A0A3Q0KTX6_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase MINDY

Hydrolase that can remove 'Lys-48'-linked conjugated ubiquitin from proteins.

AlphaFold DB , UniProt , Accession A0A3Q0KTX6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 467 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
1M50.7Low73.8Confident208 Ų20888 Ų88100%1.02544%0.443SS*.  0-40.70-66.6-175.9-154.600112.3S4 C5M1-S4 PolarHBondContact O-N 3.3Å; M1-C5 PolarHBondContact O-N 3.05Å
2T57.4Low75.2Confident65 Ų6580.8 Ų80.840%0.39941%0.407SS..Hα-helixtrans-58.9-46.1-178.121.50000115S4 C5 I6 R160T2-S4 PolarHBondContact O-N 3.4Å; T2-C5 WeakPolarHBondContact O-CB 3.4Å; T2-C5 PolarHBondContact O-N 3.41Å; T2-I6 WeakPolarHBondContact O-CG1 3.43Å; T2-I6 PolarHBondContact O-N 2.91Å; T2-R160 VanDerWaalsContact CG2-CD 3.48Å
3E57.3Low76.4Confident172 Ų17275.8 Ų75.880%0.80438%0.382SS*.Hα-helixtrans-63-40.4179.6-76-173.8156.300113.3C5 I6 A7E3-C5 VanDerWaalsContact C-N 3.34Å; E3-C5 PolarHBondContact O-N 2.88Å; E3-I6 PolarHBondContact O-N 3.12Å; E3-A7 PolarHBondContact O-N 3.06Å
4S70.3Confident77.2Confident81 Ų8184.1 Ų84.157%0.56641%0.407SS*.Hα-helixtrans-61.3-43.3175.9-178.60000111.4M1 T2 I6 A7 R8M1-S4 PolarHBondContact O-N 3.3Å; T2-S4 PolarHBondContact O-N 3.4Å; S4-I6 PolarHBondContact O-N 2.73Å; S4-A7 PolarHBondContact O-N 3.13Å; S4-R8 PolarHBondContact O-N 3.34Å; S4-R8 VanDerWaalsContact O-N 3.08Å
5C75.6Confident78.1Confident8 Ų879.8 Ų79.85%0.05439%0.388CS..Hα-helixtrans-60.7-46.9176-173.70000111.4M1 T2 E3 A7 R8 V9 C161M1-C5 PolarHBondContact O-N 3.05Å; T2-C5 WeakPolarHBondContact O-CB 3.4Å; T2-C5 PolarHBondContact O-N 3.41Å; E3-C5 VanDerWaalsContact C-N 3.34Å; E3-C5 PolarHBondContact O-N 2.88Å; C5-A7 PolarHBondContact O-N 3.23Å; C5-R8 PolarHBondContact O-N 3.44Å; C5-V9 WeakPolarHBondContact O-CB 3.36Å; C5-V9 VanDerWaalsContact O-CG2 3.23Å; C5-V9 WeakPolarHBondContact O-CG2 3.44Å; C5-V9 PolarHBondContact O-N 2.75Å; C5-C161 HydrophobicContact CB-CB 4.37Å
6I76.7Confident79.1Confident36 Ų3674.8 Ų74.819%0.18536%0.363CS..Hα-helixtrans-64.2-41.1-178.8-67.1167.7000111.5T2 E3 S4 V9 R10T2-I6 WeakPolarHBondContact O-CG1 3.43Å; T2-I6 PolarHBondContact O-N 2.91Å; E3-I6 PolarHBondContact O-N 3.12Å; S4-I6 PolarHBondContact O-N 2.73Å; I6-V9 PolarHBondContact O-N 3.36Å; I6-R10 WeakPolarHBondContact O-CG 3.47Å; I6-R10 PolarHBondContact O-N 3.09Å
7A79.7Confident79.9Confident53 Ų5371 Ų7144%0.43834%0.344SS..Hα-helixtrans-60.1-48.617600000111.1E3 S4 C5 V9 R10 E11E3-A7 PolarHBondContact O-N 3.06Å; S4-A7 PolarHBondContact O-N 3.13Å; C5-A7 PolarHBondContact O-N 3.23Å; A7-V9 PolarHBondContact O-N 3.39Å; A7-R10 PolarHBondContact O-N 3.1Å; A7-E11 PolarHBondContact O-N 2.97Å
