Å; T247-M255 WeakPolarHBondContact O-CB 3.49Å; T247-M255 PolarHBondContact O-N 2.94Å; T247-H257 WeakPolarHBondContact CB-NE2 2.89Å; T247-H257 PolarHBondContact OG1-CD2 2.94Å; T247-H257 PolarHBondContact OG1-NE2 3.09Å
248I98.1Very high95.6Very high11 Ų1136.2 Ų36.26%0.05618%0.184CC..  trans-12092176-69.5177.3000106K230 S250 V254 A279 F280 D281K230-I248 HydrophobicContact CB-CD1 3.82Å; I248-S250 WeakPolarHBondContact CG2-O 3.45Å; I248-V254 HydrophobicContact CD1-CG2 4.17Å; I248-V254 HydrophobicContact CG1-CB 4.46Å; I248-V254 HydrophobicContact CG1-CG1 4.3Å; I248-V254 HydrophobicContact CG1-CG2 4.14Å; I248-A279 HydrophobicContact CD1-CB 4.38Å; I248-A279 HydrophobicContact CG2-CB 3.73Å; I248-F280 WeakPolarHBondContact CD1-O 3.42Å; I248-D281 HydrophobicContact CB-CB 4.49Å
249P96.3Very high95.7Very high13 Ų1333.7 Ų33.78%0.08417%0.169CC..  trans-80.5-31-175.931.6-34.8000112.2L208 Y210 R211 V253 M255L208-P249 HydrophobicContact CD1-CB 4.44Å; Y210-P249 CarbonylContact C-O 3.55Å; Y210-P249 WeakPolarHBondContact CA-O 3.36Å; R211-P249 CarbonylContact C-O 3.4Å; R211-P249 PolarHBondContact N-O 3.35Å; P249-V253 HydrophobicContact CG-CB 4.21Å; P249-V253 HydrophobicContact CG-CG1 3.94Å; P249-M255 HydrophobicContact CG-CG 4.25Å; P249-M255 HydrophobicContact CG-SD 3.93Å
250S96.1Very high95.8Very high22 Ų2229.4 Ų29.415%0.15415%0.148CC..BIsolated β-bridgetrans-123.8170.4178.976.40000111.7R211 I248 D252 V253R211-S250 CarbonylContact O-C 3.6Å; R211-S250 WeakPolarHBondContact O-CA 3.48Å; I248-S250 WeakPolarHBondContact CG2-O 3.45Å; S250-D252 WeakPolarHBondContact CB-OD1 3.49Å; S250-D252 PolarHBondContact O-N 2.88Å; S250-D252 VanDerWaalsContact O-N 3.1Å; S250-D252 PolarHBondContact OG-N 2.82Å; S250-D252 PolarHBondContact OG-OD1 3Å; S250-V253 VanDerWaalsContact OG-CB 3.23Å; S250-V253 WeakPolarHBondContact OG-CB 3.33Å; S250-V253 WeakPolarHBondContact OG-CG2 2.89Å; S250-V253 PolarHBondContact OG-N 2.97Å
251K95.1Very high96Very high62 Ų6227.2 Ų27.227%0.2714%0.136SC..SBendtrans-61.2-11.1174.171.3172.6179.9175.80116.4R211 L213 D217 Y278 A279R211-K251 PolarHBondContact O-N 3.43Å; L213-K251 HydrophobicContact CB-CB 3.63Å; L213-K251 HydrophobicContact CD1-CB 3.88Å; L213-K251 HydrophobicContact CD1-CD 4.13Å; L213-K251 HydrophobicContact CG-CB 4.3Å; D217-K251 WeakPolarHBondContact OD1-CD 3.26Å; D217-K251 WeakPolarHBondContact OD1-CE 3.04Å; D217-K251 IonicContact OD1-NZ 2.68Å; D217-K251 PolarHBondContact OD1-NZ 3.36Å; K251-Y278 CarbonylContact O-C 3.58Å; K251-Y278 WeakPolarHBondContact O-CA 3.43Å; K251-A279 PolarHBondContact O-N 2.69Å
252D95.3Very high96Very high31 Ų3129 Ų2917%0.16614%0.144CC..SBendtrans-129.6-15.9-17470.7-55.8000114.1S250 R275 F276S250-D252 WeakPolarHBondContact CB-OD1 3.49Å; S250-D252 PolarHBondContact O-N 2.88Å; S250-D252 VanDerWaalsContact O-N 3.1Å; S250-D252 PolarHBondContact OG-N 2.82Å; S250-D252 PolarHBondContact OG-OD1 3Å; D252-R275 WeakPolarHBondContact O-CA 3.49Å; D252-R275 IonicContact OD2-CZ 2.63Å; D252-R275 IonicContact OD2-NE 2.74Å; D252-R275 PolarHBondContact OD2-NE 2.83Å; D252-R275 IonicContact OD2-NH2 2.71Å; D252-R275 PolarHBondContact OD2-NH2 2.74Å; D252-F276 PolarHBondContact O-N 3.07Å
253V97.3Very high96Very high22 Ų2235.1 Ų35.113%0.13318%0.181CC..EExtended strand (participates in β ladder)trans-99.5134-175.4175.10000111.8P249 S250 M255 T273 F274 R275P249-V253 HydrophobicContact CG-CB 4.21Å; P249-V253 HydrophobicContact CG-CG1 3.94Å; S250-V253 VanDerWaalsContact OG-CB 3.23Å; S250-V253 WeakPolarHBondContact OG-CB 3.33Å; S250-V253 WeakPolarHBondContact OG-CG2 2.89Å; S250-V253 PolarHBondContact OG-N 2.97Å; V253-M255 HydrophobicContact CG1-CG 3.86Å; V253-T273 HydrophobicContact CG1-CG2 3.69Å; V253-F274 WeakPolarHBondContact CA-O 3.34Å; V253-R275 HydrophobicContact CG2-CG 4.09Å
254V98.4Very high95.8Very high0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-120.4122.8168.3-176.40000108.9V228 I246 I248 F274 F276 A279 I530 L544V228-V254 HydrophobicContact CB-CG2 3.85Å; V228-V254 HydrophobicContact CG1-CG1 4.44Å; V228-V254 HydrophobicContact CG1-CG2 3.84Å; V228-V254 HydrophobicContact CG2-CG2 4.23Å; I246-V254 HydrophobicContact CG2-CG1 4.33Å; I248-V254 HydrophobicContact CD1-CG2 4.17Å; I248-V254 HydrophobicContact CG1-CB 4.46Å; I248-V254 HydrophobicContact CG1-CG1 4.3Å; I248-V254 HydrophobicContact CG1-CG2 4.14Å; V254-F274 PolarHBondContact N-O 3.07Å; V254-F274 PolarHBondContact O-N 2.85Å; V254-F276 HydrophobicContact CB-CD2 4.41Å; V254-F276 HydrophobicContact CB-CE2 4.35Å; V254-F276 HydrophobicContact CG2-CD2 3.81Å; V254-F276 HydrophobicContact CG2-CE2 4.15Å; V254-A279 HydrophobicContact CG2-CB 3.77Å; V254-I530 HydrophobicContact CG1-CD1 4.08Å; V254-L544 HydrophobicContact CG1-CD1 4.11Å; V254-L544 HydrophobicContact CG1-CD2 4.09Å
255M98Very high95.4Very high19 Ų1943.8 Ų43.89%0.09423%0.227CC..EExtended strand (participates in β ladder)trans-107.8135.9176.5-51.6-173.385.300110.5F204 L208 T247 P249 V253 Q272 T273F204-M255 HydrophobicContact CE1-CE 3.82Å; F204-M255 HydrophobicContact CE1-SD 4.2Å; F204-M255 HydrophobicContact CZ-CE 3.82Å; L208-M255 HydrophobicContact CD1-SD 4.07Å; L208-M255 HydrophobicContact CD2-SD 4.21Å; T247-M255 PolarHBondContact N-O 3.41Å; T247-M255 WeakPolarHBondContact O-CB 3.49Å; T247-M255 PolarHBondContact O-N 2.94Å; P249-M255 HydrophobicContact CG-CG 4.25Å; P249-M255 HydrophobicContact CG-SD 3.93Å; V253-M255 HydrophobicContact CG1-CG 3.86Å; M255-Q272 CarbonylContact C-O 3.59Å; M255-Q272 WeakPolarHBondContact CA-O 3.33Å; M255-T273 HydrophobicContact CG-CG2 4.48Å
256V98.5Very high95Very high0 Ų046.9 Ų46.90%025%0.246CC..EExtended strand (participates in β ladder)trans-114.6121.6173-173.30000108.5I246 E258 N271 Q272 F274 L541 L544I246-V256 HydrophobicContact CD1-CB 4.2Å; I246-V256 HydrophobicContact CD1-CG1 3.92Å; I246-V256 HydrophobicContact CD1-CG2 3.82Å; V256-E258 PolarHBondContact O-N 3.22Å; V256-N271 CarbonylContact O-C 3.6Å; V256-N271 WeakPolarHBondContact O-CA 3.48Å; V256-Q272 PolarHBondContact N-O 2.85Å; V256-Q272 PolarHBondContact O-N 2.82Å; V256-F274 HydrophobicContact CG2-CD2 4.3Å; V256-F274 HydrophobicContact CG2-CE2 3.92Å; V256-L541 HydrophobicContact CB-CD2 4.04Å; V256-L541 HydrophobicContact CG1-CD1 4.46Å; V256-L541 HydrophobicContact CG1-CD2 3.89Å; V256-L541 HydrophobicContact CG1-CG 4.08Å; V256-L541 HydrophobicContact CG2-CD2 3.99Å; V256-L544 HydrophobicContact CG2-CD1 3.39Å
257H97.7Very high94.6Very high0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-89.672.9174.6-53.6-57.5000108.9I201 F204 V245 T247 P259 L269 N271I201-H257 HydrophobicContact CD1-CB 4.13Å; I201-H257 HydrophobicContact CG1-CB 3.91Å; F204-H257 AromaticContact CD1-CE1 3.47Å; F204-H257 VanDerWaalsContact CD1-CE1 3.47Å; F204-H257 WeakPolarHBondContact CD1-CE1 3.2Å; F204-H257 AromaticContact CE1-CE1 3.62Å; V245-H257 HydrophobicContact CB-CB 4.38Å; V245-H257 PolarHBondContact O-CD2 2.91Å; V245-H257 VanDerWaalsContact O-CD2 3.27Å; V245-H257 PolarHBondContact O-N 2.81Å; T247-H257 WeakPolarHBondContact CB-NE2 2.89Å; T247-H257 PolarHBondContact OG1-CD2 2.94Å; T247-H257 PolarHBondContact OG1-NE2 3.09Å; H257-P259 WeakPolarHBondContact O-CD 3.43Å; H257-L269 HydrophobicContact CB-CD1 4.31Å; H257-L269 HydrophobicContact CB-CD2 4.28Å; H257-N271 PolarHBondContact ND1-OD1 3.38Å
258E96.8Very high94.3Very high33 Ų3355.3 Ų55.315%0.15428%0.278CS..EExtended strand (participates in β ladder)trans-66.9115.7-177.1-174.8174.2177.700109.4V256 K260 E270 Q272 L541V256-E258 PolarHBondContact O-N 3.22Å; E258-K260 VanDerWaalsContact CD-CE 3.5Å; E258-K260 HydrophobicContact CG-CD 4.19Å; E258-K260 PolarHBondContact O-N 3.44Å; E258-K260 WeakPolarHBondContact OE1-CE 3.4Å; E258-K260 IonicContact OE1-NZ 2.61Å; E258-K260 PolarHBondContact OE1-NZ 2.59Å; E258-K260 IonicContact OE2-NZ 2.78Å; E258-E270 HydrophobicContact CB-CB 4.34Å; E258-E270 PolarHBondContact N-O 3.49Å; E258-E270 VanDerWaalsContact N-O 3.13Å; E258-E270 PolarHBondContact O-N 3.01Å; E258-Q272 PolarHBondContact OE2-NE2 2.79Å; E258-L541 HydrophobicContact CB-CD1 4.32Å; E258-L541 VanDerWaalsContact CD-CD1 3.45Å; E258-L541 HydrophobicContact CG-CD1 4.07Å; E258-L541 WeakPolarHBondContact OE2-CD1 3.45Å
259P93.3Very high94.1Very high35 Ų3556.1 Ų56.123%0.22728%0.283CS..EExtended strand (participates in β ladder)trans-76.3123.1-179.4-9.626.9000109.3I197 V245 H257 M534I197-P259 HydrophobicContact CD1-CB 3.9Å; I197-P259 HydrophobicContact CG1-CB 4.35Å; I197-P259 HydrophobicContact CG2-CB 4.07Å; I197-P259 HydrophobicContact CG2-CG 4.06Å; V245-P259 HydrophobicContact CG1-CG 4.38Å; H257-P259 WeakPolarHBondContact O-CD 3.43Å; P259-M534 HydrophobicContact CG-CG 3.8Å; P259-M534 HydrophobicContact CG-SD 3.79Å
260K93.4Very high94.1Very high63 Ų6359 Ų5927%0.27430%0.295SS..EExtended strand (participates in β ladder)trans-119.8163.1-179.8-64.4-61.7-155.9-173.70110.7E258 R267 Y268 E270E258-K260 VanDerWaalsContact CD-CE 3.5Å; E258-K260 HydrophobicContact CG-CD 4.19Å; E258-K260 PolarHBondContact O-N 3.44Å; E258-K260 WeakPolarHBondContact OE1-CE 3.4Å; E258-K260 IonicContact OE1-NZ 2.61Å; E258-K260 PolarHBondContact OE1-NZ 2.59Å; E258-K260 IonicContact OE2-NZ 2.78Å; K260-R267 WeakPolarHBondContact O-CA 3.37Å; K260-Y268 HydrophobicContact CB-CD1 3.82Å; K260-Y268 HydrophobicContact CB-CD2 4.16Å; K260-Y268 HydrophobicContact CB-CE1 3.34Å; K260-Y268 HydrophobicContact CB-CE2 3.71Å; K260-Y268 HydrophobicContact CB-CG 4.21Å; K260-Y268 HydrophobicContact CG-CE1 4.37Å; K260-Y268 HydrophobicContact CG-CE2 4.01Å; K260-Y268 PolarHBondContact N-O 3.07Å; K260-Y268 PolarHBondContact O-N 3.33Å; K260-E270 WeakPolarHBondContact CE-OE2 3.36Å; K260-E270 HydrophobicContact CG-CB 3.82Å; K260-E270 IonicContact NZ-OE2 3.99Å
261Q92.6Very high94.1Very high109 Ų10960.6 Ų60.651%0.50930%0.302SS..EExtended strand (participates in β ladder)trans-133.6132.5172.6-165.4169.814.600108.5L265 T266Q261-L265 WeakPolarHBondContact CG-O 3.27Å; Q261-L265 PolarHBondContact NE2-O 2.96Å; Q261-T266 WeakPolarHBondContact CA-O 3.32Å
262K90.7Very high94.2Very high117 Ų11759 Ų5951%0.50930%0.295SS..  trans-78.3168.9172.6-73.2-174.3-174-177.80110.9D264 L265 T266 Y268K262-D264 VanDerWaalsContact C-N 3.27Å; K262-D264 WeakPolarHBondContact CB-OD1 3.41Å; K262-D264 PolarHBondContact O-N 2.92Å; K262-L265 WeakPolarHBondContact O-CA 3.19Å; K262-L265 PolarHBondContact O-N 2.74Å; K262-T266 PolarHBondContact N-O 3.45Å; K262-Y268 HydrophobicContact CG-CD1 3.82Å; K262-Y268 HydrophobicContact CG-CE1 3.67Å
263V92.3Very high94.3Very high152 Ų15261.2 Ų61.292%0.92131%0.31SS*.THydrogen-bonded Turntrans-62.4-32.3177.9-173.60000112.4L265V263-L265 PolarHBondContact O-N 3.33Å; V263-L265 VanDerWaalsContact O-N 3.09Å
264D90.6Very high94.3Very high100 Ų10061.1 Ų61.154%0.53531%0.308SS..THydrogen-bonded Turntrans-73.111.3172.472.4-20.7000113.8K262 T266K262-D264 VanDerWaalsContact C-N 3.27Å; K262-D264 WeakPolarHBondContact CB-OD1 3.41Å; K262-D264 PolarHBondContact O-N 2.92Å; D264-T266 PolarHBondContact O-N 3.38Å; D264-T266 WeakPolarHBondContact OD1-CB 3.32Å; D264-T266 PolarHBondContact OD1-N 3.11Å; D264-T266 PolarHBondContact OD1-OG1 2.71Å; D264-T266 WeakPolarHBondContact OD2-CB 3.37Å; D264-T266 PolarHBondContact OD2-OG1 2.92Å
265L89.2Confident94.1Very high126 Ų12668.6 Ų68.666%0.6634%0.336SS*.  trans64.43.4-172.2-52.4179.1000115.5Q261 K262 V263 R267Q261-L265 WeakPolarHBondContact CG-O 3.27Å; Q261-L265 PolarHBondContact NE2-O 2.96Å; K262-L265 WeakPolarHBondContact O-CA 3.19Å; K262-L265 PolarHBondContact O-N 2.74Å; V263-L265 PolarHBondContact O-N 3.33Å; V263-L265 VanDerWaalsContact O-N 3.09Å; L265-R267 PolarHBondContact O-N 3.19Å
266T89.7Confident94.1Very high66 Ų6667.9 Ų67.941%0.40533%0.332SS..  trans-65.3120177.4-66.40000110.9Q261 K262 D264Q261-T266 WeakPolarHBondContact CA-O 3.32Å; K262-T266 PolarHBondContact N-O 3.45Å; D264-T266 PolarHBondContact O-N 3.38Å; D264-T266 WeakPolarHBondContact OD1-CB 3.32Å; D264-T266 PolarHBondContact OD1-N 3.11Å; D264-T266 PolarHBondContact OD1-OG1 2.71Å; D264-T266 WeakPolarHBondContact OD2-CB 3.37Å; D264-T266 PolarHBondContact OD2-OG1 2.92Å
267R89.6Confident93.9Very high90 Ų9068.8 Ų68.834%0.3434%0.337SS..EExtended strand (participates in β ladder)trans-74142.4172.6-60.7-176.7-169.4-109.51.8111E196 M200 K260 L265E196-R267 WeakPolarHBondContact OE2-CD 3.3Å; E196-R267 IonicContact OE2-NE 2.67Å; E196-R267 PolarHBondContact OE2-NE 2.7Å; M200-R267 HydrophobicContact CE-CB 4.3Å; K260-R267 WeakPolarHBondContact O-CA 3.37Å; L265-R267 PolarHBondContact O-N 3.19Å
268Y91.9Very high93.9Very high91 Ų9169 Ų6936%0.35734%0.338SS..EExtended strand (participates in β ladder)trans-149.7171.3171.871.1-80.4000111.5K260 K262 E270K260-Y268 HydrophobicContact CB-CD1 3.82Å; K260-Y268 HydrophobicContact CB-CD2 4.16Å; K260-Y268 HydrophobicContact CB-CE1 3.34Å; K260-Y268 HydrophobicContact CB-CE2 3.71Å; K260-Y268 HydrophobicContact CB-CG 4.21Å; K260-Y268 HydrophobicContact CG-CE1 4.37Å; K260-Y268 HydrophobicContact CG-CE2 4.01Å; K260-Y268 PolarHBondContact N-O 3.07Å; K260-Y268 PolarHBondContact O-N 3.33Å; K262-Y268 HydrophobicContact CG-CD1 3.82Å; K262-Y268 HydrophobicContact CG-CE1 3.67Å; Y268-E270 HydrophobicContact CE2-CB 4.29Å
269L93.9Very high93.9Very high28 Ų2867.4 Ų67.415%0.14733%0.331CS..EExtended strand (participates in β ladder)trans-106.7128.2172.7-62.7179.1000110.4I197 M200 I201 H257I197-L269 HydrophobicContact CG2-CD2 4.14Å; M200-L269 HydrophobicContact CB-CD1 3.58Å; M200-L269 HydrophobicContact CB-CG 3.9Å; M200-L269 HydrophobicContact SD-CG 4.41Å; I201-L269 HydrophobicContact CD1-CD2 4.48Å; I201-L269 HydrophobicContact CG1-CD1 3.69Å; I201-L269 HydrophobicContact CG1-CD2 4.05Å; H257-L269 HydrophobicContact CB-CD1 4.31Å; H257-L269 HydrophobicContact CB-CD2 4.28Å
270E96.3Very high94.2Very high72 Ų7265.8 Ų65.834%0.33632%0.32SS..EExtended strand (participates in β ladder)trans-94.495.6166.7-172.7-178.9151.400109E258 K260 Y268 Q272E258-E270 HydrophobicContact CB-CB 4.34Å; E258-E270 PolarHBondContact N-O 3.49Å; E258-E270 VanDerWaalsContact N-O 3.13Å; E258-E270 PolarHBondContact O-N 3.01Å; K260-E270 WeakPolarHBondContact CE-OE2 3.36Å; K260-E270 HydrophobicContact CG-CB 3.82Å; K260-E270 IonicContact NZ-OE2 3.99Å; Y268-E270 HydrophobicContact CE2-CB 4.29Å; E270-Q272 HydrophobicContact CG-CG 4.49Å; E270-Q272 PolarHBondContact O-N 3.29Å
271N95.5Very high94.4Very high56 Ų5664.5 Ų64.530%0.29932%0.316SS..EExtended strand (participates in β ladder)trans-79.879.1-173.7-70.5-38000112.2F204 V256 H257F204-N271 VanDerWaalsContact CE2-ND2 3.3Å; F204-N271 WeakPolarHBondContact CE2-ND2 3.41Å; F204-N271 HydrophobicContact CZ-CB 4.45Å; V256-N271 CarbonylContact O-C 3.6Å; V256-N271 WeakPolarHBondContact O-CA 3.48Å; H257-N271 PolarHBondContact ND1-OD1 3.38Å
272Q97.3Very high94.5Very high29 Ų2962.3 Ų62.314%0.13631%0.308CS..EExtended strand (participates in β ladder)trans-73.5132176.1-78.8160.583.700111.5M255 V256 E258 E270 F274M255-Q272 CarbonylContact C-O 3.59Å; M255-Q272 WeakPolarHBondContact CA-O 3.33Å; V256-Q272 PolarHBondContact N-O 2.85Å; V256-Q272 PolarHBondContact O-N 2.82Å; E258-Q272 PolarHBondContact OE2-NE2 2.79Å; E270-Q272 HydrophobicContact CG-CG 4.49Å; E270-Q272 PolarHBondContact O-N 3.29Å; Q272-F274 HydrophobicContact CB-CE2 3.9Å; Q272-F274 HydrophobicContact CB-CZ 4.29Å
273T96.6Very high94.8Very high78 Ų7861 Ų6148%0.47931%0.314SS..EExtended strand (participates in β ladder)trans-118.3132.1-177.4-57.70000110.3V253 M255V253-T273 HydrophobicContact CG1-CG2 3.69Å; M255-T273 HydrophobicContact CG-CG2 4.48Å
274F97.4Very high95Very high20 Ų2054 Ų549%0.08827%0.272CS..EExtended strand (participates in β ladder)trans-126.5144.9179.7-58.2-89.9000110V253 V254 V256 Q272 F276 L541 L544 R545V253-F274 WeakPolarHBondContact CA-O 3.34Å; V254-F274 PolarHBondContact N-O 3.07Å; V254-F274 PolarHBondContact O-N 2.85Å; V256-F274 HydrophobicContact CG2-CD2 4.3Å; V256-F274 HydrophobicContact CG2-CE2 3.92Å; Q272-F274 HydrophobicContact CB-CE2 3.9Å; Q272-F274 HydrophobicContact CB-CZ 4.29Å; F274-F276 HydrophobicContact CB-CD2 4.29Å; F274-F276 HydrophobicContact CB-CE2 3.43Å; F274-F276 VanDerWaalsContact CB-CE2 3.43Å; F274-F276 HydrophobicContact CB-CZ 3.97Å; F274-F276 HydrophobicContact CG-CE2 4.37Å; F274-L541 HydrophobicContact CE2-CD2 4.05Å; F274-L541 HydrophobicContact CZ-CD2 4.07Å; F274-L544 HydrophobicContact CD1-CB 4.3Å; F274-L544 HydrophobicContact CD2-CB 4.16Å; F274-L544 HydrophobicContact CD2-CD1 3.97Å; F274-L544 HydrophobicContact CE1-CB 4.25Å; F274-L544 HydrophobicContact CE2-CB 4.11Å; F274-L544 HydrophobicContact CE2-CD1 4Å; F274-L544 HydrophobicContact CG-CB 4.26Å; F274-L544 HydrophobicContact CZ-CB 4.16Å; F274-R545 HydrophobicContact CE1-CG 3.89Å; F274-R545 HydrophobicContact CZ-CG 4.02Å
275R95.9Very high95.3Very high157 Ų15752.3 Ų52.359%0.59227%0.266SS*.EExtended strand (participates in β ladder)trans-118.7127.9177.2-66.2-174.377.4177.94.1111.7D252 V253D252-R275 WeakPolarHBondContact O-CA 3.49Å; D252-R275 IonicContact OD2-CZ 2.63Å; D252-R275 IonicContact OD2-NE 2.74Å; D252-R275 PolarHBondContact OD2-NE 2.83Å; D252-R275 IonicContact OD2-NH2 2.71Å; D252-R275 PolarHBondContact OD2-NH2 2.74Å; V253-R275 HydrophobicContact CG2-CG 4.09Å
276F96Very high95.6Very high3 Ų346.5 Ų46.51%0.01324%0.236CC..  trans-117.9-172.3-177.7-68.2-72.6000110.5V226 V228 D252 V254 F274 L544 A547 K551V226-F276 HydrophobicContact CG1-CD1 3.87Å; V226-F276 HydrophobicContact CG1-CE1 4.17Å; V228-F276 HydrophobicContact CB-CD2 4.2Å; V228-F276 HydrophobicContact CG2-CD1 3.96Å; V228-F276 HydrophobicContact CG2-CD2 3.39Å; V228-F276 HydrophobicContact CG2-CE1 4.01Å; V228-F276 HydrophobicContact CG2-CE2 3.42Å; V228-F276 VanDerWaalsContact CG2-CE2 3.42Å; V228-F276 HydrophobicContact CG2-CG 3.66Å; V228-F276 HydrophobicContact CG2-CZ 3.75Å; D252-F276 PolarHBondContact O-N 3.07Å; V254-F276 HydrophobicContact CB-CD2 4.41Å; V254-F276 HydrophobicContact CB-CE2 4.35Å; V254-F276 HydrophobicContact CG2-CD2 3.81Å; V254-F276 HydrophobicContact CG2-CE2 4.15Å; F274-F276 HydrophobicContact CB-CD2 4.29Å; F274-F276 HydrophobicContact CB-CE2 3.43Å; F274-F276 VanDerWaalsContact CB-CE2 3.43Å; F274-F276 HydrophobicContact CB-CZ 3.97Å; F274-F276 HydrophobicContact CG-CE2 4.37Å; F276-L544 HydrophobicContact CE2-CD2 3.8Å; F276-L544 HydrophobicContact CZ-CD2 4.01Å; F276-A547 HydrophobicContact CD1-CB 4.45Å; F276-A547 HydrophobicContact CE1-CB 3.52Å; F276-A547 HydrophobicContact CZ-CB 4Å; F276-K551 PolarHBondContact O-NZ 2.87Å
277D95.4Very high96Very high19 Ų1947.4 Ų47.410%0.10224%0.235CC..SBendtrans-84.1-41173.3-53.2-23.7000109.8C225 V226 K551C225-D277 WeakPolarHBondContact CA-OD2 3.49Å; C225-D277 PolarHBondContact SG-OD2 3.47Å; C225-D277 VanDerWaalsContact SG-OD2 3.4Å; V226-D277 PolarHBondContact N-OD2 3.08Å; V226-D277 PolarHBondContact O-N 3.12Å; D277-K551 WeakPolarHBondContact OD1-CD 3.02Å; D277-K551 VanDerWaalsContact OD1-CE 3.23Å; D277-K551 WeakPolarHBondContact OD1-CE 3.35Å; D277-K551 IonicContact OD1-NZ 2.69Å; D277-K551 PolarHBondContact OD1-NZ 2.89Å
278Y97.3Very high96.3Very high4 Ų444.6 Ų44.62%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-139134.2170.2-55.7-82.1000110.8L213 I219 D220 C227 V228 K251 F292L213-Y278 HydrophobicContact CD1-CD1 4.01Å; L213-Y278 HydrophobicContact CD1-CE1 4.44Å; L213-Y278 HydrophobicContact CD2-CD1 3.78Å; L213-Y278 HydrophobicContact CD2-CG 4.3Å; I219-Y278 WeakPolarHBondContact CA-OH 3.44Å; D220-Y278 PolarHBondContact N-OH 3.33Å; C227-Y278 CarbonylContact C-O 3.36Å; C227-Y278 WeakPolarHBondContact CA-O 3.22Å; C227-Y278 WeakPolarHBondContact CB-O 3.47Å; V228-Y278 PolarHBondContact N-O 2.71Å; K251-Y278 CarbonylContact O-C 3.58Å; K251-Y278 WeakPolarHBondContact O-CA 3.43Å; Y278-F292 HydrophobicContact CD1-CB 4.1Å; Y278-F292 AromaticContact CD1-CD1 3.84Å; Y278-F292 HydrophobicContact CD1-CD1 3.84Å; Y278-F292 HydrophobicContact CD1-CG 4.05Å; Y278-F292 HydrophobicContact CD2-CB 4.06Å; Y278-F292 HydrophobicContact CE1-CB 4.22Å; Y278-F292 AromaticContact CE1-CD1 3.35Å; Y278-F292 HydrophobicContact CE1-CD1 3.35Å; Y278-F292 AromaticContact CE1-CE1 3.96Å; Y278-F292 HydrophobicContact CE1-CE1 3.96Å; Y278-F292 HydrophobicContact CE1-CG 4.01Å; Y278-F292 HydrophobicContact CE2-CB 4.19Å; Y278-F292 HydrophobicContact CE2-CD1 4.48Å; Y278-F292 HydrophobicContact CG-CB 4.03Å; Y278-F292 HydrophobicContact CG-CG 4.47Å; Y278-F292 AromaticContact CZ-CD1 3.74Å
279A98Very high96.6Very high1 Ų140.3 Ų40.31%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-113.8114.6171.800000108.6I248 K251 V254I248-A279 HydrophobicContact CD1-CB 4.38Å; I248-A279 HydrophobicContact CG2-CB 3.73Å; K251-A279 PolarHBondContact O-N 2.69Å; V254-A279 HydrophobicContact CG2-CB 3.77Å
280F98.4Very high96.8Very high1 Ų139.1 Ų39.10%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-98.7125.3177.6-52.8-76.5000109.5L213 C227 V228 R229 K230 I248 A284 M288 V289 F292 T293L213-F280 HydrophobicContact CD2-CD1 3.7Å; L213-F280 HydrophobicContact CD2-CE1 3.4Å; L213-F280 HydrophobicContact CD2-CZ 4.27Å; C227-F280 HydrophobicContact CB-CD2 4.48Å; C227-F280 HydrophobicContact CB-CE2 3.79Å; V228-F280 VanDerWaalsContact O-CD2 3.32Å; V228-F280 WeakPolarHBondContact O-CD2 3.07Å; V228-F280 PolarHBondContact O-N 2.71Å; R229-F280 HydrophobicContact CB-CB 4.21Å; R229-F280 HydrophobicContact CB-CD2 4.23Å; R229-F280 HydrophobicContact CG-CB 4.1Å; K230-F280 PolarHBondContact N-O 2.91Å; I248-F280 WeakPolarHBondContact CD1-O 3.42Å; F280-A284 HydrophobicContact CB-CB 3.77Å; F280-A284 HydrophobicContact CD1-CB 4.34Å; F280-A284 HydrophobicContact CG-CB 4.48Å; F280-M288 HydrophobicContact CD1-CG 4.42Å; F280-M288 HydrophobicContact CE1-CG 4.43Å; F280-V289 HydrophobicContact CB-CG2 4.32Å; F280-V289 HydrophobicContact CD1-CG2 4.03Å; F280-V289 HydrophobicContact CD2-CG1 4.24Å; F280-V289 HydrophobicContact CD2-CG2 4.03Å; F280-V289 HydrophobicContact CE1-CG2 4.36Å; F280-V289 HydrophobicContact CE2-CB 4.39Å; F280-V289 HydrophobicContact CE2-CG1 3.94Å; F280-V289 HydrophobicContact CE2-CG2 4.35Å; F280-V289 HydrophobicContact CG-CG2 3.88Å; F280-V289 HydrophobicContact CZ-CB 4.4Å; F280-V289 HydrophobicContact CZ-CG1 4.3Å; F280-F292 HydrophobicContact CE1-CB 4.29Å; F280-F292 HydrophobicContact CE1-CD2 4.18Å; F280-F292 HydrophobicContact CZ-CB 4Å; F280-T293 HydrophobicContact CE2-CG2 3.82Å; F280-T293 HydrophobicContact CZ-CG2 3.93Å
281D96.9Very high96.8Very high35 Ų3539.6 Ų39.619%0.18720%0.202CC..  trans-72.3-175175.373.44.4000112.6I248 S283 A284I248-D281 HydrophobicContact CB-CB 4.49Å; D281-S283 VanDerWaalsContact C-N 3.27Å; D281-S283 VanDerWaalsContact CG-OG 3.28Å; D281-S283 PolarHBondContact O-N 2.65Å; D281-S283 WeakPolarHBondContact OD1-CA 3.32Å; D281-S283 WeakPolarHBondContact OD1-CB 3.39Å; D281-S283 PolarHBondContact OD1-N 2.77Å; D281-S283 PolarHBondContact OD1-OG 3.19Å; D281-S283 PolarHBondContact OD2-OG 3.47Å; D281-S283 VanDerWaalsContact OD2-OG 3.07Å; D281-A284 PolarHBondContact OD1-N 3.4Å
282D95.9Very high96.9Very high64 Ų6437.1 Ų37.134%0.34219%0.189SC..SBendtrans-78.8-2.8176.843.711.5000114.5K230 P232K230-D282 HydrophobicContact CD-CB 3.99Å; K230-D282 WeakPolarHBondContact CE-OD2 3.18Å; K230-D282 HydrophobicContact CG-CB 4.18Å; K230-D282 IonicContact NZ-OD2 3.18Å; K230-D282 PolarHBondContact NZ-OD2 2.79Å; P232-D282 HydrophobicContact CB-CB 4.04Å
283S96.1Very high96.9Very high89 Ų8935.9 Ų35.962%0.62218%0.183SC*.SBendtrans-90.1-26.1170.486.40000112.8D281 P285D281-S283 VanDerWaalsContact C-N 3.27Å; D281-S283 VanDerWaalsContact CG-OG 3.28Å; D281-S283 PolarHBondContact O-N 2.65Å; D281-S283 WeakPolarHBondContact OD1-CA 3.32Å; D281-S283 WeakPolarHBondContact OD1-CB 3.39Å; D281-S283 PolarHBondContact OD1-N 2.77Å; D281-S283 PolarHBondContact OD1-OG 3.19Å; D281-S283 PolarHBondContact OD2-OG 3.47Å; D281-S283 VanDerWaalsContact OD2-OG 3.07Å; S283-P285 WeakPolarHBondContact O-CD 3.43Å
284A96.6Very high96.9Very high6 Ų632.2 Ų32.25%0.0516%0.161CC..  trans-61.4115.8-170.100000114R229 F280 D281 M288R229-A284 PolarHBondContact NH2-O 2.72Å; F280-A284 HydrophobicContact CB-CB 3.77Å; F280-A284 HydrophobicContact CD1-CB 4.34Å; F280-A284 HydrophobicContact CG-CB 4.48Å; D281-A284 PolarHBondContact OD1-N 3.4Å; A284-M288 HydrophobicContact CB-SD 3.82Å
285P96.4Very high96.9Very high63 Ų6336.3 Ų36.341%0.40918%0.176SC..  trans-75.8165.5178.832.1-36.5000112.5S283 E287 M288 V289S283-P285 WeakPolarHBondContact O-CD 3.43Å; P285-E287 PolarHBondContact O-N 3.16Å; P285-M288 HydrophobicContact CG-CB 4.01Å; P285-M288 PolarHBondContact O-N 3.07Å; P285-V289 PolarHBondContact O-N 3.4Å; P285-V289 VanDerWaalsContact O-N 3.14Å
286N96.8Very high96.9Very high4 Ų430.7 Ų30.72%0.02116%0.159CC..Hα-helixtrans-56.5-34.4-179.9-80.67.9000112.7R229 V289 Y290 H321 K336 L341R229-N286 PolarHBondContact NH1-OD1 2.86Å; R229-N286 PolarHBondContact NH2-OD1 2.98Å; R229-N286 VanDerWaalsContact NH2-OD1 3.11Å; N286-V289 PolarHBondContact O-N 2.81Å; N286-Y290 WeakPolarHBondContact O-CB 3.27Å; N286-Y290 PolarHBondContact O-N 3.01Å; N286-H321 PolarHBondContact ND2-O 2.77Å; N286-H321 PolarHBondContact OD1-ND1 2.81Å; N286-K336 VanDerWaalsContact CB-O 3.28Å; N286-K336 WeakPolarHBondContact CB-O 3.26Å; N286-K336 PolarHBondContact ND2-O 2.89Å; N286-L341 HydrophobicContact CB-CD1 4.48Å
287E96.8Very high96.9Very high85 Ų8531 Ų3140%0.39716%0.161SC..Hα-helixtrans-66.7-36178-68.372.8-165.100112.8P285 R291 L341P285-E287 PolarHBondContact O-N 3.16Å; E287-R291 WeakPolarHBondContact O-CB 3.18Å; E287-R291 PolarHBondContact O-N 3.42Å; E287-L341 HydrophobicContact CG-CD1 4.44Å; E287-L341 HydrophobicContact CG-CD2 4.31Å
288M97.1Very high97Very high32 Ų3230.1 Ų30.116%0.15816%0.157CC..Hα-helixtrans-70.4-47175.2-179.3-174.8-83.200110T215 F280 A284 P285 Y290 R291 F292T215-M288 HydrophobicContact CG2-CE 4.19Å; F280-M288 HydrophobicContact CD1-CG 4.42Å; F280-M288 HydrophobicContact CE1-CG 4.43Å; A284-M288 HydrophobicContact CB-SD 3.82Å; P285-M288 HydrophobicContact CG-CB 4.01Å; P285-M288 PolarHBondContact O-N 3.07Å; M288-Y290 VanDerWaalsContact C-N 3.33Å; M288-Y290 PolarHBondContact O-N 2.97Å; M288-R291 WeakPolarHBondContact O-CB 3.27Å; M288-R291 PolarHBondContact O-N 3.29Å; M288-F292 HydrophobicContact CG-CE2 4.45Å; M288-F292 WeakPolarHBondContact O-CD2 3.22Å
289V97.9Very high96.9Very high0 Ų033.5 Ų33.50%017%0.172CC..Hα-helixtrans-57.6-49175.3-1800000110.2R229 F280 P285 N286 R291 F292 T293 T322 I338 I527R229-V289 HydrophobicContact CG-CG2 4.4Å; F280-V289 HydrophobicContact CB-CG2 4.32Å; F280-V289 HydrophobicContact CD1-CG2 4.03Å; F280-V289 HydrophobicContact CD2-CG1 4.24Å; F280-V289 HydrophobicContact CD2-CG2 4.03Å; F280-V289 HydrophobicContact CE1-CG2 4.36Å; F280-V289 HydrophobicContact CE2-CB 4.39Å; F280-V289 HydrophobicContact CE2-CG1 3.94Å; F280-V289 HydrophobicContact CE2-CG2 4.35Å; F280-V289 HydrophobicContact CG-CG2 3.88Å; F280-V289 HydrophobicContact CZ-CB 4.4Å; F280-V289 HydrophobicContact CZ-CG1 4.3Å; P285-V289 PolarHBondContact O-N 3.4Å; P285-V289 VanDerWaalsContact O-N 3.14Å; N286-V289 PolarHBondContact O-N 2.81Å; V289-R291 VanDerWaalsContact C-N 3.34Å; V289-R291 PolarHBondContact O-N 2.96Å; V289-F292 PolarHBondContact O-N 3.21Å; V289-T293 HydrophobicContact CG1-CG2 4.16Å; V289-T293 WeakPolarHBondContact O-CB 3.45Å; V289-T293 WeakPolarHBondContact O-CG2 3.33Å; V289-T293 PolarHBondContact O-N 2.94Å; V289-T293 VanDerWaalsContact O-N 3.08Å; V289-T293 PolarHBondContact O-OG1 3.43Å; V289-T322 HydrophobicContact CG1-CG2 4.03Å; V289-I338 HydrophobicContact CG1-CD1 4.24Å; V289-I527 HydrophobicContact CG1-CD1 4.1Å; V289-I527 HydrophobicContact CG1-CG2 4.4Å
290Y98.1Very high96.8Very high4 Ų433.8 Ų33.82%0.01617%0.174CC..Hα-helixtrans-54.6-45.7176.8174.9-108.2000112.8N286 M288 F292 T293 A294 R295 I338 L341 A342 D345N286-Y290 WeakPolarHBondContact O-CB 3.27Å; N286-Y290 PolarHBondContact O-N 3.01Å; M288-Y290 VanDerWaalsContact C-N 3.33Å; M288-Y290 PolarHBondContact O-N 2.97Å; Y290-F292 VanDerWaalsContact C-N 3.29Å; Y290-F292 PolarHBondContact O-N 3.22Å; Y290-T293 PolarHBondContact O-N 3.48Å; Y290-A294 HydrophobicContact CD2-CB 3.85Å; Y290-A294 HydrophobicContact CE2-CB 3.93Å; Y290-A294 PolarHBondContact O-N 3.12Å; Y290-R295 HydrophobicContact CD1-CB 4.04Å; Y290-R295 HydrophobicContact CD1-CG 4.46Å; Y290-R295 HydrophobicContact CE1-CB 3.6Å; Y290-R295 HydrophobicContact CE1-CG 3.69Å; Y290-R295 HydrophobicContact CE2-CB 4.09Å; Y290-R295 HydrophobicContact CG-CB 4.47Å; Y290-R295 WeakPolarHBondContact O-CB 3.31Å; Y290-R295 PolarHBondContact O-N 3.2Å; Y290-I338 HydrophobicContact CD2-CG1 4.21Å; Y290-I338 HydrophobicContact CD2-CG2 4.28Å; Y290-L341 HydrophobicContact CD1-CB 3.82Å; Y290-L341 HydrophobicContact CD1-CD1 4.27Å; Y290-L341 HydrophobicContact CD2-CB 3.75Å; Y290-L341 HydrophobicContact CD2-CD1 4.45Å; Y290-L341 HydrophobicContact CE1-CB 3.99Å; Y290-L341 HydrophobicContact CE2-CB 3.98Å; Y290-L341 HydrophobicContact CG-CB 3.71Å; Y290-L341 HydrophobicContact CG-CD1 3.87Å; Y290-L341 HydrophobicContact CG-CG 4.42Å; Y290-L341 PolarHBondContact OH-O 3.07Å; Y290-A342 HydrophobicContact CE2-CB 4.05Å; Y290-D345 WeakPolarHBondContact OH-CB 3.21Å
291R97.1Very high96.7Very high82 Ų8233.8 Ų33.831%0.30917%0.174SC..Hα-helixtrans-53.2-43.2-177.3175.4-175.217299.43.5112.9T215 I219 E287 M288 V289T215-R291 PolarHBondContact O-NE 3.38Å; T215-R291 PolarHBondContact O-NH2 3.27Å; I219-R291 HydrophobicContact CD1-CG 4.3Å; E287-R291 WeakPolarHBondContact O-CB 3.18Å; E287-R291 PolarHBondContact O-N 3.42Å; M288-R291 WeakPolarHBondContact O-CB 3.27Å; M288-R291 PolarHBondContact O-N 3.29Å; V289-R291 VanDerWaalsContact C-N 3.34Å; V289-R291 PolarHBondContact O-N 2.96Å
292F96.9Very high96.7Very high3 Ų332.3 Ų32.31%0.01317%0.166CC..Hα-helixtrans-95.7-18.5-175.3-67.7-79.4000113.6L213 T214 D217 I219 Y278 F280 M288 V289 Y290L213-F292 HydrophobicContact CD1-CE1 4.18Å; L213-F292 HydrophobicContact CD1-CE2 4.05Å; L213-F292 HydrophobicContact CD1-CZ 3.87Å; L213-F292 HydrophobicContact CD2-CD2 3.88Å; L213-F292 HydrophobicContact CD2-CE2 4.06Å; L213-F292 HydrophobicContact CD2-CG 4.3Å; L213-F292 HydrophobicContact CG-CD2 4.38Å; L213-F292 HydrophobicContact CG-CE2 4.05Å; L213-F292 HydrophobicContact CG-CZ 4.38Å; T214-F292 WeakPolarHBondContact O-CE2 3.19Å; T214-F292 WeakPolarHBondContact O-CZ 3.46Å; D217-F292 HydrophobicContact CB-CE1 4.16Å; D217-F292 HydrophobicContact CB-CZ 4.04Å; I219-F292 HydrophobicContact CG1-CD1 3.73Å; I219-F292 HydrophobicContact CG1-CE1 3.75Å; Y278-F292 HydrophobicContact CD1-CB 4.1Å; Y278-F292 AromaticContact CD1-CD1 3.84Å; Y278-F292 HydrophobicContact CD1-CD1 3.84Å; Y278-F292 HydrophobicContact CD1-CG 4.05Å; Y278-F292 HydrophobicContact CD2-CB 4.06Å; Y278-F292 HydrophobicContact CE1-CB 4.22Å; Y278-F292 AromaticContact CE1-CD1 3.35Å; Y278-F292 HydrophobicContact CE1-CD1 3.35Å; Y278-F292 AromaticContact CE1-CE1 3.96Å; Y278-F292 HydrophobicContact CE1-CE1 3.96Å; Y278-F292 HydrophobicContact CE1-CG 4.01Å; Y278-F292 HydrophobicContact CE2-CB 4.19Å; Y278-F292 HydrophobicContact CE2-CD1 4.48Å; Y278-F292 HydrophobicContact CG-CB 4.03Å; Y278-F292 HydrophobicContact CG-CG 4.47Å; Y278-F292 AromaticContact CZ-CD1 3.74Å; F280-F292 HydrophobicContact CE1-CB 4.29Å; F280-F292 HydrophobicContact CE1-CD2 4.18Å; F280-F292 HydrophobicContact CZ-CB 4Å; M288-F292 HydrophobicContact CG-CE2 4.45Å; M288-F292 WeakPolarHBondContact O-CD2 3.22Å; V289-F292 PolarHBondContact O-N 3.21Å; Y290-F292 VanDerWaalsContact C-N 3.29Å; Y290-F292 PolarHBondContact O-N 3.22Å
293T96.9Very high96.6Very high4 Ų434.9 Ų34.93%0.02518%0.176CC..THydrogen-bonded Turntrans-102.9-75.3-174.958.10000113.6C227 F280 V289 Y290 C525 I527C227-T293 HydrophobicContact CB-CG2 4.04Å; F280-T293 HydrophobicContact CE2-CG2 3.82Å; F280-T293 HydrophobicContact CZ-CG2 3.93Å; V289-T293 HydrophobicContact CG1-CG2 4.16Å; V289-T293 WeakPolarHBondContact O-CB 3.45Å; V289-T293 WeakPolarHBondContact O-CG2 3.33Å; V289-T293 PolarHBondContact O-N 2.94Å; V289-T293 VanDerWaalsContact O-N 3.08Å; V289-T293 PolarHBondContact O-OG1 3.43Å; Y290-T293 PolarHBondContact O-N 3.48Å; T293-C525 VanDerWaalsContact CB-SG 3.56Å; T293-I527 HydrophobicContact CG2-CD1 3.97Å; T293-I527 HydrophobicContact CG2-CG1 3.93Å
294A97.1Very high96.5Very high0 Ų038.7 Ų38.70%018%0.177CC..THydrogen-bonded Turntrans-89.9-18.6-170.800000113.3Y290 C309 I338 F453Y290-A294 HydrophobicContact CD2-CB 3.85Å; Y290-A294 HydrophobicContact CE2-CB 3.93Å; Y290-A294 PolarHBondContact O-N 3.12Å; A294-C309 HydrophobicContact CB-CB 4.24Å; A294-I338 HydrophobicContact CB-CG2 3.66Å; A294-F453 HydrophobicContact CB-CZ 3.94Å; A294-F453 WeakPolarHBondContact O-CE1 3.46Å; A294-F453 WeakPolarHBondContact O-CZ 3.39Å
295R97.4Very high96.2Very high107 Ų10738.5 Ų38.540%0.40418%0.176SC..THydrogen-bonded Turntrans-67.4-44.8-178.8-171.1173.2178-98-1.8114.3Y290 L297 V298 D345Y290-R295 HydrophobicContact CD1-CB 4.04Å; Y290-R295 HydrophobicContact CD1-CG 4.46Å; Y290-R295 HydrophobicContact CE1-CB 3.6Å; Y290-R295 HydrophobicContact CE1-CG 3.69Å; Y290-R295 HydrophobicContact CE2-CB 4.09Å; Y290-R295 HydrophobicContact CG-CB 4.47Å; Y290-R295 WeakPolarHBondContact O-CB 3.31Å; Y290-R295 PolarHBondContact O-N 3.2Å; R295-L297 PolarHBondContact O-N 3.08Å; R295-V298 WeakPolarHBondContact O-CB 3.19Å; R295-V298 WeakPolarHBondContact O-CG2 3.49Å; R295-V298 PolarHBondContact O-N 2.69Å; R295-V298 VanDerWaalsContact O-N 3.14Å; R295-D345 IonicContact CZ-OD2 3.99Å; R295-D345 IonicContact NE-OD2 3.98Å; R295-D345 PolarHBondContact NE-OD2 3.24Å; R295-D345 IonicContact NH2-OD2 3.91Å
296P95.9Very high96Very high38 Ų3837.2 Ų37.225%0.24717%0.165CC..THydrogen-bonded Turntrans-62.9-34.5178.4-22.736.1000112.2I219 V298 E299I219-P296 HydrophobicContact CG2-CG 3.69Å; P296-V298 PolarHBondContact O-N 3Å; P296-V298 VanDerWaalsContact O-N 3.14Å; P296-E299 PolarHBondContact O-N 2.79Å; P296-E299 VanDerWaalsContact O-N 3.14Å
