A0A093HS07_STRCA Loading...

Centromere protein N

AlphaFold DB , UniProt , Accession A0A093HS07, Species STRCA (Struthio camelus australis), Gene n/a, Length 346 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
1M61.8Low85.3Confident78 Ų7866 Ų6638%0.38431%0.309SS..  0151.40-173.1-173.1-68.600108.7E3 V5 A6 I9 C56 E57 V61M1-E3 PolarHBondContact O-N 3.19Å; M1-V5 HydrophobicContact CG-CB 3.85Å; M1-V5 HydrophobicContact CG-CG1 4.16Å; M1-V5 HydrophobicContact SD-CB 3.74Å; M1-V5 HydrophobicContact SD-CG1 3.71Å; M1-A6 HydrophobicContact SD-CB 3.75Å; M1-A6 PolarHBondContact SD-N 2.98Å; M1-I9 HydrophobicContact CE-CD1 4.28Å; M1-I9 HydrophobicContact SD-CD1 4.38Å; M1-C56 HydrophobicContact CE-CB 3.84Å; M1-C56 WeakPolarHBondContact CE-O 3.35Å; M1-E57 HydrophobicContact CB-CG 3.96Å; M1-E57 HydrophobicContact CE-CG 4.04Å; M1-E57 HydrophobicContact SD-CG 4.17Å; M1-V61 HydrophobicContact CE-CB 3.57Å; M1-V61 HydrophobicContact CE-CG2 4.12Å
2D77.9Confident85.8Confident100 Ų10060.6 Ų60.654%0.53528%0.284SS..  trans-62.9127164.6-97.8-5.3000108.9I4 V5 A6D2-I4 PolarHBondContact O-N 3.07Å; D2-V5 HydrophobicContact CB-CG2 3.98Å; D2-V5 WeakPolarHBondContact O-CB 3.43Å; D2-V5 PolarHBondContact O-N 3.33Å; D2-A6 PolarHBondContact O-N 2.92Å
3E82.3Confident86.2Confident171 Ų17155.9 Ų55.980%0.79926%0.262SS*.Hα-helixtrans-50.6-32.1179.2-171.1-175.9175.300112.7M1 V5 A6 E7M1-E3 PolarHBondContact O-N 3.19Å; E3-V5 VanDerWaalsContact C-N 3.31Å; E3-V5 PolarHBondContact O-N 3.45Å; E3-A6 PolarHBondContact O-N 3.23Å; E3-E7 PolarHBondContact O-N 3.17Å
4I85.1Confident86.7Confident106 Ų10655.2 Ų55.254%0.54426%0.261SS..Hα-helixtrans-63.3-35.9177.3-57.8174.8000111.9D2 Y8D2-I4 PolarHBondContact O-N 3.07Å; I4-Y8 VanDerWaalsContact O-CB 3.23Å; I4-Y8 WeakPolarHBondContact O-CB 3.31Å; I4-Y8 PolarHBondContact O-N 3.32Å
5V87.6Confident86.9Confident13 Ų1357.7 Ų57.78%0.07927%0.27CS..Hα-helixtrans-74.1-41.1179.7-178.60000110M1 D2 E3 Y8 I9 I63 A66M1-V5 HydrophobicContact CG-CB 3.85Å; M1-V5 HydrophobicContact CG-CG1 4.16Å; M1-V5 HydrophobicContact SD-CB 3.74Å; M1-V5 HydrophobicContact SD-CG1 3.71Å; D2-V5 HydrophobicContact CB-CG2 3.98Å; D2-V5 WeakPolarHBondContact O-CB 3.43Å; D2-V5 PolarHBondContact O-N 3.33Å; E3-V5 VanDerWaalsContact C-N 3.31Å; E3-V5 PolarHBondContact O-N 3.45Å; V5-Y8 WeakPolarHBondContact O-CB 3.3Å; V5-Y8 PolarHBondContact O-N 3.43Å; V5-I9 HydrophobicContact CG1-CD1 4.11Å; V5-I9 WeakPolarHBondContact O-CG1 3.37Å; V5-I9 PolarHBondContact O-N 3.16Å; V5-I63 HydrophobicContact CG2-CB 4.18Å; V5-I63 HydrophobicContact CG2-CD1 4.26Å; V5-A66 HydrophobicContact CG1-CB 4.07Å
6A87.9Confident87.2Confident9 Ų954.1 Ų54.17%0.07425%0.253CS..Hα-helixtrans-60.8-49.4176.400000111.1M1 D2 E3 Y8 I9 R10 E57M1-A6 HydrophobicContact SD-CB 3.75Å; M1-A6 PolarHBondContact SD-N 2.98Å; D2-A6 PolarHBondContact O-N 2.92Å; E3-A6 PolarHBondContact O-N 3.23Å; A6-Y8 VanDerWaalsContact C-N 3.27Å; A6-Y8 PolarHBondContact O-N 3.33Å; A6-I9 PolarHBondContact O-N 3.29Å; A6-R10 WeakPolarHBondContact O-CB 3.45Å; A6-R10 PolarHBondContact O-N 3.42Å; A6-E57 HydrophobicContact CB-CG 4.41Å; A6-E57 VanDerWaalsContact CB-OE1 3.25Å; A6-E57 WeakPolarHBondContact CB-OE1 3.47Å
7E90.5Very high87.4Confident50 Ų5053.6 Ų53.623%0.23426%0.256CS..Hα-helixtrans-63.7-34.2176.8177.960.7-175.500112.1E3 R10 R11E3-E7 PolarHBondContact O-N 3.17Å; E7-R10 PolarHBondContact O-N 2.99Å; E7-R10 IonicContact OE1-NH2 3.32Å; E7-R10 PolarHBondContact OE1-NH2 2.75Å; E7-R10 IonicContact OE2-CZ 3.19Å; E7-R10 IonicContact OE2-NE 2.77Å; E7-R10 PolarHBondContact OE2-NE 2.86Å; E7-R10 IonicContact OE2-NH2 3.02Å; E7-R10 PolarHBondContact OE2-NH2 2.99Å; E7-R11 WeakPolarHBondContact O-CB 3.4Å; E7-R11 WeakPolarHBondContact O-CG 3.5Å; E7-R11 PolarHBondContact O-N 3.19Å; E7-R11 IonicContact OE1-CZ 3.56Å; E7-R11 IonicContact OE1-NE 2.74Å; E7-R11 PolarHBondContact OE1-NE 3.11Å; E7-R11 IonicContact OE1-NH2 2.79Å; E7-R11 PolarHBondContact OE1-NH2 3.33Å
8Y90.4Very high87.4Confident3 Ų357.1 Ų57.11%0.01227%0.266CS..Hα-helixtrans-66.7-42.7176.1179.4-107.8000112.5I4 V5 A6 T12 I63 A66 D70 R133 Q145 Y146I4-Y8 VanDerWaalsContact O-CB 3.23Å; I4-Y8 WeakPolarHBondContact O-CB 3.31Å; I4-Y8 PolarHBondContact O-N 3.32Å; V5-Y8 WeakPolarHBondContact O-CB 3.3Å; V5-Y8 PolarHBondContact O-N 3.43Å; A6-Y8 VanDerWaalsContact C-N 3.27Å; A6-Y8 PolarHBondContact O-N 3.33Å; Y8-T12 WeakPolarHBondContact O-CB 3.44Å; Y8-T12 PolarHBondContact O-N 3.33Å; Y8-T12 PolarHBondContact O-OG1 3Å; Y8-I63 HydrophobicContact CD1-CD1 4.25Å; Y8-A66 HydrophobicContact CD1-CB 3.94Å; Y8-A66 HydrophobicContact CE1-CB 4.21Å; Y8-D70 WeakPolarHBondContact OH-CB 3.09Å; Y8-D70 PolarHBondContact OH-OD2 3.34Å; Y8-R133 PolarHBondContact OH-NH2 2.97Å; Y8-Q145 HydrophobicContact CD2-CB 3.99Å; Y8-Q145 HydrophobicContact CE2-CB 3.86Å; Y8-Q145 WeakPolarHBondContact CE2-O 3.46Å; Y8-Q145 HydrophobicContact CG-CB 4.44Å; Y8-Y146 HydrophobicContact CD2-CD1 4.07Å; Y8-Y146 AromaticContact CD2-CE1 3.68Å; Y8-Y146 HydrophobicContact CD2-CE1 3.68Å; Y8-Y146 AromaticContact CD2-CZ 4Å; Y8-Y146 HydrophobicContact CE2-CD1 4.28Å; Y8-Y146 HydrophobicContact CE2-CE1 4.33Å
9I90.6Very high87.4Confident1 Ų161.6 Ų61.61%0.00529%0.292CS..Hα-helixtrans-62.2-50173.8-67.8167.1000109.4M1 V5 A6 R11 T12 V13 V52 C56 V61 A66 L69M1-I9 HydrophobicContact CE-CD1 4.28Å; M1-I9 HydrophobicContact SD-CD1 4.38Å; V5-I9 HydrophobicContact CG1-CD1 4.11Å; V5-I9 WeakPolarHBondContact O-CG1 3.37Å; V5-I9 PolarHBondContact O-N 3.16Å; A6-I9 PolarHBondContact O-N 3.29Å; I9-R11 PolarHBondContact O-N 2.77Å; I9-T12 WeakPolarHBondContact O-CA 3.46Å; I9-T12 WeakPolarHBondContact O-CB 3.3Å; I9-T12 PolarHBondContact O-N 3.11Å; I9-V13 HydrophobicContact CG2-CG2 4.38Å; I9-V13 WeakPolarHBondContact O-CG2 3.46Å; I9-V13 PolarHBondContact O-N 3.4Å; I9-V52 HydrophobicContact CG2-CG1 4.2Å; I9-C56 HydrophobicContact CD1-CB 3.94Å; I9-V61 HydrophobicContact CD1-CB 4.27Å; I9-V61 HydrophobicContact CD1-CG1 3.96Å; I9-A66 HydrophobicContact CD1-CB 4.05Å; I9-A66 HydrophobicContact CG1-CB 3.68Å; I9-L69 HydrophobicContact CG2-CD2 4.45Å
10R92.6Very high87.5Confident77 Ų7762.1 Ų62.129%0.29129%0.294SS..Hα-helixtrans-51.7-53178.6-166.2178.476.7144.34.5111.7A6 E7 T12 V13 L14 S49 Q50A6-R10 WeakPolarHBondContact O-CB 3.45Å; A6-R10 PolarHBondContact O-N 3.42Å; E7-R10 PolarHBondContact O-N 2.99Å; E7-R10 IonicContact OE1-NH2 3.32Å; E7-R10 PolarHBondContact OE1-NH2 2.75Å; E7-R10 IonicContact OE2-CZ 3.19Å; E7-R10 IonicContact OE2-NE 2.77Å; E7-R10 PolarHBondContact OE2-NE 2.86Å; E7-R10 IonicContact OE2-NH2 3.02Å; E7-R10 PolarHBondContact OE2-NH2 2.99Å; R10-T12 VanDerWaalsContact C-N 3.28Å; R10-T12 PolarHBondContact O-N 3.47Å; R10-V13 PolarHBondContact O-N 2.94Å; R10-L14 WeakPolarHBondContact O-CG 3.41Å; R10-L14 PolarHBondContact O-N 3.49Å; R10-S49 WeakPolarHBondContact CG-OG 3.3Å; R10-Q50 VanDerWaalsContact CD-OE1 3.27Å
11R91.9Very high87.6Confident118 Ų11859.3 Ų59.345%0.44528%0.281SS..Hα-helixtrans-63.5-30.9177.7-74.4-179.5179.2-157.61.3113.8E7 I9 K15 Y146E7-R11 WeakPolarHBondContact O-CB 3.4Å; E7-R11 WeakPolarHBondContact O-CG 3.5Å; E7-R11 PolarHBondContact O-N 3.19Å; E7-R11 IonicContact OE1-CZ 3.56Å; E7-R11 IonicContact OE1-NE 2.74Å; E7-R11 PolarHBondContact OE1-NE 3.11Å; E7-R11 IonicContact OE1-NH2 2.79Å; E7-R11 PolarHBondContact OE1-NH2 3.33Å; I9-R11 PolarHBondContact O-N 2.77Å; R11-K15 WeakPolarHBondContact O-CG 3.18Å; R11-K15 PolarHBondContact O-N 3.48Å; R11-Y146 HydrophobicContact CB-CE1 4.5Å
12T90.8Very high88.9Confident1 Ų160.4 Ų60.41%0.00628%0.284CS..Hα-helixtrans-70.4-43.6177-59.10000109.9Y8 I9 R10 L14 K15 I16 L69Y8-T12 WeakPolarHBondContact O-CB 3.44Å; Y8-T12 PolarHBondContact O-N 3.33Å; Y8-T12 PolarHBondContact O-OG1 3Å; I9-T12 WeakPolarHBondContact O-CA 3.46Å; I9-T12 WeakPolarHBondContact O-CB 3.3Å; I9-T12 PolarHBondContact O-N 3.11Å; R10-T12 VanDerWaalsContact C-N 3.28Å; R10-T12 PolarHBondContact O-N 3.47Å; T12-L14 PolarHBondContact O-N 3.33Å; T12-K15 WeakPolarHBondContact O-CB 3.36Å; T12-K15 PolarHBondContact O-N 2.99Å; T12-I16 WeakPolarHBondContact O-CG1 3.32Å; T12-L69 HydrophobicContact CG2-CD2 4.13Å; T12-L69 HydrophobicContact CG2-CG 4.04Å
13V91.5Very high89.5Confident0 Ų059 Ų590%028%0.279CS..Hα-helixtrans-62.6-40.9175.51770000112I9 R10 K15 I16 I21 V52 L69I9-V13 HydrophobicContact CG2-CG2 4.38Å; I9-V13 WeakPolarHBondContact O-CG2 3.46Å; I9-V13 PolarHBondContact O-N 3.4Å; R10-V13 PolarHBondContact O-N 2.94Å; V13-K15 PolarHBondContact O-N 3.33Å; V13-I16 HydrophobicContact CB-CD1 4.45Å; V13-I16 VanDerWaalsContact O-CB 3.3Å; V13-I16 WeakPolarHBondContact O-CB 3.29Å; V13-I16 VanDerWaalsContact O-CG1 3.32Å; V13-I16 WeakPolarHBondContact O-CG1 3.19Å; V13-I16 PolarHBondContact O-N 3.24Å; V13-I21 HydrophobicContact CG1-CD1 4.36Å; V13-I21 HydrophobicContact CG1-CG2 4.16Å; V13-V52 HydrophobicContact CG2-CG1 4.02Å; V13-L69 HydrophobicContact CG2-CD2 4.4Å
14L92.6Very high89.9Confident46 Ų4650.8 Ų50.824%0.24124%0.24CC..Hα-helixtrans-62-25.5177.8-71.9176.7000114.2R10 T12 I16 K45 D46R10-L14 WeakPolarHBondContact O-CG 3.41Å; R10-L14 PolarHBondContact O-N 3.49Å; T12-L14 PolarHBondContact O-N 3.33Å; L14-I16 VanDerWaalsContact C-N 3.27Å; L14-I16 PolarHBondContact O-N 3.14Å; L14-K45 HydrophobicContact CD2-CB 4.08Å; L14-K45 WeakPolarHBondContact O-CE 3.46Å; L14-K45 PolarHBondContact O-NZ 3.18Å; L14-D46 WeakPolarHBondContact CD2-OD1 3.46Å
15K90.3Very high90.2Very high93 Ų9345.8 Ų45.840%0.40422%0.215SC..THydrogen-bonded Turntrans-75.8-17176.6-69.5169.1-176175.20113.6R11 T12 V13 Y73R11-K15 WeakPolarHBondContact O-CG 3.18Å; R11-K15 PolarHBondContact O-N 3.48Å; T12-K15 WeakPolarHBondContact O-CB 3.36Å; T12-K15 PolarHBondContact O-N 2.99Å; V13-K15 PolarHBondContact O-N 3.33Å; K15-Y73 HydrophobicContact CB-CE2 3.85Å; K15-Y73 HydrophobicContact CD-CE1 4.48Å
16I91.4Very high90.3Very high0 Ų049.6 Ų49.60%023%0.232CC..SBendtrans-79.3134.3-176.7-47.1175.4000108.8T12 V13 L14 E20 I21 M24 K45 Y73T12-I16 WeakPolarHBondContact O-CG1 3.32Å; V13-I16 HydrophobicContact CB-CD1 4.45Å; V13-I16 VanDerWaalsContact O-CB 3.3Å; V13-I16 WeakPolarHBondContact O-CB 3.29Å; V13-I16 VanDerWaalsContact O-CG1 3.32Å; V13-I16 WeakPolarHBondContact O-CG1 3.19Å; V13-I16 PolarHBondContact O-N 3.24Å; L14-I16 VanDerWaalsContact C-N 3.27Å; L14-I16 PolarHBondContact O-N 3.14Å; I16-E20 HydrophobicContact CG2-CB 4.19Å; I16-I21 HydrophobicContact CB-CG1 3.88Å; I16-I21 HydrophobicContact CG2-CB 4.47Å; I16-I21 HydrophobicContact CG2-CG1 3.8Å; I16-M24 HydrophobicContact CB-CE 3.71Å; I16-M24 HydrophobicContact CD1-CB 4.42Å; I16-M24 HydrophobicContact CD1-CE 3.2Å; I16-M24 HydrophobicContact CG1-CE 3.14Å; I16-M24 HydrophobicContact CG2-CE 3.22Å; I16-M24 HydrophobicContact CG2-CG 4.49Å; I16-K45 VanDerWaalsContact O-CE 3.31Å; I16-K45 WeakPolarHBondContact O-CE 3.43Å; I16-K45 PolarHBondContact O-NZ 2.97Å; I16-Y73 HydrophobicContact CG1-CD2 4.2Å
17P90.2Very high90.4Very high45 Ų4552.5 Ų52.529%0.29225%0.249SC..  trans-54.9139.9166.8-22.434.8000110.8D19 E20 I21 Y77P17-D19 VanDerWaalsContact C-N 3.25Å; P17-D19 PolarHBondContact O-N 2.89Å; P17-E20 PolarHBondContact O-N 3.18Å; P17-I21 PolarHBondContact O-N 3.19Å; P17-Y77 WeakPolarHBondContact CD-OH 3.29Å; P17-Y77 HydrophobicContact CG-CE1 4.49Å; P17-Y77 VanDerWaalsContact CG-OH 3.28Å; P17-Y77 WeakPolarHBondContact CG-OH 3.41Å
18R87.3Confident90.4Very high116 Ų11650.8 Ų50.844%0.43824%0.24SC..G310 helixtrans-53.1-44.9-172-176.4-177.3-177.5176.95.7112.7E20 I21 F41 H42 Q43 K45R18-E20 PolarHBondContact O-N 3.49Å; R18-I21 PolarHBondContact O-N 2.7Å; R18-F41 PolarHBondContact NE-O 2.99Å; R18-F41 PolarHBondContact NH2-O 3.02Å; R18-H42 PolarHBondContact NH2-O 2.81Å; R18-Q43 PolarHBondContact NH2-O 3Å; R18-K45 HydrophobicContact CB-CD 4.28Å; R18-K45 HydrophobicContact CB-CG 4.4Å; R18-K45 HydrophobicContact CG-CG 4.5Å
19D87.9Confident90.2Very high143 Ų14353.6 Ų53.677%0.76527%0.269SS*.G310 helixtrans-69.1-17.7-173.8-48.1-41.5000112.4P17P17-D19 VanDerWaalsContact C-N 3.25Å; P17-D19 PolarHBondContact O-N 2.89Å
20E90.3Very high90Very high72 Ų7256.4 Ų56.434%0.33628%0.282SS..G310 helixtrans-105.9-2.2-177.7-63.5-178.7-126.400113.3I16 P17 R18 K22 T23 M24 Y77I16-E20 HydrophobicContact CG2-CB 4.19Å; P17-E20 PolarHBondContact O-N 3.18Å; R18-E20 PolarHBondContact O-N 3.49Å; E20-K22 PolarHBondContact O-N 3.24Å; E20-T23 WeakPolarHBondContact CA-OG1 3.46Å; E20-T23 PolarHBondContact O-OG1 3.3Å; E20-M24 WeakPolarHBondContact O-CB 3.29Å; E20-M24 WeakPolarHBondContact O-CG 3.28Å; E20-M24 PolarHBondContact O-N 3.07Å; E20-Y77 PolarHBondContact OE1-OH 3.2Å; E20-Y77 PolarHBondContact OE2-OH 3.43Å
21I89.8Confident89.8Confident3 Ų353.1 Ų53.12%0.01527%0.27CS..Hα-helixtrans-60.1-48.9179.5-67.6173.3000110.3V13 I16 P17 R18 T23 M24 L25 F41 K45 V48V13-I21 HydrophobicContact CG1-CD1 4.36Å; V13-I21 HydrophobicContact CG1-CG2 4.16Å; I16-I21 HydrophobicContact CB-CG1 3.88Å; I16-I21 HydrophobicContact CG2-CB 4.47Å; I16-I21 HydrophobicContact CG2-CG1 3.8Å; P17-I21 PolarHBondContact O-N 3.19Å; R18-I21 PolarHBondContact O-N 2.7Å; I21-T23 PolarHBondContact O-N 3.28Å; I21-M24 PolarHBondContact O-N 2.94Å; I21-L25 HydrophobicContact CG2-CD1 3.84Å; I21-L25 HydrophobicContact CG2-CG 4.31Å; I21-L25 WeakPolarHBondContact O-CG 3.38Å; I21-L25 PolarHBondContact O-N 3.5Å; I21-F41 HydrophobicContact CG2-CD1 4.3Å; I21-F41 HydrophobicContact CG2-CE1 4Å; I21-K45 HydrophobicContact CD1-CG 4.37Å; I21-V48 HydrophobicContact CG2-CG1 4.28Å
22K89Confident89.5Confident101 Ų10150 Ų5044%0.43927%0.266SS..Hα-helixtrans-61.3-47.5-177.1-174.9178.2179.3-179.70111.7E20 M24 L25 Q26 F41E20-K22 PolarHBondContact O-N 3.24Å; K22-M24 VanDerWaalsContact C-N 3.34Å; K22-M24 PolarHBondContact O-N 2.87Å; K22-L25 PolarHBondContact O-N 3.05Å; K22-Q26 VanDerWaalsContact O-CG 3.29Å; K22-Q26 WeakPolarHBondContact O-CG 3.32Å; K22-Q26 PolarHBondContact O-N 3.04Å; K22-F41 HydrophobicContact CB-CE1 4.26Å; K22-F41 HydrophobicContact CB-CE2 4.36Å; K22-F41 HydrophobicContact CB-CZ 4.14Å; K22-F41 HydrophobicContact CD-CD2 4.42Å; K22-F41 HydrophobicContact CD-CE2 4.15Å; K22-F41 HydrophobicContact CG-CE2 4.11Å; K22-F41 HydrophobicContact CG-CZ 4.15Å
23T90.8Very high89.2Confident70 Ų7056.9 Ų56.943%0.42930%0.298SS..Hα-helixtrans-65.4-36.3-179.252.20000112.2E20 I21 T27E20-T23 WeakPolarHBondContact CA-OG1 3.46Å; E20-T23 PolarHBondContact O-OG1 3.3Å; I21-T23 PolarHBondContact O-N 3.28Å; T23-T27 WeakPolarHBondContact O-CB 3.11Å; T23-T27 PolarHBondContact O-N 3.08Å; T23-T27 PolarHBondContact O-OG1 3.31Å
24M90.4Very high88.9Confident0 Ų066.8 Ų66.80%034%0.336CS..Hα-helixtrans-70.3-40.3175-79.6-130.6-73.800113.3I16 E20 I21 K22 Q26 T27 W28 I72 Y73 I76 Y77I16-M24 HydrophobicContact CB-CE 3.71Å; I16-M24 HydrophobicContact CD1-CB 4.42Å; I16-M24 HydrophobicContact CD1-CE 3.2Å; I16-M24 HydrophobicContact CG1-CE 3.14Å; I16-M24 HydrophobicContact CG2-CE 3.22Å; I16-M24 HydrophobicContact CG2-CG 4.49Å; E20-M24 WeakPolarHBondContact O-CB 3.29Å; E20-M24 WeakPolarHBondContact O-CG 3.28Å; E20-M24 PolarHBondContact O-N 3.07Å; I21-M24 PolarHBondContact O-N 2.94Å; K22-M24 VanDerWaalsContact C-N 3.34Å; K22-M24 PolarHBondContact O-N 2.87Å; M24-Q26 VanDerWaalsContact C-N 3.31Å; M24-Q26 PolarHBondContact O-N 3.25Å; M24-T27 PolarHBondContact O-N 3.48Å; M24-W28 WeakPolarHBondContact O-CB 3.42Å; M24-W28 PolarHBondContact O-N 2.99Å; M24-I72 HydrophobicContact SD-CG2 3.97Å; M24-Y73 HydrophobicContact CE-CD2 3.75Å; M24-Y73 HydrophobicContact CE-CG 4.48Å; M24-I76 HydrophobicContact CG-CD1 3.75Å; M24-I76 HydrophobicContact SD-CD1 3.62Å; M24-I76 HydrophobicContact SD-CG1 4.44Å; M24-Y77 HydrophobicContact CE-CE2 4.26Å
25L90.6Very high88.6Confident0 Ų066.7 Ų66.70%033%0.334CS..Hα-helixtrans-65.9-35.8175.3-67175000111.7I21 K22 W28 G29 L31 L36 L39 F41 V52I21-L25 HydrophobicContact CG2-CD1 3.84Å; I21-L25 HydrophobicContact CG2-CG 4.31Å; I21-L25 WeakPolarHBondContact O-CG 3.38Å; I21-L25 PolarHBondContact O-N 3.5Å; K22-L25 PolarHBondContact O-N 3.05Å; L25-W28 HydrophobicContact CD2-CE3 4.02Å; L25-W28 HydrophobicContact CD2-CZ3 4.45Å; L25-W28 WeakPolarHBondContact O-CB 3.05Å; L25-W28 PolarHBondContact O-N 3.45Å; L25-G29 PolarHBondContact O-N 3.34Å; L25-L31 HydrophobicContact CD2-CD1 4.41Å; L25-L36 HydrophobicContact CB-CD2 3.7Å; L25-L36 HydrophobicContact CD1-CD2 3.99Å; L25-L36 HydrophobicContact CG-CD2 4.48Å; L25-L39 HydrophobicContact CD1-CD1 4.36Å; L25-F41 HydrophobicContact CD1-CE1 4.3Å; L25-V52 HydrophobicContact CD1-CG2 3.8Å; L25-V52 HydrophobicContact CD2-CG1 4.19Å
26Q90.6Very high88.4Confident93 Ų9362.6 Ų62.644%0.43532%0.317SS..Hα-helixtrans-63-47.2171.3-72.6173.1-37.200111.6K22 M24 W28 G29 L36K22-Q26 VanDerWaalsContact O-CG 3.29Å; K22-Q26 WeakPolarHBondContact O-CG 3.32Å; K22-Q26 PolarHBondContact O-N 3.04Å; M24-Q26 VanDerWaalsContact C-N 3.31Å; M24-Q26 PolarHBondContact O-N 3.25Å; Q26-W28 PolarHBondContact O-N 3.28Å; Q26-G29 PolarHBondContact O-N 3.31Å; Q26-L36 HydrophobicContact CG-CD1 3.78Å
27T89.5Confident88.1Confident71 Ų7169.9 Ų69.944%0.43635%0.351SS..Hα-helixtrans-63.8-25176.3-54.80000113.1T23 M24 I72 R123T23-T27 WeakPolarHBondContact O-CB 3.11Å; T23-T27 PolarHBondContact O-N 3.08Å; T23-T27 PolarHBondContact O-OG1 3.31Å; M24-T27 PolarHBondContact O-N 3.48Å; T27-I72 HydrophobicContact CG2-CD1 4.49Å; T27-I72 HydrophobicContact CG2-CG2 4.03Å; T27-R123 PolarHBondContact O-NH2 3.46Å
28W91.1Very high88Confident14 Ų1473.1 Ų73.15%0.05337%0.37CS..Hα-helixtrans-70.7-34.4173.5-174.631.2000111.9M24 L25 Q26 F30 L31 V61 Q65 L69 I72M24-W28 WeakPolarHBondContact O-CB 3.42Å; M24-W28 PolarHBondContact O-N 2.99Å; L25-W28 HydrophobicContact CD2-CE3 4.02Å; L25-W28 HydrophobicContact CD2-CZ3 4.45Å; L25-W28 WeakPolarHBondContact O-CB 3.05Å; L25-W28 PolarHBondContact O-N 3.45Å; Q26-W28 PolarHBondContact O-N 3.28Å; W28-F30 HydrophobicContact CD2-CB 3.65Å; W28-F30 HydrophobicContact CE3-CB 3.92Å; W28-F30 HydrophobicContact CG-CB 4.18Å; W28-F30 HydrophobicContact CH2-CB 3.99Å; W28-F30 AromaticContact CH2-CD1 3.75Å; W28-F30 HydrophobicContact CH2-CD1 3.75Å; W28-F30 AromaticContact CH2-CG 3.96Å; W28-F30 HydrophobicContact CH2-CG 3.96Å; W28-F30 HydrophobicContact CZ2-CB 3.71Å; W28-F30 HydrophobicContact CZ2-CD1 4.07Å; W28-F30 AromaticContact CZ2-CG 3.81Å; W28-F30 HydrophobicContact CZ2-CG 3.81Å; W28-F30 HydrophobicContact CZ3-CB 4.08Å; W28-F30 HydrophobicContact CZ3-CD1 4.14Å; W28-F30 HydrophobicContact CZ3-CG 4.42Å; W28-F30 PolarHBondContact O-N 3.03Å; W28-F30 VanDerWaalsContact O-N 3.08Å; W28-L31 HydrophobicContact CZ3-CD1 4.38Å; W28-L31 HydrophobicContact CZ3-CG 4.19Å; W28-V61 HydrophobicContact CH2-CG1 4.31Å; W28-V61 HydrophobicContact CH2-CG2 4.46Å; W28-V61 HydrophobicContact CZ2-CG1 4.21Å; W28-Q65 HydrophobicContact CZ2-CB 4.31Å; W28-Q65 PolarHBondContact NE1-O 3.28Å; W28-Q65 VanDerWaalsContact NE1-O 3.09Å; W28-L69 HydrophobicContact CB-CD1 4.06Å; W28-L69 HydrophobicContact CD2-CB 4.1Å; W28-L69 HydrophobicContact CD2-CD1 4.08Å; W28-L69 HydrophobicContact CD2-CG 4.47Å; W28-L69 HydrophobicContact CE3-CD1 4.29Å; W28-L69 HydrophobicContact CE3-CD2 4.4Å; W28-L69 HydrophobicContact CG-CB 4.23Å; W28-L69 HydrophobicContact CG-CD1 4Å; W28-L69 HydrophobicContact CZ2-CB 4.49Å; W28-I72 VanDerWaalsContact CA-CD1 3.41Å; W28-I72 HydrophobicContact CB-CD1 3.68Å; W28-I72 HydrophobicContact CG-CD1 4.14Å
29G85.5Confident87.9Confident61 Ų6168.3 Ų68.363%0.62935%0.353SS*.  trans65.98.4172.300000114.9L25 Q26L25-G29 PolarHBondContact O-N 3.34Å; Q26-G29 PolarHBondContact O-N 3.31Å
30F87.1Confident87.8Confident60 Ų6064.9 Ų64.926%0.26333%0.334SS..  trans-83.6-40178-176.8-88.2000112W28 N59 V61 Q65W28-F30 HydrophobicContact CD2-CB 3.65Å; W28-F30 HydrophobicContact CE3-CB 3.92Å; W28-F30 HydrophobicContact CG-CB 4.18Å; W28-F30 HydrophobicContact CH2-CB 3.99Å; W28-F30 AromaticContact CH2-CD1 3.75Å; W28-F30 HydrophobicContact CH2-CD1 3.75Å; W28-F30 AromaticContact CH2-CG 3.96Å; W28-F30 HydrophobicContact CH2-CG 3.96Å; W28-F30 HydrophobicContact CZ2-CB 3.71Å; W28-F30 HydrophobicContact CZ2-CD1 4.07Å; W28-F30 AromaticContact CZ2-CG 3.81Å; W28-F30 HydrophobicContact CZ2-CG 3.81Å; W28-F30 HydrophobicContact CZ3-CB 4.08Å; W28-F30 HydrophobicContact CZ3-CD1 4.14Å; W28-F30 HydrophobicContact CZ3-CG 4.42Å; W28-F30 PolarHBondContact O-N 3.03Å; W28-F30 VanDerWaalsContact O-N 3.08Å; F30-N59 HydrophobicContact CE1-CB 3.71Å; F30-N59 HydrophobicContact CZ-CB 3.99Å; F30-V61 HydrophobicContact CD1-CG2 3.77Å; F30-V61 HydrophobicContact CE1-CB 4.31Å; F30-V61 HydrophobicContact CE1-CG2 3.03Å; F30-V61 HydrophobicContact CE2-CG2 4.2Å; F30-V61 HydrophobicContact CZ-CB 4.21Å; F30-V61 HydrophobicContact CZ-CG2 3.29Å; F30-Q65 HydrophobicContact CD2-CB 4.25Å; F30-Q65 HydrophobicContact CD2-CG 4.09Å; F30-Q65 HydrophobicContact CE2-CB 4.4Å; F30-Q65 HydrophobicContact CE2-CG 4.03Å
31L87.1Confident87.6Confident8 Ų863.4 Ų63.44%0.04233%0.327CS..SBendtrans-86.1134.1175.5-62.8176.2000109.6L25 W28 L36 V52 L55L25-L31 HydrophobicContact CD2-CD1 4.41Å; W28-L31 HydrophobicContact CZ3-CD1 4.38Å; W28-L31 HydrophobicContact CZ3-CG 4.19Å; L31-L36 HydrophobicContact CB-CD2 3.97Å; L31-L36 HydrophobicContact CB-CG 4.06Å; L31-L36 HydrophobicContact CD1-CD2 3.95Å; L31-V52 HydrophobicContact CD1-CG1 4.36Å; L31-L55 HydrophobicContact CD2-CB 4.22Å
32S85.2Confident87.2Confident53 Ų5371.2 Ų71.237%0.37136%0.363SS..  trans-66.7153.5176.264.70000111.5R34 Q35 L36S32-R34 PolarHBondContact O-N 2.98Å; S32-R34 VanDerWaalsContact O-N 3.17Å; S32-Q35 VanDerWaalsContact N-OE1 3.08Å; S32-Q35 PolarHBondContact O-N 3.15Å; S32-Q35 VanDerWaalsContact OG-CD 3.29Å; S32-Q35 VanDerWaalsContact OG-CG 3.3Å; S32-Q35 WeakPolarHBondContact OG-CG 3.21Å; S32-Q35 PolarHBondContact OG-N 2.99Å; S32-Q35 PolarHBondContact OG-OE1 3.18Å; S32-L36 WeakPolarHBondContact O-CG 3.45Å; S32-L36 PolarHBondContact O-N 3.05Å
33E85.9Confident87.2Confident145 Ų14569.7 Ų69.768%0.67836%0.357SS*.Hα-helixtrans-56.9-34176.8-67.8-173167.700112.6L36 Q37E33-L36 PolarHBondContact O-N 3.2Å; E33-Q37 VanDerWaalsContact O-CG 3.31Å; E33-Q37 WeakPolarHBondContact O-CG 3.47Å; E33-Q37 PolarHBondContact O-N 2.89Å
34R84.9Confident87.1Confident209 Ų20970.3 Ų70.379%0.78936%0.361SS*.Hα-helixtrans-63.7-46.7176.2-62.6-177.9-176.1177.21.1111.4S32 L36 Q37 T38S32-R34 PolarHBondContact O-N 2.98Å; S32-R34 VanDerWaalsContact O-N 3.17Å; R34-L36 VanDerWaalsContact C-N 3.3Å; R34-L36 PolarHBondContact O-N 3.36Å; R34-Q37 PolarHBondContact O-N 3.09Å; R34-T38 PolarHBondContact O-N 3.43Å; R34-T38 PolarHBondContact O-OG1 3.08Å
35Q85.8Confident87.1Confident43 Ų4373.6 Ų73.620%0.20138%0.376CS..Hα-helixtrans-64.3-35.6176.2-74.6164.7-37.700112S32 Q37 T38 L55 N59S32-Q35 VanDerWaalsContact N-OE1 3.08Å; S32-Q35 PolarHBondContact O-N 3.15Å; S32-Q35 VanDerWaalsContact OG-CD 3.29Å; S32-Q35 VanDerWaalsContact OG-CG 3.3Å; S32-Q35 WeakPolarHBondContact OG-CG 3.21Å; S32-Q35 PolarHBondContact OG-N 2.99Å; S32-Q35 PolarHBondContact OG-OE1 3.18Å; Q35-Q37 VanDerWaalsContact C-N 3.32Å; Q35-T38 PolarHBondContact O-N 3.08Å; Q35-T38 PolarHBondContact O-OG1 3.31Å; Q35-L55 HydrophobicContact CB-CD1 4.41Å; Q35-L55 HydrophobicContact CG-CD2 4.5Å; Q35-N59 PolarHBondContact NE2-ND2 3.36Å; Q35-N59 PolarHBondContact NE2-OD1 3.39Å; Q35-N59 VanDerWaalsContact NE2-OD1 3.11Å
36L86.8Confident87.1Confident7 Ų778.3 Ų78.34%0.03740%0.401CS..Hα-helixtrans-69.2-29.5175.3-67.5172.8000112.7L25 Q26 L31 S32 E33 R34 L39 F41L25-L36 HydrophobicContact CB-CD2 3.7Å; L25-L36 HydrophobicContact CD1-CD2 3.99Å; L25-L36 HydrophobicContact CG-CD2 4.48Å; Q26-L36 HydrophobicContact CG-CD1 3.78Å; L31-L36 HydrophobicContact CB-CD2 3.97Å; L31-L36 HydrophobicContact CB-CG 4.06Å; L31-L36 HydrophobicContact CD1-CD2 3.95Å; S32-L36 WeakPolarHBondContact O-CG 3.45Å; S32-L36 PolarHBondContact O-N 3.05Å; E33-L36 PolarHBondContact O-N 3.2Å; R34-L36 VanDerWaalsContact C-N 3.3Å; R34-L36 PolarHBondContact O-N 3.36Å; L36-L39 HydrophobicContact CD2-CD1 4.16Å; L36-F41 WeakPolarHBondContact O-CE2 3.49Å
37Q84.8Confident87.1Confident154 Ų15477.5 Ų77.572%0.7240%0.399SS*.Hα-helixtrans-73.3-28.7174.2-73.8173.67.100112.4E33 R34 Q35 L39E33-Q37 VanDerWaalsContact O-CG 3.31Å; E33-Q37 WeakPolarHBondContact O-CG 3.47Å; E33-Q37 PolarHBondContact O-N 2.89Å; R34-Q37 PolarHBondContact O-N 3.09Å; Q35-Q37 VanDerWaalsContact C-N 3.32Å; Q37-L39 PolarHBondContact O-N 2.89Å
38T87.4Confident87.1Confident113 Ų11374.3 Ų74.369%0.69338%0.38SS*.Hα-helixtrans-69.7-22.9175.6-20.90000112.8R34 Q35R34-T38 PolarHBondContact O-N 3.43Å; R34-T38 PolarHBondContact O-OG1 3.08Å; Q35-T38 PolarHBondContact O-N 3.08Å; Q35-T38 PolarHBondContact O-OG1 3.31Å