8R86Confident80.3Confident64 Ų6469.2 Ų69.224%0.24235%0.347CS..Hα-helixtrans-59.4-44.5175.8-167.3175-177.41712.5111.7S4 C5 R10 E11 F12 E163 F196S4-R8 PolarHBondContact O-N 3.34Å; S4-R8 VanDerWaalsContact O-N 3.08Å; C5-R8 PolarHBondContact O-N 3.44Å; R8-R10 VanDerWaalsContact C-N 3.3Å; R8-R10 PolarHBondContact O-N 2.86Å; R8-E11 PolarHBondContact O-N 2.65Å; R8-F12 HydrophobicContact CG-CD2 3.98Å; R8-F12 HydrophobicContact CG-CE2 3.89Å; R8-F12 WeakPolarHBondContact O-CD2 3.5Å; R8-F12 PolarHBondContact O-N 3.4Å; R8-F12 VanDerWaalsContact O-N 3.15Å; R8-E163 IonicContact NH1-OE1 3.34Å; R8-F196 HydrophobicContact CB-CE2 4.26Å; R8-F196 HydrophobicContact CB-CZ 3.97Å; R8-F196 HydrophobicContact CG-CD1 4.41Å; R8-F196 HydrophobicContact CG-CD2 4.44Å; R8-F196 HydrophobicContact CG-CE1 3.94Å; R8-F196 HydrophobicContact CG-CE2 3.97Å; R8-F196 HydrophobicContact CG-CZ 3.68Å; R8-F196 PolarHBondContact NH2-O 3.29Å
9V86.8Confident80.2Confident0 Ų067.1 Ų67.10%034%0.344CS..Hα-helixtrans-56.2-42.9176.6167.30000111.5C5 I6 A7 E11 F12 N13 I156 L159 Y192 F196C5-V9 WeakPolarHBondContact O-CB 3.36Å; C5-V9 VanDerWaalsContact O-CG2 3.23Å; C5-V9 WeakPolarHBondContact O-CG2 3.44Å; C5-V9 PolarHBondContact O-N 2.75Å; I6-V9 PolarHBondContact O-N 3.36Å; A7-V9 PolarHBondContact O-N 3.39Å; V9-E11 VanDerWaalsContact C-N 3.33Å; V9-E11 PolarHBondContact O-N 2.79Å; V9-F12 PolarHBondContact O-N 3.37Å; V9-N13 WeakPolarHBondContact O-CB 3.33Å; V9-N13 PolarHBondContact O-N 2.73Å; V9-N13 PolarHBondContact O-OD1 3.42Å; V9-I156 HydrophobicContact CG1-CD1 3.65Å; V9-I156 HydrophobicContact CG1-CG2 3.85Å; V9-L159 HydrophobicContact CG1-CD1 4.04Å; V9-L159 HydrophobicContact CG2-CB 4.48Å; V9-L159 HydrophobicContact CG2-CD1 3.72Å; V9-Y192 HydrophobicContact CG1-CE1 3.98Å; V9-Y192 HydrophobicContact CG2-CD1 4.38Å; V9-Y192 HydrophobicContact CG2-CE1 4.42Å; V9-F196 HydrophobicContact CB-CZ 4.42Å; V9-F196 HydrophobicContact CG2-CE2 4.36Å; V9-F196 HydrophobicContact CG2-CZ 3.63Å
10R84Confident79.7Confident165 Ų16568.3 Ų68.362%0.62336%0.359SS*.Hα-helixtrans-63.5-37.7-179.5-72.9176.7-177.8168.92.3112.9I6 A7 R8I6-R10 WeakPolarHBondContact O-CG 3.47Å; I6-R10 PolarHBondContact O-N 3.09Å; A7-R10 PolarHBondContact O-N 3.1Å; R8-R10 VanDerWaalsContact C-N 3.3Å; R8-R10 PolarHBondContact O-N 2.86Å
11E86.8Confident79.5Confident116 Ų11671.5 Ų71.554%0.54238%0.376SS..Hα-helixtrans-66.9-46.9177.1-63.4-179.6167.500111A7 R8 V9 N13 R14 L200A7-E11 PolarHBondContact O-N 2.97Å; R8-E11 PolarHBondContact O-N 2.65Å; V9-E11 VanDerWaalsContact C-N 3.33Å; V9-E11 PolarHBondContact O-N 2.79Å; E11-N13 VanDerWaalsContact C-N 3.35Å; E11-N13 PolarHBondContact O-N 3.28Å; E11-R14 PolarHBondContact O-N 3.38Å; E11-L200 HydrophobicContact CB-CD2 3.63Å
12F91.2Very high81.1Confident2 Ų262.6 Ų62.61%0.00933%0.334CS..Hα-helixtrans-64.2-36.9176.2-85.6-88000112.6R8 V9 R14 V15 I16 L195 F196 L200 L203R8-F12 HydrophobicContact CG-CD2 3.98Å; R8-F12 HydrophobicContact CG-CE2 3.89Å; R8-F12 WeakPolarHBondContact O-CD2 3.5Å; R8-F12 PolarHBondContact O-N 3.4Å; R8-F12 VanDerWaalsContact O-N 3.15Å; V9-F12 PolarHBondContact O-N 3.37Å; F12-R14 PolarHBondContact O-N 3.47Å; F12-R14 VanDerWaalsContact O-N 3.15Å; F12-V15 CarbonylContact O-C 3.6Å; F12-V15 PolarHBondContact O-N 3.11Å; F12-I16 HydrophobicContact CB-CD1 3.94Å; F12-I16 VanDerWaalsContact O-CG1 3.3Å; F12-I16 WeakPolarHBondContact O-CG1 3.48Å; F12-I16 