297L96.4Very high95.9Very high10 Ų1037 Ų375%0.05216%0.164CC..Hα-helixtrans-64.5-14177.4-60-177.6000114.1R295 E299 A307 C309 F453 R523 C525R295-L297 PolarHBondContact O-N 3.08Å; L297-E299 VanDerWaalsContact C-N 3.34Å; L297-A307 HydrophobicContact CB-CB 3.91Å; L297-A307 WeakPolarHBondContact O-CB 3.27Å; L297-C309 HydrophobicContact CD1-CB 4.24Å; L297-F453 HydrophobicContact CB-CE1 3.98Å; L297-F453 HydrophobicContact CB-CE2 4.11Å; L297-F453 HydrophobicContact CB-CZ 3.58Å; L297-F453 HydrophobicContact CD1-CE2 4.02Å; L297-F453 HydrophobicContact CD1-CZ 4.01Å; L297-F453 HydrophobicContact CG-CZ 4.43Å; L297-R523 HydrophobicContact CD2-CB 3.46Å; L297-R523 VanDerWaalsContact CD2-CB 3.46Å; L297-C525 HydrophobicContact CD1-CB 3.71Å
298V97.4Very high95.8Very high1 Ų133 Ų331%0.00615%0.145CC..Hα-helixtrans-66.5-37.3172.9-176.10000110.8R295 P296 T300 I301 F302 V346 M349 F453R295-V298 WeakPolarHBondContact O-CB 3.19Å; R295-V298 WeakPolarHBondContact O-CG2 3.49Å; R295-V298 PolarHBondContact O-N 2.69Å; R295-V298 VanDerWaalsContact O-N 3.14Å; P296-V298 PolarHBondContact O-N 3Å; P296-V298 VanDerWaalsContact O-N 3.14Å; V298-T300 PolarHBondContact O-N 2.58Å; V298-I301 WeakPolarHBondContact O-CG1 3.29Å; V298-I301 PolarHBondContact O-N 3.36Å; V298-F302 HydrophobicContact CG1-CD2 4.45Å; V298-F302 HydrophobicContact CG1-CE2 4.17Å; V298-F302 WeakPolarHBondContact O-CD2 3.27Å; V298-V346 HydrophobicContact CG1-CB 4.49Å; V298-V346 HydrophobicContact CG1-CG2 3.63Å; V298-M349 HydrophobicContact CB-SD 4.18Å; V298-M349 HydrophobicContact CG1-SD 3.59Å; V298-M349 VanDerWaalsContact CG1-SD 3.59Å; V298-F453 HydrophobicContact CG2-CD1 4.43Å; V298-F453 HydrophobicContact CG2-CE1 3.94Å
299E95.3Very high95.7Very high75 Ų7531.5 Ų31.535%0.3514%0.137SC..Hα-helixtrans-65.7-41.9-179.5-151.6112.8-122.900110.8P296 L297 I301 F302 E303 M349 K352 Y355P296-E299 PolarHBondContact O-N 2.79Å; P296-E299 VanDerWaalsContact O-N 3.14Å; L297-E299 VanDerWaalsContact C-N 3.34Å; E299-I301 VanDerWaalsContact C-N 3.27Å; E299-I301 PolarHBondContact O-N 2.85Å; E299-I301 VanDerWaalsContact O-N 3.12Å; E299-F302 PolarHBondContact O-N 3.18Å; E299-E303 PolarHBondContact O-N 3.16Å; E299-E303 VanDerWaalsContact O-N 3.15Å; E299-M349 HydrophobicContact CB-CE 4.13Å; E299-M349 HydrophobicContact CG-CE 3.9Å; E299-M349 WeakPolarHBondContact OE1-CE 3.34Å; E299-K352 IonicContact OE1-NZ 2.96Å; E299-K352 PolarHBondContact OE1-NZ 2.73Å; E299-Y355 PolarHBondContact OE1-OH 2.9Å
300T95Very high95.6Very high7 Ų731.5 Ų31.54%0.04314%0.137CC..Hα-helixtrans-50-40.7177.6-52.40000113.4V298 E303 G305 R523V298-T300 PolarHBondContact O-N 2.58Å; T300-E303 PolarHBondContact O-N 2.82Å; T300-G305 VanDerWaalsContact O-CA 3.26Å; T300-G305 WeakPolarHBondContact O-CA 3.13Å; T300-G305 PolarHBondContact O-N 2.54Å; T300-R523 HydrophobicContact CG2-CB 4.33Å; T300-R523 HydrophobicContact CG2-CG 4.23Å
301I96.2Very high95.5Very high0 Ų031.3 Ų31.30%014%0.137CC..Hα-helixtrans-76.8-23.2-179.160.6157.2000113.7V298 E299 E303 A307 V346 L443 H450 K452 F453V298-I301 WeakPolarHBondContact O-CG1 3.29Å; V298-I301 PolarHBondContact O-N 3.36Å; E299-I301 VanDerWaalsContact C-N 3.27Å; E299-I301 PolarHBondContact O-N 2.85Å; E299-I301 VanDerWaalsContact O-N 3.12Å; I301-E303 VanDerWaalsContact C-N 3.32Å; I301-A307 HydrophobicContact CG2-CB 3.6Å; I301-V346 HydrophobicContact CD1-CG2 4.05Å; I301-L443 HydrophobicContact CB-CD1 4.4Å; I301-L443 HydrophobicContact CD1-CD1 3.84Å; I301-L443 HydrophobicContact CD1-CG 4.07Å; I301-L443 HydrophobicContact CG1-CD1 4.07Å; I301-H450 PolarHBondContact O-CD2 3.43Å; I301-K452 VanDerWaalsContact CG2-C 3.4Å; I301-K452 VanDerWaalsContact CG2-O 3.32Å; I301-K452 WeakPolarHBondContact CG2-O 3.23Å; I301-F453 HydrophobicContact CD1-CB 4.12Å; I301-F453 HydrophobicContact CG2-CB 4.06Å
302F96.8Very high95.4Very high4 Ų427.5 Ų27.52%0.01812%0.122CC..Hα-helixtrans-76.7-22.7169.6-77.9-87.9000112V298 E299 R304 V346 M349 L350 Y355 L360 L443 H450V298-F302 HydrophobicContact CG1-CD2 4.45Å; V298-F302 HydrophobicContact CG1-CE2 4.17Å; V298-F302 WeakPolarHBondContact O-CD2 3.27Å; E299-F302 PolarHBondContact O-N 3.18Å; F302-R304 VanDerWaalsContact C-N 3.27Å; F302-R304 PolarHBondContact O-N 3.14Å; F302-V346 HydrophobicContact CE2-CG1 4.35Å; F302-V346 HydrophobicContact CE2-CG2 4.5Å; F302-V346 HydrophobicContact CZ-CG1 4.22Å; F302-V346 WeakPolarHBondContact CZ-O 3.48Å; F302-M349 HydrophobicContact CB-CE 4.43Å; F302-M349 HydrophobicContact CD2-CB 4.09Å; F302-M349 HydrophobicContact CD2-CE 3.72Å; F302-M349 HydrophobicContact CD2-SD 4.41Å; F302-M349 HydrophobicContact CE1-CB 4.42Å; F302-M349 HydrophobicContact CE2-CB 3.54Å; F302-M349 HydrophobicContact CE2-CE 4.26Å; F302-M349 HydrophobicContact CE2-SD 4.49Å; F302-M349 HydrophobicContact CG-CE 4.2Å; F302-M349 HydrophobicContact CZ-CB 3.73Å; F302-L350 HydrophobicContact CE1-CB 4.36Å; F302-L350 HydrophobicContact CE1-CD1 4.27Å; F302-L350 HydrophobicContact CZ-CB 4.29Å; F302-Y355 HydrophobicContact CB-CD1 3.81Å; F302-Y355 HydrophobicContact CB-CE1 3.59Å; F302-Y355 HydrophobicContact CB-CE2 4.35Å; F302-Y355 HydrophobicContact CB-CG 4.27Å; F302-Y355 AromaticContact CD1-CD1 3.82Å; F302-Y355 HydrophobicContact CD1-CD1 3.82Å; F302-Y355 HydrophobicContact CD1-CD2 4.07Å; F302-Y355 HydrophobicContact CD1-CE1 4.44Å; F302-Y355 AromaticContact CD1-CG 3.6Å; F302-Y355 HydrophobicContact CD1-CG 3.6Å; F302-Y355 HydrophobicContact CE1-CG 4.25Å; F302-Y355 HydrophobicContact CG-CD1 4.16Å; F302-Y355 HydrophobicContact CG-CD2 4.3Å; F302-Y355 HydrophobicContact CG-CE1 4.33Å; F302-Y355 HydrophobicContact CG-CE2 4.49Å; F302-Y355 HydrophobicContact CG-CG 4.14Å; F302-L360 HydrophobicContact CD1-CD1 3.8Å; F302-L360 HydrophobicContact CE1-CD1 4.01Å; F302-L443 HydrophobicContact CD1-CD1 3.95Å; F302-L443 HydrophobicContact CD2-CD1 4.03Å; F302-L443 HydrophobicContact CE1-CD1 3.92Å; F302-L443 HydrophobicContact CE2-CD1 3.99Å; F302-L443 HydrophobicContact CG-CD1 4.01Å; F302-L443 HydrophobicContact CZ-CD1 3.93Å; F302-H450 PolarHBondContact O-NE2 3.4Å
303E94.3Very high95.3Very high118 Ų11827.4 Ų27.455%0.55112%0.122SC*.THydrogen-bonded Turntrans-87.911.2177.7-63.9-177.9145.300114E299 T300 I301 G305E299-E303 PolarHBondContact O-N 3.16Å; E299-E303 VanDerWaalsContact O-N 3.15Å; T300-E303 PolarHBondContact O-N 2.82Å; I301-E303 VanDerWaalsContact C-N 3.32Å; E303-G305 VanDerWaalsContact C-N 3.35Å
304R93.9Very high95Very high169 Ų16927.9 Ų27.964%0.63812%0.124SC*.THydrogen-bonded Turntrans7121.1-174.3-49.3178.7-173.7166.58.2115.6F302 H450F302-R304 VanDerWaalsContact C-N 3.27Å; F302-R304 PolarHBondContact O-N 3.14Å; R304-H450 WeakPolarHBondContact CA-O 3.18Å; R304-H450 WeakPolarHBondContact CB-O 3.48Å
305G91.6Very high94.5Very high3 Ų329.2 Ų29.23%0.03113%0.132CC..  trans-86.8175.9173.200000114.3T300 E303 G451 K452 N521T300-G305 VanDerWaalsContact O-CA 3.26Å; T300-G305 WeakPolarHBondContact O-CA 3.13Å; T300-G305 PolarHBondContact O-N 2.54Å; E303-G305 VanDerWaalsContact C-N 3.35Å; G305-G451 WeakPolarHBondContact O-CA 3.47Å; G305-K452 PolarHBondContact O-N 3.02Å; G305-N521 CarbonylContact C-O 3.59Å; G305-N521 WeakPolarHBondContact CA-O 3.03Å
306M91.2Very high94Very high36 Ų3626 Ų2618%0.17713%0.132CC..EExtended strand (participates in β ladder)trans-110.9121.9173.6-64.7-70.1-65.600108.4K452 N521 S522 R523M306-K452 HydrophobicContact CE-CB 3.95Å; M306-K452 HydrophobicContact CE-CD 3.94Å; M306-K452 HydrophobicContact CE-CG 4.37Å; M306-K452 HydrophobicContact SD-CB 3.79Å; M306-N521 PolarHBondContact N-O 2.87Å; M306-S522 VanDerWaalsContact O-CA 3.27Å; M306-S522 WeakPolarHBondContact O-CA 3.35Å; M306-R523 PolarHBondContact O-N 2.95Å
307A94.4Very high93.9Very high0 Ų024.3 Ų24.30%012%0.121CC..EExtended strand (participates in β ladder)trans-107.5138.9175.900000110.3L297 I301 K452 F453 S454 R523L297-A307 HydrophobicContact CB-CB 3.91Å; L297-A307 WeakPolarHBondContact O-CB 3.27Å; I301-A307 HydrophobicContact CG2-CB 3.6Å; A307-K452 PolarHBondContact N-O 2.89Å; A307-F453 HydrophobicContact CB-CB 4.14Å; A307-F453 HydrophobicContact CB-CD1 4.27Å; A307-F453 HydrophobicContact CB-CD2 3.5Å; A307-F453 HydrophobicContact CB-CE2 3.89Å; A307-F453 HydrophobicContact CB-CG 3.71Å; A307-F453 HydrophobicContact CB-CZ 4.43Å; A307-F453 CarbonylContact O-C 3.53Å; A307-F453 VanDerWaalsContact O-CA 3.27Å; A307-F453 WeakPolarHBondContact O-CA 3.39Å; A307-S454 PolarHBondContact O-N 3.47Å; A307-R523 WeakPolarHBondContact CA-O 3.13Å
308T94.6Very high93.7Very high1 Ų124.8 Ų24.81%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-135.9132.1167.9-76.30000111F310 S454 I456 L513 S516 R523 T524 C525T308-F310 HydrophobicContact CG2-CD1 4.32Å; T308-S454 CarbonylContact C-O 3.58Å; T308-S454 VanDerWaalsContact CA-O 3.28Å; T308-S454 WeakPolarHBondContact CA-O 3.07Å; T308-I456 HydrophobicContact CG2-CD1 4.01Å; T308-L513 HydrophobicContact CG2-CD2 3.86Å; T308-S516 VanDerWaalsContact OG1-CB 3.27Å; T308-S516 WeakPolarHBondContact OG1-CB 3.39Å; T308-S516 PolarHBondContact OG1-OG 2.93Å; T308-R523 PolarHBondContact N-O 3.22Å; T308-T524 CarbonylContact O-C 3.52Å; T308-T524 VanDerWaalsContact O-CA 3.27Å; T308-T524 WeakPolarHBondContact O-CA 3.44Å; T308-C525 PolarHBondContact O-N 2.9Å
309C96.3Very high93.5Very high0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-125.5126.5170.7-179.10000108.9A294 L297 F453 S454 L455 I456 C525A294-C309 HydrophobicContact CB-CB 4.24Å; L297-C309 HydrophobicContact CD1-CB 4.24Å; C309-F453 HydrophobicContact CB-CE2 3.77Å; C309-F453 HydrophobicContact CB-CZ 4.24Å; C309-S454 PolarHBondContact N-O 2.74Å; C309-L455 CarbonylContact O-C 3.53Å; C309-L455 WeakPolarHBondContact O-CA 3.42Å; C309-I456 PolarHBondContact O-N 2.92Å; C309-C525 VanDerWaalsContact CA-O 3.31Å; C309-C525 WeakPolarHBondContact CA-O 3.38Å
310F95.2Very high93.4Very high0 Ų022.2 Ų22.20%012%0.117CC..EExtended strand (participates in β ladder)trans-131.3134.9-179.368.6-92.7000113.2T308 I456 L458 F517 T524 C525 M526 I527T308-F310 HydrophobicContact CG2-CD1 4.32Å; F310-I456 WeakPolarHBondContact CA-O 3.33Å; F310-I456 HydrophobicContact CB-CB 3.83Å; F310-I456 HydrophobicContact CB-CG2 4.32Å; F310-L458 HydrophobicContact CD2-CD1 3.67Å; F310-L458 HydrophobicContact CE2-CD1 4.3Å; F310-L458 HydrophobicContact CG-CD1 4.47Å; F310-F517 HydrophobicContact CE1-CZ 4.32Å; F310-T524 HydrophobicContact CD1-CG2 4.16Å; F310-T524 HydrophobicContact CE1-CG2 3.74Å; F310-C525 PolarHBondContact N-O 3.4Å; F310-M526 HydrophobicContact CD2-CG 4.26Å; F310-M526 HydrophobicContact CE1-CB 4.01Å; F310-M526 HydrophobicContact CE2-CB 3.9Å; F310-M526 HydrophobicContact CE2-CE 4.41Å; F310-M526 HydrophobicContact CE2-CG 3.51Å; F310-M526 HydrophobicContact CE2-SD 3.85Å; F310-M526 HydrophobicContact CZ-CB 3.59Å; F310-M526 HydrophobicContact CZ-CG 3.68Å; F310-M526 HydrophobicContact CZ-SD 3.87Å; F310-I527 PolarHBondContact O-N 3.16Å
311A96.3Very high93.2Very high0 Ų025.2 Ų25.20%013%0.131CC..EExtended strand (participates in β ladder)trans-90132.9171.500000111K319 M323 I456 L458 I527A311-K319 HydrophobicContact CB-CB 3.86Å; A311-K319 HydrophobicContact CB-CG 4.12Å; A311-M323 HydrophobicContact CB-CG 3.62Å; A311-M323 HydrophobicContact CB-SD 3.87Å; A311-I456 PolarHBondContact N-O 3.1Å; A311-L458 VanDerWaalsContact O-CB 3.29Å; A311-L458 WeakPolarHBondContact O-CB 3.45Å; A311-L458 WeakPolarHBondContact O-CG 3.35Å; A311-L458 PolarHBondContact O-N 2.91Å; A311-I527 CarbonylContact C-O 3.46Å; A311-I527 WeakPolarHBondContact CA-O 3.49Å
312Y94.9Very high93.2Very high2 Ų225.2 Ų25.21%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-132.7154.5-177.8178.8-97.7000111.3L458 N461 L485 K489 M526 I527 A528 T529 T543 Y546Y312-L458 HydrophobicContact CD2-CD1 3.9Å; Y312-N461 WeakPolarHBondContact CE1-ND2 3.4Å; Y312-N461 HydrophobicContact CE2-CB 3.93Å; Y312-N461 WeakPolarHBondContact OH-CB 3.44Å; Y312-N461 PolarHBondContact OH-ND2 3.49Å; Y312-L485 HydrophobicContact CD2-CD2 4.29Å; Y312-L485 HydrophobicContact CE2-CD1 4.2Å; Y312-L485 HydrophobicContact CE2-CD2 4.02Å; Y312-K489 WeakPolarHBondContact OH-CE 3.46Å; Y312-M526 HydrophobicContact CD1-CE 3.6Å; Y312-M526 HydrophobicContact CE1-CE 4.4Å; Y312-M526 HydrophobicContact CG-CE 3.94Å; Y312-I527 PolarHBondContact N-O 2.91Å; Y312-A528 CarbonylContact O-C 3.55Å; Y312-T529 PolarHBondContact O-N 2.88Å; Y312-T529 PolarHBondContact O-OG1 3.14Å; Y312-T543 HydrophobicContact CD1-CG2 3.92Å; Y312-T543 HydrophobicContact CE1-CG2 3.99Å; Y312-Y546 AromaticContact CD1-CD1 3.79Å; Y312-Y546 HydrophobicContact CD1-CD1 3.79Å; Y312-Y546 HydrophobicContact CD1-CE1 4.19Å; Y312-Y546 HydrophobicContact CD2-CE1 4.26Å; Y312-Y546 AromaticContact CE1-CD1 3.27Å; Y312-Y546 HydrophobicContact CE1-CD1 3.27Å; Y312-Y546 AromaticContact CE1-CE1 3.92Å; Y312-Y546 HydrophobicContact CE1-CE1 3.92Å; Y312-Y546 HydrophobicContact CE1-CG 4.21Å; Y312-Y546 HydrophobicContact CE2-CD1 4.12Å; Y312-Y546 AromaticContact CE2-CE1 3.97Å; Y312-Y546 HydrophobicContact CE2-CE1 3.97Å; Y312-Y546 HydrophobicContact CG-CD1 4.41Å; Y312-Y546 HydrophobicContact CG-CE1 4.35Å; Y312-Y546 AromaticContact CZ-CD1 3.44Å; Y312-Y546 VanDerWaalsContact CZ-CD1 3.44Å; Y312-Y546 AromaticContact CZ-CE1 3.77Å
313G94Very high93.2Very high0 Ų025 Ų250%013%0.13CC..SBendtrans135-179.1179.800000113K319 N461G313-K319 PolarHBondContact O-NZ 2.82Å; G313-N461 PolarHBondContact O-N 3.03Å; G313-N461 PolarHBondContact O-OD1 3.45Å
314Q90.1Very high93Very high15 Ų1519.5 Ų19.57%0.0711%0.105CC..  trans-65.7162.3-175.262.7-179.695.900113.1G316 S317 K319 N461 S531 S536 N539Q314-G316 PolarHBondContact O-N 3.15Å; Q314-S317 VanDerWaalsContact O-CB 3.31Å; Q314-S317 WeakPolarHBondContact O-CB 3.36Å; Q314-S317 PolarHBondContact O-N 3.07Å; Q314-S317 PolarHBondContact O-OG 3.34Å; Q314-K319 PolarHBondContact O-NZ 3.44Å; Q314-N461 WeakPolarHBondContact CA-OD1 3.44Å; Q314-N461 PolarHBondContact N-OD1 3.26Å; Q314-S531 PolarHBondContact NE2-OG 2.85Å; Q314-S531 VanDerWaalsContact NE2-OG 3.08Å; Q314-S531 PolarHBondContact OE1-OG 2.84Å; Q314-S536 PolarHBondContact NE2-OG 2.94Å; Q314-N539 HydrophobicContact CB-CB 4.14Å
315T87.9Confident92.7Very high27 Ų2711.5 Ų11.517%0.1667%0.074CC..THydrogen-bonded Turntrans-58.3136.6162.2-74.80000110.8N429 S433 E462T315-N429 HydrophobicContact CG2-CB 3.65Å; T315-S433 WeakPolarHBondContact OG1-CB 3.38Å; T315-E462 WeakPolarHBondContact CB-OE1 3.46Å; T315-E462 PolarHBondContact N-OE2 2.75Å; T315-E462 PolarHBondContact OG1-OE1 2.9Å; T315-E462 PolarHBondContact OG1-OE2 2.98Å
316G87.1Confident92.3Very high39 Ų3913.4 Ų13.440%0.4028%0.084SC..THydrogen-bonded Turntrans83.8-8.1-173.900000116.1R231 Q314 G318R231-G316 WeakPolarHBondContact CD-O 3.31Å; R231-G316 PolarHBondContact NE-O 3.29Å; Q314-G316 PolarHBondContact O-N 3.15Å; G316-G318 VanDerWaalsContact C-N 3.33Å; G316-G318 PolarHBondContact O-N 2.69Å
317S92.6Very high91.8Very high3 Ų316.1 Ų16.12%0.02110%0.095CC..SBendtrans-67-22.8-179.152.70000116.3Q314 T529Q314-S317 VanDerWaalsContact O-CB 3.31Å; Q314-S317 WeakPolarHBondContact O-CB 3.36Å; Q314-S317 PolarHBondContact O-N 3.07Å; Q314-S317 PolarHBondContact O-OG 3.34Å; S317-T529 VanDerWaalsContact CB-O 3.27Å; S317-T529 WeakPolarHBondContact CB-O 3.26Å; S317-T529 WeakPolarHBondContact CB-OG1 3.13Å; S317-T529 PolarHBondContact OG-OG1 3.43Å
318G92.8Very high90.8Very high21 Ų2120.7 Ų20.722%0.21613%0.127CC..SBendtrans1107.6-177.300000116.4G316 T320 H321 T322G316-G318 VanDerWaalsContact C-N 3.33Å; G316-G318 PolarHBondContact O-N 2.69Å; G318-T320 PolarHBondContact O-N 3.28Å; G318-H321 WeakPolarHBondContact O-CB 3.18Å; G318-H321 PolarHBondContact O-N 3.02Å; G318-T322 PolarHBondContact O-N 3.42Å; G318-T322 PolarHBondContact O-OG1 3.04Å
319K94.2Very high89.7Confident8 Ų824.2 Ų24.24%0.03516%0.164CC..Hα-helixtrans-43.6-61.6173.3-61.2-173.1-65-73.50113A311 G313 Q314 H321 T322 M323 D457 L458 A459 T529A311-K319 HydrophobicContact CB-CB 3.86Å; A311-K319 HydrophobicContact CB-CG 4.12Å; G313-K319 PolarHBondContact O-NZ 2.82Å; Q314-K319 PolarHBondContact O-NZ 3.44Å; K319-H321 VanDerWaalsContact C-N 3.33Å; K319-H321 PolarHBondContact O-N 3.49Å; K319-T322 WeakPolarHBondContact O-CB 3.45Å; K319-T322 PolarHBondContact O-N 3.1Å; K319-M323 WeakPolarHBondContact O-CG 3.39Å; K319-M323 PolarHBondContact O-N 3.02Å; K319-D457 VanDerWaalsContact C-OD1 3.23Å; K319-D457 WeakPolarHBondContact CB-OD1 3.46Å; K319-L458 WeakPolarHBondContact CE-O 2.82Å; K319-A459 WeakPolarHBondContact CE-O 3.27Å; K319-T529 WeakPolarHBondContact CG-OG1 3.41Å
320T91.4Very high88.3Confident13 Ų1334.1 Ų34.18%0.0821%0.207CC..Hα-helixtrans-71.1-25.9-174.6-40.20000113.3G318 G324 F327 Q332 S432 D457G318-T320 PolarHBondContact O-N 3.28Å; T320-G324 WeakPolarHBondContact O-CA 3.38Å; T320-G324 PolarHBondContact O-N 2.9Å; T320-F327 HydrophobicContact CG2-CZ 4.18Å; T320-Q332 PolarHBondContact O-NE2 3.43Å; T320-S432 WeakPolarHBondContact OG1-CB 3.4Å; T320-S432 PolarHBondContact OG1-OG 3.2Å; T320-D457 VanDerWaalsContact CA-OD1 3.3Å; T320-D457 WeakPolarHBondContact CA-OD1 3.41Å; T320-D457 WeakPolarHBondContact CG2-OD2 3.32Å; T320-D457 PolarHBondContact N-OD1 2.71Å; T320-D457 VanDerWaalsContact OG1-CG 3.31Å; T320-D457 PolarHBondContact OG1-OD1 3.46Å; T320-D457 VanDerWaalsContact OG1-OD1 3.07Å; T320-D457 PolarHBondContact OG1-OD2 3.03Å
321H92.6Very high87.1Confident70 Ų7040 Ų4032%0.32424%0.238SC..Hα-helixtrans-66.6-40170.1-176.1-53000111.1N286 G318 K319 G325 D326 F327N286-H321 PolarHBondContact ND2-O 2.77Å; N286-H321 PolarHBondContact OD1-ND1 2.81Å; G318-H321 WeakPolarHBondContact O-CB 3.18Å; G318-H321 PolarHBondContact O-N 3.02Å; K319-H321 VanDerWaalsContact C-N 3.33Å; K319-H321 PolarHBondContact O-N 3.49Å; H321-G325 CarbonylContact O-C 3.27Å; H321-G325 VanDerWaalsContact O-CA 3.3Å; H321-G325 WeakPolarHBondContact O-CA 3.5Å; H321-G325 PolarHBondContact O-N 2.86Å; H321-G325 VanDerWaalsContact O-N 3.07Å; H321-D326 IonicContact CE1-OD1 3.8Å; H321-D326 PolarHBondContact CE1-OD1 3.05Å; H321-D326 IonicContact ND1-OD1 2.75Å; H321-D326 IonicContact NE2-OD1 3Å; H321-F327 HydrophobicContact CB-CE2 4.49Å
322T96.1Very high86.4Confident1 Ų141.7 Ų41.71%0.00625%0.246CC..Hα-helixtrans-70.4-47.3178.7-52.40000110.7R229 V289 G318 K319 I338 I527R229-T322 PolarHBondContact NH1-OG1 2.77Å; V289-T322 HydrophobicContact CG1-CG2 4.03Å; G318-T322 PolarHBondContact O-N 3.42Å; G318-T322 PolarHBondContact O-OG1 3.04Å; K319-T322 WeakPolarHBondContact O-CB 3.45Å; K319-T322 PolarHBondContact O-N 3.1Å; T322-I338 HydrophobicContact CG2-CD1 3.71Å; T322-I338 HydrophobicContact CG2-CG1 4.44Å; T322-I338 WeakPolarHBondContact O-CG1 3.27Å; T322-I338 PolarHBondContact O-N 2.97Å; T322-I527 HydrophobicContact CG2-CD1 4.27Å; T322-I527 HydrophobicContact CG2-CG2 4.48Å
323M95.6Very high85.9Confident0 Ų044.4 Ų44.40%026%0.261CS..Hα-helixtrans-76.6-47.1-177.1-59.3-51.2-65.800113.2A311 K319 G337 I338 Y339 L455 D457A311-M323 HydrophobicContact CB-CG 3.62Å; A311-M323 HydrophobicContact CB-SD 3.87Å; K319-M323 WeakPolarHBondContact O-CG 3.39Å; K319-M323 PolarHBondContact O-N 3.02Å; M323-G337 CarbonylContact O-C 3.47Å; M323-G337 WeakPolarHBondContact O-CA 3.38Å; M323-I338 HydrophobicContact CE-CG2 4.12Å; M323-I338 PolarHBondContact O-N 3Å; M323-I338 HydrophobicContact SD-CB 4.43Å; M323-I338 HydrophobicContact SD-CD1 4.48Å; M323-I338 HydrophobicContact SD-CG2 4.45Å; M323-Y339 HydrophobicContact CB-CE1 3.95Å; M323-Y339 HydrophobicContact CB-CE2 4.24Å; M323-Y339 HydrophobicContact CE-CD1 4.22Å; M323-Y339 HydrophobicContact CE-CE1 3.75Å; M323-Y339 VanDerWaalsContact O-CD2 3.3Å; M323-Y339 WeakPolarHBondContact O-CD2 3.49Å; M323-Y339 VanDerWaalsContact O-CG 3.23Å; M323-Y339 PolarHBondContact O-N 3.14Å; M323-L455 HydrophobicContact CE-CB 3.87Å; M323-D457 HydrophobicContact CB-CB 4.11Å; M323-D457 HydrophobicContact CG-CB 4.06Å
324G89.9Confident85.6Confident2 Ų244.8 Ų44.82%0.02126%0.263CS..Hα-helixtrans-106.3-4.1-170.800000116.2T320 Q332 C334T320-G324 WeakPolarHBondContact O-CA 3.38Å; T320-G324 PolarHBondContact O-N 2.9Å; G324-Q332 PolarHBondContact O-NE2 2.83Å; G324-Q332 VanDerWaalsContact O-NE2 3.13Å; G324-C334 WeakPolarHBondContact O-CA 3.18Å
325G88.6Confident85.6Confident0 Ų046.9 Ų46.90%028%0.28CS..  trans96.5176.3174.900000115.6H321 Q332 D333 G337H321-G325 CarbonylContact O-C 3.27Å; H321-G325 VanDerWaalsContact O-CA 3.3Å; H321-G325 WeakPolarHBondContact O-CA 3.5Å; H321-G325 PolarHBondContact O-N 2.86Å; H321-G325 VanDerWaalsContact O-N 3.07Å; G325-Q332 PolarHBondContact O-NE2 3.04Å; G325-D333 WeakPolarHBondContact CA-O 3.21Å; G325-G337 VanDerWaalsContact N-CA 3.29Å
326D83.4Confident85.6Confident44 Ų4449.2 Ų49.224%0.23529%0.287CS..EExtended strand (participates in β ladder)trans-64.1153.9-170.6-58.61.8000113.1H321 Q332 D333 K336H321-D326 IonicContact CE1-OD1 3.8Å; H321-D326 PolarHBondContact CE1-OD1 3.05Å; H321-D326 IonicContact ND1-OD1 2.75Å; H321-D326 IonicContact NE2-OD1 3Å; D326-Q332 CarbonylContact O-C 3.56Å; D326-Q332 WeakPolarHBondContact O-CA 3.26Å; D326-Q332 WeakPolarHBondContact O-CG 3.49Å; D326-D333 HydrophobicContact CB-CB 4.42Å; D326-D333 PolarHBondContact O-N 3.01Å; D326-K336 HydrophobicContact CB-CD 4.48Å; D326-K336 WeakPolarHBondContact OD2-CD 3.45Å; D326-K336 IonicContact OD2-NZ 2.85Å; D326-K336 PolarHBondContact OD2-NZ 3.42Å
327F79.6Confident86Confident93 Ų9347.3 Ų47.341%0.40827%0.268SS..EExtended strand (participates in β ladder)trans-110.6115.8176-69.5-87.3000112.6T320 H321 Q332T320-F327 HydrophobicContact CG2-CZ 4.18Å; H321-F327 HydrophobicContact CB-CE2 4.49Å; F327-Q332 HydrophobicContact CD1-CB 4.06Å; F327-Q332 HydrophobicContact CD1-CG 4.1Å; F327-Q332 HydrophobicContact CE1-CB 3.95Å; F327-Q332 HydrophobicContact CE1-CG 3.84Å; F327-Q332 HydrophobicContact CZ-CG 4.08Å
328S72.8Confident86.3Confident95 Ų9547.2 Ų47.266%0.66427%0.267SS*.EExtended strand (participates in β ladder)trans-99.781.4169.3178.50000110K330 N331S328-K330 PolarHBondContact O-N 3.01Å; S328-K330 VanDerWaalsContact O-N 3.16Å; S328-N331 PolarHBondContact N-O 3.25Å; S328-N331 PolarHBondContact O-N 3.13Å; S328-N331 VanDerWaalsContact O-N 3.17Å
329G72.1Confident86.4Confident76 Ų7646.3 Ų46.378%0.78426%0.257SS*.THydrogen-bonded Turntrans71.9-104.8-177.200000111.6
330K66.9Low86.5Confident208 Ų20846.1 Ų46.190%0.90426%0.257SS*.THydrogen-bonded Turntrans-97.3-15.4173-69.7-173.1179.4-179.70113.7S328S328-K330 PolarHBondContact O-N 3.01Å; S328-K330 VanDerWaalsContact O-N 3.16Å
331N71.3Confident86.8Confident122 Ų12245.7 Ų45.765%0.65226%0.255SS*.EExtended strand (participates in β ladder)trans-90.1137.2-177.9-62.91.5000109.1S328S328-N331 PolarHBondContact N-O 3.25Å; S328-N331 PolarHBondContact O-N 3.13Å; S328-N331 VanDerWaalsContact O-N 3.17Å
332Q79.9Confident87.1Confident36 Ų3642.4 Ų42.417%0.16824%0.239CC..EExtended strand (participates in β ladder)trans-103130.4173.3-167.5167.916.500109.5T320 G324 G325 D326 F327 C334 N418T320-Q332 PolarHBondContact O-NE2 3.43Å; G324-Q332 PolarHBondContact O-NE2 2.83Å; G324-Q332 VanDerWaalsContact O-NE2 3.13Å; G325-Q332 PolarHBondContact O-NE2 3.04Å; D326-Q332 CarbonylContact O-C 3.56Å; D326-Q332 WeakPolarHBondContact O-CA 3.26Å; D326-Q332 WeakPolarHBondContact O-CG 3.49Å; F327-Q332 HydrophobicContact CD1-CB 4.06Å; F327-Q332 HydrophobicContact CD1-CG 4.1Å; F327-Q332 HydrophobicContact CE1-CB 3.95Å; F327-Q332 HydrophobicContact CE1-CG 3.84Å; F327-Q332 HydrophobicContact CZ-CG 4.08Å; Q332-C334 PolarHBondContact O-N 3.5Å; Q332-N418 PolarHBondContact OE1-ND2 2.96Å
333D85.8Confident87.2Confident60 Ų6042.4 Ų42.432%0.32124%0.24SC..EExtended strand (participates in β ladder)trans-84.785.5171.2-179.73000109.1G325 D326 S335 K336G325-D333 WeakPolarHBondContact CA-O 3.21Å; D326-D333 HydrophobicContact CB-CB 4.42Å; D326-D333 PolarHBondContact O-N 3.01Å; D333-S335 PolarHBondContact O-N 2.98Å; D333-S335 VanDerWaalsContact O-N 3.08Å; D333-S335 VanDerWaalsContact OD1-CB 3.31Å; D333-S335 WeakPolarHBondContact OD1-CB 3.33Å; D333-S335 PolarHBondContact OD1-N 2.9Å; D333-S335 VanDerWaalsContact OD1-N 3.14Å; D333-S335 PolarHBondContact OD1-OG 3.21Å; D333-K336 PolarHBondContact O-N 3.2Å; D333-K336 WeakPolarHBondContact OD2-CE 3.34Å; D333-K336 IonicContact OD2-NZ 3.6Å
334C87Confident87.3Confident7 Ų747 Ų475%0.04726%0.257CS..G310 helixtrans-62-16-178.1-600000113.6G324 Q332 K336 G337 A340 L411 I414 D415G324-C334 WeakPolarHBondContact O-CA 3.18Å; Q332-C334 PolarHBondContact O-N 3.5Å; C334-K336 VanDerWaalsContact C-N 3.28Å; C334-K336 PolarHBondContact O-N 2.83Å; C334-G337 PolarHBondContact O-N 2.97Å; C334-A340 WeakPolarHBondContact O-CB 3.26Å; C334-L411 HydrophobicContact CB-CD2 4.17Å; C334-I414 HydrophobicContact CB-CG2 3.95Å; C334-D415 PolarHBondContact SG-OD1 3.27Å
335S89.1Confident87.7Confident60 Ų6047.7 Ų47.742%0.4226%0.26SS..G310 helixtrans-67.3-25.9-177.876.70000114D333 A340D333-S335 PolarHBondContact O-N 2.98Å; D333-S335 VanDerWaalsContact O-N 3.08Å; D333-S335 VanDerWaalsContact OD1-CB 3.31Å; D333-S335 WeakPolarHBondContact OD1-CB 3.33Å; D333-S335 PolarHBondContact OD1-N 2.9Å; D333-S335 VanDerWaalsContact OD1-N 3.14Å; D333-S335 PolarHBondContact OD1-OG 3.21Å; S335-A340 WeakPolarHBondContact O-CB 3.35Å
336K89.8Confident88.1Confident75 Ų7547.7 Ų47.733%0.32626%0.26SS..G310 helixtrans-96.7-2.3179.8-57.9176.6-173.8177.80114N286 D326 D333 C334N286-K336 VanDerWaalsContact CB-O 3.28Å; N286-K336 WeakPolarHBondContact CB-O 3.26Å; N286-K336 PolarHBondContact ND2-O 2.89Å; D326-K336 HydrophobicContact CB-CD 4.48Å; D326-K336 WeakPolarHBondContact OD2-CD 3.45Å; D326-K336 IonicContact OD2-NZ 2.85Å; D326-K336 PolarHBondContact OD2-NZ 3.42Å; D333-K336 PolarHBondContact O-N 3.2Å; D333-K336 WeakPolarHBondContact OD2-CE 3.34Å; D333-K336 IonicContact OD2-NZ 3.6Å; C334-K336 VanDerWaalsContact C-N 3.28Å; C334-K336 PolarHBondContact O-N 2.83Å
337G95Very high88.9Confident0 Ų046.5 Ų46.50%025%0.253CS..SBendtrans-72.4148.6176.700000111.9M323 G325 C334 Y339 A340 L341M323-G337 CarbonylContact O-C 3.47Å; M323-G337 WeakPolarHBondContact O-CA 3.38Å; G325-G337 VanDerWaalsContact N-CA 3.29Å; C334-G337 PolarHBondContact O-N 2.97Å; G337-Y339 PolarHBondContact O-N 3.3Å; G337-A340 PolarHBondContact O-N 3.24Å; G337-L341 WeakPolarHBondContact O-CG 3.47Å; G337-L341 PolarHBondContact O-N 3.15Å
338I97.8Very high89.7Confident0 Ų046.6 Ų46.60%026%0.257CS..Hα-helixtrans-51.5-31.2171.8-76.6-177.5000112V289 Y290 A294 T322 M323 A340 A342 L455 I527V289-I338 HydrophobicContact CG1-CD1 4.24Å; Y290-I338 HydrophobicContact CD2-CG1 4.21Å; Y290-I338 HydrophobicContact CD2-CG2 4.28Å; A294-I338 HydrophobicContact CB-CG2 3.66Å; T322-I338 HydrophobicContact CG2-CD1 3.71Å; T322-I338 HydrophobicContact CG2-CG1 4.44Å; T322-I338 WeakPolarHBondContact O-CG1 3.27Å; T322-I338 PolarHBondContact O-N 2.97Å; M323-I338 HydrophobicContact CE-CG2 4.12Å; M323-I338 PolarHBondContact O-N 3Å; M323-I338 HydrophobicContact SD-CB 4.43Å; M323-I338 HydrophobicContact SD-CD1 4.48Å; M323-I338 HydrophobicContact SD-CG2 4.45Å; I338-A340 PolarHBondContact O-N 3.44Å; I338-A342 WeakPolarHBondContact O-CB 3.2Å; I338-A342 PolarHBondContact O-N 2.68Å; I338-L455 HydrophobicContact CG2-CD2 3.64Å; I338-I527 HydrophobicContact CD1-CD1 3.62Å
339Y95.8Very high90.9Very high3 Ų342.9 Ų42.91%0.01223%0.229CC..Hα-helixtrans-55.4-48.9172.1-59.5-30.6000113.1M323 G337 A343 F366 I414 F439 L455 D457M323-Y339 HydrophobicContact CB-CE1 3.95Å; M323-Y339 HydrophobicContact CB-CE2 4.24Å; M323-Y339 HydrophobicContact CE-CD1 4.22Å; M323-Y339 HydrophobicContact CE-CE1 3.75Å; M323-Y339 VanDerWaalsContact O-CD2 3.3Å; M323-Y339 WeakPolarHBondContact O-CD2 3.49Å; M323-Y339 VanDerWaalsContact O-CG 3.23Å; M323-Y339 PolarHBondContact O-N 3.14Å; G337-Y339 PolarHBondContact O-N 3.3Å; Y339-A343 WeakPolarHBondContact O-CB 3.27Å; Y339-A343 PolarHBondContact O-N 2.73Å; Y339-A343 VanDerWaalsContact O-N 3.14Å; Y339-F366 HydrophobicContact CE2-CZ 4.07Å; Y339-I414 HydrophobicContact CD2-CG2 4.23Å; Y339-F439 HydrophobicContact CD1-CB 3.99Å; Y339-F439 AromaticContact CD1-CD1 3.91Å; Y339-F439 HydrophobicContact CD1-CD1 3.91Å; Y339-F439 HydrophobicContact CD1-CG 4.26Å; Y339-F439 HydrophobicContact CE1-CB 3.81Å; Y339-F439 HydrophobicContact CG-CB 4.42Å; Y339-F439 HydrophobicContact CG-CD1 4.11Å; Y339-F439 HydrophobicContact CG-CG 4.4Å; Y339-L455 HydrophobicContact CD1-CB 3.58Å; Y339-L455 HydrophobicContact CE1-CB 3.63Å; Y339-L455 WeakPolarHBondContact CE1-O 3.36Å; Y339-D457 WeakPolarHBondContact OH-CB 3.11Å
340A96.1Very high92Very high4 Ų441 Ų413%0.03320%0.202CC..Hα-helixtrans-77-38.8-178.700000112.3C334 S335 G337 I338 A342 A343 R344 L411C334-A340 WeakPolarHBondContact O-CB 3.26Å; S335-A340 WeakPolarHBondContact O-CB 3.35Å; G337-A340 PolarHBondContact O-N 3.24Å; I338-A340 PolarHBondContact O-N 3.44Å; A340-A342 VanDerWaalsContact C-N 3.34Å; A340-A342 PolarHBondContact O-N 3.33Å; A340-A343 PolarHBondContact O-N 2.76Å; A340-R344 WeakPolarHBondContact O-CB 3.32Å; A340-R344 PolarHBondContact O-N 3.22Å; A340-L411 HydrophobicContact CB-CD2 3.67Å
341L97.9Very high93.4Very high4 Ų438.6 Ų38.62%0.02119%0.191CC..Hα-helixtrans-60.9-43175.4-62.5173.2000111.1N286 E287 Y290 G337 R344 D345N286-L341 HydrophobicContact CB-CD1 4.48Å; E287-L341 HydrophobicContact CG-CD1 4.44Å; E287-L341 HydrophobicContact CG-CD2 4.31Å; Y290-L341 HydrophobicContact CD1-CB 3.82Å; Y290-L341 HydrophobicContact CD1-CD1 4.27Å; Y290-L341 HydrophobicContact CD2-CB 3.75Å; Y290-L341 HydrophobicContact CD2-CD1 4.45Å; Y290-L341 HydrophobicContact CE1-CB 3.99Å; Y290-L341 HydrophobicContact CE2-CB 3.98Å; Y290-L341 HydrophobicContact CG-CB 3.71Å; Y290-L341 HydrophobicContact CG-CD1 3.87Å; Y290-L341 HydrophobicContact CG-CG 4.42Å; Y290-L341 PolarHBondContact OH-O 3.07Å; G337-L341 WeakPolarHBondContact O-CG 3.47Å; G337-L341 PolarHBondContact O-N 3.15Å; L341-R344 VanDerWaalsContact CD2-NH1 3.28Å; L341-R344 PolarHBondContact O-N 2.94Å; L341-D345 PolarHBondContact O-N 3.06Å; L341-D345 VanDerWaalsContact O-N 3.15Å
342A98.3Very high94.6Very high0 Ų036.9 Ų36.90%018%0.178CC..Hα-helixtrans-63.9-45.1173.300000112.2Y290 I338 A340 R344 D345 V346 I441 F453 L455Y290-A342 HydrophobicContact CE2-CB 4.05Å; I338-A342 WeakPolarHBondContact O-CB 3.2Å; I338-A342 PolarHBondContact O-N 2.68Å; A340-A342 VanDerWaalsContact C-N 3.34Å; A340-A342 PolarHBondContact O-N 3.33Å; A342-R344 VanDerWaalsContact C-N 3.34Å; A342-R344 PolarHBondContact O-N 2.77Å; A342-D345 PolarHBondContact O-N 3.45Å; A342-V346 WeakPolarHBondContact O-CB 3.32Å; A342-V346 VanDerWaalsContact O-CG2 3.27Å; A342-V346 WeakPolarHBondContact O-CG2 3.18Å; A342-V346 PolarHBondContact O-N 3.01Å; A342-I441 HydrophobicContact CB-CD1 4.21Å; A342-F453 HydrophobicContact CB-CE1 4.33Å; A342-L455 HydrophobicContact CB-CD2 3.83Å
343A97.9Very high95.3Very high2 Ų240.2 Ų40.22%0.01720%0.202CC..Hα-helixtrans-61.6-40.6177.700000112.7Y339 A340 V346 F347 V410 I441Y339-A343 WeakPolarHBondContact O-CB 3.27Å; Y339-A343 PolarHBondContact O-N 2.73Å; Y339-A343 VanDerWaalsContact O-N 3.14Å; A340-A343 PolarHBondContact O-N 2.76Å; A343-V346 PolarHBondContact O-N 2.76Å; A343-F347 WeakPolarHBondContact O-CD2 3.45Å; A343-F347 PolarHBondContact O-N 2.8Å; A343-V410 HydrophobicContact CB-CB 4.08Å; A343-V410 HydrophobicContact CB-CG1 3.67Å; A343-V410 HydrophobicContact CB-CG2 4.16Å; A343-I441 HydrophobicContact CB-CD1 4.17Å
344R97.9Very high95.7Very high95 Ų9542.7 Ų42.736%0.35822%0.216SC..Hα-helixtrans-58.6-54.2174.4-177.5-162.266.7-150.6-6.8111.3A340 L341 A342 V346 F347 L348 V407A340-R344 WeakPolarHBondContact O-CB 3.32Å; A340-R344 PolarHBondContact O-N 3.22Å; L341-R344 VanDerWaalsContact CD2-NH1 3.28Å; L341-R344 PolarHBondContact O-N 2.94Å; A342-R344 VanDerWaalsContact C-N 3.34Å; A342-R344 PolarHBondContact O-N 2.77Å; R344-V346 VanDerWaalsContact C-N 3.29Å; R344-V346 PolarHBondContact O-N 2.83Å; R344-F347 PolarHBondContact O-N 3.1Å; R344-L348 HydrophobicContact CG-CD1 4.18Å; R344-L348 WeakPolarHBondContact O-CG 3.21Å; R344-L348 PolarHBondContact O-N 3.49Å; R344-V407 HydrophobicContact CB-CG2 4.29Å
345D98.3Very high96.1Very high18 Ų1843.8 Ų43.810%0.09622%0.219CC..Hα-helixtrans-67.3-30.4-178-7738.7000111.3Y290 R295 L341 A342 L348 M349Y290-D345 WeakPolarHBondContact OH-CB 3.21Å; R295-D345 IonicContact CZ-OD2 3.99Å; R295-D345 IonicContact NE-OD2 3.98Å; R295-D345 PolarHBondContact NE-OD2 3.24Å; R295-D345 IonicContact NH2-OD2 3.91Å; L341-D345 PolarHBondContact O-N 3.06Å; L341-D345 VanDerWaalsContact O-N 3.15Å; A342-D345 PolarHBondContact O-N 3.45Å; D345-L348 PolarHBondContact O-N 2.94Å; D345-M349 WeakPolarHBondContact O-CB 3.39Å; D345-M349 WeakPolarHBondContact O-CG 3.41Å; D345-M349 PolarHBondContact O-N 2.87Å
346V98.4Very high96.3Very high0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-59-50.8168.11670000111.9V298 I301 F302 A342 A343 R344 L348 M349 L350 V362 I441 L443V298-V346 HydrophobicContact CG1-CB 4.49Å; V298-V346 HydrophobicContact CG1-CG2 3.63Å; I301-V346 HydrophobicContact CD1-CG2 4.05Å; F302-V346 HydrophobicContact CE2-CG1 4.35Å; F302-V346 HydrophobicContact CE2-CG2 4.5Å; F302-V346 HydrophobicContact CZ-CG1 4.22Å; F302-V346 WeakPolarHBondContact CZ-O 3.48Å; A342-V346 WeakPolarHBondContact O-CB 3.32Å; A342-V346 VanDerWaalsContact O-CG2 3.27Å; A342-V346 WeakPolarHBondContact O-CG2 3.18Å; A342-V346 PolarHBondContact O-N 3.01Å; A343-V346 PolarHBondContact O-N 2.76Å; R344-V346 VanDerWaalsContact C-N 3.29Å; R344-V346 PolarHBondContact O-N 2.83Å; V346-L348 VanDerWaalsContact C-N 3.28Å; V346-L348 PolarHBondContact O-N 2.87Å; V346-M349 PolarHBondContact O-N 3.18Å; V346-L350 PolarHBondContact O-N 2.8Å; V346-V362 HydrophobicContact CG1-CG1 4.39Å; V346-V362 HydrophobicContact CG1-CG2 4.49Å; V346-I441 HydrophobicContact CG1-CG2 4.25Å; V346-I441 HydrophobicContact CG2-CD1 4.29Å; V346-I441 HydrophobicContact CG2-CG2 4.35Å; V346-L443 HydrophobicContact CG1-CD2 4.23Å