39L85.7Confident87.1Confident14 Ų1473.6 Ų73.67%0.07338%0.377CS..SBendtrans-74.6128.1-179.5-72.4173.5000111.9L25 L36 Q37 F41 D51 V52 L55L25-L39 HydrophobicContact CD1-CD1 4.36Å; L36-L39 HydrophobicContact CD2-CD1 4.16Å; Q37-L39 PolarHBondContact O-N 2.89Å; L39-F41 HydrophobicContact CB-CD2 4.49Å; L39-F41 HydrophobicContact CB-CE1 4.28Å; L39-F41 HydrophobicContact CB-CE2 3.88Å; L39-F41 HydrophobicContact CB-CZ 3.76Å; L39-F41 HydrophobicContact CD1-CE1 4.34Å; L39-F41 HydrophobicContact CD1-CZ 3.98Å; L39-F41 WeakPolarHBondContact O-CD2 3.25Å; L39-F41 PolarHBondContact O-N 3.37Å; L39-D51 HydrophobicContact CD2-CB 3.45Å; L39-D51 VanDerWaalsContact CD2-CB 3.45Å; L39-V52 HydrophobicContact CD1-CG2 3.68Å; L39-V52 HydrophobicContact CD2-CG2 4.3Å; L39-L55 HydrophobicContact CD1-CD1 4Å; L39-L55 HydrophobicContact CD2-CD1 3.61Å; L39-L55 HydrophobicContact CG-CD1 3.73Å
40N86.2Confident87.4Confident71 Ų7175.2 Ų75.238%0.3837%0.368SS..  trans-90.591.6175.5-174.8-6.1000111.6H42 Q43 V48N40-H42 PolarHBondContact O-N 3.32Å; N40-H42 VanDerWaalsContact O-N 3.16Å; N40-H42 WeakPolarHBondContact OD1-CA 3.47Å; N40-H42 VanDerWaalsContact OD1-CB 3.3Å; N40-H42 WeakPolarHBondContact OD1-CB 3.5Å; N40-H42 PolarHBondContact OD1-N 2.77Å; N40-Q43 HydrophobicContact CB-CG 4.05Å; N40-Q43 PolarHBondContact O-N 3.43Å; N40-V48 WeakPolarHBondContact O-CG2 3.47Å
41F84.9Confident87.6Confident42 Ų4274.6 Ų74.618%0.18437%0.368CS..THydrogen-bonded Turntrans-68.5-7.7177.3-58.4-77.2000114.5R18 I21 K22 L25 L36 L39 Q43 V48R18-F41 PolarHBondContact NE-O 2.99Å; R18-F41 PolarHBondContact NH2-O 3.02Å; I21-F41 HydrophobicContact CG2-CD1 4.3Å; I21-F41 HydrophobicContact CG2-CE1 4Å; K22-F41 HydrophobicContact CB-CE1 4.26Å; K22-F41 HydrophobicContact CB-CE2 4.36Å; K22-F41 HydrophobicContact CB-CZ 4.14Å; K22-F41 HydrophobicContact CD-CD2 4.42Å; K22-F41 HydrophobicContact CD-CE2 4.15Å; K22-F41 HydrophobicContact CG-CE2 4.11Å; K22-F41 HydrophobicContact CG-CZ 4.15Å; L25-F41 HydrophobicContact CD1-CE1 4.3Å; L36-F41 WeakPolarHBondContact O-CE2 3.49Å; L39-F41 HydrophobicContact CB-CD2 4.49Å; L39-F41 HydrophobicContact CB-CE1 4.28Å; L39-F41 HydrophobicContact CB-CE2 3.88Å; L39-F41 HydrophobicContact CB-CZ 3.76Å; L39-F41 HydrophobicContact CD1-CE1 4.34Å; L39-F41 HydrophobicContact CD1-CZ 3.98Å; L39-F41 WeakPolarHBondContact O-CD2 3.25Å; L39-F41 PolarHBondContact O-N 3.37Å; F41-Q43 VanDerWaalsContact C-N 3.29Å; F41-V48 HydrophobicContact CD1-CG1 4.03Å; F41-V48 HydrophobicContact CE1-CG1 4.27Å
42H82.6Confident87.7Confident166 Ų16674.2 Ų74.277%0.76937%0.366SS*.THydrogen-bonded Turntrans-79.1-10.6175.6-62.8-74.2000113.4R18 N40R18-H42 PolarHBondContact NH2-O 2.81Å; N40-H42 PolarHBondContact O-N 3.32Å; N40-H42 VanDerWaalsContact O-N 3.16Å; N40-H42 WeakPolarHBondContact OD1-CA 3.47Å; N40-H42 VanDerWaalsContact OD1-CB 3.3Å; N40-H42 WeakPolarHBondContact OD1-CB 3.5Å; N40-H42 PolarHBondContact OD1-N 2.77Å
43Q87.8Confident87.9Confident70 Ų7071.8 Ų71.833%0.32735%0.349SS..SBendtrans-76.8-178.3175.7-58.3-169.129.100113.3R18 N40 F41 N47 V48R18-Q43 PolarHBondContact NH2-O 3Å; N40-Q43 HydrophobicContact CB-CG 4.05Å; N40-Q43 PolarHBondContact O-N 3.43Å; F41-Q43 VanDerWaalsContact C-N 3.29Å; Q43-N47 HydrophobicContact CB-CB 4.2Å; Q43-N47 PolarHBondContact OE1-ND2 3.29Å; Q43-N47 VanDerWaalsContact OE1-ND2 3.11Å; Q43-V48 HydrophobicContact CB-CG2 4.4Å
44T88.4Confident88.1Confident83 Ų8370.1 Ų70.151%0.50934%0.341SS..  trans-62.7149.2171.360.40000110.5D46 N47 V48T44-D46 PolarHBondContact O-N 2.97Å; T44-N47 PolarHBondContact O-N 3.05Å; T44-N47 PolarHBondContact OG1-N 3.13Å; T44-N47 PolarHBondContact OG1-ND2 2.94Å; T44-N47 PolarHBondContact OG1-OD1 3.08Å; T44-V48 WeakPolarHBondContact O-CG2 3.32Å; T44-V48 PolarHBondContact O-N 2.71Å; T44-V48 VanDerWaalsContact O-N 3.07Å
45K91Very high88.3Confident69 Ų6961.6 Ų61.630%0.331%0.311SS..Hα-helixtrans-58.9-33.4178.4-78.2-17756176.20112.8L14 I16 R18 I21 S49L14-K45 HydrophobicContact CD2-CB 4.08Å; L14-K45 WeakPolarHBondContact O-CE 3.46Å; L14-K45 PolarHBondContact O-NZ 3.18Å; I16-K45 VanDerWaalsContact O-CE 3.31Å; I16-K45 WeakPolarHBondContact O-CE 3.43Å; I16-K45 PolarHBondContact O-NZ 2.97Å; R18-K45 HydrophobicContact CB-CD 4.28Å; R18-K45 HydrophobicContact CB-CG 4.4Å; R18-K45 HydrophobicContact CG-CG 4.5Å; I21-K45 HydrophobicContact CD1-CG 4.37Å; K45-S49 WeakPolarHBondContact O-CB 3.42Å; K45-S49 PolarHBondContact O-N 3.23Å; K45-S49 PolarHBondContact O-OG 2.9Å
46D90.8Very high88.4Confident98 Ų9859.6 Ų59.652%0.52430%0.301SS..Hα-helixtrans-63.7-48.2177.5-71.1-5.6000111L14 T44 V48 S49 Q50L14-D46 WeakPolarHBondContact CD2-OD1 3.46Å; T44-D46 PolarHBondContact O-N 2.97Å; D46-V48 PolarHBondContact O-N 3.04Å; D46-S49 PolarHBondContact O-N 3.27Å; D46-S49 PolarHBondContact O-OG 2.96Å; D46-Q50 PolarHBondContact O-N 2.53Å
47N90.1Very high88.4Confident76 Ų7663.2 Ų63.241%0.40632%0.318SS..Hα-helixtrans-61.6-47176.7-67.44.1000111.3Q43 T44 S49 Q50 D51Q43-N47 HydrophobicContact CB-CB 4.2Å; Q43-N47 PolarHBondContact OE1-ND2 3.29Å; Q43-N47 VanDerWaalsContact OE1-ND2 3.11Å; T44-N47 PolarHBondContact O-N 3.05Å; T44-N47 PolarHBondContact OG1-N 3.13Å; T44-N47 PolarHBondContact OG1-ND2 2.94Å; T44-N47 PolarHBondContact OG1-OD1 3.08Å; N47-S49 VanDerWaalsContact C-N 3.26Å; N47-S49 PolarHBondContact O-N 3.09Å; N47-Q50 WeakPolarHBondContact O-CB 3.49Å; N47-Q50 PolarHBondContact O-N 3.48Å; N47-D51 VanDerWaalsContact O-CG 3.27Å; N47-D51 PolarHBondContact O-N 2.92Å
48V90.8Very high88.4Confident4 Ų461.3 Ų61.32%0.02431%0.313CS..Hα-helixtrans-57.8-41.8176.5175.10000111.2I21 N40 F41 Q43 T44 D46 Q50 D51 V52I21-V48 HydrophobicContact CG2-CG1 4.28Å; N40-V48 WeakPolarHBondContact O-CG2 3.47Å; F41-V48 HydrophobicContact CD1-CG1 4.03Å; F41-V48 HydrophobicContact CE1-CG1 4.27Å; Q43-V48 HydrophobicContact CB-CG2 4.4Å; T44-V48 WeakPolarHBondContact O-CG2 3.32Å; T44-V48 PolarHBondContact O-N 2.71Å; T44-V48 VanDerWaalsContact O-N 3.07Å; D46-V48 PolarHBondContact O-N 3.04Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 3.47Å; V48-D51 PolarHBondContact O-N 3.18Å; V48-V52 HydrophobicContact CG1-CG2 4.47Å; V48-V52 WeakPolarHBondContact O-CB 3.47Å; V48-V52 WeakPolarHBondContact O-CG2 3.31Å; V48-V52 PolarHBondContact O-N 3.34Å
49S91.4Very high88.2Confident0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-67.9-32.4178.575.20000112.9R10 K45 D46 N47 A53R10-S49 WeakPolarHBondContact CG-OG 3.3Å; K45-S49 WeakPolarHBondContact O-CB 3.42Å; K45-S49 PolarHBondContact O-N 3.23Å; K45-S49 PolarHBondContact O-OG 2.9Å; D46-S49 PolarHBondContact O-N 3.27Å; D46-S49 PolarHBondContact O-OG 2.96Å; N47-S49 VanDerWaalsContact C-N 3.26Å; N47-S49 PolarHBondContact O-N 3.09Å; S49-A53 WeakPolarHBondContact O-CB 3.38Å; S49-A53 PolarHBondContact O-N 3.48Å; S49-A53 VanDerWaalsContact O-N 3.08Å
50Q91.4Very high88.1Confident94 Ų9462.5 Ų62.544%0.43932%0.322SS..Hα-helixtrans-70.9-46.5175.6-167.86727.400110.9R10 D46 N47 V48 V52 A53 Q54R10-Q50 VanDerWaalsContact CD-OE1 3.27Å; D46-Q50 PolarHBondContact O-N 2.53Å; N47-Q50 WeakPolarHBondContact O-CB 3.49Å; N47-Q50 PolarHBondContact O-N 3.48Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 3.47Å; Q50-V52 VanDerWaalsContact C-N 3.3Å; Q50-V52 PolarHBondContact O-N 2.76Å; Q50-A53 WeakPolarHBondContact O-CB 3.45Å; Q50-A53 PolarHBondContact O-N 2.97Å; Q50-A53 VanDerWaalsContact O-N 3.09Å; Q50-Q54 PolarHBondContact O-N 3.03Å
51D90.8Very high87.9Confident48 Ų4859.4 Ų59.426%0.25731%0.306SS..Hα-helixtrans-61.3-41.2177.7-63.2-15.5000110.9L39 N47 V48 Q54 L55L39-D51 HydrophobicContact CD2-CB 3.45Å; L39-D51 VanDerWaalsContact CD2-CB 3.45Å; N47-D51 VanDerWaalsContact O-CG 3.27Å; N47-D51 PolarHBondContact O-N 2.92Å; V48-D51 PolarHBondContact O-N 3.18Å; D51-Q54 PolarHBondContact O-N 3.21Å; D51-L55 WeakPolarHBondContact O-CG 3.44Å; D51-L55 PolarHBondContact O-N 2.98Å
52V90.1Very high88.1Confident0 Ų061.1 Ų61.10%032%0.317CS..Hα-helixtrans-63-41.9174.21710000111.1I9 V13 L25 L31 L39 V48 Q50 C56I9-V52 HydrophobicContact CG2-CG1 4.2Å; V13-V52 HydrophobicContact CG2-CG1 4.02Å; L25-V52 HydrophobicContact CD1-CG2 3.8Å; L25-V52 HydrophobicContact CD2-CG1 4.19Å; L31-V52 HydrophobicContact CD1-CG1 4.36Å; L39-V52 HydrophobicContact CD1-CG2 3.68Å; L39-V52 HydrophobicContact CD2-CG2 4.3Å; V48-V52 HydrophobicContact CG1-CG2 4.47Å; V48-V52 WeakPolarHBondContact O-CB 3.47Å; V48-V52 WeakPolarHBondContact O-CG2 3.31Å; V48-V52 PolarHBondContact O-N 3.34Å; Q50-V52 VanDerWaalsContact C-N 3.3Å; Q50-V52 PolarHBondContact O-N 2.76Å; V52-C56 VanDerWaalsContact O-CB 3.28Å; V52-C56 WeakPolarHBondContact O-CB 3.37Å; V52-C56 PolarHBondContact O-N 3.24Å; V52-C56 PolarHBondContact O-SG 3.22Å
53A89.6Confident88.3Confident2 Ų254.8 Ų54.82%0.01729%0.289CS..Hα-helixtrans-64.1-41.1176.900000111.5S49 Q50 C56 E57S49-A53 WeakPolarHBondContact O-CB 3.38Å; S49-A53 PolarHBondContact O-N 3.48Å; S49-A53 VanDerWaalsContact O-N 3.08Å; Q50-A53 WeakPolarHBondContact O-CB 3.45Å; Q50-A53 PolarHBondContact O-N 2.97Å; Q50-A53 VanDerWaalsContact O-N 3.09Å; A53-C56 CarbonylContact O-C 3.55Å; A53-C56 WeakPolarHBondContact O-CA 3.37Å; A53-C56 VanDerWaalsContact O-CB 3.29Å; A53-C56 WeakPolarHBondContact O-CB 3.43Å; A53-C56 PolarHBondContact O-N 2.93Å; A53-C56 VanDerWaalsContact O-N 3.14Å; A53-E57 WeakPolarHBondContact O-CG 3.47Å; A53-E57 PolarHBondContact O-N 3.31Å
54Q89.9Confident88.4Confident110 Ų11057.4 Ų57.451%0.51430%0.299SS..Hα-helixtrans-64.4-46.5177.1-172.1174.8-1.500112.1Q50 D51 C56 E57 D58Q50-Q54 PolarHBondContact O-N 3.03Å; D51-Q54 PolarHBondContact O-N 3.21Å; Q54-C56 PolarHBondContact O-N 3.33Å; Q54-E57 WeakPolarHBondContact O-CA 3.36Å; Q54-E57 WeakPolarHBondContact O-CB 3.43Å; Q54-E57 PolarHBondContact O-N 2.97Å; Q54-D58 PolarHBondContact O-N 3.49Å
55L88.7Confident88.4Confident30 Ų3057.2 Ų57.216%0.15729%0.292CS..Hα-helixtrans-59.8-33.8172.8-71.6175.1000111.9L31 Q35 L39 D51 N59L31-L55 HydrophobicContact CD2-CB 4.22Å; Q35-L55 HydrophobicContact CB-CD1 4.41Å; Q35-L55 HydrophobicContact CG-CD2 4.5Å; L39-L55 HydrophobicContact CD1-CD1 4Å; L39-L55 HydrophobicContact CD2-CD1 3.61Å; L39-L55 HydrophobicContact CG-CD1 3.73Å; D51-L55 WeakPolarHBondContact O-CG 3.44Å; D51-L55 PolarHBondContact O-N 2.98Å; L55-N59 PolarHBondContact O-N 2.91Å; L55-N59 PolarHBondContact O-ND2 3.4Å
56C87.3Confident88.4Confident0 Ų054 Ų540%028%0.279CS..Hα-helixtrans-69.8-33.4175.2-740000112.1M1 I9 V52 A53 Q54 S60 V61M1-C56 HydrophobicContact CE-CB 3.84Å; M1-C56 WeakPolarHBondContact CE-O 3.35Å; I9-C56 HydrophobicContact CD1-CB 3.94Å; V52-C56 VanDerWaalsContact O-CB 3.28Å; V52-C56 WeakPolarHBondContact O-CB 3.37Å; V52-C56 PolarHBondContact O-N 3.24Å; V52-C56 PolarHBondContact O-SG 3.22Å; A53-C56 CarbonylContact O-C 3.55Å; A53-C56 WeakPolarHBondContact O-CA 3.37Å; A53-C56 VanDerWaalsContact O-CB 3.29Å; A53-C56 WeakPolarHBondContact O-CB 3.43Å; A53-C56 PolarHBondContact O-N 2.93Å; A53-C56 VanDerWaalsContact O-N 3.14Å; Q54-C56 PolarHBondContact O-N 3.33Å; C56-S60 PolarHBondContact O-N 3.4Å; C56-S60 VanDerWaalsContact O-N 3.15Å; C56-V61 HydrophobicContact CB-CB 4.32Å; C56-V61 HydrophobicContact CB-CG2 3.59Å; C56-V61 WeakPolarHBondContact O-CG2 3.23Å; C56-V61 PolarHBondContact O-N 2.74Å; C56-V61 VanDerWaalsContact O-N 3.08Å
57E86.3Confident88.5Confident83 Ų8349.3 Ų49.339%0.38825%0.254SS..Hα-helixtrans-65.9-46.2173.6-72.8177.9-178.900111.8M1 A6 A53 Q54 N59 S60M1-E57 HydrophobicContact CB-CG 3.96Å; M1-E57 HydrophobicContact CE-CG 4.04Å; M1-E57 HydrophobicContact SD-CG 4.17Å; A6-E57 HydrophobicContact CB-CG 4.41Å; A6-E57 VanDerWaalsContact CB-OE1 3.25Å; A6-E57 WeakPolarHBondContact CB-OE1 3.47Å; A53-E57 WeakPolarHBondContact O-CG 3.47Å; A53-E57 PolarHBondContact O-N 3.31Å; Q54-E57 WeakPolarHBondContact O-CA 3.36Å; Q54-E57 WeakPolarHBondContact O-CB 3.43Å; Q54-E57 PolarHBondContact O-N 2.97Å; E57-N59 VanDerWaalsContact C-N 3.25Å; E57-N59 PolarHBondContact O-N 3.03Å; E57-S60 PolarHBondContact O-N 2.83Å
58D85.5Confident88.6Confident114 Ų11447 Ų4761%0.6124%0.242SC*.Hα-helixtrans-59.6-38.7177.4-63.6-22.8000111.6Q54 S60Q54-D58 PolarHBondContact O-N 3.49Å; D58-S60 VanDerWaalsContact C-N 3.31Å; D58-S60 PolarHBondContact O-N 3.07Å
59N83.9Confident88.6Confident59 Ų5946.8 Ų46.832%0.31624%0.241SC..THydrogen-bonded Turntrans-86.35.5177.7-65-55.1000113.9F30 Q35 L55 E57 V61F30-N59 HydrophobicContact CE1-CB 3.71Å; F30-N59 HydrophobicContact CZ-CB 3.99Å; Q35-N59 PolarHBondContact NE2-ND2 3.36Å; Q35-N59 PolarHBondContact NE2-OD1 3.39Å; Q35-N59 VanDerWaalsContact NE2-OD1 3.11Å; L55-N59 PolarHBondContact O-N 2.91Å; L55-N59 PolarHBondContact O-ND2 3.4Å; E57-N59 VanDerWaalsContact C-N 3.25Å; E57-N59 PolarHBondContact O-N 3.03Å; N59-V61 PolarHBondContact O-N 3.25Å
60S82.8Confident88.7Confident93 Ų9347.1 Ų47.165%0.6524%0.243SC*.THydrogen-bonded Turntrans53.350.4177.2-64.60000115C56 E57 D58 D62C56-S60 PolarHBondContact O-N 3.4Å; C56-S60 VanDerWaalsContact O-N 3.15Å; E57-S60 PolarHBondContact O-N 2.83Å; D58-S60 VanDerWaalsContact C-N 3.31Å; D58-S60 PolarHBondContact O-N 3.07Å; S60-D62 PolarHBondContact O-N 3Å
61V82.8Confident88.7Confident6 Ų642.7 Ų42.74%0.03622%0.222CC..  trans-62.9128.9-178.3-1760000112.6M1 I9 W28 F30 C56 N59 Q65M1-V61 HydrophobicContact CE-CB 3.57Å; M1-V61 HydrophobicContact CE-CG2 4.12Å; I9-V61 HydrophobicContact CD1-CB 4.27Å; I9-V61 HydrophobicContact CD1-CG1 3.96Å; W28-V61 HydrophobicContact CH2-CG1 4.31Å; W28-V61 HydrophobicContact CH2-CG2 4.46Å; W28-V61 HydrophobicContact CZ2-CG1 4.21Å; F30-V61 HydrophobicContact CD1-CG2 3.77Å; F30-V61 HydrophobicContact CE1-CB 4.31Å; F30-V61 HydrophobicContact CE1-CG2 3.03Å; F30-V61 HydrophobicContact CE2-CG2 4.2Å; F30-V61 HydrophobicContact CZ-CB 4.21Å; F30-V61 HydrophobicContact CZ-CG2 3.29Å; C56-V61 HydrophobicContact CB-CB 4.32Å; C56-V61 HydrophobicContact CB-CG2 3.59Å; C56-V61 WeakPolarHBondContact O-CG2 3.23Å; C56-V61 PolarHBondContact O-N 2.74Å; C56-V61 VanDerWaalsContact O-N 3.08Å; N59-V61 PolarHBondContact O-N 3.25Å; V61-Q65 HydrophobicContact CG1-CB 3.6Å
62D87.7Confident88.8Confident78 Ų7840.4 Ų40.442%0.41721%0.21SC..  trans-83.6156.9171.9-177.330.1000111.9S60 K64 Q65 A66S60-D62 PolarHBondContact O-N 3Å; D62-K64 PolarHBondContact O-N 3.35Å; D62-K64 VanDerWaalsContact O-N 3.08Å; D62-K64 WeakPolarHBondContact OD2-CD 3.38Å; D62-K64 WeakPolarHBondContact OD2-CG 3.4Å; D62-Q65 WeakPolarHBondContact O-CB 3.45Å; D62-Q65 PolarHBondContact O-N 3.5Å; D62-A66 PolarHBondContact O-N 3Å; D62-A66 VanDerWaalsContact O-N 3.13Å
63I88.6Confident88.9Confident34 Ų3441.2 Ų41.217%0.17421%0.213CC..Hα-helixtrans-56.8-29.2176.7-172.657.7000112.7V5 Y8 Q65 A66 A67 Q145V5-I63 HydrophobicContact CG2-CB 4.18Å; V5-I63 HydrophobicContact CG2-CD1 4.26Å; Y8-I63 HydrophobicContact CD1-CD1 4.25Å; I63-Q65 VanDerWaalsContact C-N 3.34Å; I63-A66 HydrophobicContact CD1-CB 4.45Å; I63-A67 VanDerWaalsContact O-CB 3.24Å; I63-A67 WeakPolarHBondContact O-CB 3.36Å; I63-A67 PolarHBondContact O-N 3.49Å; I63-Q145 HydrophobicContact CD1-CG 3.75Å; I63-Q145 HydrophobicContact CG1-CG 4.23Å
64K88.8Confident89Confident124 Ų12441.4 Ų41.454%0.53921%0.214SC..Hα-helixtrans-62.3-42.4174.8-67.9175-171.7160.60111.5D62 A67 V68D62-K64 PolarHBondContact O-N 3.35Å; D62-K64 VanDerWaalsContact O-N 3.08Å; D62-K64 WeakPolarHBondContact OD2-CD 3.38Å; D62-K64 WeakPolarHBondContact OD2-CG 3.4Å; K64-A67 PolarHBondContact O-N 3.43Å; K64-V68 WeakPolarHBondContact O-CG2 3.44Å; K64-V68 PolarHBondContact O-N 3.33Å; K64-V68 VanDerWaalsContact O-N 3.16Å
65Q89.4Confident89Confident80 Ų8039.4 Ų39.437%0.37420%0.204SC..Hα-helixtrans-71.1-42.1179.2-63.5-59.2-14.600111.3W28 F30 V61 D62 I63 A67 V68 L69W28-Q65 HydrophobicContact CZ2-CB 4.31Å; W28-Q65 PolarHBondContact NE1-O 3.28Å; W28-Q65 VanDerWaalsContact NE1-O 3.09Å; F30-Q65 HydrophobicContact CD2-CB 4.25Å; F30-Q65 HydrophobicContact CD2-CG 4.09Å; F30-Q65 HydrophobicContact CE2-CB 4.4Å; F30-Q65 HydrophobicContact CE2-CG 4.03Å; V61-Q65 HydrophobicContact CG1-CB 3.6Å; D62-Q65 WeakPolarHBondContact O-CB 3.45Å; D62-Q65 PolarHBondContact O-N 3.5Å; I63-Q65 VanDerWaalsContact C-N 3.34Å; Q65-A67 VanDerWaalsContact C-N 3.25Å; Q65-A67 PolarHBondContact O-N 3.02Å; Q65-V68 WeakPolarHBondContact O-CB 3.33Å; Q65-V68 PolarHBondContact O-N 2.94Å; Q65-L69 PolarHBondContact O-N 3.41Å
66A90.6Very high89Confident1 Ų141.2 Ų41.21%0.00821%0.213CC..Hα-helixtrans-60.9-35.8173.200000112.3V5 Y8 I9 D62 I63 V68 L69 D70V5-A66 HydrophobicContact CG1-CB 4.07Å; Y8-A66 HydrophobicContact CD1-CB 3.94Å; Y8-A66 HydrophobicContact CE1-CB 4.21Å; I9-A66 HydrophobicContact CD1-CB 4.05Å; I9-A66 HydrophobicContact CG1-CB 3.68Å; D62-A66 PolarHBondContact O-N 3Å; D62-A66 VanDerWaalsContact O-N 3.13Å; I63-A66 HydrophobicContact CD1-CB 4.45Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 3.25Å; A66-L69 WeakPolarHBondContact O-CB 3.34Å; A66-L69 PolarHBondContact O-N 3.26Å; A66-D70 PolarHBondContact O-N 3.45Å
67A91.4Very high89.1Confident0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-69.3-2617500000113.3I63 K64 Q65 D70 I71 N121I63-A67 VanDerWaalsContact O-CB 3.24Å; I63-A67 WeakPolarHBondContact O-CB 3.36Å; I63-A67 PolarHBondContact O-N 3.49Å; K64-A67 PolarHBondContact O-N 3.43Å; Q65-A67 VanDerWaalsContact C-N 3.25Å; Q65-A67 PolarHBondContact O-N 3.02Å; A67-D70 PolarHBondContact O-N 3.3Å; A67-I71 WeakPolarHBondContact O-CG1 3.28Å; A67-I71 PolarHBondContact O-N 3.03Å; A67-N121 HydrophobicContact CB-CB 4.31Å; A67-N121 WeakPolarHBondContact CB-ND2 3.01Å
68V92.2Very high89.1Confident27 Ų2739.7 Ų39.716%0.16421%0.206CC..Hα-helixtrans-66.5-42.3171.6174.60000110.4K64 Q65 A66 D70 I71 I72K64-V68 WeakPolarHBondContact O-CG2 3.44Å; K64-V68 PolarHBondContact O-N 3.33Å; K64-V68 VanDerWaalsContact O-N 3.16Å; Q65-V68 WeakPolarHBondContact O-CB 3.33Å; Q65-V68 PolarHBondContact O-N 2.94Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 3.25Å; V68-D70 VanDerWaalsContact C-N 3.31Å; V68-D70 PolarHBondContact O-N 3.31Å; V68-I71 WeakPolarHBondContact O-CB 3.5Å; V68-I71 PolarHBondContact O-N 3.02Å; V68-I71 VanDerWaalsContact O-N 3.1Å; V68-I72 HydrophobicContact CG1-CD1 4.46Å; V68-I72 WeakPolarHBondContact O-CG1 3.37Å; V68-I72 PolarHBondContact O-N 3.16Å
69L92.2Very high89.2Confident0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-58.3-42.9174.6-178.364.1000111.7I9 T12 V13 W28 Q65 A66 I71 I72 Y73I9-L69 HydrophobicContact CG2-CD2 4.45Å; T12-L69 HydrophobicContact CG2-CD2 4.13Å; T12-L69 HydrophobicContact CG2-CG 4.04Å; V13-L69 HydrophobicContact CG2-CD2 4.4Å; W28-L69 HydrophobicContact CB-CD1 4.06Å; W28-L69 HydrophobicContact CD2-CB 4.1Å; W28-L69 HydrophobicContact CD2-CD1 4.08Å; W28-L69 HydrophobicContact CD2-CG 4.47Å; W28-L69 HydrophobicContact CE3-CD1 4.29Å; W28-L69 HydrophobicContact CE3-CD2 4.4Å; W28-L69 HydrophobicContact CG-CB 4.23Å; W28-L69 HydrophobicContact CG-CD1 4Å; W28-L69 HydrophobicContact CZ2-CB 4.49Å; Q65-L69 PolarHBondContact O-N 3.41Å; A66-L69 WeakPolarHBondContact O-CB 3.34Å; A66-L69 PolarHBondContact O-N 3.26Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 3.47Å; L69-I72 PolarHBondContact O-N 3.46Å; L69-Y73 PolarHBondContact O-N 2.9Å
70D92.2Very high89.3Confident7 Ų741 Ų414%0.03721%0.208CC..Hα-helixtrans-63.7-37.2175.1-169.436.2000111.9Y8 A66 A67 V68 Y73 N74 R133 Y150Y8-D70 WeakPolarHBondContact OH-CB 3.09Å; Y8-D70 PolarHBondContact OH-OD2 3.34Å; A66-D70 PolarHBondContact O-N 3.45Å; A67-D70 PolarHBondContact O-N 3.3Å; V68-D70 VanDerWaalsContact C-N 3.31Å; V68-D70 PolarHBondContact O-N 3.31Å; D70-Y73 PolarHBondContact O-N 2.76Å; D70-N74 PolarHBondContact O-N 3.19Å; D70-N74 PolarHBondContact O-ND2 3.1Å; D70-N74 PolarHBondContact OD1-ND2 3.1Å; D70-R133 IonicContact OD2-CZ 3.55Å; D70-R133 IonicContact OD2-NE 2.74Å; D70-R133 PolarHBondContact OD2-NE 3.04Å; D70-R133 IonicContact OD2-NH2 3.76Å; D70-Y150 PolarHBondContact OD1-OH 2.82Å; D70-Y150 PolarHBondContact OD2-OH 3.4Å
71I93.1Very high89.6Confident0 Ų039.2 Ų39.20%019%0.187CC..Hα-helixtrans-61.9-44.8173.7-67.5163.7000111.1A67 V68 L69 N74 H75 N121 R123 W131 R133 Y150A67-I71 WeakPolarHBondContact O-CG1 3.28Å; A67-I71 PolarHBondContact O-N 3.03Å; V68-I71 WeakPolarHBondContact O-CB 3.5Å; V68-I71 PolarHBondContact O-N 3.02Å; V68-I71 VanDerWaalsContact O-N 3.1Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 3.47Å; I71-N74 PolarHBondContact O-N 3.05Å; I71-H75 WeakPolarHBondContact O-CB 3.37Å; I71-H75 PolarHBondContact O-N 3.36Å; I71-N121 HydrophobicContact CD1-CB 3.92Å; I71-R123 HydrophobicContact CD1-CB 4.37Å; I71-R123 HydrophobicContact CG2-CB 3.85Å; I71-W131 HydrophobicContact CG2-CB 3.88Å; I71-W131 HydrophobicContact CG2-CG 4.48Å; I71-R133 HydrophobicContact CD1-CB 3.8Å; I71-R133 HydrophobicContact CG1-CB 3.61Å; I71-R133 HydrophobicContact CG1-CG 4.39Å; I71-Y150 HydrophobicContact CG1-CE1 4.12Å
72I92.1Very high89.9Confident1 Ų142.8 Ų42.81%0.00521%0.205CC..Hα-helixtrans-59.7-49178.1-60.2165.3000110.1M24 T27 W28 V68 L69 N74 H75 I76 R123M24-I72 HydrophobicContact SD-CG2 3.97Å; T27-I72 HydrophobicContact CG2-CD1 4.49Å; T27-I72 HydrophobicContact CG2-CG2 4.03Å; W28-I72 VanDerWaalsContact CA-CD1 3.41Å; W28-I72 HydrophobicContact CB-CD1 3.68Å; W28-I72 HydrophobicContact CG-CD1 4.14Å; V68-I72 HydrophobicContact CG1-CD1 4.46Å; V68-I72 WeakPolarHBondContact O-CG1 3.37Å; V68-I72 PolarHBondContact O-N 3.16Å; L69-I72 PolarHBondContact O-N 3.46Å; I72-N74 VanDerWaalsContact C-N 3.3Å; I72-N74 PolarHBondContact O-N 3.07Å; I72-H75 WeakPolarHBondContact O-CA 3.24Å; I72-H75 WeakPolarHBondContact O-CB 3.31Å; I72-H75 PolarHBondContact O-N 3.33Å; I72-I76 HydrophobicContact CG2-CD1 4.08Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 PolarHBondContact O-N 3.36Å; I72-R123 VanDerWaalsContact CG1-CZ 3.42Å
73Y92.1Very high90.2Very high17 Ų1739 Ų397%0.06719%0.185CC..Hα-helixtrans-56.7-44.4178.9170.6-95.4000111.9K15 I16 M24 L69 D70 H75 I76 Y77 K80K15-Y73 HydrophobicContact CB-CE2 3.85Å; K15-Y73 HydrophobicContact CD-CE1 4.48Å; I16-Y73 HydrophobicContact CG1-CD2 4.2Å; M24-Y73 HydrophobicContact CE-CD2 3.75Å; M24-Y73 HydrophobicContact CE-CG 4.48Å; L69-Y73 PolarHBondContact O-N 2.9Å; D70-Y73 PolarHBondContact O-N 2.76Å; Y73-H75 VanDerWaalsContact C-N 3.32Å; Y73-H75 PolarHBondContact O-N 2.76Å; Y73-I76 PolarHBondContact O-N 2.8Å; Y73-Y77 AromaticContact CD2-CD2 3.62Å; Y73-Y77 HydrophobicContact CD2-CD2 3.62Å; Y73-Y77 AromaticContact CD2-CE2 3.81Å; Y73-Y77 HydrophobicContact CD2-CE2 3.81Å; Y73-Y77 AromaticContact CE2-CD2 3.48Å; Y73-Y77 HydrophobicContact CE2-CD2 3.48Å; Y73-Y77 VanDerWaalsContact CE2-CD2 3.48Å; Y73-Y77 AromaticContact CE2-CE2 3.75Å; Y73-Y77 HydrophobicContact CE2-CE2 3.75Å; Y73-Y77 HydrophobicContact CG-CD2 4.34Å; Y73-Y77 WeakPolarHBondContact O-CD2 3.4Å; Y73-Y77 PolarHBondContact O-N 2.78Å; Y73-K80 VanDerWaalsContact OH-CD 3.23Å; Y73-K80 WeakPolarHBondContact OH-CD 3.23Å; Y73-K80 PolarHBondContact OH-NZ 2.75Å
74N91.1Very high90.4Very high6 Ų638.1 Ų38.13%0.03218%0.181CC..Hα-helixtrans-74.6-22.1178.1-71.2-89.8000113D70 I71 I72 Y77 P78 R81 W131 Y150D70-N74 PolarHBondContact O-N 3.19Å; D70-N74 PolarHBondContact O-ND2 3.1Å; D70-N74 PolarHBondContact OD1-ND2 3.1Å; I71-N74 PolarHBondContact O-N 3.05Å; I72-N74 VanDerWaalsContact C-N 3.3Å; I72-N74 PolarHBondContact O-N 3.07Å; N74-Y77 CarbonylContact O-C 3.58Å; N74-P78 WeakPolarHBondContact O-CA 3.13Å; N74-R81 WeakPolarHBondContact OD1-CD 3.41Å; N74-R81 PolarHBondContact OD1-NE 2.53Å; N74-W131 HydrophobicContact CB-CZ3 4.45Å; N74-Y150 HydrophobicContact CB-CE1 4.09Å; N74-Y150 HydrophobicContact CB-CE2 4.43Å; N74-Y150 PolarHBondContact ND2-OH 2.83Å
75H90.3Very high90.7Very high67 Ų6732.2 Ų32.231%0.3116%0.156SC..Hα-helixtrans-73.5-39.5172.9179.580.6000112.2I71 I72 Y73 P78 Y125 W131I71-H75 WeakPolarHBondContact O-CB 3.37Å; I71-H75 PolarHBondContact O-N 3.36Å; I72-H75 WeakPolarHBondContact O-CA 3.24Å; I72-H75 WeakPolarHBondContact O-CB 3.31Å; I72-H75 PolarHBondContact O-N 3.33Å; Y73-H75 VanDerWaalsContact C-N 3.32Å; Y73-H75 PolarHBondContact O-N 2.76Å; H75-P78 WeakPolarHBondContact O-CD 3.41Å; H75-Y125 HydrophobicContact CB-CE2 4.41Å; H75-Y125 VanDerWaalsContact CB-OH 3.29Å; H75-Y125 WeakPolarHBondContact CB-OH 3.12Å; H75-Y125 AromaticContact CD2-CE1 3.46Å; H75-Y125 VanDerWaalsContact CD2-CE1 3.46Å; H75-Y125 WeakPolarHBondContact CD2-CE1 3.5Å; H75-Y125 AromaticContact CD2-CZ 3.66Å; H75-Y125 AromaticContact CE1-CD1 3.61Å; H75-Y125 AromaticContact CE1-CE1 3.63Å; H75-Y125 AromaticContact CE1-CG 3.84Å; H75-Y125 AromaticContact CE1-CZ 3.83Å; H75-Y125 AromaticContact CG-CE1 3.71Å; H75-Y125 AromaticContact CG-CE2 3.96Å; H75-Y125 AromaticContact CG-CZ 3.4Å; H75-Y125 AromaticContact ND1-CE1 3.81Å; H75-Y125 AromaticContact ND1-CE2 3.65Å; H75-Y125 AromaticContact ND1-CZ 3.52Å; H75-Y125 AromaticContact NE2-CD1 3.61Å; H75-Y125 AromaticContact NE2-CE1 3.41Å; H75-Y125 WeakPolarHBondContact NE2-CE1 3.44Å; H75-Y125 AromaticContact NE2-CZ 3.93Å; H75-W131 HydrophobicContact CB-CH2 4.28Å; H75-W131 HydrophobicContact CB-CZ2 4.24Å; H75-W131 HydrophobicContact CB-CZ3 4.44Å; H75-W131 AromaticContact CE1-NE1 3.99Å; H75-W131 AromaticContact ND1-CE2 3.31Å; H75-W131 VanDerWaalsContact ND1-CE2 3.31Å; H75-W131 AromaticContact ND1-CZ2 3.33Å; H75-W131 VanDerWaalsContact ND1-CZ2 3.33Å; H75-W131 WeakPolarHBondContact ND1-CZ2 3.46Å; H75-W131 AromaticContact ND1-NE1 3.36Å; H75-W131 PolarHBondContact ND1-NE1 2.9Å