PolarHBondContact O-N 2.93Å; F12-L195 HydrophobicContact CD1-CB 3.81Å; F12-L195 HydrophobicContact CD1-CD1 4.42Å; F12-L195 HydrophobicContact CE1-CB 3.66Å; F12-L195 VanDerWaalsContact CE1-O 3.24Å; F12-L195 WeakPolarHBondContact CE1-O 3.22Å; F12-L195 WeakPolarHBondContact CZ-O 3.3Å; F12-F196 HydrophobicContact CB-CE1 4.2Å; F12-F196 HydrophobicContact CD1-CD1 4.46Å; F12-F196 AromaticContact CD2-CD1 3.73Å; F12-F196 HydrophobicContact CD2-CD1 3.73Å; F12-F196 AromaticContact CD2-CE1 3.42Å; F12-F196 HydrophobicContact CD2-CE1 3.42Å; F12-F196 VanDerWaalsContact CD2-CE1 3.42Å; F12-F196 HydrophobicContact CD2-CZ 4.43Å; F12-F196 HydrophobicContact CE1-CD1 4.42Å; F12-F196 AromaticContact CE2-CD1 3.66Å; F12-F196 HydrophobicContact CE2-CD1 3.66Å; F12-F196 AromaticContact CE2-CE1 3.82Å; F12-F196 HydrophobicContact CE2-CE1 3.82Å; F12-F196 HydrophobicContact CG-CD1 4.11Å; F12-F196 AromaticContact CG-CE1 3.82Å; F12-F196 HydrophobicContact CG-CE1 3.82Å; F12-F196 HydrophobicContact CZ-CD1 4.01Å; F12-L200 HydrophobicContact CD1-CD1 4.04Å; F12-L200 HydrophobicContact CD2-CB 4.42Å; F12-L200 HydrophobicContact CE1-CB 4.06Å; F12-L200 HydrophobicContact CE1-CD1 4.11Å; F12-L200 HydrophobicContact CE2-CB 3.8Å; F12-L200 HydrophobicContact CG-CD1 4.31Å; F12-L200 HydrophobicContact CZ-CB 3.62Å; F12-L200 HydrophobicContact CZ-CD1 4.46Å; F12-L203 HydrophobicContact CD1-CD2 4.45Å; F12-L203 HydrophobicContact CE1-CD2 4.27Å
13N90.5Very high82.6Confident16 Ų1665.1 Ų65.19%0.08634%0.339CS..Hα-helixtrans-56.9-34.6-177.9-80.1-1.8000113.4V9 E11 V15 I16 W17 I156 Y192V9-N13 WeakPolarHBondContact O-CB 3.33Å; V9-N13 PolarHBondContact O-N 2.73Å; V9-N13 PolarHBondContact O-OD1 3.42Å; E11-N13 VanDerWaalsContact C-N 3.35Å; E11-N13 PolarHBondContact O-N 3.28Å; N13-V15 VanDerWaalsContact C-N 3.31Å; N13-V15 PolarHBondContact O-N 2.6Å; N13-I16 PolarHBondContact O-N 3.44Å; N13-W17 PolarHBondContact O-N 2.91Å; N13-I156 VanDerWaalsContact ND2-CD1 3.32Å; N13-I156 WeakPolarHBondContact ND2-CD1 3.47Å; N13-Y192 WeakPolarHBondContact OD1-CE1 3.41Å; N13-Y192 PolarHBondContact OD1-OH 2.77Å
14R87.3Confident84.1Confident191 Ų19159.1 Ų59.172%0.72131%0.314SS*.Hα-helixtrans-61.4-42.7176.5-68.6-178.5176.4177.2-1.2111.4E11 F12 G18E11-R14 PolarHBondContact O-N 3.38Å; F12-R14 PolarHBondContact O-N 3.47Å; F12-R14 VanDerWaalsContact O-N 3.15Å; R14-G18 CarbonylContact O-C 2.85Å; R14-G18 WeakPolarHBondContact O-CA 3.46Å; R14-G18 PolarHBondContact O-N 2.96Å
15V91.5Very high85.1Confident20 Ų2060.7 Ų60.712%0.12132%0.317CS..Hα-helixtrans-80.3-32.2179.5-176.90000111.7F12 N13 L200 L203 I204 M207 A213 L214F12-V15 CarbonylContact O-C 3.6Å; F12-V15 PolarHBondContact O-N 3.11Å; N13-V15 VanDerWaalsContact C-N 3.31Å; N13-V15 PolarHBondContact O-N 2.6Å; V15-L200 HydrophobicContact CB-CD1 4.46Å; V15-L200 HydrophobicContact CG2-CD1 3.88Å; V15-L203 HydrophobicContact CG1-CD2 3.81Å; V15-L203 HydrophobicContact CG1-CG 4.41Å; V15-I204 HydrophobicContact CG2-CD1 4.28Å; V15-I204 HydrophobicContact CG2-CG1 4.21Å; V15-M207 HydrophobicContact CG1-CE 4.15Å; V15-M207 HydrophobicContact CG1-SD 3.75Å; V15-A213 CarbonylContact O-C 3.37Å; V15-A213 VanDerWaalsContact O-CA 3.25Å; V15-A213 WeakPolarHBondContact O-CA 3.49Å; V15-L214 HydrophobicContact CG1-CG 4.25Å; V15-L214 PolarHBondContact O-N 3.02Å