347F98.3Very high96.6Very high19 Ų1951.6 Ų51.68%0.08325%0.246CC..Hα-helixtrans-69.7-22.8178.9-77.5-65000113.4A343 R344 L350 K351 V362 V404 C406 V407 V410A343-F347 WeakPolarHBondContact O-CD2 3.45Å; A343-F347 PolarHBondContact O-N 2.8Å; R344-F347 PolarHBondContact O-N 3.1Å; F347-L350 HydrophobicContact CD1-CD2 4.38Å; F347-K351 WeakPolarHBondContact O-CG 3.44Å; F347-V362 HydrophobicContact CD1-CG2 4.49Å; F347-V362 HydrophobicContact CE1-CB 4.21Å; F347-V362 HydrophobicContact CE1-CG2 3.91Å; F347-V362 HydrophobicContact CZ-CB 4.24Å; F347-V362 HydrophobicContact CZ-CG1 4.25Å; F347-V362 HydrophobicContact CZ-CG2 4.38Å; F347-V404 HydrophobicContact CZ-CB 4.31Å; F347-V404 HydrophobicContact CZ-CG2 4.03Å; F347-C406 VanDerWaalsContact CE2-C 3.41Å; F347-C406 VanDerWaalsContact CE2-O 3.25Å; F347-C406 WeakPolarHBondContact CE2-O 3.43Å; F347-V407 HydrophobicContact CB-CG2 4.45Å; F347-V407 HydrophobicContact CD2-CG2 3.95Å; F347-V410 HydrophobicContact CE2-CG2 4.08Å
348L97.4Very high96.6Very high94 Ų9453 Ų5349%0.49225%0.253SS..Hα-helixtrans-73.7-43.5168.4-68.6172000111.4R344 D345 V346 L350 K351R344-L348 HydrophobicContact CG-CD1 4.18Å; R344-L348 WeakPolarHBondContact O-CG 3.21Å; R344-L348 PolarHBondContact O-N 3.49Å; D345-L348 PolarHBondContact O-N 2.94Å; V346-L348 VanDerWaalsContact C-N 3.28Å; V346-L348 PolarHBondContact O-N 2.87Å; L348-L350 PolarHBondContact O-N 2.88Å; L348-K351 WeakPolarHBondContact O-CB 3.31Å; L348-K351 PolarHBondContact O-N 3Å; L348-K351 VanDerWaalsContact O-N 3.14Å
349M97.1Very high96.4Very high17 Ų1758.4 Ų58.48%0.08428%0.278CS..Hα-helixtrans-66.4-36.4178-74.7-170.25600112.7V298 E299 F302 D345 V346 K351 K352 Y355V298-M349 HydrophobicContact CB-SD 4.18Å; V298-M349 HydrophobicContact CG1-SD 3.59Å; V298-M349 VanDerWaalsContact CG1-SD 3.59Å; E299-M349 HydrophobicContact CB-CE 4.13Å; E299-M349 HydrophobicContact CG-CE 3.9Å; E299-M349 WeakPolarHBondContact OE1-CE 3.34Å; F302-M349 HydrophobicContact CB-CE 4.43Å; F302-M349 HydrophobicContact CD2-CB 4.09Å; F302-M349 HydrophobicContact CD2-CE 3.72Å; F302-M349 HydrophobicContact CD2-SD 4.41Å; F302-M349 HydrophobicContact CE1-CB 4.42Å; F302-M349 HydrophobicContact CE2-CB 3.54Å; F302-M349 HydrophobicContact CE2-CE 4.26Å; F302-M349 HydrophobicContact CE2-SD 4.49Å; F302-M349 HydrophobicContact CG-CE 4.2Å; F302-M349 HydrophobicContact CZ-CB 3.73Å; D345-M349 WeakPolarHBondContact O-CB 3.39Å; D345-M349 WeakPolarHBondContact O-CG 3.41Å; D345-M349 PolarHBondContact O-N 2.87Å; V346-M349 PolarHBondContact O-N 3.18Å; M349-K351 PolarHBondContact O-N 2.94Å; M349-K351 VanDerWaalsContact O-N 3.14Å; M349-K352 HydrophobicContact CB-CD 4.35Å; M349-K352 HydrophobicContact CG-CD 4.1Å; M349-K352 VanDerWaalsContact O-CB 3.28Å; M349-K352 WeakPolarHBondContact O-CB 3.42Å; M349-K352 PolarHBondContact O-N 2.88Å; M349-Y355 HydrophobicContact CB-CD2 4.5Å; M349-Y355 HydrophobicContact CE-CD2 4.23Å; M349-Y355 HydrophobicContact CE-CE2 3.56Å; M349-Y355 WeakPolarHBondContact O-CD2 3.31Å
350L96.9Very high96.5Very high38 Ų3858.9 Ų58.920%0.19928%0.281CS..THydrogen-bonded Turntrans-59-25.5173.3-171.461.8000113.1F302 V346 F347 L348 L360 V362F302-L350 HydrophobicContact CE1-CB 4.36Å; F302-L350 HydrophobicContact CE1-CD1 4.27Å; F302-L350 HydrophobicContact CZ-CB 4.29Å; V346-L350 PolarHBondContact O-N 2.8Å; F347-L350 HydrophobicContact CD1-CD2 4.38Å; L348-L350 PolarHBondContact O-N 2.88Å; L350-L360 HydrophobicContact CD1-CB 3.94Å; L350-V362 HydrophobicContact CD2-CG2 3.89Å
351K95.8Very high96.6Very high157 Ų15761.8 Ų61.868%0.68329%0.293SS*.THydrogen-bonded Turntrans-83-18.5175.8-64.4169.5-174.71770113.4F347 L348 M349F347-K351 WeakPolarHBondContact O-CG 3.44Å; L348-K351 WeakPolarHBondContact O-CB 3.31Å; L348-K351 PolarHBondContact O-N 3Å; L348-K351 VanDerWaalsContact O-N 3.14Å; M349-K351 PolarHBondContact O-N 2.94Å; M349-K351 VanDerWaalsContact O-N 3.14Å
352K96.1Very high96.6Very high85 Ų8561.9 Ų61.937%0.3729%0.294SS..SBendtrans-58135.1174.8-69.7172.6168.9177.40109.2E299 M349 N354 Y355 K356E299-K352 IonicContact OE1-NZ 2.96Å; E299-K352 PolarHBondContact OE1-NZ 2.73Å; M349-K352 HydrophobicContact CB-CD 4.35Å; M349-K352 HydrophobicContact CG-CD 4.1Å; M349-K352 VanDerWaalsContact O-CB 3.28Å; M349-K352 WeakPolarHBondContact O-CB 3.42Å; M349-K352 PolarHBondContact O-N 2.88Å; K352-N354 PolarHBondContact O-N 3.4Å; K352-N354 VanDerWaalsContact O-N 3.1Å; K352-Y355 HydrophobicContact CB-CD2 4Å; K352-Y355 HydrophobicContact CD-CD2 3.83Å; K352-Y355 HydrophobicContact CD-CE2 3.73Å; K352-Y355 PolarHBondContact O-N 2.82Å; K352-K356 PolarHBondContact O-N 2.96Å
353P94.9Very high96.7Very high106 Ų10663.9 Ų63.969%0.68830%0.302SS*.Hα-helixtrans-53.2-36.9-178.4-2935.4000114.5Y355P353-Y355 VanDerWaalsContact C-N 3.28Å; P353-Y355 PolarHBondContact O-N 2.88Å
354N93.9Very high96.7Very high112 Ų11263.8 Ų63.860%0.59930%0.302SS*.Hα-helixtrans-63.8-28.8-179.5-68.2-7.5000113.8K352 K357K352-N354 PolarHBondContact O-N 3.4Å; K352-N354 VanDerWaalsContact O-N 3.1Å; N354-K357 WeakPolarHBondContact O-CE 3.37Å; N354-K357 WeakPolarHBondContact O-CG 3.25Å
355Y94.9Very high96.7Very high31 Ų3159.3 Ų59.312%0.12229%0.285CS..Hα-helixtrans-104.6-26179.3-55.8-57.1000112.8E299 F302 M349 K352 P353 K357 L358E299-Y355 PolarHBondContact OE1-OH 2.9Å; F302-Y355 HydrophobicContact CB-CD1 3.81Å; F302-Y355 HydrophobicContact CB-CE1 3.59Å; F302-Y355 HydrophobicContact CB-CE2 4.35Å; F302-Y355 HydrophobicContact CB-CG 4.27Å; F302-Y355 AromaticContact CD1-CD1 3.82Å; F302-Y355 HydrophobicContact CD1-CD1 3.82Å; F302-Y355 HydrophobicContact CD1-CD2 4.07Å; F302-Y355 HydrophobicContact CD1-CE1 4.44Å; F302-Y355 AromaticContact CD1-CG 3.6Å; F302-Y355 HydrophobicContact CD1-CG 3.6Å; F302-Y355 HydrophobicContact CE1-CG 4.25Å; F302-Y355 HydrophobicContact CG-CD1 4.16Å; F302-Y355 HydrophobicContact CG-CD2 4.3Å; F302-Y355 HydrophobicContact CG-CE1 4.33Å; F302-Y355 HydrophobicContact CG-CE2 4.49Å; F302-Y355 HydrophobicContact CG-CG 4.14Å; M349-Y355 HydrophobicContact CB-CD2 4.5Å; M349-Y355 HydrophobicContact CE-CD2 4.23Å; M349-Y355 HydrophobicContact CE-CE2 3.56Å; M349-Y355 WeakPolarHBondContact O-CD2 3.31Å; K352-Y355 HydrophobicContact CB-CD2 4Å; K352-Y355 HydrophobicContact CD-CD2 3.83Å; K352-Y355 HydrophobicContact CD-CE2 3.73Å; K352-Y355 PolarHBondContact O-N 2.82Å; P353-Y355 VanDerWaalsContact C-N 3.28Å; P353-Y355 PolarHBondContact O-N 2.88Å; Y355-K357 PolarHBondContact O-N 2.93Å; Y355-L358 HydrophobicContact CD1-CD1 3.91Å; Y355-L358 VanDerWaalsContact O-CB 3.25Å; Y355-L358 WeakPolarHBondContact O-CB 3.36Å; Y355-L358 PolarHBondContact O-N 3.21Å
356K94.9Very high96.6Very high154 Ų15458.4 Ų58.467%0.6728%0.28SS*.Hα-helixtrans-54.2-39.2174-170.8178.2-179.2-177.60112.3K352 L358 E359K352-K356 PolarHBondContact O-N 2.96Å; K356-L358 PolarHBondContact O-N 2.92Å; K356-L358 VanDerWaalsContact O-N 3.16Å; K356-E359 PolarHBondContact O-N 2.57Å
357K94.4Very high96.5Very high145 Ų14558.4 Ų58.463%0.6328%0.28SS*.THydrogen-bonded Turntrans-66.5-7.4175.471.4-175.8-176.7-173.50115.2N354 Y355N354-K357 WeakPolarHBondContact O-CE 3.37Å; N354-K357 WeakPolarHBondContact O-CG 3.25Å; Y355-K357 PolarHBondContact O-N 2.93Å
358L94.7Very high96.3Very high29 Ų2957.6 Ų57.615%0.15228%0.276CS..THydrogen-bonded Turntrans-87.9-14.3177.8-61.3178.6000112.9Y355 K356 L360 R445Y355-L358 HydrophobicContact CD1-CD1 3.91Å; Y355-L358 VanDerWaalsContact O-CB 3.25Å; Y355-L358 WeakPolarHBondContact O-CB 3.36Å; Y355-L358 PolarHBondContact O-N 3.21Å; K356-L358 PolarHBondContact O-N 2.92Å; K356-L358 VanDerWaalsContact O-N 3.16Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 HydrophobicContact CB-CD1 4.23Å; L358-L360 HydrophobicContact CB-CD2 3.92Å; L358-L360 HydrophobicContact CB-CG 3.73Å; L358-L360 HydrophobicContact CD1-CD1 4.14Å; L358-L360 PolarHBondContact O-N 3.34Å; L358-R445 WeakPolarHBondContact O-CD 3.26Å; L358-R445 WeakPolarHBondContact O-CG 3.47Å; L358-R445 PolarHBondContact O-NE 3.14Å
359E95.4Very high96.1Very high114 Ų11453.4 Ų53.453%0.53326%0.255SS..  trans56.743.8179.3-48.7173.8130.100112K356 K446K356-E359 PolarHBondContact O-N 2.57Å; E359-K446 WeakPolarHBondContact OE2-CE 3.3Å; E359-K446 IonicContact OE2-NZ 3.85Å; E359-K446 PolarHBondContact OE2-NZ 2.87Å
360L97.7Very high95.8Very high12 Ų1254.6 Ų54.66%0.06326%0.258CS..EExtended strand (participates in β ladder)trans-79.4130.3-177.6-56.6-177.8000111.5F302 L350 L358 L443 R444 R445 H450F302-L360 HydrophobicContact CD1-CD1 3.8Å; F302-L360 HydrophobicContact CE1-CD1 4.01Å; L350-L360 HydrophobicContact CD1-CB 3.94Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 HydrophobicContact CB-CD1 4.23Å; L358-L360 HydrophobicContact CB-CD2 3.92Å; L358-L360 HydrophobicContact CB-CG 3.73Å; L358-L360 HydrophobicContact CD1-CD1 4.14Å; L358-L360 PolarHBondContact O-N 3.34Å; L360-L443 HydrophobicContact CD1-CB 4.36Å; L360-L443 HydrophobicContact CD1-CD1 3.99Å; L360-R444 WeakPolarHBondContact CA-O 3.47Å; L360-R445 HydrophobicContact CD2-CB 3.7Å; L360-R445 HydrophobicContact CD2-CG 4.07Å; L360-H450 HydrophobicContact CD2-CB 3.99Å
361Q97.9Very high95.4Very high65 Ų6554.6 Ų54.630%0.30426%0.262SS..EExtended strand (participates in β ladder)trans-92.6137.2169-64.5173.3-91.300109Y363 E403 R444Q361-Y363 HydrophobicContact CB-CD2 4.32Å; Q361-Y363 HydrophobicContact CB-CE2 3.57Å; Q361-Y363 PolarHBondContact NE2-OH 2.85Å; Q361-E403 PolarHBondContact NE2-OE1 3.27Å; Q361-R444 PolarHBondContact N-O 2.9Å; Q361-R444 PolarHBondContact O-N 3.4Å
362V98.5Very high95Very high6 Ų648.8 Ų48.84%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-101.4129.4179.3-167.60000109.2V346 F347 L350 V404 I441 L443V346-V362 HydrophobicContact CG1-CG1 4.39Å; V346-V362 HydrophobicContact CG1-CG2 4.49Å; F347-V362 HydrophobicContact CD1-CG2 4.49Å; F347-V362 HydrophobicContact CE1-CB 4.21Å; F347-V362 HydrophobicContact CE1-CG2 3.91Å; F347-V362 HydrophobicContact CZ-CB 4.24Å; F347-V362 HydrophobicContact CZ-CG1 4.25Å; F347-V362 HydrophobicContact CZ-CG2 4.38Å; L350-V362 HydrophobicContact CD2-CG2 3.89Å; V362-V404 HydrophobicContact CB-CG2 4Å; V362-V404 HydrophobicContact CG1-CG2 3.7Å; V362-V404 PolarHBondContact O-N 3.35Å; V362-I441 HydrophobicContact CG1-CG2 3.84Å; V362-L443 HydrophobicContact CB-CD2 4.41Å; V362-L443 HydrophobicContact CG1-CD2 4.25Å; V362-L443 HydrophobicContact CG2-CD2 3.86Å
363Y98.5Very high94.8Very high42 Ų4248.9 Ų48.917%0.16525%0.246CC..EExtended strand (participates in β ladder)trans-123.6151.5174.3-63.8-99.9000110Q361 E401 R402 E403 I442 R444Q361-Y363 HydrophobicContact CB-CD2 4.32Å; Q361-Y363 HydrophobicContact CB-CE2 3.57Å; Q361-Y363 PolarHBondContact NE2-OH 2.85Å; Y363-E401 HydrophobicContact CD1-CB 4.14Å; Y363-R402 CarbonylContact C-O 3.52Å; Y363-R402 WeakPolarHBondContact CA-O 3.23Å; Y363-E403 HydrophobicContact CD1-CB 3.92Å; Y363-E403 HydrophobicContact CE1-CB 3.68Å; Y363-E403 HydrophobicContact CE1-CG 4.13Å; Y363-I442 PolarHBondContact N-O 3.19Å; Y363-I442 PolarHBondContact O-N 3.28Å; Y363-R444 HydrophobicContact CD2-CB 4.21Å; Y363-R444 HydrophobicContact CD2-CG 3.96Å; Y363-R444 HydrophobicContact CE2-CB 3.93Å; Y363-R444 HydrophobicContact CE2-CG 4.03Å
364A98.3Very high94.9Very high1 Ų144 Ų441%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-122.8146.1173.700000111.6R402 V404 L413 F439 Q440A364-R402 PolarHBondContact N-O 2.75Å; A364-R402 PolarHBondContact O-N 2.83Å; A364-V404 HydrophobicContact CB-CG1 4.19Å; A364-V404 HydrophobicContact CB-CG2 4.38Å; A364-L413 HydrophobicContact CB-CD1 3.78Å; A364-F439 HydrophobicContact CB-CE2 4.06Å; A364-F439 HydrophobicContact CB-CZ 4.12Å; A364-Q440 VanDerWaalsContact CA-O 3.26Å; A364-Q440 WeakPolarHBondContact CA-O 3.16Å
365T97.8Very high94.9Very high0 Ų040.4 Ų40.40%019%0.193CC..EExtended strand (participates in β ladder)trans-128.7153.216770.70000109.6L399 E401 F439 Q440 I442T365-L399 HydrophobicContact CG2-CD2 3.82Å; T365-L399 HydrophobicContact CG2-CG 3.94Å; T365-E401 HydrophobicContact CG2-CB 4.37Å; T365-E401 HydrophobicContact CG2-CG 3.61Å; T365-F439 WeakPolarHBondContact O-CA 3.48Å; T365-F439 VanDerWaalsContact O-CD2 3.26Å; T365-F439 WeakPolarHBondContact O-CD2 3.2Å; T365-Q440 PolarHBondContact N-O 2.99Å; T365-Q440 PolarHBondContact O-N 3.12Å; T365-Q440 WeakPolarHBondContact OG1-CB 3.17Å; T365-Q440 WeakPolarHBondContact OG1-CG 3.42Å; T365-Q440 PolarHBondContact OG1-OE1 2.84Å; T365-I442 HydrophobicContact CG2-CD1 3.79Å
366F96.9Very high95Very high0 Ų038.9 Ų38.90%019%0.188CC..EExtended strand (participates in β ladder)trans-145.4121.2171-153.2174.9000109.2Y339 L377 L378 I414 A437 V438 F439Y339-F366 HydrophobicContact CE2-CZ 4.07Å; F366-L377 HydrophobicContact CB-CB 4.47Å; F366-L377 HydrophobicContact CD2-CD1 3.89Å; F366-L377 HydrophobicContact CE2-CD1 4.13Å; F366-L377 HydrophobicContact CG-CD1 4.16Å; F366-L377 WeakPolarHBondContact O-CB 3.46Å; F366-L377 PolarHBondContact O-N 3.3Å; F366-L378 HydrophobicContact CB-CD1 4.12Å; F366-L378 HydrophobicContact CB-CD2 3.8Å; F366-L378 HydrophobicContact CB-CG 3.76Å; F366-I414 HydrophobicContact CE1-CG2 4.41Å; F366-A437 HydrophobicContact CE2-CB 4Å; F366-V438 WeakPolarHBondContact CA-O 3.34Å; F366-V438 WeakPolarHBondContact CD2-O 3.34Å; F366-F439 HydrophobicContact CB-CD2 4.12Å; F366-F439 HydrophobicContact CD1-CD2 4.09Å; F366-F439 HydrophobicContact CD2-CB 3.87Å; F366-F439 HydrophobicContact CD2-CD2 4.29Å; F366-F439 HydrophobicContact CE2-CB 3.89Å; F366-F439 HydrophobicContact CG-CB 4.36Å; F366-F439 AromaticContact CG-CD2 3.93Å; F366-F439 HydrophobicContact CG-CD2 3.93Å; F366-F439 HydrophobicContact CZ-CB 4.47Å
367F95.9Very high95Very high0 Ų031.6 Ų31.60%016%0.156CC..EExtended strand (participates in β ladder)trans-141.7157.6179.262-91.8000111.6I369 V374 F375 L399 V438 Q440 V512F367-I369 HydrophobicContact CD2-CG1 4.35Å; F367-I369 HydrophobicContact CE2-CD1 4.36Å; F367-I369 HydrophobicContact CE2-CG1 4.22Å; F367-V374 HydrophobicContact CB-CG1 4.41Å; F367-V374 HydrophobicContact CD2-CG1 3.59Å; F367-V374 HydrophobicContact CE2-CG1 4.12Å; F367-V374 HydrophobicContact CG-CG1 4.26Å; F367-F375 CarbonylContact C-O 3.41Å; F367-F375 VanDerWaalsContact CA-O 3.27Å; F367-F375 WeakPolarHBondContact CA-O 3.5Å; F367-F375 VanDerWaalsContact CB-O 3.28Å; F367-F375 WeakPolarHBondContact CB-O 3.32Å; F367-L399 HydrophobicContact CB-CD1 4.02Å; F367-L399 HydrophobicContact CD1-CD1 3.7Å; F367-L399 HydrophobicContact CD1-CD2 3.76Å; F367-L399 HydrophobicContact CD1-CG 4.42Å; F367-L399 HydrophobicContact CE1-CD2 3.77Å; F367-L399 HydrophobicContact CG-CD1 4.2Å; F367-V438 HydrophobicContact CD1-CB 4.33Å; F367-V438 HydrophobicContact CD1-CG1 4.49Å; F367-V438 HydrophobicContact CD2-CB 4.04Å; F367-V438 HydrophobicContact CD2-CG2 4.39Å; F367-V438 HydrophobicContact CE1-CB 3.97Å; F367-V438 HydrophobicContact CE1-CG1 3.74Å; F367-V438 HydrophobicContact CE2-CB 3.66Å; F367-V438 HydrophobicContact CE2-CG1 4.05Å; F367-V438 HydrophobicContact CE2-CG2 3.83Å; F367-V438 HydrophobicContact CG-CB 4.38Å; F367-V438 HydrophobicContact CZ-CB 3.63Å; F367-V438 HydrophobicContact CZ-CG1 3.49Å; F367-V438 VanDerWaalsContact CZ-CG1 3.49Å; F367-V438 HydrophobicContact CZ-CG2 4.14Å; F367-V438 PolarHBondContact N-O 2.85Å; F367-V438 PolarHBondContact O-N 3.01Å; F367-Q440 HydrophobicContact CE1-CG 4.36Å; F367-V512 HydrophobicContact CE2-CG1 4.15Å; F367-V512 HydrophobicContact CE2-CG2 4.46Å; F367-V512 HydrophobicContact CZ-CG1 3.83Å
368E94.6Very high95.1Very high1 Ų125.4 Ų25.41%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-113147.8171.271.1-179.1170.400112.1V374 F375 L377 K381 R421 T422 S435 H436E368-V374 WeakPolarHBondContact O-CA 3.23Å; E368-F375 HydrophobicContact CG-CB 4.2Å; E368-F375 HydrophobicContact CG-CD2 4.45Å; E368-F375 PolarHBondContact N-O 3.37Å; E368-F375 PolarHBondContact O-N 2.99Å; E368-L377 HydrophobicContact CB-CD1 4.22Å; E368-L377 HydrophobicContact CB-CD2 4.28Å; E368-L377 HydrophobicContact CB-CG 4.4Å; E368-L377 HydrophobicContact CG-CD2 3.91Å; E368-L377 HydrophobicContact CG-CG 4.45Å; E368-K381 WeakPolarHBondContact OE1-CE 3.38Å; E368-K381 IonicContact OE1-NZ 2.68Å; E368-K381 PolarHBondContact OE1-NZ 3.42Å; E368-R421 VanDerWaalsContact OE2-CG 3.29Å; E368-R421 WeakPolarHBondContact OE2-CG 3.26Å; E368-T422 WeakPolarHBondContact OE1-CB 3.28Å; E368-T422 PolarHBondContact OE1-N 3.18Å; E368-T422 PolarHBondContact OE1-OG1 3.27Å; E368-T422 PolarHBondContact OE2-N 2.87Å; E368-S435 VanDerWaalsContact OE2-CB 3.23Å; E368-S435 WeakPolarHBondContact OE2-CB 3.43Å; E368-S435 PolarHBondContact OE2-OG 2.9Å; E368-H436 CarbonylContact C-O 3.54Å; E368-H436 VanDerWaalsContact CA-O 3.3Å; E368-H436 WeakPolarHBondContact CA-O 3.33Å
369I93.8Very high95.1Very high7 Ų726.4 Ų26.44%0.03614%0.135CC..EExtended strand (participates in β ladder)trans-107.1116.4168.6-47.8-173.7000107.7F367 K373 V374 H436 K508 L509 V512F367-I369 HydrophobicContact CD2-CG1 4.35Å; F367-I369 HydrophobicContact CE2-CD1 4.36Å; F367-I369 HydrophobicContact CE2-CG1 4.22Å; I369-K373 CarbonylContact C-O 3.49Å; I369-K373 WeakPolarHBondContact CA-O 3.24Å; I369-V374 HydrophobicContact CG1-CG2 4.16Å; I369-V374 HydrophobicContact CG2-CG2 4.43Å; I369-H436 HydrophobicContact CB-CB 4.3Å; I369-H436 PolarHBondContact N-O 3.38Å; I369-H436 PolarHBondContact O-N 2.88Å; I369-K508 HydrophobicContact CG2-CB 4.06Å; I369-L509 HydrophobicContact CD1-CB 4.45Å; I369-L509 HydrophobicContact CD1-CD1 4.25Å; I369-V512 HydrophobicContact CD1-CB 4.38Å; I369-V512 HydrophobicContact CD1-CG2 4.19Å
370Y90.8Very high94.8Very high42 Ų4232 Ų3217%0.16515%0.152CC..EExtended strand (participates in β ladder)trans-145.1132.5-170.2171.8-108.8000110.2G372 K373 F375 T422 Q473 E477Y370-G372 VanDerWaalsContact C-N 3.27Å; Y370-G372 PolarHBondContact O-N 3.43Å; Y370-K373 PolarHBondContact N-O 2.86Å; Y370-K373 PolarHBondContact O-N 3.05Å; Y370-F375 AromaticContact CD1-CE2 3.95Å; Y370-F375 HydrophobicContact CD1-CE2 3.95Å; Y370-T422 HydrophobicContact CD2-CG2 4.35Å; Y370-T422 HydrophobicContact CE1-CG2 4.32Å; Y370-T422 HydrophobicContact CE2-CG2 3.93Å; Y370-Q473 PolarHBondContact OH-NE2 2.96Å; Y370-E477 HydrophobicContact CE2-CG 3.84Å; Y370-E477 PolarHBondContact OH-OE1 3Å
371S87.4Confident94.5Very high38 Ų3834.8 Ų34.827%0.26616%0.163SC..THydrogen-bonded Turntrans48.246.7-179.3-177.30000113K373S371-K373 WeakPolarHBondContact O-CD 3.33Å; S371-K373 WeakPolarHBondContact O-CE 3.41Å; S371-K373 WeakPolarHBondContact O-CG 3.26Å; S371-K373 PolarHBondContact O-N 2.95Å; S371-K373 VanDerWaalsContact O-N 3.09Å; S371-K373 PolarHBondContact O-NZ 3.08Å; S371-K373 PolarHBondContact OG-NZ 3.28Å; S371-K373 VanDerWaalsContact OG-NZ 3.11Å
372G87.9Confident94.3Very high34 Ų3434.7 Ų34.735%0.35117%0.167SC..THydrogen-bonded Turntrans66.65.9-178.700000116.1Y370 E480 K508Y370-G372 VanDerWaalsContact C-N 3.27Å; Y370-G372 PolarHBondContact O-N 3.43Å; G372-E480 WeakPolarHBondContact CA-OE2 3.22Å; G372-E480 PolarHBondContact N-OE2 3.38Å; G372-K508 WeakPolarHBondContact O-CG 3.3Å
373K92.4Very high94.2Very high88 Ų8841.1 Ų41.138%0.38319%0.194SC..EExtended strand (participates in β ladder)trans-116.8161.7-176.7-59.9141.3-165.5149.20110.2I369 Y370 S371 F375I369-K373 CarbonylContact C-O 3.49Å; I369-K373 WeakPolarHBondContact CA-O 3.24Å; Y370-K373 PolarHBondContact N-O 2.86Å; Y370-K373 PolarHBondContact O-N 3.05Å; S371-K373 WeakPolarHBondContact O-CD 3.33Å; S371-K373 WeakPolarHBondContact O-CE 3.41Å; S371-K373 WeakPolarHBondContact O-CG 3.26Å; S371-K373 PolarHBondContact O-N 2.95Å; S371-K373 VanDerWaalsContact O-N 3.09Å; S371-K373 PolarHBondContact O-NZ 3.08Å; S371-K373 PolarHBondContact OG-NZ 3.28Å; S371-K373 VanDerWaalsContact OG-NZ 3.11Å; K373-F375 HydrophobicContact CB-CD2 4.45Å; K373-F375 HydrophobicContact CB-CE2 3.57Å; K373-F375 HydrophobicContact CB-CZ 3.65Å; K373-F375 HydrophobicContact CD-CZ 4.04Å; K373-F375 HydrophobicContact CG-CZ 4.43Å
374V95.7Very high94.2Very high3 Ų339.7 Ų39.72%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-116.1136.5178.4-176.60000109.6F367 E368 I369 K383 L384 V386 V396 K508F367-V374 HydrophobicContact CB-CG1 4.41Å; F367-V374 HydrophobicContact CD2-CG1 3.59Å; F367-V374 HydrophobicContact CE2-CG1 4.12Å; F367-V374 HydrophobicContact CG-CG1 4.26Å; E368-V374 WeakPolarHBondContact O-CA 3.23Å; I369-V374 HydrophobicContact CG1-CG2 4.16Å; I369-V374 HydrophobicContact CG2-CG2 4.43Å; V374-K383 WeakPolarHBondContact O-CA 3.45Å; V374-L384 HydrophobicContact CB-CB 4.35Å; V374-L384 HydrophobicContact CG1-CB 4.25Å; V374-L384 HydrophobicContact CG1-CD1 4.32Å; V374-L384 PolarHBondContact O-N 3.17Å; V374-V386 HydrophobicContact CB-CG2 4.32Å; V374-V386 HydrophobicContact CG2-CG2 3.56Å; V374-V396 HydrophobicContact CG1-CG1 4.16Å; V374-K508 HydrophobicContact CG2-CB 4.36Å
375F95.4Very high94Very high36 Ų3647.5 Ų47.516%0.15822%0.219CC..EExtended strand (participates in β ladder)trans-134.8129-176.8-56.1-86.4000111.4F367 E368 Y370 K373 L377 K381 T382 K383F367-F375 CarbonylContact C-O 3.41Å; F367-F375 VanDerWaalsContact CA-O 3.27Å; F367-F375 WeakPolarHBondContact CA-O 3.5Å; F367-F375 VanDerWaalsContact CB-O 3.28Å; F367-F375 WeakPolarHBondContact CB-O 3.32Å; E368-F375 HydrophobicContact CG-CB 4.2Å; E368-F375 HydrophobicContact CG-CD2 4.45Å; E368-F375 PolarHBondContact N-O 3.37Å; E368-F375 PolarHBondContact O-N 2.99Å; Y370-F375 AromaticContact CD1-CE2 3.95Å; Y370-F375 HydrophobicContact CD1-CE2 3.95Å; K373-F375 HydrophobicContact CB-CD2 4.45Å; K373-F375 HydrophobicContact CB-CE2 3.57Å; K373-F375 HydrophobicContact CB-CZ 3.65Å; K373-F375 HydrophobicContact CD-CZ 4.04Å; K373-F375 HydrophobicContact CG-CZ 4.43Å; F375-L377 PolarHBondContact O-N 3.15Å; F375-K381 HydrophobicContact CB-CB 4.29Å; F375-K381 WeakPolarHBondContact CD1-O 3.49Å; F375-T382 WeakPolarHBondContact CA-O 3.21Å; F375-K383 HydrophobicContact CD1-CB 3.9Å; F375-K383 HydrophobicContact CD1-CG 4.3Å; F375-K383 HydrophobicContact CE1-CB 3.86Å; F375-K383 HydrophobicContact CE1-CG 3.97Å
376D96.6Very high93.8Very high0 Ų048 Ų480%022%0.221CC..EExtended strand (participates in β ladder)trans-76.6112.5179.8-169.4-33.2000111.3L378 N379 K381 T382 L384 Q400D376-L378 WeakPolarHBondContact OD1-CA 3.32Å; D376-L378 PolarHBondContact OD1-N 3.04Å; D376-N379 HydrophobicContact CB-CB 3.83Å; D376-N379 CarbonylContact O-C 3.58Å; D376-N379 PolarHBondContact O-N 2.83Å; D376-N379 PolarHBondContact OD1-N 2.99Å; D376-K381 WeakPolarHBondContact O-CA 3.23Å; D376-K381 PolarHBondContact O-N 2.72Å; D376-T382 PolarHBondContact N-O 3.04Å; D376-L384 HydrophobicContact CB-CD1 4Å; D376-L384 HydrophobicContact CB-CD2 4.16Å; D376-L384 HydrophobicContact CB-CG 4.15Å; D376-Q400 WeakPolarHBondContact OD2-CB 3.49Å; D376-Q400 WeakPolarHBondContact OD2-CG 3.41Å; D376-Q400 PolarHBondContact OD2-N 2.93Å
377L94.9Very high93.5Very high0 Ų052.2 Ų52.20%024%0.244CC..G310 helixtrans-75.6-26.8-178.5-61172.9000111.9F366 E368 F375 N379 K381 C420F366-L377 HydrophobicContact CB-CB 4.47Å; F366-L377 HydrophobicContact CD2-CD1 3.89Å; F366-L377 HydrophobicContact CE2-CD1 4.13Å; F366-L377 HydrophobicContact CG-CD1 4.16Å; F366-L377 WeakPolarHBondContact O-CB 3.46Å; F366-L377 PolarHBondContact O-N 3.3Å; E368-L377 HydrophobicContact CB-CD1 4.22Å; E368-L377 HydrophobicContact CB-CD2 4.28Å; E368-L377 HydrophobicContact CB-CG 4.4Å; E368-L377 HydrophobicContact CG-CD2 3.91Å; E368-L377 HydrophobicContact CG-CG 4.45Å; F375-L377 PolarHBondContact O-N 3.15Å; L377-N379 PolarHBondContact O-N 3.06Å; L377-K381 HydrophobicContact CD2-CG 4.36Å; L377-C420 HydrophobicContact CB-CB 4.25Å; L377-C420 HydrophobicContact CD2-CB 4.05Å; L377-C420 PolarHBondContact O-SG 3.15Å; L377-C420 VanDerWaalsContact O-SG 3.39Å
378L95.4Very high93Very high15 Ų1555.3 Ų55.38%0.07926%0.258CS..G310 helixtrans-83-1.2174.9-52.1-174.9000113F366 D376 R402 L413 I416F366-L378 HydrophobicContact CB-CD1 4.12Å; F366-L378 HydrophobicContact CB-CD2 3.8Å; F366-L378 HydrophobicContact CB-CG 3.76Å; D376-L378 WeakPolarHBondContact OD1-CA 3.32Å; D376-L378 PolarHBondContact OD1-N 3.04Å; L378-R402 HydrophobicContact CD1-CG 3.98Å; L378-R402 PolarHBondContact O-NH2 2.68Å; L378-R402 VanDerWaalsContact O-NH2 3.17Å; L378-L413 HydrophobicContact CD1-CD1 4.44Å; L378-L413 HydrophobicContact CD1-CD2 4.28Å; L378-L413 HydrophobicContact CD2-CB 4.11Å; L378-L413 HydrophobicContact CD2-CD2 4.11Å; L378-L413 WeakPolarHBondContact CD2-O 3.48Å; L378-I416 HydrophobicContact CD2-CG2 4.22Å
379N94.7Very high92.5Very high51 Ų5157.9 Ų57.927%0.27327%0.272SS..G310 helixtrans-134.948.7178-160.817.6000112D376 L377 K381 T382 Q400D376-N379 HydrophobicContact CB-CB 3.83Å; D376-N379 CarbonylContact O-C 3.58Å; D376-N379 PolarHBondContact O-N 2.83Å; D376-N379 PolarHBondContact OD1-N 2.99Å; L377-N379 PolarHBondContact O-N 3.06Å; N379-K381 VanDerWaalsContact C-N 3.29Å; N379-K381 PolarHBondContact O-N 3.37Å; N379-K381 VanDerWaalsContact O-N 3.16Å; N379-T382 VanDerWaalsContact O-CB 3.3Å; N379-T382 WeakPolarHBondContact O-CB 3.23Å; N379-T382 PolarHBondContact O-N 3.5Å; N379-T382 PolarHBondContact O-OG1 3.08Å; N379-Q400 HydrophobicContact CB-CG 3.75Å
380R89Confident91.9Very high232 Ų23261.9 Ų61.988%0.87532%0.315SS*.THydrogen-bonded Turntrans53.238.4171.3-56.3-176.8178.8-172.3-0.3114.5T382R380-T382 VanDerWaalsContact C-N 3.29Å; R380-T382 PolarHBondContact O-N 2.78Å
381K91Very high91.4Very high70 Ų7068.1 Ų68.130%0.30434%0.343SS..THydrogen-bonded Turntrans60.933.7-177.2-51.4174.999.1149.90113.4E368 F375 D376 L377 N379 K383 C420 R421 T422E368-K381 WeakPolarHBondContact OE1-CE 3.38Å; E368-K381 IonicContact OE1-NZ 2.68Å; E368-K381 PolarHBondContact OE1-NZ 3.42Å; F375-K381 HydrophobicContact CB-CB 4.29Å; F375-K381 WeakPolarHBondContact CD1-O 3.49Å; D376-K381 WeakPolarHBondContact O-CA 3.23Å; D376-K381 PolarHBondContact O-N 2.72Å; L377-K381 HydrophobicContact CD2-CG 4.36Å; N379-K381 VanDerWaalsContact C-N 3.29Å; N379-K381 PolarHBondContact O-N 3.37Å; N379-K381 VanDerWaalsContact O-N 3.16Å; K381-K383 PolarHBondContact O-N 3.32Å; K381-C420 WeakPolarHBondContact CD-O 3.34Å; K381-C420 WeakPolarHBondContact CE-O 3.22Å; K381-C420 PolarHBondContact NZ-O 3.2Å; K381-R421 VanDerWaalsContact NZ-C 3.31Å; K381-R421 PolarHBondContact NZ-O 2.97Å; K381-T422 VanDerWaalsContact CE-OG1 3.29Å; K381-T422 WeakPolarHBondContact CE-OG1 3.38Å; K381-T422 VanDerWaalsContact NZ-CA 3.32Å; K381-T422 PolarHBondContact NZ-OG1 3.06Å
382T95.6Very high90.9Very high62 Ų6271.9 Ų71.938%0.3836%0.356SS..EExtended strand (participates in β ladder)trans-57.5123.3171-65.80000109.8F375 D376 N379 R380 L384F375-T382 WeakPolarHBondContact CA-O 3.21Å; D376-T382 PolarHBondContact N-O 3.04Å; N379-T382 VanDerWaalsContact O-CB 3.3Å; N379-T382 WeakPolarHBondContact O-CB 3.23Å; N379-T382 PolarHBondContact O-N 3.5Å; N379-T382 PolarHBondContact O-OG1 3.08Å; R380-T382 VanDerWaalsContact C-N 3.29Å; R380-T382 PolarHBondContact O-N 2.78Å; T382-L384 HydrophobicContact CG2-CD2 4.4Å; T382-L384 PolarHBondContact O-N 2.95Å
383K96.4Very high90.5Very high141 Ų14174.8 Ų74.861%0.61336%0.361SS*.EExtended strand (participates in β ladder)trans-70.2122.6-179.1-177.3-172.3172.3-168.50110.6V374 F375 K381V374-K383 WeakPolarHBondContact O-CA 3.45Å; F375-K383 HydrophobicContact CD1-CB 3.9Å; F375-K383 HydrophobicContact CD1-CG 4.3Å; F375-K383 HydrophobicContact CE1-CB 3.86Å; F375-K383 HydrophobicContact CE1-CG 3.97Å; K381-K383 PolarHBondContact O-N 3.32Å
384L96.6Very high90.2Very high13 Ų1371.3 Ų71.37%0.06835%0.347CS..EExtended strand (participates in β ladder)trans-98.9165.9-177.3-55.1-173.1000112.7V374 D376 T382 V396 L399V374-L384 HydrophobicContact CB-CB 4.35Å; V374-L384 HydrophobicContact CG1-CB 4.25Å; V374-L384 HydrophobicContact CG1-CD1 4.32Å; V374-L384 PolarHBondContact O-N 3.17Å; D376-L384 HydrophobicContact CB-CD1 4Å; D376-L384 HydrophobicContact CB-CD2 4.16Å; D376-L384 HydrophobicContact CB-CG 4.15Å; T382-L384 HydrophobicContact CG2-CD2 4.4Å; T382-L384 PolarHBondContact O-N 2.95Å; L384-V396 HydrophobicContact CB-CG1 4.03Å; L384-V396 HydrophobicContact CD1-CG1 3.57Å; L384-V396 HydrophobicContact CG-CG1 4.48Å; L384-L399 HydrophobicContact CD1-CB 3.74Å; L384-L399 HydrophobicContact CD1-CD1 3.7Å; L384-L399 HydrophobicContact CD1-CG 4.3Å
385R94.5Very high89.9Confident165 Ų16574.9 Ų74.962%0.62336%0.364SS*.EExtended strand (participates in β ladder)trans-113.1125172.2-65.7-174.3-67168.1-1110V397R385-V397 HydrophobicContact CB-CB 4.46Å; R385-V397 PolarHBondContact N-O 3.29Å; R385-V397 PolarHBondContact O-N 3.39Å
386V93.2Very high89.8Confident9 Ų974.5 Ų74.56%0.05536%0.364CS..EExtended strand (participates in β ladder)trans-94.5115170.7-177.60000108.3V374 V394 V396 K508 Q511 V512V374-V386 HydrophobicContact CB-CG2 4.32Å; V374-V386 HydrophobicContact CG2-CG2 3.56Å; V386-V394 HydrophobicContact CG1-CG1 3.43Å; V386-V394 VanDerWaalsContact CG1-CG1 3.43Å; V386-V396 HydrophobicContact CG2-CG1 4.36Å; V386-V396 HydrophobicContact CG2-CG2 4.34Å; V386-K508 HydrophobicContact CB-CD 4.01Å; V386-K508 HydrophobicContact CG1-CD 4.45Å; V386-K508 HydrophobicContact CG2-CD 4.29Å; V386-K508 PolarHBondContact O-NZ 3.33Å; V386-Q511 HydrophobicContact CG1-CB 4.21Å; V386-V512 HydrophobicContact CG1-CG2 4.35Å; V386-V512 HydrophobicContact CG2-CG2 4.2Å
387L90.6Very high89.7Confident89 Ų8977.5 Ų77.547%0.46638%0.382SS..EExtended strand (participates in β ladder)trans-119.9169.3178.5-57.8-176.1000110.2V394 Q395 V397L387-V394 WeakPolarHBondContact O-CA 3.33Å; L387-Q395 PolarHBondContact N-O 2.98Å; L387-Q395 PolarHBondContact O-N 3Å; L387-V397 HydrophobicContact CB-CG2 4.41Å; L387-V397 HydrophobicContact CD1-CG2 3.93Å; L387-V397 HydrophobicContact CG-CG2 4.13Å
388E86.5Confident89.6Confident66 Ų6679.7 Ų79.731%0.30841%0.405SS..EExtended strand (participates in β ladder)trans-120.6134175.4-165.1-178.9132.900107.6Q393 V394 R505E388-Q393 WeakPolarHBondContact CA-O 3.13Å; E388-V394 HydrophobicContact CG-CG2 4.46Å; E388-R505 IonicContact OE1-CZ 2.68Å; E388-R505 IonicContact OE1-NH2 3.75Å; E388-R505 PolarHBondContact OE1-NH2 2.94Å; E388-R505 IonicContact OE2-CZ 2.79Å; E388-R505 VanDerWaalsContact OE2-CZ 3.27Å; E388-R505 IonicContact OE2-NE 2.71Å; E388-R505 PolarHBondContact OE2-NE 2.81Å; E388-R505 IonicContact OE2-NH2 3.79Å; E388-R505 PolarHBondContact OE2-NH2 3.13Å
389D84.8Confident89.6Confident55 Ų5580.4 Ų80.429%0.29441%0.409SS..  trans-93.3176.8-177.271.829.8000113.6K391 Q392 Q393 Q395D389-K391 PolarHBondContact O-N 2.68Å; D389-K391 WeakPolarHBondContact OD1-CA 3.45Å; D389-K391 WeakPolarHBondContact OD1-CB 3.37Å; D389-K391 PolarHBondContact OD1-N 3.11Å; D389-Q392 WeakPolarHBondContact O-CA 3.25Å; D389-Q392 PolarHBondContact O-N 3.29Å; D389-Q392 PolarHBondContact OD1-N 2.96Å; D389-Q393 PolarHBondContact N-O 2.77Å; D389-Q393 PolarHBondContact OD1-N 2.92Å; D389-Q395 HydrophobicContact CB-CG 4.3Å; D389-Q395 PolarHBondContact OD2-NE2 3.06Å
390G81.4Confident89.7Confident91 Ų9181.1 Ų81.194%0.93841%0.41SS*.THydrogen-bonded Turntrans-65.3-4.3-179.600000115.4
391K79.9Confident90Very high173 Ų17373.4 Ų73.475%0.75238%0.384SS*.THydrogen-bonded Turntrans-105.813.1170.4-56.9-178.1-178.9-1780111.7D389 Q393D389-K391 PolarHBondContact O-N 2.68Å; D389-K391 WeakPolarHBondContact OD1-CA 3.45Å; D389-K391 WeakPolarHBondContact OD1-CB 3.37Å; D389-K391 PolarHBondContact OD1-N 3.11Å; K391-Q393 HydrophobicContact CB-CG 4.39Å; K391-Q393 PolarHBondContact O-N 2.75Å
392Q76.1Confident90.3Very high116 Ų11674.2 Ų74.254%0.54239%0.385SS..SBendtrans5919.8-171.4-47.3-179.614.200114.3D389 R514D389-Q392 WeakPolarHBondContact O-CA 3.25Å; D389-Q392 PolarHBondContact O-N 3.29Å; D389-Q392 PolarHBondContact OD1-N 2.96Å; Q392-R514 PolarHBondContact O-NH1 2.83Å
393Q80Confident90.4Very high95 Ų9575.1 Ų75.144%0.44439%0.385SS..  trans-83.7141.7176.8-64.2-172.7-13.200110.5E388 D389 K391E388-Q393 WeakPolarHBondContact CA-O 3.13Å; D389-Q393 PolarHBondContact N-O 2.77Å; D389-Q393 PolarHBondContact OD1-N 2.92Å; K391-Q393 HydrophobicContact CB-CG 4.39Å; K391-Q393 PolarHBondContact O-N 2.75Å
394V86.9Confident90.5Very high16 Ų1668.7 Ų68.710%0.09736%0.358CS..EExtended strand (participates in β ladder)trans-91.4113.8-175.4-179.50000110.6V386 L387 E388 Q511 R514V386-V394 HydrophobicContact CG1-CG1 3.43Å; V386-V394 VanDerWaalsContact CG1-CG1 3.43Å; L387-V394 WeakPolarHBondContact O-CA 3.33Å; E388-V394 HydrophobicContact CG-CG2 4.46Å; V394-Q511 HydrophobicContact CG1-CB 4.33Å; V394-Q511 WeakPolarHBondContact CG1-O 3.25Å; V394-Q511 WeakPolarHBondContact CG2-O 3.28Å; V394-R514 HydrophobicContact CG2-CB 4.44Å
395Q88.3Confident90.5Very high78 Ų7875.2 Ų75.236%0.36439%0.385SS..EExtended strand (participates in β ladder)trans-107.5126.2-173.9-52.8-61.5-10.400111L387 D389 V397L387-Q395 PolarHBondContact N-O 2.98Å; L387-Q395 PolarHBondContact O-N 3Å; D389-Q395 HydrophobicContact CB-CG 4.3Å; D389-Q395 PolarHBondContact OD2-NE2 3.06Å; Q395-V397 PolarHBondContact O-N 3.24Å
396V93.3Very high90.6Very high28 Ų2869.3 Ų69.317%0.1737%0.369CS..EExtended strand (participates in β ladder)trans-92.287.5174.7-168.70000109V374 L384 V386 G398 L399 V512V374-V396 HydrophobicContact CG1-CG1 4.16Å; L384-V396 HydrophobicContact CB-CG1 4.03Å; L384-V396 HydrophobicContact CD1-CG1 3.57Å; L384-V396 HydrophobicContact CG-CG1 4.48Å; V386-V396 HydrophobicContact CG2-CG1 4.36Å; V386-V396 HydrophobicContact CG2-CG2 4.34Å; V396-G398 PolarHBondContact O-N 3.16Å; V396-L399 HydrophobicContact CB-CB 4.32Å; V396-L399 HydrophobicContact CB-CD2 4.24Å; V396-L399 HydrophobicContact CG1-CB 4.2Å; V396-L399 HydrophobicContact CG1-CD2 4.42Å; V396-L399 WeakPolarHBondContact O-CB 3.42Å; V396-L399 PolarHBondContact O-N 2.91Å; V396-V512 HydrophobicContact CG2-CG2 4.19Å
397V93.8Very high90.8Very high62 Ų6270.4 Ų70.438%0.37638%0.376SS..EExtended strand (participates in β ladder)trans-67120.4-172.1-1760000111.1R385 L387 Q395R385-V397 HydrophobicContact CB-CB 4.46Å; R385-V397 PolarHBondContact N-O 3.29Å; R385-V397 PolarHBondContact O-N 3.39Å; L387-V397 HydrophobicContact CB-CG2 4.41Å; L387-V397 HydrophobicContact CD1-CG2 3.93Å; L387-V397 HydrophobicContact CG-CG2 4.13Å; Q395-V397 PolarHBondContact O-N 3.24Å
398G94.1Very high91Very high47 Ų4771.3 Ų71.349%0.48538%0.377SS..THydrogen-bonded Turntrans101-6.1177.900000115.3V396 Q400V396-G398 PolarHBondContact O-N 3.16Å; G398-Q400 PolarHBondContact O-N 3.43Å