76I89.6Confident90.8Very high68 Ų6829 Ų2935%0.34914%0.14SC..Hα-helixtrans-75.3-36.7176.8-62.8-173.9000111.4M24 I72 Y73 P78M24-I76 HydrophobicContact CG-CD1 3.75Å; M24-I76 HydrophobicContact SD-CD1 3.62Å; M24-I76 HydrophobicContact SD-CG1 4.44Å; I72-I76 HydrophobicContact CG2-CD1 4.08Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 PolarHBondContact O-N 3.36Å; Y73-I76 PolarHBondContact O-N 2.8Å; I76-P78 WeakPolarHBondContact O-CD 3.33Å
77Y89Confident90.9Very high36 Ų3631.7 Ų31.714%0.14115%0.153CC..  trans-114.260.9177.8-51.3-70.1000113.2P17 E20 M24 Y73 N74 N79 K80P17-Y77 WeakPolarHBondContact CD-OH 3.29Å; P17-Y77 HydrophobicContact CG-CE1 4.49Å; P17-Y77 VanDerWaalsContact CG-OH 3.28Å; P17-Y77 WeakPolarHBondContact CG-OH 3.41Å; E20-Y77 PolarHBondContact OE1-OH 3.2Å; E20-Y77 PolarHBondContact OE2-OH 3.43Å; M24-Y77 HydrophobicContact CE-CE2 4.26Å; Y73-Y77 AromaticContact CD2-CD2 3.62Å; Y73-Y77 HydrophobicContact CD2-CD2 3.62Å; Y73-Y77 AromaticContact CD2-CE2 3.81Å; Y73-Y77 HydrophobicContact CD2-CE2 3.81Å; Y73-Y77 AromaticContact CE2-CD2 3.48Å; Y73-Y77 HydrophobicContact CE2-CD2 3.48Å; Y73-Y77 VanDerWaalsContact CE2-CD2 3.48Å; Y73-Y77 AromaticContact CE2-CE2 3.75Å; Y73-Y77 HydrophobicContact CE2-CE2 3.75Å; Y73-Y77 HydrophobicContact CG-CD2 4.34Å; Y73-Y77 WeakPolarHBondContact O-CD2 3.4Å; Y73-Y77 PolarHBondContact O-N 2.78Å; N74-Y77 CarbonylContact O-C 3.58Å; Y77-N79 PolarHBondContact O-N 3.31Å; Y77-K80 PolarHBondContact O-N 2.88Å
78P86.3Confident90.9Very high16 Ų1631.9 Ų31.910%0.10415%0.154CC..G310 helixtrans-64.3-28.1-177.227.8-33.5000111.7N74 H75 I76 K80 R81 W83 L197N74-P78 WeakPolarHBondContact O-CA 3.13Å; H75-P78 WeakPolarHBondContact O-CD 3.41Å; I76-P78 WeakPolarHBondContact O-CD 3.33Å; P78-K80 PolarHBondContact O-N 3.03Å; P78-R81 PolarHBondContact O-N 2.98Å; P78-W83 PolarHBondContact O-NE1 2.83Å; P78-L197 HydrophobicContact CB-CB 4.1Å; P78-L197 HydrophobicContact CB-CD2 4.49Å
79N86.3Confident90.6Very high87 Ų8732.9 Ų32.947%0.46516%0.158SC..G310 helixtrans-67.7-14.7-177.6-56.6-23.2000114Y77 R81 H195 C196Y77-N79 PolarHBondContact O-N 3.31Å; N79-R81 PolarHBondContact O-N 3.26Å; N79-H195 WeakPolarHBondContact CA-O 3.15Å; N79-H195 PolarHBondContact O-ND1 2.8Å; N79-C196 WeakPolarHBondContact OD1-CA 3.34Å
80K86.3Confident90.2Very high114 Ų11436.4 Ų36.450%0.49617%0.174SC..G310 helixtrans-71-12.8176.1-69.7-172.8-178.3-177.40112.8Y73 Y77 P78Y73-K80 VanDerWaalsContact OH-CD 3.23Å; Y73-K80 WeakPolarHBondContact OH-CD 3.23Å; Y73-K80 PolarHBondContact OH-NZ 2.75Å; Y77-K80 PolarHBondContact O-N 2.88Å; P78-K80 PolarHBondContact O-N 3.03Å
81R88.8Confident88.9Confident54 Ų5441.6 Ų41.620%0.20421%0.206CC..SBendtrans-118.6149.8-179.2-72.5-175.9176.4-101-1.7111N74 P78 N79 W83 T148 Y150 H195N74-R81 WeakPolarHBondContact OD1-CD 3.41Å; N74-R81 PolarHBondContact OD1-NE 2.53Å; P78-R81 PolarHBondContact O-N 2.98Å; N79-R81 PolarHBondContact O-N 3.26Å; R81-W83 VanDerWaalsContact O-CD1 3.29Å; R81-T148 PolarHBondContact NH1-O 3.13Å; R81-T148 VanDerWaalsContact NH1-O 3.07Å; R81-T148 PolarHBondContact NH2-OG1 3.25Å; R81-Y150 VanDerWaalsContact CZ-CD2 3.47Å; R81-Y150 VanDerWaalsContact CZ-CE2 3.46Å; R81-H195 WeakPolarHBondContact O-CA 3.41Å
82I90.5Very high87.3Confident81 Ų8143.9 Ų43.942%0.41523%0.229SC..  trans-83.2130.3165.7-60.7169.7000107.8S163 R193 H195I82-S163 WeakPolarHBondContact O-CB 3.38Å; I82-S163 PolarHBondContact O-OG 2.87Å; I82-R193 HydrophobicContact CG2-CB 4.1Å; I82-H195 WeakPolarHBondContact CG1-NE2 3.33Å
83W93.8Very high85.7Confident0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-108.7134.9176.1-62.491000109.2P78 R81 W131 V152 F161 R193 S194 L197 L200P78-W83 PolarHBondContact O-NE1 2.83Å; R81-W83 VanDerWaalsContact O-CD1 3.29Å; W83-W131 HydrophobicContact CH2-CE3 4.44Å; W83-W131 AromaticContact CH2-CH2 3.96Å; W83-W131 HydrophobicContact CH2-CH2 3.96Å; W83-W131 AromaticContact CH2-CZ3 3.65Å; W83-W131 HydrophobicContact CH2-CZ3 3.65Å; W83-W131 AromaticContact CZ2-CH2 3.97Å; W83-W131 HydrophobicContact CZ2-CH2 3.97Å; W83-W131 AromaticContact CZ2-CZ3 3.96Å; W83-W131 HydrophobicContact CZ2-CZ3 3.96Å; W83-V152 HydrophobicContact CH2-CG2 3.78Å; W83-V152 HydrophobicContact CZ3-CG2 3.71Å; W83-F161 HydrophobicContact CE3-CB 4.16Å; W83-R193 CarbonylContact O-C 3.6Å; W83-R193 WeakPolarHBondContact O-CA 3.4Å; W83-S194 PolarHBondContact N-O 3Å; W83-S194 PolarHBondContact O-N 3.42Å; W83-L197 HydrophobicContact CB-CD1 4.43Å; W83-L197 HydrophobicContact CD2-CD1 3.98Å; W83-L197 HydrophobicContact CE3-CD1 4.18Å; W83-L197 HydrophobicContact CG-CB 4.39Å; W83-L197 HydrophobicContact CG-CD1 4.09Å; W83-L197 HydrophobicContact CZ2-CD2 4.33Å; W83-L200 HydrophobicContact CB-CD1 3.56Å
84S93Very high83.9Confident14 Ų1459.9 Ų59.910%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-108.8138.4170.9-64.30000109.5I162 L192 R193S84-I162 PolarHBondContact N-O 3.31Å; S84-I162 PolarHBondContact O-N 3.35Å; S84-L192 WeakPolarHBondContact CA-O 3.15Å; S84-R193 WeakPolarHBondContact OG-CD 3.25Å; S84-R193 WeakPolarHBondContact OG-CG 3.15Å; S84-R193 PolarHBondContact OG-NE 2.99Å
85V93.8Very high82.2Confident0 Ų068.1 Ų68.10%035%0.345CS..EExtended strand (participates in β ladder)trans-92135.2178.3-173.60000110.6F161 M190 L192 L200 V204V85-F161 HydrophobicContact CG1-CE1 4.21Å; V85-F161 HydrophobicContact CG2-CD1 3.8Å; V85-F161 HydrophobicContact CG2-CE1 3.78Å; V85-M190 HydrophobicContact CB-CB 4.19Å; V85-M190 HydrophobicContact CG1-CB 4.22Å; V85-M190 HydrophobicContact CG1-CG 4.21Å; V85-M190 HydrophobicContact CG1-SD 3.71Å; V85-M190 PolarHBondContact O-N 3.39Å; V85-L192 HydrophobicContact CB-CB 4.27Å; V85-L192 HydrophobicContact CB-CD2 4.46Å; V85-L192 HydrophobicContact CG2-CB 4.17Å; V85-L192 HydrophobicContact CG2-CD2 3.84Å; V85-L192 HydrophobicContact CG2-CG 4.05Å; V85-L192 PolarHBondContact N-O 3.49Å; V85-L200 HydrophobicContact CG2-CB 4.19Å; V85-L200 HydrophobicContact CG2-CD1 4.09Å; V85-L200 HydrophobicContact CG2-CD2 4.03Å; V85-L200 HydrophobicContact CG2-CG 4.35Å; V85-V204 HydrophobicContact CB-CG2 4.48Å; V85-V204 HydrophobicContact CG1-CG1 4.49Å; V85-V204 HydrophobicContact CG1-CG2 3.69Å; V85-V204 HydrophobicContact CG2-CG2 4.15Å
86Y92.7Very high80.9Confident12 Ų1267.9 Ų67.95%0.04735%0.346CS..EExtended strand (participates in β ladder)trans-122.6143.8172.4-66.3-98.7000109.7Y159 V160 I162 L171 I187 R188 E189Y86-Y159 WeakPolarHBondContact O-CA 3.45Å; Y86-V160 PolarHBondContact N-O 3.48Å; Y86-V160 PolarHBondContact O-N 3.29Å; Y86-I162 HydrophobicContact CD2-CB 3.98Å; Y86-I162 HydrophobicContact CD2-CD1 3.61Å; Y86-I162 HydrophobicContact CD2-CG1 3.7Å; Y86-I162 HydrophobicContact CE2-CB 3.78Å; Y86-I162 HydrophobicContact CE2-CD1 3.8Å; Y86-I162 HydrophobicContact CE2-CG1 3.97Å; Y86-I162 HydrophobicContact CG-CD1 4.1Å; Y86-L171 WeakPolarHBondContact OH-CD2 3.45Å; Y86-I187 HydrophobicContact CD1-CD1 4.29Å; Y86-I187 HydrophobicContact CD1-CG1 4.11Å; Y86-I187 HydrophobicContact CG-CD1 4.3Å; Y86-I187 HydrophobicContact CG-CG1 4.4Å; Y86-R188 CarbonylContact C-O 3.6Å; Y86-R188 VanDerWaalsContact CA-O 3.29Å; Y86-R188 WeakPolarHBondContact CA-O 3.4Å; Y86-E189 HydrophobicContact CD1-CB 3.86Å; Y86-E189 HydrophobicContact CD1-CG 4.27Å; Y86-E189 HydrophobicContact CE1-CB 3.47Å; Y86-E189 VanDerWaalsContact CE1-CB 3.47Å; Y86-E189 HydrophobicContact CE1-CG 3.71Å; Y86-E189 HydrophobicContact CE2-CG 4.33Å; Y86-E189 VanDerWaalsContact OH-CD 3.26Å; Y86-E189 PolarHBondContact OH-OE2 2.61Å; Y86-E189 VanDerWaalsContact OH-OE2 3.04Å
87Q92.3Very high79.8Confident59 Ų5974.5 Ų74.528%0.27637%0.372SS..EExtended strand (participates in β ladder)trans-114.5129.3174-177.5177.919.900109Y159 I187 R188 M190Q87-Y159 HydrophobicContact CB-CD1 4.01Å; Q87-Y159 HydrophobicContact CB-CE1 3.98Å; Q87-Y159 HydrophobicContact CG-CD1 4.07Å; Q87-Y159 HydrophobicContact CG-CE1 3.71Å; Q87-I187 CarbonylContact O-C 3.54Å; Q87-I187 WeakPolarHBondContact O-CA 3.19Å; Q87-R188 PolarHBondContact N-O 3.02Å; Q87-R188 PolarHBondContact O-N 2.6Å; Q87-M190 HydrophobicContact CB-CG 3.84Å; Q87-M190 HydrophobicContact CB-SD 3.83Å
88M90.6Very high79.3Confident3 Ų376.1 Ų76.12%0.01538%0.38CS..EExtended strand (participates in β ladder)trans-97.6139173.9-57.8-174.5-64.400110Y153 P158 V160 Y184 D186 I187M88-Y153 HydrophobicContact CE-CD2 4.01Å; M88-Y153 HydrophobicContact CE-CE2 3.31Å; M88-P158 PolarHBondContact N-O 3.39Å; M88-P158 VanDerWaalsContact O-CB 3.27Å; M88-P158 WeakPolarHBondContact O-CB 3.49Å; M88-V160 HydrophobicContact CE-CG2 3.47Å; M88-V160 VanDerWaalsContact CE-CG2 3.47Å; M88-V160 HydrophobicContact CG-CG2 4.16Å; M88-V160 HydrophobicContact SD-CG2 3.72Å; M88-Y184 HydrophobicContact CB-CD1 3.33Å; M88-Y184 HydrophobicContact CB-CD2 4.23Å; M88-Y184 HydrophobicContact CB-CE1 3.81Å; M88-Y184 HydrophobicContact CB-CG 3.58Å; M88-Y184 HydrophobicContact CE-CD2 3.87Å; M88-Y184 HydrophobicContact CE-CE2 3.74Å; M88-Y184 HydrophobicContact CE-CG 4.35Å; M88-Y184 HydrophobicContact CG-CG 4.48Å; M88-Y184 HydrophobicContact SD-CD2 4.15Å; M88-Y184 HydrophobicContact SD-CG 4.28Å; M88-D186 CarbonylContact C-O 3.47Å; M88-D186 VanDerWaalsContact CA-O 3.25Å; M88-D186 WeakPolarHBondContact CA-O 3.31Å; M88-I187 HydrophobicContact CG-CB 4.17Å; M88-I187 HydrophobicContact CG-CD1 3.97Å; M88-I187 HydrophobicContact CG-CG1 3.99Å; M88-I187 HydrophobicContact SD-CD1 4.43Å
89N86.8Confident79.3Confident49 Ų4979.1 Ų79.126%0.26240%0.396SS..EExtended strand (participates in β ladder)trans-112.8131-180-61.4-34000109.9H185 D186N89-H185 PolarHBondContact O-N 3.4Å; N89-H185 VanDerWaalsContact O-N 3.08Å; N89-D186 HydrophobicContact CB-CB 4.47Å; N89-D186 PolarHBondContact N-O 3.45Å; N89-D186 PolarHBondContact O-N 3.47Å
90K82.8Confident79.3Confident74 Ų7476.5 Ų76.532%0.32238%0.382SS..  trans-96146.9166.2-62.5-162.5175.6-167.50108.7D96 Y184K90-D96 IonicContact NZ-OD2 2.68Å; K90-D96 PolarHBondContact NZ-OD2 3.41Å; K90-Y184 HydrophobicContact CB-CD1 4.37Å; K90-Y184 HydrophobicContact CD-CD1 4.24Å; K90-Y184 HydrophobicContact CD-CE1 4.01Å; K90-Y184 HydrophobicContact CG-CD1 3.26Å; K90-Y184 HydrophobicContact CG-CE1 3.36Å; K90-Y184 HydrophobicContact CG-CG 3.92Å
91T66.9Low79.4Confident116 Ų11674.8 Ų74.871%0.71238%0.38SS*.SBendtrans-100.914.9-178.9-28.40000111.5H185T91-H185 WeakPolarHBondContact OG1-CB 3.25Å; T91-H185 PolarHBondContact OG1-CD2 3.35Å
92G59.3Low79.5Confident48 Ų4874.8 Ų74.850%0.49539%0.385SS..SBendtrans-161.3161.9179.500000112.7E94G92-E94 VanDerWaalsContact C-N 3.26Å; G92-E94 PolarHBondContact O-N 2.81Å
93E57.1Low79.6Confident200 Ų20071 Ų7194%0.93537%0.365SS*.  trans-8828179.8-63.7-172.5163.300113.1M95E93-M95 PolarHBondContact O-N 3.08Å
94E54.4Low79.5Confident153 Ų15373.2 Ų73.272%0.71538%0.375SS*.  trans-74.2117.2177.1-68.7-172.517400109.6G92 D96G92-E94 VanDerWaalsContact C-N 3.26Å; G92-E94 PolarHBondContact O-N 2.81Å; E94-D96 PolarHBondContact O-N 3.08Å
95M54.8Low79.5Confident179 Ų17978 Ų7888%0.88239%0.394SS*.  trans-67.878.4167.2-79.3-167.9-70.600108.9E93 F97E93-M95 PolarHBondContact O-N 3.08Å; M95-F97 PolarHBondContact O-N 3.42Å
96D63Low79.4Confident62 Ų6281 Ų8133%0.33241%0.407SS..  trans-63.3120.1170.6-70.6-44.8000109.3K90 E94 F98K90-D96 IonicContact NZ-OD2 2.68Å; K90-D96 PolarHBondContact NZ-OD2 3.41Å; E94-D96 PolarHBondContact O-N 3.08Å; D96-F98 PolarHBondContact O-N 2.94Å; D96-F98 VanDerWaalsContact O-N 3.12Å
97F67.6Low79.4Confident207 Ų20780.5 Ų80.591%0.90841%0.405SS*.  trans-63.3113.4164.8-73.5-84.1000108.8M95 D99M95-F97 PolarHBondContact O-N 3.42Å; F97-D99 PolarHBondContact O-N 3.36Å
98F79.2Confident79.5Confident70 Ų7081.3 Ų81.331%0.30741%0.408SS..  trans-79.8100.6177.6-176.7-94.8000110.2D96 L100 F103 I130 Y153 S155D96-F98 PolarHBondContact O-N 2.94Å; D96-F98 VanDerWaalsContact O-N 3.12Å; F98-L100 HydrophobicContact CE1-CB 4.21Å; F98-L100 HydrophobicContact CE1-CD1 4.08Å; F98-L100 HydrophobicContact CZ-CD1 4.43Å; F98-F103 HydrophobicContact CE1-CB 4.5Å; F98-F103 HydrophobicContact CE2-CB 3.85Å; F98-F103 AromaticContact CE2-CD2 3.63Å; F98-F103 HydrophobicContact CE2-CD2 3.63Å; F98-F103 HydrophobicContact CE2-CE2 4.4Å; F98-F103 AromaticContact CE2-CG 3.82Å; F98-F103 HydrophobicContact CE2-CG 3.82Å; F98-F103 HydrophobicContact CZ-CB 3.65Å; F98-F103 HydrophobicContact CZ-CD1 4.08Å; F98-F103 AromaticContact CZ-CD2 3.82Å; F98-F103 HydrophobicContact CZ-CD2 3.82Å; F98-F103 AromaticContact CZ-CG 3.57Å; F98-F103 HydrophobicContact CZ-CG 3.57Å; F98-I130 HydrophobicContact CE1-CD1 4Å; F98-I130 HydrophobicContact CZ-CD1 4.03Å; F98-Y153 AromaticContact CE2-CE1 3.7Å; F98-Y153 HydrophobicContact CE2-CE1 3.7Å; F98-Y153 HydrophobicContact CZ-CD1 4.37Å; F98-Y153 AromaticContact CZ-CE1 3.7Å; F98-Y153 HydrophobicContact CZ-CE1 3.7Å; F98-S155 VanDerWaalsContact CD1-CB 3.42Å
99D85.1Confident79.5Confident79 Ų7989.2 Ų89.242%0.42244%0.437SS..  trans-87116.1166.8177.110.8000110.3F97 T101 D102 F103F97-D99 PolarHBondContact O-N 3.36Å; D99-T101 VanDerWaalsContact C-N 3.29Å; D99-T101 PolarHBondContact O-N 2.97Å; D99-T101 PolarHBondContact OD1-N 3.11Å; D99-T101 PolarHBondContact OD1-OG1 3.12Å; D99-T101 PolarHBondContact OD2-OG1 3.42Å; D99-D102 HydrophobicContact CB-CB 4Å; D99-D102 PolarHBondContact O-N 2.9Å; D99-D102 WeakPolarHBondContact OD2-CB 3.5Å; D99-D102 PolarHBondContact OD2-N 2.96Å; D99-F103 WeakPolarHBondContact O-CB 3.1Å; D99-F103 PolarHBondContact O-N 3.28Å
100L86.4Confident79.8Confident33 Ų3393.5 Ų93.517%0.17345%0.45CS..Hα-helixtrans-63.5-34.9178.3-179.557.2000112.9F98 F103 K104 E124 I130F98-L100 HydrophobicContact CE1-CB 4.21Å; F98-L100 HydrophobicContact CE1-CD1 4.08Å; F98-L100 HydrophobicContact CZ-CD1 4.43Å; L100-F103 HydrophobicContact CD1-CD1 4.34Å; L100-K104 HydrophobicContact CD1-CD 4.45Å; L100-K104 HydrophobicContact CD1-CG 4.29Å; L100-K104 HydrophobicContact CG-CD 4.35Å; L100-K104 WeakPolarHBondContact O-CB 3.3Å; L100-K104 VanDerWaalsContact O-CG 3.27Å; L100-K104 WeakPolarHBondContact O-CG 3.41Å; L100-K104 PolarHBondContact O-N 3.46Å; L100-E124 HydrophobicContact CD2-CG 3.72Å; L100-E124 WeakPolarHBondContact CD2-OE1 3.33Å; L100-E124 VanDerWaalsContact CD2-OE2 3.31Å; L100-E124 WeakPolarHBondContact CD2-OE2 3.44Å; L100-I130 HydrophobicContact CD1-CD1 3.31Å; L100-I130 HydrophobicContact CD1-CG1 3.73Å; L100-I130 HydrophobicContact CD1-CG2 4.5Å
101T89.4Confident80.1Confident77 Ų7790 Ų9047%0.47243%0.434SS..Hα-helixtrans-71.8-41.2-177.971.80000111D99 K105D99-T101 VanDerWaalsContact C-N 3.29Å; D99-T101 PolarHBondContact O-N 2.97Å; D99-T101 PolarHBondContact OD1-N 3.11Å; D99-T101 PolarHBondContact OD1-OG1 3.12Å; D99-T101 PolarHBondContact OD2-OG1 3.42Å; T101-K105 VanDerWaalsContact O-CG 3.3Å; T101-K105 WeakPolarHBondContact O-CG 3.34Å; T101-K105 PolarHBondContact O-N 3Å; T101-K105 VanDerWaalsContact O-N 3.12Å
102D90.9Very high81.2Confident55 Ų5589.4 Ų89.429%0.29442%0.424SS..Hα-helixtrans-64.2-46.4171.8-177.551.1000111.5D99 K104 K105 K106D99-D102 HydrophobicContact CB-CB 4Å; D99-D102 PolarHBondContact O-N 2.9Å; D99-D102 WeakPolarHBondContact OD2-CB 3.5Å; D99-D102 PolarHBondContact OD2-N 2.96Å; D102-K104 PolarHBondContact O-N 3.12Å; D102-K105 PolarHBondContact O-N 3.34Å; D102-K105 VanDerWaalsContact O-N 3.1Å; D102-K106 WeakPolarHBondContact O-CB 3.25Å; D102-K106 WeakPolarHBondContact O-CG 3.34Å; D102-K106 PolarHBondContact O-N 2.81Å; D102-K106 WeakPolarHBondContact OD1-CE 3.2Å; D102-K106 IonicContact OD1-NZ 2.92Å; D102-K106 VanDerWaalsContact OD2-CD 3.3Å; D102-K106 WeakPolarHBondContact OD2-CD 3.41Å; D102-K106 WeakPolarHBondContact OD2-CE 3.15Å; D102-K106 IonicContact OD2-NZ 3.74Å; D102-K106 PolarHBondContact OD2-NZ 3.41Å
103F91.1Very high82.6Confident1 Ų191.5 Ų91.50%0.00443%0.431CS..Hα-helixtrans-52.3-51.9174.5172.6-94.5000111.6F98 D99 L100 K105 K106 F107 I132 Y153 L178 A181F98-F103 HydrophobicContact CE1-CB 4.5Å; F98-F103 HydrophobicContact CE2-CB 3.85Å; F98-F103 AromaticContact CE2-CD2 3.63Å; F98-F103 HydrophobicContact CE2-CD2 3.63Å; F98-F103 HydrophobicContact CE2-CE2 4.4Å; F98-F103 AromaticContact CE2-CG 3.82Å; F98-F103 HydrophobicContact CE2-CG 3.82Å; F98-F103 HydrophobicContact CZ-CB 3.65Å; F98-F103 HydrophobicContact CZ-CD1 4.08Å; F98-F103 AromaticContact CZ-CD2 3.82Å; F98-F103 HydrophobicContact CZ-CD2 3.82Å; F98-F103 AromaticContact CZ-CG 3.57Å; F98-F103 HydrophobicContact CZ-CG 3.57Å; D99-F103 WeakPolarHBondContact O-CB 3.1Å; D99-F103 PolarHBondContact O-N 3.28Å; L100-F103 HydrophobicContact CD1-CD1 4.34Å; F103-K105 VanDerWaalsContact C-N 3.3Å; F103-K105 PolarHBondContact O-N 3.1Å; F103-K106 PolarHBondContact O-N 3.33Å; F103-F107 HydrophobicContact CZ-CD2 4.43Å; F103-F107 WeakPolarHBondContact O-CB 3.27Å; F103-F107 PolarHBondContact O-N 2.79Å; F103-I132 HydrophobicContact CE1-CD1 4.06Å; F103-I132 HydrophobicContact CZ-CD1 4.18Å; F103-Y153 HydrophobicContact CE2-CD1 4.34Å; F103-Y153 HydrophobicContact CE2-CE1 4.28Å; F103-Y153 HydrophobicContact CZ-CD1 4.08Å; F103-Y153 HydrophobicContact CZ-CE1 4.48Å; F103-L178 HydrophobicContact CZ-CD2 4.37Å; F103-A181 HydrophobicContact CD2-CB 3.63Å; F103-A181 WeakPolarHBondContact CD2-O 3.48Å; F103-A181 HydrophobicContact CE2-CB 3.57Å; F103-A181 HydrophobicContact CG-CB 4.46Å; F103-A181 HydrophobicContact CZ-CB 4.37Å
104K92.3Very high84Confident47 Ų4784.6 Ų84.620%0.20441%0.408CS..Hα-helixtrans-59.9-39.7179.4-74.2174.2-178.71770112.2L100 D102 K108 F122 E124L100-K104 HydrophobicContact CD1-CD 4.45Å; L100-K104 HydrophobicContact CD1-CG 4.29Å; L100-K104 HydrophobicContact CG-CD 4.35Å; L100-K104 WeakPolarHBondContact O-CB 3.3Å; L100-K104 VanDerWaalsContact O-CG 3.27Å; L100-K104 WeakPolarHBondContact O-CG 3.41Å; L100-K104 PolarHBondContact O-N 3.46Å; D102-K104 PolarHBondContact O-N 3.12Å; K104-K108 WeakPolarHBondContact O-CB 3.49Å; K104-K108 WeakPolarHBondContact O-CG 3.45Å; K104-K108 PolarHBondContact O-N 2.98Å; K104-F122 HydrophobicContact CB-CD2 4.23Å; K104-F122 HydrophobicContact CB-CE2 3.8Å; K104-F122 HydrophobicContact CB-CZ 4.06Å; K104-F122 HydrophobicContact CD-CB 4.36Å; K104-F122 HydrophobicContact CD-CD2 4.05Å; K104-F122 HydrophobicContact CD-CE2 4.45Å; K104-F122 HydrophobicContact CD-CG 4.16Å; K104-F122 HydrophobicContact CG-CD1 4.09Å; K104-F122 HydrophobicContact CG-CD2 3.83Å; K104-F122 HydrophobicContact CG-CE1 4.12Å; K104-F122 HydrophobicContact CG-CE2 3.8Å; K104-F122 HydrophobicContact CG-CG 3.96Å; K104-F122 HydrophobicContact CG-CZ 3.96Å; K104-E124 IonicContact NZ-OE1 3.46Å; K104-E124 PolarHBondContact NZ-OE1 2.84Å
105K92.5Very high85.4Confident115 Ų11578.9 Ų78.950%0.538%0.382SS..Hα-helixtrans-68.2-51.3178.4-74.9170.5-177.11700111.1T101 D102 F103 F107 K108 R109T101-K105 VanDerWaalsContact O-CG 3.3Å; T101-K105 WeakPolarHBondContact O-CG 3.34Å; T101-K105 PolarHBondContact O-N 3Å; T101-K105 VanDerWaalsContact O-N 3.12Å; D102-K105 PolarHBondContact O-N 3.34Å; D102-K105 VanDerWaalsContact O-N 3.1Å; F103-K105 VanDerWaalsContact C-N 3.3Å; F103-K105 PolarHBondContact O-N 3.1Å; K105-F107 VanDerWaalsContact C-N 3.34Å; K105-F107 PolarHBondContact O-N 2.8Å; K105-K108 PolarHBondContact O-N 3.06Å; K105-R109 WeakPolarHBondContact O-CB 3.42Å; K105-R109 VanDerWaalsContact O-CG 3.28Å; K105-R109 WeakPolarHBondContact O-CG 3.41Å; K105-R109 PolarHBondContact O-N 2.94Å
106K92.6Very high86.7Confident63 Ų6379.5 Ų79.527%0.27438%0.38SS..Hα-helixtrans-57.2-47.5177-75.5176.3173166.40111.2D102 F103 R109 R110 A181D102-K106 WeakPolarHBondContact O-CB 3.25Å; D102-K106 WeakPolarHBondContact O-CG 3.34Å; D102-K106 PolarHBondContact O-N 2.81Å; D102-K106 WeakPolarHBondContact OD1-CE 3.2Å; D102-K106 IonicContact OD1-NZ 2.92Å; D102-K106 VanDerWaalsContact OD2-CD 3.3Å; D102-K106 WeakPolarHBondContact OD2-CD 3.41Å; D102-K106 WeakPolarHBondContact OD2-CE 3.15Å; D102-K106 IonicContact OD2-NZ 3.74Å; D102-K106 PolarHBondContact OD2-NZ 3.41Å; F103-K106 PolarHBondContact O-N 3.33Å; K106-R109 PolarHBondContact O-N 3.22Å; K106-R110 WeakPolarHBondContact O-CG 3.35Å; K106-R110 PolarHBondContact O-N 2.88Å; K106-A181 HydrophobicContact CB-CB 4.19Å
107F93.3Very high87.9Confident0 Ų079 Ų790%038%0.377CS..Hα-helixtrans-60.1-50.1179.1-172.6-95.8000112.4F103 K105 R110 L111 I120 F122 I132 I134 L174 A177 L178 A181F103-F107 HydrophobicContact CZ-CD2 4.43Å; F103-F107 WeakPolarHBondContact O-CB 3.27Å; F103-F107 PolarHBondContact O-N 2.79Å; K105-F107 VanDerWaalsContact C-N 3.34Å; K105-F107 PolarHBondContact O-N 2.8Å; F107-R110 PolarHBondContact O-N 3.01Å; F107-L111 HydrophobicContact CD1-CD1 4.02Å; F107-L111 HydrophobicContact CE1-CD1 3.33Å; F107-L111 HydrophobicContact CE1-CG 4.42Å; F107-L111 HydrophobicContact CE2-CD1 4.24Å; F107-L111 HydrophobicContact CZ-CD1 3.47Å; F107-L111 VanDerWaalsContact CZ-CD1 3.47Å; F107-L111 HydrophobicContact CZ-CG 4.43Å; F107-L111 PolarHBondContact O-N 2.89Å; F107-I120 HydrophobicContact CD1-CG2 4.16Å; F107-I120 HydrophobicContact CE1-CD1 4.49Å; F107-I120 HydrophobicContact CE1-CG2 4Å; F107-F122 HydrophobicContact CB-CZ 4.39Å; F107-F122 AromaticContact CD1-CE1 4Å; F107-F122 HydrophobicContact CD1-CE1 4Å; F107-F122 AromaticContact CD1-CZ 3.68Å; F107-F122 HydrophobicContact CD1-CZ 3.68Å; F107-F122 HydrophobicContact CE1-CE1 4.45Å; F107-F122 HydrophobicContact CE1-CZ 4.42Å; F107-F122 HydrophobicContact CG-CZ 4.37Å; F107-I132 HydrophobicContact CE1-CD1 4.5Å; F107-I132 HydrophobicContact CE1-CG2 3.78Å; F107-I132 HydrophobicContact CZ-CD1 4.38Å; F107-I132 HydrophobicContact CZ-CG2 4.28Å; F107-I134 HydrophobicContact CE1-CD1 4.07Å; F107-I134 HydrophobicContact CZ-CD1 3.81Å; F107-L174 HydrophobicContact CE2-CD1 4.15Å; F107-L174 HydrophobicContact CZ-CD1 3.71Å; F107-A177 HydrophobicContact CD2-CB 4.1Å; F107-A177 HydrophobicContact CE2-CB 3.89Å; F107-L178 HydrophobicContact CD2-CD2 4.2Å; F107-L178 HydrophobicContact CE2-CD2 3.59Å; F107-L178 HydrophobicContact CE2-CG 3.82Å; F107-L178 HydrophobicContact CZ-CD2 4.35Å; F107-A181 HydrophobicContact CB-CB 3.78Å; F107-A181 HydrophobicContact CD2-CB 4.08Å; F107-A181 HydrophobicContact CG-CB 4.46Å
108K92.7Very high88.9Confident77 Ų7769.9 Ų69.934%0.33534%0.338SS..Hα-helixtrans-59.7-48.2177.2-83.9174.8164.5168.10111.8K104 K105 R110 L111 Q112 I120 F122K104-K108 WeakPolarHBondContact O-CB 3.49Å; K104-K108 WeakPolarHBondContact O-CG 3.45Å; K104-K108 PolarHBondContact O-N 2.98Å; K105-K108 PolarHBondContact O-N 3.06Å; K108-R110 VanDerWaalsContact C-N 3.35Å; K108-R110 PolarHBondContact O-N 2.89Å; K108-L111 PolarHBondContact O-N 3.24Å; K108-Q112 VanDerWaalsContact O-CB 3.28Å; K108-Q112 WeakPolarHBondContact O-CB 3.42Å; K108-Q112 VanDerWaalsContact O-CG 3.24Å; K108-Q112 WeakPolarHBondContact O-CG 3.24Å; K108-Q112 PolarHBondContact O-N 2.89Å; K108-I120 HydrophobicContact CB-CD1 4.48Å; K108-I120 HydrophobicContact CG-CB 4.29Å; K108-I120 HydrophobicContact CG-CD1 4.03Å; K108-I120 HydrophobicContact CG-CG2 4.23Å; K108-F122 HydrophobicContact CD-CE2 3.79Å; K108-F122 VanDerWaalsContact CE-CE2 3.42Å; K108-F122 HydrophobicContact CG-CE2 3.83Å; K108-F122 HydrophobicContact CG-CZ 4.21Å
109R92.2Very high89.5Confident168 Ų16867.6 Ų67.663%0.63433%0.33SS*.Hα-helixtrans-58.1-45.5-179.7-75.2176.2-174166.51.5111.7K105 K106 Q112 S113K105-R109 WeakPolarHBondContact O-CB 3.42Å; K105-R109 VanDerWaalsContact O-CG 3.28Å; K105-R109 WeakPolarHBondContact O-CG 3.41Å; K105-R109 PolarHBondContact O-N 2.94Å; K106-R109 PolarHBondContact O-N 3.22Å; R109-Q112 PolarHBondContact O-N 2.92Å; R109-S113 WeakPolarHBondContact O-CB 3.36Å; R109-S113 PolarHBondContact O-N 2.88Å; R109-S113 PolarHBondContact O-OG 3.2Å
110R91.3Very high89.8Confident139 Ų13964.4 Ų64.453%0.52531%0.313SS..Hα-helixtrans-63.8-46-179.3-72-62.1-176.1-178.44.5112.6K106 F107 K108 S113 A114 A177 V180K106-R110 WeakPolarHBondContact O-CG 3.35Å; K106-R110 PolarHBondContact O-N 2.88Å; F107-R110 PolarHBondContact O-N 3.01Å; K108-R110 VanDerWaalsContact C-N 3.35Å; K108-R110 PolarHBondContact O-N 2.89Å; R110-S113 PolarHBondContact O-N 3.09Å; R110-S113 PolarHBondContact O-OG 2.98Å; R110-A114 PolarHBondContact O-N 3.28Å; R110-A177 HydrophobicContact CB-CB 4.26Å; R110-V180 HydrophobicContact CG-CG1 4.03Å