16I94.2Very high85.8Confident0 Ų060.7 Ų60.70%032%0.316CS..Hα-helixtrans-70.2-50.5179-66168.1000110.3F12 N13 L191 Y192 L195 L214 I215F12-I16 HydrophobicContact CB-CD1 3.94Å; F12-I16 VanDerWaalsContact O-CG1 3.3Å; F12-I16 WeakPolarHBondContact O-CG1 3.48Å; F12-I16 PolarHBondContact O-N 2.93Å; N13-I16 PolarHBondContact O-N 3.44Å; I16-L191 HydrophobicContact CG2-CD2 4.18Å; I16-Y192 HydrophobicContact CD1-CD1 4.07Å; I16-Y192 HydrophobicContact CD1-CE1 3.54Å; I16-Y192 HydrophobicContact CD1-CE2 4.31Å; I16-L195 HydrophobicContact CD1-CD1 3.45Å; I16-L195 VanDerWaalsContact CD1-CD1 3.45Å; I16-L195 HydrophobicContact CG1-CD1 3.42Å; I16-L195 VanDerWaalsContact CG1-CD1 3.42Å; I16-L214 PolarHBondContact O-N 3.17Å; I16-I215 HydrophobicContact CG2-CD1 3.72Å; I16-I215 HydrophobicContact CG2-CG1 4.24Å; I16-I215 WeakPolarHBondContact O-CB 3.43Å; I16-I215 PolarHBondContact O-N 3.25Å
17W92.2Very high86.6Confident10 Ų1059.2 Ų59.24%0.03831%0.308CS..Hα-helixtrans-109.8-1.5-167.2-54.9103.6000114.2N13 G19 V22 L26 F27 W30 F152 L188 Y192 I215N13-W17 PolarHBondContact O-N 2.91Å; W17-G19 VanDerWaalsContact C-N 3.28Å; W17-G19 PolarHBondContact O-N 3.42Å; W17-V22 HydrophobicContact CB-CG2 3.61Å; W17-V22 HydrophobicContact CD2-CG1 3.97Å; W17-V22 HydrophobicContact CD2-CG2 3.97Å; W17-V22 HydrophobicContact CE3-CG1 3.72Å; W17-V22 HydrophobicContact CE3-CG2 4.5Å; W17-V22 HydrophobicContact CG-CG1 4.43Å; W17-V22 HydrophobicContact CG-CG2 3.59Å; W17-V22 HydrophobicContact CZ3-CG1 4.17Å; W17-L26 HydrophobicContact CE3-CD2 3.6Å; W17-L26 HydrophobicContact CH2-CD2 4.4Å; W17-L26 HydrophobicContact CZ3-CD2 3.26Å; W17-F27 HydrophobicContact CH2-CD2 4.36Å; W17-F27 HydrophobicContact CZ2-CD2 4.4Å; W17-W30 HydrophobicContact CH2-CB 4.21Å; W17-W30 HydrophobicContact CH2-CD2 4.49Å; W17-W30 HydrophobicContact CH2-CG 4.11Å; W17-W30 HydrophobicContact CZ3-CG 4.42Å; W17-F152 AromaticContact CD1-CZ 3.88Å; W17-F152 AromaticContact CE2-CE2 3.93Å; W17-F152 HydrophobicContact CZ2-CE2 4.22Å; W17-F152 AromaticContact NE1-CE2 3.72Å; W17-F152 AromaticContact NE1-CZ 3.72Å; W17-L188 HydrophobicContact CH2-CD2 3.82Å; W17-L188 HydrophobicContact CZ2-CD2 3.7Å; W17-Y192 PolarHBondContact NE1-OH 2.87Å; W17-I215 HydrophobicContact CD2-CD1 4.39Å; W17-I215 HydrophobicContact CE3-CB 4.19Å; W17-I215 HydrophobicContact CE3-CD1 3.86Å; W17-I215 HydrophobicContact CE3-CG2 4.16Å; W17-I215 HydrophobicContact CH2-CD1 3.69Å; W17-I215 HydrophobicContact CZ2-CD1 4.21Å; W17-I215 HydrophobicContact CZ3-CB 4.34Å; W17-I215 HydrophobicContact CZ3-CD1 3.46Å; W17-I215 VanDerWaalsContact CZ3-CD1 3.46Å; W17-I215 HydrophobicContact CZ3-CG1 4.49Å; W17-I215 HydrophobicContact CZ3-CG2 4.01Å
18G86.6Confident87.3Confident39 Ų3962.8 Ų62.840%0.40231%0.314SS..SBendtrans72.215.6-178.100000114.7R14R14-G18 CarbonylContact O-C 2.85Å; R14-G18 WeakPolarHBondContact O-CA 3.46Å; R14-G18 PolarHBondContact O-N 2.96Å