399L96.1Very high91.5Very high29 Ų2970.2 Ų70.215%0.15237%0.374CS..  trans-59.7130.1179.2-175.360.2000111.6T365 F367 L384 V396 E401T365-L399 HydrophobicContact CG2-CD2 3.82Å; T365-L399 HydrophobicContact CG2-CG 3.94Å; F367-L399 HydrophobicContact CB-CD1 4.02Å; F367-L399 HydrophobicContact CD1-CD1 3.7Å; F367-L399 HydrophobicContact CD1-CD2 3.76Å; F367-L399 HydrophobicContact CD1-CG 4.42Å; F367-L399 HydrophobicContact CE1-CD2 3.77Å; F367-L399 HydrophobicContact CG-CD1 4.2Å; L384-L399 HydrophobicContact CD1-CB 3.74Å; L384-L399 HydrophobicContact CD1-CD1 3.7Å; L384-L399 HydrophobicContact CD1-CG 4.3Å; V396-L399 HydrophobicContact CB-CB 4.32Å; V396-L399 HydrophobicContact CB-CD2 4.24Å; V396-L399 HydrophobicContact CG1-CB 4.2Å; V396-L399 HydrophobicContact CG1-CD2 4.42Å; V396-L399 WeakPolarHBondContact O-CB 3.42Å; V396-L399 PolarHBondContact O-N 2.91Å; L399-E401 PolarHBondContact O-N 3.24Å
400Q94.9Very high92.1Very high66 Ų6667.8 Ų67.831%0.30836%0.361SS..  trans-81.1108.6177.6-67-65.1-78.800111.8D376 N379 G398D376-Q400 WeakPolarHBondContact OD2-CB 3.49Å; D376-Q400 WeakPolarHBondContact OD2-CG 3.41Å; D376-Q400 PolarHBondContact OD2-N 2.93Å; N379-Q400 HydrophobicContact CB-CG 3.75Å; G398-Q400 PolarHBondContact O-N 3.43Å
401E96.4Very high92.7Very high70 Ų7065.3 Ų65.333%0.32733%0.326SS..PPolyproline II helixtrans-80.2118.9163.1-68.6-175.3-156.700109.9Y363 T365 L399 I442 R444Y363-E401 HydrophobicContact CD1-CB 4.14Å; T365-E401 HydrophobicContact CG2-CB 4.37Å; T365-E401 HydrophobicContact CG2-CG 3.61Å; L399-E401 PolarHBondContact O-N 3.24Å; E401-I442 HydrophobicContact CG-CD1 3.92Å; E401-R444 IonicContact OE1-CZ 3.22Å; E401-R444 IonicContact OE1-NE 2.72Å; E401-R444 IonicContact OE1-NH2 2.92Å; E401-R444 PolarHBondContact OE1-NH2 2.94Å; E401-R444 IonicContact OE2-CZ 2.69Å; E401-R444 IonicContact OE2-NE 2.72Å; E401-R444 PolarHBondContact OE2-NE 3.01Å; E401-R444 IonicContact OE2-NH2 3.76Å; E401-R444 PolarHBondContact OE2-NH2 3.42Å
402R97.7Very high93.4Very high88 Ų8862.3 Ų62.333%0.33231%0.313SS..EExtended strand (participates in β ladder)trans-101.3123.4175.3-60.2-61.3-172.1-146.4-5.4109.5Y363 A364 L378 L413Y363-R402 CarbonylContact C-O 3.52Å; Y363-R402 WeakPolarHBondContact CA-O 3.23Å; A364-R402 PolarHBondContact N-O 2.75Å; A364-R402 PolarHBondContact O-N 2.83Å; L378-R402 HydrophobicContact CD1-CG 3.98Å; L378-R402 PolarHBondContact O-NH2 2.68Å; L378-R402 VanDerWaalsContact O-NH2 3.17Å; R402-L413 HydrophobicContact CB-CD1 3.78Å; R402-L413 HydrophobicContact CB-CD2 4.38Å; R402-L413 HydrophobicContact CG-CD1 4.3Å; R402-L413 HydrophobicContact CG-CD2 4.12Å
403E98Very high94.4Very high81 Ų8157.9 Ų57.938%0.37929%0.293SS..EExtended strand (participates in β ladder)trans-66.8134172.1-167.8-179-129.900109.4Q361 Y363 K405Q361-E403 PolarHBondContact NE2-OE1 3.27Å; Y363-E403 HydrophobicContact CD1-CB 3.92Å; Y363-E403 HydrophobicContact CE1-CB 3.68Å; Y363-E403 HydrophobicContact CE1-CG 4.13Å; E403-K405 VanDerWaalsContact CD-CE 3.45Å; E403-K405 WeakPolarHBondContact OE2-CE 3.4Å; E403-K405 IonicContact OE2-NZ 2.7Å; E403-K405 PolarHBondContact OE2-NZ 2.99Å
404V98.1Very high95Very high5 Ų553.4 Ų53.43%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-128.1139.5-178.7-71.60000110.2F347 V362 A364 D409 V410 L413F347-V404 HydrophobicContact CZ-CB 4.31Å; F347-V404 HydrophobicContact CZ-CG2 4.03Å; V362-V404 HydrophobicContact CB-CG2 4Å; V362-V404 HydrophobicContact CG1-CG2 3.7Å; V362-V404 PolarHBondContact O-N 3.35Å; A364-V404 HydrophobicContact CB-CG1 4.19Å; A364-V404 HydrophobicContact CB-CG2 4.38Å; V404-D409 HydrophobicContact CB-CB 4.04Å; V404-D409 HydrophobicContact CG1-CB 3.92Å; V404-V410 HydrophobicContact CB-CG2 3.99Å; V404-V410 HydrophobicContact CG1-CG2 4.05Å; V404-V410 HydrophobicContact CG2-CG2 3.84Å; V404-L413 HydrophobicContact CG1-CD1 3.52Å
405K96.8Very high95.1Very high150 Ų15056.5 Ų56.565%0.65229%0.288SS*.  trans-120.9-14.1-170.9-68.7172.2-176.3163.90113.5E403 D409E403-K405 VanDerWaalsContact CD-CE 3.45Å; E403-K405 WeakPolarHBondContact OE2-CE 3.4Å; E403-K405 IonicContact OE2-NZ 2.7Å; E403-K405 PolarHBondContact OE2-NZ 2.99Å; K405-D409 PolarHBondContact N-OD2 2.87Å
406C96.6Very high95.2Very high42 Ų4256.6 Ų56.628%0.28429%0.29SS..SBendtrans-146.3171.4175.364.10000111.5F347 E408 D409F347-C406 VanDerWaalsContact CE2-C 3.41Å; F347-C406 VanDerWaalsContact CE2-O 3.25Å; F347-C406 WeakPolarHBondContact CE2-O 3.43Å; C406-E408 WeakPolarHBondContact CB-OE2 3.46Å; C406-E408 PolarHBondContact O-N 3.14Å; C406-E408 PolarHBondContact SG-OE2 2.98Å; C406-D409 PolarHBondContact N-OD2 3.41Å; C406-D409 PolarHBondContact O-N 3.38Å; C406-D409 PolarHBondContact SG-OD2 3.39Å
407V95.9Very high95.1Very high31 Ų3155.2 Ų55.219%0.18828%0.282CS..Hα-helixtrans-66-34.4-179.5-174.30000110.2R344 F347 D409 V410 L411R344-V407 HydrophobicContact CB-CG2 4.29Å; F347-V407 HydrophobicContact CB-CG2 4.45Å; F347-V407 HydrophobicContact CD2-CG2 3.95Å; V407-D409 VanDerWaalsContact C-N 3.27Å; V407-D409 PolarHBondContact O-N 3.29Å; V407-V410 WeakPolarHBondContact O-CB 3.44Å; V407-V410 PolarHBondContact O-N 2.6Å; V407-L411 HydrophobicContact CG1-CD1 4.46Å; V407-L411 WeakPolarHBondContact O-CG 3.44Å; V407-L411 PolarHBondContact O-N 3.03Å
408E96.3Very high94.7Very high108 Ų10852.9 Ų52.951%0.50527%0.267SS..Hα-helixtrans-65.4-29-179.9-59.370.1-159.900111.5C406 K412C406-E408 WeakPolarHBondContact CB-OE2 3.46Å; C406-E408 PolarHBondContact O-N 3.14Å; C406-E408 PolarHBondContact SG-OE2 2.98Å; E408-K412 VanDerWaalsContact O-CD 3.32Å; E408-K412 WeakPolarHBondContact O-CD 3.37Å; E408-K412 WeakPolarHBondContact O-CE 3.24Å; E408-K412 WeakPolarHBondContact O-CG 3.44Å; E408-K412 PolarHBondContact O-N 3.2Å
409D97.3Very high94.1Very high44 Ų4455.1 Ų55.124%0.23528%0.276CS..Hα-helixtrans-70.7-39.8170.9-61.2-32.6000111.8V404 K405 C406 V407 K412 L413V404-D409 HydrophobicContact CB-CB 4.04Å; V404-D409 HydrophobicContact CG1-CB 3.92Å; K405-D409 PolarHBondContact N-OD2 2.87Å; C406-D409 PolarHBondContact N-OD2 3.41Å; C406-D409 PolarHBondContact O-N 3.38Å; C406-D409 PolarHBondContact SG-OD2 3.39Å; V407-D409 VanDerWaalsContact C-N 3.27Å; V407-D409 PolarHBondContact O-N 3.29Å; D409-K412 PolarHBondContact O-N 2.86Å; D409-K412 IonicContact OD1-NZ 2.81Å; D409-K412 PolarHBondContact OD1-NZ 2.8Å; D409-L413 WeakPolarHBondContact O-CG 3.48Å; D409-L413 PolarHBondContact O-N 2.94Å
410V96.4Very high93.6Very high3 Ų355.3 Ų55.32%0.01828%0.279CS..Hα-helixtrans-66.2-42.1177.1170.80000111A343 F347 V404 V407 K412 L413 I414 F439A343-V410 HydrophobicContact CB-CB 4.08Å; A343-V410 HydrophobicContact CB-CG1 3.67Å; A343-V410 HydrophobicContact CB-CG2 4.16Å; F347-V410 HydrophobicContact CE2-CG2 4.08Å; V404-V410 HydrophobicContact CB-CG2 3.99Å; V404-V410 HydrophobicContact CG1-CG2 4.05Å; V404-V410 HydrophobicContact CG2-CG2 3.84Å; V407-V410 WeakPolarHBondContact O-CB 3.44Å; V407-V410 PolarHBondContact O-N 2.6Å; V410-K412 PolarHBondContact O-N 3.32Å; V410-L413 PolarHBondContact O-N 3.38Å; V410-L413 VanDerWaalsContact O-N 3.12Å; V410-I414 HydrophobicContact CG1-CD1 3.7Å; V410-I414 HydrophobicContact CG1-CG1 4.29Å; V410-I414 WeakPolarHBondContact O-CG1 3.44Å; V410-I414 PolarHBondContact O-N 3.16Å; V410-F439 HydrophobicContact CG1-CE1 4.25Å; V410-F439 HydrophobicContact CG1-CE2 4.43Å; V410-F439 HydrophobicContact CG1-CZ 3.6Å
411L94.4Very high93.1Very high39 Ų3952.4 Ų52.420%0.20427%0.265CS..Hα-helixtrans-56.6-49175.3-70.1172000111.7C334 A340 V407 L413 I414 D415C334-L411 HydrophobicContact CB-CD2 4.17Å; A340-L411 HydrophobicContact CB-CD2 3.67Å; V407-L411 HydrophobicContact CG1-CD1 4.46Å; V407-L411 WeakPolarHBondContact O-CG 3.44Å; V407-L411 PolarHBondContact O-N 3.03Å; L411-L413 VanDerWaalsContact C-N 3.26Å; L411-L413 PolarHBondContact O-N 3.26Å; L411-I414 WeakPolarHBondContact O-CB 3.27Å; L411-I414 PolarHBondContact O-N 3.36Å; L411-D415 PolarHBondContact O-N 2.86Å
412K95Very high91.6Very high111 Ų11150.3 Ų50.348%0.48326%0.257SS..Hα-helixtrans-55.7-39.5175.5-63.2158.5-152.8154.80112.4E408 D409 V410 I416E408-K412 VanDerWaalsContact O-CD 3.32Å; E408-K412 WeakPolarHBondContact O-CD 3.37Å; E408-K412 WeakPolarHBondContact O-CE 3.24Å; E408-K412 WeakPolarHBondContact O-CG 3.44Å; E408-K412 PolarHBondContact O-N 3.2Å; D409-K412 PolarHBondContact O-N 2.86Å; D409-K412 IonicContact OD1-NZ 2.81Å; D409-K412 PolarHBondContact OD1-NZ 2.8Å; V410-K412 PolarHBondContact O-N 3.32Å; K412-I416 WeakPolarHBondContact O-CB 3.39Å; K412-I416 WeakPolarHBondContact O-CD1 3.21Å; K412-I416 WeakPolarHBondContact O-CG1 3.47Å; K412-I416 PolarHBondContact O-N 2.88Å
413L95.8Very high89.7Confident22 Ų2249.4 Ų49.412%0.11526%0.264CS..Hα-helixtrans-71.9-33.8178-65.7178.6000112.6A364 L378 R402 V404 D409 V410 L411 I416 G417A364-L413 HydrophobicContact CB-CD1 3.78Å; L378-L413 HydrophobicContact CD1-CD1 4.44Å; L378-L413 HydrophobicContact CD1-CD2 4.28Å; L378-L413 HydrophobicContact CD2-CB 4.11Å; L378-L413 HydrophobicContact CD2-CD2 4.11Å; L378-L413 WeakPolarHBondContact CD2-O 3.48Å; R402-L413 HydrophobicContact CB-CD1 3.78Å; R402-L413 HydrophobicContact CB-CD2 4.38Å; R402-L413 HydrophobicContact CG-CD1 4.3Å; R402-L413 HydrophobicContact CG-CD2 4.12Å; V404-L413 HydrophobicContact CG1-CD1 3.52Å; D409-L413 WeakPolarHBondContact O-CG 3.48Å; D409-L413 PolarHBondContact O-N 2.94Å; V410-L413 PolarHBondContact O-N 3.38Å; V410-L413 VanDerWaalsContact O-N 3.12Å; L411-L413 VanDerWaalsContact C-N 3.26Å; L411-L413 PolarHBondContact O-N 3.26Å; L413-I416 HydrophobicContact CD2-CD1 4.46Å; L413-G417 PolarHBondContact O-N 2.97Å
414I92.4Very high87.3Confident1 Ų146.8 Ų46.81%0.00526%0.259CS..Hα-helixtrans-65.8-46.5172.5-65.6161000109.8C334 Y339 F366 V410 L411 G417 N418 F439C334-I414 HydrophobicContact CB-CG2 3.95Å; Y339-I414 HydrophobicContact CD2-CG2 4.23Å; F366-I414 HydrophobicContact CE1-CG2 4.41Å; V410-I414 HydrophobicContact CG1-CD1 3.7Å; V410-I414 HydrophobicContact CG1-CG1 4.29Å; V410-I414 WeakPolarHBondContact O-CG1 3.44Å; V410-I414 PolarHBondContact O-N 3.16Å; L411-I414 WeakPolarHBondContact O-CB 3.27Å; L411-I414 PolarHBondContact O-N 3.36Å; I414-G417 PolarHBondContact O-N 3.18Å; I414-N418 WeakPolarHBondContact O-CB 3.28Å; I414-N418 PolarHBondContact O-N 2.97Å; I414-F439 HydrophobicContact CG1-CD2 4.39Å; I414-F439 HydrophobicContact CG1-CE2 4.13Å; I414-F439 HydrophobicContact CG1-CZ 4.39Å
415D89.8Confident84.5Confident81 Ų8155.7 Ų55.743%0.43330%0.3SS..Hα-helixtrans-61.3-46177.8-64.4-31.3000111.9C334 L411 G417 N418 S419C334-D415 PolarHBondContact SG-OD1 3.27Å; L411-D415 PolarHBondContact O-N 2.86Å; D415-G417 PolarHBondContact O-N 2.69Å; D415-N418 PolarHBondContact O-N 3.49Å; D415-S419 WeakPolarHBondContact O-CB 3.35Å; D415-S419 PolarHBondContact O-N 2.93Å; D415-S419 PolarHBondContact O-OG 3.23Å
416I90.8Very high81.7Confident80 Ų8051.5 Ų51.541%0.4129%0.287SS..Hα-helixtrans-56.2-51.1172.4-72.7163.7000110L378 K412 L413 N418 S419 C420L378-I416 HydrophobicContact CD2-CG2 4.22Å; K412-I416 WeakPolarHBondContact O-CB 3.39Å; K412-I416 WeakPolarHBondContact O-CD1 3.21Å; K412-I416 WeakPolarHBondContact O-CG1 3.47Å; K412-I416 PolarHBondContact O-N 2.88Å; L413-I416 HydrophobicContact CD2-CD1 4.46Å; I416-N418 PolarHBondContact O-N 3Å; I416-S419 PolarHBondContact O-N 2.99Å; I416-S419 PolarHBondContact O-OG 3.33Å; I416-C420 WeakPolarHBondContact O-CB 3.45Å; I416-C420 PolarHBondContact O-N 2.84Å
417G89.9Confident78.9Confident0 Ų054.7 Ų54.70%031%0.31CS..Hα-helixtrans-65.8-41.1-176.300000113.6L413 I414 D415 C420 R421L413-G417 PolarHBondContact O-N 2.97Å; I414-G417 PolarHBondContact O-N 3.18Å; D415-G417 PolarHBondContact O-N 2.69Å; G417-C420 PolarHBondContact O-N 2.81Å; G417-R421 PolarHBondContact O-N 2.87Å
418N85.2Confident76.1Confident12 Ų1257 Ų576%0.06433%0.333CS..Hα-helixtrans-63.1-44.3175.3-77.6-17.3000111.3Q332 I414 D415 I416 C420 R421 H431Q332-N418 PolarHBondContact OE1-ND2 2.96Å; I414-N418 WeakPolarHBondContact O-CB 3.28Å; I414-N418 PolarHBondContact O-N 2.97Å; D415-N418 PolarHBondContact O-N 3.49Å; I416-N418 PolarHBondContact O-N 3Å; N418-C420 VanDerWaalsContact C-N 3.27Å; N418-C420 PolarHBondContact O-N 2.88Å; N418-R421 WeakPolarHBondContact O-CB 3.46Å; N418-R421 PolarHBondContact O-N 2.67Å; N418-H431 PolarHBondContact O-CE1 3.4Å
419S82.9Confident73.8Confident95 Ų9556.3 Ų56.366%0.66433%0.333SS*.Hα-helixtrans-65.9-27.3175.773.40000113.6D415 I416D415-S419 WeakPolarHBondContact O-CB 3.35Å; D415-S419 PolarHBondContact O-N 2.93Å; D415-S419 PolarHBondContact O-OG 3.23Å; I416-S419 PolarHBondContact O-N 2.99Å; I416-S419 PolarHBondContact O-OG 3.33Å
420C85.2Confident71.7Confident33 Ų3355.9 Ų55.922%0.22334%0.335CS..Hα-helixtrans-83-18.5174.4-81.10000114.2L377 K381 I416 G417 N418L377-C420 HydrophobicContact CB-CB 4.25Å; L377-C420 HydrophobicContact CD2-CB 4.05Å; L377-C420 PolarHBondContact O-SG 3.15Å; L377-C420 VanDerWaalsContact O-SG 3.39Å; K381-C420 WeakPolarHBondContact CD-O 3.34Å; K381-C420 WeakPolarHBondContact CE-O 3.22Å; K381-C420 PolarHBondContact NZ-O 3.2Å; I416-C420 WeakPolarHBondContact O-CB 3.45Å; I416-C420 PolarHBondContact O-N 2.84Å; G417-C420 PolarHBondContact O-N 2.81Å; N418-C420 VanDerWaalsContact C-N 3.27Å; N418-C420 PolarHBondContact O-N 2.88Å
421R84.3Confident69.7Low5 Ų559.7 Ų59.72%0.01935%0.352CS..SBendtrans-60.8156.2-172.1-164.5178177.9175-1.6112.3E368 K381 G417 N418 S423 S432 S435 A437 D457E368-R421 VanDerWaalsContact OE2-CG 3.29Å; E368-R421 WeakPolarHBondContact OE2-CG 3.26Å; K381-R421 VanDerWaalsContact NZ-C 3.31Å; K381-R421 PolarHBondContact NZ-O 2.97Å; G417-R421 PolarHBondContact O-N 2.87Å; N418-R421 WeakPolarHBondContact O-CB 3.46Å; N418-R421 PolarHBondContact O-N 2.67Å; R421-S423 PolarHBondContact O-N 3.36Å; R421-S432 VanDerWaalsContact CZ-CB 3.49Å; R421-S432 PolarHBondContact NH2-O 2.89Å; R421-S432 VanDerWaalsContact NH2-O 3.16Å; R421-S435 PolarHBondContact NE-OG 3.49Å; R421-S435 PolarHBondContact NH2-O 3.09Å; R421-A437 VanDerWaalsContact CZ-CB 3.41Å; R421-D457 IonicContact CZ-OD2 3.94Å; R421-D457 VanDerWaalsContact CZ-OD2 3.26Å; R421-D457 IonicContact NH1-OD2 2.75Å; R421-D457 PolarHBondContact NH1-OD2 2.82Å; R421-D457 IonicContact NH2-OD2 3.12Å; R421-D457 PolarHBondContact NH2-OD2 3.04Å
422T65.1Low68.1Low26 Ų2658.9 Ų58.916%0.1635%0.35CS..  trans-73.389-179.9-65.60000112.7E368 Y370 K381 G424E368-T422 WeakPolarHBondContact OE1-CB 3.28Å; E368-T422 PolarHBondContact OE1-N 3.18Å; E368-T422 PolarHBondContact OE1-OG1 3.27Å; E368-T422 PolarHBondContact OE2-N 2.87Å; Y370-T422 HydrophobicContact CD2-CG2 4.35Å; Y370-T422 HydrophobicContact CE1-CG2 4.32Å; Y370-T422 HydrophobicContact CE2-CG2 3.93Å; K381-T422 VanDerWaalsContact CE-OG1 3.29Å; K381-T422 WeakPolarHBondContact CE-OG1 3.38Å; K381-T422 VanDerWaalsContact NZ-CA 3.32Å; K381-T422 PolarHBondContact NZ-OG1 3.06Å; T422-G424 PolarHBondContact O-N 3.39Å
423S58.2Low66.8Low68 Ų6854 Ų5448%0.47633%0.33SS..  trans-86.674.5169.756.50000111.2R421R421-S423 PolarHBondContact O-N 3.36Å
424G46.3Very low66Low26 Ų2655.1 Ų55.127%0.26833%0.333SS..  trans-65.6129175.900000111.8T422 T426T422-G424 PolarHBondContact O-N 3.39Å; G424-T426 PolarHBondContact O-N 3.01Å
425Q39.8Very low65.8Low192 Ų19255.1 Ų55.190%0.89733%0.333SS*.  trans-70.3103.9-178.7-76-172.5-13.500111.9
426T38.1Very low65.9Low62 Ų6251.5 Ų51.538%0.3831%0.313SS..  trans-161.9131.8150.6-1.70000110.7G424 R434G424-T426 PolarHBondContact O-N 3.01Å; T426-R434 PolarHBondContact OG1-NH2 3.08Å
427S37.4Very low66.1Low110 Ų11047.7 Ų47.777%0.76929%0.294SS*.SBendtrans39.594.5158.9-550000119.1N429S427-N429 VanDerWaalsContact C-N 3.28Å; S427-N429 PolarHBondContact O-N 3.37Å
428A38.1Very low66.3Low80 Ų8047.7 Ų47.766%0.66129%0.294SS*.SBendtrans61.9-31.3155.600000121
429N47.8Very low66.9Low93 Ų9347.1 Ų47.150%0.49729%0.291SS..  trans-124.943.3-172.2-68.6-22000112.4T315 S427 S433T315-N429 HydrophobicContact CG2-CB 3.65Å; S427-N429 VanDerWaalsContact C-N 3.28Å; S427-N429 PolarHBondContact O-N 3.37Å; N429-S433 PolarHBondContact O-OG 3.01Å; N429-S433 VanDerWaalsContact O-OG 3.07Å
430A52.7Low67.6Low35 Ų3543.2 Ų43.229%0.28926%0.262SS..THydrogen-bonded Turntrans-98.63.6-152.300000118.1
431H54.8Low68.2Low82 Ų8241.8 Ų41.838%0.3825%0.252SS..THydrogen-bonded Turntrans-98-12.2-166.2-149.6-77.1000116.3N418N418-H431 PolarHBondContact O-CE1 3.4Å
432S60.5Low68.9Low22 Ų2241.6 Ų41.615%0.15425%0.252CS..THydrogen-bonded Turntrans-153.4-12.4-172.556.40000115.7T320 R421 R434T320-S432 WeakPolarHBondContact OG1-CB 3.4Å; T320-S432 PolarHBondContact OG1-OG 3.2Å; R421-S432 VanDerWaalsContact CZ-CB 3.49Å; R421-S432 PolarHBondContact NH2-O 2.89Å; R421-S432 VanDerWaalsContact NH2-O 3.16Å; S432-R434 PolarHBondContact O-N 3.1Å; S432-R434 VanDerWaalsContact O-N 3.08Å
433S67.7Low70.4Confident9 Ų940.4 Ų40.46%0.06324%0.244CC..THydrogen-bonded Turntrans-60.8-22.1-172.239.90000114.7T315 N429 A459 G460T315-S433 WeakPolarHBondContact OG1-CB 3.38Å; N429-S433 PolarHBondContact O-OG 3.01Å; N429-S433 VanDerWaalsContact O-OG 3.07Å; S433-A459 WeakPolarHBondContact O-CA 3.13Å; S433-A459 WeakPolarHBondContact O-CB 3.47Å; S433-G460 PolarHBondContact O-N 2.85Å
434R79.5Confident72.3Confident45 Ų4539.9 Ų39.917%0.1723%0.232CC..THydrogen-bonded Turntrans-117.7-2.9-165.4-48.3-165.5-165.9173.40.8116.9T426 S432 T474 E477 I481T426-R434 PolarHBondContact OG1-NH2 3.08Å; S432-R434 PolarHBondContact O-N 3.1Å; S432-R434 VanDerWaalsContact O-N 3.08Å; R434-T474 PolarHBondContact NH1-OG1 3.07Å; R434-E477 WeakPolarHBondContact CD-OE2 3.5Å; R434-E477 IonicContact CZ-OE2 2.8Å; R434-E477 IonicContact NE-OE2 3.21Å; R434-E477 IonicContact NH1-OE2 3.76Å; R434-E477 PolarHBondContact NH1-OE2 3.44Å; R434-I481 HydrophobicContact CB-CD1 4.04Å; R434-I481 HydrophobicContact CG-CD1 4.46Å
435S87.8Confident74.7Confident1 Ų142.7 Ų42.71%0.00723%0.234CC..SBendtrans-134.3138.5173.170.60000110.9E368 R421 A437E368-S435 VanDerWaalsContact OE2-CB 3.23Å; E368-S435 WeakPolarHBondContact OE2-CB 3.43Å; E368-S435 PolarHBondContact OE2-OG 2.9Å; R421-S435 PolarHBondContact NE-OG 3.49Å; R421-S435 PolarHBondContact NH2-O 3.09Å; S435-A437 PolarHBondContact O-N 2.86Å
436H92.5Very high77.3Confident5 Ų540.9 Ų40.92%0.02322%0.223CC..EExtended strand (participates in β ladder)trans-80.1115.9173.5-53.1-82.4000108.3E368 I369 D457 L458 A459 S484 L509E368-H436 CarbonylContact C-O 3.54Å; E368-H436 VanDerWaalsContact CA-O 3.3Å; E368-H436 WeakPolarHBondContact CA-O 3.33Å; I369-H436 HydrophobicContact CB-CB 4.3Å; I369-H436 PolarHBondContact N-O 3.38Å; I369-H436 PolarHBondContact O-N 2.88Å; H436-D457 WeakPolarHBondContact CA-O 3.43Å; H436-L458 HydrophobicContact CB-CD2 4.37Å; H436-L458 WeakPolarHBondContact ND1-CA 3.14Å; H436-L458 WeakPolarHBondContact ND1-CD2 3.49Å; H436-A459 PolarHBondContact ND1-N 3.46Å; H436-S484 PolarHBondContact NE2-OG 3.26Å; H436-L509 HydrophobicContact CB-CD1 3.91Å
437A93.6Very high79.8Confident0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-94.5128.2178.500000110.5F366 R421 S435 I456 D457F366-A437 HydrophobicContact CE2-CB 4Å; R421-A437 VanDerWaalsContact CZ-CB 3.41Å; S435-A437 PolarHBondContact O-N 2.86Å; A437-I456 WeakPolarHBondContact O-CA 3.15Å; A437-D457 HydrophobicContact CB-CB 4.41Å; A437-D457 PolarHBondContact N-O 3.49Å; A437-D457 PolarHBondContact O-N 2.71Å
438V95.7Very high82.5Confident1 Ų142.7 Ų42.71%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-119.7105-179.2-1780000108.3F366 F367 Q440 I456F366-V438 WeakPolarHBondContact CA-O 3.34Å; F366-V438 WeakPolarHBondContact CD2-O 3.34Å; F367-V438 HydrophobicContact CD1-CB 4.33Å; F367-V438 HydrophobicContact CD1-CG1 4.49Å; F367-V438 HydrophobicContact CD2-CB 4.04Å; F367-V438 HydrophobicContact CD2-CG2 4.39Å; F367-V438 HydrophobicContact CE1-CB 3.97Å; F367-V438 HydrophobicContact CE1-CG1 3.74Å; F367-V438 HydrophobicContact CE2-CB 3.66Å; F367-V438 HydrophobicContact CE2-CG1 4.05Å; F367-V438 HydrophobicContact CE2-CG2 3.83Å; F367-V438 HydrophobicContact CG-CB 4.38Å; F367-V438 HydrophobicContact CZ-CB 3.63Å; F367-V438 HydrophobicContact CZ-CG1 3.49Å; F367-V438 VanDerWaalsContact CZ-CG1 3.49Å; F367-V438 HydrophobicContact CZ-CG2 4.14Å; F367-V438 PolarHBondContact N-O 2.85Å; F367-V438 PolarHBondContact O-N 3.01Å; V438-Q440 HydrophobicContact CG1-CG 3.84Å; V438-I456 HydrophobicContact CG1-CG1 4.18Å; V438-I456 HydrophobicContact CG2-CD1 4.45Å; V438-I456 HydrophobicContact CG2-CG1 4.21Å; V438-I456 HydrophobicContact CG2-CG2 4.25Å
439F97.1Very high85.1Confident0 Ų042.8 Ų42.80%021%0.213CC..EExtended strand (participates in β ladder)trans-93137.8167.5179.1-106.9000108.4Y339 A364 T365 F366 V410 I414 I441 L455Y339-F439 HydrophobicContact CD1-CB 3.99Å; Y339-F439 AromaticContact CD1-CD1 3.91Å; Y339-F439 HydrophobicContact CD1-CD1 3.91Å; Y339-F439 HydrophobicContact CD1-CG 4.26Å; Y339-F439 HydrophobicContact CE1-CB 3.81Å; Y339-F439 HydrophobicContact CG-CB 4.42Å; Y339-F439 HydrophobicContact CG-CD1 4.11Å; Y339-F439 HydrophobicContact CG-CG 4.4Å; A364-F439 HydrophobicContact CB-CE2 4.06Å; A364-F439 HydrophobicContact CB-CZ 4.12Å; T365-F439 WeakPolarHBondContact O-CA 3.48Å; T365-F439 VanDerWaalsContact O-CD2 3.26Å; T365-F439 WeakPolarHBondContact O-CD2 3.2Å; F366-F439 HydrophobicContact CB-CD2 4.12Å; F366-F439 HydrophobicContact CD1-CD2 4.09Å; F366-F439 HydrophobicContact CD2-CB 3.87Å; F366-F439 HydrophobicContact CD2-CD2 4.29Å; F366-F439 HydrophobicContact CE2-CB 3.89Å; F366-F439 HydrophobicContact CG-CB 4.36Å; F366-F439 AromaticContact CG-CD2 3.93Å; F366-F439 HydrophobicContact CG-CD2 3.93Å; F366-F439 HydrophobicContact CZ-CB 4.47Å; V410-F439 HydrophobicContact CG1-CE1 4.25Å; V410-F439 HydrophobicContact CG1-CE2 4.43Å; V410-F439 HydrophobicContact CG1-CZ 3.6Å; I414-F439 HydrophobicContact CG1-CD2 4.39Å; I414-F439 HydrophobicContact CG1-CE2 4.13Å; I414-F439 HydrophobicContact CG1-CZ 4.39Å; F439-I441 HydrophobicContact CD1-CG1 4.46Å; F439-I441 HydrophobicContact CE1-CD1 4.18Å; F439-I441 HydrophobicContact CE1-CG1 3.64Å; F439-I441 HydrophobicContact CZ-CG1 4.23Å; F439-L455 HydrophobicContact CD1-CD1 4.1Å; F439-L455 PolarHBondContact N-O 2.79Å; F439-L455 PolarHBondContact O-N 3.32Å
440Q97.4Very high87.3Confident12 Ų1239.1 Ų39.16%0.05619%0.193CC..EExtended strand (participates in β ladder)trans-130.4137.9177.5-45.8-175-60.800111.9A364 T365 F367 V438 I442 F453 S454A364-Q440 VanDerWaalsContact CA-O 3.26Å; A364-Q440 WeakPolarHBondContact CA-O 3.16Å; T365-Q440 PolarHBondContact N-O 2.99Å; T365-Q440 PolarHBondContact O-N 3.12Å; T365-Q440 WeakPolarHBondContact OG1-CB 3.17Å; T365-Q440 WeakPolarHBondContact OG1-CG 3.42Å; T365-Q440 PolarHBondContact OG1-OE1 2.84Å; F367-Q440 HydrophobicContact CE1-CG 4.36Å; V438-Q440 HydrophobicContact CG1-CG 3.84Å; Q440-I442 HydrophobicContact CB-CG1 4.35Å; Q440-F453 CarbonylContact C-O 3.53Å; Q440-F453 VanDerWaalsContact CA-O 3.23Å; Q440-F453 WeakPolarHBondContact CA-O 3.39Å; Q440-S454 PolarHBondContact NE2-OG 3.37Å
441I98.3Very high89.3Confident3 Ų337.5 Ų37.52%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-104.3121.8166.6-53.1175.3000107.1A342 A343 V346 V362 F439 K452 F453 L455A342-I441 HydrophobicContact CB-CD1 4.21Å; A343-I441 HydrophobicContact CB-CD1 4.17Å; V346-I441 HydrophobicContact CG1-CG2 4.25Å; V346-I441 HydrophobicContact CG2-CD1 4.29Å; V346-I441 HydrophobicContact CG2-CG2 4.35Å; V362-I441 HydrophobicContact CG1-CG2 3.84Å; F439-I441 HydrophobicContact CD1-CG1 4.46Å; F439-I441 HydrophobicContact CE1-CD1 4.18Å; F439-I441 HydrophobicContact CE1-CG1 3.64Å; F439-I441 HydrophobicContact CZ-CG1 4.23Å; I441-K452 WeakPolarHBondContact O-CA 3.13Å; I441-F453 HydrophobicContact CB-CB 4.37Å; I441-F453 PolarHBondContact N-O 2.96Å; I441-F453 PolarHBondContact O-N 2.96Å; I441-L455 HydrophobicContact CD1-CD1 4.17Å; I441-L455 HydrophobicContact CG1-CD1 4.18Å
442I97.6Very high91.3Very high2 Ų235.5 Ų35.51%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-118123.9-175-57169.9000108.4Y363 T365 E401 Q440 R444 L449 K452Y363-I442 PolarHBondContact N-O 3.19Å; Y363-I442 PolarHBondContact O-N 3.28Å; T365-I442 HydrophobicContact CG2-CD1 3.79Å; E401-I442 HydrophobicContact CG-CD1 3.92Å; Q440-I442 HydrophobicContact CB-CG1 4.35Å; I442-R444 HydrophobicContact CG2-CG 4.08Å; I442-L449 HydrophobicContact CG2-CD1 3.56Å; I442-K452 HydrophobicContact CG1-CG 4.1Å
443L98.1Very high93Very high0 Ų034.5 Ų34.50%016%0.163CC..EExtended strand (participates in β ladder)trans-96.1126.2170.9-58.8-177.8000109I301 F302 V346 L360 V362 H450 G451I301-L443 HydrophobicContact CB-CD1 4.4Å; I301-L443 HydrophobicContact CD1-CD1 3.84Å; I301-L443 HydrophobicContact CD1-CG 4.07Å; I301-L443 HydrophobicContact CG1-CD1 4.07Å; F302-L443 HydrophobicContact CD1-CD1 3.95Å; F302-L443 HydrophobicContact CD2-CD1 4.03Å; F302-L443 HydrophobicContact CE1-CD1 3.92Å; F302-L443 HydrophobicContact CE2-CD1 3.99Å; F302-L443 HydrophobicContact CG-CD1 4.01Å; F302-L443 HydrophobicContact CZ-CD1 3.93Å; V346-L443 HydrophobicContact CG1-CD2 4.23Å; L360-L443 HydrophobicContact CD1-CB 4.36Å; L360-L443 HydrophobicContact CD1-CD1 3.99Å; V362-L443 HydrophobicContact CB-CD2 4.41Å; V362-L443 HydrophobicContact CG1-CD2 4.25Å; V362-L443 HydrophobicContact CG2-CD2 3.86Å; L443-H450 HydrophobicContact CB-CB 4.38Å; L443-H450 WeakPolarHBondContact O-CA 3.45Å; L443-H450 WeakPolarHBondContact O-CB 3.14Å; L443-H450 PolarHBondContact O-N 3.42Å; L443-G451 PolarHBondContact N-O 3.08Å; L443-G451 PolarHBondContact O-N 3.23Å
444R97.6Very high94.4Very high57 Ų5734.3 Ų34.322%0.21516%0.161CC..EExtended strand (participates in β ladder)trans-118.6143.1174.6-66.5-174.7173.3-86.9-3.6111.3L360 Q361 Y363 E401 I442 G447 K448L360-R444 WeakPolarHBondContact CA-O 3.47Å; Q361-R444 PolarHBondContact N-O 2.9Å; Q361-R444 PolarHBondContact O-N 3.4Å; Y363-R444 HydrophobicContact CD2-CB 4.21Å; Y363-R444 HydrophobicContact CD2-CG 3.96Å; Y363-R444 HydrophobicContact CE2-CB 3.93Å; Y363-R444 HydrophobicContact CE2-CG 4.03Å; E401-R444 IonicContact OE1-CZ 3.22Å; E401-R444 IonicContact OE1-NE 2.72Å; E401-R444 IonicContact OE1-NH2 2.92Å; E401-R444 PolarHBondContact OE1-NH2 2.94Å; E401-R444 IonicContact OE2-CZ 2.69Å; E401-R444 IonicContact OE2-NE 2.72Å; E401-R444 PolarHBondContact OE2-NE 3.01Å; E401-R444 IonicContact OE2-NH2 3.76Å; E401-R444 PolarHBondContact OE2-NH2 3.42Å; I442-R444 HydrophobicContact CG2-CG 4.08Å; R444-G447 PolarHBondContact NH1-O 3.09Å; R444-K448 CarbonylContact C-O 3.49Å; R444-K448 WeakPolarHBondContact CA-O 3.2Å; R444-K448 WeakPolarHBondContact CB-O 3.33Å
445R96.7Very high95.2Very high86 Ų8632.1 Ų32.133%0.32515%0.153SC..EExtended strand (participates in β ladder)trans-118.5110.8173.2-166.9174.7-165.2-1512.8109.4L358 L360 G447 K448 H450L358-R445 WeakPolarHBondContact O-CD 3.26Å; L358-R445 WeakPolarHBondContact O-CG 3.47Å; L358-R445 PolarHBondContact O-NE 3.14Å; L360-R445 HydrophobicContact CD2-CB 3.7Å; L360-R445 HydrophobicContact CD2-CG 4.07Å; R445-G447 VanDerWaalsContact C-N 3.31Å; R445-G447 PolarHBondContact O-N 3.44Å; R445-K448 PolarHBondContact N-O 2.88Å; R445-K448 PolarHBondContact O-N 2.88Å; R445-K448 VanDerWaalsContact O-N 3.11Å; R445-H450 HydrophobicContact CB-CB 4.33Å
446K93.6Very high95.6Very high153 Ų15332.1 Ų32.167%0.66515%0.153SC*.THydrogen-bonded Turntrans5152-177.8-53.4-171.5-177.7-169.50110.9E359 K448E359-K446 WeakPolarHBondContact OE2-CE 3.3Å; E359-K446 IonicContact OE2-NZ 3.85Å; E359-K446 PolarHBondContact OE2-NZ 2.87Å; K446-K448 PolarHBondContact O-N 3.42Å
447G91.1Very high95.7Very high43 Ų4331.9 Ų31.944%0.44315%0.152SC..THydrogen-bonded Turntrans75.4-27.9-176.300000116.3R444 R445R444-G447 PolarHBondContact NH1-O 3.09Å; R445-G447 VanDerWaalsContact C-N 3.31Å; R445-G447 PolarHBondContact O-N 3.44Å
448K94Very high95.7Very high168 Ų16831.9 Ų31.973%0.7315%0.152SC*.EExtended strand (participates in β ladder)trans-72.3144.4179.5-62.8-174.8179.6-177.80111.2R444 R445 K446 H450R444-K448 CarbonylContact C-O 3.49Å; R444-K448 WeakPolarHBondContact CA-O 3.2Å; R444-K448 WeakPolarHBondContact CB-O 3.33Å; R445-K448 PolarHBondContact N-O 2.88Å; R445-K448 PolarHBondContact O-N 2.88Å; R445-K448 VanDerWaalsContact O-N 3.11Å; K446-K448 PolarHBondContact O-N 3.42Å; K448-H450 PolarHBondContact O-N 3.07Å
449L92.6Very high95.4Very high82 Ų8231.9 Ų31.943%0.42915%0.152SC..EExtended strand (participates in β ladder)trans-60129.8171.5-178.563.3000109.4I442 K452I442-L449 HydrophobicContact CG2-CD1 3.56Å; L449-K452 HydrophobicContact CD1-CB 4.46Å
450H95.1Very high95Very high15 Ų1531.9 Ų31.97%0.06915%0.152CC..EExtended strand (participates in β ladder)trans-103.5-52.8172.2-177.1101.7000109.7I301 F302 R304 L360 L443 R445 K448I301-H450 PolarHBondContact O-CD2 3.43Å; F302-H450 PolarHBondContact O-NE2 3.4Å; R304-H450 WeakPolarHBondContact CA-O 3.18Å; R304-H450 WeakPolarHBondContact CB-O 3.48Å; L360-H450 HydrophobicContact CD2-CB 3.99Å; L443-H450 HydrophobicContact CB-CB 4.38Å; L443-H450 WeakPolarHBondContact O-CA 3.45Å; L443-H450 WeakPolarHBondContact O-CB 3.14Å; L443-H450 PolarHBondContact O-N 3.42Å; R445-H450 HydrophobicContact CB-CB 4.33Å; K448-H450 PolarHBondContact O-N 3.07Å
451G94.8Very high94.5Very high1 Ų132.2 Ų32.21%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-158.8166.4175.200000112.1G305 L443G305-G451 WeakPolarHBondContact O-CA 3.47Å; L443-G451 PolarHBondContact N-O 3.08Å; L443-G451 PolarHBondContact O-N 3.23Å
452K95.2Very high93.5Very high41 Ų4134 Ų3418%0.17816%0.163CC..EExtended strand (participates in β ladder)trans-145.7130.2-176.3-178.3-175.2-47.6179.30111.6I301 G305 M306 A307 I441 I442 L449I301-K452 VanDerWaalsContact CG2-C 3.4Å; I301-K452 VanDerWaalsContact CG2-O 3.32Å; I301-K452 WeakPolarHBondContact CG2-O 3.23Å; G305-K452 PolarHBondContact O-N 3.02Å; M306-K452 HydrophobicContact CE-CB 3.95Å; M306-K452 HydrophobicContact CE-CD 3.94Å; M306-K452 HydrophobicContact CE-CG 4.37Å; M306-K452 HydrophobicContact SD-CB 3.79Å; A307-K452 PolarHBondContact N-O 2.89Å; I441-K452 WeakPolarHBondContact O-CA 3.13Å; I442-K452 HydrophobicContact CG1-CG 4.1Å; L449-K452 HydrophobicContact CD1-CB 4.46Å
453F97.2Very high92.2Very high0 Ų040.1 Ų40.10%019%0.186CC..EExtended strand (participates in β ladder)trans-107.2117169.9-157.2161.9000108.7A294 L297 V298 I301 A307 C309 A342 Q440 I441 L455A294-F453 HydrophobicContact CB-CZ 3.94Å; A294-F453 WeakPolarHBondContact O-CE1 3.46Å; A294-F453 WeakPolarHBondContact O-CZ 3.39Å; L297-F453 HydrophobicContact CB-CE1 3.98Å; L297-F453 HydrophobicContact CB-CE2 4.11Å; L297-F453 HydrophobicContact CB-CZ 3.58Å; L297-F453 HydrophobicContact CD1-CE2 4.02Å; L297-F453 HydrophobicContact CD1-CZ 4.01Å; L297-F453 HydrophobicContact CG-CZ 4.43Å; V298-F453 HydrophobicContact CG2-CD1 4.43Å; V298-F453 HydrophobicContact CG2-CE1 3.94Å; I301-F453 HydrophobicContact CD1-CB 4.12Å; I301-F453 HydrophobicContact CG2-CB 4.06Å; A307-F453 HydrophobicContact CB-CB 4.14Å; A307-F453 HydrophobicContact CB-CD1 4.27Å; A307-F453 HydrophobicContact CB-CD2 3.5Å; A307-F453 HydrophobicContact CB-CE2 3.89Å; A307-F453 HydrophobicContact CB-CG 3.71Å; A307-F453 HydrophobicContact CB-CZ 4.43Å; A307-F453 CarbonylContact O-C 3.53Å; A307-F453 VanDerWaalsContact O-CA 3.27Å; A307-F453 WeakPolarHBondContact O-CA 3.39Å; C309-F453 HydrophobicContact CB-CE2 3.77Å; C309-F453 HydrophobicContact CB-CZ 4.24Å; A342-F453 HydrophobicContact CB-CE1 4.33Å; Q440-F453 CarbonylContact C-O 3.53Å; Q440-F453 VanDerWaalsContact CA-O 3.23Å; Q440-F453 WeakPolarHBondContact CA-O 3.39Å; I441-F453 HydrophobicContact CB-CB 4.37Å; I441-F453 PolarHBondContact N-O 2.96Å; I441-F453 PolarHBondContact O-N 2.96Å; F453-L455 HydrophobicContact CB-CD1 4.21Å; F453-L455 HydrophobicContact CD1-CD1 4.32Å; F453-L455 HydrophobicContact CD2-CD1 3.94Å; F453-L455 HydrophobicContact CD2-CD2 4.35Å; F453-L455 HydrophobicContact CD2-CG 3.82Å; F453-L455 HydrophobicContact CE1-CD2 4.35Å; F453-L455 HydrophobicContact CE2-CD1 4.43Å; F453-L455 HydrophobicContact CE2-CD2 4.01Å; F453-L455 HydrophobicContact CE2-CG 3.89Å; F453-L455 HydrophobicContact CG-CD1 3.88Å; F453-L455 HydrophobicContact CG-CG 4.25Å; F453-L455 HydrophobicContact CZ-CD2 4Å; F453-L455 HydrophobicContact CZ-CG 4.36Å
454S96.6Very high90.7Very high5 Ų542.5 Ų42.54%0.03521%0.21CC..EExtended strand (participates in β ladder)trans-96.5124.4168.2-51.30000110.1A307 T308 C309 Q440A307-S454 PolarHBondContact O-N 3.47Å; T308-S454 CarbonylContact C-O 3.58Å; T308-S454 VanDerWaalsContact CA-O 3.28Å; T308-S454 WeakPolarHBondContact CA-O 3.07Å; C309-S454 PolarHBondContact N-O 2.74Å; Q440-S454 PolarHBondContact NE2-OG 3.37Å
455L97.3Very high89.2Confident0 Ų042.9 Ų42.90%023%0.225CC..EExtended strand (participates in β ladder)trans-116.5120.2177.8-58.9107.6000108.5C309 M323 I338 Y339 A342 F439 I441 F453C309-L455 CarbonylContact O-C 3.53Å; C309-L455 WeakPolarHBondContact O-CA 3.42Å; M323-L455 HydrophobicContact CE-CB 3.87Å; I338-L455 HydrophobicContact CG2-CD2 3.64Å; Y339-L455 HydrophobicContact CD1-CB 3.58Å; Y339-L455 HydrophobicContact CE1-CB 3.63Å; Y339-L455 WeakPolarHBondContact CE1-O 3.36Å; A342-L455 HydrophobicContact CB-CD2 3.83Å; F439-L455 HydrophobicContact CD1-CD1 4.1Å; F439-L455 PolarHBondContact N-O 2.79Å; F439-L455 PolarHBondContact O-N 3.32Å; I441-L455 HydrophobicContact CD1-CD1 4.17Å; I441-L455 HydrophobicContact CG1-CD1 4.18Å; F453-L455 HydrophobicContact CB-CD1 4.21Å; F453-L455 HydrophobicContact CD1-CD1 4.32Å; F453-L455 HydrophobicContact CD2-CD1 3.94Å; F453-L455 HydrophobicContact CD2-CD2 4.35Å; F453-L455 HydrophobicContact CD2-CG 3.82Å; F453-L455 HydrophobicContact CE1-CD2 4.35Å; F453-L455 HydrophobicContact CE2-CD1 4.43Å; F453-L455 HydrophobicContact CE2-CD2 4.01Å; F453-L455 HydrophobicContact CE2-CG 3.89Å; F453-L455 HydrophobicContact CG-CD1 3.88Å; F453-L455 HydrophobicContact CG-CG 4.25Å; F453-L455 HydrophobicContact CZ-CD2 4Å; F453-L455 HydrophobicContact CZ-CG 4.36Å