111L89.9Confident90.2Very high0 Ų063.5 Ų63.50%031%0.308CS..Hα-helixtrans-68.3-40.3178.1-73.3179.9000112.5F107 K108 S113 A114 L115 I120 I134 W136 L173 A177F107-L111 HydrophobicContact CD1-CD1 4.02Å; F107-L111 HydrophobicContact CE1-CD1 3.33Å; F107-L111 HydrophobicContact CE1-CG 4.42Å; F107-L111 HydrophobicContact CE2-CD1 4.24Å; F107-L111 HydrophobicContact CZ-CD1 3.47Å; F107-L111 VanDerWaalsContact CZ-CD1 3.47Å; F107-L111 HydrophobicContact CZ-CG 4.43Å; F107-L111 PolarHBondContact O-N 2.89Å; K108-L111 PolarHBondContact O-N 3.24Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 3.2Å; L111-A114 PolarHBondContact O-N 2.98Å; L111-L115 PolarHBondContact O-N 3.07Å; L111-I120 HydrophobicContact CB-CD1 3.76Å; L111-I120 HydrophobicContact CD1-CD1 3.63Å; L111-I120 HydrophobicContact CD1-CG1 4.16Å; L111-I120 HydrophobicContact CG-CD1 4.32Å; L111-I134 HydrophobicContact CD1-CD1 4.13Å; L111-W136 HydrophobicContact CD2-CH2 4.11Å; L111-W136 HydrophobicContact CD2-CZ3 4.16Å; L111-L173 HydrophobicContact CD2-CD2 4.26Å; L111-L173 HydrophobicContact CD2-CG 3.92Å; L111-A177 HydrophobicContact CD1-CB 4.47Å; L111-A177 HydrophobicContact CD2-CB 3.67Å; L111-A177 HydrophobicContact CG-CB 3.73Å
112Q89.8Confident90.4Very high104 Ų10461.2 Ų61.249%0.48629%0.292SS..Hα-helixtrans-69.3-30.2178.3-71.4174.6-30.500112.6K108 R109 A114 L115K108-Q112 VanDerWaalsContact O-CB 3.28Å; K108-Q112 WeakPolarHBondContact O-CB 3.42Å; K108-Q112 VanDerWaalsContact O-CG 3.24Å; K108-Q112 WeakPolarHBondContact O-CG 3.24Å; K108-Q112 PolarHBondContact O-N 2.89Å; R109-Q112 PolarHBondContact O-N 2.92Å; Q112-A114 VanDerWaalsContact C-N 3.31Å; Q112-L115 WeakPolarHBondContact CA-O 3.39Å; Q112-L115 CarbonylContact O-C 3.52Å
113S88.3Confident90.4Very high93 Ų9361.2 Ų61.265%0.6529%0.288SS*.Hα-helixtrans-67.4-31.7173.463.20000112.9R109 R110 L111R109-S113 WeakPolarHBondContact O-CB 3.36Å; R109-S113 PolarHBondContact O-N 2.88Å; R109-S113 PolarHBondContact O-OG 3.2Å; R110-S113 PolarHBondContact O-N 3.09Å; R110-S113 PolarHBondContact O-OG 2.98Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 3.2Å
114A86.4Confident90.5Very high55 Ų5566.1 Ų66.146%0.45531%0.311SS..Hα-helixtrans-87.1-34.4178.900000112.6R110 L111 Q112 L173R110-A114 PolarHBondContact O-N 3.28Å; L111-A114 PolarHBondContact O-N 2.98Å; Q112-A114 VanDerWaalsContact C-N 3.31Å; A114-L173 HydrophobicContact CB-CD1 3.5Å; A114-L173 HydrophobicContact CB-CD2 3.75Å; A114-L173 HydrophobicContact CB-CG 4.25Å
115L84.9Confident90.2Very high32 Ų3266.2 Ų66.217%0.16831%0.31CS..  trans-134.2116.8-177.2-66.4172.6000110.9L111 Q112 N117 V118 W136 L173L111-L115 PolarHBondContact O-N 3.07Å; Q112-L115 WeakPolarHBondContact CA-O 3.39Å; Q112-L115 CarbonylContact O-C 3.52Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 3.4Å; L115-V118 HydrophobicContact CB-CG2 3.77Å; L115-V118 HydrophobicContact CD1-CG2 3.83Å; L115-V118 HydrophobicContact CG-CG2 4.48Å; L115-W136 HydrophobicContact CD1-CE3 3.67Å; L115-W136 HydrophobicContact CD1-CZ3 3.83Å; L115-L173 HydrophobicContact CD1-CD2 3.66Å; L115-L173 HydrophobicContact CG-CD2 3.93Å
116K81.9Confident89.4Confident192 Ų19270.2 Ų70.284%0.83533%0.331SS*.SBendtrans-60.8-39.4176.8-71.7-175.6176.4-178.50112.9
117N87.9Confident88.6Confident51 Ų5172.5 Ų72.527%0.27335%0.346SS..SBendtrans-105.480.6-173.7-67.1-29000111.4L115 G137 T138 P139 K141L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 3.4Å; N117-G137 WeakPolarHBondContact O-CA 3.21Å; N117-G137 PolarHBondContact O-N 2.82Å; N117-T138 PolarHBondContact ND2-O 3.49Å; N117-P139 PolarHBondContact ND2-O 2.92Å; N117-K141 PolarHBondContact ND2-O 3.5Å
118V89.6Confident88Confident16 Ų1676.5 Ų76.510%0.09737%0.368CS..EExtended strand (participates in β ladder)trans-138.1134.9177.8148.20000110.4L115 I120 I134 W136L115-V118 HydrophobicContact CB-CG2 3.77Å; L115-V118 HydrophobicContact CD1-CG2 3.83Å; L115-V118 HydrophobicContact CG-CG2 4.48Å; V118-I120 HydrophobicContact CG1-CD1 3.65Å; V118-I120 HydrophobicContact CG1-CG1 3.47Å; V118-I120 VanDerWaalsContact CG1-CG1 3.47Å; V118-I134 HydrophobicContact CG1-CG2 4.36Å; V118-W136 HydrophobicContact CG2-CE3 3.83Å; V118-W136 HydrophobicContact CG2-CZ3 4.26Å
119T90.3Very high87.8Confident22 Ų2273 Ų7314%0.13535%0.352CS..EExtended strand (participates in β ladder)trans-107.2119.6172.2-44.50000109.5I134 A135 P143 Q145T119-I134 WeakPolarHBondContact O-CA 3.3Å; T119-A135 PolarHBondContact N-O 3.39Å; T119-A135 VanDerWaalsContact N-O 3.09Å; T119-A135 PolarHBondContact O-N 2.86Å; T119-P143 WeakPolarHBondContact OG1-CG 3.38Å; T119-Q145 PolarHBondContact OG1-NE2 2.96Å; T119-Q145 VanDerWaalsContact OG1-NE2 3.08Å
120I93.2Very high87.8Confident12 Ų1265.1 Ų65.16%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-119.3122.8179.4-58157.8000108.8F107 K108 L111 V118 F122 I132 R133 I134F107-I120 HydrophobicContact CD1-CG2 4.16Å; F107-I120 HydrophobicContact CE1-CD1 4.49Å; F107-I120 HydrophobicContact CE1-CG2 4Å; K108-I120 HydrophobicContact CB-CD1 4.48Å; K108-I120 HydrophobicContact CG-CB 4.29Å; K108-I120 HydrophobicContact CG-CD1 4.03Å; K108-I120 HydrophobicContact CG-CG2 4.23Å; L111-I120 HydrophobicContact CB-CD1 3.76Å; L111-I120 HydrophobicContact CD1-CD1 3.63Å; L111-I120 HydrophobicContact CD1-CG1 4.16Å; L111-I120 HydrophobicContact CG-CD1 4.32Å; V118-I120 HydrophobicContact CG1-CD1 3.65Å; V118-I120 HydrophobicContact CG1-CG1 3.47Å; V118-I120 VanDerWaalsContact CG1-CG1 3.47Å; I120-F122 HydrophobicContact CG2-CD2 4.43Å; I120-F122 HydrophobicContact CG2-CE1 4.17Å; I120-F122 HydrophobicContact CG2-CE2 3.83Å; I120-F122 HydrophobicContact CG2-CZ 3.67Å; I120-I132 HydrophobicContact CG2-CG2 3.96Å; I120-R133 WeakPolarHBondContact CA-O 3.39Å; I120-I134 HydrophobicContact CG1-CG2 4.45Å
121N93.8Very high87.9Confident14 Ų1458.8 Ų58.88%0.07530%0.299CS..EExtended strand (participates in β ladder)trans-123.8145.5174.5-68-67.6000110.4A67 I71 I132 R133A67-N121 HydrophobicContact CB-CB 4.31Å; A67-N121 WeakPolarHBondContact CB-ND2 3.01Å; I71-N121 HydrophobicContact CD1-CB 3.92Å; N121-I132 WeakPolarHBondContact O-CA 3.45Å; N121-R133 PolarHBondContact N-O 2.9Å; N121-R133 PolarHBondContact O-N 3.26Å
122F93.4Very high88.2Confident30 Ų3058.8 Ų58.813%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-121.9141.7-178.7-60.5-78.3000109.2K104 F107 K108 I120 I130 W131 I132K104-F122 HydrophobicContact CB-CD2 4.23Å; K104-F122 HydrophobicContact CB-CE2 3.8Å; K104-F122 HydrophobicContact CB-CZ 4.06Å; K104-F122 HydrophobicContact CD-CB 4.36Å; K104-F122 HydrophobicContact CD-CD2 4.05Å; K104-F122 HydrophobicContact CD-CE2 4.45Å; K104-F122 HydrophobicContact CD-CG 4.16Å; K104-F122 HydrophobicContact CG-CD1 4.09Å; K104-F122 HydrophobicContact CG-CD2 3.83Å; K104-F122 HydrophobicContact CG-CE1 4.12Å; K104-F122 HydrophobicContact CG-CE2 3.8Å; K104-F122 HydrophobicContact CG-CG 3.96Å; K104-F122 HydrophobicContact CG-CZ 3.96Å; F107-F122 HydrophobicContact CB-CZ 4.39Å; F107-F122 AromaticContact CD1-CE1 4Å; F107-F122 HydrophobicContact CD1-CE1 4Å; F107-F122 AromaticContact CD1-CZ 3.68Å; F107-F122 HydrophobicContact CD1-CZ 3.68Å; F107-F122 HydrophobicContact CE1-CE1 4.45Å; F107-F122 HydrophobicContact CE1-CZ 4.42Å; F107-F122 HydrophobicContact CG-CZ 4.37Å; K108-F122 HydrophobicContact CD-CE2 3.79Å; K108-F122 VanDerWaalsContact CE-CE2 3.42Å; K108-F122 HydrophobicContact CG-CE2 3.83Å; K108-F122 HydrophobicContact CG-CZ 4.21Å; I120-F122 HydrophobicContact CG2-CD2 4.43Å; I120-F122 HydrophobicContact CG2-CE1 4.17Å; I120-F122 HydrophobicContact CG2-CE2 3.83Å; I120-F122 HydrophobicContact CG2-CZ 3.67Å; F122-I130 HydrophobicContact CD1-CG2 4.18Å; F122-W131 CarbonylContact C-O 3.59Å; F122-W131 VanDerWaalsContact CA-O 3.31Å; F122-W131 WeakPolarHBondContact CA-O 3.34Å; F122-I132 HydrophobicContact CD1-CB 4.22Å; F122-I132 HydrophobicContact CD1-CD1 4.37Å; F122-I132 HydrophobicContact CD1-CG1 3.81Å; F122-I132 HydrophobicContact CD1-CG2 3.85Å; F122-I132 HydrophobicContact CE1-CB 4.28Å; F122-I132 HydrophobicContact CE1-CD1 3.96Å; F122-I132 HydrophobicContact CE1-CG1 3.88Å; F122-I132 HydrophobicContact CE1-CG2 3.59Å; F122-I132 HydrophobicContact CZ-CG2 4.44Å
123R92.1Very high88.4Confident54 Ų5453.8 Ų53.820%0.20428%0.276CS..EExtended strand (participates in β ladder)trans-137.7136166.2-171.6167.3175.9137.5-4.1109.2T27 I71 I72 Y125 W131T27-R123 PolarHBondContact O-NH2 3.46Å; I71-R123 HydrophobicContact CD1-CB 4.37Å; I71-R123 HydrophobicContact CG2-CB 3.85Å; I72-R123 VanDerWaalsContact CG1-CZ 3.42Å; R123-Y125 HydrophobicContact CB-CE2 4.21Å; R123-Y125 WeakPolarHBondContact CD-OH 3.34Å; R123-Y125 HydrophobicContact CG-CD2 4.45Å; R123-Y125 HydrophobicContact CG-CE2 3.84Å; R123-Y125 PolarHBondContact NE-OH 2.98Å; R123-W131 PolarHBondContact N-O 3.35Å; R123-W131 PolarHBondContact O-N 3.17Å
124E91.2Very high88.6Confident105 Ų10549.4 Ų49.449%0.49125%0.245SC..EExtended strand (participates in β ladder)trans-98.1149.2177.3-68.5163.8-134.200109.6L100 K104L100-E124 HydrophobicContact CD2-CG 3.72Å; L100-E124 WeakPolarHBondContact CD2-OE1 3.33Å; L100-E124 VanDerWaalsContact CD2-OE2 3.31Å; L100-E124 WeakPolarHBondContact CD2-OE2 3.44Å; K104-E124 IonicContact NZ-OE1 3.46Å; K104-E124 PolarHBondContact NZ-OE1 2.84Å
125Y87.4Confident88.9Confident48 Ų4846.8 Ų46.819%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-134.3160.8173.8-68.7-88.6000109.3H75 R123 D127 N128 A129 W131H75-Y125 HydrophobicContact CB-CE2 4.41Å; H75-Y125 VanDerWaalsContact CB-OH 3.29Å; H75-Y125 WeakPolarHBondContact CB-OH 3.12Å; H75-Y125 AromaticContact CD2-CE1 3.46Å; H75-Y125 VanDerWaalsContact CD2-CE1 3.46Å; H75-Y125 WeakPolarHBondContact CD2-CE1 3.5Å; H75-Y125 AromaticContact CD2-CZ 3.66Å; H75-Y125 AromaticContact CE1-CD1 3.61Å; H75-Y125 AromaticContact CE1-CE1 3.63Å; H75-Y125 AromaticContact CE1-CG 3.84Å; H75-Y125 AromaticContact CE1-CZ 3.83Å; H75-Y125 AromaticContact CG-CE1 3.71Å; H75-Y125 AromaticContact CG-CE2 3.96Å; H75-Y125 AromaticContact CG-CZ 3.4Å; H75-Y125 AromaticContact ND1-CE1 3.81Å; H75-Y125 AromaticContact ND1-CE2 3.65Å; H75-Y125 AromaticContact ND1-CZ 3.52Å; H75-Y125 AromaticContact NE2-CD1 3.61Å; H75-Y125 AromaticContact NE2-CE1 3.41Å; H75-Y125 WeakPolarHBondContact NE2-CE1 3.44Å; H75-Y125 AromaticContact NE2-CZ 3.93Å; R123-Y125 HydrophobicContact CB-CE2 4.21Å; R123-Y125 WeakPolarHBondContact CD-OH 3.34Å; R123-Y125 HydrophobicContact CG-CD2 4.45Å; R123-Y125 HydrophobicContact CG-CE2 3.84Å; R123-Y125 PolarHBondContact NE-OH 2.98Å; Y125-D127 PolarHBondContact O-N 3.19Å; Y125-N128 PolarHBondContact O-N 3.03Å; Y125-A129 PolarHBondContact N-O 3.3Å; Y125-A129 VanDerWaalsContact N-O 3.1Å; Y125-W131 AromaticContact CD2-CD1 3.29Å; Y125-W131 HydrophobicContact CD2-CG 4.03Å; Y125-W131 AromaticContact CD2-NE1 3.73Å; Y125-W131 HydrophobicContact CE2-CB 4.15Å; Y125-W131 AromaticContact CE2-CD1 3.43Å; Y125-W131 VanDerWaalsContact CE2-CD1 3.43Å; Y125-W131 HydrophobicContact CE2-CD2 4.37Å; Y125-W131 AromaticContact CE2-CG 3.72Å; Y125-W131 HydrophobicContact CE2-CG 3.72Å; Y125-W131 AromaticContact CE2-NE1 3.87Å
126E75.6Confident89.1Confident199 Ų19945.6 Ų45.693%0.9322%0.217SC*.THydrogen-bonded Turntrans-55.9-27.8-168.6-63.1177.4179.300114.4N128E126-N128 PolarHBondContact O-N 2.96Å
127D74.6Confident89.4Confident112 Ų11237 Ų3760%0.59918%0.183SC*.THydrogen-bonded Turntrans-73.717.1177.9-69.5-17.6000114.8Y125 A129Y125-D127 PolarHBondContact O-N 3.19Å; D127-A129 HydrophobicContact CB-CB 4.17Å; D127-A129 PolarHBondContact O-N 2.82Å; D127-A129 VanDerWaalsContact O-N 3.12Å
128N81.7Confident89.2Confident84 Ų8437.8 Ų37.845%0.44919%0.189SC..THydrogen-bonded Turntrans53.526.9-165.3-63-47.7000112.9Y125 E126 S155 Q156Y125-N128 PolarHBondContact O-N 3.03Å; E126-N128 PolarHBondContact O-N 2.96Å; N128-S155 PolarHBondContact O-N 3.08Å; N128-Q156 PolarHBondContact ND2-NE2 3.39Å; N128-Q156 VanDerWaalsContact ND2-NE2 3.11Å
129A88.2Confident88.8Confident2 Ų241.1 Ų41.12%0.01721%0.211CC..EExtended strand (participates in β ladder)trans-91.4122.7-179.200000109.8Y125 D127Y125-A129 PolarHBondContact N-O 3.3Å; Y125-A129 VanDerWaalsContact N-O 3.1Å; D127-A129 HydrophobicContact CB-CB 4.17Å; D127-A129 PolarHBondContact O-N 2.82Å; D127-A129 VanDerWaalsContact O-N 3.12Å
130I92.4Very high88.4Confident4 Ų450.4 Ų50.42%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-103.2116.5-180-53.9149.9000107.8F98 L100 F122 I132 V152 Y153F98-I130 HydrophobicContact CE1-CD1 4Å; F98-I130 HydrophobicContact CZ-CD1 4.03Å; L100-I130 HydrophobicContact CD1-CD1 3.31Å; L100-I130 HydrophobicContact CD1-CG1 3.73Å; L100-I130 HydrophobicContact CD1-CG2 4.5Å; F122-I130 HydrophobicContact CD1-CG2 4.18Å; I130-I132 HydrophobicContact CG2-CG1 4.06Å; I130-V152 WeakPolarHBondContact O-CA 3.39Å; I130-Y153 HydrophobicContact CD1-CD1 3.94Å; I130-Y153 PolarHBondContact N-O 3.47Å; I130-Y153 PolarHBondContact O-N 2.92Å
131W94.1Very high88Confident5 Ų557 Ų572%0.01927%0.273CS..EExtended strand (participates in β ladder)trans-91.8122172-75.365.5000109.4I71 N74 H75 W83 F122 R123 Y125 Y150 V151 V152 L197I71-W131 HydrophobicContact CG2-CB 3.88Å; I71-W131 HydrophobicContact CG2-CG 4.48Å; N74-W131 HydrophobicContact CB-CZ3 4.45Å; H75-W131 HydrophobicContact CB-CH2 4.28Å; H75-W131 HydrophobicContact CB-CZ2 4.24Å; H75-W131 HydrophobicContact CB-CZ3 4.44Å; H75-W131 AromaticContact CE1-NE1 3.99Å; H75-W131 AromaticContact ND1-CE2 3.31Å; H75-W131 VanDerWaalsContact ND1-CE2 3.31Å; H75-W131 AromaticContact ND1-CZ2 3.33Å; H75-W131 VanDerWaalsContact ND1-CZ2 3.33Å; H75-W131 WeakPolarHBondContact ND1-CZ2 3.46Å; H75-W131 AromaticContact ND1-NE1 3.36Å; H75-W131 PolarHBondContact ND1-NE1 2.9Å; W83-W131 HydrophobicContact CH2-CE3 4.44Å; W83-W131 AromaticContact CH2-CH2 3.96Å; W83-W131 HydrophobicContact CH2-CH2 3.96Å; W83-W131 AromaticContact CH2-CZ3 3.65Å; W83-W131 HydrophobicContact CH2-CZ3 3.65Å; W83-W131 AromaticContact CZ2-CH2 3.97Å; W83-W131 HydrophobicContact CZ2-CH2 3.97Å; W83-W131 AromaticContact CZ2-CZ3 3.96Å; W83-W131 HydrophobicContact CZ2-CZ3 3.96Å; F122-W131 CarbonylContact C-O 3.59Å; F122-W131 VanDerWaalsContact CA-O 3.31Å; F122-W131 WeakPolarHBondContact CA-O 3.34Å; R123-W131 PolarHBondContact N-O 3.35Å; R123-W131 PolarHBondContact O-N 3.17Å; Y125-W131 AromaticContact CD2-CD1 3.29Å; Y125-W131 HydrophobicContact CD2-CG 4.03Å; Y125-W131 AromaticContact CD2-NE1 3.73Å; Y125-W131 HydrophobicContact CE2-CB 4.15Å; Y125-W131 AromaticContact CE2-CD1 3.43Å; Y125-W131 VanDerWaalsContact CE2-CD1 3.43Å; Y125-W131 HydrophobicContact CE2-CD2 4.37Å; Y125-W131 AromaticContact CE2-CG 3.72Å; Y125-W131 HydrophobicContact CE2-CG 3.72Å; Y125-W131 AromaticContact CE2-NE1 3.87Å; W131-Y150 HydrophobicContact CE3-CD1 4.39Å; W131-V151 WeakPolarHBondContact CA-O 3.46Å; W131-V152 HydrophobicContact CD2-CG2 3.6Å; W131-V152 HydrophobicContact CE3-CG2 3.79Å; W131-V152 HydrophobicContact CG-CG2 4.2Å; W131-V152 HydrophobicContact CH2-CG2 3.9Å; W131-V152 HydrophobicContact CZ2-CG2 3.72Å; W131-V152 HydrophobicContact CZ3-CG2 3.93Å; W131-L197 HydrophobicContact CH2-CD2 3.92Å; W131-L197 HydrophobicContact CZ2-CD2 3.8Å
132I94.8Very high87.7Confident0 Ų063.8 Ų63.80%030%0.302CS..EExtended strand (participates in β ladder)trans-114.8118.5179.6-40177.8000107.8F103 F107 I120 N121 F122 I130 I134 Y150 V151 L178F103-I132 HydrophobicContact CE1-CD1 4.06Å; F103-I132 HydrophobicContact CZ-CD1 4.18Å; F107-I132 HydrophobicContact CE1-CD1 4.5Å; F107-I132 HydrophobicContact CE1-CG2 3.78Å; F107-I132 HydrophobicContact CZ-CD1 4.38Å; F107-I132 HydrophobicContact CZ-CG2 4.28Å; I120-I132 HydrophobicContact CG2-CG2 3.96Å; N121-I132 WeakPolarHBondContact O-CA 3.45Å; F122-I132 HydrophobicContact CD1-CB 4.22Å; F122-I132 HydrophobicContact CD1-CD1 4.37Å; F122-I132 HydrophobicContact CD1-CG1 3.81Å; F122-I132 HydrophobicContact CD1-CG2 3.85Å; F122-I132 HydrophobicContact CE1-CB 4.28Å; F122-I132 HydrophobicContact CE1-CD1 3.96Å; F122-I132 HydrophobicContact CE1-CG1 3.88Å; F122-I132 HydrophobicContact CE1-CG2 3.59Å; F122-I132 HydrophobicContact CZ-CG2 4.44Å; I130-I132 HydrophobicContact CG2-CG1 4.06Å; I132-I134 HydrophobicContact CG2-CD1 4.25Å; I132-I134 HydrophobicContact CG2-CG1 3.97Å; I132-Y150 CarbonylContact O-C 3.54Å; I132-Y150 WeakPolarHBondContact O-CA 3.48Å; I132-V151 HydrophobicContact CB-CB 4.07Å; I132-V151 HydrophobicContact CD1-CB 4.28Å; I132-V151 HydrophobicContact CD1-CG1 4.33Å; I132-V151 HydrophobicContact CG1-CB 4.33Å; I132-V151 PolarHBondContact N-O 3.19Å; I132-V151 PolarHBondContact O-N 2.65Å; I132-L178 HydrophobicContact CD1-CD2 4.26Å
133R94.6Very high87.4Confident0 Ų063.7 Ų63.70%031%0.305CS..EExtended strand (participates in β ladder)trans-102129.9171.4-179.9-175.9173-77.711.3109.3Y8 D70 I71 I120 N121 Q145 T148 Y150Y8-R133 PolarHBondContact OH-NH2 2.97Å; D70-R133 IonicContact OD2-CZ 3.55Å; D70-R133 IonicContact OD2-NE 2.74Å; D70-R133 PolarHBondContact OD2-NE 3.04Å; D70-R133 IonicContact OD2-NH2 3.76Å; I71-R133 HydrophobicContact CD1-CB 3.8Å; I71-R133 HydrophobicContact CG1-CB 3.61Å; I71-R133 HydrophobicContact CG1-CG 4.39Å; I120-R133 WeakPolarHBondContact CA-O 3.39Å; N121-R133 PolarHBondContact N-O 2.9Å; N121-R133 PolarHBondContact O-N 3.26Å; R133-Q145 PolarHBondContact NH2-O 2.69Å; R133-Q145 VanDerWaalsContact NH2-O 3.08Å; R133-T148 HydrophobicContact CG-CG2 4.17Å; R133-T148 VanDerWaalsContact NH2-CG2 3.31Å; R133-Y150 HydrophobicContact CB-CD1 4.2Å; R133-Y150 HydrophobicContact CB-CE1 3.75Å; R133-Y150 WeakPolarHBondContact CD-OH 2.91Å; R133-Y150 HydrophobicContact CG-CD1 4.48Å; R133-Y150 HydrophobicContact CG-CE1 3.78Å
134I93.1Very high87.2Confident0 Ų064.3 Ų64.30%031%0.312CS..EExtended strand (participates in β ladder)trans-126.5117.4-178.6-49.7172.2000109F107 L111 V118 T119 I120 I132 W136 T148 S149 V151 L174F107-I134 HydrophobicContact CE1-CD1 4.07Å; F107-I134 HydrophobicContact CZ-CD1 3.81Å; L111-I134 HydrophobicContact CD1-CD1 4.13Å; V118-I134 HydrophobicContact CG1-CG2 4.36Å; T119-I134 WeakPolarHBondContact O-CA 3.3Å; I120-I134 HydrophobicContact CG1-CG2 4.45Å; I132-I134 HydrophobicContact CG2-CD1 4.25Å; I132-I134 HydrophobicContact CG2-CG1 3.97Å; I134-W136 HydrophobicContact CB-CZ2 4.11Å; I134-W136 HydrophobicContact CD1-CH2 4.41Å; I134-W136 HydrophobicContact CD1-CZ2 4.18Å; I134-W136 HydrophobicContact CG2-CD2 3.85Å; I134-W136 HydrophobicContact CG2-CE3 4.02Å; I134-W136 HydrophobicContact CG2-CH2 3.73Å; I134-W136 HydrophobicContact CG2-CZ2 3.53Å; I134-W136 HydrophobicContact CG2-CZ3 3.96Å; I134-T148 WeakPolarHBondContact O-CA 3.37Å; I134-S149 PolarHBondContact N-O 3.35Å; I134-S149 PolarHBondContact O-N 3.38Å; I134-V151 HydrophobicContact CD1-CG2 4.46Å; I134-L174 HydrophobicContact CD1-CD1 3.24Å; I134-L174 HydrophobicContact CD1-CD2 4.36Å; I134-L174 HydrophobicContact CD1-CG 4.41Å
135A91.7Very high87Confident0 Ų060.2 Ų60.20%029%0.293CS..EExtended strand (participates in β ladder)trans-99.7121.3168.900000109T119 P143 T148T119-A135 PolarHBondContact N-O 3.39Å; T119-A135 VanDerWaalsContact N-O 3.09Å; T119-A135 PolarHBondContact O-N 2.86Å; A135-P143 HydrophobicContact CB-CB 4.12Å; A135-P143 WeakPolarHBondContact O-CB 3.4Å; A135-T148 HydrophobicContact CB-CG2 3.93Å
136W90Very high86.9Confident8 Ų862.1 Ų62.13%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-90.7133.5-177-53.9101.4000110.9L111 L115 V118 I134 P143 N144 S149 L167 T170 L173 L174L111-W136 HydrophobicContact CD2-CH2 4.11Å; L111-W136 HydrophobicContact CD2-CZ3 4.16Å; L115-W136 HydrophobicContact CD1-CE3 3.67Å; L115-W136 HydrophobicContact CD1-CZ3 3.83Å; V118-W136 HydrophobicContact CG2-CE3 3.83Å; V118-W136 HydrophobicContact CG2-CZ3 4.26Å; I134-W136 HydrophobicContact CB-CZ2 4.11Å; I134-W136 HydrophobicContact CD1-CH2 4.41Å; I134-W136 HydrophobicContact CD1-CZ2 4.18Å; I134-W136 HydrophobicContact CG2-CD2 3.85Å; I134-W136 HydrophobicContact CG2-CE3 4.02Å; I134-W136 HydrophobicContact CG2-CH2 3.73Å; I134-W136 HydrophobicContact CG2-CZ2 3.53Å; I134-W136 HydrophobicContact CG2-CZ3 3.96Å; W136-P143 WeakPolarHBondContact O-CA 3.45Å; W136-N144 PolarHBondContact O-N 3.26Å; W136-S149 PolarHBondContact NE1-OG 3.07Å; W136-L167 HydrophobicContact CB-CD1 4.24Å; W136-T170 HydrophobicContact CD2-CG2 3.97Å; W136-T170 HydrophobicContact CE3-CG2 4.02Å; W136-T170 HydrophobicContact CG-CG2 4.21Å; W136-L173 HydrophobicContact CZ3-CD2 4.49Å; W136-L174 HydrophobicContact CH2-CB 4.06Å; W136-L174 HydrophobicContact CH2-CD1 4.48Å; W136-L174 HydrophobicContact CZ2-CB 4.18Å; W136-L174 HydrophobicContact CZ2-CD2 4.32Å
137G87Confident87.4Confident11 Ų1157.8 Ų57.811%0.11328%0.279CS..  trans-116.1172.7165.900000110.8N117N117-G137 WeakPolarHBondContact O-CA 3.21Å; N117-G137 PolarHBondContact O-N 2.82Å
138T83.5Confident88.1Confident67 Ų6752.6 Ų52.641%0.41125%0.251SS..BIsolated β-bridgetrans-106.1167.6169.766.70000108.6N117 Y140 K141N117-T138 PolarHBondContact ND2-O 3.49Å; T138-Y140 PolarHBondContact O-N 2.87Å; T138-K141 PolarHBondContact N-O 2.96Å; T138-K141 PolarHBondContact O-N 3.07Å; T138-K141 VanDerWaalsContact O-N 3.17Å; T138-K141 WeakPolarHBondContact OG1-CB 3.39Å; T138-K141 PolarHBondContact OG1-N 3.02Å
139P81.6Confident88.6Confident87 Ų8748.7 Ų48.757%0.56523%0.23SC*.THydrogen-bonded Turntrans-52.8-27.6177.1-28.236.5000113.8N117N117-P139 PolarHBondContact ND2-O 2.92Å
140Y82.6Confident88.9Confident216 Ų21648.6 Ų48.685%0.84723%0.23SC*.THydrogen-bonded Turntrans-106.4-9.3-176-48.9-72.2000114.5T138T138-Y140 PolarHBondContact O-N 2.87Å
141K85Confident89Confident150 Ų15048.4 Ų48.465%0.65223%0.229SC*.BIsolated β-bridgetrans-126.5137.9-177.5-65.8-176.3174.8-179.50111.5N117 T138N117-K141 PolarHBondContact ND2-O 3.5Å; T138-K141 PolarHBondContact N-O 2.96Å; T138-K141 PolarHBondContact O-N 3.07Å; T138-K141 VanDerWaalsContact O-N 3.17Å; T138-K141 WeakPolarHBondContact OG1-CB 3.39Å; T138-K141 PolarHBondContact OG1-N 3.02Å
142K86.3Confident89Confident157 Ų15748.2 Ų48.268%0.68323%0.228SC*.  trans-54149.2170.4-70.2-173.1-179.7-176.40110.5N144K142-N144 PolarHBondContact O-N 3.18Å
143P87Confident88.8Confident28 Ų2848.3 Ų48.318%0.18223%0.228CC..  trans-62.7134-17824.6-32.7000112T119 A135 W136 Q145T119-P143 WeakPolarHBondContact OG1-CG 3.38Å; A135-P143 HydrophobicContact CB-CB 4.12Å; A135-P143 WeakPolarHBondContact O-CB 3.4Å; W136-P143 WeakPolarHBondContact O-CA 3.45Å; P143-Q145 PolarHBondContact O-N 3.07Å
144N88Confident88.5Confident67 Ų6749 Ų4936%0.35823%0.231SC..  trans-81.1107.1-179-173.7-18000110.9W136 K142 Y146 K147W136-N144 PolarHBondContact O-N 3.26Å; K142-N144 PolarHBondContact O-N 3.18Å; N144-Y146 VanDerWaalsContact C-N 3.26Å; N144-Y146 PolarHBondContact O-N 2.87Å; N144-Y146 WeakPolarHBondContact OD1-CB 3.49Å; N144-Y146 PolarHBondContact OD1-N 3.39Å; N144-K147 PolarHBondContact O-N 3.48Å; N144-K147 PolarHBondContact OD1-N 3.34Å
145Q87.2Confident88Confident19 Ų1950.3 Ų50.39%0.08924%0.241CC..THydrogen-bonded Turntrans-72.7-16.8-177.9-56.2-61.1-24.600113.7Y8 I63 T119 R133 P143 T148Y8-Q145 HydrophobicContact CD2-CB 3.99Å; Y8-Q145 HydrophobicContact CE2-CB 3.86Å; Y8-Q145 WeakPolarHBondContact CE2-O 3.46Å; Y8-Q145 HydrophobicContact CG-CB 4.44Å; I63-Q145 HydrophobicContact CD1-CG 3.75Å; I63-Q145 HydrophobicContact CG1-CG 4.23Å; T119-Q145 PolarHBondContact OG1-NE2 2.96Å; T119-Q145 VanDerWaalsContact OG1-NE2 3.08Å; R133-Q145 PolarHBondContact NH2-O 2.69Å; R133-Q145 VanDerWaalsContact NH2-O 3.08Å; P143-Q145 PolarHBondContact O-N 3.07Å; Q145-T148 WeakPolarHBondContact O-CG2 3.17Å
146Y85.4Confident87.6Confident88 Ų8857.4 Ų57.435%0.34527%0.274SS..THydrogen-bonded Turntrans-85.4-23.4178-59.7-77.8000112.9Y8 R11 N144Y8-Y146 HydrophobicContact CD2-CD1 4.07Å; Y8-Y146 AromaticContact CD2-CE1 3.68Å; Y8-Y146 HydrophobicContact CD2-CE1 3.68Å; Y8-Y146 AromaticContact CD2-CZ 4Å; Y8-Y146 HydrophobicContact CE2-CD1 4.28Å; Y8-Y146 HydrophobicContact CE2-CE1 4.33Å; R11-Y146 HydrophobicContact CB-CE1 4.5Å; N144-Y146 VanDerWaalsContact C-N 3.26Å; N144-Y146 PolarHBondContact O-N 2.87Å; N144-Y146 WeakPolarHBondContact OD1-CB 3.49Å; N144-Y146 PolarHBondContact OD1-N 3.39Å
147K86.5Confident87.3Confident109 Ų10958 Ų5847%0.47428%0.278SS..SBendtrans-113.464.9-176.4-70.8-169.8178.1-178.60111.4N144 S165N144-K147 PolarHBondContact O-N 3.48Å; N144-K147 PolarHBondContact OD1-N 3.34Å; K147-S165 VanDerWaalsContact C-OG 3.31Å; K147-S165 PolarHBondContact O-OG 3.46Å
148T89.9Confident87.4Confident2 Ų259.5 Ų59.51%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-91.2145-175.648.90000113.2R81 R133 I134 A135 Q145 Y150R81-T148 PolarHBondContact NH1-O 3.13Å; R81-T148 VanDerWaalsContact NH1-O 3.07Å; R81-T148 PolarHBondContact NH2-OG1 3.25Å; R133-T148 HydrophobicContact CG-CG2 4.17Å; R133-T148 VanDerWaalsContact NH2-CG2 3.31Å; I134-T148 WeakPolarHBondContact O-CA 3.37Å; A135-T148 HydrophobicContact CB-CG2 3.93Å; Q145-T148 WeakPolarHBondContact O-CG2 3.17Å; T148-Y150 VanDerWaalsContact OG1-CE2 3.25Å; T148-Y150 WeakPolarHBondContact OG1-CE2 3.49Å
149S92.4Very high87.8Confident3 Ų358.5 Ų58.52%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-94.1144.5165.1-640000109.5I134 W136 S163 S165I134-S149 PolarHBondContact N-O 3.35Å; I134-S149 PolarHBondContact O-N 3.38Å; W136-S149 PolarHBondContact NE1-OG 3.07Å; S149-S163 WeakPolarHBondContact CA-O 3.46Å; S149-S165 WeakPolarHBondContact OG-CB 3.38Å; S149-S165 PolarHBondContact OG-N 3.41Å; S149-S165 VanDerWaalsContact OG-N 3.15Å