19G78.9Confident87.7Confident28 Ų2862.7 Ų62.729%0.28931%0.313SS..SBendtrans158.6-173-179.100000114.6W17W17-G19 VanDerWaalsContact C-N 3.28Å; W17-G19 PolarHBondContact O-N 3.42Å
20S69.4Low88.1Confident91 Ų9162.7 Ų62.764%0.63631%0.313SS*.SBendtrans-82.6-25.8176.251.40000113.6V22S20-V22 PolarHBondContact O-N 2.94Å
21D76.4Confident88.6Confident136 Ų13655.7 Ų55.773%0.72729%0.29SS*.  trans-101.272.6-165.3-61.1-1.3000110.2K23D21-K23 PolarHBondContact O-N 3.3Å
22V85.3Confident89Confident22 Ų2250.6 Ų50.613%0.13327%0.266CS..  trans-71.6119.6179.1-170.10000109.7W17 S20 T24 L26 F27 F152W17-V22 HydrophobicContact CB-CG2 3.61Å; W17-V22 HydrophobicContact CD2-CG1 3.97Å; W17-V22 HydrophobicContact CD2-CG2 3.97Å; W17-V22 HydrophobicContact CE3-CG1 3.72Å; W17-V22 HydrophobicContact CE3-CG2 4.5Å; W17-V22 HydrophobicContact CG-CG1 4.43Å; W17-V22 HydrophobicContact CG-CG2 3.59Å; W17-V22 HydrophobicContact CZ3-CG1 4.17Å; S20-V22 PolarHBondContact O-N 2.94Å; V22-T24 PolarHBondContact O-N 3.25Å; V22-L26 HydrophobicContact CG1-CD2 4.08Å; V22-F27 HydrophobicContact CG1-CB 4Å; V22-F152 HydrophobicContact CB-CD1 4.44Å; V22-F152 HydrophobicContact CB-CD2 4.38Å; V22-F152 HydrophobicContact CB-CE1 4.42Å; V22-F152 HydrophobicContact CB-CE2 4.36Å; V22-F152 HydrophobicContact CB-CG 4.42Å; V22-F152 HydrophobicContact CB-CZ 4.38Å; V22-F152 HydrophobicContact CG2-CD1 4.18Å; V22-F152 HydrophobicContact CG2-CD2 4.37Å; V22-F152 HydrophobicContact CG2-CE1 3.69Å; V22-F152 HydrophobicContact CG2-CE2 3.91Å; V22-F152 HydrophobicContact CG2-CG 4.5Å; V22-F152 HydrophobicContact CG2-CZ 3.54Å
23K88.2Confident89.3Confident118 Ų11851 Ų5151%0.51327%0.271SS..  trans-56129.4175.3-69.3177.9-176.3162.90110.4D21 D25 L26 F27 P217D21-K23 PolarHBondContact O-N 3.3Å; K23-D25 VanDerWaalsContact C-N 3.31Å; K23-D25 PolarHBondContact O-N 3.35Å; K23-L26 HydrophobicContact CB-CB 4.03Å; K23-L26 WeakPolarHBondContact O-CB 3.48Å; K23-L26 PolarHBondContact O-N 3.41Å; K23-F27 PolarHBondContact O-N 2.88Å; K23-P217 PolarHBondContact NZ-O 3.02Å
24T89.5Confident89.6Confident45 Ų4550.4 Ų50.428%0.27627%0.267SS..Hα-helixtrans-56.8-42-175.3-540000113.2V22 L26 F27 K28 G148V22-T24 PolarHBondContact O-N 3.25Å; T24-L26 VanDerWaalsContact C-N 3.33Å; T24-F27 PolarHBondContact O-N 3.2Å; T24-K28 HydrophobicContact CG2-CD 4.19Å; T24-K28 HydrophobicContact CG2-CG 4.49Å; T24-K28 WeakPolarHBondContact O-CB 3.49Å; T24-K28 VanDerWaalsContact O-CG 3.29Å; T24-K28 WeakPolarHBondContact O-CG 3.5Å; T24-K28 PolarHBondContact O-N 3.47Å; T24-G148 WeakPolarHBondContact OG1-CA 3.42Å
25D89.9Confident90.1Very high115 Ų11543.6 Ų43.662%0.61525%0.249SC*.Hα-helixtrans-70.9-32.7-179.3-63-31.5000112K23 R29K23-D25 VanDerWaalsContact C-N 3.31Å; K23-D25 PolarHBondContact O-N 3.35Å; D25-R29 WeakPolarHBondContact O-CG 3.45Å; D25-R29 PolarHBondContact O-N 2.8Å