456I95.9Very high87.8Confident1 Ų142.7 Ų42.71%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-127.2125.6-159.6-54.6176.5000111.5T308 C309 F310 A311 A437 V438 L458 L513T308-I456 HydrophobicContact CG2-CD1 4.01Å; C309-I456 PolarHBondContact O-N 2.92Å; F310-I456 WeakPolarHBondContact CA-O 3.33Å; F310-I456 HydrophobicContact CB-CB 3.83Å; F310-I456 HydrophobicContact CB-CG2 4.32Å; A311-I456 PolarHBondContact N-O 3.1Å; A437-I456 WeakPolarHBondContact O-CA 3.15Å; V438-I456 HydrophobicContact CG1-CG1 4.18Å; V438-I456 HydrophobicContact CG2-CD1 4.45Å; V438-I456 HydrophobicContact CG2-CG1 4.21Å; V438-I456 HydrophobicContact CG2-CG2 4.25Å; I456-L458 HydrophobicContact CG2-CD2 3.57Å; I456-L458 HydrophobicContact CG2-CG 4.09Å; I456-L513 HydrophobicContact CD1-CD2 3.47Å; I456-L513 VanDerWaalsContact CD1-CD2 3.47Å; I456-L513 HydrophobicContact CD1-CG 4.34Å
457D94.6Very high86.5Confident0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-104.599169.8178.753.3000107.8K319 T320 M323 Y339 R421 H436 A437K319-D457 VanDerWaalsContact C-OD1 3.23Å; K319-D457 WeakPolarHBondContact CB-OD1 3.46Å; T320-D457 VanDerWaalsContact CA-OD1 3.3Å; T320-D457 WeakPolarHBondContact CA-OD1 3.41Å; T320-D457 WeakPolarHBondContact CG2-OD2 3.32Å; T320-D457 PolarHBondContact N-OD1 2.71Å; T320-D457 VanDerWaalsContact OG1-CG 3.31Å; T320-D457 PolarHBondContact OG1-OD1 3.46Å; T320-D457 VanDerWaalsContact OG1-OD1 3.07Å; T320-D457 PolarHBondContact OG1-OD2 3.03Å; M323-D457 HydrophobicContact CB-CB 4.11Å; M323-D457 HydrophobicContact CG-CB 4.06Å; Y339-D457 WeakPolarHBondContact OH-CB 3.11Å; R421-D457 IonicContact CZ-OD2 3.94Å; R421-D457 VanDerWaalsContact CZ-OD2 3.26Å; R421-D457 IonicContact NH1-OD2 2.75Å; R421-D457 PolarHBondContact NH1-OD2 2.82Å; R421-D457 IonicContact NH2-OD2 3.12Å; R421-D457 PolarHBondContact NH2-OD2 3.04Å; H436-D457 WeakPolarHBondContact CA-O 3.43Å; A437-D457 HydrophobicContact CB-CB 4.41Å; A437-D457 PolarHBondContact N-O 3.49Å; A437-D457 PolarHBondContact O-N 2.71Å
458L93.1Very high85.1Confident0 Ų038.6 Ų38.60%021%0.213CC..PPolyproline II helixtrans-70.2160.5-178.4-61.4175.5000111.2F310 A311 Y312 K319 H436 I456 L485 L488 L509F310-L458 HydrophobicContact CD2-CD1 3.67Å; F310-L458 HydrophobicContact CE2-CD1 4.3Å; F310-L458 HydrophobicContact CG-CD1 4.47Å; A311-L458 VanDerWaalsContact O-CB 3.29Å; A311-L458 WeakPolarHBondContact O-CB 3.45Å; A311-L458 WeakPolarHBondContact O-CG 3.35Å; A311-L458 PolarHBondContact O-N 2.91Å; Y312-L458 HydrophobicContact CD2-CD1 3.9Å; K319-L458 WeakPolarHBondContact CE-O 2.82Å; H436-L458 HydrophobicContact CB-CD2 4.37Å; H436-L458 WeakPolarHBondContact ND1-CA 3.14Å; H436-L458 WeakPolarHBondContact ND1-CD2 3.49Å; I456-L458 HydrophobicContact CG2-CD2 3.57Å; I456-L458 HydrophobicContact CG2-CG 4.09Å; L458-L485 HydrophobicContact CD1-CD2 4.26Å; L458-L488 HydrophobicContact CD1-CD2 4.32Å; L458-L509 HydrophobicContact CD2-CD1 3.72Å; L458-L509 HydrophobicContact CD2-CD2 3.97Å; L458-L509 HydrophobicContact CD2-CG 4.46Å
459A90.4Very high83.9Confident0 Ų036.2 Ų36.20%022%0.218CC..PPolyproline II helixtrans-63.7170.9166.900000112K319 S433 H436 I481K319-A459 WeakPolarHBondContact CE-O 3.27Å; S433-A459 WeakPolarHBondContact O-CA 3.13Å; S433-A459 WeakPolarHBondContact O-CB 3.47Å; H436-A459 PolarHBondContact ND1-N 3.46Å; A459-I481 HydrophobicContact CB-CB 4.42Å; A459-I481 HydrophobicContact CB-CD1 4.29Å; A459-I481 HydrophobicContact CB-CG1 3.95Å; A459-I481 HydrophobicContact CB-CG2 3.65Å
460G88.8Confident82.8Confident1 Ų133.6 Ų33.61%0.0121%0.208CC..PPolyproline II helixtrans-63154.5174.200000113.8S433 E462 I481 L485S433-G460 PolarHBondContact O-N 2.85Å; G460-E462 VanDerWaalsContact C-OE2 3.3Å; G460-E462 WeakPolarHBondContact CA-OE2 3.41Å; G460-I481 WeakPolarHBondContact O-CG2 3.12Å; G460-L485 VanDerWaalsContact O-CD1 3.26Å; G460-L485 WeakPolarHBondContact O-CD1 3.41Å
461N85.5Confident82Confident18 Ų1836.5 Ų36.510%0.09622%0.224CC..  trans-111.114.1176.975.5-16.8000113.8Y312 G313 Q314 L485 T543Y312-N461 WeakPolarHBondContact CE1-ND2 3.4Å; Y312-N461 HydrophobicContact CE2-CB 3.93Å; Y312-N461 WeakPolarHBondContact OH-CB 3.44Å; Y312-N461 PolarHBondContact OH-ND2 3.49Å; G313-N461 PolarHBondContact O-N 3.03Å; G313-N461 PolarHBondContact O-OD1 3.45Å; Q314-N461 WeakPolarHBondContact CA-OD1 3.44Å; Q314-N461 PolarHBondContact N-OD1 3.26Å; N461-L485 HydrophobicContact CB-CD1 3.85Å; N461-T543 PolarHBondContact ND2-OG1 3.33Å
462E77.2Confident81.5Confident42 Ų4245.9 Ų45.920%0.19626%0.259CS..  trans-53.7152170.247.8-92-154.400113.8T315 G460 D466 N482T315-E462 WeakPolarHBondContact CB-OE1 3.46Å; T315-E462 PolarHBondContact N-OE2 2.75Å; T315-E462 PolarHBondContact OG1-OE1 2.9Å; T315-E462 PolarHBondContact OG1-OE2 2.98Å; G460-E462 VanDerWaalsContact C-OE2 3.3Å; G460-E462 WeakPolarHBondContact CA-OE2 3.41Å; E462-D466 HydrophobicContact CB-CB 4.42Å; E462-D466 WeakPolarHBondContact CB-OD2 3.44Å; E462-N482 PolarHBondContact O-ND2 2.9Å
463R70.6Confident80.8Confident129 Ų12948.2 Ų48.249%0.48727%0.271SS..  trans-81.5159.1-174.9-63.7172.766.7-172.6-3.7110.5A465 D466 E538R463-A465 PolarHBondContact O-N 3.28Å; R463-D466 PolarHBondContact N-OD2 3.03Å; R463-D466 WeakPolarHBondContact O-CB 3.45Å; R463-D466 PolarHBondContact O-N 2.79Å; R463-E538 WeakPolarHBondContact CD-OE1 3.38Å; R463-E538 IonicContact CZ-OE1 3.04Å; R463-E538 IonicContact NE-OE1 3.78Å; R463-E538 IonicContact NH1-OE1 2.67Å; R463-E538 PolarHBondContact NH1-OE1 3.13Å; R463-E538 IonicContact NH1-OE2 3.2Å; R463-E538 PolarHBondContact NH1-OE2 3.17Å
464G65.8Low79.9Confident50 Ų5048.8 Ų48.852%0.51527%0.274SS..SBendtrans-59.6-33.7175.700000113.3D466 T467 S468G464-D466 VanDerWaalsContact C-N 3.31Å; G464-D466 PolarHBondContact O-N 3.47Å; G464-T467 CarbonylContact O-C 3.59Å; G464-T467 PolarHBondContact O-N 3.29Å; G464-T467 PolarHBondContact O-OG1 2.86Å; G464-S468 PolarHBondContact O-N 2.99Å; G464-S468 VanDerWaalsContact O-N 3.16Å
465A66.9Low79.1Confident65 Ų6554.3 Ų54.354%0.53729%0.294SS..G310 helixtrans-55.8-44.3176.600000112.3R463 T467 S468R463-A465 PolarHBondContact O-N 3.28Å; A465-T467 PolarHBondContact O-N 2.95Å; A465-S468 VanDerWaalsContact O-CB 3.26Å; A465-S468 WeakPolarHBondContact O-CB 3.34Å; A465-S468 PolarHBondContact O-N 3.26Å; A465-S468 PolarHBondContact O-OG 3Å
466D67.3Low78.4Confident82 Ų8258.6 Ų58.644%0.43932%0.317SS..G310 helixtrans-58.7-14.6178.2-40.2-4.4000112.7E462 R463 G464E462-D466 HydrophobicContact CB-CB 4.42Å; E462-D466 WeakPolarHBondContact CB-OD2 3.44Å; R463-D466 PolarHBondContact N-OD2 3.03Å; R463-D466 WeakPolarHBondContact O-CB 3.45Å; R463-D466 PolarHBondContact O-N 2.79Å; G464-D466 VanDerWaalsContact C-N 3.31Å; G464-D466 PolarHBondContact O-N 3.47Å
467T65.9Low77.7Confident35 Ų3559.1 Ų59.122%0.21532%0.319CS..G310 helixtrans-125.811.9-179.9650000113.6G464 A465 S469 A470 R475G464-T467 CarbonylContact O-C 3.59Å; G464-T467 PolarHBondContact O-N 3.29Å; G464-T467 PolarHBondContact O-OG1 2.86Å; A465-T467 PolarHBondContact O-N 2.95Å; T467-S469 VanDerWaalsContact C-N 3.33Å; T467-S469 PolarHBondContact O-N 3.13Å; T467-A470 WeakPolarHBondContact O-CB 3.2Å; T467-A470 PolarHBondContact O-N 3.02Å; T467-R475 WeakPolarHBondContact O-CG 3.19Å
468S62.6Low77.2Confident75 Ų7559.8 Ų59.852%0.52433%0.326SS..THydrogen-bonded Turntrans-55.2-43-175.852.10000113.6G464 A465 A470 R475G464-S468 PolarHBondContact O-N 2.99Å; G464-S468 VanDerWaalsContact O-N 3.16Å; A465-S468 VanDerWaalsContact O-CB 3.26Å; A465-S468 WeakPolarHBondContact O-CB 3.34Å; A465-S468 PolarHBondContact O-N 3.26Å; A465-S468 PolarHBondContact O-OG 3Å; S468-A470 VanDerWaalsContact C-N 3.28Å; S468-A470 PolarHBondContact O-N 3.26Å; S468-R475 PolarHBondContact O-NH1 3.37Å
469S67.6Low76.8Confident119 Ų11962.6 Ų62.683%0.83235%0.349SS*.THydrogen-bonded Turntrans-77.3-4.8177.157.50000114.8T467T467-S469 VanDerWaalsContact C-N 3.33Å; T467-S469 PolarHBondContact O-N 3.13Å
470A69.9Low76.7Confident27 Ų2765.2 Ų65.222%0.22336%0.362CS..SBendtrans-74.9165.6179.400000112.5T467 S468 T474 R475T467-A470 WeakPolarHBondContact O-CB 3.2Å; T467-A470 PolarHBondContact O-N 3.02Å; S468-A470 VanDerWaalsContact C-N 3.28Å; S468-A470 PolarHBondContact O-N 3.26Å; A470-T474 HydrophobicContact CB-CG2 3.64Å; A470-R475 HydrophobicContact CB-CG 4.38Å; A470-R475 PolarHBondContact O-NE 3.01Å; A470-R475 PolarHBondContact O-NH1 3.23Å
471D79.4Confident76.6Confident75 Ų7565.9 Ų65.940%0.40137%0.365SS..  trans-66.1165.7179.272.4-86.1000113Q473 T474 R475D471-Q473 VanDerWaalsContact C-N 3.28Å; D471-Q473 PolarHBondContact O-N 3.49Å; D471-Q473 VanDerWaalsContact OD2-CA 3.32Å; D471-Q473 WeakPolarHBondContact OD2-CA 3.39Å; D471-Q473 VanDerWaalsContact OD2-CB 3.27Å; D471-Q473 WeakPolarHBondContact OD2-CB 3.47Å; D471-Q473 PolarHBondContact OD2-N 3.32Å; D471-T474 PolarHBondContact O-N 3.46Å; D471-T474 WeakPolarHBondContact OD1-CB 3.47Å; D471-T474 PolarHBondContact OD1-OG1 3.28Å; D471-T474 PolarHBondContact OD2-N 3.2Å; D471-R475 WeakPolarHBondContact O-CG 3.4Å; D471-R475 PolarHBondContact O-N 2.95Å
472R82.8Confident76.7Confident198 Ų19867.9 Ų67.975%0.74738%0.376SS*.Hα-helixtrans-58.1-35.7-177.8-176.1178.5-179.6-129.42.6113.5L476R472-L476 HydrophobicContact CG-CD1 4.23Å; R472-L476 VanDerWaalsContact O-CG 3.26Å; R472-L476 WeakPolarHBondContact O-CG 3.45Å; R472-L476 PolarHBondContact O-N 3.49Å; R472-L476 VanDerWaalsContact O-N 3.15Å
473Q80.9Confident77.3Confident91 Ų9171.1 Ų71.143%0.42539%0.389SS..Hα-helixtrans-75.8-44.9-178.2175.754.440.700110.4Y370 D471 R475 L476 E477Y370-Q473 PolarHBondContact OH-NE2 2.96Å; D471-Q473 VanDerWaalsContact C-N 3.28Å; D471-Q473 PolarHBondContact O-N 3.49Å; D471-Q473 VanDerWaalsContact OD2-CA 3.32Å; D471-Q473 WeakPolarHBondContact OD2-CA 3.39Å; D471-Q473 VanDerWaalsContact OD2-CB 3.27Å; D471-Q473 WeakPolarHBondContact OD2-CB 3.47Å; D471-Q473 PolarHBondContact OD2-N 3.32Å; Q473-R475 VanDerWaalsContact C-N 3.33Å; Q473-R475 PolarHBondContact O-N 3.34Å; Q473-L476 PolarHBondContact O-N 2.73Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.41Å; Q473-E477 PolarHBondContact NE2-OE1 3.39Å; Q473-E477 WeakPolarHBondContact O-CG 3.41Å; Q473-E477 PolarHBondContact O-N 2.68Å
474T78.7Confident78.3Confident12 Ų1265.5 Ų65.57%0.07437%0.369CS..Hα-helixtrans-58.2-40.9171.8-63.30000112.3R434 A470 D471 E477 G478R434-T474 PolarHBondContact NH1-OG1 3.07Å; A470-T474 HydrophobicContact CB-CG2 3.64Å; D471-T474 PolarHBondContact O-N 3.46Å; D471-T474 WeakPolarHBondContact OD1-CB 3.47Å; D471-T474 PolarHBondContact OD1-OG1 3.28Å; D471-T474 PolarHBondContact OD2-N 3.2Å; T474-E477 WeakPolarHBondContact O-CB 3.19Å; T474-E477 PolarHBondContact O-N 3.3Å; T474-G478 PolarHBondContact O-N 2.88Å
475R79.8Confident79.5Confident121 Ų12163.2 Ų63.246%0.45735%0.346SS..Hα-helixtrans-67.3-36.2176.5-68.7-171-59.8-133.8-0113.2T467 S468 A470 D471 Q473 G478 A479T467-R475 WeakPolarHBondContact O-CG 3.19Å; S468-R475 PolarHBondContact O-NH1 3.37Å; A470-R475 HydrophobicContact CB-CG 4.38Å; A470-R475 PolarHBondContact O-NE 3.01Å; A470-R475 PolarHBondContact O-NH1 3.23Å; D471-R475 WeakPolarHBondContact O-CG 3.4Å; D471-R475 PolarHBondContact O-N 2.95Å; Q473-R475 VanDerWaalsContact C-N 3.33Å; Q473-R475 PolarHBondContact O-N 3.34Å; R475-G478 PolarHBondContact O-N 3.37Å; R475-A479 PolarHBondContact O-N 2.92Å
476L82.4Confident80.5Confident89 Ų8965.1 Ų65.147%0.46635%0.346SS..Hα-helixtrans-68.5-34.8173.8-73.4168.6000112.4R472 Q473 E480R472-L476 HydrophobicContact CG-CD1 4.23Å; R472-L476 VanDerWaalsContact O-CG 3.26Å; R472-L476 WeakPolarHBondContact O-CG 3.45Å; R472-L476 PolarHBondContact O-N 3.49Å; R472-L476 VanDerWaalsContact O-N 3.15Å; Q473-L476 PolarHBondContact O-N 2.73Å; L476-E480 PolarHBondContact O-N 2.68Å
477E82.3Confident81.6Confident12 Ų1261.6 Ų61.66%0.05633%0.328CS..Hα-helixtrans-62.2-51.8170.3-70.7158.5-155.300110.7Y370 R434 Q473 T474 A479 E480 I481Y370-E477 HydrophobicContact CE2-CG 3.84Å; Y370-E477 PolarHBondContact OH-OE1 3Å; R434-E477 WeakPolarHBondContact CD-OE2 3.5Å; R434-E477 IonicContact CZ-OE2 2.8Å; R434-E477 IonicContact NE-OE2 3.21Å; R434-E477 IonicContact NH1-OE2 3.76Å; R434-E477 PolarHBondContact NH1-OE2 3.44Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.41Å; Q473-E477 PolarHBondContact NE2-OE1 3.39Å; Q473-E477 WeakPolarHBondContact O-CG 3.41Å; Q473-E477 PolarHBondContact O-N 2.68Å; T474-E477 WeakPolarHBondContact O-CB 3.19Å; T474-E477 PolarHBondContact O-N 3.3Å; E477-A479 VanDerWaalsContact C-N 3.26Å; E477-A479 PolarHBondContact O-N 3.01Å; E477-E480 PolarHBondContact O-N 2.75Å; E477-I481 HydrophobicContact CB-CD1 4.44Å; E477-I481 WeakPolarHBondContact O-CB 3.36Å; E477-I481 VanDerWaalsContact O-CD1 3.32Å; E477-I481 WeakPolarHBondContact O-CD1 3.3Å; E477-I481 WeakPolarHBondContact O-CG1 3.3Å; E477-I481 PolarHBondContact O-N 2.93Å
478G83.4Confident82.7Confident15 Ų1560 Ų6016%0.15532%0.318CS..Hα-helixtrans-55.4-37.3177.500000113.9T474 R475 N482T474-G478 PolarHBondContact O-N 2.88Å; R475-G478 PolarHBondContact O-N 3.37Å; G478-N482 WeakPolarHBondContact O-CB 2.8Å; G478-N482 PolarHBondContact O-N 2.75Å; G478-N482 PolarHBondContact O-ND2 3.16Å; G478-N482 VanDerWaalsContact O-ND2 3.13Å
479A84.6Confident83.7Confident58 Ų5859.6 Ų59.648%0.47931%0.307SS..Hα-helixtrans-68.1-48175.900000113.1R475 E477 I481 N482 K483R475-A479 PolarHBondContact O-N 2.92Å; E477-A479 VanDerWaalsContact C-N 3.26Å; E477-A479 PolarHBondContact O-N 3.01Å; A479-I481 VanDerWaalsContact C-N 3.34Å; A479-I481 PolarHBondContact O-N 3.15Å; A479-N482 PolarHBondContact O-N 2.9Å; A479-K483 WeakPolarHBondContact O-CB 3.48Å; A479-K483 PolarHBondContact O-N 2.89Å
480E88.4Confident84.6Confident55 Ų5556.9 Ų56.926%0.25728%0.281SS..Hα-helixtrans-68.5-32.5177.6-80.7-71.5130.700112.4G372 L476 E477 K483 S484G372-E480 WeakPolarHBondContact CA-OE2 3.22Å; G372-E480 PolarHBondContact N-OE2 3.38Å; L476-E480 PolarHBondContact O-N 2.68Å; E477-E480 PolarHBondContact O-N 2.75Å; E480-K483 VanDerWaalsContact OE1-CD 3.3Å; E480-K483 WeakPolarHBondContact OE1-CD 3.45Å; E480-K483 WeakPolarHBondContact OE1-CE 3.35Å; E480-K483 IonicContact OE1-NZ 3.56Å; E480-K483 PolarHBondContact OE1-NZ 3.12Å; E480-K483 IonicContact OE2-NZ 3.29Å; E480-S484 WeakPolarHBondContact O-CB 3.48Å; E480-S484 PolarHBondContact O-N 3.33Å; E480-S484 PolarHBondContact O-OG 2.9Å
481I87.1Confident85.4Confident16 Ų1655.6 Ų55.68%0.08227%0.271CS..Hα-helixtrans-60.4-58.3170.7-68.8159.3000109.7R434 A459 G460 E477 A479 K483 S484 L485R434-I481 HydrophobicContact CB-CD1 4.04Å; R434-I481 HydrophobicContact CG-CD1 4.46Å; A459-I481 HydrophobicContact CB-CB 4.42Å; A459-I481 HydrophobicContact CB-CD1 4.29Å; A459-I481 HydrophobicContact CB-CG1 3.95Å; A459-I481 HydrophobicContact CB-CG2 3.65Å; G460-I481 WeakPolarHBondContact O-CG2 3.12Å; E477-I481 HydrophobicContact CB-CD1 4.44Å; E477-I481 WeakPolarHBondContact O-CB 3.36Å; E477-I481 VanDerWaalsContact O-CD1 3.32Å; E477-I481 WeakPolarHBondContact O-CD1 3.3Å; E477-I481 WeakPolarHBondContact O-CG1 3.3Å; E477-I481 PolarHBondContact O-N 2.93Å; A479-I481 VanDerWaalsContact C-N 3.34Å; A479-I481 PolarHBondContact O-N 3.15Å; I481-K483 VanDerWaalsContact C-N 3.31Å; I481-K483 PolarHBondContact O-N 3.26Å; I481-S484 PolarHBondContact O-N 2.92Å; I481-S484 PolarHBondContact O-OG 3.09Å; I481-L485 HydrophobicContact CG2-CD1 4.09Å; I481-L485 PolarHBondContact O-N 2.79Å
482N87.3Confident85.4Confident60 Ų6052.2 Ų52.232%0.32125%0.253SS..Hα-helixtrans-60-39.4-178.6-90-71.2000112.5E462 G478 A479 S484 L485 L486E462-N482 PolarHBondContact O-ND2 2.9Å; G478-N482 WeakPolarHBondContact O-CB 2.8Å; G478-N482 PolarHBondContact O-N 2.75Å; G478-N482 PolarHBondContact O-ND2 3.16Å; G478-N482 VanDerWaalsContact O-ND2 3.13Å; A479-N482 PolarHBondContact O-N 2.9Å; N482-S484 PolarHBondContact O-N 2.76Å; N482-L485 PolarHBondContact O-N 2.95Å; N482-L486 VanDerWaalsContact O-CB 3.23Å; N482-L486 WeakPolarHBondContact O-CB 3.28Å; N482-L486 PolarHBondContact O-N 2.88Å
483K90.4Very high85.2Confident109 Ų10946.9 Ų46.947%0.47423%0.233SC..Hα-helixtrans-59.4-43.9172.2176.3-177.9173.9-176.70113.1A479 E480 I481 A487A479-K483 WeakPolarHBondContact O-CB 3.48Å; A479-K483 PolarHBondContact O-N 2.89Å; E480-K483 VanDerWaalsContact OE1-CD 3.3Å; E480-K483 WeakPolarHBondContact OE1-CD 3.45Å; E480-K483 WeakPolarHBondContact OE1-CE 3.35Å; E480-K483 IonicContact OE1-NZ 3.56Å; E480-K483 PolarHBondContact OE1-NZ 3.12Å; E480-K483 IonicContact OE2-NZ 3.29Å; I481-K483 VanDerWaalsContact C-N 3.31Å; I481-K483 PolarHBondContact O-N 3.26Å; K483-A487 WeakPolarHBondContact O-CB 3.42Å; K483-A487 PolarHBondContact O-N 3.07Å
484S92Very high85.2Confident11 Ų1142.8 Ų42.88%0.07721%0.214CC..Hα-helixtrans-70.1-34.6178.367.60000113.2H436 E480 I481 N482 L488H436-S484 PolarHBondContact NE2-OG 3.26Å; E480-S484 WeakPolarHBondContact O-CB 3.48Å; E480-S484 PolarHBondContact O-N 3.33Å; E480-S484 PolarHBondContact O-OG 2.9Å; I481-S484 PolarHBondContact O-N 2.92Å; I481-S484 PolarHBondContact O-OG 3.09Å; N482-S484 PolarHBondContact O-N 2.76Å; S484-L488 PolarHBondContact O-N 3.22Å
485L88.9Confident85.1Confident3 Ų344.4 Ų44.42%0.01622%0.222CC..Hα-helixtrans-72.5-41.1173.4-67.3179.7000111.6Y312 L458 G460 N461 I481 N482 L488 K489Y312-L485 HydrophobicContact CD2-CD2 4.29Å; Y312-L485 HydrophobicContact CE2-CD1 4.2Å; Y312-L485 HydrophobicContact CE2-CD2 4.02Å; L458-L485 HydrophobicContact CD1-CD2 4.26Å; G460-L485 VanDerWaalsContact O-CD1 3.26Å; G460-L485 WeakPolarHBondContact O-CD1 3.41Å; N461-L485 HydrophobicContact CB-CD1 3.85Å; I481-L485 HydrophobicContact CG2-CD1 4.09Å; I481-L485 PolarHBondContact O-N 2.79Å; N482-L485 PolarHBondContact O-N 2.95Å; L485-L488 CarbonylContact O-C 3.54Å; L485-L488 WeakPolarHBondContact O-CA 3.15Å; L485-L488 WeakPolarHBondContact O-CB 2.94Å; L485-L488 PolarHBondContact O-N 3.24Å; L485-L488 VanDerWaalsContact O-N 3.08Å; L485-K489 VanDerWaalsContact O-CG 3.22Å; L485-K489 WeakPolarHBondContact O-CG 3.17Å; L485-K489 PolarHBondContact O-N 3.36Å
486L89Confident84.5Confident104 Ų10440 Ų4055%0.54521%0.214SC..Hα-helixtrans-59.7-44.9173.3178.961000111.3N482 L488 K489 E490N482-L486 VanDerWaalsContact O-CB 3.23Å; N482-L486 WeakPolarHBondContact O-CB 3.28Å; N482-L486 PolarHBondContact O-N 2.88Å; L486-L488 VanDerWaalsContact C-N 3.25Å; L486-L488 PolarHBondContact O-N 2.81Å; L486-K489 WeakPolarHBondContact O-CB 3.4Å; L486-K489 PolarHBondContact O-N 3.49Å; L486-K489 VanDerWaalsContact O-N 3.09Å; L486-E490 HydrophobicContact CD1-CG 4.44Å; L486-E490 PolarHBondContact O-N 2.85Å
487A90.7Very high84.3Confident8 Ų844 Ų447%0.06622%0.223CC..Hα-helixtrans-57.2-39.2172.700000111.9K483 E490 C491 A506 T510K483-A487 WeakPolarHBondContact O-CB 3.42Å; K483-A487 PolarHBondContact O-N 3.07Å; A487-E490 PolarHBondContact O-N 3.31Å; A487-C491 WeakPolarHBondContact O-CB 3.27Å; A487-C491 PolarHBondContact O-N 3.24Å; A487-C491 PolarHBondContact O-SG 2.71Å; A487-A506 HydrophobicContact CB-CB 3.87Å; A487-T510 HydrophobicContact CB-CG2 3.96Å
488L88.9Confident84Confident1 Ų149.7 Ų49.71%0.00525%0.254CS..Hα-helixtrans-66.5-42.1174.1-173.365.9000111.8L458 S484 L485 L486 E490 C491 I492 L509 T510 L513 F517L458-L488 HydrophobicContact CD1-CD2 4.32Å; S484-L488 PolarHBondContact O-N 3.22Å; L485-L488 CarbonylContact O-C 3.54Å; L485-L488 WeakPolarHBondContact O-CA 3.15Å; L485-L488 WeakPolarHBondContact O-CB 2.94Å; L485-L488 PolarHBondContact O-N 3.24Å; L485-L488 VanDerWaalsContact O-N 3.08Å; L486-L488 VanDerWaalsContact C-N 3.25Å; L486-L488 PolarHBondContact O-N 2.81Å; L488-E490 VanDerWaalsContact C-N 3.3Å; L488-E490 PolarHBondContact O-N 3.11Å; L488-C491 PolarHBondContact O-N 3.34Å; L488-I492 HydrophobicContact CD1-CD1 3.83Å; L488-I492 HydrophobicContact CD1-CG1 4.29Å; L488-I492 HydrophobicContact CG-CD1 3.83Å; L488-I492 WeakPolarHBondContact O-CB 3.42Å; L488-I492 VanDerWaalsContact O-CG1 3.28Å; L488-I492 WeakPolarHBondContact O-CG1 3.27Å; L488-I492 PolarHBondContact O-N 2.99Å; L488-I492 VanDerWaalsContact O-N 3.07Å; L488-L509 HydrophobicContact CB-CD2 4.35Å; L488-L509 HydrophobicContact CD2-CD2 4.17Å; L488-T510 HydrophobicContact CB-CG2 4.1Å; L488-T510 HydrophobicContact CD1-CG2 4.22Å; L488-L513 HydrophobicContact CD1-CD1 3.69Å; L488-F517 HydrophobicContact CD1-CE2 4.01Å; L488-F517 HydrophobicContact CD1-CZ 4.19Å
489K83.6Confident83.9Confident67 Ų6753.4 Ų53.429%0.29127%0.266SS..Hα-helixtrans-57.3-45.2173.3-48.8-153.7176.3177.50111Y312 L485 L486 I492 R493 Y546Y312-K489 WeakPolarHBondContact OH-CE 3.46Å; L485-K489 VanDerWaalsContact O-CG 3.22Å; L485-K489 WeakPolarHBondContact O-CG 3.17Å; L485-K489 PolarHBondContact O-N 3.36Å; L486-K489 WeakPolarHBondContact O-CB 3.4Å; L486-K489 PolarHBondContact O-N 3.49Å; L486-K489 VanDerWaalsContact O-N 3.09Å; K489-I492 PolarHBondContact O-N 2.88Å; K489-R493 VanDerWaalsContact O-CB 3.26Å; K489-R493 WeakPolarHBondContact O-CB 3.41Å; K489-R493 PolarHBondContact O-N 2.98Å; K489-Y546 HydrophobicContact CB-CD2 4.38Å; K489-Y546 HydrophobicContact CB-CE2 3.72Å; K489-Y546 HydrophobicContact CD-CD2 3.63Å; K489-Y546 HydrophobicContact CD-CE2 3.74Å; K489-Y546 HydrophobicContact CD-CG 4.27Å; K489-Y546 HydrophobicContact CG-CD2 3.87Å; K489-Y546 HydrophobicContact CG-CE2 3.39Å
490E86.6Confident83.8Confident62 Ų6257.6 Ų57.629%0.2929%0.288SS..Hα-helixtrans-72.4-35.4-178.4-76-58.3103.300114.1L486 A487 L488 R493 A494 P503L486-E490 HydrophobicContact CD1-CG 4.44Å; L486-E490 PolarHBondContact O-N 2.85Å; A487-E490 PolarHBondContact O-N 3.31Å; L488-E490 VanDerWaalsContact C-N 3.3Å; L488-E490 PolarHBondContact O-N 3.11Å; E490-R493 WeakPolarHBondContact OE1-CD 3.43Å; E490-R493 IonicContact OE1-CZ 2.63Å; E490-R493 IonicContact OE1-NE 2.65Å; E490-R493 PolarHBondContact OE1-NE 3.09Å; E490-R493 IonicContact OE1-NH2 2.67Å; E490-R493 IonicContact OE2-CZ 3.4Å; E490-R493 IonicContact OE2-NE 3.57Å; E490-R493 PolarHBondContact OE2-NE 3.02Å; E490-R493 VanDerWaalsContact OE2-NE 3.16Å; E490-R493 IonicContact OE2-NH2 2.72Å; E490-R493 PolarHBondContact OE2-NH2 3.37Å; E490-A494 WeakPolarHBondContact O-CB 3.46Å; E490-A494 PolarHBondContact O-N 2.82Å; E490-P503 HydrophobicContact CB-CG 4.26Å
491C86.9Confident83.6Confident1 Ų161.8 Ų61.81%0.00731%0.307CS..Hα-helixtrans-62.1-48.7171.5-68.40000110.7A487 L488 A494 L495 T502 P503 F504 T510A487-C491 WeakPolarHBondContact O-CB 3.27Å; A487-C491 PolarHBondContact O-N 3.24Å; A487-C491 PolarHBondContact O-SG 2.71Å; L488-C491 PolarHBondContact O-N 3.34Å; C491-A494 PolarHBondContact O-N 3.14Å; C491-L495 WeakPolarHBondContact O-CG 3.23Å; C491-L495 PolarHBondContact O-N 2.95Å; C491-T502 HydrophobicContact CB-CG2 3.98Å; C491-T502 WeakPolarHBondContact O-CG2 3.49Å; C491-P503 VanDerWaalsContact SG-C 3.54Å; C491-F504 HydrophobicContact CB-CD1 4.18Å; C491-F504 HydrophobicContact CB-CE1 4.11Å; C491-F504 VanDerWaalsContact SG-CA 3.58Å; C491-T510 HydrophobicContact CB-CG2 4.41Å
492I79.3Confident83.6Confident3 Ų362.2 Ų62.22%0.01531%0.311CS..Hα-helixtrans-68.8-39.7-176.6-62.5173.9000110.7L488 K489 A494 L495 G496 F517 V550 F553L488-I492 HydrophobicContact CD1-CD1 3.83Å; L488-I492 HydrophobicContact CD1-CG1 4.29Å; L488-I492 HydrophobicContact CG-CD1 3.83Å; L488-I492 WeakPolarHBondContact O-CB 3.42Å; L488-I492 VanDerWaalsContact O-CG1 3.28Å; L488-I492 WeakPolarHBondContact O-CG1 3.27Å; L488-I492 PolarHBondContact O-N 2.99Å; L488-I492 VanDerWaalsContact O-N 3.07Å; K489-I492 PolarHBondContact O-N 2.88Å; I492-A494 VanDerWaalsContact C-N 3.34Å; I492-A494 PolarHBondContact O-N 3.23Å; I492-L495 PolarHBondContact O-N 3.2Å; I492-G496 PolarHBondContact O-N 2.94Å; I492-G496 VanDerWaalsContact O-N 3.08Å; I492-F517 HydrophobicContact CD1-CE1 3.98Å; I492-F517 HydrophobicContact CD1-CZ 3.73Å; I492-F517 HydrophobicContact CG1-CE1 3.97Å; I492-F517 HydrophobicContact CG1-CZ 3.96Å; I492-V550 HydrophobicContact CD1-CG2 4.37Å; I492-V550 HydrophobicContact CG2-CB 4.49Å; I492-V550 HydrophobicContact CG2-CG1 4.28Å; I492-V550 HydrophobicContact CG2-CG2 4.08Å; I492-F553 HydrophobicContact CG2-CD2 3.32Å; I492-F553 HydrophobicContact CG2-CE2 3.52Å; I492-F553 WeakPolarHBondContact O-CE2 3.38Å
493R78.1Confident83.7Confident87 Ų8761 Ų6133%0.32831%0.306SS..Hα-helixtrans-60.9-37171-172.7-177.777109.4-6.2113.4K489 E490 R497K489-R493 VanDerWaalsContact O-CB 3.26Å; K489-R493 WeakPolarHBondContact O-CB 3.41Å; K489-R493 PolarHBondContact O-N 2.98Å; E490-R493 WeakPolarHBondContact OE1-CD 3.43Å; E490-R493 IonicContact OE1-CZ 2.63Å; E490-R493 IonicContact OE1-NE 2.65Å; E490-R493 PolarHBondContact OE1-NE 3.09Å; E490-R493 IonicContact OE1-NH2 2.67Å; E490-R493 IonicContact OE2-CZ 3.4Å; E490-R493 IonicContact OE2-NE 3.57Å; E490-R493 PolarHBondContact OE2-NE 3.02Å; E490-R493 VanDerWaalsContact OE2-NE 3.16Å; E490-R493 IonicContact OE2-NH2 2.72Å; E490-R493 PolarHBondContact OE2-NH2 3.37Å; R493-R497 PolarHBondContact O-N 3.24Å
494A81.1Confident83.6Confident5 Ų556.4 Ų56.44%0.04129%0.286CS..Hα-helixtrans-72.2-40.2179.200000112.2E490 C491 I492 R497 N498 K499 T502E490-A494 WeakPolarHBondContact O-CB 3.46Å; E490-A494 PolarHBondContact O-N 2.82Å; C491-A494 PolarHBondContact O-N 3.14Å; I492-A494 VanDerWaalsContact C-N 3.34Å; I492-A494 PolarHBondContact O-N 3.23Å; A494-R497 PolarHBondContact O-N 2.99Å; A494-N498 PolarHBondContact O-N 3.26Å; A494-K499 HydrophobicContact CB-CB 4.2Å; A494-K499 HydrophobicContact CB-CD 4.14Å; A494-K499 HydrophobicContact CB-CG 4.47Å; A494-K499 WeakPolarHBondContact O-CB 3.35Å; A494-K499 PolarHBondContact O-N 3.38Å; A494-T502 HydrophobicContact CB-CG2 4.17Å
495L76.6Confident83.5Confident46 Ų4663.7 Ų63.724%0.24131%0.312CS..Hα-helixtrans-58.8-50.2172.3-68.4167.5000111.1C491 I492 R497 N498 T502 F504 F517 I518C491-L495 WeakPolarHBondContact O-CG 3.23Å; C491-L495 PolarHBondContact O-N 2.95Å; I492-L495 PolarHBondContact O-N 3.2Å; L495-R497 VanDerWaalsContact C-N 3.31Å; L495-R497 PolarHBondContact O-N 2.79Å; L495-N498 WeakPolarHBondContact O-CA 3.45Å; L495-N498 PolarHBondContact O-N 3.41Å; L495-T502 HydrophobicContact CD2-CG2 4.15Å; L495-T502 HydrophobicContact CG-CG2 3.97Å; L495-F504 HydrophobicContact CD1-CZ 4.1Å; L495-F504 HydrophobicContact CD2-CE2 4.48Å; L495-F504 HydrophobicContact CD2-CZ 4.22Å; L495-F504 HydrophobicContact CG-CZ 4.44Å; L495-F517 HydrophobicContact CD1-CB 3.78Å; L495-F517 HydrophobicContact CD1-CD1 4.13Å; L495-F517 HydrophobicContact CD1-CG 4.09Å; L495-I518 HydrophobicContact CD2-CG2 4.19Å
496G67.4Low83.6Confident27 Ų2766.2 Ų66.228%0.27833%0.334SS..Hα-helixtrans-59.1-36.2-179.200000115.3I492 N498I492-G496 PolarHBondContact O-N 2.94Å; I492-G496 VanDerWaalsContact O-N 3.08Å; G496-N498 PolarHBondContact O-N 3.23Å
497R78.5Confident83.8Confident173 Ų17361.9 Ų61.965%0.65331%0.312SS*.THydrogen-bonded Turntrans-8614.1174.1-62.8-175.1-177.6-163.8-0.6113R493 A494 L495 K499R493-R497 PolarHBondContact O-N 3.24Å; A494-R497 PolarHBondContact O-N 2.99Å; L495-R497 VanDerWaalsContact C-N 3.31Å; L495-R497 PolarHBondContact O-N 2.79Å; R497-K499 HydrophobicContact CB-CG 4.25Å; R497-K499 PolarHBondContact O-N 3.35Å; R497-K499 VanDerWaalsContact O-N 3.09Å
498N76.2Confident83.9Confident133 Ų13364.5 Ų64.571%0.71132%0.322SS*.THydrogen-bonded Turntrans44.240.1-175.9-72.1-60.1000113.6A494 L495 G496A494-N498 PolarHBondContact O-N 3.26Å; L495-N498 WeakPolarHBondContact O-CA 3.45Å; L495-N498 PolarHBondContact O-N 3.41Å; G496-N498 PolarHBondContact O-N 3.23Å
499K80.3Confident84Confident92 Ų9264.6 Ų64.640%0.432%0.322SS..  trans-66.8129.5-177.9-73.5-166.5171.5-169.20110.3A494 R497 H501A494-K499 HydrophobicContact CB-CB 4.2Å; A494-K499 HydrophobicContact CB-CD 4.14Å; A494-K499 HydrophobicContact CB-CG 4.47Å; A494-K499 WeakPolarHBondContact O-CB 3.35Å; A494-K499 PolarHBondContact O-N 3.38Å; R497-K499 HydrophobicContact CB-CG 4.25Å; R497-K499 PolarHBondContact O-N 3.35Å; R497-K499 VanDerWaalsContact O-N 3.09Å; K499-H501 PolarHBondContact O-N 2.88Å
500P81.9Confident84.3Confident146 Ų14661.4 Ų61.495%0.94831%0.309SS*.SBendtrans-55.3-26.4179.2-28.935.5000115
501H85.1Confident84.5Confident144 Ų14460.1 Ų60.167%0.66730%0.303SS*.  trans-120.4111.1172.4176.8-91.4000111K499K499-H501 PolarHBondContact O-N 2.88Å
502T86Confident84.6Confident24 Ų2461.2 Ų61.215%0.14731%0.309CS..  trans-94.2126.6170.7-670000109.7C491 A494 L495 F504C491-T502 HydrophobicContact CB-CG2 3.98Å; C491-T502 WeakPolarHBondContact O-CG2 3.49Å; A494-T502 HydrophobicContact CB-CG2 4.17Å; L495-T502 HydrophobicContact CD2-CG2 4.15Å; L495-T502 HydrophobicContact CG-CG2 3.97Å; T502-F504 HydrophobicContact CG2-CD1 4.43Å; T502-F504 HydrophobicContact CG2-CD2 3.58Å; T502-F504 HydrophobicContact CG2-CE1 4.14Å; T502-F504 HydrophobicContact CG2-CE2 3.23Å; T502-F504 HydrophobicContact CG2-CG 4.18Å; T502-F504 HydrophobicContact CG2-CZ 3.55Å; T502-F504 PolarHBondContact O-N 2.61Å
503P89.3Confident84.9Confident36 Ų3661.2 Ų61.223%0.23431%0.309CS..  trans-77.943-166.533.2-39000115.5E490 C491 R505 A506E490-P503 HydrophobicContact CB-CG 4.26Å; C491-P503 VanDerWaalsContact SG-C 3.54Å; P503-R505 PolarHBondContact O-N 3.48Å; P503-A506 VanDerWaalsContact O-CB 3.24Å; P503-A506 WeakPolarHBondContact O-CB 3.44Å; P503-A506 PolarHBondContact O-N 2.84Å
504F89.3Confident85.4Confident11 Ų1158.5 Ų58.55%0.04830%0.299CS..G310 helixtrans-52.3-29.4-177.4-71.3-70.4000114.5C491 L495 T502 A506 T510 Q511 R514 F517 I518C491-F504 HydrophobicContact CB-CD1 4.18Å; C491-F504 HydrophobicContact CB-CE1 4.11Å; C491-F504 VanDerWaalsContact SG-CA 3.58Å; L495-F504 HydrophobicContact CD1-CZ 4.1Å; L495-F504 HydrophobicContact CD2-CE2 4.48Å; L495-F504 HydrophobicContact CD2-CZ 4.22Å; L495-F504 HydrophobicContact CG-CZ 4.44Å; T502-F504 HydrophobicContact CG2-CD1 4.43Å; T502-F504 HydrophobicContact CG2-CD2 3.58Å; T502-F504 HydrophobicContact CG2-CE1 4.14Å; T502-F504 HydrophobicContact CG2-CE2 3.23Å; T502-F504 HydrophobicContact CG2-CG 4.18Å; T502-F504 HydrophobicContact CG2-CZ 3.55Å; T502-F504 PolarHBondContact O-N 2.61Å; F504-A506 PolarHBondContact O-N 3.26Å; F504-T510 WeakPolarHBondContact CD1-O 3.28Å; F504-T510 CarbonylContact O-C 3.6Å; F504-T510 VanDerWaalsContact O-C 3.27Å; F504-T510 VanDerWaalsContact O-CB 3.28Å; F504-T510 WeakPolarHBondContact O-CB 3.25Å; F504-T510 PolarHBondContact O-OG1 2.67Å; F504-Q511 WeakPolarHBondContact O-CG 3.38Å; F504-Q511 PolarHBondContact O-N 3.17Å; F504-Q511 VanDerWaalsContact O-N 3.14Å; F504-R514 HydrophobicContact CB-CB 4.15Å; F504-R514 HydrophobicContact CB-CG 4.09Å; F504-R514 HydrophobicContact CD1-CB 3.84Å; F504-R514 HydrophobicContact CD1-CG 4.05Å; F504-R514 HydrophobicContact CD2-CB 4.44Å; F504-R514 HydrophobicContact CD2-CG 3.74Å; F504-R514 HydrophobicContact CE1-CB 4.32Å; F504-R514 HydrophobicContact CE1-CG 4.4Å; F504-R514 HydrophobicContact CE2-CG 4.11Å; F504-R514 HydrophobicContact CG-CB 3.9Å; F504-R514 HydrophobicContact CG-CG 3.69Å; F504-R514 HydrophobicContact CZ-CG 4.42Å; F504-F517 HydrophobicContact CE1-CB 4.22Å; F504-F517 HydrophobicContact CE1-CD2 4.13Å; F504-F517 HydrophobicContact CZ-CB 4.06Å; F504-I518 HydrophobicContact CE2-CG2 3.4Å; F504-I518 HydrophobicContact CZ-CG2 3.51Å
505R89.4Confident85.3Confident164 Ų16459.9 Ų59.962%0.61931%0.306SS*.G310 helixtrans-70-11.5178.2-67.5-175.9-179.3158.32.9114.5E388 P503 S507 Q511E388-R505 IonicContact OE1-CZ 2.68Å; E388-R505 IonicContact OE1-NH2 3.75Å; E388-R505 PolarHBondContact OE1-NH2 2.94Å; E388-R505 IonicContact OE2-CZ 2.79Å; E388-R505 VanDerWaalsContact OE2-CZ 3.27Å; E388-R505 IonicContact OE2-NE 2.71Å; E388-R505 PolarHBondContact OE2-NE 2.81Å; E388-R505 IonicContact OE2-NH2 3.79Å; E388-R505 PolarHBondContact OE2-NH2 3.13Å; P503-R505 PolarHBondContact O-N 3.48Å; R505-S507 VanDerWaalsContact C-N 3.3Å; R505-S507 PolarHBondContact O-N 3.47Å; R505-Q511 PolarHBondContact O-NE2 3.39Å
506A90.9Very high85.4Confident57 Ų5757.9 Ų57.947%0.47130%0.296SS..G310 helixtrans-63.6-24.3-17500000115.5A487 P503 F504A487-A506 HydrophobicContact CB-CB 3.87Å; P503-A506 VanDerWaalsContact O-CB 3.24Å; P503-A506 WeakPolarHBondContact O-CB 3.44Å; P503-A506 PolarHBondContact O-N 2.84Å; F504-A506 PolarHBondContact O-N 3.26Å
507S93.5Very high85.9Confident13 Ų1357.3 Ų57.39%0.09129%0.285CS..SBendtrans-144.5162.4173.779.20000112.2R505 L509 T510 Q511R505-S507 VanDerWaalsContact C-N 3.3Å; R505-S507 PolarHBondContact O-N 3.47Å; S507-L509 VanDerWaalsContact C-N 3.31Å; S507-L509 PolarHBondContact O-N 3.12Å; S507-L509 PolarHBondContact OG-N 3.32Å; S507-T510 PolarHBondContact N-OG1 2.98Å; S507-T510 VanDerWaalsContact N-OG1 3.13Å; S507-T510 PolarHBondContact O-N 3.32Å; S507-T510 PolarHBondContact O-OG1 2.82Å; S507-T510 VanDerWaalsContact O-OG1 3.04Å; S507-T510 PolarHBondContact OG-N 3.35Å; S507-T510 PolarHBondContact OG-OG1 3.08Å; S507-Q511 VanDerWaalsContact O-CG 3.27Å; S507-Q511 WeakPolarHBondContact O-CG 3.39Å; S507-Q511 PolarHBondContact O-N 3.02Å
508K92.1Very high86.1Confident63 Ų6352.4 Ų52.427%0.27427%0.271SS..Hα-helixtrans-69.6-26.9173.2-70-53.2-172.1179.30113.4I369 G372 V374 V386 V512I369-K508 HydrophobicContact CG2-CB 4.06Å; G372-K508 WeakPolarHBondContact O-CG 3.3Å; V374-K508 HydrophobicContact CG2-CB 4.36Å; V386-K508 HydrophobicContact CB-CD 4.01Å; V386-K508 HydrophobicContact CG1-CD 4.45Å; V386-K508 HydrophobicContact CG2-CD 4.29Å; V386-K508 PolarHBondContact O-NZ 3.33Å; K508-V512 WeakPolarHBondContact O-CB 3.24Å; K508-V512 WeakPolarHBondContact O-CG2 3.4Å; K508-V512 PolarHBondContact O-N 2.95Å; K508-V512 VanDerWaalsContact O-N 3.1Å
509L91.4Very high86.1Confident2 Ų247.2 Ų47.21%0.0125%0.249CC..Hα-helixtrans-62.5-52.9171.5-174.979.4000110.6I369 H436 L458 L488 S507 Q511 V512 L513I369-L509 HydrophobicContact CD1-CB 4.45Å; I369-L509 HydrophobicContact CD1-CD1 4.25Å; H436-L509 HydrophobicContact CB-CD1 3.91Å; L458-L509 HydrophobicContact CD2-CD1 3.72Å; L458-L509 HydrophobicContact CD2-CD2 3.97Å; L458-L509 HydrophobicContact CD2-CG 4.46Å; L488-L509 HydrophobicContact CB-CD2 4.35Å; L488-L509 HydrophobicContact CD2-CD2 4.17Å; S507-L509 VanDerWaalsContact C-N 3.31Å; S507-L509 PolarHBondContact O-N 3.12Å; S507-L509 PolarHBondContact OG-N 3.32Å; L509-Q511 VanDerWaalsContact C-N 3.34Å; L509-Q511 PolarHBondContact O-N 3.3Å; L509-V512 PolarHBondContact O-N 2.76Å; L509-L513 HydrophobicContact CD1-CD1 4.33Å; L509-L513 HydrophobicContact CD2-CD1 4.34Å; L509-L513 HydrophobicContact CG-CD1 3.89Å; L509-L513 WeakPolarHBondContact O-CB 3.36Å; L509-L513 WeakPolarHBondContact O-CG 3.48Å; L509-L513 PolarHBondContact O-N 2.63Å