150Y93.8Very high88.3Confident0 Ų054.4 Ų54.40%025%0.248CC..EExtended strand (participates in β ladder)trans-118.6140.4176.3-75.7-87.9000110.4D70 I71 N74 R81 W131 I132 R133 T148 I162 S163D70-Y150 PolarHBondContact OD1-OH 2.82Å; D70-Y150 PolarHBondContact OD2-OH 3.4Å; I71-Y150 HydrophobicContact CG1-CE1 4.12Å; N74-Y150 HydrophobicContact CB-CE1 4.09Å; N74-Y150 HydrophobicContact CB-CE2 4.43Å; N74-Y150 PolarHBondContact ND2-OH 2.83Å; R81-Y150 VanDerWaalsContact CZ-CD2 3.47Å; R81-Y150 VanDerWaalsContact CZ-CE2 3.46Å; W131-Y150 HydrophobicContact CE3-CD1 4.39Å; I132-Y150 CarbonylContact O-C 3.54Å; I132-Y150 WeakPolarHBondContact O-CA 3.48Å; R133-Y150 HydrophobicContact CB-CD1 4.2Å; R133-Y150 HydrophobicContact CB-CE1 3.75Å; R133-Y150 WeakPolarHBondContact CD-OH 2.91Å; R133-Y150 HydrophobicContact CG-CD1 4.48Å; R133-Y150 HydrophobicContact CG-CE1 3.78Å; T148-Y150 VanDerWaalsContact OG1-CE2 3.25Å; T148-Y150 WeakPolarHBondContact OG1-CE2 3.49Å; Y150-I162 WeakPolarHBondContact O-CA 3.42Å; Y150-S163 PolarHBondContact N-O 2.98Å; Y150-S163 PolarHBondContact O-N 2.93Å
151V94.3Very high88.9Confident0 Ų044.1 Ų44.10%021%0.208CC..EExtended strand (participates in β ladder)trans-127.7133.1172-175.70000108.5W131 I132 I134 V160 F161 I162 L174 L178W131-V151 WeakPolarHBondContact CA-O 3.46Å; I132-V151 HydrophobicContact CB-CB 4.07Å; I132-V151 HydrophobicContact CD1-CB 4.28Å; I132-V151 HydrophobicContact CD1-CG1 4.33Å; I132-V151 HydrophobicContact CG1-CB 4.33Å; I132-V151 PolarHBondContact N-O 3.19Å; I132-V151 PolarHBondContact O-N 2.65Å; I134-V151 HydrophobicContact CD1-CG2 4.46Å; V151-V160 HydrophobicContact CG1-CG1 3.29Å; V151-F161 CarbonylContact C-O 3.55Å; V151-F161 WeakPolarHBondContact CA-O 3.46Å; V151-I162 HydrophobicContact CG1-CG1 4.26Å; V151-I162 HydrophobicContact CG2-CG1 4.23Å; V151-I162 HydrophobicContact CG2-CG2 4.37Å; V151-L174 HydrophobicContact CG2-CD1 4.1Å; V151-L174 HydrophobicContact CG2-CD2 3.78Å; V151-L174 HydrophobicContact CG2-CG 4.33Å; V151-L178 HydrophobicContact CG1-CD1 4.17Å; V151-L178 HydrophobicContact CG1-CD2 4.12Å
152V94.1Very high89.3Confident0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-115.7115.6170-177.20000107.1W83 I130 W131 F161 L197W83-V152 HydrophobicContact CH2-CG2 3.78Å; W83-V152 HydrophobicContact CZ3-CG2 3.71Å; I130-V152 WeakPolarHBondContact O-CA 3.39Å; W131-V152 HydrophobicContact CD2-CG2 3.6Å; W131-V152 HydrophobicContact CE3-CG2 3.79Å; W131-V152 HydrophobicContact CG-CG2 4.2Å; W131-V152 HydrophobicContact CH2-CG2 3.9Å; W131-V152 HydrophobicContact CZ2-CG2 3.72Å; W131-V152 HydrophobicContact CZ3-CG2 3.93Å; V152-F161 HydrophobicContact CB-CB 4.25Å; V152-F161 PolarHBondContact N-O 3.43Å; V152-F161 PolarHBondContact O-N 3.46Å; V152-L197 HydrophobicContact CG2-CD2 4.05Å
153Y91.7Very high89.5Confident3 Ų329.8 Ų29.81%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-119.8134.3-179.7176.3-122.5000109.8M88 F98 F103 I130 V160M88-Y153 HydrophobicContact CE-CD2 4.01Å; M88-Y153 HydrophobicContact CE-CE2 3.31Å; F98-Y153 AromaticContact CE2-CE1 3.7Å; F98-Y153 HydrophobicContact CE2-CE1 3.7Å; F98-Y153 HydrophobicContact CZ-CD1 4.37Å; F98-Y153 AromaticContact CZ-CE1 3.7Å; F98-Y153 HydrophobicContact CZ-CE1 3.7Å; F103-Y153 HydrophobicContact CE2-CD1 4.34Å; F103-Y153 HydrophobicContact CE2-CE1 4.28Å; F103-Y153 HydrophobicContact CZ-CD1 4.08Å; F103-Y153 HydrophobicContact CZ-CE1 4.48Å; I130-Y153 HydrophobicContact CD1-CD1 3.94Å; I130-Y153 PolarHBondContact N-O 3.47Å; I130-Y153 PolarHBondContact O-N 2.92Å; Y153-V160 HydrophobicContact CD2-CG2 3.58Å; Y153-V160 HydrophobicContact CE2-CG2 4.14Å; Y153-V160 HydrophobicContact CG-CG2 4.47Å
154H88.5Confident89.2Confident13 Ų1330.8 Ų30.86%0.0616%0.157CC..EExtended strand (participates in β ladder)trans-107.2117.9176-67.5-97.2000108Q156 T157 F161 K201 F205H154-Q156 PolarHBondContact O-N 3.02Å; H154-Q156 VanDerWaalsContact O-N 3.08Å; H154-T157 HydrophobicContact CB-CG2 4.42Å; H154-T157 WeakPolarHBondContact CB-OG1 3.18Å; H154-T157 PolarHBondContact O-N 3.4Å; H154-F161 AromaticContact CD2-CE2 3.94Å; H154-K201 WeakPolarHBondContact NE2-CE 3.34Å; H154-F205 AromaticContact CD2-CZ 3.98Å
155S82.3Confident88.4Confident29 Ų2928.2 Ų28.220%0.20314%0.144CC..THydrogen-bonded Turntrans-58.6-27-173.2570000114.1F98 N128F98-S155 VanDerWaalsContact CD1-CB 3.42Å; N128-S155 PolarHBondContact O-N 3.08Å
156Q81.7Confident87.3Confident148 Ų14832.9 Ų32.969%0.69217%0.174SC*.THydrogen-bonded Turntrans-85.7-5.8-177.9-61.6179.8-8.700113.9N128 H154N128-Q156 PolarHBondContact ND2-NE2 3.39Å; N128-Q156 VanDerWaalsContact ND2-NE2 3.11Å; H154-Q156 PolarHBondContact O-N 3.02Å; H154-Q156 VanDerWaalsContact O-N 3.08Å
157T85.7Confident86.4Confident21 Ų2132.6 Ų32.613%0.12918%0.178CC..SBendtrans-132148.3-17375.60000112H154 Y159 F205H154-T157 HydrophobicContact CB-CG2 4.42Å; H154-T157 WeakPolarHBondContact CB-OG1 3.18Å; H154-T157 PolarHBondContact O-N 3.4Å; T157-Y159 PolarHBondContact O-N 2.95Å; T157-F205 HydrophobicContact CG2-CD1 4.27Å; T157-F205 HydrophobicContact CG2-CE1 3.68Å; T157-F205 HydrophobicContact CG2-CZ 4Å
158P88.3Confident85.7Confident42 Ų4236.8 Ų36.827%0.27319%0.191SC..SBendtrans-73.76.4176.531.3-36000113.7M88 Y184M88-P158 PolarHBondContact N-O 3.39Å; M88-P158 VanDerWaalsContact O-CB 3.27Å; M88-P158 WeakPolarHBondContact O-CB 3.49Å; P158-Y184 HydrophobicContact CB-CE1 3.92Å
159Y91.1Very high85.2Confident47 Ų4741.3 Ų41.318%0.18422%0.222CC..EExtended strand (participates in β ladder)trans-101.7137.8-171.9-59.6-71.8000111.8Y86 Q87 T157 M190 V204 F205Y86-Y159 WeakPolarHBondContact O-CA 3.45Å; Q87-Y159 HydrophobicContact CB-CD1 4.01Å; Q87-Y159 HydrophobicContact CB-CE1 3.98Å; Q87-Y159 HydrophobicContact CG-CD1 4.07Å; Q87-Y159 HydrophobicContact CG-CE1 3.71Å; T157-Y159 PolarHBondContact O-N 2.95Å; Y159-M190 HydrophobicContact CD1-SD 3.78Å; Y159-M190 HydrophobicContact CE1-CE 4.24Å; Y159-M190 HydrophobicContact CE1-SD 3.58Å; Y159-M190 VanDerWaalsContact CE1-SD 3.58Å; Y159-V204 HydrophobicContact CD1-CG1 3.31Å; Y159-V204 HydrophobicContact CD2-CG1 3.36Å; Y159-V204 HydrophobicContact CE1-CG1 3.53Å; Y159-V204 HydrophobicContact CE2-CG1 3.56Å; Y159-V204 HydrophobicContact CG-CG1 3.21Å; Y159-F205 HydrophobicContact CD2-CD1 4.01Å; Y159-F205 AromaticContact CD2-CE1 3.82Å; Y159-F205 HydrophobicContact CD2-CE1 3.82Å; Y159-F205 HydrophobicContact CE2-CD1 4.49Å; Y159-F205 HydrophobicContact CG-CE1 4.43Å
160V92.8Very high84.7Confident0 Ų042.1 Ų42.10%023%0.227CC..EExtended strand (participates in β ladder)trans-127.6133.8178.6-175.70000109Y86 M88 V151 Y153 I162 L178Y86-V160 PolarHBondContact N-O 3.48Å; Y86-V160 PolarHBondContact O-N 3.29Å; M88-V160 HydrophobicContact CE-CG2 3.47Å; M88-V160 VanDerWaalsContact CE-CG2 3.47Å; M88-V160 HydrophobicContact CG-CG2 4.16Å; M88-V160 HydrophobicContact SD-CG2 3.72Å; V151-V160 HydrophobicContact CG1-CG1 3.29Å; Y153-V160 HydrophobicContact CD2-CG2 3.58Å; Y153-V160 HydrophobicContact CE2-CG2 4.14Å; Y153-V160 HydrophobicContact CG-CG2 4.47Å; V160-I162 HydrophobicContact CG1-CD1 4.31Å; V160-I162 HydrophobicContact CG1-CG1 3.85Å; V160-L178 HydrophobicContact CG1-CD1 3.99Å
161F94.2Very high84.4Confident0 Ų043.7 Ų43.70%024%0.236CC..EExtended strand (participates in β ladder)trans-105120.7175.7-53.4-90.5000108.8W83 V85 V151 V152 H154 L197 L200 K201 V204 F205W83-F161 HydrophobicContact CE3-CB 4.16Å; V85-F161 HydrophobicContact CG1-CE1 4.21Å; V85-F161 HydrophobicContact CG2-CD1 3.8Å; V85-F161 HydrophobicContact CG2-CE1 3.78Å; V151-F161 CarbonylContact C-O 3.55Å; V151-F161 WeakPolarHBondContact CA-O 3.46Å; V152-F161 HydrophobicContact CB-CB 4.25Å; V152-F161 PolarHBondContact N-O 3.43Å; V152-F161 PolarHBondContact O-N 3.46Å; H154-F161 AromaticContact CD2-CE2 3.94Å; F161-L197 HydrophobicContact CB-CD1 3.62Å; F161-L197 HydrophobicContact CD1-CD1 3.75Å; F161-L197 HydrophobicContact CD2-CD1 4.25Å; F161-L197 HydrophobicContact CG-CD1 3.6Å; F161-L200 HydrophobicContact CD1-CB 4.13Å; F161-L200 HydrophobicContact CD1-CD1 4.45Å; F161-L200 HydrophobicContact CE1-CB 3.81Å; F161-K201 HydrophobicContact CE1-CG 4.41Å; F161-K201 HydrophobicContact CE2-CG 3.99Å; F161-K201 HydrophobicContact CZ-CB 4.4Å; F161-K201 HydrophobicContact CZ-CG 3.81Å; F161-V204 HydrophobicContact CE1-CG2 4.42Å; F161-F205 HydrophobicContact CE2-CZ 4.23Å; F161-F205 HydrophobicContact CZ-CZ 4.4Å
162I93.9Very high84.2Confident1 Ų147.9 Ų47.91%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-118.7126-177.1-54.6-178.1000109.1S84 Y86 Y150 V151 V160 L171 L174 L178S84-I162 PolarHBondContact N-O 3.31Å; S84-I162 PolarHBondContact O-N 3.35Å; Y86-I162 HydrophobicContact CD2-CB 3.98Å; Y86-I162 HydrophobicContact CD2-CD1 3.61Å; Y86-I162 HydrophobicContact CD2-CG1 3.7Å; Y86-I162 HydrophobicContact CE2-CB 3.78Å; Y86-I162 HydrophobicContact CE2-CD1 3.8Å; Y86-I162 HydrophobicContact CE2-CG1 3.97Å; Y86-I162 HydrophobicContact CG-CD1 4.1Å; Y150-I162 WeakPolarHBondContact O-CA 3.42Å; V151-I162 HydrophobicContact CG1-CG1 4.26Å; V151-I162 HydrophobicContact CG2-CG1 4.23Å; V151-I162 HydrophobicContact CG2-CG2 4.37Å; V160-I162 HydrophobicContact CG1-CD1 4.31Å; V160-I162 HydrophobicContact CG1-CG1 3.85Å; I162-L171 HydrophobicContact CD1-CD1 4.4Å; I162-L171 HydrophobicContact CG2-CD1 4.11Å; I162-L174 HydrophobicContact CD1-CD2 4.39Å; I162-L174 HydrophobicContact CG2-CD2 3.98Å; I162-L178 HydrophobicContact CD1-CD1 3.88Å
163S91.3Very high84Confident5 Ų549.8 Ų49.84%0.03527%0.273CS..EExtended strand (participates in β ladder)trans-101.8101.7162.9-171.90000108.6I82 S149 Y150I82-S163 WeakPolarHBondContact O-CB 3.38Å; I82-S163 PolarHBondContact O-OG 2.87Å; S149-S163 WeakPolarHBondContact CA-O 3.46Å; Y150-S163 PolarHBondContact N-O 2.98Å; Y150-S163 PolarHBondContact O-N 2.93Å
164A79.8Confident84Confident49 Ų4949.7 Ų49.741%0.40527%0.272SS..  trans-77.5135.3-178.200000111.4
165S72.6Confident84.1Confident13 Ų1349.7 Ų49.79%0.09127%0.274CS..  trans-70.6171.7166.3-174.60000111.3K147 S149 L167K147-S165 VanDerWaalsContact C-OG 3.31Å; K147-S165 PolarHBondContact O-OG 3.46Å; S149-S165 WeakPolarHBondContact OG-CB 3.38Å; S149-S165 PolarHBondContact OG-N 3.41Å; S149-S165 VanDerWaalsContact OG-N 3.15Å; S165-L167 PolarHBondContact O-N 2.82Å
166V62.4Low84.5Confident117 Ų11754.3 Ų54.371%0.70929%0.292SS*.SBendtrans-53.8-25.9-177.4-176.50000113R168V166-R168 PolarHBondContact O-N 2.91Å
167L66.9Low85Confident82 Ų8247.4 Ų47.443%0.42926%0.26SS..  trans-78.979.1176.8-69.9158.8000111.2W136 S165 S169 T170W136-L167 HydrophobicContact CB-CD1 4.24Å; S165-L167 PolarHBondContact O-N 2.82Å; L167-S169 PolarHBondContact O-N 3.26Å; L167-S169 VanDerWaalsContact O-N 3.15Å; L167-T170 HydrophobicContact CB-CG2 4.3Å; L167-T170 PolarHBondContact O-N 2.9Å; L167-T170 PolarHBondContact O-OG1 2.88Å
168R71.6Confident85.3Confident197 Ų19746.5 Ų46.574%0.74326%0.255SS*.G310 helixtrans-60.5-21.6175.8-71.7-169.7179.8166.32.9113.8V166 T170 L171V166-R168 PolarHBondContact O-N 2.91Å; R168-T170 VanDerWaalsContact C-N 3.26Å; R168-T170 PolarHBondContact O-N 3.49Å; R168-L171 WeakPolarHBondContact O-CB 3.28Å; R168-L171 PolarHBondContact O-N 3.45Å
169S79.5Confident85.5Confident97 Ų9745.2 Ų45.268%0.67825%0.246SC*.G310 helixtrans-66.5-22.8178.953.80000114L167 L171 P172L167-S169 PolarHBondContact O-N 3.26Å; L167-S169 VanDerWaalsContact O-N 3.15Å; S169-L171 VanDerWaalsContact C-N 3.35Å; S169-P172 WeakPolarHBondContact O-CD 3.34Å
170T82.9Confident85.4Confident20 Ų2045.4 Ų45.412%0.12325%0.252CS..G310 helixtrans-86-9.617962.20000113W136 L167 R168 L173 L174W136-T170 HydrophobicContact CD2-CG2 3.97Å; W136-T170 HydrophobicContact CE3-CG2 4.02Å; W136-T170 HydrophobicContact CG-CG2 4.21Å; L167-T170 HydrophobicContact CB-CG2 4.3Å; L167-T170 PolarHBondContact O-N 2.9Å; L167-T170 PolarHBondContact O-OG1 2.88Å; R168-T170 VanDerWaalsContact C-N 3.26Å; R168-T170 PolarHBondContact O-N 3.49Å; T170-L173 PolarHBondContact O-N 3.39Å; T170-L174 PolarHBondContact O-N 3.22Å
171L87Confident85.3Confident34 Ų3445.6 Ų45.618%0.17825%0.254CS..Hα-helixtrans-63.1-44.9-177.5-177.467.6000113.3Y86 I162 R168 S169 L173 L174 C175Y86-L171 WeakPolarHBondContact OH-CD2 3.45Å; I162-L171 HydrophobicContact CD1-CD1 4.4Å; I162-L171 HydrophobicContact CG2-CD1 4.11Å; R168-L171 WeakPolarHBondContact O-CB 3.28Å; R168-L171 PolarHBondContact O-N 3.45Å; S169-L171 VanDerWaalsContact C-N 3.35Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 PolarHBondContact O-N 2.77Å; L171-L174 WeakPolarHBondContact O-CB 3.45Å; L171-L174 PolarHBondContact O-N 3.2Å; L171-C175 WeakPolarHBondContact O-CB 3.28Å; L171-C175 PolarHBondContact O-N 2.85Å; L171-C175 PolarHBondContact O-SG 2.86Å; L171-C175 VanDerWaalsContact O-SG 3.34Å
172P89.9Confident84.8Confident87 Ų8745.9 Ų45.957%0.56526%0.256SS*.Hα-helixtrans-60.3-40.5177.2-23.535.1000112.6S169 C175 Q176S169-P172 WeakPolarHBondContact O-CD 3.34Å; P172-C175 PolarHBondContact O-N 2.87Å; P172-Q176 WeakPolarHBondContact O-CB 3.46Å; P172-Q176 PolarHBondContact O-N 2.93Å
173L90.2Very high84.4Confident40 Ų4049.4 Ų49.421%0.20928%0.275CS..Hα-helixtrans-64-41.8176.7176.864.4000111.6L111 A114 L115 W136 T170 L171 Q176 A177L111-L173 HydrophobicContact CD2-CD2 4.26Å; L111-L173 HydrophobicContact CD2-CG 3.92Å; A114-L173 HydrophobicContact CB-CD1 3.5Å; A114-L173 HydrophobicContact CB-CD2 3.75Å; A114-L173 HydrophobicContact CB-CG 4.25Å; L115-L173 HydrophobicContact CD1-CD2 3.66Å; L115-L173 HydrophobicContact CG-CD2 3.93Å; W136-L173 HydrophobicContact CZ3-CD2 4.49Å; T170-L173 PolarHBondContact O-N 3.39Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 PolarHBondContact O-N 2.77Å; L173-Q176 PolarHBondContact O-N 3.06Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.15Å
174L91.6Very high84.2Confident2 Ų250.7 Ų50.71%0.0128%0.279CS..Hα-helixtrans-60.9-49174.8175.757.6000111.5F107 I134 W136 V151 I162 T170 L171 Q176 A177 L178F107-L174 HydrophobicContact CE2-CD1 4.15Å; F107-L174 HydrophobicContact CZ-CD1 3.71Å; I134-L174 HydrophobicContact CD1-CD1 3.24Å; I134-L174 HydrophobicContact CD1-CD2 4.36Å; I134-L174 HydrophobicContact CD1-CG 4.41Å; W136-L174 HydrophobicContact CH2-CB 4.06Å; W136-L174 HydrophobicContact CH2-CD1 4.48Å; W136-L174 HydrophobicContact CZ2-CB 4.18Å; W136-L174 HydrophobicContact CZ2-CD2 4.32Å; V151-L174 HydrophobicContact CG2-CD1 4.1Å; V151-L174 HydrophobicContact CG2-CD2 3.78Å; V151-L174 HydrophobicContact CG2-CG 4.33Å; I162-L174 HydrophobicContact CD1-CD2 4.39Å; I162-L174 HydrophobicContact CG2-CD2 3.98Å; T170-L174 PolarHBondContact O-N 3.22Å; L171-L174 WeakPolarHBondContact O-CB 3.45Å; L171-L174 PolarHBondContact O-N 3.2Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 2.86Å; L174-A177 PolarHBondContact O-N 2.79Å; L174-L178 HydrophobicContact CD1-CD1 4.37Å; L174-L178 HydrophobicContact CD1-CG 4.4Å; L174-L178 HydrophobicContact CG-CD1 4.25Å; L174-L178 WeakPolarHBondContact O-CG 3.47Å; L174-L178 PolarHBondContact O-N 3.03Å
175C91.4Very high84.5Confident13 Ų1354.8 Ų54.89%0.08829%0.289CS..Hα-helixtrans-58.8-45.3177.9-73.10000111.5L171 P172 A177 L178 V179 I187L171-C175 WeakPolarHBondContact O-CB 3.28Å; L171-C175 PolarHBondContact O-N 2.85Å; L171-C175 PolarHBondContact O-SG 2.86Å; L171-C175 VanDerWaalsContact O-SG 3.34Å; P172-C175 PolarHBondContact O-N 2.87Å; C175-A177 PolarHBondContact O-N 2.99Å; C175-L178 WeakPolarHBondContact O-CB 3.35Å; C175-L178 PolarHBondContact O-N 3.08Å; C175-V179 VanDerWaalsContact O-CG2 3.3Å; C175-V179 WeakPolarHBondContact O-CG2 3.15Å; C175-V179 PolarHBondContact O-N 2.77Å; C175-I187 HydrophobicContact CB-CD1 4.28Å; C175-I187 HydrophobicContact CB-CG2 3.7Å
176Q90.7Very high85.3Confident125 Ų12557 Ų5758%0.58430%0.3SS*.Hα-helixtrans-61.6-43.8175.8-172.2-176.212.500112P172 L173 L174 L178 V179 V180P172-Q176 WeakPolarHBondContact O-CB 3.46Å; P172-Q176 PolarHBondContact O-N 2.93Å; L173-Q176 PolarHBondContact O-N 3.06Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 2.86Å; Q176-L178 VanDerWaalsContact C-N 3.3Å; Q176-L178 PolarHBondContact O-N 2.65Å; Q176-V179 PolarHBondContact O-N 3.12Å; Q176-V180 HydrophobicContact CG-CG2 4.45Å; Q176-V180 WeakPolarHBondContact O-CB 3.24Å; Q176-V180 VanDerWaalsContact O-CG2 3.28Å; Q176-V180 WeakPolarHBondContact O-CG2 3.38Å; Q176-V180 PolarHBondContact O-N 3.23Å
177A92.1Very high86.7Confident3 Ų352.8 Ų52.83%0.02527%0.273CS..Hα-helixtrans-63-37.2177.700000112.3F107 R110 L111 L173 L174 C175 A181F107-A177 HydrophobicContact CD2-CB 4.1Å; F107-A177 HydrophobicContact CE2-CB 3.89Å; R110-A177 HydrophobicContact CB-CB 4.26Å; L111-A177 HydrophobicContact CD1-CB 4.47Å; L111-A177 HydrophobicContact CD2-CB 3.67Å; L111-A177 HydrophobicContact CG-CB 3.73Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.15Å; L174-A177 PolarHBondContact O-N 2.79Å; C175-A177 PolarHBondContact O-N 2.99Å; A177-A181 WeakPolarHBondContact O-CB 3.49Å; A177-A181 PolarHBondContact O-N 3.2Å
178L92.1Very high87.8Confident2 Ų256.2 Ų56.21%0.0128%0.281CS..Hα-helixtrans-64.2-51.7174.6-73166.8000111.3F103 F107 I132 V151 V160 I162 L174 C175 Q176 V180 A181 S182 I187F103-L178 HydrophobicContact CZ-CD2 4.37Å; F107-L178 HydrophobicContact CD2-CD2 4.2Å; F107-L178 HydrophobicContact CE2-CD2 3.59Å; F107-L178 HydrophobicContact CE2-CG 3.82Å; F107-L178 HydrophobicContact CZ-CD2 4.35Å; I132-L178 HydrophobicContact CD1-CD2 4.26Å; V151-L178 HydrophobicContact CG1-CD1 4.17Å; V151-L178 HydrophobicContact CG1-CD2 4.12Å; V160-L178 HydrophobicContact CG1-CD1 3.99Å; I162-L178 HydrophobicContact CD1-CD1 3.88Å; L174-L178 HydrophobicContact CD1-CD1 4.37Å; L174-L178 HydrophobicContact CD1-CG 4.4Å; L174-L178 HydrophobicContact CG-CD1 4.25Å; L174-L178 WeakPolarHBondContact O-CG 3.47Å; L174-L178 PolarHBondContact O-N 3.03Å; C175-L178 WeakPolarHBondContact O-CB 3.35Å; C175-L178 PolarHBondContact O-N 3.08Å; Q176-L178 VanDerWaalsContact C-N 3.3Å; Q176-L178 PolarHBondContact O-N 2.65Å; L178-V180 VanDerWaalsContact C-N 3.34Å; L178-V180 PolarHBondContact O-N 2.71Å; L178-A181 PolarHBondContact O-N 3.23Å; L178-S182 WeakPolarHBondContact O-CB 3.2Å; L178-S182 PolarHBondContact O-N 3.32Å; L178-S182 PolarHBondContact O-OG 2.96Å; L178-I187 HydrophobicContact CD1-CD1 4.5Å
179V91.7Very high88.7Confident16 Ų1650.1 Ų50.110%0.09726%0.26CS..Hα-helixtrans-56-49180169.80000110.9C175 Q176 A181 S182 N183 Y184 I187C175-V179 VanDerWaalsContact O-CG2 3.3Å; C175-V179 WeakPolarHBondContact O-CG2 3.15Å; C175-V179 PolarHBondContact O-N 2.77Å; Q176-V179 PolarHBondContact O-N 3.12Å; V179-A181 PolarHBondContact O-N 3.05Å; V179-S182 PolarHBondContact O-N 3.11Å; V179-N183 PolarHBondContact O-N 2.94Å; V179-N183 VanDerWaalsContact O-N 3.11Å; V179-Y184 WeakPolarHBondContact CG1-O 3.31Å; V179-Y184 PolarHBondContact O-N 3.37Å; V179-I187 HydrophobicContact CG2-CB 3.51Å; V179-I187 HydrophobicContact CG2-CG2 3.41Å; V179-I187 VanDerWaalsContact CG2-CG2 3.41Å
180V89.5Confident89Confident51 Ų5146.8 Ų46.831%0.30923%0.234SC..Hα-helixtrans-68.5-35.7-179.8176.10000112.5R110 Q176 L178R110-V180 HydrophobicContact CG-CG1 4.03Å; Q176-V180 HydrophobicContact CG-CG2 4.45Å; Q176-V180 WeakPolarHBondContact O-CB 3.24Å; Q176-V180 VanDerWaalsContact O-CG2 3.28Å; Q176-V180 WeakPolarHBondContact O-CG2 3.38Å; Q176-V180 PolarHBondContact O-N 3.23Å; L178-V180 VanDerWaalsContact C-N 3.34Å; L178-V180 PolarHBondContact O-N 2.71Å
181A89.4Confident89.4Confident4 Ų449.2 Ų49.23%0.03324%0.244CC..Hα-helixtrans-73.3-30.9179.400000112.8F103 K106 F107 A177 L178 V179F103-A181 HydrophobicContact CD2-CB 3.63Å; F103-A181 WeakPolarHBondContact CD2-O 3.48Å; F103-A181 HydrophobicContact CE2-CB 3.57Å; F103-A181 HydrophobicContact CG-CB 4.46Å; F103-A181 HydrophobicContact CZ-CB 4.37Å; K106-A181 HydrophobicContact CB-CB 4.19Å; F107-A181 HydrophobicContact CB-CB 3.78Å; F107-A181 HydrophobicContact CD2-CB 4.08Å; F107-A181 HydrophobicContact CG-CB 4.46Å; A177-A181 WeakPolarHBondContact O-CB 3.49Å; A177-A181 PolarHBondContact O-N 3.2Å; L178-A181 PolarHBondContact O-N 3.23Å; V179-A181 PolarHBondContact O-N 3.05Å
182S85.3Confident89.5Confident6 Ų647.6 Ų47.64%0.04224%0.236CC..Hα-helixtrans-97.43.4-176.955.70000114.1L178 V179 Y184L178-S182 WeakPolarHBondContact O-CB 3.2Å; L178-S182 PolarHBondContact O-N 3.32Å; L178-S182 PolarHBondContact O-OG 2.96Å; V179-S182 PolarHBondContact O-N 3.11Å; S182-Y184 VanDerWaalsContact C-N 3.27Å; S182-Y184 VanDerWaalsContact CB-CD2 3.49Å; S182-Y184 WeakPolarHBondContact O-CD2 3.2Å; S182-Y184 WeakPolarHBondContact O-CE2 3.25Å; S182-Y184 PolarHBondContact O-N 2.73Å; S182-Y184 WeakPolarHBondContact OG-CD2 3.29Å
183N85.1Confident89.6Confident75 Ų7546.8 Ų46.840%0.40122%0.222SC..THydrogen-bonded Turntrans56.536.1-176.4-56.4-19.9000113.5V179V179-N183 PolarHBondContact O-N 2.94Å; V179-N183 VanDerWaalsContact O-N 3.11Å
184Y87.1Confident89.6Confident32 Ų3244.9 Ų44.913%0.12521%0.212CC..  trans-92.8167.7168.7-72.4-103000109.7M88 K90 P158 V179 S182M88-Y184 HydrophobicContact CB-CD1 3.33Å; M88-Y184 HydrophobicContact CB-CD2 4.23Å; M88-Y184 HydrophobicContact CB-CE1 3.81Å; M88-Y184 HydrophobicContact CB-CG 3.58Å; M88-Y184 HydrophobicContact CE-CD2 3.87Å; M88-Y184 HydrophobicContact CE-CE2 3.74Å; M88-Y184 HydrophobicContact CE-CG 4.35Å; M88-Y184 HydrophobicContact CG-CG 4.48Å; M88-Y184 HydrophobicContact SD-CD2 4.15Å; M88-Y184 HydrophobicContact SD-CG 4.28Å; K90-Y184 HydrophobicContact CB-CD1 4.37Å; K90-Y184 HydrophobicContact CD-CD1 4.24Å; K90-Y184 HydrophobicContact CD-CE1 4.01Å; K90-Y184 HydrophobicContact CG-CD1 3.26Å; K90-Y184 HydrophobicContact CG-CE1 3.36Å; K90-Y184 HydrophobicContact CG-CG 3.92Å; P158-Y184 HydrophobicContact CB-CE1 3.92Å; V179-Y184 WeakPolarHBondContact CG1-O 3.31Å; V179-Y184 PolarHBondContact O-N 3.37Å; S182-Y184 VanDerWaalsContact C-N 3.27Å; S182-Y184 VanDerWaalsContact CB-CD2 3.49Å; S182-Y184 WeakPolarHBondContact O-CD2 3.2Å; S182-Y184 WeakPolarHBondContact O-CE2 3.25Å; S182-Y184 PolarHBondContact O-N 2.73Å; S182-Y184 WeakPolarHBondContact OG-CD2 3.29Å
185H85.6Confident89.6Confident134 Ų13446.9 Ų46.962%0.6222%0.221SC*.SBendtrans-102.2-36.4177.8-70.6-82.2000113.2N89 T91N89-H185 PolarHBondContact O-N 3.4Å; N89-H185 VanDerWaalsContact O-N 3.08Å; T91-H185 WeakPolarHBondContact OG1-CB 3.25Å; T91-H185 PolarHBondContact OG1-CD2 3.35Å
186D89.1Confident89.5Confident59 Ų5947.1 Ų47.132%0.31622%0.223SC..EExtended strand (participates in β ladder)trans-138153.3-174.5-170.820.5000110.8M88 N89 R188M88-D186 CarbonylContact C-O 3.47Å; M88-D186 VanDerWaalsContact CA-O 3.25Å; M88-D186 WeakPolarHBondContact CA-O 3.31Å; N89-D186 HydrophobicContact CB-CB 4.47Å; N89-D186 PolarHBondContact N-O 3.45Å; N89-D186 PolarHBondContact O-N 3.47Å; D186-R188 IonicContact OD2-CZ 2.81Å; D186-R188 IonicContact OD2-NE 3.95Å; D186-R188 PolarHBondContact OD2-NE 3.46Å; D186-R188 IonicContact OD2-NH2 3.31Å; D186-R188 PolarHBondContact OD2-NH2 2.81Å; D186-R188 VanDerWaalsContact OD2-NH2 3.09Å
187I92.3Very high89.5Confident29 Ų2941.3 Ų41.315%0.14920%0.195CC..EExtended strand (participates in β ladder)trans-136.9125.4175.3-177.2166.7000109.9Y86 Q87 M88 C175 L178 V179Y86-I187 HydrophobicContact CD1-CD1 4.29Å; Y86-I187 HydrophobicContact CD1-CG1 4.11Å; Y86-I187 HydrophobicContact CG-CD1 4.3Å; Y86-I187 HydrophobicContact CG-CG1 4.4Å; Q87-I187 CarbonylContact O-C 3.54Å; Q87-I187 WeakPolarHBondContact O-CA 3.19Å; M88-I187 HydrophobicContact CG-CB 4.17Å; M88-I187 HydrophobicContact CG-CD1 3.97Å; M88-I187 HydrophobicContact CG-CG1 3.99Å; M88-I187 HydrophobicContact SD-CD1 4.43Å; C175-I187 HydrophobicContact CB-CD1 4.28Å; C175-I187 HydrophobicContact CB-CG2 3.7Å; L178-I187 HydrophobicContact CD1-CD1 4.5Å; V179-I187 HydrophobicContact CG2-CB 3.51Å; V179-I187 HydrophobicContact CG2-CG2 3.41Å; V179-I187 VanDerWaalsContact CG2-CG2 3.41Å
188R90.8Very high89.4Confident155 Ų15545.3 Ų45.359%0.58522%0.217SC*.EExtended strand (participates in β ladder)trans-122.5136.1-177.5-61.7-174.4-175.5178.90.9111Y86 Q87 D186Y86-R188 CarbonylContact C-O 3.6Å; Y86-R188 VanDerWaalsContact CA-O 3.29Å; Y86-R188 WeakPolarHBondContact CA-O 3.4Å; Q87-R188 PolarHBondContact N-O 3.02Å; Q87-R188 PolarHBondContact O-N 2.6Å; D186-R188 IonicContact OD2-CZ 2.81Å; D186-R188 IonicContact OD2-NE 3.95Å; D186-R188 PolarHBondContact OD2-NE 3.46Å; D186-R188 IonicContact OD2-NH2 3.31Å; D186-R188 PolarHBondContact OD2-NH2 2.81Å; D186-R188 VanDerWaalsContact OD2-NH2 3.09Å
189E90.4Very high89.3Confident68 Ų6845.7 Ų45.732%0.31822%0.219SC..EExtended strand (participates in β ladder)trans-72.1129.1172.2-167.8171.7166.100109.8Y86 E191 R193Y86-E189 HydrophobicContact CD1-CB 3.86Å; Y86-E189 HydrophobicContact CD1-CG 4.27Å; Y86-E189 HydrophobicContact CE1-CB 3.47Å; Y86-E189 VanDerWaalsContact CE1-CB 3.47Å; Y86-E189 HydrophobicContact CE1-CG 3.71Å; Y86-E189 HydrophobicContact CE2-CG 4.33Å; Y86-E189 VanDerWaalsContact OH-CD 3.26Å; Y86-E189 PolarHBondContact OH-OE2 2.61Å; Y86-E189 VanDerWaalsContact OH-OE2 3.04Å; E189-E191 PolarHBondContact O-N 3.42Å; E189-R193 IonicContact OE1-CZ 3.73Å; E189-R193 VanDerWaalsContact OE1-CZ 3.29Å; E189-R193 IonicContact OE1-NE 2.94Å; E189-R193 PolarHBondContact OE1-NE 3.21Å; E189-R193 IonicContact OE1-NH2 3.15Å; E189-R193 PolarHBondContact OE1-NH2 3.07Å; E189-R193 IonicContact OE2-NH2 3.31Å