26L91.6Very high90.4Very high7 Ų743.9 Ų43.94%0.03725%0.249CC..Hα-helixtrans-65.6-49.5172.4-174.9159.1000110.1W17 V22 K23 T24 K28 R29 I215 D216W17-L26 HydrophobicContact CE3-CD2 3.6Å; W17-L26 HydrophobicContact CH2-CD2 4.4Å; W17-L26 HydrophobicContact CZ3-CD2 3.26Å; V22-L26 HydrophobicContact CG1-CD2 4.08Å; K23-L26 HydrophobicContact CB-CB 4.03Å; K23-L26 WeakPolarHBondContact O-CB 3.48Å; K23-L26 PolarHBondContact O-N 3.41Å; T24-L26 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 2.96Å; L26-R29 WeakPolarHBondContact O-CB 3.07Å; L26-R29 PolarHBondContact O-N 2.72Å; L26-I215 HydrophobicContact CD2-CG2 4.13Å; L26-D216 WeakPolarHBondContact CD1-O 3.29Å
27F93.7Very high90.5Very high6 Ų644 Ų443%0.02625%0.249CC..Hα-helixtrans-58.1-46.2176.8175.1-116.7000112.1W17 V22 K23 T24 R29 W30 C31 F152 F155 Y185 L188W17-F27 HydrophobicContact CH2-CD2 4.36Å; W17-F27 HydrophobicContact CZ2-CD2 4.4Å; V22-F27 HydrophobicContact CG1-CB 4Å; K23-F27 PolarHBondContact O-N 2.88Å; T24-F27 PolarHBondContact O-N 3.2Å; F27-R29 VanDerWaalsContact C-N 3.27Å; F27-R29 PolarHBondContact O-N 3.42Å; F27-W30 PolarHBondContact O-N 3.07Å; F27-C31 WeakPolarHBondContact CE1-SG 3.41Å; F27-C31 WeakPolarHBondContact CZ-SG 3.38Å; F27-C31 PolarHBondContact O-N 3.13Å; F27-C31 PolarHBondContact O-SG 3.45Å; F27-F152 HydrophobicContact CD1-CB 4.22Å; F27-F152 HydrophobicContact CD1-CD2 4.37Å; F27-F152 AromaticContact CD2-CD2 3.48Å; F27-F152 HydrophobicContact CD2-CD2 3.48Å; F27-F152 VanDerWaalsContact CD2-CD2 3.48Å; F27-F152 HydrophobicContact CD2-CE2 4.04Å; F27-F152 HydrophobicContact CE1-CB 4.37Å; F27-F152 HydrophobicContact CE1-CD2 4.49Å; F27-F152 AromaticContact CE2-CD2 3.62Å; F27-F152 HydrophobicContact CE2-CD2 3.62Å; F27-F152 HydrophobicContact CE2-CE2 4.18Å; F27-F152 HydrophobicContact CG-CB 4.42Å; F27-F152 AromaticContact CG-CD2 3.89Å; F27-F152 HydrophobicContact CG-CD2 3.89Å; F27-F152 HydrophobicContact CZ-CD2 4.15Å; F27-F155 HydrophobicContact CE1-CB 4.34Å; F27-F155 HydrophobicContact CE2-CB 4.18Å; F27-F155 AromaticContact CE2-CD1 3.67Å; F27-F155 HydrophobicContact CE2-CD1 3.67Å; F27-F155 HydrophobicContact CE2-CE1 4.27Å; F27-F155 AromaticContact CE2-CG 3.94Å; F27-F155 HydrophobicContact CE2-CG 3.94Å; F27-F155 HydrophobicContact CZ-CB 3.47Å; F27-F155 VanDerWaalsContact CZ-CB 3.47Å; F27-F155 AromaticContact CZ-CD1 3.88Å; F27-F155 HydrophobicContact CZ-CD1 3.88Å; F27-F155 HydrophobicContact CZ-CD2 4.49Å; F27-F155 AromaticContact CZ-CG 3.69Å; F27-F155 HydrophobicContact CZ-CG 3.69Å; F27-Y185 HydrophobicContact CE1-CE1 4.48Å; F27-Y185 AromaticContact CZ-CE1 3.97Å; F27-Y185 HydrophobicContact CZ-CE1 3.97Å; F27-L188 HydrophobicContact CD2-CD1 4.21Å; F27-L188 HydrophobicContact CE2-CD1 3.6Å; F27-L188 HydrophobicContact CZ-CD1 4.38Å
28K93.3Very high90.6Very high127 Ų12748 Ų4855%0.55228%0.277SS*.Hα-helixtrans-57-38178.2-79.2173.7-179.4168.50112.9T24 L26 W30 C31T24-K28 HydrophobicContact CG2-CD 4.19Å; T24-K28 HydrophobicContact CG2-CG 4.49Å; T24-K28 WeakPolarHBondContact O-CB 3.49Å; T24-K28 VanDerWaalsContact O-CG 3.29Å; T24-K28 WeakPolarHBondContact O-CG 3.5Å; T24-K28 PolarHBondContact O-N 3.47Å; L26-K28 PolarHBondContact O-N 2.96Å; K28-W30 PolarHBondContact O-N 3.42Å; K28-C31 WeakPolarHBondContact O-CB 3.06Å; K28-C31 PolarHBondContact O-N 3.15Å; K28-C31 VanDerWaalsContact O-N 3.09Å