510T91.2Very high86Confident1 Ų151.7 Ų51.71%0.00627%0.271CS..Hα-helixtrans-68.9-29.4-178.751.60000113.3A487 L488 C491 F504 S507 R514A487-T510 HydrophobicContact CB-CG2 3.96Å; L488-T510 HydrophobicContact CB-CG2 4.1Å; L488-T510 HydrophobicContact CD1-CG2 4.22Å; C491-T510 HydrophobicContact CB-CG2 4.41Å; F504-T510 WeakPolarHBondContact CD1-O 3.28Å; F504-T510 CarbonylContact O-C 3.6Å; F504-T510 VanDerWaalsContact O-C 3.27Å; F504-T510 VanDerWaalsContact O-CB 3.28Å; F504-T510 WeakPolarHBondContact O-CB 3.25Å; F504-T510 PolarHBondContact O-OG1 2.67Å; S507-T510 PolarHBondContact N-OG1 2.98Å; S507-T510 VanDerWaalsContact N-OG1 3.13Å; S507-T510 PolarHBondContact O-N 3.32Å; S507-T510 PolarHBondContact O-OG1 2.82Å; S507-T510 VanDerWaalsContact O-OG1 3.04Å; S507-T510 PolarHBondContact OG-N 3.35Å; S507-T510 PolarHBondContact OG-OG1 3.08Å; T510-R514 PolarHBondContact O-N 3.42Å; T510-R514 VanDerWaalsContact O-N 3.07Å
511Q90.6Very high86.2Confident35 Ų3550 Ų5016%0.16425%0.254CS..Hα-helixtrans-63.6-52.5169.6-72.8173.72600110.6V386 V394 F504 R505 S507 L509 L513 R514V386-Q511 HydrophobicContact CG1-CB 4.21Å; V394-Q511 HydrophobicContact CG1-CB 4.33Å; V394-Q511 WeakPolarHBondContact CG1-O 3.25Å; V394-Q511 WeakPolarHBondContact CG2-O 3.28Å; F504-Q511 WeakPolarHBondContact O-CG 3.38Å; F504-Q511 PolarHBondContact O-N 3.17Å; F504-Q511 VanDerWaalsContact O-N 3.14Å; R505-Q511 PolarHBondContact O-NE2 3.39Å; S507-Q511 VanDerWaalsContact O-CG 3.27Å; S507-Q511 WeakPolarHBondContact O-CG 3.39Å; S507-Q511 PolarHBondContact O-N 3.02Å; L509-Q511 VanDerWaalsContact C-N 3.34Å; L509-Q511 PolarHBondContact O-N 3.3Å; Q511-L513 VanDerWaalsContact C-N 3.27Å; Q511-L513 PolarHBondContact O-N 3.44Å; Q511-R514 WeakPolarHBondContact O-CB 3.31Å; Q511-R514 PolarHBondContact O-N 3.28Å
512V88.6Confident86.3Confident24 Ų2443.3 Ų43.315%0.14522%0.224CC..Hα-helixtrans-61.8-34.3178.7167.30000112.4F367 I369 V386 V396 K508 L509F367-V512 HydrophobicContact CE2-CG1 4.15Å; F367-V512 HydrophobicContact CE2-CG2 4.46Å; F367-V512 HydrophobicContact CZ-CG1 3.83Å; I369-V512 HydrophobicContact CD1-CB 4.38Å; I369-V512 HydrophobicContact CD1-CG2 4.19Å; V386-V512 HydrophobicContact CG1-CG2 4.35Å; V386-V512 HydrophobicContact CG2-CG2 4.2Å; V396-V512 HydrophobicContact CG2-CG2 4.19Å; K508-V512 WeakPolarHBondContact O-CB 3.24Å; K508-V512 WeakPolarHBondContact O-CG2 3.4Å; K508-V512 PolarHBondContact O-N 2.95Å; K508-V512 VanDerWaalsContact O-N 3.1Å; L509-V512 PolarHBondContact O-N 2.76Å
513L86.3Confident86.5Confident2 Ų245.7 Ų45.71%0.0123%0.231CC..Hα-helixtrans-79.5-20.2179.9-82173.3000115T308 I456 L488 L509 Q511 D515 S516 F517T308-L513 HydrophobicContact CG2-CD2 3.86Å; I456-L513 HydrophobicContact CD1-CD2 3.47Å; I456-L513 VanDerWaalsContact CD1-CD2 3.47Å; I456-L513 HydrophobicContact CD1-CG 4.34Å; L488-L513 HydrophobicContact CD1-CD1 3.69Å; L509-L513 HydrophobicContact CD1-CD1 4.33Å; L509-L513 HydrophobicContact CD2-CD1 4.34Å; L509-L513 HydrophobicContact CG-CD1 3.89Å; L509-L513 WeakPolarHBondContact O-CB 3.36Å; L509-L513 WeakPolarHBondContact O-CG 3.48Å; L509-L513 PolarHBondContact O-N 2.63Å; Q511-L513 VanDerWaalsContact C-N 3.27Å; Q511-L513 PolarHBondContact O-N 3.44Å; L513-D515 VanDerWaalsContact C-N 3.34Å; L513-D515 PolarHBondContact O-N 3.39Å; L513-D515 VanDerWaalsContact O-N 3.15Å; L513-S516 WeakPolarHBondContact O-CA 3.49Å; L513-S516 WeakPolarHBondContact O-CB 3.24Å; L513-S516 PolarHBondContact O-N 3.12Å; L513-S516 PolarHBondContact O-OG 2.74Å; L513-F517 HydrophobicContact CB-CD2 4.27Å; L513-F517 HydrophobicContact CB-CE2 4.01Å; L513-F517 HydrophobicContact CD1-CE2 4.26Å; L513-F517 HydrophobicContact CD2-CE2 4.47Å
514R87.1Confident86.6Confident30 Ų3044.2 Ų44.211%0.11322%0.221CC..Hα-helixtrans-43.5-55.2-167.8176.5172.1173.7-84.713.4113.8Q392 V394 F504 T510 Q511 S516 F517 I518Q392-R514 PolarHBondContact O-NH1 2.83Å; V394-R514 HydrophobicContact CG2-CB 4.44Å; F504-R514 HydrophobicContact CB-CB 4.15Å; F504-R514 HydrophobicContact CB-CG 4.09Å; F504-R514 HydrophobicContact CD1-CB 3.84Å; F504-R514 HydrophobicContact CD1-CG 4.05Å; F504-R514 HydrophobicContact CD2-CB 4.44Å; F504-R514 HydrophobicContact CD2-CG 3.74Å; F504-R514 HydrophobicContact CE1-CB 4.32Å; F504-R514 HydrophobicContact CE1-CG 4.4Å; F504-R514 HydrophobicContact CE2-CG 4.11Å; F504-R514 HydrophobicContact CG-CB 3.9Å; F504-R514 HydrophobicContact CG-CG 3.69Å; F504-R514 HydrophobicContact CZ-CG 4.42Å; T510-R514 PolarHBondContact O-N 3.42Å; T510-R514 VanDerWaalsContact O-N 3.07Å; Q511-R514 WeakPolarHBondContact O-CB 3.31Å; Q511-R514 PolarHBondContact O-N 3.28Å; R514-S516 PolarHBondContact O-N 3.19Å; R514-S516 VanDerWaalsContact O-N 3.16Å; R514-F517 PolarHBondContact O-N 3.2Å; R514-I518 HydrophobicContact CG-CD1 3.84Å; R514-I518 HydrophobicContact CG-CG1 4.33Å; R514-I518 VanDerWaalsContact CZ-CD1 3.41Å; R514-I518 PolarHBondContact O-N 2.95Å; R514-I518 VanDerWaalsContact O-N 3.15Å
515D80.6Confident86.9Confident35 Ų3543.8 Ų43.819%0.18722%0.219CC..Hα-helixtrans-65.2-22.4-173.5-57.1-6.7000112.2L513 F517 G519 S522L513-D515 VanDerWaalsContact C-N 3.34Å; L513-D515 PolarHBondContact O-N 3.39Å; L513-D515 VanDerWaalsContact O-N 3.15Å; D515-F517 VanDerWaalsContact C-N 3.35Å; D515-G519 PolarHBondContact O-N 3.48Å; D515-G519 VanDerWaalsContact O-N 3.14Å; D515-S522 PolarHBondContact O-OG 3.29Å; D515-S522 VanDerWaalsContact O-OG 3.12Å
516S77.8Confident87.1Confident4 Ų436 Ų363%0.02819%0.189CC..Hα-helixtrans-73.4-23.5176.2-44.20000113.8T308 L513 R514 S522 T524T308-S516 VanDerWaalsContact OG1-CB 3.27Å; T308-S516 WeakPolarHBondContact OG1-CB 3.39Å; T308-S516 PolarHBondContact OG1-OG 2.93Å; L513-S516 WeakPolarHBondContact O-CA 3.49Å; L513-S516 WeakPolarHBondContact O-CB 3.24Å; L513-S516 PolarHBondContact O-N 3.12Å; L513-S516 PolarHBondContact O-OG 2.74Å; R514-S516 PolarHBondContact O-N 3.19Å; R514-S516 VanDerWaalsContact O-N 3.16Å; S516-S522 WeakPolarHBondContact O-CB 3.41Å; S516-T524 PolarHBondContact O-OG1 2.67Å
517F78.8Confident87.5Confident14 Ų1433.2 Ų33.26%0.06117%0.167CC..Hα-helixtrans-96.9-43.2178.8-72.4-74.4000111.6R223 F310 L488 I492 L495 F504 L513 R514 D515 T524R223-F517 PolarHBondContact NH2-O 3.14Å; F310-F517 HydrophobicContact CE1-CZ 4.32Å; L488-F517 HydrophobicContact CD1-CE2 4.01Å; L488-F517 HydrophobicContact CD1-CZ 4.19Å; I492-F517 HydrophobicContact CD1-CE1 3.98Å; I492-F517 HydrophobicContact CD1-CZ 3.73Å; I492-F517 HydrophobicContact CG1-CE1 3.97Å; I492-F517 HydrophobicContact CG1-CZ 3.96Å; L495-F517 HydrophobicContact CD1-CB 3.78Å; L495-F517 HydrophobicContact CD1-CD1 4.13Å; L495-F517 HydrophobicContact CD1-CG 4.09Å; F504-F517 HydrophobicContact CE1-CB 4.22Å; F504-F517 HydrophobicContact CE1-CD2 4.13Å; F504-F517 HydrophobicContact CZ-CB 4.06Å; L513-F517 HydrophobicContact CB-CD2 4.27Å; L513-F517 HydrophobicContact CB-CE2 4.01Å; L513-F517 HydrophobicContact CD1-CE2 4.26Å; L513-F517 HydrophobicContact CD2-CE2 4.47Å; R514-F517 PolarHBondContact O-N 3.2Å; D515-F517 VanDerWaalsContact C-N 3.35Å; F517-T524 HydrophobicContact CE1-CG2 4.15Å; F517-T524 HydrophobicContact CZ-CG2 4.5Å
518I81.4Confident87.7Confident71 Ų7132.6 Ų32.636%0.36416%0.163SC..Hα-helixtrans-92.6-20.9-172.372.4175.3000115.1L495 F504 R514L495-I518 HydrophobicContact CD2-CG2 4.19Å; F504-I518 HydrophobicContact CE2-CG2 3.4Å; F504-I518 HydrophobicContact CZ-CG2 3.51Å; R514-I518 HydrophobicContact CG-CD1 3.84Å; R514-I518 HydrophobicContact CG-CG1 4.33Å; R514-I518 VanDerWaalsContact CZ-CD1 3.41Å; R514-I518 PolarHBondContact O-N 2.95Å; R514-I518 VanDerWaalsContact O-N 3.15Å
519G77.1Confident88Confident24 Ų2429.6 Ų29.625%0.24715%0.15CC..SBendtrans-65.5139-17700000111.3D515 N521 S522D515-G519 PolarHBondContact O-N 3.48Å; D515-G519 VanDerWaalsContact O-N 3.14Å; G519-N521 PolarHBondContact O-N 3.39Å; G519-S522 VanDerWaalsContact C-OG 3.22Å; G519-S522 WeakPolarHBondContact CA-OG 3.27Å; G519-S522 PolarHBondContact N-OG 2.96Å; G519-S522 WeakPolarHBondContact O-CB 3.36Å; G519-S522 PolarHBondContact O-N 3.42Å; G519-S522 VanDerWaalsContact O-N 3.07Å; G519-S522 PolarHBondContact O-OG 3.19Å
520E77.2Confident88.3Confident185 Ų18529.5 Ų29.586%0.86415%0.149SC*.THydrogen-bonded Turntrans-53.8-53.4-175.8-63.4164.917100111.7S522E520-S522 VanDerWaalsContact C-N 3.26Å; E520-S522 PolarHBondContact O-N 3.26Å
521N85.8Confident88.6Confident110 Ų11029.5 Ų29.559%0.58815%0.149SC*.THydrogen-bonded Turntrans-89.543.5176.4-66-8.6000112.3G305 M306 G519G305-N521 CarbonylContact C-O 3.59Å; G305-N521 WeakPolarHBondContact CA-O 3.03Å; M306-N521 PolarHBondContact N-O 2.87Å; G519-N521 PolarHBondContact O-N 3.39Å
522S88Confident88.9Confident5 Ų527.9 Ų27.94%0.03514%0.141CC..EExtended strand (participates in β ladder)trans-108129.8177.9-44.70000112.7M306 D515 S516 G519 E520M306-S522 VanDerWaalsContact O-CA 3.27Å; M306-S522 WeakPolarHBondContact O-CA 3.35Å; D515-S522 PolarHBondContact O-OG 3.29Å; D515-S522 VanDerWaalsContact O-OG 3.12Å; S516-S522 WeakPolarHBondContact O-CB 3.41Å; G519-S522 VanDerWaalsContact C-OG 3.22Å; G519-S522 WeakPolarHBondContact CA-OG 3.27Å; G519-S522 PolarHBondContact N-OG 2.96Å; G519-S522 WeakPolarHBondContact O-CB 3.36Å; G519-S522 PolarHBondContact O-N 3.42Å; G519-S522 VanDerWaalsContact O-N 3.07Å; G519-S522 PolarHBondContact O-OG 3.19Å; E520-S522 VanDerWaalsContact C-N 3.26Å; E520-S522 PolarHBondContact O-N 3.26Å
523R90.4Very high89.3Confident74 Ų7426.7 Ų26.728%0.27913%0.134SC..EExtended strand (participates in β ladder)trans-120.1137.5171.6-64.7-170.1-178.4-176.5-7.2110.5E221 R223 L297 T300 M306 A307 T308E221-R523 IonicContact OE2-CZ 4Å; E221-R523 IonicContact OE2-NH1 2.86Å; E221-R523 PolarHBondContact OE2-NH1 3.01Å; E221-R523 IonicContact OE2-NH2 3.26Å; E221-R523 PolarHBondContact OE2-NH2 3.04Å; R223-R523 WeakPolarHBondContact O-CA 3.4Å; L297-R523 HydrophobicContact CD2-CB 3.46Å; L297-R523 VanDerWaalsContact CD2-CB 3.46Å; T300-R523 HydrophobicContact CG2-CB 4.33Å; T300-R523 HydrophobicContact CG2-CG 4.23Å; M306-R523 PolarHBondContact O-N 2.95Å; A307-R523 WeakPolarHBondContact CA-O 3.13Å; T308-R523 PolarHBondContact N-O 3.22Å
524T91.5Very high89.7Confident5 Ų528.7 Ų28.73%0.03114%0.144CC..EExtended strand (participates in β ladder)trans-127.3139.7-176.3-71.20000111.1R223 I224 C225 T308 F310 S516 F517R223-T524 PolarHBondContact O-N 3.14Å; I224-T524 CarbonylContact C-O 3.59Å; I224-T524 WeakPolarHBondContact CA-O 3.45Å; C225-T524 PolarHBondContact N-O 3.14Å; T308-T524 CarbonylContact O-C 3.52Å; T308-T524 VanDerWaalsContact O-CA 3.27Å; T308-T524 WeakPolarHBondContact O-CA 3.44Å; F310-T524 HydrophobicContact CD1-CG2 4.16Å; F310-T524 HydrophobicContact CE1-CG2 3.74Å; S516-T524 PolarHBondContact O-OG1 2.67Å; F517-T524 HydrophobicContact CE1-CG2 4.15Å; F517-T524 HydrophobicContact CZ-CG2 4.5Å
525C94.4Very high89.9Confident1 Ų131.3 Ų31.31%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-121.5131.5169.3-179.70000111.1C225 T293 L297 T308 C309 F310C225-C525 HydrophobicContact CB-CB 4.42Å; C225-C525 CarbonylContact O-C 3.55Å; C225-C525 VanDerWaalsContact O-CA 3.27Å; C225-C525 WeakPolarHBondContact O-CA 3.45Å; T293-C525 VanDerWaalsContact CB-SG 3.56Å; L297-C525 HydrophobicContact CD1-CB 3.71Å; T308-C525 PolarHBondContact O-N 2.9Å; C309-C525 VanDerWaalsContact CA-O 3.31Å; C309-C525 WeakPolarHBondContact CA-O 3.38Å; F310-C525 PolarHBondContact N-O 3.4Å
526M95.3Very high90.5Very high0 Ų030.3 Ų30.30%017%0.168CC..EExtended strand (participates in β ladder)trans-104.8123.9171.4175.7172.3177.100109.6C225 V226 C227 F310 Y312 A528 Y546 A547 V550C225-M526 PolarHBondContact O-N 3.34Å; V226-M526 HydrophobicContact CG1-CB 4.35Å; V226-M526 HydrophobicContact CG1-CG 4.38Å; V226-M526 HydrophobicContact CG1-SD 4.26Å; V226-M526 HydrophobicContact CG2-CB 4.4Å; C227-M526 PolarHBondContact N-O 3.15Å; F310-M526 HydrophobicContact CD2-CG 4.26Å; F310-M526 HydrophobicContact CE1-CB 4.01Å; F310-M526 HydrophobicContact CE2-CB 3.9Å; F310-M526 HydrophobicContact CE2-CE 4.41Å; F310-M526 HydrophobicContact CE2-CG 3.51Å; F310-M526 HydrophobicContact CE2-SD 3.85Å; F310-M526 HydrophobicContact CZ-CB 3.59Å; F310-M526 HydrophobicContact CZ-CG 3.68Å; F310-M526 HydrophobicContact CZ-SD 3.87Å; Y312-M526 HydrophobicContact CD1-CE 3.6Å; Y312-M526 HydrophobicContact CE1-CE 4.4Å; Y312-M526 HydrophobicContact CG-CE 3.94Å; M526-A528 HydrophobicContact CE-CB 4.33Å; M526-Y546 HydrophobicContact CE-CD1 3.71Å; M526-Y546 HydrophobicContact CE-CE1 3.82Å; M526-A547 HydrophobicContact CE-CB 3.85Å; M526-A547 HydrophobicContact SD-CB 4.47Å; M526-V550 HydrophobicContact SD-CB 3.83Å; M526-V550 HydrophobicContact SD-CG1 3.9Å; M526-V550 HydrophobicContact SD-CG2 3.68Å
527I98.1Very high91.4Very high0 Ų030.6 Ų30.60%017%0.17CC..EExtended strand (participates in β ladder)trans-105.994.8170.7-49.4179.8000107.8V289 T293 F310 A311 Y312 T322 I338 T529V289-I527 HydrophobicContact CG1-CD1 4.1Å; V289-I527 HydrophobicContact CG1-CG2 4.4Å; T293-I527 HydrophobicContact CG2-CD1 3.97Å; T293-I527 HydrophobicContact CG2-CG1 3.93Å; F310-I527 PolarHBondContact O-N 3.16Å; A311-I527 CarbonylContact C-O 3.46Å; A311-I527 WeakPolarHBondContact CA-O 3.49Å; Y312-I527 PolarHBondContact N-O 2.91Å; T322-I527 HydrophobicContact CG2-CD1 4.27Å; T322-I527 HydrophobicContact CG2-CG2 4.48Å; I338-I527 HydrophobicContact CD1-CD1 3.62Å; I527-T529 HydrophobicContact CG2-CG2 4.17Å
528A98.1Very high92Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-69.3134.3166.900000109.2C227 V228 R229 Y312 M526 T543 A547C227-A528 WeakPolarHBondContact O-CB 3.5Å; C227-A528 PolarHBondContact O-N 2.89Å; V228-A528 CarbonylContact C-O 3.59Å; V228-A528 WeakPolarHBondContact CA-O 3.37Å; V228-A528 HydrophobicContact CG2-CB 4.01Å; R229-A528 PolarHBondContact N-O 2.94Å; Y312-A528 CarbonylContact O-C 3.55Å; M526-A528 HydrophobicContact CE-CB 4.33Å; A528-T543 HydrophobicContact CB-CG2 4.2Å; A528-A547 HydrophobicContact CB-CB 3.97Å
529T98.1Very high92.6Very high0 Ų032.1 Ų32.10%018%0.176CC..EExtended strand (participates in β ladder)trans-123.8131-179.552.20000108.7R229 Y312 S317 K319 I527R229-T529 HydrophobicContact CB-CG2 4.41Å; R229-T529 WeakPolarHBondContact O-CA 3.27Å; Y312-T529 PolarHBondContact O-N 2.88Å; Y312-T529 PolarHBondContact O-OG1 3.14Å; S317-T529 VanDerWaalsContact CB-O 3.27Å; S317-T529 WeakPolarHBondContact CB-O 3.26Å; S317-T529 WeakPolarHBondContact CB-OG1 3.13Å; S317-T529 PolarHBondContact OG-OG1 3.43Å; K319-T529 WeakPolarHBondContact CG-OG1 3.41Å; I527-T529 HydrophobicContact CG2-CG2 4.17Å
530I98.3Very high93.5Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-129.1144.5-170.361.2174.8000112V228 R229 K230 R231 I246 V254 T540 T543 L544V228-I530 HydrophobicContact CG1-CD1 3.65Å; V228-I530 HydrophobicContact CG1-CG1 4.03Å; V228-I530 HydrophobicContact CG1-CG2 4.44Å; R229-I530 PolarHBondContact O-N 3.49Å; K230-I530 HydrophobicContact CB-CG1 4.43Å; R231-I530 PolarHBondContact N-O 2.84Å; I246-I530 HydrophobicContact CG2-CD1 3.68Å; V254-I530 HydrophobicContact CG1-CD1 4.08Å; I530-T540 HydrophobicContact CB-CG2 3.76Å; I530-T540 HydrophobicContact CD1-CG2 4.11Å; I530-T540 HydrophobicContact CG1-CG2 4.47Å; I530-T540 HydrophobicContact CG2-CG2 3.88Å; I530-T543 HydrophobicContact CG2-CG2 3.96Å; I530-L544 HydrophobicContact CD1-CD2 4.37Å; I530-L544 HydrophobicContact CG2-CD2 4.24Å; I530-L544 HydrophobicContact CG2-CG 4.28Å
531S96.9Very high94.4Very high1 Ų122.3 Ų22.31%0.00712%0.124CC..  trans-85.9136.2172.9-69.20000109.3R231 Q314 S536 T540R231-S531 PolarHBondContact NH2-OG 3.09Å; Q314-S531 PolarHBondContact NE2-OG 2.85Å; Q314-S531 VanDerWaalsContact NE2-OG 3.08Å; Q314-S531 PolarHBondContact OE1-OG 2.84Å; S531-S536 VanDerWaalsContact CB-CB 3.49Å; S531-T540 PolarHBondContact O-OG1 2.91Å; S531-T540 VanDerWaalsContact O-OG1 3.12Å
532P97.4Very high94.7Very high0 Ų020 Ų200%011%0.112CC..  trans-76.5-23.3179.731.2-37.3000113.8K230 R231 L233 D244 V245K230-P532 HydrophobicContact CG-CB 4.46Å; R231-P532 VanDerWaalsContact O-CD 3.26Å; R231-P532 WeakPolarHBondContact O-CD 3.42Å; R231-P532 WeakPolarHBondContact O-CG 3.33Å; L233-P532 HydrophobicContact CB-CG 4.47Å; L233-P532 HydrophobicContact CD2-CB 4.37Å; L233-P532 HydrophobicContact CD2-CG 3.76Å; L233-P532 HydrophobicContact CG-CB 4.4Å; L233-P532 HydrophobicContact CG-CG 3.83Å; D244-P532 WeakPolarHBondContact CA-O 3.18Å; D244-P532 HydrophobicContact CB-CB 4.4Å; D244-P532 VanDerWaalsContact OD1-CB 3.26Å; D244-P532 WeakPolarHBondContact OD1-CB 3.34Å; V245-P532 WeakPolarHBondContact CG2-O 3.49Å; V245-P532 PolarHBondContact N-O 3.08Å
533G96.4Very high95.1Very high0 Ų019.8 Ų19.80%011%0.11CC..BIsolated β-bridgetrans-63.8140-172.200000113.8D242 L243 A535 S536D242-G533 WeakPolarHBondContact OD2-CA 3.41Å; L243-G533 CarbonylContact O-C 3.5Å; L243-G533 VanDerWaalsContact O-CA 3.32Å; L243-G533 WeakPolarHBondContact O-CA 3.47Å; G533-A535 PolarHBondContact O-N 2.8Å; G533-S536 CarbonylContact O-C 3.55Å; G533-S536 WeakPolarHBondContact O-CA 3.12Å; G533-S536 WeakPolarHBondContact O-CB 3.41Å; G533-S536 PolarHBondContact O-N 2.93Å
534M95.1Very high95.4Very high44 Ų4416.2 Ų16.222%0.21710%0.097CC..G310 helixtrans-55.9-38.4176.9-169.2178.374.300111.4N194 I197 D242 L243 V245 P259 S536 C537N194-M534 HydrophobicContact CB-CE 4.49Å; I197-M534 HydrophobicContact CD1-SD 4.28Å; I197-M534 HydrophobicContact CG2-SD 4.36Å; D242-M534 VanDerWaalsContact OD1-CB 3.31Å; D242-M534 WeakPolarHBondContact OD1-CB 3.38Å; D242-M534 PolarHBondContact OD1-N 2.89Å; L243-M534 HydrophobicContact CB-CB 4.29Å; L243-M534 HydrophobicContact CD1-SD 4.38Å; L243-M534 PolarHBondContact O-N 3.31Å; V245-M534 HydrophobicContact CG1-CB 3.73Å; V245-M534 HydrophobicContact CG1-CG 3.86Å; P259-M534 HydrophobicContact CG-CG 3.8Å; P259-M534 HydrophobicContact CG-SD 3.79Å; M534-S536 PolarHBondContact O-N 2.98Å; M534-S536 VanDerWaalsContact O-N 3.08Å; M534-C537 VanDerWaalsContact O-CB 3.27Å; M534-C537 WeakPolarHBondContact O-CB 3.44Å; M534-C537 PolarHBondContact O-N 2.83Å
535A91.8Very high95.5Very high84 Ų8420.6 Ų20.669%0.69411%0.113SC*.G310 helixtrans-63.4-10.7174.500000114.3D242 G533D242-A535 PolarHBondContact OD1-N 3.31Å; G533-A535 PolarHBondContact O-N 2.8Å
536S93.4Very high95.2Very high14 Ų1421 Ų2110%0.09811%0.114CC..G310 helixtrans-112.512.5175.5-70.20000113.6Q314 S531 G533 M534 E538 N539 T540Q314-S536 PolarHBondContact NE2-OG 2.94Å; S531-S536 VanDerWaalsContact CB-CB 3.49Å; G533-S536 CarbonylContact O-C 3.55Å; G533-S536 WeakPolarHBondContact O-CA 3.12Å; G533-S536 WeakPolarHBondContact O-CB 3.41Å; G533-S536 PolarHBondContact O-N 2.93Å; M534-S536 PolarHBondContact O-N 2.98Å; M534-S536 VanDerWaalsContact O-N 3.08Å; S536-E538 PolarHBondContact O-N 2.92Å; S536-N539 PolarHBondContact O-N 2.82Å; S536-T540 VanDerWaalsContact O-CB 3.31Å; S536-T540 WeakPolarHBondContact O-CB 3.49Å; S536-T540 PolarHBondContact O-N 2.74Å; S536-T540 PolarHBondContact O-OG1 2.67Å; S536-T540 VanDerWaalsContact O-OG1 3.05Å
537C95.1Very high95.1Very high11 Ų1121 Ų217%0.07411%0.114CC..Hα-helixtrans-59.8-45.2-175.2-168.40000112.5V245 M534 T540 L541V245-C537 HydrophobicContact CG2-CB 4.33Å; M534-C537 VanDerWaalsContact O-CB 3.27Å; M534-C537 WeakPolarHBondContact O-CB 3.44Å; M534-C537 PolarHBondContact O-N 2.83Å; C537-T540 PolarHBondContact O-N 3.27Å; C537-L541 WeakPolarHBondContact O-CG 3.32Å; C537-L541 PolarHBondContact O-N 3.29Å
538E92.8Very high94.7Very high91 Ų9123.5 Ų23.543%0.42513%0.128SC..Hα-helixtrans-63.4-46.3178.9-159.4-145.3118.900112.2R463 S536 T540 L541 N542R463-E538 WeakPolarHBondContact CD-OE1 3.38Å; R463-E538 IonicContact CZ-OE1 3.04Å; R463-E538 IonicContact NE-OE1 3.78Å; R463-E538 IonicContact NH1-OE1 2.67Å; R463-E538 PolarHBondContact NH1-OE1 3.13Å; R463-E538 IonicContact NH1-OE2 3.2Å; R463-E538 PolarHBondContact NH1-OE2 3.17Å; S536-E538 PolarHBondContact O-N 2.92Å; E538-T540 VanDerWaalsContact C-N 3.27Å; E538-T540 PolarHBondContact O-N 3.45Å; E538-L541 PolarHBondContact O-N 2.98Å; E538-N542 WeakPolarHBondContact O-CB 3.44Å; E538-N542 PolarHBondContact O-N 3.45Å; E538-N542 PolarHBondContact O-ND2 3.08Å; E538-N542 PolarHBondContact OE1-ND2 3.48Å
539N92.5Very high94Very high26 Ų2630.5 Ų30.514%0.13915%0.154CC..Hα-helixtrans-64.5-33.9178.2-53.598.8000111.6Q314 S536 T543Q314-N539 HydrophobicContact CB-CB 4.14Å; S536-N539 PolarHBondContact O-N 2.82Å; N539-T543 WeakPolarHBondContact O-CB 3.36Å; N539-T543 PolarHBondContact O-N 3.43Å; N539-T543 PolarHBondContact O-OG1 2.95Å
540T96.4Very high93.4Very high0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-69.6-47.5175.7-69.20000111.7I246 I530 S531 S536 C537 E538 N542 T543 L544I246-T540 HydrophobicContact CD1-CG2 3.61Å; I246-T540 HydrophobicContact CG1-CG2 4.38Å; I530-T540 HydrophobicContact CB-CG2 3.76Å; I530-T540 HydrophobicContact CD1-CG2 4.11Å; I530-T540 HydrophobicContact CG1-CG2 4.47Å; I530-T540 HydrophobicContact CG2-CG2 3.88Å; S531-T540 PolarHBondContact O-OG1 2.91Å; S531-T540 VanDerWaalsContact O-OG1 3.12Å; S536-T540 VanDerWaalsContact O-CB 3.31Å; S536-T540 WeakPolarHBondContact O-CB 3.49Å; S536-T540 PolarHBondContact O-N 2.74Å; S536-T540 PolarHBondContact O-OG1 2.67Å; S536-T540 VanDerWaalsContact O-OG1 3.05Å; C537-T540 PolarHBondContact O-N 3.27Å; E538-T540 VanDerWaalsContact C-N 3.27Å; E538-T540 PolarHBondContact O-N 3.45Å; T540-N542 PolarHBondContact O-N 3.06Å; T540-T543 CarbonylContact O-C 3.53Å; T540-T543 WeakPolarHBondContact O-CA 3.26Å; T540-T543 WeakPolarHBondContact O-CB 3.15Å; T540-T543 PolarHBondContact O-N 2.91Å; T540-L544 HydrophobicContact CG2-CD1 3.8Å; T540-L544 HydrophobicContact CG2-CG 4.37Å; T540-L544 WeakPolarHBondContact O-CG 3.36Å; T540-L544 PolarHBondContact O-N 3.47Å
541L96.4Very high92.6Very high3 Ų333.5 Ų33.52%0.01617%0.167CC..Hα-helixtrans-59.4-43.9173.4-74164.8000112.1V256 E258 F274 C537 E538 T543 L544 R545V256-L541 HydrophobicContact CB-CD2 4.04Å; V256-L541 HydrophobicContact CG1-CD1 4.46Å; V256-L541 HydrophobicContact CG1-CD2 3.89Å; V256-L541 HydrophobicContact CG1-CG 4.08Å; V256-L541 HydrophobicContact CG2-CD2 3.99Å; E258-L541 HydrophobicContact CB-CD1 4.32Å; E258-L541 VanDerWaalsContact CD-CD1 3.45Å; E258-L541 HydrophobicContact CG-CD1 4.07Å; E258-L541 WeakPolarHBondContact OE2-CD1 3.45Å; F274-L541 HydrophobicContact CE2-CD2 4.05Å; F274-L541 HydrophobicContact CZ-CD2 4.07Å; C537-L541 WeakPolarHBondContact O-CG 3.32Å; C537-L541 PolarHBondContact O-N 3.29Å; E538-L541 PolarHBondContact O-N 2.98Å; L541-T543 PolarHBondContact O-N 3.27Å; L541-L544 PolarHBondContact O-N 2.94Å; L541-R545 VanDerWaalsContact O-CB 3.24Å; L541-R545 WeakPolarHBondContact O-CB 3.36Å; L541-R545 WeakPolarHBondContact O-CG 3.31Å; L541-R545 PolarHBondContact O-N 3.34Å
542N93Very high91.4Very high61 Ų6138.2 Ų38.233%0.32619%0.189SC..Hα-helixtrans-62-27.6173.8-80.6-48.8000113.3E538 T540 Y546E538-N542 WeakPolarHBondContact O-CB 3.44Å; E538-N542 PolarHBondContact O-N 3.45Å; E538-N542 PolarHBondContact O-ND2 3.08Å; E538-N542 PolarHBondContact OE1-ND2 3.48Å; T540-N542 PolarHBondContact O-N 3.06Å; N542-Y546 WeakPolarHBondContact O-CB 3.34Å
543T95.4Very high89.8Confident0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-78.9-45.5175.8-610000111.4Y312 N461 A528 I530 N539 T540 L541 Y546 A547Y312-T543 HydrophobicContact CD1-CG2 3.92Å; Y312-T543 HydrophobicContact CE1-CG2 3.99Å; N461-T543 PolarHBondContact ND2-OG1 3.33Å; A528-T543 HydrophobicContact CB-CG2 4.2Å; I530-T543 HydrophobicContact CG2-CG2 3.96Å; N539-T543 WeakPolarHBondContact O-CB 3.36Å; N539-T543 PolarHBondContact O-N 3.43Å; N539-T543 PolarHBondContact O-OG1 2.95Å; T540-T543 CarbonylContact O-C 3.53Å; T540-T543 WeakPolarHBondContact O-CA 3.26Å; T540-T543 WeakPolarHBondContact O-CB 3.15Å; T540-T543 PolarHBondContact O-N 2.91Å; L541-T543 PolarHBondContact O-N 3.27Å; T543-Y546 PolarHBondContact O-N 3.25Å; T543-A547 PolarHBondContact O-N 3.35Å
544L96.8Very high87.8Confident0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-68.4-47.7179.6-67.1169.2000112.3V228 V254 V256 F274 F276 I530 T540 L541 Y546 A547 N548V228-L544 HydrophobicContact CB-CD2 4.43Å; V228-L544 HydrophobicContact CG1-CD2 3.92Å; V228-L544 HydrophobicContact CG2-CD2 3.6Å; V254-L544 HydrophobicContact CG1-CD1 4.11Å; V254-L544 HydrophobicContact CG1-CD2 4.09Å; V256-L544 HydrophobicContact CG2-CD1 3.39Å; F274-L544 HydrophobicContact CD1-CB 4.3Å; F274-L544 HydrophobicContact CD2-CB 4.16Å; F274-L544 HydrophobicContact CD2-CD1 3.97Å; F274-L544 HydrophobicContact CE1-CB 4.25Å; F274-L544 HydrophobicContact CE2-CB 4.11Å; F274-L544 HydrophobicContact CE2-CD1 4Å; F274-L544 HydrophobicContact CG-CB 4.26Å; F274-L544 HydrophobicContact CZ-CB 4.16Å; F276-L544 HydrophobicContact CE2-CD2 3.8Å; F276-L544 HydrophobicContact CZ-CD2 4.01Å; I530-L544 HydrophobicContact CD1-CD2 4.37Å; I530-L544 HydrophobicContact CG2-CD2 4.24Å; I530-L544 HydrophobicContact CG2-CG 4.28Å; T540-L544 HydrophobicContact CG2-CD1 3.8Å; T540-L544 HydrophobicContact CG2-CG 4.37Å; T540-L544 WeakPolarHBondContact O-CG 3.36Å; T540-L544 PolarHBondContact O-N 3.47Å; L541-L544 PolarHBondContact O-N 2.94Å; L544-Y546 PolarHBondContact O-N 3.27Å; L544-A547 PolarHBondContact O-N 2.87Å; L544-A547 VanDerWaalsContact O-N 3.09Å; L544-N548 PolarHBondContact O-N 3.29Å
545R93Very high85.9Confident97 Ų9744.3 Ų44.337%0.36622%0.223SC..Hα-helixtrans-60.7-25.1175.2-67.5170.9-178.4171-0.2112.5F274 L541 R549F274-R545 HydrophobicContact CE1-CG 3.89Å; F274-R545 HydrophobicContact CZ-CG 4.02Å; L541-R545 VanDerWaalsContact O-CB 3.24Å; L541-R545 WeakPolarHBondContact O-CB 3.36Å; L541-R545 WeakPolarHBondContact O-CG 3.31Å; L541-R545 PolarHBondContact O-N 3.34Å; R545-R549 WeakPolarHBondContact O-CD 3.19Å; R545-R549 WeakPolarHBondContact O-CG 3.5Å; R545-R549 PolarHBondContact O-NE 2.98Å
546Y88.7Confident83.5Confident10 Ų1042.6 Ų42.64%0.03921%0.206CC..Hα-helixtrans-79.3-46.9170.7176.8-119.7000112.3Y312 K489 M526 N542 T543 L544 N548 R549 V550Y312-Y546 AromaticContact CD1-CD1 3.79Å; Y312-Y546 HydrophobicContact CD1-CD1 3.79Å; Y312-Y546 HydrophobicContact CD1-CE1 4.19Å; Y312-Y546 HydrophobicContact CD2-CE1 4.26Å; Y312-Y546 AromaticContact CE1-CD1 3.27Å; Y312-Y546 HydrophobicContact CE1-CD1 3.27Å; Y312-Y546 AromaticContact CE1-CE1 3.92Å; Y312-Y546 HydrophobicContact CE1-CE1 3.92Å; Y312-Y546 HydrophobicContact CE1-CG 4.21Å; Y312-Y546 HydrophobicContact CE2-CD1 4.12Å; Y312-Y546 AromaticContact CE2-CE1 3.97Å; Y312-Y546 HydrophobicContact CE2-CE1 3.97Å; Y312-Y546 HydrophobicContact CG-CD1 4.41Å; Y312-Y546 HydrophobicContact CG-CE1 4.35Å; Y312-Y546 AromaticContact CZ-CD1 3.44Å; Y312-Y546 VanDerWaalsContact CZ-CD1 3.44Å; Y312-Y546 AromaticContact CZ-CE1 3.77Å; K489-Y546 HydrophobicContact CB-CD2 4.38Å; K489-Y546 HydrophobicContact CB-CE2 3.72Å; K489-Y546 HydrophobicContact CD-CD2 3.63Å; K489-Y546 HydrophobicContact CD-CE2 3.74Å; K489-Y546 HydrophobicContact CD-CG 4.27Å; K489-Y546 HydrophobicContact CG-CD2 3.87Å; K489-Y546 HydrophobicContact CG-CE2 3.39Å; M526-Y546 HydrophobicContact CE-CD1 3.71Å; M526-Y546 HydrophobicContact CE-CE1 3.82Å; N542-Y546 WeakPolarHBondContact O-CB 3.34Å; T543-Y546 PolarHBondContact O-N 3.25Å; L544-Y546 PolarHBondContact O-N 3.27Å; Y546-N548 VanDerWaalsContact C-N 3.3Å; Y546-N548 PolarHBondContact O-N 2.85Å; Y546-R549 WeakPolarHBondContact O-CB 3.43Å; Y546-R549 PolarHBondContact O-N 2.81Å; Y546-V550 HydrophobicContact CD2-CG2 4.5Å; Y546-V550 HydrophobicContact CE1-CG2 4.29Å; Y546-V550 HydrophobicContact CE2-CG2 4.05Å; Y546-V550 PolarHBondContact O-N 3.16Å
547A92.9Very high81Confident0 Ų046.4 Ų46.40%023%0.231CC..Hα-helixtrans-58.7-40.7177.700000112.2V226 F276 M526 A528 T543 L544 R549 V550 K551V226-A547 HydrophobicContact CG1-CB 3.92Å; F276-A547 HydrophobicContact CD1-CB 4.45Å; F276-A547 HydrophobicContact CE1-CB 3.52Å; F276-A547 HydrophobicContact CZ-CB 4Å; M526-A547 HydrophobicContact CE-CB 3.85Å; M526-A547 HydrophobicContact SD-CB 4.47Å; A528-A547 HydrophobicContact CB-CB 3.97Å; T543-A547 PolarHBondContact O-N 3.35Å; L544-A547 PolarHBondContact O-N 2.87Å; L544-A547 VanDerWaalsContact O-N 3.09Å; A547-R549 VanDerWaalsContact C-N 3.31Å; A547-R549 PolarHBondContact O-N 2.59Å; A547-V550 WeakPolarHBondContact O-CA 3.43Å; A547-V550 WeakPolarHBondContact O-CB 3.15Å; A547-V550 PolarHBondContact O-N 2.79Å; A547-K551 PolarHBondContact O-N 2.83Å; A547-K551 VanDerWaalsContact O-N 3.08Å
548N90.3Very high78.2Confident52 Ų5249.8 Ų49.828%0.27825%0.254SS..Hα-helixtrans-55.4-47.6176.9-16398.3000111.5L544 Y546 V550 K551 E552L544-N548 PolarHBondContact O-N 3.29Å; Y546-N548 VanDerWaalsContact C-N 3.3Å; Y546-N548 PolarHBondContact O-N 2.85Å; N548-V550 VanDerWaalsContact C-N 3.29Å; N548-V550 PolarHBondContact O-N 3.21Å; N548-K551 WeakPolarHBondContact O-CB 3.41Å; N548-K551 PolarHBondContact O-N 2.98Å; N548-E552 PolarHBondContact ND2-OE1 2.93Å; N548-E552 PolarHBondContact O-N 2.9Å
549R84.3Confident75.6Confident146 Ų14650.5 Ų50.555%0.55126%0.261SS*.Hα-helixtrans-58.1-41175-65.1169.6-170.2170.44111.7R545 Y546 A547 K551 E552 F553R545-R549 WeakPolarHBondContact O-CD 3.19Å; R545-R549 WeakPolarHBondContact O-CG 3.5Å; R545-R549 PolarHBondContact O-NE 2.98Å; Y546-R549 WeakPolarHBondContact O-CB 3.43Å; Y546-R549 PolarHBondContact O-N 2.81Å; A547-R549 VanDerWaalsContact C-N 3.31Å; A547-R549 PolarHBondContact O-N 2.59Å; R549-K551 VanDerWaalsContact C-N 3.28Å; R549-K551 PolarHBondContact O-N 3.47Å; R549-E552 WeakPolarHBondContact CA-OE1 3.37Å; R549-E552 PolarHBondContact N-OE1 3.25Å; R549-E552 WeakPolarHBondContact O-CB 3.47Å; R549-E552 PolarHBondContact O-N 2.82Å; R549-F553 WeakPolarHBondContact O-CD2 3.47Å; R549-F553 WeakPolarHBondContact O-CE2 3.33Å; R549-F553 WeakPolarHBondContact O-CZ 3.38Å
550V83.6Confident73Confident2 Ų254 Ų541%0.01228%0.279CS..Hα-helixtrans-63.5-33.2176.5-1760000112.2I224 V226 I492 M526 Y546 A547 N548 F553I224-V550 HydrophobicContact CG2-CG1 4.07Å; V226-V550 HydrophobicContact CG2-CB 4.07Å; V226-V550 HydrophobicContact CG2-CG1 3.77Å; I492-V550 HydrophobicContact CD1-CG2 4.37Å; I492-V550 HydrophobicContact CG2-CB 4.49Å; I492-V550 HydrophobicContact CG2-CG1 4.28Å; I492-V550 HydrophobicContact CG2-CG2 4.08Å; M526-V550 HydrophobicContact SD-CB 3.83Å; M526-V550 HydrophobicContact SD-CG1 3.9Å; M526-V550 HydrophobicContact SD-CG2 3.68Å; Y546-V550 HydrophobicContact CD2-CG2 4.5Å; Y546-V550 HydrophobicContact CE1-CG2 4.29Å; Y546-V550 HydrophobicContact CE2-CG2 4.05Å; Y546-V550 PolarHBondContact O-N 3.16Å; A547-V550 WeakPolarHBondContact O-CA 3.43Å; A547-V550 WeakPolarHBondContact O-CB 3.15Å; A547-V550 PolarHBondContact O-N 2.79Å; N548-V550 VanDerWaalsContact C-N 3.29Å; N548-V550 PolarHBondContact O-N 3.21Å; V550-F553 PolarHBondContact O-N 3.24Å
551K81.9Confident69.9Low61 Ų6159.7 Ų59.727%0.26532%0.316SS..Hα-helixtrans-70.2-33.3177.7178.2165.7168.8148.20112.8V226 F276 D277 A547 N548 R549 F553 G554V226-K551 HydrophobicContact CB-CB 4.11Å; V226-K551 HydrophobicContact CG2-CB 4Å; F276-K551 PolarHBondContact O-NZ 2.87Å; D277-K551 WeakPolarHBondContact OD1-CD 3.02Å; D277-K551 VanDerWaalsContact OD1-CE 3.23Å; D277-K551 WeakPolarHBondContact OD1-CE 3.35Å; D277-K551 IonicContact OD1-NZ 2.69Å; D277-K551 PolarHBondContact OD1-NZ 2.89Å; A547-K551 PolarHBondContact O-N 2.83Å; A547-K551 VanDerWaalsContact O-N 3.08Å; N548-K551 WeakPolarHBondContact O-CB 3.41Å; N548-K551 PolarHBondContact O-N 2.98Å; R549-K551 VanDerWaalsContact C-N 3.28Å; R549-K551 PolarHBondContact O-N 3.47Å; K551-F553 PolarHBondContact O-N 3.04Å; K551-G554 PolarHBondContact O-N 2.97Å
552E72.4Confident66.8Low100 Ų10067.6 Ų67.647%0.46735%0.35SS..THydrogen-bonded Turntrans-55.5-16.5175-66.1153.7-144.200113.1N548 R549N548-E552 PolarHBondContact ND2-OE1 2.93Å; N548-E552 PolarHBondContact O-N 2.9Å; R549-E552 WeakPolarHBondContact CA-OE1 3.37Å; R549-E552 PolarHBondContact N-OE1 3.25Å; R549-E552 WeakPolarHBondContact O-CB 3.47Å; R549-E552 PolarHBondContact O-N 2.82Å
553F63.7Low63.8Low48 Ų4870 Ų7021%0.21137%0.372CS..THydrogen-bonded Turntrans-104.6-0-178.6-42-41.5000114I224 I492 R549 V550 K551I224-F553 HydrophobicContact CD1-CB 4.34Å; I492-F553 HydrophobicContact CG2-CD2 3.32Å; I492-F553 HydrophobicContact CG2-CE2 3.52Å; I492-F553 WeakPolarHBondContact O-CE2 3.38Å; R549-F553 WeakPolarHBondContact O-CD2 3.47Å; R549-F553 WeakPolarHBondContact O-CE2 3.33Å; R549-F553 WeakPolarHBondContact O-CZ 3.38Å; V550-F553 PolarHBondContact O-N 3.24Å; K551-F553 PolarHBondContact O-N 3.04Å
554G54.8Low60.7Low17 Ų1778.9 Ų78.918%0.17541%0.413CS..SBendtrans-80.3-19.3174.400000113.9K551K551-G554 PolarHBondContact O-N 2.97Å
555I54.5Low57.3Low108 Ų10882 Ų8255%0.55445%0.445SS*.SBendtrans-83121-179.2-56.6169000109.1I560I555-I560 HydrophobicContact CG2-CG1 4.23Å
556S42.6Very low54.3Low48 Ų4883.5 Ų83.534%0.33647%0.471SS..  trans-72.9146.6168.8-174.20000110.1S558 D559S556-S558 VanDerWaalsContact CB-OG 3.23Å; S556-S558 WeakPolarHBondContact CB-OG 3.48Å; S556-S558 PolarHBondContact O-N 2.93Å; S556-S558 PolarHBondContact OG-N 2.78Å; S556-S558 PolarHBondContact OG-OG 2.61Å; S556-D559 VanDerWaalsContact CB-CG 3.5Å; S556-D559 WeakPolarHBondContact CB-OD2 3.25Å; S556-D559 PolarHBondContact N-OD2 2.9Å; S556-D559 PolarHBondContact O-N 2.91Å
557P39.3Very low51.4Low94 Ų9486.3 Ų86.361%0.6150%0.503SS*.THydrogen-bonded Turntrans-57-18.2170.3-25.135.1000114.4
558S36.3Very low48.4Very low82 Ų8292.4 Ų92.457%0.57355%0.545SS*.THydrogen-bonded Turntrans-76.7-21.6172.552.60000114.7S556S556-S558 VanDerWaalsContact CB-OG 3.23Å; S556-S558 WeakPolarHBondContact CB-OG 3.48Å; S556-S558 PolarHBondContact O-N 2.93Å; S556-S558 PolarHBondContact OG-N 2.78Å; S556-S558 PolarHBondContact OG-OG 2.61Å
559D39.1Very low45.7Very low106 Ų106100.5 Ų100.557%0.56757%0.572SS**SBendtrans-101.41.2-168.6-47.2-15.7000111.1S556 P561S556-D559 VanDerWaalsContact CB-CG 3.5Å; S556-D559 WeakPolarHBondContact CB-OD2 3.25Å; S556-D559 PolarHBondContact N-OD2 2.9Å; S556-D559 PolarHBondContact O-N 2.91Å; D559-P561 WeakPolarHBondContact O-CD 3.17Å
560I37.1Very low43.2Very low100 Ų10099.5 Ų99.551%0.51358%0.584SS.*SBendtrans-70.5123.2166.1-55.8174.8000107.4I555 F562I555-I560 HydrophobicContact CG2-CG1 4.23Å; I560-F562 PolarHBondContact O-N 2.84Å; I560-F562 VanDerWaalsContact O-N 3.11Å