190M85.8Confident89.3Confident27 Ų2745 Ų4513%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-83.818.4-177.2-68.4-168.174.200114V85 Q87 Y159 L192 A326 R327V85-M190 HydrophobicContact CB-CB 4.19Å; V85-M190 HydrophobicContact CG1-CB 4.22Å; V85-M190 HydrophobicContact CG1-CG 4.21Å; V85-M190 HydrophobicContact CG1-SD 3.71Å; V85-M190 PolarHBondContact O-N 3.39Å; Q87-M190 HydrophobicContact CB-CG 3.84Å; Q87-M190 HydrophobicContact CB-SD 3.83Å; Y159-M190 HydrophobicContact CD1-SD 3.78Å; Y159-M190 HydrophobicContact CE1-CE 4.24Å; Y159-M190 HydrophobicContact CE1-SD 3.58Å; Y159-M190 VanDerWaalsContact CE1-SD 3.58Å; M190-L192 HydrophobicContact CB-CB 4.44Å; M190-L192 PolarHBondContact O-N 2.95Å; M190-A326 HydrophobicContact CE-CB 3.81Å; M190-A326 VanDerWaalsContact O-O 3.09Å; M190-R327 WeakPolarHBondContact O-CG 3.15Å
191E90.3Very high89.3Confident72 Ų7243.8 Ų43.834%0.33621%0.205SC..EExtended strand (participates in β ladder)trans45.827.4-177.4-65.5-177.1143.300113.7E189 R327 N328 Y329E189-E191 PolarHBondContact O-N 3.42Å; E191-R327 HydrophobicContact CB-CG 4.21Å; E191-R327 IonicContact OE2-NH1 3.71Å; E191-R327 PolarHBondContact OE2-NH1 2.77Å; E191-N328 PolarHBondContact O-N 3.07Å; E191-N328 PolarHBondContact O-OD1 3.08Å; E191-N328 VanDerWaalsContact O-OD1 3.07Å; E191-Y329 PolarHBondContact O-N 3.1Å
192L90.2Very high89.2Confident0 Ų046.2 Ų46.20%022%0.218CC..EExtended strand (participates in β ladder)trans-120.7116.4-176-177.863.6000108.9S84 V85 M190 L200 I203 V204 A326 N328S84-L192 WeakPolarHBondContact CA-O 3.15Å; V85-L192 HydrophobicContact CB-CB 4.27Å; V85-L192 HydrophobicContact CB-CD2 4.46Å; V85-L192 HydrophobicContact CG2-CB 4.17Å; V85-L192 HydrophobicContact CG2-CD2 3.84Å; V85-L192 HydrophobicContact CG2-CG 4.05Å; V85-L192 PolarHBondContact N-O 3.49Å; M190-L192 HydrophobicContact CB-CB 4.44Å; M190-L192 PolarHBondContact O-N 2.95Å; L192-L200 HydrophobicContact CD1-CD2 4.1Å; L192-L200 HydrophobicContact CD2-CD2 3.77Å; L192-L200 HydrophobicContact CG-CD2 3.6Å; L192-I203 HydrophobicContact CD2-CG2 3.96Å; L192-V204 HydrophobicContact CD2-CG2 3.94Å; L192-A326 WeakPolarHBondContact CB-O 3.35Å; L192-A326 HydrophobicContact CD2-CB 4.13Å; L192-N328 VanDerWaalsContact CA-OD1 3.27Å; L192-N328 WeakPolarHBondContact CA-OD1 3.42Å; L192-N328 HydrophobicContact CD1-CB 4.15Å
193R91.3Very high89.4Confident69 Ų6946 Ų4626%0.2622%0.217SC..EExtended strand (participates in β ladder)trans-134.9135.2179.7-47.8-173.2178.4159.7-4.2111.7I82 W83 S84 E189 F263 N328 Y329I82-R193 HydrophobicContact CG2-CB 4.1Å; W83-R193 CarbonylContact O-C 3.6Å; W83-R193 WeakPolarHBondContact O-CA 3.4Å; S84-R193 WeakPolarHBondContact OG-CD 3.25Å; S84-R193 WeakPolarHBondContact OG-CG 3.15Å; S84-R193 PolarHBondContact OG-NE 2.99Å; E189-R193 IonicContact OE1-CZ 3.73Å; E189-R193 VanDerWaalsContact OE1-CZ 3.29Å; E189-R193 IonicContact OE1-NE 2.94Å; E189-R193 PolarHBondContact OE1-NE 3.21Å; E189-R193 IonicContact OE1-NH2 3.15Å; E189-R193 PolarHBondContact OE1-NH2 3.07Å; E189-R193 IonicContact OE2-NH2 3.31Å; R193-F263 HydrophobicContact CB-CZ 4.33Å; R193-N328 PolarHBondContact N-OD1 3Å; R193-N328 PolarHBondContact O-ND2 3.42Å; R193-Y329 HydrophobicContact CB-CE2 4Å; R193-Y329 HydrophobicContact CG-CD2 4.27Å; R193-Y329 HydrophobicContact CG-CE2 3.85Å
194S90.9Very high89.5Confident0 Ų042.9 Ų42.90%020%0.2CC..EExtended strand (participates in β ladder)trans-152.7161.3176.4-170.40000110.1W83 C196W83-S194 PolarHBondContact N-O 3Å; W83-S194 PolarHBondContact O-N 3.42Å; S194-C196 PolarHBondContact OG-N 2.87Å
195H90.1Very high89.5Confident44 Ų4443 Ų4320%0.20420%0.201CC..SBendtrans-75.6-34.4167.5-76.4-102.6000111.6N79 R81 I82 L197 E262N79-H195 WeakPolarHBondContact CA-O 3.15Å; N79-H195 PolarHBondContact O-ND1 2.8Å; R81-H195 WeakPolarHBondContact O-CA 3.41Å; I82-H195 WeakPolarHBondContact CG1-NE2 3.33Å; H195-L197 PolarHBondContact O-N 2.99Å; H195-E262 VanDerWaalsContact CB-OE1 3.24Å; H195-E262 WeakPolarHBondContact CB-OE1 3.46Å; H195-E262 IonicContact CD2-OE1 3.37Å; H195-E262 IonicContact CD2-OE2 2.53Å; H195-E262 PolarHBondContact CD2-OE2 3.42Å; H195-E262 IonicContact CG-OE1 3.09Å; H195-E262 IonicContact CG-OE2 3.64Å; H195-E262 IonicContact NE2-OE2 2.78Å
196C90.6Very high89.3Confident19 Ų1942.2 Ų42.213%0.12820%0.196CC..  trans-84.3101-176.9-165.60000112.3N79 S194 N198 S199 L200 K260N79-C196 WeakPolarHBondContact OD1-CA 3.34Å; S194-C196 PolarHBondContact OG-N 2.87Å; C196-N198 VanDerWaalsContact C-N 3.33Å; C196-N198 PolarHBondContact O-N 2.99Å; C196-S199 PolarHBondContact O-N 3.41Å; C196-L200 WeakPolarHBondContact O-CG 3.39Å; C196-L200 PolarHBondContact O-N 2.96Å; C196-L200 VanDerWaalsContact O-N 3.13Å; C196-K260 HydrophobicContact CB-CB 4.36Å
197L90.5Very high88.6Confident2 Ų247.6 Ų47.61%0.0121%0.212CC..Hα-helixtrans-60.5-39.9178.9-178.663.3000112.5P78 W83 W131 V152 F161 H195 L200 K201P78-L197 HydrophobicContact CB-CB 4.1Å; P78-L197 HydrophobicContact CB-CD2 4.49Å; W83-L197 HydrophobicContact CB-CD1 4.43Å; W83-L197 HydrophobicContact CD2-CD1 3.98Å; W83-L197 HydrophobicContact CE3-CD1 4.18Å; W83-L197 HydrophobicContact CG-CB 4.39Å; W83-L197 HydrophobicContact CG-CD1 4.09Å; W83-L197 HydrophobicContact CZ2-CD2 4.33Å; W131-L197 HydrophobicContact CH2-CD2 3.92Å; W131-L197 HydrophobicContact CZ2-CD2 3.8Å; V152-L197 HydrophobicContact CG2-CD2 4.05Å; F161-L197 HydrophobicContact CB-CD1 3.62Å; F161-L197 HydrophobicContact CD1-CD1 3.75Å; F161-L197 HydrophobicContact CD2-CD1 4.25Å; F161-L197 HydrophobicContact CG-CD1 3.6Å; H195-L197 PolarHBondContact O-N 2.99Å; L197-L200 WeakPolarHBondContact O-CB 3.49Å; L197-L200 PolarHBondContact O-N 3.42Å; L197-K201 WeakPolarHBondContact O-CG 3.43Å; L197-K201 PolarHBondContact O-N 2.83Å
198N89.8Confident87.3Confident88 Ų8847 Ų4747%0.47121%0.208SC..Hα-helixtrans-64-45.1-179.8-68-16.6000111.2C196 L200 K201 D202C196-N198 VanDerWaalsContact C-N 3.33Å; C196-N198 PolarHBondContact O-N 2.99Å; N198-L200 VanDerWaalsContact C-N 3.29Å; N198-L200 PolarHBondContact O-N 3.49Å; N198-K201 WeakPolarHBondContact O-CA 3.43Å; N198-K201 WeakPolarHBondContact O-CB 3.46Å; N198-K201 PolarHBondContact O-N 3.38Å; N198-K201 VanDerWaalsContact O-N 3.07Å; N198-D202 PolarHBondContact O-N 3.4Å
199S90Very high85.6Confident9 Ų942.9 Ų42.96%0.06320%0.203CC..Hα-helixtrans-64.8-31.8175.8-62.50000113.3C196 D202 I203 K260C196-S199 PolarHBondContact O-N 3.41Å; S199-D202 PolarHBondContact O-N 2.94Å; S199-I203 VanDerWaalsContact O-CG1 3.25Å; S199-I203 WeakPolarHBondContact O-CG1 3.37Å; S199-I203 PolarHBondContact O-N 2.94Å; S199-K260 WeakPolarHBondContact CB-O 3.5Å; S199-K260 WeakPolarHBondContact OG-CB 3.43Å; S199-K260 PolarHBondContact OG-N 3.27Å
200L90.5Very high83.9Confident1 Ų140.7 Ų40.71%0.00519%0.192CC..Hα-helixtrans-64.9-43.5170.5-68.2177.1000111.8W83 V85 F161 L192 C196 L197 N198 D202 I203 V204W83-L200 HydrophobicContact CB-CD1 3.56Å; V85-L200 HydrophobicContact CG2-CB 4.19Å; V85-L200 HydrophobicContact CG2-CD1 4.09Å; V85-L200 HydrophobicContact CG2-CD2 4.03Å; V85-L200 HydrophobicContact CG2-CG 4.35Å; F161-L200 HydrophobicContact CD1-CB 4.13Å; F161-L200 HydrophobicContact CD1-CD1 4.45Å; F161-L200 HydrophobicContact CE1-CB 3.81Å; L192-L200 HydrophobicContact CD1-CD2 4.1Å; L192-L200 HydrophobicContact CD2-CD2 3.77Å; L192-L200 HydrophobicContact CG-CD2 3.6Å; C196-L200 WeakPolarHBondContact O-CG 3.39Å; C196-L200 PolarHBondContact O-N 2.96Å; C196-L200 VanDerWaalsContact O-N 3.13Å; L197-L200 WeakPolarHBondContact O-CB 3.49Å; L197-L200 PolarHBondContact O-N 3.42Å; N198-L200 VanDerWaalsContact C-N 3.29Å; N198-L200 PolarHBondContact O-N 3.49Å; L200-D202 VanDerWaalsContact C-N 3.3Å; L200-D202 PolarHBondContact O-N 3.21Å; L200-I203 PolarHBondContact O-N 3.46Å; L200-V204 WeakPolarHBondContact O-CB 3.33Å; L200-V204 WeakPolarHBondContact O-CG2 3.12Å; L200-V204 PolarHBondContact O-N 3.35Å
201K89.9Confident81.9Confident26 Ų2644.1 Ų44.111%0.11322%0.215CC..Hα-helixtrans-58.8-45.3173.3-66.5176.9-172.7178.70110.5H154 F161 L197 N198 I203 V204 F205H154-K201 WeakPolarHBondContact NE2-CE 3.34Å; F161-K201 HydrophobicContact CE1-CG 4.41Å; F161-K201 HydrophobicContact CE2-CG 3.99Å; F161-K201 HydrophobicContact CZ-CB 4.4Å; F161-K201 HydrophobicContact CZ-CG 3.81Å; L197-K201 WeakPolarHBondContact O-CG 3.43Å; L197-K201 PolarHBondContact O-N 2.83Å; N198-K201 WeakPolarHBondContact O-CA 3.43Å; N198-K201 WeakPolarHBondContact O-CB 3.46Å; N198-K201 PolarHBondContact O-N 3.38Å; N198-K201 VanDerWaalsContact O-N 3.07Å; K201-I203 PolarHBondContact O-N 3Å; K201-V204 PolarHBondContact O-N 3.21Å; K201-F205 HydrophobicContact CB-CD2 3.91Å; K201-F205 HydrophobicContact CB-CE2 3.87Å; K201-F205 HydrophobicContact CD-CE2 4.4Å; K201-F205 HydrophobicContact CG-CE2 4.05Å; K201-F205 WeakPolarHBondContact O-CB 3.41Å; K201-F205 WeakPolarHBondContact O-CD2 3.32Å; K201-F205 VanDerWaalsContact O-CG 3.25Å; K201-F205 WeakPolarHBondContact O-CG 3.21Å; K201-F205 PolarHBondContact O-N 3.07Å
202D88.8Confident79.9Confident56 Ų5644.9 Ų44.930%0.29922%0.217SC..Hα-helixtrans-60.1-47.9-179.6-61.6-28.6000111.2N198 S199 L200 K206 R207 Y208N198-D202 PolarHBondContact O-N 3.4Å; S199-D202 PolarHBondContact O-N 2.94Å; L200-D202 VanDerWaalsContact C-N 3.3Å; L200-D202 PolarHBondContact O-N 3.21Å; D202-K206 CarbonylContact O-C 3.53Å; D202-K206 VanDerWaalsContact O-CA 3.31Å; D202-K206 WeakPolarHBondContact O-CA 3.35Å; D202-K206 PolarHBondContact O-N 3.35Å; D202-R207 PolarHBondContact O-N 2.91Å; D202-Y208 VanDerWaalsContact O-CD1 3.29Å; D202-Y208 WeakPolarHBondContact O-CD1 3.44Å
203I87.8Confident77.5Confident2 Ų254 Ų541%0.0126%0.26CS..Hα-helixtrans-59.3-49.8178.3-69.4166.1000111L192 S199 L200 K201 K206 P259 A326L192-I203 HydrophobicContact CD2-CG2 3.96Å; S199-I203 VanDerWaalsContact O-CG1 3.25Å; S199-I203 WeakPolarHBondContact O-CG1 3.37Å; S199-I203 PolarHBondContact O-N 2.94Å; L200-I203 PolarHBondContact O-N 3.46Å; K201-I203 PolarHBondContact O-N 3Å; I203-K206 PolarHBondContact O-N 3Å; I203-P259 HydrophobicContact CD1-CB 4.01Å; I203-P259 HydrophobicContact CD1-CG 3.89Å; I203-P259 HydrophobicContact CG1-CB 3.74Å; I203-P259 HydrophobicContact CG1-CG 3.41Å; I203-P259 VanDerWaalsContact CG1-CG 3.41Å; I203-A326 HydrophobicContact CG2-CB 3.81Å
204V88.3Confident74.8Confident8 Ų856.2 Ų56.25%0.04828%0.281CS..Hα-helixtrans-73.6-43-172.1173.20000111.7V85 Y159 F161 L192 L200 K201 K206V85-V204 HydrophobicContact CB-CG2 4.48Å; V85-V204 HydrophobicContact CG1-CG1 4.49Å; V85-V204 HydrophobicContact CG1-CG2 3.69Å; V85-V204 HydrophobicContact CG2-CG2 4.15Å; Y159-V204 HydrophobicContact CD1-CG1 3.31Å; Y159-V204 HydrophobicContact CD2-CG1 3.36Å; Y159-V204 HydrophobicContact CE1-CG1 3.53Å; Y159-V204 HydrophobicContact CE2-CG1 3.56Å; Y159-V204 HydrophobicContact CG-CG1 3.21Å; F161-V204 HydrophobicContact CE1-CG2 4.42Å; L192-V204 HydrophobicContact CD2-CG2 3.94Å; L200-V204 WeakPolarHBondContact O-CB 3.33Å; L200-V204 WeakPolarHBondContact O-CG2 3.12Å; L200-V204 PolarHBondContact O-N 3.35Å; K201-V204 PolarHBondContact O-N 3.21Å; V204-K206 PolarHBondContact O-N 3.36Å
205F86Confident72.1Confident34 Ų3467.2 Ų67.215%0.14933%0.325CS..Hα-helixtrans-80.5-1.9176.8-56.9-26.3000112.8H154 T157 Y159 F161 K201 R207H154-F205 AromaticContact CD2-CZ 3.98Å; T157-F205 HydrophobicContact CG2-CD1 4.27Å; T157-F205 HydrophobicContact CG2-CE1 3.68Å; T157-F205 HydrophobicContact CG2-CZ 4Å; Y159-F205 HydrophobicContact CD2-CD1 4.01Å; Y159-F205 AromaticContact CD2-CE1 3.82Å; Y159-F205 HydrophobicContact CD2-CE1 3.82Å; Y159-F205 HydrophobicContact CE2-CD1 4.49Å; Y159-F205 HydrophobicContact CG-CE1 4.43Å; F161-F205 HydrophobicContact CE2-CZ 4.23Å; F161-F205 HydrophobicContact CZ-CZ 4.4Å; K201-F205 HydrophobicContact CB-CD2 3.91Å; K201-F205 HydrophobicContact CB-CE2 3.87Å; K201-F205 HydrophobicContact CD-CE2 4.4Å; K201-F205 HydrophobicContact CG-CE2 4.05Å; K201-F205 WeakPolarHBondContact O-CB 3.41Å; K201-F205 WeakPolarHBondContact O-CD2 3.32Å; K201-F205 VanDerWaalsContact O-CG 3.25Å; K201-F205 WeakPolarHBondContact O-CG 3.21Å; K201-F205 PolarHBondContact O-N 3.07Å; F205-R207 HydrophobicContact CB-CG 3.75Å; F205-R207 PolarHBondContact O-N 3.38Å
206K82.6Confident69.3Low118 Ų11870.3 Ų70.351%0.51335%0.35SS..THydrogen-bonded Turntrans53.635.9-177-61.9178.7174.6-175.50112.7D202 I203 V204 F212D202-K206 CarbonylContact O-C 3.53Å; D202-K206 VanDerWaalsContact O-CA 3.31Å; D202-K206 WeakPolarHBondContact O-CA 3.35Å; D202-K206 PolarHBondContact O-N 3.35Å; I203-K206 PolarHBondContact O-N 3Å; V204-K206 PolarHBondContact O-N 3.36Å; K206-F212 HydrophobicContact CB-CE2 3.85Å; K206-F212 HydrophobicContact CB-CZ 4.28Å; K206-F212 HydrophobicContact CD-CE1 4.35Å; K206-F212 HydrophobicContact CD-CE2 3.94Å; K206-F212 HydrophobicContact CD-CZ 3.65Å; K206-F212 HydrophobicContact CG-CE2 4.12Å; K206-F212 HydrophobicContact CG-CZ 4.03Å
207R74.3Confident66.6Low173 Ų17375.3 Ų75.365%0.65338%0.382SS*.  trans-87-5.1-179-67.9179.1-175.6-176.50.6113.5D202 F205D202-R207 PolarHBondContact O-N 2.91Å; F205-R207 HydrophobicContact CB-CG 3.75Å; F205-R207 PolarHBondContact O-N 3.38Å
208Y65.7Low64.1Low16 Ų1685.4 Ų85.46%0.06342%0.42CS..SBendtrans-84.3154.317368.1-75.2000110.4D202 Q210 P259 P323D202-Y208 VanDerWaalsContact O-CD1 3.29Å; D202-Y208 WeakPolarHBondContact O-CD1 3.44Å; Y208-Q210 HydrophobicContact CD2-CB 4.29Å; Y208-Q210 HydrophobicContact CE2-CB 3.79Å; Y208-Q210 HydrophobicContact CE2-CG 4.3Å; Y208-Q210 PolarHBondContact O-N 3.23Å; Y208-Q210 PolarHBondContact OH-OE1 3.48Å; Y208-P259 HydrophobicContact CD1-CG 4.33Å; Y208-P259 HydrophobicContact CD2-CG 4.19Å; Y208-P259 HydrophobicContact CG-CG 4.08Å; Y208-P323 HydrophobicContact CE2-CB 4.08Å; Y208-P323 HydrophobicContact CE2-CG 4.48Å; Y208-P323 VanDerWaalsContact OH-C 3.24Å; Y208-P323 VanDerWaalsContact OH-CB 3.23Å; Y208-P323 WeakPolarHBondContact OH-CB 3.32Å; Y208-P323 PolarHBondContact OH-O 3.46Å; Y208-P323 VanDerWaalsContact OH-O 3.06Å
209S55Low61.6Low68 Ų6886.6 Ų86.648%0.47643%0.432SS..SBendtrans-70.550.8-173.1-45.10000113.8T211S209-T211 PolarHBondContact O-N 3.47Å
210Q53.4Low59.4Low22 Ų2294.7 Ų94.710%0.10347%0.474CS..  trans-78.7106.5151.9-135.317016.200104.5Y208 F212 V252Y208-Q210 HydrophobicContact CD2-CB 4.29Å; Y208-Q210 HydrophobicContact CE2-CB 3.79Å; Y208-Q210 HydrophobicContact CE2-CG 4.3Å; Y208-Q210 PolarHBondContact O-N 3.23Å; Y208-Q210 PolarHBondContact OH-OE1 3.48Å; Q210-F212 HydrophobicContact CB-CD2 4.4Å; Q210-F212 HydrophobicContact CB-CE2 4.08Å; Q210-F212 HydrophobicContact CB-CZ 4.47Å; Q210-F212 WeakPolarHBondContact O-CD2 3.16Å; Q210-F212 PolarHBondContact O-N 2.72Å; Q210-V252 PolarHBondContact NE2-O 2.95Å
211T43.7Very low56.9Low99 Ų99103.1 Ų103.161%0.60751%0.513SS*.  trans-55.982159.127.60000107.3S209 Q213S209-T211 PolarHBondContact O-N 3.47Å; T211-Q213 PolarHBondContact O-N 3.34Å; T211-Q213 VanDerWaalsContact O-N 3.13Å
212F47.8Very low54.4Low88 Ų88109.6 Ų109.639%0.38654%0.544SS..  trans-53122.1156.3-70.6-80.3000104K206 Q210 T214K206-F212 HydrophobicContact CB-CE2 3.85Å; K206-F212 HydrophobicContact CB-CZ 4.28Å; K206-F212 HydrophobicContact CD-CE1 4.35Å; K206-F212 HydrophobicContact CD-CE2 3.94Å; K206-F212 HydrophobicContact CD-CZ 3.65Å; K206-F212 HydrophobicContact CG-CE2 4.12Å; K206-F212 HydrophobicContact CG-CZ 4.03Å; Q210-F212 HydrophobicContact CB-CD2 4.4Å; Q210-F212 HydrophobicContact CB-CE2 4.08Å; Q210-F212 HydrophobicContact CB-CZ 4.47Å; Q210-F212 WeakPolarHBondContact O-CD2 3.16Å; Q210-F212 PolarHBondContact O-N 2.72Å; F212-T214 PolarHBondContact O-N 3.46Å; F212-T214 PolarHBondContact O-OG1 3.37Å
213Q41Very low51.9Low193 Ų193116.4 Ų116.490%0.90257%0.565SS**  trans-63.574.7175.1-72.1173.2-24.100109.1T211T211-Q213 PolarHBondContact O-N 3.34Å; T211-Q213 VanDerWaalsContact O-N 3.13Å
214T33.7Very low49.7Very low115 Ų115123 Ų12371%0.70660%0.601SS**  trans-99.193.3155.115.30000105.3F212 C216F212-T214 PolarHBondContact O-N 3.46Å; F212-T214 PolarHBondContact O-OG1 3.37Å; T214-C216 VanDerWaalsContact C-N 3.29Å; T214-C216 PolarHBondContact O-N 3.12Å
215Y35.5Very low47.5Very low231 Ų231127.4 Ų127.491%0.90663%0.628SS**SBendtrans9.269.3152.3-81.2-95.7000115.9
216C30.2Very low45.3Very low109 Ų109129.6 Ų129.674%0.73665%0.652SS**  trans-12894161.6-82.10000104.5T214 R218T214-C216 VanDerWaalsContact C-N 3.29Å; T214-C216 PolarHBondContact O-N 3.12Å; C216-R218 VanDerWaalsContact C-N 3.34Å; C216-R218 PolarHBondContact O-N 2.84Å
217P34.9Very low43.6Very low123 Ų123129.7 Ų129.780%0.79966%0.664SS**  trans-63.3104.9171.727-28.8000105.8
218R37.1Very low42.6Very low215 Ų215129.3 Ų129.381%0.81167%0.67SS**  trans-58.2130.8157.4-73.6-174.1-178.4-1760.9105.1C216 L220C216-R218 VanDerWaalsContact C-N 3.34Å; C216-R218 PolarHBondContact O-N 2.84Å; R218-L220 PolarHBondContact O-N 3.14Å
219P37.4Very low42Very low113 Ų113134.6 Ų134.673%0.73471%0.71SS**  trans-50.4135.2168.8-1727.5000106.5Q221P219-Q221 PolarHBondContact O-N 2.83Å
220L43.1Very low42.1Very low178 Ų178136 Ų13693%0.93272%0.715SS**  trans-58.582.5169.7-72161.7000107.4R218 E222R218-L220 PolarHBondContact O-N 3.14Å; L220-E222 VanDerWaalsContact C-N 3.32Å; L220-E222 PolarHBondContact O-N 2.97Å; L220-E222 VanDerWaalsContact O-N 3.08Å
221Q38.3Very low42.3Very low178 Ų178138.6 Ų138.683%0.83273%0.729SS**  trans-67.6106158.2-89-177.2-7.700103.8P219 R223P219-Q221 PolarHBondContact O-N 2.83Å; Q221-R223 PolarHBondContact O-N 2.74Å
222E37.5Very low43Very low163 Ų163142.2 Ų142.276%0.76274%0.744SS**  trans-42.3100157-81.4177.5150.400107.1L220 N224L220-E222 VanDerWaalsContact C-N 3.32Å; L220-E222 PolarHBondContact O-N 2.97Å; L220-E222 VanDerWaalsContact O-N 3.08Å; E222-N224 PolarHBondContact O-N 2.85Å
223R37.5Very low44Very low198 Ų198147.6 Ų147.675%0.74776%0.762SS**  trans-70.490.4167.9-167.1180-170173.41.3103.7Q221 V225Q221-R223 PolarHBondContact O-N 2.74Å; R223-V225 HydrophobicContact CB-CG2 4.46Å; R223-V225 HydrophobicContact CG-CG2 3.86Å; R223-V225 PolarHBondContact O-N 3.05Å
224N40.4Very low45.2Very low142 Ų142143.9 Ų143.976%0.75975%0.747SS**  trans-60.280162.1-71.2-40.5000106.6E222 A226E222-N224 PolarHBondContact O-N 2.85Å; N224-A226 VanDerWaalsContact C-N 3.28Å; N224-A226 PolarHBondContact O-N 3.28Å
225V42Very low46.7Very low100 Ų100145.4 Ų145.461%0.60675%0.749SS**  trans-67.3100.7162.8-179.10000103.2R223 P227R223-V225 HydrophobicContact CB-CG2 4.46Å; R223-V225 HydrophobicContact CG-CG2 3.86Å; R223-V225 PolarHBondContact O-N 3.05Å; V225-P227 VanDerWaalsContact O-N 3.14Å
226A40.8Very low48.1Very low79 Ų79139.4 Ų139.465%0.65373%0.729SS**PPolyproline II helixtrans-48.1124.2163.900000106.2N224 E228N224-A226 VanDerWaalsContact C-N 3.28Å; N224-A226 PolarHBondContact O-N 3.28Å; A226-E228 PolarHBondContact O-N 3.19Å
227P47.1Very low50Low120 Ų120142.5 Ų142.578%0.77973%0.733SS**PPolyproline II helixtrans-57.8117.6-179.821.8-29.5000106.8V225 S229V225-P227 VanDerWaalsContact O-N 3.14Å; P227-S229 PolarHBondContact O-N 3.29Å
228E51.8Low51.9Low165 Ų165141.7 Ų141.777%0.77172%0.722SS**PPolyproline II helixtrans-47.2135.2164.1-71.3178.8165.600106.5A226 V230A226-E228 PolarHBondContact O-N 3.19Å; E228-V230 VanDerWaalsContact C-N 3.25Å; E228-V230 WeakPolarHBondContact O-CG2 3.49Å; E228-V230 PolarHBondContact O-N 3.37Å
229S52.7Low54Low128 Ų128138.5 Ų138.590%0.89571%0.71SS**  trans-62.988.3-17664.10000109.9P227P227-S229 PolarHBondContact O-N 3.29Å
230V57Low56.1Low96 Ų96139.3 Ų139.358%0.58271%0.708SS**  trans-80.8119.5174.7-166.30000106.5E228 L232E228-V230 VanDerWaalsContact C-N 3.25Å; E228-V230 WeakPolarHBondContact O-CG2 3.49Å; E228-V230 PolarHBondContact O-N 3.37Å; V230-L232 PolarHBondContact O-N 3.35Å
231D58.1Low58Low77 Ų77134.6 Ų134.641%0.41268%0.682SS.*  trans-52.6117.5167.6-168.9-22.4000107.4R233 I234D231-R233 PolarHBondContact O-N 3.26Å; D231-R233 IonicContact OD1-CZ 3.8Å; D231-R233 PolarHBondContact OD1-N 3.15Å; D231-R233 IonicContact OD1-NE 3.04Å; D231-R233 PolarHBondContact OD1-NE 3.38Å; D231-R233 IonicContact OD1-NH2 3.29Å; D231-R233 PolarHBondContact OD1-NH2 2.85Å; D231-R233 IonicContact OD2-CZ 3.42Å; D231-R233 IonicContact OD2-NE 3.77Å; D231-R233 IonicContact OD2-NH2 3.25Å; D231-R233 PolarHBondContact OD2-NH2 3.03Å; D231-I234 HydrophobicContact CB-CD1 4.26Å; D231-I234 HydrophobicContact CB-CG1 4.43Å; D231-I234 PolarHBondContact O-N 3.02Å
232L59.8Low60.2Low175 Ų175130.8 Ų130.892%0.91666%0.662SS**THydrogen-bonded Turntrans-60.4-8.3-171.7-69.5167.1000113.3V230V230-L232 PolarHBondContact O-N 3.35Å
233R68.2Low62.5Low202 Ų202126.7 Ų126.776%0.76264%0.643SS**THydrogen-bonded Turntrans-84.8-10.9176.1-66176.3-72.5-171.82.8114D231D231-R233 PolarHBondContact O-N 3.26Å; D231-R233 IonicContact OD1-CZ 3.8Å; D231-R233 PolarHBondContact OD1-N 3.15Å; D231-R233 IonicContact OD1-NE 3.04Å; D231-R233 PolarHBondContact OD1-NE 3.38Å; D231-R233 IonicContact OD1-NH2 3.29Å; D231-R233 PolarHBondContact OD1-NH2 2.85Å; D231-R233 IonicContact OD2-CZ 3.42Å; D231-R233 IonicContact OD2-NE 3.77Å; D231-R233 IonicContact OD2-NH2 3.25Å; D231-R233 PolarHBondContact OD2-NH2 3.03Å
234I65.9Low64.9Low114 Ų114121.7 Ų121.759%0.58562%0.624SS**  trans-98.3102.8-179.4-57.3176.2000109.4D231 Q236D231-I234 HydrophobicContact CB-CD1 4.26Å; D231-I234 HydrophobicContact CB-CG1 4.43Å; D231-I234 PolarHBondContact O-N 3.02Å; I234-Q236 PolarHBondContact O-N 3.24Å
235I64.9Low67.1Low147 Ų147116 Ų11675%0.75459%0.594SS**  trans-79.1115.3171.8-58.2173.8000108.2E237I235-E237 HydrophobicContact CG2-CG 4.25Å; I235-E237 PolarHBondContact O-N 2.89Å
236Q64.5Low69.1Low105 Ų105115.6 Ų115.649%0.49159%0.585SS.*  trans-88.384.6175-159.5173.143.200109.9I234 N238 R239I234-Q236 PolarHBondContact O-N 3.24Å; Q236-N238 PolarHBondContact O-N 2.75Å; Q236-N238 VanDerWaalsContact O-N 3.15Å; Q236-R239 WeakPolarHBondContact O-CB 3.33Å; Q236-R239 PolarHBondContact O-N 3.43Å; Q236-R239 VanDerWaalsContact O-N 3.14Å
237E70.1Confident71.3Confident174 Ų174119.1 Ų119.181%0.81358%0.581SS**THydrogen-bonded Turntrans-54.4-35-175.9-64.7-178.6163.400113.3I235 R239I235-E237 HydrophobicContact CG2-CG 4.25Å; I235-E237 PolarHBondContact O-N 2.89Å; E237-R239 PolarHBondContact O-N 2.82Å
238N75.7Confident73.2Confident106 Ų106114.7 Ų114.757%0.56755%0.552SS**THydrogen-bonded Turntrans-95.423.8-177.2-71.7-28.9000114.3Q236 N240 E241 K242Q236-N238 PolarHBondContact O-N 2.75Å; Q236-N238 VanDerWaalsContact O-N 3.15Å; N238-N240 PolarHBondContact O-N 3.13Å; N238-E241 PolarHBondContact O-N 2.74Å; N238-K242 WeakPolarHBondContact O-CB 3.1Å; N238-K242 WeakPolarHBondContact O-CG 3.38Å; N238-K242 PolarHBondContact O-N 3.45Å
239R81Confident74.7Confident149 Ų149107.7 Ų107.756%0.56252%0.52SS*.Hα-helixtrans-57.3-48.8-178.3-176.7176.6174.91702.4112.5Q236 E237 E241 K242 E243Q236-R239 WeakPolarHBondContact O-CB 3.33Å; Q236-R239 PolarHBondContact O-N 3.43Å; Q236-R239 VanDerWaalsContact O-N 3.14Å; E237-R239 PolarHBondContact O-N 2.82Å; R239-E241 VanDerWaalsContact C-N 3.32Å; R239-E241 PolarHBondContact O-N 3.22Å; R239-K242 PolarHBondContact O-N 2.99Å; R239-E243 HydrophobicContact CG-CG 4.49Å; R239-E243 WeakPolarHBondContact CG-OE1 3.39Å; R239-E243 IonicContact CZ-OE1 3.64Å; R239-E243 IonicContact NE-OE1 3.7Å; R239-E243 PolarHBondContact NE-OE1 2.68Å; R239-E243 IonicContact NH2-OE1 2.81Å; R239-E243 WeakPolarHBondContact O-CG 3.35Å; R239-E243 PolarHBondContact O-N 3.23Å
240N81.9Confident76.2Confident130 Ų130107.2 Ų107.270%0.69550%0.499SS*.Hα-helixtrans-62.1-40.4-178.8-66.5-12.1000112.1N238 E243 R244N238-N240 PolarHBondContact O-N 3.13Å; N240-E243 PolarHBondContact O-N 2.83Å; N240-R244 WeakPolarHBondContact O-CB 3.32Å; N240-R244 PolarHBondContact O-N 3.39Å
241E82.7Confident77.5Confident79 Ų79109.4 Ų109.437%0.36950%0.503SS..Hα-helixtrans-70.6-40.4178.5-178.655.7-160.100111.6N238 R239 E243 R244 I245N238-E241 PolarHBondContact O-N 2.74Å; R239-E241 VanDerWaalsContact C-N 3.32Å; R239-E241 PolarHBondContact O-N 3.22Å; E241-E243 VanDerWaalsContact C-N 3.34Å; E241-E243 PolarHBondContact O-N 3.29Å; E241-R244 WeakPolarHBondContact O-CB 3.36Å; E241-R244 PolarHBondContact O-N 2.75Å; E241-R244 IonicContact OE1-CZ 3.6Å; E241-R244 VanDerWaalsContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NE 3.98Å; E241-R244 PolarHBondContact OE1-NE 2.97Å; E241-R244 VanDerWaalsContact OE1-NE 3.15Å; E241-R244 IonicContact OE1-NH2 2.72Å; E241-R244 PolarHBondContact OE1-NH2 2.92Å; E241-R244 IonicContact OE2-CZ 2.65Å; E241-R244 IonicContact OE2-NE 3.02Å; E241-R244 PolarHBondContact OE2-NE 2.79Å; E241-R244 IonicContact OE2-NH2 2.75Å; E241-I245 HydrophobicContact CG-CD1 4.01Å; E241-I245 VanDerWaalsContact O-CG1 3.27Å; E241-I245 WeakPolarHBondContact O-CG1 3.18Å; E241-I245 PolarHBondContact O-N 3.11Å