29R93.5Very high91Very high62 Ų6248.4 Ų48.423%0.23427%0.271CS..Hα-helixtrans-64.8-25.8178-77.5-176.9-55.6126.1-15114D25 L26 F27 Q32 T48 G49 P51 H219D25-R29 WeakPolarHBondContact O-CG 3.45Å; D25-R29 PolarHBondContact O-N 2.8Å; L26-R29 WeakPolarHBondContact O-CB 3.07Å; L26-R29 PolarHBondContact O-N 2.72Å; F27-R29 VanDerWaalsContact C-N 3.27Å; F27-R29 PolarHBondContact O-N 3.42Å; R29-Q32 PolarHBondContact O-NE2 2.62Å; R29-T48 WeakPolarHBondContact CA-OG1 3.26Å; R29-T48 PolarHBondContact O-OG1 3.08Å; R29-G49 VanDerWaalsContact CB-O 3.26Å; R29-G49 WeakPolarHBondContact CB-O 3.4Å; R29-G49 VanDerWaalsContact CD-O 3.23Å; R29-G49 WeakPolarHBondContact CD-O 3.3Å; R29-G49 PolarHBondContact NH1-O 2.82Å; R29-P51 WeakPolarHBondContact O-CD 3.32Å; R29-H219 PolarHBondContact NH1-O 2.78Å; R29-H219 VanDerWaalsContact NH1-O 3.11Å; R29-H219 PolarHBondContact NH2-O 3.4Å
30W95.5Very high91.8Very high0 Ų048.8 Ų48.80%027%0.266CS..Hα-helixtrans-88.7-12.9175-76.275.7000112.9W17 F27 K28 Q32 G50 P51 I54 L188 L191 I215 G220 L226W17-W30 HydrophobicContact CH2-CB 4.21Å; W17-W30 HydrophobicContact CH2-CD2 4.49Å; W17-W30 HydrophobicContact CH2-CG 4.11Å; W17-W30 HydrophobicContact CZ3-CG 4.42Å; F27-W30 PolarHBondContact O-N 3.07Å; K28-W30 PolarHBondContact O-N 3.42Å; W30-Q32 VanDerWaalsContact C-N 3.25Å; W30-Q32 PolarHBondContact O-N 2.86Å; W30-G50 WeakPolarHBondContact CZ2-O 3.26Å; W30-P51 HydrophobicContact CD2-CB 3.87Å; W30-P51 HydrophobicContact CE3-CB 3.63Å; W30-P51 HydrophobicContact CG-CB 4.46Å; W30-P51 HydrophobicContact CH2-CB 4.37Å; W30-P51 HydrophobicContact CZ3-CB 3.89Å; W30-I54 HydrophobicContact CZ3-CG1 4.03Å; W30-L188 HydrophobicContact CB-CD1 4.01Å; W30-L188 HydrophobicContact CB-CD2 3.86Å; W30-L188 HydrophobicContact CB-CG 3.93Å; W30-L188 HydrophobicContact CE3-CD2 4.05Å; W30-L188 HydrophobicContact CG-CD2 4.49Å; W30-L188 WeakPolarHBondContact O-CG 3.48Å; W30-L191 HydrophobicContact CE3-CD2 4.38Å; W30-L191 HydrophobicContact CZ3-CD2 3.97Å; W30-I215 HydrophobicContact CD2-CD1 3.85Å; W30-I215 HydrophobicContact CE3-CD1 3.94Å; W30-I215 HydrophobicContact CH2-CD1 3.64Å; W30-I215 HydrophobicContact CH2-CG1 3.79Å; W30-I215 HydrophobicContact CZ2-CB 4.37Å; W30-I215 HydrophobicContact CZ2-CD1 3.54Å; W30-I215 HydrophobicContact CZ2-CG1 3.59Å; W30-I215 HydrophobicContact CZ2-CG2 3.92Å; W30-I215 HydrophobicContact CZ3-CD1 3.85Å; W30-I215 HydrophobicContact CZ3-CG1 4.47Å; W30-G220 PolarHBondContact NE1-O 3.11Å; W30-L226 HydrophobicContact CH2-CD2 4.32Å
31C95.4Very high93.1Very high19 Ų1947.9 Ų47.913%0.12825%0.25CS..  trans-7771.2177.4-62.20000111.8F27 K28 K184 Y185F27-C31 WeakPolarHBondContact CE1-SG 3.41Å; F27-C31 WeakPolarHBondContact CZ-SG 3.38Å; F27-C31 PolarHBondContact O-N 3.13Å; F27-C31 PolarHBondContact O-SG 3.45Å; K28-C31 WeakPolarHBondContact O-CB 3.06Å; K28-C31 PolarHBondContact O-N 3.15Å; K28-C31 VanDerWaalsContact O-N 3.09Å; C31-K184 CarbonylContact C-O 3.55Å; C31-K184 VanDerWaalsContact CA-O 3.29Å; C31-K184 WeakPolarHBondContact CA-O 3.25Å; C31-K184 HydrophobicContact CB-CG 4.13Å; C31-Y185 HydrophobicContact CB-CD1 4.26Å; C31-Y185 HydrophobicContact CB-CE1 4.15Å; C31-Y185 VanDerWaalsContact SG-CE1 3.58Å