561P31.3Very low40.7Very low118 Ų118105.7 Ų105.777%0.76662%0.617SS**  trans-58.4118.3174.3-24.835.1000110.9D559 S563D559-P561 WeakPolarHBondContact O-CD 3.17Å; P561-S563 VanDerWaalsContact C-N 3.29Å; P561-S563 PolarHBondContact O-N 2.63Å
562F31.8Very low38.3Very low170 Ų170110 Ų11075%0.74664%0.643SS**  trans-71.680.9178.4-105.6-91.7000111I560 Q564I560-F562 PolarHBondContact O-N 2.84Å; I560-F562 VanDerWaalsContact O-N 3.11Å; F562-Q564 HydrophobicContact CD1-CG 4.41Å; F562-Q564 PolarHBondContact O-N 3.02Å
563S30.3Very low36.1Very low111 Ų111110.1 Ų110.178%0.77665%0.654SS**  trans-73.1107.9157.4-1720000108.2P561 G565P561-S563 VanDerWaalsContact C-N 3.29Å; P561-S563 PolarHBondContact O-N 2.63Å; S563-G565 PolarHBondContact O-N 2.87Å; S563-G565 VanDerWaalsContact O-N 3.12Å
564Q29.4Very low34.5Very low186 Ų186113.1 Ų113.187%0.86968%0.679SS**  trans-80.886.4173.9-73.1-168.5-10.800109.9F562F562-Q564 HydrophobicContact CD1-CG 4.41Å; F562-Q564 PolarHBondContact O-N 3.02Å
565G26.9Very low33.1Very low65 Ų65117.2 Ų117.267%0.6770%0.704SS**  trans-141.112217100000109.9S563S563-G565 PolarHBondContact O-N 2.87Å; S563-G565 VanDerWaalsContact O-N 3.12Å
566S28.2Very low31.9Very low130 Ų130122 Ų12291%0.90972%0.717SS**  trans-92.8124.6-169.856.50000113.5
567G28.2Very low31Very low69 Ų69128.4 Ų128.471%0.71174%0.741SS**  trans139132.3155.900000115.7
568S29.6Very low30.5Very low127 Ų127134.2 Ų134.289%0.88875%0.753SS**  trans60.5121.8160.2-57.70000119.4
569R34.3Very low30Very low223 Ų223137.5 Ų137.584%0.84276%0.764SS**  trans-74.7150.7162.6-59.9173.5176.1167.5-2.5110.4
570P32Very low29.4Very low124 Ų124139.5 Ų139.581%0.80578%0.775SS**  trans-74.1128.4138.43.814.8000109.2
571D30.6Very low28.8Very low132 Ų132144.3 Ų144.371%0.70679%0.792SS**  trans-84.4-163.3154.8-148-43.1000108.6
572L30.9Very low28.6Very low153 Ų153142.7 Ų142.780%0.80178%0.784SS**  trans78.269.2175.3-52.6172000115.8
573S26.7Very low28.4Very low102 Ų102139.9 Ų139.971%0.71378%0.783SS**SBend-86.3139.5129.863.70000108.5S575S573-S575 PolarHBondContact O-N 3Å
574P31.3Very low28.2Very low111 Ų111139.6 Ų139.672%0.72178%0.78SS**  trans-56.8127.2-168.6-27.534.9000114.8Y576P574-Y576 PolarHBondContact O-N 3.04Å
575S25Very low28.1Very low102 Ų102137.7 Ų137.771%0.71378%0.781SS**  trans-78.594.6168.949.80000110.1S573 E577S573-S575 PolarHBondContact O-N 3Å; S575-E577 PolarHBondContact O-N 3.19Å
576Y28.5Very low28Very low208 Ų208140.1 Ų140.182%0.81678%0.783SS**  trans-73.3105.5153.8-74.9-82.2000107.7P574P574-Y576 PolarHBondContact O-N 3.04Å
577E24.8Very low28Very low183 Ų183145.1 Ų145.186%0.85578%0.782SS**  trans-68134.4165.9-64.7-169.3138.500108.9S575S575-E577 PolarHBondContact O-N 3.19Å
578Y27.2Very low27.8Very low216 Ų216148.6 Ų148.685%0.84779%0.789SS**  trans-139.7110.7176.4-123.4-74.2000105.1D580Y578-D580 PolarHBondContact O-N 2.93Å
579D26.2Very low27.6Very low152 Ų152152.4 Ų152.481%0.81379%0.79SS**  trans-62.1121.1-178.5-86.3-55.3000111.3F581D579-F581 VanDerWaalsContact C-N 3.31Å; D579-F581 PolarHBondContact O-N 3.44Å
580D26.3Very low27Very low147 Ų147149.9 Ų149.979%0.78679%0.788SS**  trans-82.375.5-179.1-171.815.8000110.7Y578 S582Y578-D580 PolarHBondContact O-N 2.93Å; D580-S582 PolarHBondContact O-N 3.43Å
581F25.7Very low26.6Very low202 Ų202151.2 Ų151.289%0.88679%0.787SS**  trans-70.965.7172.3-112.7-78.9000111.8D579 P583D579-F581 VanDerWaalsContact C-N 3.31Å; D579-F581 PolarHBondContact O-N 3.44Å; F581-P583 WeakPolarHBondContact O-CD 3.28Å
582S26.2Very low26.4Very low83 Ų83151.1 Ų151.158%0.5879%0.792SS**  trans-78.7118.1174.2169.20000110.9D580 S584D580-S582 PolarHBondContact O-N 3.43Å; S582-S584 PolarHBondContact O-N 3.46Å
583P27.9Very low26.1Very low112 Ų112150.2 Ų150.273%0.72779%0.792SS**  trans-71.8114.5-174.627.4-34.2000112.7F581 V585F581-P583 WeakPolarHBondContact O-CD 3.28Å; P583-V585 PolarHBondContact O-N 3.23Å
584S26.1Very low26.1Very low104 Ų104152.9 Ų152.973%0.72780%0.798SS**  trans-78.188-177.852.10000112.8S582 T586S582-S584 PolarHBondContact O-N 3.46Å; S584-T586 PolarHBondContact O-N 3.02Å; S584-T586 PolarHBondContact O-OG1 3.21Å
585V27.4Very low26.2Very low146 Ų146152.2 Ų152.289%0.88579%0.794SS**  trans-61.393.5177.2-177.30000111.7P583P583-V585 PolarHBondContact O-N 3.23Å
586T25.1Very low26.2Very low117 Ų117154.1 Ų154.172%0.71880%0.801SS**  trans-127.2100.8-178.2-48.30000111.5S584S584-T586 PolarHBondContact O-N 3.02Å; S584-T586 PolarHBondContact O-OG1 3.21Å
587R27.5Very low26.1Very low234 Ų234149.4 Ų149.488%0.88381%0.806SS**  trans16.2114.1158.4-64.7177.4176.3169-1.2118K589R587-K589 PolarHBondContact O-N 3.08Å
588V24.7Very low26.1Very low143 Ų143145.9 Ų145.987%0.86781%0.808SS**  trans-51127.8158.1-179.30000110.7
589K25.8Very low26Very low207 Ų207138.9 Ų138.990%0.980%0.802SS**  trans-137158.4149.2-95.9-163.4171.3-167.90109.1R587R587-K589 PolarHBondContact O-N 3.08Å
590E21.8Very low25.9Very low169 Ų169139.5 Ų139.579%0.7981%0.805SS**  trans-110.9166.7-158.9-160.4168.7-143.600110.6
591L23Very low25.8Very low153 Ų153138.1 Ų138.180%0.80180%0.801SS**  trans73.7142.3175.7-47.1159.5000114
592T25.7Very low25.7Very low130 Ų130139 Ų13980%0.79880%0.799SS**  cis-154161.3-1.4-2.60000109.5
593V26.4Very low25.9Very low134 Ų134141 Ų14181%0.81281%0.81SS**  trans-102.6134.9170.9177.30000109.6
594D26.6Very low25.8Very low157 Ų157141.6 Ų141.684%0.8481%0.806SS**  trans-159155.5141.4-118.3-10.9000111
595P33.4Very low25.6Very low97 Ų97145.5 Ų145.563%0.6382%0.815SS**  trans-108.6-167.9-16640.7-34.7000115.2
596T23.7Very low25.4Very low142 Ų142145.3 Ų145.387%0.87180%0.804SS**  trans89.4102.8168.268.80000119.5
597A26.3Very low25.3Very low109 Ų109147.6 Ų147.690%0.90181%0.806SS**  trans-155.9153.7136.500000107.8
598A25.5Very low25.4Very low109 Ų109142.2 Ų142.290%0.90180%0.801SS**  trans-144.3163.5-174.200000112.4
599G24.4Very low26.2Very low70 Ų70140.9 Ų140.972%0.72280%0.796SS**  trans103.5147.3-173.500000112
600D24.1Very low26.2Very low164 Ų164137.6 Ų137.688%0.87779%0.788SS**  cis-150.6175.94.7-129.3-35.9000113.2
601V24Very low26.4Very low118 Ų118136.7 Ų136.772%0.71578%0.784SS**  trans-120115.9-157.9172.80000115.7
602R23.6Very low26.6Very low222 Ų222135.9 Ų135.984%0.83878%0.779SS**  trans63.9176.7152.8-78.9-177.2-176.5-157.51115.8
603P30.3Very low26.6Very low125 Ų125136.2 Ų136.281%0.81278%0.776SS**  cis-132.7-178.61344.3-26.8000118.5
604I26.2Very low26.5Very low124 Ų124136.5 Ų136.564%0.63677%0.773SS**  trans-85.3156.8176.5-64.9157.4000110.6
605M22.6Very low26.5Very low185 Ų185137.7 Ų137.791%0.91178%0.778SS**  trans-125.5151.8160.1-76.8-166.668.400111.6
606H22.6Very low26.1Very low142 Ų142141 Ų14166%0.65779%0.785SS**  trans-122.4137.7-171.5-89.9-93.8000112.6
607H23.2Very low26.3Very low165 Ų165139.9 Ų139.976%0.76478%0.778SS**  trans60.4176.9148.8-58.3-43.4000117.4
608P29.7Very low26.1Very low121 Ų121143 Ų14379%0.78677%0.774SS**  cis-125.5-178.7-1.641-24000115.4
609P42.1Very low26.1Very low115 Ų115149.5 Ų149.575%0.74778%0.776SS**  trans-108.5162.8-171.740.1-33.9000116.8
610N25.2Very low26.2Very low138 Ų138149.7 Ų149.774%0.73878%0.778SS**  trans178.3167167-103.7-38.7000106.9
611Q25.4Very low26.4Very low151 Ų151149 Ų14971%0.70678%0.779SS**  cis-160.4159.1-1.6-129.9149-18.300105.5
612I27.2Very low26.6Very low135 Ų135146.8 Ų146.869%0.69278%0.78SS**  cis66.8111.836.4-60.6177000110.6
613D25.5Very low26.8Very low138 Ų138140.6 Ų140.674%0.73877%0.771SS**  cis-144.6175.930.2-102.2-38.5000113.7
614D25Very low26.9Very low140 Ų140137.7 Ų137.775%0.74975%0.753SS**  trans44.4120.9149.8-69.9-19.5000123.3
615L25.8Very low27.2Very low181 Ų181136.9 Ų136.995%0.94876%0.756SS**  -153.3111.5115.9-145.778.7000111.8
616E26.1Very low28Very low166 Ų166135.6 Ų135.678%0.77675%0.748SS**  trans-97.1153.1-173.6-158.6-174.9-158.300113.8
617T26.9Very low28.8Very low120 Ų120138.5 Ų138.574%0.73675%0.753SS**  trans57.1107.8164.341.70000120.5
618Q23.7Very low29.8Very low173 Ų173135.4 Ų135.481%0.80874%0.742SS**  trans-154.980.2143-160.9135.7103.200114.9
619W25.1Very low30.3Very low247 Ų247135 Ų13594%0.93673%0.733SS**SBendtrans60.9136.4172.6-39.691.2000117.4
620G26.4Very low30.6Very low74 Ų74135 Ų13576%0.76373%0.727SS**  cis-176.9126.4-7.900000110.4G622G620-G622 PolarHBondContact O-N 2.95Å
621V28.8Very low31.5Very low150 Ų150134.9 Ų134.991%0.90972%0.719SS**PPolyproline II helixtrans-81.9116.6-178-179.50000109.7
622G27.6Very low32.5Very low71 Ų71132.5 Ų132.573%0.73271%0.711SS**PPolyproline II helixtrans-72.1135.4173.400000111.8G620G620-G622 PolarHBondContact O-N 2.95Å
623S28.4Very low33.2Very low92 Ų92131 Ų13164%0.64370%0.704SS**PPolyproline II helixtrans-66.7151.1-175-58.90000113.7
624S31.1Very low34.1Very low63 Ų63129 Ų12944%0.44170%0.699SS.*PPolyproline II helixtrans-60138.1157.7173.50000109.4Q626S624-Q626 PolarHBondContact O-N 2.94Å; S624-Q626 PolarHBondContact OG-OE1 3.07Å
625P33Very low35.1Very low108 Ų108129 Ų12970%0.70170%0.695SS**G310 helixtrans-57.5-19.7-177.6-26.635.1000115.2R627P625-R627 PolarHBondContact O-N 3.42Å
626Q38.4Very low35.9Very low158 Ų158127.7 Ų127.774%0.73868%0.684SS**G310 helixtrans-73.6-5.2-170.6-66.6155.1-30.500114.9S624S624-Q626 PolarHBondContact O-N 2.94Å; S624-Q626 PolarHBondContact OG-OE1 3.07Å
627R39.9Very low36.4Very low202 Ų202125.9 Ų125.976%0.76268%0.68SS**G310 helixtrans-91.2-26-179.7-78.4-170.1172.1-174.4-1.4114.9P625P625-R627 PolarHBondContact O-N 3.42Å
628D43.8Very low37.3Very low101 Ų101130 Ų13054%0.5469%0.69SS.*Hα-helixtrans-83.3-37.1-174.5-71-42.7000112.9L630 K631 L632D628-L630 PolarHBondContact O-N 3.29Å; D628-K631 WeakPolarHBondContact O-CB 2.97Å; D628-K631 PolarHBondContact O-N 3.1Å; D628-K631 VanDerWaalsContact O-N 3.07Å; D628-L632 PolarHBondContact O-N 2.67Å
629D41.7Very low38.3Very low112 Ų112130.3 Ų130.360%0.59969%0.692SS**Hα-helixtrans-55.4-38.7174.8-72.1-17.3000112.4K631 L632 L633D629-K631 VanDerWaalsContact C-N 3.33Å; D629-K631 PolarHBondContact O-N 3.42Å; D629-L632 PolarHBondContact O-N 2.91Å; D629-L633 WeakPolarHBondContact O-CG 3.49Å; D629-L633 PolarHBondContact O-N 3.2Å; D629-L633 VanDerWaalsContact O-N 3.14Å
630L46.6Very low39.3Very low116 Ų116127.8 Ų127.861%0.60769%0.691SS**Hα-helixtrans-72.9-26.9-178.8-167.662.4000112.5D628 L633 C634D628-L630 PolarHBondContact O-N 3.29Å; L630-L633 HydrophobicContact CD1-CD1 4.42Å; L630-L633 PolarHBondContact O-N 2.86Å; L630-C634 PolarHBondContact O-N 3.01Å
631K45.9Very low40.1Very low134 Ų134129.5 Ų129.558%0.58369%0.686SS**Hα-helixtrans-72.3-42.2175-165.2179.8178.1-171.90111.1D628 D629 L633 C634 E635D628-K631 WeakPolarHBondContact O-CB 2.97Å; D628-K631 PolarHBondContact O-N 3.1Å; D628-K631 VanDerWaalsContact O-N 3.07Å; D629-K631 VanDerWaalsContact C-N 3.33Å; D629-K631 PolarHBondContact O-N 3.42Å; K631-L633 VanDerWaalsContact C-N 3.26Å; K631-L633 PolarHBondContact O-N 3.14Å; K631-C634 PolarHBondContact O-N 2.91Å; K631-E635 PolarHBondContact O-N 2.98Å
632L46.3Very low41.2Very low102 Ų102125.1 Ų125.153%0.53466%0.662SS.*Hα-helixtrans-60.2-33172.1-81.2156.9000112.9D628 D629D628-L632 PolarHBondContact O-N 2.67Å; D629-L632 PolarHBondContact O-N 2.91Å
633L42Very low42.4Very low104 Ų104126.7 Ų126.755%0.54566%0.659SS.*Hα-helixtrans-72.9-31.4175.6-75.7167.2000113.8D629 L630 K631D629-L633 WeakPolarHBondContact O-CG 3.49Å; D629-L633 PolarHBondContact O-N 3.2Å; D629-L633 VanDerWaalsContact O-N 3.14Å; L630-L633 HydrophobicContact CD1-CD1 4.42Å; L630-L633 PolarHBondContact O-N 2.86Å; K631-L633 VanDerWaalsContact C-N 3.26Å; K631-L633 PolarHBondContact O-N 3.14Å
634C43.2Very low43.5Very low94 Ų94129.6 Ų129.664%0.63566%0.663SS**Hα-helixtrans-72.7-33.4173.9-830000112.9L630 K631 Q636L630-C634 PolarHBondContact O-N 3.01Å; K631-C634 PolarHBondContact O-N 2.91Å; C634-Q636 PolarHBondContact O-N 3.33Å
635E45.7Very low44.5Very low142 Ų142131.1 Ų131.166%0.66467%0.666SS**THydrogen-bonded Turntrans-75.2-2.8179.7-69.9177.9-173.100113.6K631K631-E635 PolarHBondContact O-N 2.98Å
636Q42.8Very low45.4Very low153 Ų153133.1 Ų133.172%0.71566%0.663SS**THydrogen-bonded Turntrans-110.5-0-179.2-70.3-168.5-0.400116C634C634-Q636 PolarHBondContact O-N 3.33Å
637N37.9Very low46.3Very low127 Ų127129.5 Ų129.568%0.67965%0.652SS**  trans-134.992.9176.6-76.1-64.9000112.5E639N637-E639 PolarHBondContact O-N 3.47Å
638E44.8Very low47.2Very low206 Ų206122.6 Ų122.696%0.96363%0.628SS**  trans-75.463.7169.5-66.5-168.8125.700112.4
639E45.1Very low48Very low181 Ų181123.3 Ų123.385%0.84663%0.628SS**SBendtrans-145.3113.9170.1-122.1175.3-146.300113.8N637 V641N637-E639 PolarHBondContact O-N 3.47Å; E639-V641 PolarHBondContact O-N 3.47Å
640E45.4Very low49.1Very low194 Ų194122.6 Ų122.691%0.90762%0.621SS**  trans14.682.1173.7-62-163.9142.100119.6S642E640-S642 PolarHBondContact O-N 3.45Å; E640-S642 VanDerWaalsContact O-N 3.14Å
641V43.8Very low50Low109 Ų109119.2 Ų119.266%0.66161%0.61SS**  trans-69.3107.8161.7-1780000110E639E639-V641 PolarHBondContact O-N 3.47Å
642S52.2Low51.1Low59 Ų59115.1 Ų115.141%0.41360%0.596SS.*  trans-72.1138178.2-167.70000112E640 Q644 L645E640-S642 PolarHBondContact O-N 3.45Å; E640-S642 VanDerWaalsContact O-N 3.14Å; S642-Q644 PolarHBondContact O-N 2.95Å; S642-L645 PolarHBondContact O-N 2.91Å
643P52.2Low52.3Low103 Ų103113.3 Ų113.367%0.66959%0.592SS**Hα-helixtrans-55.6-20.8178.7-28.335.5000115.5L645 T647P643-L645 VanDerWaalsContact C-N 3.31Å; P643-T647 PolarHBondContact O-N 3Å; P643-T647 PolarHBondContact O-OG1 3.44Å
644Q51.9Low53.9Low153 Ų153113.2 Ų113.272%0.71559%0.588SS**Hα-helixtrans-70.3-23.9176.7-63.1-176.9-35.200113.3S642 T647 F648S642-Q644 PolarHBondContact O-N 2.95Å; Q644-T647 PolarHBondContact O-OG1 3.44Å; Q644-F648 PolarHBondContact O-N 2.95Å
645L51.4Low55.5Low96 Ų96110.3 Ų110.350%0.50357%0.566SS.*Hα-helixtrans-81.8-36.1178.4-166.369.2000111.3S642 P643 F648 H649S642-L645 PolarHBondContact O-N 2.91Å; P643-L645 VanDerWaalsContact C-N 3.31Å; L645-F648 PolarHBondContact O-N 3.36Å; L645-H649 PolarHBondContact O-CD2 3.46Å; L645-H649 PolarHBondContact O-N 2.99Å
646F52.1Low56.8Low150 Ų150106.8 Ų106.866%0.65855%0.554SS**Hα-helixtrans-63.4-49.2176-168.6-86.9000111.5F648 H649 E650F646-F648 VanDerWaalsContact C-N 3.28Å; F646-F648 PolarHBondContact O-N 3.03Å; F646-H649 PolarHBondContact O-N 3.45Å; F646-E650 PolarHBondContact O-N 3.41Å
647T58.2Low58.6Low81 Ų81105.5 Ų105.550%0.49755%0.548SS..Hα-helixtrans-64-29.2176.234.40000113.3P643 Q644 A651P643-T647 PolarHBondContact O-N 3Å; P643-T647 PolarHBondContact O-OG1 3.44Å; Q644-T647 PolarHBondContact O-OG1 3.44Å; T647-A651 WeakPolarHBondContact O-CB 3.48Å; T647-A651 PolarHBondContact O-N 2.88Å; T647-A651 VanDerWaalsContact O-N 3.16Å
648F58.5Low60.7Low58 Ų58102.7 Ų102.725%0.25453%0.532SS..Hα-helixtrans-70.8-42.9172.1-174.7-102.2000112.3Q644 L645 F646 A651 V652 E729 I736Q644-F648 PolarHBondContact O-N 2.95Å; L645-F648 PolarHBondContact O-N 3.36Å; F646-F648 VanDerWaalsContact C-N 3.28Å; F646-F648 PolarHBondContact O-N 3.03Å; F648-A651 PolarHBondContact O-N 2.85Å; F648-V652 HydrophobicContact CD1-CG2 4.27Å; F648-V652 HydrophobicContact CE1-CG2 3.86Å; F648-V652 HydrophobicContact CE2-CG2 4.41Å; F648-V652 HydrophobicContact CZ-CG2 3.94Å; F648-V652 WeakPolarHBondContact O-CG2 3.35Å; F648-V652 PolarHBondContact O-N 3.3Å; F648-E729 HydrophobicContact CE2-CG 4.38Å; F648-I736 HydrophobicContact CB-CD1 4.38Å; F648-I736 HydrophobicContact CD2-CD1 3.52Å; F648-I736 HydrophobicContact CE2-CD1 4Å; F648-I736 HydrophobicContact CG-CD1 4.01Å
649H59.9Low62.6Low116 Ų11697.9 Ų97.954%0.53751%0.509SS..Hα-helixtrans-64.6-38.5174.9-87.3-75.1000112.9L645 F646 V652 S653L645-H649 PolarHBondContact O-CD2 3.46Å; L645-H649 PolarHBondContact O-N 2.99Å; F646-H649 PolarHBondContact O-N 3.45Å; H649-V652 PolarHBondContact O-N 2.85Å; H649-S653 PolarHBondContact O-N 3.32Å; H649-S653 PolarHBondContact O-OG 2.63Å
650E65.7Low64.4Low96 Ų9695.7 Ų95.745%0.44950%0.499SS..Hα-helixtrans-60.7-46.4174.8-174.3172.7-163.800111.7F646 V652 S653 Q654F646-E650 PolarHBondContact O-N 3.41Å; E650-V652 PolarHBondContact O-N 3.17Å; E650-S653 PolarHBondContact O-N 3.15Å; E650-Q654 WeakPolarHBondContact O-CG 3.49Å; E650-Q654 PolarHBondContact O-N 3.45Å
651A66.1Low66.4Low46 Ų4691.5 Ų91.538%0.3848%0.479SS..Hα-helixtrans-63.7-38.6175.300000112.9T647 F648 Q654 M655T647-A651 WeakPolarHBondContact O-CB 3.48Å; T647-A651 PolarHBondContact O-N 2.88Å; T647-A651 VanDerWaalsContact O-N 3.16Å; F648-A651 PolarHBondContact O-N 2.85Å; A651-Q654 PolarHBondContact O-N 3.2Å; A651-M655 WeakPolarHBondContact O-CG 3.42Å; A651-M655 PolarHBondContact O-N 3.25Å
652V68.3Low68.6Low47 Ų4787.4 Ų87.429%0.28545%0.454SS..Hα-helixtrans-66.8-40.2176.6169.70000111.7F648 H649 E650 M655 V656F648-V652 HydrophobicContact CD1-CG2 4.27Å; F648-V652 HydrophobicContact CE1-CG2 3.86Å; F648-V652 HydrophobicContact CE2-CG2 4.41Å; F648-V652 HydrophobicContact CZ-CG2 3.94Å; F648-V652 WeakPolarHBondContact O-CG2 3.35Å; F648-V652 PolarHBondContact O-N 3.3Å; H649-V652 PolarHBondContact O-N 2.85Å; E650-V652 PolarHBondContact O-N 3.17Å; V652-M655 HydrophobicContact CG2-CE 4.45Å; V652-M655 PolarHBondContact O-N 2.76Å; V652-V656 PolarHBondContact O-N 3.13Å; V652-V656 VanDerWaalsContact O-N 3.15Å
653S71.5Confident70.3Confident65 Ų6588 Ų8846%0.45546%0.456SS..Hα-helixtrans-61.4-46173.4-63.80000111.7H649 E650 M655 V656 E657H649-S653 PolarHBondContact O-N 3.32Å; H649-S653 PolarHBondContact O-OG 2.63Å; E650-S653 PolarHBondContact O-N 3.15Å; S653-M655 VanDerWaalsContact C-N 3.28Å; S653-M655 PolarHBondContact O-N 3.33Å; S653-V656 PolarHBondContact O-N 2.31Å; S653-V656 VanDerWaalsContact O-N 3.08Å; S653-E657 WeakPolarHBondContact O-CG 3.26Å; S653-E657 PolarHBondContact O-N 2.85Å
654Q75Confident72.1Confident101 Ų10187.6 Ų87.647%0.47245%0.445SS..Hα-helixtrans-61-35.6176.7-70.7174.215.700112.3E650 A651 E657 M658E650-Q654 WeakPolarHBondContact O-CG 3.49Å; E650-Q654 PolarHBondContact O-N 3.45Å; A651-Q654 PolarHBondContact O-N 3.2Å; Q654-E657 PolarHBondContact O-N 3.18Å; Q654-M658 WeakPolarHBondContact O-CB 3.28Å; Q654-M658 VanDerWaalsContact O-CG 3.28Å; Q654-M658 WeakPolarHBondContact O-CG 3.32Å; Q654-M658 PolarHBondContact O-N 2.84Å
655M77.3Confident73.8Confident33 Ų3381.5 Ų81.516%0.16342%0.417CS..Hα-helixtrans-65.6-37.6173.2-72.5-159.3-48.200113.3A651 V652 S653 M658 E659 L726 E729A651-M655 WeakPolarHBondContact O-CG 3.42Å; A651-M655 PolarHBondContact O-N 3.25Å; V652-M655 HydrophobicContact CG2-CE 4.45Å; V652-M655 PolarHBondContact O-N 2.76Å; S653-M655 VanDerWaalsContact C-N 3.28Å; S653-M655 PolarHBondContact O-N 3.33Å; M655-M658 PolarHBondContact O-N 3.28Å; M655-E659 PolarHBondContact O-N 3.26Å; M655-L726 HydrophobicContact SD-CD2 3.97Å; M655-E729 HydrophobicContact CE-CB 3.94Å; M655-E729 HydrophobicContact CE-CG 3.66Å; M655-E729 HydrophobicContact SD-CB 3.56Å; M655-E729 VanDerWaalsContact SD-CB 3.56Å; M655-E729 HydrophobicContact SD-CG 4.01Å
656V72.9Confident75.8Confident69 Ų6982.6 Ų82.642%0.41842%0.419SS..Hα-helixtrans-68.3-42.9176.8174.80000110.4V652 S653 M658 E659 E660V652-V656 PolarHBondContact O-N 3.13Å; V652-V656 VanDerWaalsContact O-N 3.15Å; S653-V656 PolarHBondContact O-N 2.31Å; S653-V656 VanDerWaalsContact O-N 3.08Å; V656-M658 VanDerWaalsContact C-N 3.3Å; V656-M658 PolarHBondContact O-N 3.28Å; V656-E659 PolarHBondContact O-N 3.07Å; V656-E659 VanDerWaalsContact O-N 3.12Å; V656-E660 PolarHBondContact O-N 2.95Å
657E80Confident77.6Confident126 Ų12682 Ų8259%0.58941%0.413SS*.Hα-helixtrans-59.9-39.4173.6-68.9168.9-174.100111.5S653 Q654 Q661S653-E657 WeakPolarHBondContact O-CG 3.26Å; S653-E657 PolarHBondContact O-N 2.85Å; Q654-E657 PolarHBondContact O-N 3.18Å; E657-Q661 WeakPolarHBondContact O-CB 3.44Å; E657-Q661 PolarHBondContact O-N 3.45Å
658M81.6Confident79Confident68 Ų6880.9 Ų80.934%0.33541%0.411SS..Hα-helixtrans-69.6-33.8172.9-71.9-178.276.100113.7Q654 M655 V656 V662 F722 A725Q654-M658 WeakPolarHBondContact O-CB 3.28Å; Q654-M658 VanDerWaalsContact O-CG 3.28Å; Q654-M658 WeakPolarHBondContact O-CG 3.32Å; Q654-M658 PolarHBondContact O-N 2.84Å; M655-M658 PolarHBondContact O-N 3.28Å; V656-M658 VanDerWaalsContact C-N 3.3Å; V656-M658 PolarHBondContact O-N 3.28Å; M658-V662 WeakPolarHBondContact O-CB 3.46Å; M658-V662 VanDerWaalsContact O-CG2 3.31Å; M658-V662 WeakPolarHBondContact O-CG2 3.3Å; M658-V662 PolarHBondContact O-N 3.06Å; M658-F722 HydrophobicContact CB-CD2 3.78Å; M658-F722 HydrophobicContact CB-CE2 4.33Å; M658-F722 HydrophobicContact CE-CB 4.28Å; M658-A725 HydrophobicContact CE-CB 4.32Å; M658-A725 HydrophobicContact SD-CB 4.18Å
659E84.8Confident80.7Confident105 Ų10579 Ų7949%0.49141%0.405SS..Hα-helixtrans-66.1-49.1174.8-174.5169.8-163.900110.4M655 V656 Q661 V662 V663 F722M655-E659 PolarHBondContact O-N 3.26Å; V656-E659 PolarHBondContact O-N 3.07Å; V656-E659 VanDerWaalsContact O-N 3.12Å; E659-Q661 PolarHBondContact O-N 3.1Å; E659-V662 PolarHBondContact O-N 2.73Å; E659-V663 WeakPolarHBondContact O-CB 3.35Å; E659-V663 VanDerWaalsContact O-CG2 3.3Å; E659-V663 WeakPolarHBondContact O-CG2 3.39Å; E659-V663 PolarHBondContact O-N 2.74Å; E659-F722 HydrophobicContact CB-CE1 4.45Å; E659-F722 HydrophobicContact CB-CE2 3.81Å; E659-F722 HydrophobicContact CB-CZ 3.57Å; E659-F722 HydrophobicContact CG-CE1 4.41Å; E659-F722 HydrophobicContact CG-CZ 3.82Å
660E84.1Confident82Confident135 Ų13580 Ų8063%0.63141%0.408SS*.Hα-helixtrans-60.3-45.4177.4-70.5-174.4168.800111.5V656 V662 V663 E664V656-E660 PolarHBondContact O-N 2.95Å; E660-V662 PolarHBondContact O-N 3Å; E660-V663 PolarHBondContact O-N 2.66Å; E660-E664 WeakPolarHBondContact O-CB 3.25Å; E660-E664 PolarHBondContact O-N 2.8Å
661Q86.3Confident83Confident106 Ų10681 Ų8150%0.49541%0.413SS..Hα-helixtrans-62.9-42.7177.1-17167.163.200112.5E657 E659 V663 E664 D665E657-Q661 WeakPolarHBondContact O-CB 3.44Å; E657-Q661 PolarHBondContact O-N 3.45Å; E659-Q661 PolarHBondContact O-N 3.1Å; Q661-V663 VanDerWaalsContact C-N 3.33Å; Q661-V663 PolarHBondContact O-N 3.39Å; Q661-E664 PolarHBondContact O-N 3.48Å; Q661-D665 PolarHBondContact NE2-OD1 3.43Å; Q661-D665 VanDerWaalsContact O-CB 3.3Å; Q661-D665 WeakPolarHBondContact O-CB 3.46Å; Q661-D665 PolarHBondContact O-N 2.93Å
662V91.3Very high84Confident22 Ų2281 Ų8113%0.13341%0.405CS..Hα-helixtrans-67.7-34.2178166.10000111.9M658 E659 E660 H666 K718 V719 F722M658-V662 WeakPolarHBondContact O-CB 3.46Å; M658-V662 VanDerWaalsContact O-CG2 3.31Å; M658-V662 WeakPolarHBondContact O-CG2 3.3Å; M658-V662 PolarHBondContact O-N 3.06Å; E659-V662 PolarHBondContact O-N 2.73Å; E660-V662 PolarHBondContact O-N 3Å; V662-H666 VanDerWaalsContact O-CB 3.27Å; V662-H666 WeakPolarHBondContact O-CB 3.38Å; V662-H666 PolarHBondContact O-N 3.03Å; V662-H666 VanDerWaalsContact O-N 3.1Å; V662-K718 HydrophobicContact CG2-CB 4.39Å; V662-V719 HydrophobicContact CG1-CG2 3.66Å; V662-F722 HydrophobicContact CG2-CB 3.96Å; V662-F722 HydrophobicContact CG2-CG 4.36Å
663V87.9Confident84.9Confident73 Ų7381 Ų8144%0.44241%0.407SS..Hα-helixtrans-69.5-41.2174.9168.30000111.5E659 E660 Q661 H666 R667E659-V663 WeakPolarHBondContact O-CB 3.35Å; E659-V663 VanDerWaalsContact O-CG2 3.3Å; E659-V663 WeakPolarHBondContact O-CG2 3.39Å; E659-V663 PolarHBondContact O-N 2.74Å; E660-V663 PolarHBondContact O-N 2.66Å; Q661-V663 VanDerWaalsContact C-N 3.33Å; Q661-V663 PolarHBondContact O-N 3.39Å; V663-H666 PolarHBondContact O-N 3.36Å; V663-R667 PolarHBondContact O-N 3.01Å
664E88.4Confident85.7Confident93 Ų9381.1 Ų81.144%0.43540%0.401SS..Hα-helixtrans-76.8-36.4-179.2-159.758.1-15400112.4E660 Q661 H666 R667 A668E660-E664 WeakPolarHBondContact O-CB 3.25Å; E660-E664 PolarHBondContact O-N 2.8Å; Q661-E664 PolarHBondContact O-N 3.48Å; E664-H666 VanDerWaalsContact C-N 3.3Å; E664-H666 PolarHBondContact O-N 3.46Å; E664-R667 CarbonylContact O-C 3.48Å; E664-R667 WeakPolarHBondContact O-CA 3.36Å; E664-R667 WeakPolarHBondContact O-CB 3.5Å; E664-R667 PolarHBondContact O-N 3.08Å; E664-R667 VanDerWaalsContact O-N 3.08Å; E664-R667 VanDerWaalsContact OE1-CD 3.25Å; E664-R667 WeakPolarHBondContact OE1-CD 3.05Å; E664-R667 IonicContact OE1-NE 2.68Å; E664-R667 PolarHBondContact OE1-NE 2.91Å; E664-R667 IonicContact OE2-CZ 2.9Å; E664-R667 VanDerWaalsContact OE2-CZ 3.22Å; E664-R667 IonicContact OE2-NE 3.98Å; E664-R667 PolarHBondContact OE2-NE 3.32Å; E664-R667 IonicContact OE2-NH2 2.83Å; E664-R667 PolarHBondContact OE2-NH2 2.93Å; E664-A668 PolarHBondContact O-N 2.77Å
665D89.4Confident86.3Confident25 Ų2580.8 Ų80.813%0.13440%0.396CS..Hα-helixtrans-60.8-40.7169.3-71.6-9.9000110.9Q661 R667 A668 V669 L715 K718Q661-D665 PolarHBondContact NE2-OD1 3.43Å; Q661-D665 VanDerWaalsContact O-CB 3.3Å; Q661-D665 WeakPolarHBondContact O-CB 3.46Å; Q661-D665 PolarHBondContact O-N 2.93Å; D665-R667 VanDerWaalsContact C-N 3.31Å; D665-R667 PolarHBondContact O-N 3.42Å; D665-A668 PolarHBondContact O-N 3.08Å; D665-V669 WeakPolarHBondContact O-CG2 3.44Å; D665-V669 PolarHBondContact O-N 3.45Å; D665-L715 HydrophobicContact CB-CD1 3.94Å; D665-K718 IonicContact OD1-NZ 2.65Å; D665-K718 WeakPolarHBondContact OD2-CD 3.48Å; D665-K718 WeakPolarHBondContact OD2-CE 3.33Å; D665-K718 IonicContact OD2-NZ 2.65Å; D665-K718 PolarHBondContact OD2-NZ 2.85Å
666H92.6Very high86.9Confident119 Ų11979.4 Ų79.455%0.55139%0.389SS*.Hα-helixtrans-64.4-34.5173.5177.4-129.2000112.4V662 V663 E664 F670 L715V662-H666 VanDerWaalsContact O-CB 3.27Å; V662-H666 WeakPolarHBondContact O-CB 3.38Å; V662-H666 PolarHBondContact O-N 3.03Å; V662-H666 VanDerWaalsContact O-N 3.1Å; V663-H666 PolarHBondContact O-N 3.36Å; E664-H666 VanDerWaalsContact C-N 3.3Å; E664-H666 PolarHBondContact O-N 3.46Å; H666-F670 WeakPolarHBondContact O-CB 3.4Å; H666-F670 PolarHBondContact O-N 2.87Å; H666-L715 HydrophobicContact CB-CD1 4.21Å; H666-L715 HydrophobicContact CB-CD2 4.28Å
667R88.9Confident87.6Confident138 Ų13881.3 Ų81.352%0.52140%0.396SS..Hα-helixtrans-65.8-43.6171.3-166.8-163.3-48.1-68-10.1111.5V663 E664 D665 F670 Q671V663-R667 PolarHBondContact O-N 3.01Å; E664-R667 CarbonylContact O-C 3.48Å; E664-R667 WeakPolarHBondContact O-CA 3.36Å; E664-R667 WeakPolarHBondContact O-CB 3.5Å; E664-R667 PolarHBondContact O-N 3.08Å; E664-R667 VanDerWaalsContact O-N 3.08Å; E664-R667 VanDerWaalsContact OE1-CD 3.25Å; E664-R667 WeakPolarHBondContact OE1-CD 3.05Å; E664-R667 IonicContact OE1-NE 2.68Å; E664-R667 PolarHBondContact OE1-NE 2.91Å; E664-R667 IonicContact OE2-CZ 2.9Å; E664-R667 VanDerWaalsContact OE2-CZ 3.22Å; E664-R667 IonicContact OE2-NE 3.98Å; E664-R667 PolarHBondContact OE2-NE 3.32Å; E664-R667 IonicContact OE2-NH2 2.83Å; E664-R667 PolarHBondContact OE2-NH2 2.93Å; D665-R667 VanDerWaalsContact C-N 3.31Å; D665-R667 PolarHBondContact O-N 3.42Å; R667-F670 WeakPolarHBondContact O-CB 3.37Å; R667-F670 PolarHBondContact O-N 3.02Å; R667-Q671 PolarHBondContact O-N 3.16Å
668A88.7Confident88Confident57 Ų5781.2 Ų81.247%0.47140%0.396SS..Hα-helixtrans-61.2-44.8177.600000111.4E664 D665 F670 Q671 E672E664-A668 PolarHBondContact O-N 2.77Å; D665-A668 PolarHBondContact O-N 3.08Å; A668-F670 PolarHBondContact O-N 2.96Å; A668-Q671 PolarHBondContact O-N 3.48Å; A668-E672 WeakPolarHBondContact O-CB 3.49Å; A668-E672 PolarHBondContact O-N 3.24Å
669V92.8Very high88.3Confident19 Ų1980.8 Ų80.812%0.11540%0.395CS..Hα-helixtrans-63.2-38.7174.4173.90000112.2D665 Q671 S673 I711 L712 L715D665-V669 WeakPolarHBondContact O-CG2 3.44Å; D665-V669 PolarHBondContact O-N 3.45Å; V669-Q671 VanDerWaalsContact C-N 3.35Å; V669-S673 VanDerWaalsContact O-CB 3.26Å; V669-S673 WeakPolarHBondContact O-CB 3.48Å; V669-S673 PolarHBondContact O-N 2.95Å; V669-I711 HydrophobicContact CG2-CG2 3.58Å; V669-L712 HydrophobicContact CG1-CD2 3.71Å; V669-L715 HydrophobicContact CB-CD2 3.96Å; V669-L715 HydrophobicContact CG1-CD2 4.12Å; V669-L715 HydrophobicContact CG2-CB 4.18Å; V669-L715 HydrophobicContact CG2-CD2 3.8Å
670F88.3Confident88.6Confident136 Ų13678 Ų7860%0.59638%0.382SS*.Hα-helixtrans-62.8-41.1173.5177.4-94.4000112.1H666 R667 A668 S673 I674H666-F670 WeakPolarHBondContact O-CB 3.4Å; H666-F670 PolarHBondContact O-N 2.87Å; R667-F670 WeakPolarHBondContact O-CB 3.37Å; R667-F670 PolarHBondContact O-N 3.02Å; A668-F670 PolarHBondContact O-N 2.96Å; F670-S673 PolarHBondContact O-N 3.04Å; F670-I674 HydrophobicContact CE1-CD1 4.1Å; F670-I674 PolarHBondContact O-N 3.4Å
671Q86.3Confident88.9Confident119 Ų11976.9 Ų76.956%0.55638%0.375SS*.Hα-helixtrans-69.1-43.9178.6-171.961.247.900112.4R667 A668 V669 S673 I674R667-Q671 PolarHBondContact O-N 3.16Å; A668-Q671 PolarHBondContact O-N 3.48Å; V669-Q671 VanDerWaalsContact C-N 3.35Å; Q671-S673 VanDerWaalsContact C-N 3.26Å; Q671-S673 PolarHBondContact O-N 3.26Å; Q671-I674 WeakPolarHBondContact O-CB 3.32Å; Q671-I674 PolarHBondContact O-N 3.43Å; Q671-I674 VanDerWaalsContact O-N 3.08Å
672E87.6Confident89Confident46 Ų4674.5 Ų74.522%0.21537%0.373CS..Hα-helixtrans-63.9-34.3175.2-16973168.100111.1A668 I674 R675 W676 Q707 I711A668-E672 WeakPolarHBondContact O-CB 3.49Å; A668-E672 PolarHBondContact O-N 3.24Å; E672-I674 PolarHBondContact O-N 3.06Å; E672-R675 PolarHBondContact O-N 2.83Å; E672-R675 IonicContact OE1-CZ 2.73Å; E672-R675 IonicContact OE1-NH1 2.71Å; E672-R675 PolarHBondContact OE1-NH1 2.8Å; E672-R675 IonicContact OE1-NH2 3.44Å; E672-R675 PolarHBondContact OE1-NH2 2.99Å; E672-R675 IonicContact OE2-CZ 2.77Å; E672-R675 IonicContact OE2-NH1 3.19Å; E672-R675 PolarHBondContact OE2-NH1 3.03Å; E672-R675 IonicContact OE2-NH2 3.71Å; E672-W676 HydrophobicContact CG-CD2 4.26Å; E672-W676 HydrophobicContact CG-CH2 4.31Å; E672-W676 HydrophobicContact CG-CZ2 3.7Å; E672-W676 PolarHBondContact O-N 2.88Å; E672-Q707 PolarHBondContact OE1-NE2 3.03Å; E672-I711 HydrophobicContact CG-CD1 4.47Å
673S87.9Confident89Confident46 Ų4673.9 Ų73.932%0.32237%0.369SS..Hα-helixtrans-66.4-14173.3-172.20000114.7V669 F670 Q671 W676 L677V669-S673 VanDerWaalsContact O-CB 3.26Å; V669-S673 WeakPolarHBondContact O-CB 3.48Å; V669-S673 PolarHBondContact O-N 2.95Å; F670-S673 PolarHBondContact O-N 3.04Å; Q671-S673 VanDerWaalsContact C-N 3.26Å; Q671-S673 PolarHBondContact O-N 3.26Å; S673-W676 VanDerWaalsContact CA-CE3 3.46Å; S673-L677 WeakPolarHBondContact O-CD1 3.27Å; S673-L677 WeakPolarHBondContact O-CG 3.12Å
674I87.5Confident89Confident67 Ų6775.2 Ų75.234%0.34437%0.373SS..Hα-helixtrans-77.1-47.4167.7-61.6171.2000109.3F670 Q671 E672 W676 L677 E678F670-I674 HydrophobicContact CE1-CD1 4.1Å; F670-I674 PolarHBondContact O-N 3.4Å; Q671-I674 WeakPolarHBondContact O-CB 3.32Å; Q671-I674 PolarHBondContact O-N 3.43Å; Q671-I674 VanDerWaalsContact O-N 3.08Å; E672-I674 PolarHBondContact O-N 3.06Å; I674-W676 VanDerWaalsContact C-N 3.35Å; I674-W676 PolarHBondContact O-N 3.2Å; I674-L677 WeakPolarHBondContact O-CB 3.3Å; I674-L677 PolarHBondContact O-N 3.41Å; I674-L677 VanDerWaalsContact O-N 3.1Å; I674-E678 PolarHBondContact O-N 2.73Å
675R88Confident89.1Confident94 Ų9475.5 Ų75.536%0.35538%0.375SS..Hα-helixtrans-61.6-42.8178.2-160.1-168.173.7-123.2-8.8111.7E672 L677 E678 D679E672-R675 PolarHBondContact O-N 2.83Å; E672-R675 IonicContact OE1-CZ 2.73Å; E672-R675 IonicContact OE1-NH1 2.71Å; E672-R675 PolarHBondContact OE1-NH1 2.8Å; E672-R675 IonicContact OE1-NH2 3.44Å; E672-R675 PolarHBondContact OE1-NH2 2.99Å; E672-R675 IonicContact OE2-CZ 2.77Å; E672-R675 IonicContact OE2-NH1 3.19Å; E672-R675 PolarHBondContact OE2-NH1 3.03Å; E672-R675 IonicContact OE2-NH2 3.71Å; R675-L677 PolarHBondContact O-N 2.87Å; R675-L677 VanDerWaalsContact O-N 3.17Å; R675-E678 WeakPolarHBondContact O-CA 3.25Å; R675-E678 WeakPolarHBondContact O-CB 3.34Å; R675-E678 PolarHBondContact O-N 3.42Å; R675-D679 IonicContact NE-OD2 3.22Å; R675-D679 PolarHBondContact NE-OD2 3.11Å; R675-D679 IonicContact NH2-OD2 2.66Å; R675-D679 PolarHBondContact O-N 2.77Å
676W89.8Confident88.7Confident5 Ų576.7 Ų76.72%0.01938%0.38CS..Hα-helixtrans-56-33.1175-69.9-29.1000114E672 S673 I674 E680 K708 I711E672-W676 HydrophobicContact CG-CD2 4.26Å; E672-W676 HydrophobicContact CG-CH2 4.31Å; E672-W676 HydrophobicContact CG-CZ2 3.7Å; E672-W676 PolarHBondContact O-N 2.88Å; S673-W676 VanDerWaalsContact CA-CE3 3.46Å; I674-W676 VanDerWaalsContact C-N 3.35Å; I674-W676 PolarHBondContact O-N 3.2Å; W676-E680 WeakPolarHBondContact O-CB 3.46Å; W676-E680 VanDerWaalsContact O-CG 3.3Å; W676-E680 WeakPolarHBondContact O-CG 3.27Å; W676-E680 PolarHBondContact O-N 3.06Å; W676-K708 VanDerWaalsContact CB-CE 3.45Å; W676-K708 HydrophobicContact CD2-CD 4.25Å; W676-K708 HydrophobicContact CD2-CG 3.56Å; W676-K708 HydrophobicContact CE3-CD 4.23Å; W676-K708 HydrophobicContact CE3-CG 3.63Å; W676-K708 HydrophobicContact CG-CG 4.15Å; W676-K708 HydrophobicContact CH2-CB 4.42Å; W676-K708 HydrophobicContact CH2-CG 3.99Å; W676-K708 HydrophobicContact CZ2-CB 4.44Å; W676-K708 HydrophobicContact CZ2-CG 3.87Å; W676-K708 HydrophobicContact CZ3-CG 3.87Å; W676-I711 HydrophobicContact CH2-CB 4.08Å; W676-I711 HydrophobicContact CH2-CG2 3.86Å; W676-I711 HydrophobicContact CZ2-CB 4.19Å; W676-I711 HydrophobicContact CZ2-CD1 4.06Å; W676-I711 HydrophobicContact CZ2-CG2 4.27Å
677L87.8Confident88.2Confident109 Ų10973.4 Ų73.457%0.57137%0.369SS*.Hα-helixtrans-75.6-26176.8-72.6168.9000112.3S673 I674 R675 K681S673-L677 WeakPolarHBondContact O-CD1 3.27Å; S673-L677 WeakPolarHBondContact O-CG 3.12Å; I674-L677 WeakPolarHBondContact O-CB 3.3Å; I674-L677 PolarHBondContact O-N 3.41Å; I674-L677 VanDerWaalsContact O-N 3.1Å; R675-L677 PolarHBondContact O-N 2.87Å; R675-L677 VanDerWaalsContact O-N 3.17Å; L677-K681 WeakPolarHBondContact O-CB 3.23Å; L677-K681 PolarHBondContact O-N 3.09Å; L677-K681 VanDerWaalsContact O-N 3.13Å
678E88.8Confident87.9Confident124 Ų12475 Ų7558%0.57938%0.382SS*.Hα-helixtrans-75.4-44.2171.4-62.2177.9147.200110.5I674 R675 K681 A682I674-E678 PolarHBondContact O-N 2.73Å; R675-E678 WeakPolarHBondContact O-CA 3.25Å; R675-E678 WeakPolarHBondContact O-CB 3.34Å; R675-E678 PolarHBondContact O-N 3.42Å; E678-K681 PolarHBondContact O-N 2.84Å; E678-A682 PolarHBondContact O-N 3.01Å