242K84.1Confident78.6Confident97 Ų97107.6 Ų107.642%0.42249%0.494SS..Hα-helixtrans-60.9-42.6172.9-74.3-178-178.9-173.10111.8N238 R239 I245 Q246N238-K242 WeakPolarHBondContact O-CB 3.1Å; N238-K242 WeakPolarHBondContact O-CG 3.38Å; N238-K242 PolarHBondContact O-N 3.45Å; R239-K242 PolarHBondContact O-N 2.99Å; K242-I245 PolarHBondContact O-N 3.45Å; K242-Q246 WeakPolarHBondContact O-CB 3.29Å; K242-Q246 VanDerWaalsContact O-CG 3.28Å; K242-Q246 WeakPolarHBondContact O-CG 3.09Å; K242-Q246 PolarHBondContact O-N 3.15Å
243E85.9Confident79.5Confident78 Ų7899.4 Ų99.436%0.36445%0.451SS..Hα-helixtrans-64.3-40.1175.8-73176.3-170.300111.6R239 N240 E241 Q246 R247R239-E243 HydrophobicContact CG-CG 4.49Å; R239-E243 WeakPolarHBondContact CG-OE1 3.39Å; R239-E243 IonicContact CZ-OE1 3.64Å; R239-E243 IonicContact NE-OE1 3.7Å; R239-E243 PolarHBondContact NE-OE1 2.68Å; R239-E243 IonicContact NH2-OE1 2.81Å; R239-E243 WeakPolarHBondContact O-CG 3.35Å; R239-E243 PolarHBondContact O-N 3.23Å; N240-E243 PolarHBondContact O-N 2.83Å; E241-E243 VanDerWaalsContact C-N 3.34Å; E241-E243 PolarHBondContact O-N 3.29Å; E243-Q246 PolarHBondContact O-N 2.97Å; E243-R247 WeakPolarHBondContact O-CB 3.14Å; E243-R247 PolarHBondContact O-N 3.42Å
244R88.3Confident80.1Confident92 Ų9289.8 Ų89.835%0.34742%0.415SS..Hα-helixtrans-60.7-50.4173.6-169.8-167.373.983.1-0.7111.5N240 E241 Q246 R247 V248 A313N240-R244 WeakPolarHBondContact O-CB 3.32Å; N240-R244 PolarHBondContact O-N 3.39Å; E241-R244 WeakPolarHBondContact O-CB 3.36Å; E241-R244 PolarHBondContact O-N 2.75Å; E241-R244 IonicContact OE1-CZ 3.6Å; E241-R244 VanDerWaalsContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NE 3.98Å; E241-R244 PolarHBondContact OE1-NE 2.97Å; E241-R244 VanDerWaalsContact OE1-NE 3.15Å; E241-R244 IonicContact OE1-NH2 2.72Å; E241-R244 PolarHBondContact OE1-NH2 2.92Å; E241-R244 IonicContact OE2-CZ 2.65Å; E241-R244 IonicContact OE2-NE 3.02Å; E241-R244 PolarHBondContact OE2-NE 2.79Å; E241-R244 IonicContact OE2-NH2 2.75Å; R244-Q246 VanDerWaalsContact C-N 3.33Å; R244-Q246 PolarHBondContact O-N 2.91Å; R244-R247 PolarHBondContact O-N 3.45Å; R244-V248 WeakPolarHBondContact O-CG2 3.49Å; R244-V248 PolarHBondContact O-N 3.25Å; R244-A313 PolarHBondContact NH2-O 3.02Å
245I86.1Confident80.7Confident24 Ų2489.7 Ų89.712%0.12342%0.416CS..Hα-helixtrans-59.4-45.1178.5-68.8167.6000110.4E241 K242 R247 V248 N249 A306 P307 A313E241-I245 HydrophobicContact CG-CD1 4.01Å; E241-I245 VanDerWaalsContact O-CG1 3.27Å; E241-I245 WeakPolarHBondContact O-CG1 3.18Å; E241-I245 PolarHBondContact O-N 3.11Å; K242-I245 PolarHBondContact O-N 3.45Å; I245-R247 VanDerWaalsContact C-N 3.35Å; I245-R247 PolarHBondContact O-N 3.27Å; I245-V248 PolarHBondContact O-N 3.14Å; I245-N249 WeakPolarHBondContact O-CB 2.99Å; I245-N249 PolarHBondContact O-N 3.46Å; I245-A306 HydrophobicContact CG2-CB 3.93Å; I245-P307 HydrophobicContact CG2-CG 4.47Å; I245-A313 HydrophobicContact CB-CB 4.36Å; I245-A313 HydrophobicContact CG1-CB 3.87Å; I245-A313 HydrophobicContact CG2-CB 4.14Å
246Q85.5Confident81.3Confident91 Ų9183.3 Ų83.343%0.42539%0.386SS..Hα-helixtrans-61.5-41.6177.7-76-177.615.200112.3K242 E243 R244 N249 R250K242-Q246 WeakPolarHBondContact O-CB 3.29Å; K242-Q246 VanDerWaalsContact O-CG 3.28Å; K242-Q246 WeakPolarHBondContact O-CG 3.09Å; K242-Q246 PolarHBondContact O-N 3.15Å; E243-Q246 PolarHBondContact O-N 2.97Å; R244-Q246 VanDerWaalsContact C-N 3.33Å; R244-Q246 PolarHBondContact O-N 2.91Å; Q246-N249 PolarHBondContact O-N 3.45Å; Q246-R250 VanDerWaalsContact O-CG 3.29Å; Q246-R250 WeakPolarHBondContact O-CG 3.45Å; Q246-R250 PolarHBondContact O-N 3.43Å
247R86.1Confident82.2Confident152 Ų15283 Ų8357%0.57439%0.393SS*.Hα-helixtrans-61.1-52177.8-169.8-174.4-57.3148.84.8111.4E243 R244 I245 N249 R250 E251E243-R247 WeakPolarHBondContact O-CB 3.14Å; E243-R247 PolarHBondContact O-N 3.42Å; R244-R247 PolarHBondContact O-N 3.45Å; I245-R247 VanDerWaalsContact C-N 3.35Å; I245-R247 PolarHBondContact O-N 3.27Å; R247-N249 VanDerWaalsContact C-N 3.29Å; R247-N249 PolarHBondContact O-N 2.92Å; R247-R250 PolarHBondContact O-N 3.39Å; R247-E251 WeakPolarHBondContact O-CG 3.27Å; R247-E251 PolarHBondContact O-N 2.76Å
248V86.1Confident83Confident28 Ų2875.1 Ų75.117%0.1736%0.356CS..Hα-helixtrans-60.2-41.2178.41740000111.1R244 I245 R250 E251 V252 P314R244-V248 WeakPolarHBondContact O-CG2 3.49Å; R244-V248 PolarHBondContact O-N 3.25Å; I245-V248 PolarHBondContact O-N 3.14Å; V248-R250 VanDerWaalsContact C-N 3.35Å; V248-R250 PolarHBondContact O-N 2.99Å; V248-E251 PolarHBondContact O-N 3.41Å; V248-V252 HydrophobicContact CG1-CG2 4.5Å; V248-V252 VanDerWaalsContact O-CG2 3.31Å; V248-V252 WeakPolarHBondContact O-CG2 3.28Å; V248-V252 PolarHBondContact O-N 2.91Å; V248-V252 VanDerWaalsContact O-N 3.07Å; V248-P314 HydrophobicContact CG1-CB 3.86Å
249N84.8Confident83.7Confident18 Ų1870.3 Ų70.310%0.09633%0.331CS..Hα-helixtrans-65.3-38.3179.5-16437.3000112.4I245 Q246 R247 V252 F253 K303 P307I245-N249 WeakPolarHBondContact O-CB 2.99Å; I245-N249 PolarHBondContact O-N 3.46Å; Q246-N249 PolarHBondContact O-N 3.45Å; R247-N249 VanDerWaalsContact C-N 3.29Å; R247-N249 PolarHBondContact O-N 2.92Å; N249-V252 PolarHBondContact O-N 3.45Å; N249-F253 PolarHBondContact O-N 2.99Å; N249-F253 WeakPolarHBondContact OD1-CD2 3.43Å; N249-K303 PolarHBondContact ND2-O 2.92Å; N249-K303 PolarHBondContact OD1-O 3.45Å; N249-P307 WeakPolarHBondContact ND2-CG 3.45Å
250R84.1Confident84Confident118 Ų11869 Ų6945%0.44533%0.329SS..Hα-helixtrans-67.7-39173.8-71.5177.3-170.51738.6112.1Q246 R247 V248 V252 G254 D255Q246-R250 VanDerWaalsContact O-CG 3.29Å; Q246-R250 WeakPolarHBondContact O-CG 3.45Å; Q246-R250 PolarHBondContact O-N 3.43Å; R247-R250 PolarHBondContact O-N 3.39Å; V248-R250 VanDerWaalsContact C-N 3.35Å; V248-R250 PolarHBondContact O-N 2.99Å; R250-V252 VanDerWaalsContact C-N 3.29Å; R250-V252 PolarHBondContact O-N 3.46Å; R250-G254 WeakPolarHBondContact O-CA 3.41Å; R250-G254 PolarHBondContact O-N 3.19Å; R250-D255 WeakPolarHBondContact CD-OD1 3.18Å; R250-D255 VanDerWaalsContact CG-OD1 3.25Å; R250-D255 WeakPolarHBondContact CG-OD1 3.22Å; R250-D255 IonicContact NE-OD1 3.81Å
251E83.3Confident84.5Confident142 Ų14262.8 Ų62.866%0.66430%0.296SS*.Hα-helixtrans-62.2-38.3175.9-72.8169.6-170.200112R247 V248R247-E251 WeakPolarHBondContact O-CG 3.27Å; R247-E251 PolarHBondContact O-N 2.76Å; V248-E251 PolarHBondContact O-N 3.41Å
252V81.1Confident84.8Confident38 Ų3862.2 Ų62.223%0.2329%0.294CS..Hα-helixtrans-81.2-50.4-175.8173.20000112.8Q210 V248 N249 R250 T320Q210-V252 PolarHBondContact NE2-O 2.95Å; V248-V252 HydrophobicContact CG1-CG2 4.5Å; V248-V252 VanDerWaalsContact O-CG2 3.31Å; V248-V252 WeakPolarHBondContact O-CG2 3.28Å; V248-V252 PolarHBondContact O-N 2.91Å; V248-V252 VanDerWaalsContact O-N 3.07Å; N249-V252 PolarHBondContact O-N 3.45Å; R250-V252 VanDerWaalsContact C-N 3.29Å; R250-V252 PolarHBondContact O-N 3.46Å; V252-T320 HydrophobicContact CG1-CG2 3.44Å; V252-T320 VanDerWaalsContact CG1-CG2 3.44Å
253F79.9Confident85.1Confident3 Ų358.5 Ų58.51%0.01328%0.277CS..Hα-helixtrans-98.1-18.4-174.5-67.3-83.7000113.4N249 Q258 L302 K303 L315 T320N249-F253 PolarHBondContact O-N 2.99Å; N249-F253 WeakPolarHBondContact OD1-CD2 3.43Å; F253-Q258 HydrophobicContact CD1-CG 4.5Å; F253-Q258 PolarHBondContact O-NE2 3.34Å; F253-L302 HydrophobicContact CE1-CB 4.43Å; F253-L302 HydrophobicContact CZ-CB 4.15Å; F253-K303 HydrophobicContact CB-CB 4.48Å; F253-K303 HydrophobicContact CB-CD 4.03Å; F253-K303 HydrophobicContact CB-CG 4.07Å; F253-K303 HydrophobicContact CD1-CB 4.3Å; F253-K303 HydrophobicContact CD2-CB 4.14Å; F253-K303 HydrophobicContact CD2-CG 4.17Å; F253-K303 HydrophobicContact CE2-CB 4.44Å; F253-K303 HydrophobicContact CG-CB 4.05Å; F253-K303 HydrophobicContact CG-CD 4.5Å; F253-K303 HydrophobicContact CG-CG 4.11Å; F253-L315 HydrophobicContact CE2-CD1 3.97Å; F253-L315 HydrophobicContact CZ-CD1 4.12Å; F253-T320 HydrophobicContact CE2-CG2 4.26Å; F253-T320 HydrophobicContact CZ-CG2 3.99Å
254G80.6Confident85.4Confident1 Ų154.8 Ų54.81%0.0126%0.26CS..  trans81.2173.2-170.100000113.2R250R250-G254 WeakPolarHBondContact O-CA 3.41Å; R250-G254 PolarHBondContact O-N 3.19Å
255D77.6Confident85.5Confident112 Ų11252.5 Ų52.560%0.59925%0.253SS*.SBendtrans-82.2-20.8-178.1-72.3-37.6000113.4R250R250-D255 WeakPolarHBondContact CD-OD1 3.18Å; R250-D255 VanDerWaalsContact CG-OD1 3.25Å; R250-D255 WeakPolarHBondContact CG-OD1 3.22Å; R250-D255 IonicContact NE-OD1 3.81Å
256G78.6Confident85.7Confident12 Ų1251.8 Ų51.812%0.12425%0.249CC..SBendtrans-81.9172-175.600000115Q258 K303G256-Q258 PolarHBondContact O-NE2 3.06Å; G256-K303 PolarHBondContact O-NZ 3.02Å; G256-K303 VanDerWaalsContact O-NZ 3.11Å
257P83.8Confident85.8Confident99 Ų9951.4 Ų51.464%0.64325%0.246SC*.PPolyproline II helixtrans-64.2139.8172.428.3-34.2000110.2
258Q86.9Confident85.9Confident8 Ų846.3 Ų46.34%0.03723%0.23CC..PPolyproline II helixtrans-81154177.8-62.4-57.2-63.700111.7F253 G256 H297 L299 E300 K303F253-Q258 HydrophobicContact CD1-CG 4.5Å; F253-Q258 PolarHBondContact O-NE2 3.34Å; G256-Q258 PolarHBondContact O-NE2 3.06Å; Q258-H297 PolarHBondContact O-CE1 2.83Å; Q258-H297 PolarHBondContact O-NE2 2.83Å; Q258-L299 HydrophobicContact CB-CB 3.69Å; Q258-L299 HydrophobicContact CG-CB 4.22Å; Q258-E300 WeakPolarHBondContact CB-OE2 3.42Å; Q258-E300 WeakPolarHBondContact CG-OE2 3.5Å; Q258-E300 PolarHBondContact N-OE2 2.93Å; Q258-K303 HydrophobicContact CG-CD 4.18Å
259P88.8Confident85.8Confident6 Ų646.4 Ų46.44%0.03923%0.228CC..PPolyproline II helixtrans-65146.6172.821.5-26.5000111.3I203 Y208 L261 H297 L299I203-P259 HydrophobicContact CD1-CB 4.01Å; I203-P259 HydrophobicContact CD1-CG 3.89Å; I203-P259 HydrophobicContact CG1-CB 3.74Å; I203-P259 HydrophobicContact CG1-CG 3.41Å; I203-P259 VanDerWaalsContact CG1-CG 3.41Å; Y208-P259 HydrophobicContact CD1-CG 4.33Å; Y208-P259 HydrophobicContact CD2-CG 4.19Å; Y208-P259 HydrophobicContact CG-CG 4.08Å; P259-L261 PolarHBondContact O-N 2.99Å; P259-H297 PolarHBondContact O-CE1 3.46Å; P259-H297 VanDerWaalsContact O-CE1 3.29Å; P259-L299 HydrophobicContact CG-CD1 3.79Å
260K89.3Confident85.5Confident121 Ų12147.4 Ų47.453%0.52624%0.235SC..PPolyproline II helixtrans-74.5120.2179.9-63.9-173.9-179.5-178.70110.4C196 S199C196-K260 HydrophobicContact CB-CB 4.36Å; S199-K260 WeakPolarHBondContact CB-O 3.5Å; S199-K260 WeakPolarHBondContact OG-CB 3.43Å; S199-K260 PolarHBondContact OG-N 3.27Å
261L90.9Very high85.1Confident0 Ų045 Ų450%023%0.23CC..  trans-134.8131.6174.7-172.668.5000108.3P259 L298 L299 I322 N328P259-L261 PolarHBondContact O-N 2.99Å; L261-L298 HydrophobicContact CD2-CD2 4.4Å; L261-L298 WeakPolarHBondContact O-CB 3.33Å; L261-L298 PolarHBondContact O-N 2.87Å; L261-L299 HydrophobicContact CB-CD1 4.48Å; L261-L299 HydrophobicContact CB-CG 4.28Å; L261-I322 HydrophobicContact CD2-CG2 3.62Å; L261-N328 HydrophobicContact CD1-CB 4.36Å; L261-N328 HydrophobicContact CD2-CB 3.94Å
262E89.4Confident84.4Confident67 Ų6744.4 Ų44.431%0.31323%0.225SC..  trans-88.3-29.7-172.6-67.8-179.7-178.400113.4H195 S294 S295H195-E262 VanDerWaalsContact CB-OE1 3.24Å; H195-E262 WeakPolarHBondContact CB-OE1 3.46Å; H195-E262 IonicContact CD2-OE1 3.37Å; H195-E262 IonicContact CD2-OE2 2.53Å; H195-E262 PolarHBondContact CD2-OE2 3.42Å; H195-E262 IonicContact CG-OE1 3.09Å; H195-E262 IonicContact CG-OE2 3.64Å; H195-E262 IonicContact NE2-OE2 2.78Å; E262-S294 CarbonylContact O-C 3.54Å; E262-S294 WeakPolarHBondContact O-CA 3.33Å; E262-S295 CarbonylContact C-O 3.59Å; E262-S295 WeakPolarHBondContact CA-O 3.32Å; E262-S295 PolarHBondContact O-N 2.85Å
263F90.8Very high83.7Confident18 Ų1850.7 Ų50.78%0.07925%0.25CC..EExtended strand (participates in β ladder)trans-154.7156.7-17666.6-93.8000112.6R193 F293 N328 Y329R193-F263 HydrophobicContact CB-CZ 4.33Å; F263-F293 CarbonylContact C-O 3.54Å; F263-F293 WeakPolarHBondContact CA-O 3.42Å; F263-F293 WeakPolarHBondContact CB-O 3.19Å; F263-N328 VanDerWaalsContact CE2-ND2 3.32Å; F263-N328 WeakPolarHBondContact CE2-ND2 3.42Å; F263-N328 PolarHBondContact O-ND2 3.38Å; F263-Y329 HydrophobicContact CE2-CD2 4.41Å; F263-Y329 HydrophobicContact CE2-CE1 4.34Å; F263-Y329 AromaticContact CE2-CE2 3.45Å; F263-Y329 HydrophobicContact CE2-CE2 3.45Å; F263-Y329 VanDerWaalsContact CE2-CE2 3.45Å; F263-Y329 AromaticContact CE2-CZ 3.4Å; F263-Y329 WeakPolarHBondContact CE2-OH 3.23Å; F263-Y329 AromaticContact CZ-CE2 3.94Å; F263-Y329 HydrophobicContact CZ-CE2 3.94Å; F263-Y329 AromaticContact CZ-CZ 3.98Å; F263-Y329 WeakPolarHBondContact CZ-OH 3.38Å
264A91.4Very high82.8Confident0 Ų052.4 Ų52.40%026%0.262CS..EExtended strand (participates in β ladder)trans-136.5138.4167.500000109.3Y266 K292 F293 L298 I322 N328A264-Y266 HydrophobicContact CB-CE2 4.03Å; A264-K292 WeakPolarHBondContact O-CA 3.25Å; A264-F293 PolarHBondContact N-O 3.24Å; A264-F293 PolarHBondContact O-N 2.69Å; A264-L298 HydrophobicContact CB-CD2 3.53Å; A264-I322 HydrophobicContact CB-CD1 3.81Å; A264-N328 CarbonylContact C-O 3.53Å; A264-N328 WeakPolarHBondContact CA-O 3.41Å
265Q91.4Very high81.9Confident45 Ų4558.2 Ų58.221%0.2129%0.293CS..EExtended strand (participates in β ladder)trans-127.5125.2-173.5-176.2174.5-34.900110.7L290 V291 N328 Y329 F330Q265-L290 HydrophobicContact CG-CD1 3.62Å; Q265-L290 HydrophobicContact CG-CG 4.48Å; Q265-L290 VanDerWaalsContact NE2-CD1 3.32Å; Q265-V291 CarbonylContact C-O 3.34Å; Q265-V291 WeakPolarHBondContact CA-O 3.3Å; Q265-N328 PolarHBondContact N-O 2.78Å; Q265-Y329 HydrophobicContact CB-CD1 3.78Å; Q265-Y329 HydrophobicContact CB-CE1 3.9Å; Q265-Y329 HydrophobicContact CG-CD1 4.18Å; Q265-Y329 HydrophobicContact CG-CE1 4.26Å; Q265-Y329 CarbonylContact O-C 3.57Å; Q265-Y329 WeakPolarHBondContact O-CA 3.49Å; Q265-Y329 VanDerWaalsContact OE1-CE1 3.22Å; Q265-F330 PolarHBondContact O-N 3.32Å
266Y88.9Confident81Confident9 Ų958.4 Ų58.44%0.03530%0.3CS..EExtended strand (participates in β ladder)trans-115.7115.3178.1-60.4-94000108.8A264 L290 V291 F293 L318 L319 I322 F330 I332A264-Y266 HydrophobicContact CB-CE2 4.03Å; Y266-L290 WeakPolarHBondContact O-CA 3.28Å; Y266-V291 PolarHBondContact N-O 3.04Å; Y266-V291 PolarHBondContact O-N 3.04Å; Y266-F293 HydrophobicContact CD2-CD2 4.07Å; Y266-F293 AromaticContact CD2-CE2 3.9Å; Y266-F293 HydrophobicContact CD2-CE2 3.9Å; Y266-F293 AromaticContact CE2-CD2 3.86Å; Y266-F293 HydrophobicContact CE2-CD2 3.86Å; Y266-F293 AromaticContact CE2-CE2 3.84Å; Y266-F293 HydrophobicContact CE2-CE2 3.84Å; Y266-L318 HydrophobicContact CE1-CB 4.08Å; Y266-L318 PolarHBondContact OH-O 2.81Å; Y266-L319 HydrophobicContact CE2-CD2 3.93Å; Y266-I322 WeakPolarHBondContact OH-CD1 3.42Å; Y266-F330 HydrophobicContact CD1-CB 3.56Å; Y266-F330 AromaticContact CD1-CD2 3.7Å; Y266-F330 HydrophobicContact CD1-CD2 3.7Å; Y266-F330 AromaticContact CD1-CG 3.81Å; Y266-F330 HydrophobicContact CD1-CG 3.81Å; Y266-F330 HydrophobicContact CE1-CB 3.9Å; Y266-F330 HydrophobicContact CE1-CD1 4.42Å; Y266-F330 AromaticContact CE1-CD2 3.2Å; Y266-F330 HydrophobicContact CE1-CD2 3.2Å; Y266-F330 AromaticContact CE1-CE2 3.77Å; Y266-F330 HydrophobicContact CE1-CE2 3.77Å; Y266-F330 AromaticContact CE1-CG 3.58Å; Y266-F330 HydrophobicContact CE1-CG 3.58Å; Y266-F330 HydrophobicContact CE2-CD2 4.41Å; Y266-F330 HydrophobicContact CG-CB 4.37Å; Y266-F330 HydrophobicContact CG-CD2 4.45Å; Y266-F330 AromaticContact CZ-CD2 3.61Å; Y266-F330 AromaticContact CZ-CE2 3.85Å; Y266-I332 HydrophobicContact CD1-CD1 4.39Å
267K89.3Confident80.1Confident82 Ų8267.1 Ų67.136%0.35734%0.335SS..EExtended strand (participates in β ladder)trans-103.4111.1173.4-168.9-177.2-170.7-157.50108.7E269 L290 F330 K331 I332K267-E269 WeakPolarHBondContact CE-OE1 3.34Å; K267-E269 IonicContact NZ-OE1 3.19Å; K267-E269 PolarHBondContact NZ-OE1 3.27Å; K267-L290 HydrophobicContact CB-CD1 4.04Å; K267-L290 HydrophobicContact CG-CD1 4.31Å; K267-F330 PolarHBondContact N-O 3.01Å; K267-K331 CarbonylContact O-C 3.54Å; K267-K331 WeakPolarHBondContact O-CA 3.48Å; K267-I332 PolarHBondContact O-N 3.22Å
268L86.6Confident78.8Confident46 Ų4669 Ų6924%0.24134%0.337CS..EExtended strand (participates in β ladder)trans-96.1129176.3-62.293.4000109.2R288 C289 V291 I332L268-R288 WeakPolarHBondContact O-CA 3.24Å; L268-C289 HydrophobicContact CB-CB 4.29Å; L268-C289 HydrophobicContact CD1-CB 4.39Å; L268-C289 PolarHBondContact N-O 3.04Å; L268-C289 PolarHBondContact O-N 2.99Å; L268-V291 HydrophobicContact CD1-CG2 4.36Å; L268-I332 HydrophobicContact CD2-CD1 4.42Å; L268-I332 HydrophobicContact CG-CB 4.28Å; L268-I332 HydrophobicContact CG-CD1 4.28Å
269E85.1Confident77.2Confident29 Ų2975 Ų7514%0.13637%0.369CS..EExtended strand (participates in β ladder)trans-130.791.5172.8-68.4174-176.600106.8K267 F287 R288 K331 I332 R333K267-E269 WeakPolarHBondContact CE-OE1 3.34Å; K267-E269 IonicContact NZ-OE1 3.19Å; K267-E269 PolarHBondContact NZ-OE1 3.27Å; E269-F287 WeakPolarHBondContact CA-O 3.4Å; E269-R288 HydrophobicContact CG-CG 4.42Å; E269-K331 WeakPolarHBondContact OE1-CE 3.47Å; E269-K331 WeakPolarHBondContact OE2-CE 3.08Å; E269-K331 IonicContact OE2-NZ 3.5Å; E269-I332 PolarHBondContact N-O 3.1Å; E269-R333 HydrophobicContact CB-CG 4.15Å; E269-R333 IonicContact OE2-CZ 3.75Å; E269-R333 IonicContact OE2-NE 3.72Å; E269-R333 PolarHBondContact OE2-NE 3.37Å; E269-R333 IonicContact OE2-NH2 2.77Å; E269-R333 PolarHBondContact OE2-NH2 3.2Å
270T78.5Confident75.6Confident39 Ų3980.1 Ų80.124%0.23940%0.4CS..EExtended strand (participates in β ladder)trans-129150.6-175.259.50000111.3P286 F287 E334T270-P286 CarbonylContact O-C 3.56Å; T270-P286 WeakPolarHBondContact O-CA 3.47Å; T270-F287 PolarHBondContact N-O 3.07Å; T270-F287 WeakPolarHBondContact O-CB 3.15Å; T270-F287 PolarHBondContact O-N 3.18Å; T270-E334 HydrophobicContact CG2-CG 4.21Å
271M74.9Confident74Confident68 Ų6878.1 Ų78.134%0.33539%0.394SS..  trans-80.1144.6173.3-59.3-60-67.400109.9K273 K284 P286 E334M271-K273 PolarHBondContact O-N 2.83Å; M271-K284 WeakPolarHBondContact CE-O 3.36Å; M271-P286 HydrophobicContact SD-CB 3.8Å; M271-E334 WeakPolarHBondContact CB-OE2 3.5Å; M271-E334 WeakPolarHBondContact CG-OE2 3.1Å
272F68.8Low72.2Confident129 Ų12983.9 Ų83.957%0.56643%0.425SS*.  trans-72118.4169-171-100.5000108.1S274 L281F272-S274 PolarHBondContact O-N 3.25Å; F272-L281 HydrophobicContact CD1-CB 4.35Å; F272-L281 HydrophobicContact CD1-CD1 4.34Å; F272-L281 HydrophobicContact CE1-CB 4.43Å; F272-L281 HydrophobicContact CE1-CD1 3.85Å; F272-L281 HydrophobicContact CZ-CD1 4.33Å
273K66.4Low70.8Confident170 Ų17085.4 Ų85.474%0.73943%0.434SS*.  trans-89.792.6173.9-65.3-173.3-176.9179.90108.2M271 E334M271-K273 PolarHBondContact O-N 2.83Å; K273-E334 WeakPolarHBondContact CE-OE1 3.42Å; K273-E334 IonicContact NZ-OE1 3.73Å
274S61.1Low69.5Low39 Ų3993 Ų9327%0.27347%0.467SS..  trans-69.4149.6165.553.30000109.6F272F272-S274 PolarHBondContact O-N 3.25Å
275N60.9Low68.4Low124 Ų124100.2 Ų100.266%0.66350%0.501SS*.  trans-67.2129.8170.5-147.2-6.9000106.7K277 M278N275-K277 PolarHBondContact O-N 2.84Å; N275-M278 PolarHBondContact O-N 2.9Å
276P59.8Low67.6Low116 Ų116100.4 Ų100.475%0.75351%0.507SS*.THydrogen-bonded Turntrans-60.4-5.8-173.221.1-33.7000115
277K59.8Low67.2Low195 Ų195105.5 Ų105.585%0.84853%0.529SS*.THydrogen-bonded Turntrans-92.1-13.8175.5-63.7-177.2178.6-177.50113.9N275N275-K277 PolarHBondContact O-N 2.84Å
278M55.6Low67Low139 Ų139110.2 Ų110.269%0.68555%0.545SS*.  trans-117.187.7174.9-81.1-151.2176.700108.9N275 V280N275-M278 PolarHBondContact O-N 2.9Å; M278-V280 HydrophobicContact CB-CG2 4.47Å; M278-V280 PolarHBondContact O-N 3.34Å
279D53.5Low67Low133 Ų133110.1 Ų110.171%0.71155%0.547SS*.G310 helixtrans-67.823.8179.8-121.27.3000114
280V55.9Low67.3Low113 Ų113113.6 Ų113.669%0.68557%0.566SS**G310 helixtrans-84.2-16.1-166.5-177.40000112.2M278M278-V280 HydrophobicContact CB-CG2 4.47Å; M278-V280 PolarHBondContact O-N 3.34Å
281L54.6Low67.8Low79 Ų79114.3 Ų114.341%0.41457%0.57SS.*G310 helixtrans-143.761.8-176.1-66.1170.8000111.2F272 I283F272-L281 HydrophobicContact CD1-CB 4.35Å; F272-L281 HydrophobicContact CD1-CD1 4.34Å; F272-L281 HydrophobicContact CE1-CB 4.43Å; F272-L281 HydrophobicContact CE1-CD1 3.85Å; F272-L281 HydrophobicContact CZ-CD1 4.33Å; L281-I283 HydrophobicContact CD2-CD1 3.81Å; L281-I283 HydrophobicContact CD2-CG1 4.45Å; L281-I283 PolarHBondContact O-N 3.3Å
282D54.1Low68.7Low121 Ų121117.1 Ų117.165%0.64758%0.581SS**  trans-75.943.9169.9-139.824.9000111K284D282-K284 PolarHBondContact O-N 3.05Å; D282-K284 VanDerWaalsContact O-N 3.13Å
283I58.8Low69.7Low99 Ų99114.5 Ų114.551%0.50857%0.569SS.*  trans-78.699.9178.8-59.5176.5000106.8L281 E285L281-I283 HydrophobicContact CD2-CD1 3.81Å; L281-I283 HydrophobicContact CD2-CG1 4.45Å; L281-I283 PolarHBondContact O-N 3.3Å; I283-E285 HydrophobicContact CG2-CB 3.87Å; I283-E285 HydrophobicContact CG2-CG 4.31Å; I283-E285 PolarHBondContact O-N 3.06Å
284K63.6Low70.9Confident177 Ų177110.9 Ų110.977%0.7757%0.566SS**  trans-64.91175.2-68.5-178.4179.7174.60114.1M271 D282M271-K284 WeakPolarHBondContact CE-O 3.36Å; D282-K284 PolarHBondContact O-N 3.05Å; D282-K284 VanDerWaalsContact O-N 3.13Å
285E68.9Low72.3Confident152 Ų152110.2 Ų110.271%0.7156%0.561SS**SBendtrans-87.8133178.9-60.5-166.5165.300111.4I283 F287I283-E285 HydrophobicContact CG2-CB 3.87Å; I283-E285 HydrophobicContact CG2-CG 4.31Å; I283-E285 PolarHBondContact O-N 3.06Å; E285-F287 PolarHBondContact O-N 2.98Å
286P73.8Confident73.7Confident50 Ų50109.9 Ų109.933%0.32557%0.565SS.*PPolyproline II helixtrans-68.1132.1177.127.2-33.1000110.2T270 M271 R288T270-P286 CarbonylContact O-C 3.56Å; T270-P286 WeakPolarHBondContact O-CA 3.47Å; M271-P286 HydrophobicContact SD-CB 3.8Å; P286-R288 PolarHBondContact O-N 2.81Å
287F81.1Confident75.2Confident116 Ų116106.5 Ų106.551%0.50954%0.539SS..EExtended strand (participates in β ladder)trans-63.2129.3165.1163.2-102.4000109.5E269 T270 E285 C289E269-F287 WeakPolarHBondContact CA-O 3.4Å; T270-F287 PolarHBondContact N-O 3.07Å; T270-F287 WeakPolarHBondContact O-CB 3.15Å; T270-F287 PolarHBondContact O-N 3.18Å; E285-F287 PolarHBondContact O-N 2.98Å; F287-C289 HydrophobicContact CD1-CB 4.41Å; F287-C289 HydrophobicContact CE1-CB 3.46Å; F287-C289 VanDerWaalsContact CE1-CB 3.46Å; F287-C289 HydrophobicContact CE2-CB 4.24Å; F287-C289 HydrophobicContact CZ-CB 3.38Å
288R85.9Confident76.7Confident181 Ų18197.6 Ų97.668%0.68350%0.501SS*.EExtended strand (participates in β ladder)trans-115.9115.4-179.1-59.2179-173.1173.12.6109L268 E269 P286L268-R288 WeakPolarHBondContact O-CA 3.24Å; E269-R288 HydrophobicContact CG-CG 4.42Å; P286-R288 PolarHBondContact O-N 2.81Å
289C86.2Confident78.3Confident43 Ų4391 Ų9129%0.29147%0.468SS..EExtended strand (participates in β ladder)trans-122.5140.8173.9179.40000110.6L268 F287L268-C289 HydrophobicContact CB-CB 4.29Å; L268-C289 HydrophobicContact CD1-CB 4.39Å; L268-C289 PolarHBondContact N-O 3.04Å; L268-C289 PolarHBondContact O-N 2.99Å; F287-C289 HydrophobicContact CD1-CB 4.41Å; F287-C289 HydrophobicContact CE1-CB 3.46Å; F287-C289 VanDerWaalsContact CE1-CB 3.46Å; F287-C289 HydrophobicContact CE2-CB 4.24Å; F287-C289 HydrophobicContact CZ-CB 3.38Å
290L90.3Very high80Confident102 Ų10287.3 Ų87.353%0.53445%0.447SS..EExtended strand (participates in β ladder)trans-122.5114.5175.7-175.971.8000109.4Q265 Y266 K267Q265-L290 HydrophobicContact CG-CD1 3.62Å; Q265-L290 HydrophobicContact CG-CG 4.48Å; Q265-L290 VanDerWaalsContact NE2-CD1 3.32Å; Y266-L290 WeakPolarHBondContact O-CA 3.28Å; K267-L290 HydrophobicContact CB-CD1 4.04Å; K267-L290 HydrophobicContact CG-CD1 4.31Å
291V90.4Very high81.7Confident55 Ų5584.1 Ų84.133%0.33343%0.43SS..EExtended strand (participates in β ladder)trans-107.1123.4173.2-175.10000108.2Q265 Y266 L268 F293Q265-V291 CarbonylContact C-O 3.34Å; Q265-V291 WeakPolarHBondContact CA-O 3.3Å; Y266-V291 PolarHBondContact N-O 3.04Å; Y266-V291 PolarHBondContact O-N 3.04Å; L268-V291 HydrophobicContact CD1-CG2 4.36Å; V291-F293 HydrophobicContact CG1-CD2 4.24Å; V291-F293 HydrophobicContact CG1-CE2 3.58Å; V291-F293 HydrophobicContact CG1-CZ 3.77Å
292K92.6Very high83.4Confident126 Ų12680.6 Ų80.655%0.54841%0.411SS..EExtended strand (participates in β ladder)trans-124.2117.8176.8-175.1-176176.9-171.70109.5A264A264-K292 WeakPolarHBondContact O-CA 3.25Å
293F91.3Very high85Confident74 Ų7476.3 Ų76.333%0.32539%0.387SS..EExtended strand (participates in β ladder)trans-90.7137.5169.2-60.1-86000109F263 A264 Y266 V291 L298 L319F263-F293 CarbonylContact C-O 3.54Å; F263-F293 WeakPolarHBondContact CA-O 3.42Å; F263-F293 WeakPolarHBondContact CB-O 3.19Å; A264-F293 PolarHBondContact N-O 3.24Å; A264-F293 PolarHBondContact O-N 2.69Å; Y266-F293 HydrophobicContact CD2-CD2 4.07Å; Y266-F293 AromaticContact CD2-CE2 3.9Å; Y266-F293 HydrophobicContact CD2-CE2 3.9Å; Y266-F293 AromaticContact CE2-CD2 3.86Å; Y266-F293 HydrophobicContact CE2-CD2 3.86Å; Y266-F293 AromaticContact CE2-CE2 3.84Å; Y266-F293 HydrophobicContact CE2-CE2 3.84Å; V291-F293 HydrophobicContact CG1-CD2 4.24Å; V291-F293 HydrophobicContact CG1-CE2 3.58Å; V291-F293 HydrophobicContact CG1-CZ 3.77Å; F293-L298 HydrophobicContact CB-CD1 3.69Å; F293-L298 HydrophobicContact CB-CD2 4.22Å; F293-L319 HydrophobicContact CD2-CD2 4.19Å; F293-L319 HydrophobicContact CE2-CD2 3.71Å; F293-L319 HydrophobicContact CZ-CD2 4.05Å
294S91.3Very high86.5Confident95 Ų9574.4 Ų74.466%0.66438%0.383SS*.EExtended strand (participates in β ladder)trans-139.4127.1178.6-165.50000109.3E262E262-S294 CarbonylContact O-C 3.54Å; E262-S294 WeakPolarHBondContact O-CA 3.33Å
295S90.9Very high87.7Confident25 Ų2568.6 Ų68.618%0.17536%0.359CS..  trans-159.8145176.4165.30000108.4E262 H297 S301E262-S295 CarbonylContact C-O 3.59Å; E262-S295 WeakPolarHBondContact CA-O 3.32Å; E262-S295 PolarHBondContact O-N 2.85Å; S295-H297 PolarHBondContact O-N 3.38Å; S295-H297 PolarHBondContact OG-N 3.36Å; S295-S301 PolarHBondContact OG-OG 2.69Å
296P88.8Confident88.6Confident116 Ų11661.5 Ų61.575%0.75333%0.327SS*.THydrogen-bonded Turntrans-52.7-29172.6-25.434.1000113.6
297H91.8Very high89.2Confident45 Ų4562.1 Ų62.121%0.20833%0.331CS..THydrogen-bonded Turntrans-14174.2175.8-159.3-25.3000111.1Q258 P259 S295 L299 E300 S301Q258-H297 PolarHBondContact O-CE1 2.83Å; Q258-H297 PolarHBondContact O-NE2 2.83Å; P259-H297 PolarHBondContact O-CE1 3.46Å; P259-H297 VanDerWaalsContact O-CE1 3.29Å; S295-H297 PolarHBondContact O-N 3.38Å; S295-H297 PolarHBondContact OG-N 3.36Å; H297-L299 PolarHBondContact O-N 2.92Å; H297-E300 HydrophobicContact CB-CB 4.34Å; H297-E300 WeakPolarHBondContact ND1-CB 3.47Å; H297-E300 PolarHBondContact ND1-N 3.07Å; H297-E300 PolarHBondContact O-N 3.43Å; H297-S301 WeakPolarHBondContact O-CB 3.27Å; H297-S301 PolarHBondContact O-N 3.44Å; H297-S301 PolarHBondContact O-OG 3.19Å
298L91.2Very high89.6Confident8 Ų859.7 Ų59.74%0.04233%0.333CS..Hα-helixtrans-55.6-48.1-173.6-179.564.5000113.5L261 A264 F293 E300 S301 L302L261-L298 HydrophobicContact CD2-CD2 4.4Å; L261-L298 WeakPolarHBondContact O-CB 3.33Å; L261-L298 PolarHBondContact O-N 2.87Å; A264-L298 HydrophobicContact CB-CD2 3.53Å; F293-L298 HydrophobicContact CB-CD1 3.69Å; F293-L298 HydrophobicContact CB-CD2 4.22Å; L298-E300 PolarHBondContact O-N 3.34Å; L298-S301 WeakPolarHBondContact O-CB 3.35Å; L298-S301 PolarHBondContact O-N 2.86Å; L298-L302 HydrophobicContact CD1-CD1 4.39Å; L298-L302 HydrophobicContact CD1-CG 4.26Å; L298-L302 HydrophobicContact CG-CD1 4.14Å; L298-L302 HydrophobicContact CG-CG 4.4Å; L298-L302 WeakPolarHBondContact O-CG 3.29Å; L298-L302 PolarHBondContact O-N 3.23Å
299L89.3Confident89.5Confident0 Ų054.2 Ų54.20%033%0.332CS..Hα-helixtrans-65.5-39.2-175.8-63.6-178.6000112.9Q258 P259 L261 H297 S301 L302 K303 I322 P323Q258-L299 HydrophobicContact CB-CB 3.69Å; Q258-L299 HydrophobicContact CG-CB 4.22Å; P259-L299 HydrophobicContact CG-CD1 3.79Å; L261-L299 HydrophobicContact CB-CD1 4.48Å; L261-L299 HydrophobicContact CB-CG 4.28Å; H297-L299 PolarHBondContact O-N 2.92Å; L299-S301 VanDerWaalsContact C-N 3.34Å; L299-L302 HydrophobicContact CD2-CD1 4.38Å; L299-L302 PolarHBondContact O-N 3.08Å; L299-K303 WeakPolarHBondContact O-CB 3.41Å; L299-K303 PolarHBondContact O-N 2.81Å; L299-I322 HydrophobicContact CD2-CB 4.24Å; L299-I322 HydrophobicContact CD2-CD1 4.35Å; L299-I322 HydrophobicContact CD2-CG2 4.03Å; L299-P323 HydrophobicContact CD1-CB 4.22Å
300E90.2Very high89.5Confident56 Ų5658.7 Ų58.726%0.26235%0.353SS..Hα-helixtrans-70.6-34.9175.1-160.264.8-151.700111.4Q258 H297 L298 K303 S304Q258-E300 WeakPolarHBondContact CB-OE2 3.42Å; Q258-E300 WeakPolarHBondContact CG-OE2 3.5Å; Q258-E300 PolarHBondContact N-OE2 2.93Å; H297-E300 HydrophobicContact CB-CB 4.34Å; H297-E300 WeakPolarHBondContact ND1-CB 3.47Å; H297-E300 PolarHBondContact ND1-N 3.07Å; H297-E300 PolarHBondContact O-N 3.43Å; L298-E300 PolarHBondContact O-N 3.34Å; E300-K303 PolarHBondContact O-N 3.09Å; E300-K303 IonicContact OE1-NZ 2.69Å; E300-S304 WeakPolarHBondContact O-CB 3.44Å; E300-S304 PolarHBondContact O-N 2.78Å; E300-S304 PolarHBondContact O-OG 3.21Å
301S90.7Very high89.3Confident47 Ų4755.4 Ų55.433%0.32934%0.34SS..Hα-helixtrans-61.3-47.5172.7-530000110.2S295 H297 L298 L299 S304 L305S295-S301 PolarHBondContact OG-OG 2.69Å; H297-S301 WeakPolarHBondContact O-CB 3.27Å; H297-S301 PolarHBondContact O-N 3.44Å; H297-S301 PolarHBondContact O-OG 3.19Å; L298-S301 WeakPolarHBondContact O-CB 3.35Å; L298-S301 PolarHBondContact O-N 2.86Å; L299-S301 VanDerWaalsContact C-N 3.34Å; S301-S304 PolarHBondContact O-N 2.68Å; S301-L305 WeakPolarHBondContact O-CG 3.43Å; S301-L305 PolarHBondContact O-N 3.07Å; S301-L305 VanDerWaalsContact O-N 3.14Å
302L89.5Confident89.1Confident5 Ų560.1 Ų60.13%0.02636%0.363CS..Hα-helixtrans-60.2-46.2176.6-70.6174.4000111.6F253 L298 L299 S304 L305 L315 L319 I322F253-L302 HydrophobicContact CE1-CB 4.43Å; F253-L302 HydrophobicContact CZ-CB 4.15Å; L298-L302 HydrophobicContact CD1-CD1 4.39Å; L298-L302 HydrophobicContact CD1-CG 4.26Å; L298-L302 HydrophobicContact CG-CD1 4.14Å; L298-L302 HydrophobicContact CG-CG 4.4Å; L298-L302 WeakPolarHBondContact O-CG 3.29Å; L298-L302 PolarHBondContact O-N 3.23Å; L299-L302 HydrophobicContact CD2-CD1 4.38Å; L299-L302 PolarHBondContact O-N 3.08Å; L302-S304 PolarHBondContact O-N 3.49Å; L302-L305 HydrophobicContact CD2-CD1 3.81Å; L302-L305 PolarHBondContact O-N 3.45Å; L302-L315 WeakPolarHBondContact O-CD1 3.45Å; L302-L319 HydrophobicContact CD1-CB 4.22Å; L302-L319 HydrophobicContact CD2-CD1 4.07Å; L302-I322 HydrophobicContact CD1-CD1 4.44Å
303K88.3Confident88.6Confident30 Ų3054.9 Ų54.913%0.1334%0.344CS..Hα-helixtrans-56.7-32174.1-176.4-178.1174.5-169.60112.2N249 F253 G256 Q258 L299 E300 P307N249-K303 PolarHBondContact ND2-O 2.92Å; N249-K303 PolarHBondContact OD1-O 3.45Å; F253-K303 HydrophobicContact CB-CB 4.48Å; F253-K303 HydrophobicContact CB-CD 4.03Å; F253-K303 HydrophobicContact CB-CG 4.07Å; F253-K303 HydrophobicContact CD1-CB 4.3Å; F253-K303 HydrophobicContact CD2-CB 4.14Å; F253-K303 HydrophobicContact CD2-CG 4.17Å; F253-K303 HydrophobicContact CE2-CB 4.44Å; F253-K303 HydrophobicContact CG-CB 4.05Å; F253-K303 HydrophobicContact CG-CD 4.5Å; F253-K303 HydrophobicContact CG-CG 4.11Å; G256-K303 PolarHBondContact O-NZ 3.02Å; G256-K303 VanDerWaalsContact O-NZ 3.11Å; Q258-K303 HydrophobicContact CG-CD 4.18Å; L299-K303 WeakPolarHBondContact O-CB 3.41Å; L299-K303 PolarHBondContact O-N 2.81Å; E300-K303 PolarHBondContact O-N 3.09Å; E300-K303 IonicContact OE1-NZ 2.69Å; K303-P307 VanDerWaalsContact O-CD 3.24Å; K303-P307 WeakPolarHBondContact O-CD 3.41Å
304S90Very high88.2Confident60 Ų6055.9 Ų55.942%0.4236%0.358SS..Hα-helixtrans-86.8-15.5-177.8-55.90000114.3E300 S301 L302 A308E300-S304 WeakPolarHBondContact O-CB 3.44Å; E300-S304 PolarHBondContact O-N 2.78Å; E300-S304 PolarHBondContact O-OG 3.21Å; S301-S304 PolarHBondContact O-N 2.68Å; L302-S304 PolarHBondContact O-N 3.49Å; S304-A308 WeakPolarHBondContact O-CB 3.45Å; S304-A308 PolarHBondContact O-N 3.16Å; S304-A308 VanDerWaalsContact O-N 3.12Å
305L89.9Confident87.8Confident54 Ų5452.4 Ų52.428%0.28333%0.331SS..Hα-helixtrans-62.5-49.2-175.8-73.8176.5000113.2S301 L302 A308 G309 L310 A311S301-L305 WeakPolarHBondContact O-CG 3.43Å; S301-L305 PolarHBondContact O-N 3.07Å; S301-L305 VanDerWaalsContact O-N 3.14Å; L302-L305 HydrophobicContact CD2-CD1 3.81Å; L302-L305 PolarHBondContact O-N 3.45Å; L305-A308 PolarHBondContact O-N 3Å; L305-G309 PolarHBondContact O-N 3.48Å; L305-L310 HydrophobicContact CD2-CB 4.09Å; L305-L310 HydrophobicContact CD2-CD1 4.02Å; L305-L310 PolarHBondContact O-N 2.83Å; L305-A311 HydrophobicContact CB-CB 4.09Å
306A87.4Confident87.5Confident3 Ų353.8 Ų53.83%0.02534%0.341CS..THydrogen-bonded Turntrans-69-45.7-17700000112.5I245 A308 G309 A311 A313 L315I245-A306 HydrophobicContact CG2-CB 3.93Å; A306-A308 PolarHBondContact O-N 3.02Å; A306-G309 PolarHBondContact O-N 2.92Å; A306-A311 WeakPolarHBondContact CA-O 3.45Å; A306-A313 HydrophobicContact CB-CB 4.15Å; A306-L315 HydrophobicContact CB-CG 4.47Å
307P87.3Confident87.2Confident63 Ų6352.9 Ų52.941%0.40934%0.336SS..THydrogen-bonded Turntrans-60.2-29.8172.6-25.635000114.4I245 N249 K303 G309I245-P307 HydrophobicContact CG2-CG 4.47Å; N249-P307 WeakPolarHBondContact ND2-CG 3.45Å; K303-P307 VanDerWaalsContact O-CD 3.24Å; K303-P307 WeakPolarHBondContact O-CD 3.41Å; P307-G309 VanDerWaalsContact C-N 3.26Å; P307-G309 PolarHBondContact O-N 3.35Å
308A87.5Confident86.8Confident66 Ų6654.5 Ų54.555%0.54535%0.345SS..THydrogen-bonded Turntrans-78.7-6.3176.300000113.7S304 L305 A306 L310S304-A308 WeakPolarHBondContact O-CB 3.45Å; S304-A308 PolarHBondContact O-N 3.16Å; S304-A308 VanDerWaalsContact O-N 3.12Å; L305-A308 PolarHBondContact O-N 3Å; A306-A308 PolarHBondContact O-N 3.02Å; A308-L310 VanDerWaalsContact C-N 3.28Å; A308-L310 HydrophobicContact CB-CD1 4.25Å; A308-L310 HydrophobicContact CB-CG 4.17Å; A308-L310 PolarHBondContact O-N 2.91Å
309G83.9Confident86.4Confident66 Ų6655.4 Ų55.468%0.6835%0.35SS*.THydrogen-bonded Turntrans73.515.9-177.600000114.4L305 A306 P307L305-G309 PolarHBondContact O-N 3.48Å; A306-G309 PolarHBondContact O-N 2.92Å; P307-G309 VanDerWaalsContact C-N 3.26Å; P307-G309 PolarHBondContact O-N 3.35Å
310L87Confident86.1Confident137 Ų13756.3 Ų56.372%0.71736%0.356SS*.SBendtrans-86.6-14.7179-64.8175.6000113L305 A308L305-L310 HydrophobicContact CD2-CB 4.09Å; L305-L310 HydrophobicContact CD2-CD1 4.02Å; L305-L310 PolarHBondContact O-N 2.83Å; A308-L310 VanDerWaalsContact C-N 3.28Å; A308-L310 HydrophobicContact CB-CD1 4.25Å; A308-L310 HydrophobicContact CB-CG 4.17Å; A308-L310 PolarHBondContact O-N 2.91Å
311A87.2Confident85.7Confident32 Ų3254 Ų5426%0.26435%0.346SS..SBendtrans-149.3149.1179.300000110.7L305 A306 L315L305-A311 HydrophobicContact CB-CB 4.09Å; A306-A311 WeakPolarHBondContact CA-O 3.45Å; A311-L315 HydrophobicContact CB-CD2 3.67Å
312D84.7Confident85.3Confident154 Ų15451.8 Ų51.882%0.82433%0.33SS*.PPolyproline II helixtrans-71.9142.2177.3-62.2-33.9000111.6P314D312-P314 CarbonylContact O-C 3.6Å
313A83.3Confident84.9Confident17 Ų1751.7 Ų51.714%0.1433%0.329CS..SBendtrans-97.4131.8173.600000111R244 I245 A306R244-A313 PolarHBondContact NH2-O 3.02Å; I245-A313 HydrophobicContact CB-CB 4.36Å; I245-A313 HydrophobicContact CG1-CB 3.87Å; I245-A313 HydrophobicContact CG2-CB 4.14Å; A306-A313 HydrophobicContact CB-CB 4.15Å
314P81.3Confident84.6Confident95 Ų9555.3 Ų55.362%0.61735%0.347SS*.SBendcis-82.6147.37.631.9-34.6000113.9V248 D312V248-P314 HydrophobicContact CG1-CB 3.86Å; D312-P314 CarbonylContact O-C 3.6Å
315L83.6Confident84.2Confident21 Ų2158.2 Ų58.211%0.1135%0.352CS..PPolyproline II helixtrans-63.2150.9172.2-67.8177.2000111.5F253 L302 A306 A311 T320F253-L315 HydrophobicContact CE2-CD1 3.97Å; F253-L315 HydrophobicContact CZ-CD1 4.12Å; L302-L315 WeakPolarHBondContact O-CD1 3.45Å; A306-L315 HydrophobicContact CB-CG 4.47Å; A311-L315 HydrophobicContact CB-CD2 3.67Å; L315-T320 HydrophobicContact CB-CG2 3.88Å
316S84.7Confident83.9Confident55 Ų5556 Ų5639%0.38534%0.342SS..PPolyproline II helixtrans-52.6132.5-179-179.50000112.2L318 L319 T320S316-L318 PolarHBondContact O-N 2.79Å; S316-L318 PolarHBondContact OG-N 3.15Å; S316-L319 PolarHBondContact O-N 2.8Å; S316-T320 PolarHBondContact O-N 3.3Å
317P83.6Confident83.9Confident97 Ų9761.2 Ų61.263%0.6336%0.361SS*.Hα-helixtrans-54.2-25.5175.3-28.936000114.3L319 T320 C321P317-L319 VanDerWaalsContact C-N 3.31Å; P317-L319 PolarHBondContact O-N 2.89Å; P317-T320 VanDerWaalsContact CA-OG1 3.32Å; P317-T320 WeakPolarHBondContact CA-OG1 3.27Å; P317-T320 PolarHBondContact O-OG1 3.45Å; P317-C321 WeakPolarHBondContact O-CB 3.31Å; P317-C321 PolarHBondContact O-N 3.31Å; P317-C321 PolarHBondContact O-SG 2.83Å
318L82.7Confident84Confident79 Ų7958.2 Ų58.241%0.41434%0.341SS..Hα-helixtrans-62.4-40.9175.9-66.6177.3000111.4Y266 S316 C321 I332Y266-L318 HydrophobicContact CE1-CB 4.08Å; Y266-L318 PolarHBondContact OH-O 2.81Å; S316-L318 PolarHBondContact O-N 2.79Å; S316-L318 PolarHBondContact OG-N 3.15Å; L318-C321 PolarHBondContact O-SG 2.8Å; L318-C321 VanDerWaalsContact O-SG 3.35Å; L318-I332 HydrophobicContact CD1-CD1 4.1Å; L318-I332 HydrophobicContact CD2-CD1 4.39Å
319L82.6Confident83.9Confident27 Ų2757.8 Ų57.814%0.14133%0.326CS..Hα-helixtrans-79.6-36.3-179.5-60.5177.3000111.8Y266 F293 L302 S316 P317 I322Y266-L319 HydrophobicContact CE2-CD2 3.93Å; F293-L319 HydrophobicContact CD2-CD2 4.19Å; F293-L319 HydrophobicContact CE2-CD2 3.71Å; F293-L319 HydrophobicContact CZ-CD2 4.05Å; L302-L319 HydrophobicContact CD1-CB 4.22Å; L302-L319 HydrophobicContact CD2-CD1 4.07Å; S316-L319 PolarHBondContact O-N 2.8Å; P317-L319 VanDerWaalsContact C-N 3.31Å; P317-L319 PolarHBondContact O-N 2.89Å; L319-I322 WeakPolarHBondContact O-CD1 3.43Å; L319-I322 WeakPolarHBondContact O-CG1 3.44Å
320T82.2Confident84Confident19 Ų1955.9 Ų55.912%0.11730%0.299CS..Hα-helixtrans-81.6-20.3-175.864.40000113V252 F253 L315 S316 P317 P323V252-T320 HydrophobicContact CG1-CG2 3.44Å; V252-T320 VanDerWaalsContact CG1-CG2 3.44Å; F253-T320 HydrophobicContact CE2-CG2 4.26Å; F253-T320 HydrophobicContact CZ-CG2 3.99Å; L315-T320 HydrophobicContact CB-CG2 3.88Å; S316-T320 PolarHBondContact O-N 3.3Å; P317-T320 VanDerWaalsContact CA-OG1 3.32Å; P317-T320 WeakPolarHBondContact CA-OG1 3.27Å; P317-T320 PolarHBondContact O-OG1 3.45Å; T320-P323 WeakPolarHBondContact O-CD 3.13Å
321C81.8Confident83.9Confident8 Ų854 Ų545%0.05429%0.285CS..THydrogen-bonded Turntrans-82.2-6.217977.20000114.9P317 L318 Q324 K325P317-C321 WeakPolarHBondContact O-CB 3.31Å; P317-C321 PolarHBondContact O-N 3.31Å; P317-C321 PolarHBondContact O-SG 2.83Å; L318-C321 PolarHBondContact O-SG 2.8Å; L318-C321 VanDerWaalsContact O-SG 3.35Å; C321-Q324 PolarHBondContact O-N 2.99Å; C321-K325 HydrophobicContact CB-CD 4.15Å; C321-K325 HydrophobicContact CB-CG 4.23Å; C321-K325 WeakPolarHBondContact O-CB 3.47Å; C321-K325 PolarHBondContact O-N 2.75Å
322I83.8Confident83.7Confident0 Ų055 Ų550%029%0.285CS..Hα-helixtrans-48.5-55.2-179.3-68.8171.2000112.2L261 A264 Y266 L299 L302 L319 A326 R327 F330L261-I322 HydrophobicContact CD2-CG2 3.62Å; A264-I322 HydrophobicContact CB-CD1 3.81Å; Y266-I322 WeakPolarHBondContact OH-CD1 3.42Å; L299-I322 HydrophobicContact CD2-CB 4.24Å; L299-I322 HydrophobicContact CD2-CD1 4.35Å; L299-I322 HydrophobicContact CD2-CG2 4.03Å; L302-I322 HydrophobicContact CD1-CD1 4.44Å; L319-I322 WeakPolarHBondContact O-CD1 3.43Å; L319-I322 WeakPolarHBondContact O-CG1 3.44Å; I322-A326 WeakPolarHBondContact O-CA 3.42Å; I322-A326 PolarHBondContact O-N 3.43Å; I322-R327 WeakPolarHBondContact CG2-O 3.47Å; I322-R327 PolarHBondContact O-N 2.89Å; I322-F330 HydrophobicContact CG1-CE2 3.94Å; I322-F330 HydrophobicContact CG1-CZ 4.12Å
323P80.8Confident83.6Confident2 Ų254.7 Ų54.71%0.01327%0.273CS..Hα-helixtrans-80.9-20.7-175.539.1-41.8000112Y208 L299 T320Y208-P323 HydrophobicContact CE2-CB 4.08Å; Y208-P323 HydrophobicContact CE2-CG 4.48Å; Y208-P323 VanDerWaalsContact OH-C 3.24Å; Y208-P323 VanDerWaalsContact OH-CB 3.23Å; Y208-P323 WeakPolarHBondContact OH-CB 3.32Å; Y208-P323 PolarHBondContact OH-O 3.46Å; Y208-P323 VanDerWaalsContact OH-O 3.06Å; L299-P323 HydrophobicContact CD1-CB 4.22Å; T320-P323 WeakPolarHBondContact O-CD 3.13Å
324Q80.8Confident83.1Confident107 Ų10757.7 Ų57.750%0.528%0.284SS..Hα-helixtrans-74.4-44174.3-66.4179-10.300112.7C321 A326C321-Q324 PolarHBondContact O-N 2.99Å; Q324-A326 VanDerWaalsContact C-N 3.29Å
325K82.4Confident82.3Confident120 Ų12064.3 Ų64.352%0.52230%0.297SS..Hα-helixtrans-83.5-9.1177.5-67.7-174.1-178.4171.10112.5C321 R327C321-K325 HydrophobicContact CB-CD 4.15Å; C321-K325 HydrophobicContact CB-CG 4.23Å; C321-K325 WeakPolarHBondContact O-CB 3.47Å; C321-K325 PolarHBondContact O-N 2.75Å; K325-R327 VanDerWaalsContact C-N 3.33Å; K325-R327 HydrophobicContact CB-CG 4.5Å; K325-R327 WeakPolarHBondContact O-CG 3.14Å; K325-R327 PolarHBondContact O-N 2.72Å
326A84.4Confident80.9Confident9 Ų972.8 Ų72.87%0.07433%0.332CS..THydrogen-bonded Turntrans48.854.4-173.600000111M190 L192 I203 I322 Q324M190-A326 HydrophobicContact CE-CB 3.81Å; M190-A326 VanDerWaalsContact O-O 3.09Å; L192-A326 WeakPolarHBondContact CB-O 3.35Å; L192-A326 HydrophobicContact CD2-CB 4.13Å; I203-A326 HydrophobicContact CG2-CB 3.81Å; I322-A326 WeakPolarHBondContact O-CA 3.42Å; I322-A326 PolarHBondContact O-N 3.43Å; Q324-A326 VanDerWaalsContact C-N 3.29Å
327R87.1Confident78.8Confident111 Ų11172.9 Ų72.942%0.41934%0.343SS..  trans-143.1138.9-178.9-70.2178-165-151.16.1110.5M190 E191 I322 K325 F330M190-R327 WeakPolarHBondContact O-CG 3.15Å; E191-R327 HydrophobicContact CB-CG 4.21Å; E191-R327 IonicContact OE2-NH1 3.71Å; E191-R327 PolarHBondContact OE2-NH1 2.77Å; I322-R327 WeakPolarHBondContact CG2-O 3.47Å; I322-R327 PolarHBondContact O-N 2.89Å; K325-R327 VanDerWaalsContact C-N 3.33Å; K325-R327 HydrophobicContact CB-CG 4.5Å; K325-R327 WeakPolarHBondContact O-CG 3.14Å; K325-R327 PolarHBondContact O-N 2.72Å; R327-F330 HydrophobicContact CB-CE1 3.91Å; R327-F330 HydrophobicContact CB-CE2 4.46Å; R327-F330 HydrophobicContact CB-CZ 3.81Å; R327-F330 WeakPolarHBondContact O-CE2 3.43Å; R327-F330 WeakPolarHBondContact O-CZ 3.33Å
328N87.9Confident76.6Confident0 Ų075.6 Ų75.60%035%0.35CS..SBendtrans-125.1-4.7171.274.8-33000113.9E191 L192 R193 L261 F263 A264 Q265E191-N328 PolarHBondContact O-N 3.07Å; E191-N328 PolarHBondContact O-OD1 3.08Å; E191-N328 VanDerWaalsContact O-OD1 3.07Å; L192-N328 VanDerWaalsContact CA-OD1 3.27Å; L192-N328 WeakPolarHBondContact CA-OD1 3.42Å; L192-N328 HydrophobicContact CD1-CB 4.15Å; R193-N328 PolarHBondContact N-OD1 3Å; R193-N328 PolarHBondContact O-ND2 3.42Å; L261-N328 HydrophobicContact CD1-CB 4.36Å; L261-N328 HydrophobicContact CD2-CB 3.94Å; F263-N328 VanDerWaalsContact CE2-ND2 3.32Å; F263-N328 WeakPolarHBondContact CE2-ND2 3.42Å; F263-N328 PolarHBondContact O-ND2 3.38Å; A264-N328 CarbonylContact C-O 3.53Å; A264-N328 WeakPolarHBondContact CA-O 3.41Å; Q265-N328 PolarHBondContact N-O 2.78Å
329Y86.8Confident74.2Confident57 Ų5781 Ų8122%0.22437%0.371CS..EExtended strand (participates in β ladder)trans-106125.6163.7-72.6-92.6000109.3E191 R193 F263 Q265E191-Y329 PolarHBondContact O-N 3.1Å; R193-Y329 HydrophobicContact CB-CE2 4Å; R193-Y329 HydrophobicContact CG-CD2 4.27Å; R193-Y329 HydrophobicContact CG-CE2 3.85Å; F263-Y329 HydrophobicContact CE2-CD2 4.41Å; F263-Y329 HydrophobicContact CE2-CE1 4.34Å; F263-Y329 AromaticContact CE2-CE2 3.45Å; F263-Y329 HydrophobicContact CE2-CE2 3.45Å; F263-Y329 VanDerWaalsContact CE2-CE2 3.45Å; F263-Y329 AromaticContact CE2-CZ 3.4Å; F263-Y329 WeakPolarHBondContact CE2-OH 3.23Å; F263-Y329 AromaticContact CZ-CE2 3.94Å; F263-Y329 HydrophobicContact CZ-CE2 3.94Å; F263-Y329 AromaticContact CZ-CZ 3.98Å; F263-Y329 WeakPolarHBondContact CZ-OH 3.38Å; Q265-Y329 HydrophobicContact CB-CD1 3.78Å; Q265-Y329 HydrophobicContact CB-CE1 3.9Å; Q265-Y329 HydrophobicContact CG-CD1 4.18Å; Q265-Y329 HydrophobicContact CG-CE1 4.26Å; Q265-Y329 CarbonylContact O-C 3.57Å; Q265-Y329 WeakPolarHBondContact O-CA 3.49Å; Q265-Y329 VanDerWaalsContact OE1-CE1 3.22Å
330F86.3Confident71.9Confident26 Ų2686 Ų8611%0.11440%0.404CS..EExtended strand (participates in β ladder)trans-123130.6178-63-88.7000109.6Q265 Y266 K267 I322 R327Q265-F330 PolarHBondContact O-N 3.32Å; Y266-F330 HydrophobicContact CD1-CB 3.56Å; Y266-F330 AromaticContact CD1-CD2 3.7Å; Y266-F330 HydrophobicContact CD1-CD2 3.7Å; Y266-F330 AromaticContact CD1-CG 3.81Å; Y266-F330 HydrophobicContact CD1-CG 3.81Å; Y266-F330 HydrophobicContact CE1-CB 3.9Å; Y266-F330 HydrophobicContact CE1-CD1 4.42Å; Y266-F330 AromaticContact CE1-CD2 3.2Å; Y266-F330 HydrophobicContact CE1-CD2 3.2Å; Y266-F330 AromaticContact CE1-CE2 3.77Å; Y266-F330 HydrophobicContact CE1-CE2 3.77Å; Y266-F330 AromaticContact CE1-CG 3.58Å; Y266-F330 HydrophobicContact CE1-CG 3.58Å; Y266-F330 HydrophobicContact CE2-CD2 4.41Å; Y266-F330 HydrophobicContact CG-CB 4.37Å; Y266-F330 HydrophobicContact CG-CD2 4.45Å; Y266-F330 AromaticContact CZ-CD2 3.61Å; Y266-F330 AromaticContact CZ-CE2 3.85Å; K267-F330 PolarHBondContact N-O 3.01Å; I322-F330 HydrophobicContact CG1-CE2 3.94Å; I322-F330 HydrophobicContact CG1-CZ 4.12Å; R327-F330 HydrophobicContact CB-CE1 3.91Å; R327-F330 HydrophobicContact CB-CE2 4.46Å; R327-F330 HydrophobicContact CB-CZ 3.81Å; R327-F330 WeakPolarHBondContact O-CE2 3.43Å; R327-F330 WeakPolarHBondContact O-CZ 3.33Å
331K84.4Confident69.5Low98 Ų9888.4 Ų88.443%0.42643%0.433SS..EExtended strand (participates in β ladder)trans-111.7104170.7-163.3177.7-164.6177.80109.2K267 E269 R333K267-K331 CarbonylContact O-C 3.54Å; K267-K331 WeakPolarHBondContact O-CA 3.48Å; E269-K331 WeakPolarHBondContact OE1-CE 3.47Å; E269-K331 WeakPolarHBondContact OE2-CE 3.08Å; E269-K331 IonicContact OE2-NZ 3.5Å; K331-R333 HydrophobicContact CG-CG 4.37Å
332I83.4Confident66.9Low53 Ų5393.5 Ų93.527%0.27247%0.469SS..EExtended strand (participates in β ladder)trans-92.7116.2-180-56.5175.8000107.1Y266 K267 L268 E269 L318Y266-I332 HydrophobicContact CD1-CD1 4.39Å; K267-I332 PolarHBondContact O-N 3.22Å; L268-I332 HydrophobicContact CD2-CD1 4.42Å; L268-I332 HydrophobicContact CG-CB 4.28Å; L268-I332 HydrophobicContact CG-CD1 4.28Å; E269-I332 PolarHBondContact N-O 3.1Å; L318-I332 HydrophobicContact CD1-CD1 4.1Å; L318-I332 HydrophobicContact CD2-CD1 4.39Å
333R82Confident64.6Low148 Ų148103.7 Ų103.756%0.55851%0.514SS*.EExtended strand (participates in β ladder)trans-126.5149.7177.2-74.6174.9164.3-168.1-12.1108.8E269 K331 R335E269-R333 HydrophobicContact CB-CG 4.15Å; E269-R333 IonicContact OE2-CZ 3.75Å; E269-R333 IonicContact OE2-NE 3.72Å; E269-R333 PolarHBondContact OE2-NE 3.37Å; E269-R333 IonicContact OE2-NH2 2.77Å; E269-R333 PolarHBondContact OE2-NH2 3.2Å; K331-R333 HydrophobicContact CG-CG 4.37Å; R333-R335 PolarHBondContact O-N 2.87Å
334E72.6Confident62.1Low80 Ų80110 Ų11037%0.37455%0.551SS.*  trans-60.9133.2168.5-70.3-169.3142.200110.2T270 M271 K273 K336T270-E334 HydrophobicContact CG2-CG 4.21Å; M271-E334 WeakPolarHBondContact CB-OE2 3.5Å; M271-E334 WeakPolarHBondContact CG-OE2 3.1Å; K273-E334 WeakPolarHBondContact CE-OE1 3.42Å; K273-E334 IonicContact NZ-OE1 3.73Å; E334-K336 PolarHBondContact O-N 2.8Å; E334-K336 VanDerWaalsContact O-N 3.1Å
335R63.8Low59.6Low234 Ų234109.6 Ų109.688%0.88356%0.561SS**  trans-68.8108.1171.9-155.9176.8-165.3-179.62.7106.2R333 G337R333-R335 PolarHBondContact O-N 2.87Å; R335-G337 PolarHBondContact O-N 3.13Å; R335-G337 VanDerWaalsContact O-N 3.08Å
336K54.9Low57.1Low198 Ų198113.5 Ų113.586%0.86160%0.598SS**  trans-55.7119.2167.9-70.6-172.2177.3-172.50106.5E334 I338E334-K336 PolarHBondContact O-N 2.8Å; E334-K336 VanDerWaalsContact O-N 3.1Å; K336-I338 PolarHBondContact O-N 2.85Å
337G41.6Very low55.8Low58 Ų58118.7 Ų118.760%0.59862%0.624SS**  trans-53.3126.5179.300000109.4R335 F339R335-G337 PolarHBondContact O-N 3.13Å; R335-G337 VanDerWaalsContact O-N 3.08Å; G337-F339 VanDerWaalsContact C-N 3.33Å; G337-F339 PolarHBondContact O-N 2.89Å; G337-F339 VanDerWaalsContact O-N 3.1Å
338I36Very low54.1Low154 Ų154119.1 Ų119.179%0.7964%0.635SS**  trans-65.5105.3156.6-64.1166.9000103.7K336 P340K336-I338 PolarHBondContact O-N 2.85Å; I338-P340 WeakPolarHBondContact O-CD 3.38Å
339F33.1Very low52.3Low193 Ų193125.7 Ų125.785%0.84667%0.671SS**  trans-66121.1164.3-79.5-86.2000107G337 G341G337-F339 VanDerWaalsContact C-N 3.33Å; G337-F339 PolarHBondContact O-N 2.89Å; G337-F339 VanDerWaalsContact O-N 3.1Å; F339-G341 PolarHBondContact O-N 3.17Å
340P33.2Very low50.2Low130 Ų130129.8 Ų129.884%0.84470%0.697SS**  trans-77.799.1167.831-25.9000106.6I338I338-P340 WeakPolarHBondContact O-CD 3.38Å
341G33Very low48Very low70 Ų70136.3 Ų136.372%0.72273%0.733SS**  trans173.359.1-178.300000114.8F339F339-G341 PolarHBondContact O-N 3.17Å
342S27.5Very low45.5Very low115 Ų115138.8 Ų138.880%0.80475%0.754SS**  trans-169.669.2146.4660000110V344S342-V344 PolarHBondContact O-N 3.48Å
343F33.8Very low42.8Very low215 Ų215144.9 Ų144.994%0.94379%0.788SS**  trans-80.897.9145.6-86.3-80.3000106.2
344V29.3Very low39.8Very low133 Ų133144.7 Ų144.781%0.80681%0.806SS**  trans-146.1101.5151.3-172.40000106.6S342S342-V344 PolarHBondContact O-N 3.48Å
345S27.3Very low37.1Very low100 Ų100150.1 Ų150.170%0.69984%0.842SS**  trans-69.6152.1152.2-52.70000108
346P31.7Very low34.7Very low201 Ų201142.5 Ų142.5100%1.30584%0.838SS**  -106.4059.9-5.125.6000114.6

Retrieved 346 of 346 residues in 160.6 ms (Link to these results)

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