679D88.1Confident87.4Confident59 Ų5978.3 Ų78.332%0.31639%0.387SS..Hα-helixtrans-59.8-49.2174.9-63.7-35.9000111.1R675 K681 A682 L683 I704R675-D679 IonicContact NE-OD2 3.22Å; R675-D679 PolarHBondContact NE-OD2 3.11Å; R675-D679 IonicContact NH2-OD2 2.66Å; R675-D679 PolarHBondContact O-N 2.77Å; D679-K681 PolarHBondContact O-N 3.19Å; D679-A682 PolarHBondContact O-N 2.87Å; D679-L683 WeakPolarHBondContact O-CB 3.47Å; D679-L683 PolarHBondContact O-N 3.42Å; D679-I704 HydrophobicContact CB-CD1 4.07Å
680E90.7Very high86.1Confident46 Ų4684.5 Ų84.522%0.21543%0.425CS..Hα-helixtrans-65.6-34.8175.8-76.5175.3143.500113.1W676 L683 L684 I704 K708W676-E680 WeakPolarHBondContact O-CB 3.46Å; W676-E680 VanDerWaalsContact O-CG 3.3Å; W676-E680 WeakPolarHBondContact O-CG 3.27Å; W676-E680 PolarHBondContact O-N 3.06Å; E680-L683 PolarHBondContact O-N 2.72Å; E680-L684 WeakPolarHBondContact O-CB 3.39Å; E680-L684 VanDerWaalsContact O-CG 3.32Å; E680-L684 WeakPolarHBondContact O-CG 3.4Å; E680-L684 PolarHBondContact O-N 3.34Å; E680-I704 HydrophobicContact CG-CG2 4.05Å; E680-K708 IonicContact OE1-NZ 3.27Å; E680-K708 PolarHBondContact OE1-NZ 3.12Å; E680-K708 IonicContact OE2-NZ 2.74Å; E680-K708 PolarHBondContact OE2-NZ 2.94Å
681K90.7Very high85.6Confident111 Ų11185.2 Ų85.248%0.48344%0.435SS..Hα-helixtrans-66.1-46.1176.4175.4-176.4170.3-680111L677 E678 D679 L683 L684 E685L677-K681 WeakPolarHBondContact O-CB 3.23Å; L677-K681 PolarHBondContact O-N 3.09Å; L677-K681 VanDerWaalsContact O-N 3.13Å; E678-K681 PolarHBondContact O-N 2.84Å; D679-K681 PolarHBondContact O-N 3.19Å; K681-L683 VanDerWaalsContact C-N 3.29Å; K681-L683 PolarHBondContact O-N 3.39Å; K681-L684 PolarHBondContact O-N 3.44Å; K681-E685 VanDerWaalsContact CE-OE1 3.27Å; K681-E685 WeakPolarHBondContact CE-OE1 3.1Å; K681-E685 IonicContact NZ-OE1 3.39Å; K681-E685 PolarHBondContact NZ-OE1 3.06Å; K681-E685 IonicContact NZ-OE2 3.2Å; K681-E685 PolarHBondContact NZ-OE2 2.91Å; K681-E685 WeakPolarHBondContact O-CG 3.37Å; K681-E685 PolarHBondContact O-N 3.23Å
682A88.4Confident85.3Confident57 Ų5783.3 Ų83.347%0.47142%0.423SS..Hα-helixtrans-61.5-40.3176.500000111.4E678 D679 L684 E685 M686E678-A682 PolarHBondContact O-N 3.01Å; D679-A682 PolarHBondContact O-N 2.87Å; A682-L684 VanDerWaalsContact C-N 3.35Å; A682-L684 PolarHBondContact O-N 3.38Å; A682-E685 PolarHBondContact O-N 3.11Å; A682-M686 PolarHBondContact O-N 2.91Å; A682-M686 VanDerWaalsContact O-N 3.08Å
683L90.6Very high85.3Confident9 Ų985.5 Ų85.55%0.04744%0.437CS..Hα-helixtrans-65.9-35177.4-168.263.1000112.8D679 E680 K681 M686 Y697 Q700 L701 I704D679-L683 WeakPolarHBondContact O-CB 3.47Å; D679-L683 PolarHBondContact O-N 3.42Å; E680-L683 PolarHBondContact O-N 2.72Å; K681-L683 VanDerWaalsContact C-N 3.29Å; K681-L683 PolarHBondContact O-N 3.39Å; L683-M686 HydrophobicContact CD1-CE 3.97Å; L683-Y697 HydrophobicContact CD1-CD2 3.87Å; L683-Y697 HydrophobicContact CD1-CE2 4.41Å; L683-Y697 HydrophobicContact CD2-CE2 4.41Å; L683-Y697 HydrophobicContact CG-CD2 3.78Å; L683-Y697 HydrophobicContact CG-CE2 3.8Å; L683-Y697 WeakPolarHBondContact O-CE2 3.48Å; L683-Q700 HydrophobicContact CD1-CB 3.72Å; L683-Q700 HydrophobicContact CD1-CG 4.49Å; L683-Q700 HydrophobicContact CD2-CB 4.08Å; L683-L701 HydrophobicContact CD2-CB 3.83Å; L683-L701 HydrophobicContact CD2-CD1 4.34Å; L683-I704 HydrophobicContact CD2-CD1 4.12Å
684L88.7Confident85.3Confident100 Ų10087.3 Ų87.352%0.52445%0.445SS..Hα-helixtrans-71.7-40.5172.1-73.8169000112.6E680 K681 A682 M686 T687E680-L684 WeakPolarHBondContact O-CB 3.39Å; E680-L684 VanDerWaalsContact O-CG 3.32Å; E680-L684 WeakPolarHBondContact O-CG 3.4Å; E680-L684 PolarHBondContact O-N 3.34Å; K681-L684 PolarHBondContact O-N 3.44Å; A682-L684 VanDerWaalsContact C-N 3.35Å; A682-L684 PolarHBondContact O-N 3.38Å; L684-M686 PolarHBondContact O-N 2.73Å; L684-T687 WeakPolarHBondContact O-CB 3.16Å; L684-T687 PolarHBondContact O-N 3.44Å; L684-T687 PolarHBondContact O-OG1 2.72Å
685E88.9Confident85.2Confident100 Ų10090.1 Ų90.147%0.46746%0.461SS..Hα-helixtrans-61.8-32.7176.5-75.6173.3156.600111.7K681 A682 T687 E688K681-E685 VanDerWaalsContact CE-OE1 3.27Å; K681-E685 WeakPolarHBondContact CE-OE1 3.1Å; K681-E685 IonicContact NZ-OE1 3.39Å; K681-E685 PolarHBondContact NZ-OE1 3.06Å; K681-E685 IonicContact NZ-OE2 3.2Å; K681-E685 PolarHBondContact NZ-OE2 2.91Å; K681-E685 WeakPolarHBondContact O-CG 3.37Å; K681-E685 PolarHBondContact O-N 3.23Å; A682-E685 PolarHBondContact O-N 3.11Å; E685-T687 PolarHBondContact O-N 3.34Å; E685-E688 PolarHBondContact O-N 2.95Å; E685-E688 VanDerWaalsContact O-N 3.08Å
686M81Confident85.2Confident50 Ų5087.6 Ų87.625%0.24646%0.458CS..G310 helixtrans-59.5-23.7171.8-165.7176.97500113.5A682 L683 L684 E688 E689 Y692 Y697A682-M686 PolarHBondContact O-N 2.91Å; A682-M686 VanDerWaalsContact O-N 3.08Å; L683-M686 HydrophobicContact CD1-CE 3.97Å; L684-M686 PolarHBondContact O-N 2.73Å; M686-E688 VanDerWaalsContact C-N 3.25Å; M686-E688 PolarHBondContact O-N 3.12Å; M686-E689 PolarHBondContact O-N 3.39Å; M686-Y692 VanDerWaalsContact O-CB 3.23Å; M686-Y692 WeakPolarHBondContact O-CB 3.42Å; M686-Y697 HydrophobicContact CE-CD2 4.23Å
687T83.3Confident85.3Confident50 Ų5089.8 Ų89.831%0.30747%0.467SS..G310 helixtrans-78.9-3.7177.472.60000114.2L684 E685 Y692 Y697L684-T687 WeakPolarHBondContact O-CB 3.16Å; L684-T687 PolarHBondContact O-N 3.44Å; L684-T687 PolarHBondContact O-OG1 2.72Å; E685-T687 PolarHBondContact O-N 3.34Å; T687-Y692 HydrophobicContact CG2-CD2 4.37Å; T687-Y692 HydrophobicContact CG2-CE2 3.89Å; T687-Y697 HydrophobicContact CG2-CD2 3.63Å; T687-Y697 HydrophobicContact CG2-CE2 3.39Å
688E82.5Confident85.4Confident171 Ų17186.9 Ų86.980%0.79946%0.458SS*.G310 helixtrans-83-11.5172-58.4-161.2163.100112.8E685 M686E685-E688 PolarHBondContact O-N 2.95Å; E685-E688 VanDerWaalsContact O-N 3.08Å; M686-E688 VanDerWaalsContact C-N 3.25Å; M686-E688 PolarHBondContact O-N 3.12Å
689E77.9Confident85.6Confident126 Ų12685.3 Ų85.359%0.58946%0.457SS*.SBendtrans-76.7145.5172.9-59.5-164.7143.700111.6M686 D691 Y692M686-E689 PolarHBondContact O-N 3.39Å; E689-D691 VanDerWaalsContact C-N 3.31Å; E689-D691 PolarHBondContact O-N 2.84Å; E689-Y692 WeakPolarHBondContact O-CD1 3.22Å
690V65.7Low85.7Confident149 Ų14986.7 Ų86.790%0.90346%0.462SS*.THydrogen-bonded Turntrans-76-22.9-170.4-179.70000112.6
691D78.6Confident85.8Confident152 Ų15287 Ų8781%0.81346%0.464SS*.THydrogen-bonded Turntrans-12830.3-173.750.4-37.9000112.6E689E689-D691 VanDerWaalsContact C-N 3.31Å; E689-D691 PolarHBondContact O-N 2.84Å
692Y79.4Confident86Confident79 Ų7987.7 Ų87.731%0.3147%0.47SS..  trans-61.4144.4179.683.9-88000113.5M686 T687 E689 V694 Y697M686-Y692 VanDerWaalsContact O-CB 3.23Å; M686-Y692 WeakPolarHBondContact O-CB 3.42Å; T687-Y692 HydrophobicContact CG2-CD2 4.37Å; T687-Y692 HydrophobicContact CG2-CE2 3.89Å; E689-Y692 WeakPolarHBondContact O-CD1 3.22Å; Y692-V694 HydrophobicContact CD2-CG2 4.43Å; Y692-V694 HydrophobicContact CE2-CG2 3.94Å; Y692-V694 PolarHBondContact O-N 2.95Å; Y692-Y697 HydrophobicContact CE2-CD2 4.46Å; Y692-Y697 HydrophobicContact CE2-CG 4.27Å
693D88.1Confident86.2Confident92 Ų9287.7 Ų87.749%0.49247%0.469SS..  trans-78.4108.3-178.8-175.2-21.7000110.9D695 S696 Y697D693-D695 PolarHBondContact OD1-N 3.1Å; D693-S696 PolarHBondContact OD1-N 2.96Å; D693-Y697 WeakPolarHBondContact O-CB 3.19Å; D693-Y697 PolarHBondContact O-N 3.32Å
694V86Confident86.3Confident83 Ų8388.2 Ų88.250%0.50347%0.472SS..Hα-helixtrans-72-33.7-177.3-177.30000112.4Y692 A698Y692-V694 HydrophobicContact CD2-CG2 4.43Å; Y692-V694 HydrophobicContact CE2-CG2 3.94Å; Y692-V694 PolarHBondContact O-N 2.95Å; V694-A698 WeakPolarHBondContact O-CB 3.05Å; V694-A698 PolarHBondContact O-N 3.37Å
695D86.6Confident86.5Confident127 Ų12787.1 Ų87.168%0.67947%0.466SS*.Hα-helixtrans-73.6-39.1178.1-71.9-35.9000110D693 A698 T699D693-D695 PolarHBondContact OD1-N 3.1Å; D695-A698 PolarHBondContact O-N 2.98Å; D695-T699 WeakPolarHBondContact O-CB 3.42Å; D695-T699 PolarHBondContact O-N 3.28Å; D695-T699 PolarHBondContact O-OG1 2.88Å
696S88.4Confident86.7Confident41 Ų4188.2 Ų88.229%0.28747%0.471SS..Hα-helixtrans-63.1-44.1170.6-1770000112.2D693 T699 Q700D693-S696 PolarHBondContact OD1-N 2.96Å; S696-T699 PolarHBondContact O-N 3.36Å; S696-Q700 WeakPolarHBondContact O-CB 3.2Å; S696-Q700 WeakPolarHBondContact O-CG 3.44Å; S696-Q700 PolarHBondContact O-N 3.05Å; S696-Q700 PolarHBondContact O-NE2 3.31Å; S696-Q700 PolarHBondContact OG-NE2 3.02Å
697Y91.8Very high87.3Confident51 Ų5189.1 Ų89.120%0.248%0.475CS..Hα-helixtrans-58.3-48.2174.3173.6-85.8000111.5L683 M686 T687 Y692 D693 Q700 L701L683-Y697 HydrophobicContact CD1-CD2 3.87Å; L683-Y697 HydrophobicContact CD1-CE2 4.41Å; L683-Y697 HydrophobicContact CD2-CE2 4.41Å; L683-Y697 HydrophobicContact CG-CD2 3.78Å; L683-Y697 HydrophobicContact CG-CE2 3.8Å; L683-Y697 WeakPolarHBondContact O-CE2 3.48Å; M686-Y697 HydrophobicContact CE-CD2 4.23Å; T687-Y697 HydrophobicContact CG2-CD2 3.63Å; T687-Y697 HydrophobicContact CG2-CE2 3.39Å; Y692-Y697 HydrophobicContact CE2-CD2 4.46Å; Y692-Y697 HydrophobicContact CE2-CG 4.27Å; D693-Y697 WeakPolarHBondContact O-CB 3.19Å; D693-Y697 PolarHBondContact O-N 3.32Å; Y697-Q700 PolarHBondContact O-N 3.4Å; Y697-L701 HydrophobicContact CE1-CD2 4.01Å; Y697-L701 WeakPolarHBondContact O-CB 3.39Å; Y697-L701 PolarHBondContact O-N 3.48Å
698A89.3Confident87.8Confident48 Ų4888.3 Ų88.340%0.39747%0.467SS..Hα-helixtrans-62.8-45.4179.700000112V694 D695 Q700 L701 E702V694-A698 WeakPolarHBondContact O-CB 3.05Å; V694-A698 PolarHBondContact O-N 3.37Å; D695-A698 PolarHBondContact O-N 2.98Å; A698-Q700 PolarHBondContact O-N 2.96Å; A698-L701 PolarHBondContact O-N 2.91Å; A698-E702 WeakPolarHBondContact O-CB 3.38Å; A698-E702 PolarHBondContact O-N 3.3Å
699T92.1Very high88.3Confident91 Ų9185.1 Ų85.156%0.55846%0.455SS*.Hα-helixtrans-62.1-42.1179.1-54.40000111.9D695 S696 A703D695-T699 WeakPolarHBondContact O-CB 3.42Å; D695-T699 PolarHBondContact O-N 3.28Å; D695-T699 PolarHBondContact O-OG1 2.88Å; S696-T699 PolarHBondContact O-N 3.36Å; T699-A703 PolarHBondContact O-N 3.32Å; T699-A703 VanDerWaalsContact O-N 3.11Å
700Q91.6Very high89.1Confident88 Ų8884.4 Ų84.441%0.41146%0.455SS..Hα-helixtrans-69.4-39.6177.8-72.6177.977.600112L683 S696 Y697 A698 A703 I704L683-Q700 HydrophobicContact CD1-CB 3.72Å; L683-Q700 HydrophobicContact CD1-CG 4.49Å; L683-Q700 HydrophobicContact CD2-CB 4.08Å; S696-Q700 WeakPolarHBondContact O-CB 3.2Å; S696-Q700 WeakPolarHBondContact O-CG 3.44Å; S696-Q700 PolarHBondContact O-N 3.05Å; S696-Q700 PolarHBondContact O-NE2 3.31Å; S696-Q700 PolarHBondContact OG-NE2 3.02Å; Y697-Q700 PolarHBondContact O-N 3.4Å; A698-Q700 PolarHBondContact O-N 2.96Å; Q700-A703 PolarHBondContact O-N 3.49Å; Q700-I704 WeakPolarHBondContact O-CG1 3.43Å; Q700-I704 PolarHBondContact O-N 2.95Å; Q700-I704 VanDerWaalsContact O-N 3.09Å
701L93Very high90.3Very high51 Ų5179.7 Ų79.727%0.26742%0.424SS..Hα-helixtrans-64.9-41.8175.8-17758.2000111.7L683 Y697 A698 I704 L705L683-L701 HydrophobicContact CD2-CB 3.83Å; L683-L701 HydrophobicContact CD2-CD1 4.34Å; Y697-L701 HydrophobicContact CE1-CD2 4.01Å; Y697-L701 WeakPolarHBondContact O-CB 3.39Å; Y697-L701 PolarHBondContact O-N 3.48Å; A698-L701 PolarHBondContact O-N 2.91Å; L701-I704 PolarHBondContact O-N 2.91Å; L701-L705 HydrophobicContact CD1-CD1 4.19Å; L701-L705 HydrophobicContact CD1-CG 4.32Å; L701-L705 HydrophobicContact CG-CD1 4.01Å; L701-L705 WeakPolarHBondContact O-CB 3.13Å; L701-L705 VanDerWaalsContact O-CG 3.25Å; L701-L705 WeakPolarHBondContact O-CG 3.45Å; L701-L705 PolarHBondContact O-N 3.27Å
702E93.6Very high91Very high127 Ų12776.6 Ų76.659%0.59341%0.407SS*.Hα-helixtrans-60.9-47.3176.6-170.9161.5-130.600111A698 I704 L705 E706A698-E702 WeakPolarHBondContact O-CB 3.38Å; A698-E702 PolarHBondContact O-N 3.3Å; E702-I704 PolarHBondContact O-N 3.14Å; E702-L705 PolarHBondContact O-N 3.44Å; E702-L705 VanDerWaalsContact O-N 3.14Å; E702-E706 PolarHBondContact O-N 3.04Å
703A93.1Very high91.7Very high56 Ų5674.9 Ų74.946%0.46341%0.405SS..Hα-helixtrans-61.3-40.617700000113.7T699 Q700 L705 Q707T699-A703 PolarHBondContact O-N 3.32Å; T699-A703 VanDerWaalsContact O-N 3.11Å; Q700-A703 PolarHBondContact O-N 3.49Å; A703-L705 VanDerWaalsContact C-N 3.34Å; A703-Q707 PolarHBondContact O-N 2.95Å
704I92.1Very high91.9Very high21 Ų2175.7 Ų75.711%0.10841%0.406CS..Hα-helixtrans-64.4-40.4174.7-68.8167.2000110.6D679 E680 L683 Q700 L701 E702 K708D679-I704 HydrophobicContact CB-CD1 4.07Å; E680-I704 HydrophobicContact CG-CG2 4.05Å; L683-I704 HydrophobicContact CD2-CD1 4.12Å; Q700-I704 WeakPolarHBondContact O-CG1 3.43Å; Q700-I704 PolarHBondContact O-N 2.95Å; Q700-I704 VanDerWaalsContact O-N 3.09Å; L701-I704 PolarHBondContact O-N 2.91Å; E702-I704 PolarHBondContact O-N 3.14Å; I704-K708 HydrophobicContact CG2-CD 4.18Å; I704-K708 WeakPolarHBondContact O-CB 3.39Å; I704-K708 VanDerWaalsContact O-CG 3.28Å; I704-K708 WeakPolarHBondContact O-CG 3.06Å; I704-K708 PolarHBondContact O-N 3.4Å
705L92.9Very high92.3Very high77 Ų7772.7 Ų72.740%0.40339%0.387SS..Hα-helixtrans-69.7-39.6179.2-70.8171.4000112.3L701 E702 A703 K708 I709L701-L705 HydrophobicContact CD1-CD1 4.19Å; L701-L705 HydrophobicContact CD1-CG 4.32Å; L701-L705 HydrophobicContact CG-CD1 4.01Å; L701-L705 WeakPolarHBondContact O-CB 3.13Å; L701-L705 VanDerWaalsContact O-CG 3.25Å; L701-L705 WeakPolarHBondContact O-CG 3.45Å; L701-L705 PolarHBondContact O-N 3.27Å; E702-L705 PolarHBondContact O-N 3.44Å; E702-L705 VanDerWaalsContact O-N 3.14Å; A703-L705 VanDerWaalsContact C-N 3.34Å; L705-K708 PolarHBondContact O-N 2.87Å; L705-I709 WeakPolarHBondContact O-CB 3.2Å; L705-I709 WeakPolarHBondContact O-CD1 3.07Å; L705-I709 WeakPolarHBondContact O-CG1 3.29Å; L705-I709 PolarHBondContact O-N 3.06Å
706E94.3Very high92.8Very high122 Ų12272.1 Ų72.157%0.5738%0.375SS*.Hα-helixtrans-61.2-49.6172.6-72.1-167.5140.300111.3E702 K708 I709 D710E702-E706 PolarHBondContact O-N 3.04Å; E706-K708 VanDerWaalsContact C-N 3.27Å; E706-K708 PolarHBondContact O-N 3.33Å; E706-I709 PolarHBondContact O-N 3.08Å; E706-D710 PolarHBondContact O-N 2.91Å
707Q92.5Very high93Very high69 Ų6972.9 Ų72.932%0.32238%0.376SS..Hα-helixtrans-57.6-40.6178.1-167.1-17228.800112.2E672 A703 I711E672-Q707 PolarHBondContact OE1-NE2 3.03Å; A703-Q707 PolarHBondContact O-N 2.95Å; Q707-I711 HydrophobicContact CG-CD1 4.11Å; Q707-I711 PolarHBondContact O-N 3.13Å
708K93.8Very high93Very high34 Ų3473.6 Ų73.615%0.14838%0.38CS..Hα-helixtrans-63-45.1173.8-77.7176.7176.6-166.20112.4W676 E680 I704 L705 E706 L712W676-K708 VanDerWaalsContact CB-CE 3.45Å; W676-K708 HydrophobicContact CD2-CD 4.25Å; W676-K708 HydrophobicContact CD2-CG 3.56Å; W676-K708 HydrophobicContact CE3-CD 4.23Å; W676-K708 HydrophobicContact CE3-CG 3.63Å; W676-K708 HydrophobicContact CG-CG 4.15Å; W676-K708 HydrophobicContact CH2-CB 4.42Å; W676-K708 HydrophobicContact CH2-CG 3.99Å; W676-K708 HydrophobicContact CZ2-CB 4.44Å; W676-K708 HydrophobicContact CZ2-CG 3.87Å; W676-K708 HydrophobicContact CZ3-CG 3.87Å; E680-K708 IonicContact OE1-NZ 3.27Å; E680-K708 PolarHBondContact OE1-NZ 3.12Å; E680-K708 IonicContact OE2-NZ 2.74Å; E680-K708 PolarHBondContact OE2-NZ 2.94Å; I704-K708 HydrophobicContact CG2-CD 4.18Å; I704-K708 WeakPolarHBondContact O-CB 3.39Å; I704-K708 VanDerWaalsContact O-CG 3.28Å; I704-K708 WeakPolarHBondContact O-CG 3.06Å; I704-K708 PolarHBondContact O-N 3.4Å; L705-K708 PolarHBondContact O-N 2.87Å; E706-K708 VanDerWaalsContact C-N 3.27Å; E706-K708 PolarHBondContact O-N 3.33Å; K708-L712 WeakPolarHBondContact O-CB 3.27Å; K708-L712 WeakPolarHBondContact O-CD1 3.35Å; K708-L712 WeakPolarHBondContact O-CG 3.37Å; K708-L712 PolarHBondContact O-N 2.87Å
709I93.9Very high93.2Very high104 Ų10474.3 Ų74.353%0.53338%0.379SS..Hα-helixtrans-63.4-42.2-177.9-75.4164.6000111.2L705 E706 T713L705-I709 WeakPolarHBondContact O-CB 3.2Å; L705-I709 WeakPolarHBondContact O-CD1 3.07Å; L705-I709 WeakPolarHBondContact O-CG1 3.29Å; L705-I709 PolarHBondContact O-N 3.06Å; E706-I709 PolarHBondContact O-N 3.08Å; I709-T713 WeakPolarHBondContact O-CB 3.06Å; I709-T713 PolarHBondContact O-N 3.19Å; I709-T713 PolarHBondContact O-OG1 3.04Å
710D93.8Very high93.2Very high110 Ų11075.6 Ų75.659%0.58838%0.377SS*.Hα-helixtrans-68.1-52.8-179.9-79.8-12.3000111.9E706 L712 T713 E714E706-D710 PolarHBondContact O-N 2.91Å; D710-L712 PolarHBondContact O-N 3.21Å; D710-T713 CarbonylContact O-C 3.58Å; D710-T713 WeakPolarHBondContact O-CA 3.44Å; D710-T713 VanDerWaalsContact O-CB 3.31Å; D710-T713 WeakPolarHBondContact O-CB 3.45Å; D710-T713 PolarHBondContact O-N 3.08Å; D710-E714 PolarHBondContact O-N 2.99Å
711I92.3Very high93.2Very high50 Ų5074.7 Ų74.726%0.25638%0.381SS..Hα-helixtrans-64.8-39.1-177.4-73.1177.3000111.6V669 E672 W676 Q707 T713 E714 L715V669-I711 HydrophobicContact CG2-CG2 3.58Å; E672-I711 HydrophobicContact CG-CD1 4.47Å; W676-I711 HydrophobicContact CH2-CB 4.08Å; W676-I711 HydrophobicContact CH2-CG2 3.86Å; W676-I711 HydrophobicContact CZ2-CB 4.19Å; W676-I711 HydrophobicContact CZ2-CD1 4.06Å; W676-I711 HydrophobicContact CZ2-CG2 4.27Å; Q707-I711 HydrophobicContact CG-CD1 4.11Å; Q707-I711 PolarHBondContact O-N 3.13Å; I711-T713 VanDerWaalsContact C-N 3.32Å; I711-E714 PolarHBondContact O-N 2.71Å; I711-L715 PolarHBondContact O-N 2.65Å; I711-L715 VanDerWaalsContact O-N 3.16Å
712L93Very high93.1Very high88 Ų8873.7 Ų73.746%0.46137%0.374SS..Hα-helixtrans-70.7-28.1173.1-66.9171.3000112.5V669 K708 D710 R716V669-L712 HydrophobicContact CG1-CD2 3.71Å; K708-L712 WeakPolarHBondContact O-CB 3.27Å; K708-L712 WeakPolarHBondContact O-CD1 3.35Å; K708-L712 WeakPolarHBondContact O-CG 3.37Å; K708-L712 PolarHBondContact O-N 2.87Å; D710-L712 PolarHBondContact O-N 3.21Å; L712-R716 WeakPolarHBondContact O-CB 3.4Å; L712-R716 PolarHBondContact O-N 3.13Å; L712-R716 VanDerWaalsContact O-N 3.08Å
713T94.2Very high92.8Very high43 Ų4375.9 Ų75.926%0.26438%0.377SS..Hα-helixtrans-69.3-43.5173.4-79.70000111.7I709 D710 I711 R716 D717I709-T713 WeakPolarHBondContact O-CB 3.06Å; I709-T713 PolarHBondContact O-N 3.19Å; I709-T713 PolarHBondContact O-OG1 3.04Å; D710-T713 CarbonylContact O-C 3.58Å; D710-T713 WeakPolarHBondContact O-CA 3.44Å; D710-T713 VanDerWaalsContact O-CB 3.31Å; D710-T713 WeakPolarHBondContact O-CB 3.45Å; D710-T713 PolarHBondContact O-N 3.08Å; I711-T713 VanDerWaalsContact C-N 3.32Å; T713-R716 VanDerWaalsContact CG2-NH2 3.3Å; T713-R716 PolarHBondContact O-N 2.85Å; T713-R716 PolarHBondContact OG1-NH1 3.01Å; T713-D717 PolarHBondContact O-N 3.42Å
714E92.9Very high92.6Very high108 Ų10875.3 Ų75.351%0.50537%0.372SS..Hα-helixtrans-62.3-52.8177.2-167.8-170.8141.700111.1D710 I711 R716 D717 K718D710-E714 PolarHBondContact O-N 2.99Å; I711-E714 PolarHBondContact O-N 2.71Å; E714-R716 VanDerWaalsContact C-N 3.32Å; E714-R716 PolarHBondContact O-N 2.93Å; E714-D717 PolarHBondContact O-N 2.99Å; E714-D717 VanDerWaalsContact O-N 3.08Å; E714-K718 HydrophobicContact CG-CD 4.4Å; E714-K718 WeakPolarHBondContact O-CG 3.4Å; E714-K718 PolarHBondContact O-N 3.08Å; E714-K718 WeakPolarHBondContact OE1-CE 3.46Å; E714-K718 IonicContact OE1-NZ 2.8Å; E714-K718 PolarHBondContact OE1-NZ 3.34Å
715L94.3Very high92.1Very high21 Ų2175.5 Ų75.511%0.1138%0.377CS..Hα-helixtrans-58.3-44.2178177.762.9000111.6D665 H666 V669 I711 D717 K718 V719D665-L715 HydrophobicContact CB-CD1 3.94Å; H666-L715 HydrophobicContact CB-CD1 4.21Å; H666-L715 HydrophobicContact CB-CD2 4.28Å; V669-L715 HydrophobicContact CB-CD2 3.96Å; V669-L715 HydrophobicContact CG1-CD2 4.12Å; V669-L715 HydrophobicContact CG2-CB 4.18Å; V669-L715 HydrophobicContact CG2-CD2 3.8Å; I711-L715 PolarHBondContact O-N 2.65Å; I711-L715 VanDerWaalsContact O-N 3.16Å; L715-D717 VanDerWaalsContact C-N 3.26Å; L715-D717 PolarHBondContact O-N 2.88Å; L715-K718 PolarHBondContact O-N 3.21Å; L715-V719 HydrophobicContact CD1-CG2 4.19Å; L715-V719 HydrophobicContact CG-CG2 4.45Å; L715-V719 WeakPolarHBondContact O-CB 3.3Å; L715-V719 VanDerWaalsContact O-CG2 3.23Å; L715-V719 WeakPolarHBondContact O-CG2 3.34Å; L715-V719 PolarHBondContact O-N 2.87Å
716R95.8Very high91.6Very high115 Ų11575.3 Ų75.343%0.43438%0.376SS..Hα-helixtrans-55.4-41.9175.8175.7-160.674.9-1472111.8L712 T713 E714 K720L712-R716 WeakPolarHBondContact O-CB 3.4Å; L712-R716 PolarHBondContact O-N 3.13Å; L712-R716 VanDerWaalsContact O-N 3.08Å; T713-R716 VanDerWaalsContact CG2-NH2 3.3Å; T713-R716 PolarHBondContact O-N 2.85Å; T713-R716 PolarHBondContact OG1-NH1 3.01Å; E714-R716 VanDerWaalsContact C-N 3.32Å; E714-R716 PolarHBondContact O-N 2.93Å; R716-K720 WeakPolarHBondContact O-CG 3.31Å; R716-K720 PolarHBondContact O-N 3.48Å
717D93.9Very high91Very high56 Ų5674.4 Ų74.430%0.29937%0.372SS..Hα-helixtrans-84.4-29.6-174.2-68.2-11.4000112.5T713 E714 L715 K720 S721T713-D717 PolarHBondContact O-N 3.42Å; E714-D717 PolarHBondContact O-N 2.99Å; E714-D717 VanDerWaalsContact O-N 3.08Å; L715-D717 VanDerWaalsContact C-N 3.26Å; L715-D717 PolarHBondContact O-N 2.88Å; D717-K720 WeakPolarHBondContact O-CB 3.48Å; D717-K720 PolarHBondContact O-N 3.3Å; D717-K720 WeakPolarHBondContact OD1-CD 2.95Å; D717-K720 WeakPolarHBondContact OD1-CE 3.49Å; D717-K720 IonicContact OD1-NZ 2.83Å; D717-K720 PolarHBondContact OD1-NZ 3.36Å; D717-S721 PolarHBondContact O-N 2.95Å; D717-S721 PolarHBondContact O-OG 3.5Å; D717-S721 VanDerWaalsContact O-OG 3.12Å
718K91.8Very high90.3Very high66 Ų6677.7 Ų77.729%0.28739%0.387SS..Hα-helixtrans-61.7-44.8163.8-69.4-178.9173.9171.20111.9V662 D665 E714 L715 K720 S721 F722V662-K718 HydrophobicContact CG2-CB 4.39Å; D665-K718 IonicContact OD1-NZ 2.65Å; D665-K718 WeakPolarHBondContact OD2-CD 3.48Å; D665-K718 WeakPolarHBondContact OD2-CE 3.33Å; D665-K718 IonicContact OD2-NZ 2.65Å; D665-K718 PolarHBondContact OD2-NZ 2.85Å; E714-K718 HydrophobicContact CG-CD 4.4Å; E714-K718 WeakPolarHBondContact O-CG 3.4Å; E714-K718 PolarHBondContact O-N 3.08Å; E714-K718 WeakPolarHBondContact OE1-CE 3.46Å; E714-K718 IonicContact OE1-NZ 2.8Å; E714-K718 PolarHBondContact OE1-NZ 3.34Å; L715-K718 PolarHBondContact O-N 3.21Å; K718-K720 VanDerWaalsContact C-N 3.32Å; K718-K720 PolarHBondContact O-N 3.15Å; K718-S721 PolarHBondContact O-N 2.8Å; K718-S721 VanDerWaalsContact O-N 3.13Å; K718-F722 PolarHBondContact O-N 2.65Å
719V92.8Very high89.4Confident64 Ų6478.6 Ų78.639%0.38839%0.392SS..Hα-helixtrans-61-37174.1168.20000112.1V662 L715 R723V662-V719 HydrophobicContact CG1-CG2 3.66Å; L715-V719 HydrophobicContact CD1-CG2 4.19Å; L715-V719 HydrophobicContact CG-CG2 4.45Å; L715-V719 WeakPolarHBondContact O-CB 3.3Å; L715-V719 VanDerWaalsContact O-CG2 3.23Å; L715-V719 WeakPolarHBondContact O-CG2 3.34Å; L715-V719 PolarHBondContact O-N 2.87Å; V719-R723 VanDerWaalsContact O-CB 3.27Å; V719-R723 WeakPolarHBondContact O-CB 3.34Å; V719-R723 PolarHBondContact O-N 3.2Å
720K92.5Very high88.4Confident117 Ų11778.7 Ų78.751%0.50939%0.39SS..Hα-helixtrans-62.9-45.7171.8-73.3172.8-168.8164.20111.7R716 D717 K718 R723 A724R716-K720 WeakPolarHBondContact O-CG 3.31Å; R716-K720 PolarHBondContact O-N 3.48Å; D717-K720 WeakPolarHBondContact O-CB 3.48Å; D717-K720 PolarHBondContact O-N 3.3Å; D717-K720 WeakPolarHBondContact OD1-CD 2.95Å; D717-K720 WeakPolarHBondContact OD1-CE 3.49Å; D717-K720 IonicContact OD1-NZ 2.83Å; D717-K720 PolarHBondContact OD1-NZ 3.36Å; K718-K720 VanDerWaalsContact C-N 3.32Å; K718-K720 PolarHBondContact O-N 3.15Å; K720-R723 PolarHBondContact O-N 3.07Å; K720-A724 PolarHBondContact O-N 3.14Å
721S90.5Very high87.3Confident70 Ų7078.9 Ų78.949%0.4939%0.387SS..Hα-helixtrans-64.2-45.2-178.9-62.40000112.1D717 K718 R723 A724 A725D717-S721 PolarHBondContact O-N 2.95Å; D717-S721 PolarHBondContact O-OG 3.5Å; D717-S721 VanDerWaalsContact O-OG 3.12Å; K718-S721 PolarHBondContact O-N 2.8Å; K718-S721 VanDerWaalsContact O-N 3.13Å; S721-R723 VanDerWaalsContact C-N 3.33Å; S721-R723 PolarHBondContact O-N 3.27Å; S721-A724 WeakPolarHBondContact O-CB 3.31Å; S721-A724 PolarHBondContact O-N 3.36Å; S721-A724 VanDerWaalsContact O-N 3.14Å; S721-A725 PolarHBondContact O-N 3.47Å
722F90.6Very high86Confident29 Ų2978.5 Ų78.513%0.12739%0.392CS..Hα-helixtrans-60.1-42.1172.5176.6-123.8000112M658 E659 V662 K718 A724 A725 L726M658-F722 HydrophobicContact CB-CD2 3.78Å; M658-F722 HydrophobicContact CB-CE2 4.33Å; M658-F722 HydrophobicContact CE-CB 4.28Å; E659-F722 HydrophobicContact CB-CE1 4.45Å; E659-F722 HydrophobicContact CB-CE2 3.81Å; E659-F722 HydrophobicContact CB-CZ 3.57Å; E659-F722 HydrophobicContact CG-CE1 4.41Å; E659-F722 HydrophobicContact CG-CZ 3.82Å; V662-F722 HydrophobicContact CG2-CB 3.96Å; V662-F722 HydrophobicContact CG2-CG 4.36Å; K718-F722 PolarHBondContact O-N 2.65Å; F722-A724 VanDerWaalsContact C-N 3.29Å; F722-A724 PolarHBondContact O-N 3.36Å; F722-A725 PolarHBondContact O-N 3.46Å; F722-L726 HydrophobicContact CD1-CD1 4.13Å; F722-L726 HydrophobicContact CD2-CG 4.39Å; F722-L726 HydrophobicContact CE1-CD1 3.74Å; F722-L726 HydrophobicContact CE2-CD1 4.18Å; F722-L726 HydrophobicContact CE2-CD2 4.25Å; F722-L726 HydrophobicContact CE2-CG 4.07Å; F722-L726 HydrophobicContact CZ-CD1 3.77Å; F722-L726 HydrophobicContact CZ-CD2 4.27Å; F722-L726 HydrophobicContact CZ-CG 4.14Å; F722-L726 WeakPolarHBondContact O-CG 3.5Å; F722-L726 PolarHBondContact O-N 3.21Å
723R88.9Confident84.6Confident174 Ų17476.5 Ų76.566%0.65739%0.385SS*.Hα-helixtrans-64.3-30.7175.1-170.2176.9-171171.65113.4V719 K720 S721 Q727V719-R723 VanDerWaalsContact O-CB 3.27Å; V719-R723 WeakPolarHBondContact O-CB 3.34Å; V719-R723 PolarHBondContact O-N 3.2Å; K720-R723 PolarHBondContact O-N 3.07Å; S721-R723 VanDerWaalsContact C-N 3.33Å; S721-R723 PolarHBondContact O-N 3.27Å; R723-Q727 WeakPolarHBondContact O-CG 3.35Å; R723-Q727 PolarHBondContact O-N 3.07Å
724A87.9Confident83.2Confident44 Ų4480.8 Ų80.836%0.36440%0.4SS..Hα-helixtrans-71.4-47.117300000111.1K720 S721 F722 L726 Q727 E728K720-A724 PolarHBondContact O-N 3.14Å; S721-A724 WeakPolarHBondContact O-CB 3.31Å; S721-A724 PolarHBondContact O-N 3.36Å; S721-A724 VanDerWaalsContact O-N 3.14Å; F722-A724 VanDerWaalsContact C-N 3.29Å; F722-A724 PolarHBondContact O-N 3.36Å; A724-L726 VanDerWaalsContact C-N 3.33Å; A724-L726 PolarHBondContact O-N 3.49Å; A724-Q727 CarbonylContact O-C 3.57Å; A724-Q727 WeakPolarHBondContact O-CA 3.43Å; A724-Q727 WeakPolarHBondContact O-CB 3.47Å; A724-Q727 PolarHBondContact O-N 3.24Å; A724-E728 PolarHBondContact O-N 3.43Å
725A82.5Confident81.4Confident25 Ų2583.1 Ų83.121%0.20741%0.411CS..Hα-helixtrans-56.3-45.2176.100000112.2M658 S721 F722 Q727 E728 E729M658-A725 HydrophobicContact CE-CB 4.32Å; M658-A725 HydrophobicContact SD-CB 4.18Å; S721-A725 PolarHBondContact O-N 3.47Å; F722-A725 PolarHBondContact O-N 3.46Å; A725-Q727 VanDerWaalsContact C-N 3.28Å; A725-Q727 PolarHBondContact O-N 2.94Å; A725-E728 PolarHBondContact O-N 3.38Å; A725-E728 VanDerWaalsContact O-N 3.1Å; A725-E729 PolarHBondContact O-N 3.38Å
726L81.3Confident79.6Confident73 Ų7386.8 Ų86.838%0.38243%0.43SS..Hα-helixtrans-58.1-36.9172.9-72.8173.4000113M655 F722 A724 E730M655-L726 HydrophobicContact SD-CD2 3.97Å; F722-L726 HydrophobicContact CD1-CD1 4.13Å; F722-L726 HydrophobicContact CD2-CG 4.39Å; F722-L726 HydrophobicContact CE1-CD1 3.74Å; F722-L726 HydrophobicContact CE2-CD1 4.18Å; F722-L726 HydrophobicContact CE2-CD2 4.25Å; F722-L726 HydrophobicContact CE2-CG 4.07Å; F722-L726 HydrophobicContact CZ-CD1 3.77Å; F722-L726 HydrophobicContact CZ-CD2 4.27Å; F722-L726 HydrophobicContact CZ-CG 4.14Å; F722-L726 WeakPolarHBondContact O-CG 3.5Å; F722-L726 PolarHBondContact O-N 3.21Å; A724-L726 VanDerWaalsContact C-N 3.33Å; A724-L726 PolarHBondContact O-N 3.49Å; L726-E730 WeakPolarHBondContact O-CB 3.49Å; L726-E730 PolarHBondContact O-N 3.35Å
727Q81.4Confident77.3Confident103 Ų10388.1 Ų88.148%0.48145%0.446SS..Hα-helixtrans-75.5-25.2176.8-74.5178.7-1.300113.1R723 A724 A725 Q731R723-Q727 WeakPolarHBondContact O-CG 3.35Å; R723-Q727 PolarHBondContact O-N 3.07Å; A724-Q727 CarbonylContact O-C 3.57Å; A724-Q727 WeakPolarHBondContact O-CA 3.43Å; A724-Q727 WeakPolarHBondContact O-CB 3.47Å; A724-Q727 PolarHBondContact O-N 3.24Å; A725-Q727 VanDerWaalsContact C-N 3.28Å; A725-Q727 PolarHBondContact O-N 2.94Å; Q727-Q731 VanDerWaalsContact O-CG 3.27Å; Q727-Q731 WeakPolarHBondContact O-CG 3.48Å; Q727-Q731 PolarHBondContact O-N 2.94Å; Q727-Q731 PolarHBondContact O-NE2 3Å
728E77.5Confident75Confident138 Ų13890.8 Ų90.865%0.64547%0.466SS*.Hα-helixtrans-79.1-40.4174.5-69.8-173.317600111.5A724 A725 Q731 A732A724-E728 PolarHBondContact O-N 3.43Å; A725-E728 PolarHBondContact O-N 3.38Å; A725-E728 VanDerWaalsContact O-N 3.1Å; E728-Q731 CarbonylContact O-C 3.57Å; E728-Q731 PolarHBondContact O-N 3.18Å; E728-Q731 VanDerWaalsContact O-N 3.11Å; E728-A732 WeakPolarHBondContact O-CB 3.28Å; E728-A732 PolarHBondContact O-N 3.16Å
729E75.1Confident72.6Confident53 Ų5397.2 Ų97.225%0.24849%0.494CS..Hα-helixtrans-59.1-48.5168.4-173-74.6141.400110.7F648 M655 A725 Q731 A732 S733F648-E729 HydrophobicContact CE2-CG 4.38Å; M655-E729 HydrophobicContact CE-CB 3.94Å; M655-E729 HydrophobicContact CE-CG 3.66Å; M655-E729 HydrophobicContact SD-CB 3.56Å; M655-E729 VanDerWaalsContact SD-CB 3.56Å; M655-E729 HydrophobicContact SD-CG 4.01Å; A725-E729 PolarHBondContact O-N 3.38Å; E729-Q731 PolarHBondContact O-N 3.41Å; E729-A732 PolarHBondContact O-N 3.04Å; E729-S733 PolarHBondContact O-N 3.22Å; E729-S733 PolarHBondContact O-OG 3.33Å; E729-S733 WeakPolarHBondContact OE1-CB 3.46Å; E729-S733 PolarHBondContact OE1-OG 3.47Å
730E72.9Confident70.1Confident106 Ų106105.5 Ų105.550%0.49552%0.518SS..Hα-helixtrans-63.2-13.5-179.7-149.8-142.414400111.8L726 K734L726-E730 WeakPolarHBondContact O-CB 3.49Å; L726-E730 PolarHBondContact O-N 3.35Å; E730-K734 IonicContact OE2-NZ 3.13Å; E730-K734 PolarHBondContact OE1-NZ 3.34Å; E730-K734 IonicContact OE1-NZ 2.73Å; E730-K734 WeakPolarHBondContact OE1-CE 3.44Å; E730-K734 PolarHBondContact O-NZ 3.36Å; E730-K734 WeakPolarHBondContact O-CG 3.39Å; E730-K734 WeakPolarHBondContact O-CE 3.44Å; E730-K734 WeakPolarHBondContact O-CD 3.05Å; E730-K734 VanDerWaalsContact OE1-CE 3.32Å
731Q71Confident67.6Low113 Ų113105.8 Ų105.853%0.52853%0.532SS..Hα-helixtrans-96.4-29.9171.4-7517588.100113.3Q727 E728 E729 Q735Q727-Q731 VanDerWaalsContact O-CG 3.27Å; Q727-Q731 WeakPolarHBondContact O-CG 3.48Å; Q727-Q731 PolarHBondContact O-N 2.94Å; Q727-Q731 PolarHBondContact O-NE2 3Å; E728-Q731 CarbonylContact O-C 3.57Å; E728-Q731 PolarHBondContact O-N 3.18Å; E728-Q731 VanDerWaalsContact O-N 3.11Å; E729-Q731 PolarHBondContact O-N 3.41Å; Q731-Q735 WeakPolarHBondContact O-CG 3.42Å; Q731-Q735 PolarHBondContact O-NE2 3.14Å; Q731-Q735 VanDerWaalsContact O-NE2 3.13Å
732A66.1Low65.3Low42 Ų42114.1 Ų114.135%0.34755%0.553SS.*Hα-helixtrans-71.9-47.4174.600000111.7E728 E729 K734 Q735 I736E728-A732 WeakPolarHBondContact O-CB 3.28Å; E728-A732 PolarHBondContact O-N 3.16Å; E729-A732 PolarHBondContact O-N 3.04Å; A732-K734 PolarHBondContact O-N 3.26Å; A732-Q735 WeakPolarHBondContact O-CA 3.46Å; A732-Q735 PolarHBondContact O-N 2.98Å; A732-Q735 WeakPolarHBondContact O-CB 3.49Å; A732-I736 PolarHBondContact O-N 2.95Å
733S62.9Low62.8Low47 Ų47117.6 Ų117.633%0.32959%0.587SS.*THydrogen-bonded Turntrans-64-25177.151.50000113.3E729 Q735E729-S733 PolarHBondContact O-N 3.22Å; E729-S733 PolarHBondContact O-OG 3.33Å; E729-S733 WeakPolarHBondContact OE1-CB 3.46Å; E729-S733 PolarHBondContact OE1-OG 3.47Å; S733-Q735 PolarHBondContact O-N 2.96Å
734K63.8Low60.1Low133 Ų133121.2 Ų121.258%0.57862%0.618SS**THydrogen-bonded Turntrans-71.3-13169.7-71.1175-168.8125.80114.3E730 A732E730-K734 IonicContact OE2-NZ 3.13Å; E730-K734 PolarHBondContact OE1-NZ 3.34Å; E730-K734 IonicContact OE1-NZ 2.73Å; E730-K734 WeakPolarHBondContact OE1-CE 3.44Å; E730-K734 PolarHBondContact O-NZ 3.36Å; E730-K734 WeakPolarHBondContact O-CG 3.39Å; E730-K734 WeakPolarHBondContact O-CE 3.44Å; E730-K734 WeakPolarHBondContact O-CD 3.05Å; E730-K734 VanDerWaalsContact OE1-CE 3.32Å; A732-K734 PolarHBondContact O-N 3.26Å
735Q55.4Low58.8Low156 Ų156125.1 Ų125.173%0.72963%0.63SS**THydrogen-bonded Turntrans-102.2-26.1178.1-66.7178.17200112.9Q731 A732 S733 N737Q731-Q735 WeakPolarHBondContact O-CG 3.42Å; Q731-Q735 PolarHBondContact O-NE2 3.14Å; Q731-Q735 VanDerWaalsContact O-NE2 3.13Å; A732-Q735 WeakPolarHBondContact O-CA 3.46Å; A732-Q735 PolarHBondContact O-N 2.98Å; A732-Q735 WeakPolarHBondContact O-CB 3.49Å; S733-Q735 PolarHBondContact O-N 2.96Å; Q735-N737 PolarHBondContact O-N 3.23Å; Q735-N737 VanDerWaalsContact O-N 3.08Å
736I57.2Low57.5Low99 Ų99130.3 Ų130.351%0.50865%0.653SS.*  trans-71.2102175.8-60.6171.6000109.6F648 A732F648-I736 HydrophobicContact CB-CD1 4.38Å; F648-I736 HydrophobicContact CD2-CD1 3.52Å; F648-I736 HydrophobicContact CE2-CD1 4Å; F648-I736 HydrophobicContact CG-CD1 4.01Å; A732-I736 PolarHBondContact O-N 2.95Å
737N46.6Very low56.2Low143 Ų143133.5 Ų133.577%0.76567%0.668SS**  trans-113.9110.6-179.3-173.224.9000109.9Q735 K739Q735-N737 PolarHBondContact O-N 3.23Å; Q735-N737 VanDerWaalsContact O-N 3.08Å; N737-K739 PolarHBondContact O-N 2.9Å
738P47.2Very low54.7Low111 Ų111135.3 Ų135.372%0.72168%0.679SS**PPolyproline II helixtrans-67.9118.5-169.925.6-33.9000111.9R740P738-R740 PolarHBondContact O-N 3.37Å
739K40.8Very low53.3Low202 Ų202135.1 Ų135.188%0.87868%0.681SS**PPolyproline II helixtrans-65.3124.1167.1-71.3176.8-178.9169.10108.3N737N737-K739 PolarHBondContact O-N 2.9Å
740R40.1Very low51.8Low238 Ų238140.6 Ų140.690%0.89871%0.71SS**PPolyproline II helixtrans-64.6136.6168.2-77.7179.9165.8-171.9-7.7109.8P738P738-R740 PolarHBondContact O-N 3.37Å
741P40.8Very low50.3Low123 Ų123143.1 Ų143.180%0.79973%0.725SS**PPolyproline II helixtrans-60.8149.916027.9-33.4000109.6
742R40.4Very low48.7Very low245 Ų245145.4 Ų145.493%0.92574%0.74SS**PPolyproline II helixtrans-80.9129.3167.8-87.3-179.4164.9175.3-5.1108.1
743A38.4Very low47.3Very low102 Ų102154 Ų15484%0.84377%0.773SS**PPolyproline II helixtrans-69138.4171.300000111.1
744L33.7Very low45.9Very low249 Ų249163.7 Ų163.7100%1.30481%0.813SS**  trans-131.50155-88.2170.5000107.3

Retrieved 744 of 744 residues in 129.4 ms (Link to these results)

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