32Q95.7Very high94.1Very high8 Ų841.4 Ų41.44%0.03722%0.216CC..  trans-136.6159169.762.1-167.3-7400112.1R29 W30 T48 P51 K184 G186 V187R29-Q32 PolarHBondContact O-NE2 2.62Å; W30-Q32 VanDerWaalsContact C-N 3.25Å; W30-Q32 PolarHBondContact O-N 2.86Å; Q32-T48 PolarHBondContact NE2-O 3.43Å; Q32-T48 PolarHBondContact NE2-OG1 3.12Å; Q32-T48 VanDerWaalsContact NE2-OG1 3.12Å; Q32-P51 HydrophobicContact CG-CG 4.12Å; Q32-K184 CarbonylContact C-O 3.5Å; Q32-K184 VanDerWaalsContact CA-O 3.3Å; Q32-K184 WeakPolarHBondContact CA-O 3.44Å; Q32-K184 PolarHBondContact N-O 2.9Å; Q32-G186 PolarHBondContact O-N 3.37Å; Q32-V187 HydrophobicContact CG-CB 4.42Å; Q32-V187 HydrophobicContact CG-CG2 4.06Å; Q32-V187 VanDerWaalsContact O-CB 3.28Å; Q32-V187 WeakPolarHBondContact O-CB 3.32Å; Q32-V187 WeakPolarHBondContact O-CG2 3.38Å; Q32-V187 PolarHBondContact O-N 3.1Å
33G96.5Very high94.7Very high11 Ų1140.4 Ų40.411%0.11321%0.209CC..  trans-99.1173.6172.700000111.9S183G33-S183 WeakPolarHBondContact CA-O 3.23Å; G33-S183 PolarHBondContact N-O 3.14Å
34F97.9Very high95.2Very high4 Ų434.8 Ų34.82%0.01819%0.185CC..  trans-79.3123.3168.7-65.2-88.9000109.6L44 I54 T58 L86 L90 I181 V187 F190F34-L44 HydrophobicContact CB-CD2 4.39Å; F34-L44 HydrophobicContact CD1-CD1 4.03Å; F34-L44 HydrophobicContact CD1-CD2 4.28Å; F34-L44 HydrophobicContact CE1-CD1 4.44Å; F34-I54 HydrophobicContact CE1-CG2 4.2Å; F34-I54 HydrophobicContact CZ-CG2 3.71Å; F34-T58 HydrophobicContact CE1-CG2 4.06Å; F34-L86 HydrophobicContact CB-CD1 4.23Å; F34-L86 HydrophobicContact CB-CD2 3.56Å; F34-L86 HydrophobicContact CD1-CD1 3.9Å; F34-L86 HydrophobicContact CE1-CD1 4.49Å; F34-L86 HydrophobicContact CG-CD1 4.11Å; F34-L86 HydrophobicContact CG-CD2 4.21Å; F34-L90 HydrophobicContact CE1-CD2 4.03Å; F34-L90 HydrophobicContact CE2-CD1 4.43Å; F34-L90 HydrophobicContact CE2-CD2 4.08Å; F34-L90 HydrophobicContact CZ-CD2 3.66Å; F34-I181 HydrophobicContact CB-CG2 4.11Å; F34-I181 HydrophobicContact CD2-CG2 3.6Å; F34-I181 HydrophobicContact CE2-CG2 4.42Å; F34-I181 HydrophobicContact CG-CG2 4.19Å; F34-I181 PolarHBondContact N-O 3.5Å; F34-V187 HydrophobicContact CD1-CG2 4.45Å; F34-V187 HydrophobicContact CD2-CG2 4.13Å; F34-V187 HydrophobicContact CE1-CG2 4.26Å; F34-V187 HydrophobicContact CE2-CB 4.48Å; F34-V187 HydrophobicContact CE2-CG2 3.94Å; F34-V187 HydrophobicContact CG-CG2 4.41Å; F34-V187 HydrophobicContact CZ-CG2 4.01Å; F34-F190 HydrophobicContact CE2-CB 3.9Å; F34-F190 HydrophobicContact CE2-CG 4.3Å; F34-F190 HydrophobicContact CZ-CB 4.2Å; F34-F190 HydrophobicContact CZ-CD1 4.03Å; F34-F190 HydrophobicContact CZ-CG 4.24Å
35S96.4Very high95.6Very high47 Ų4733.1 Ų33.133%0.32918%0.175SC..  trans-139147.3174.562.50000109.3L44 V45S35-L44 CarbonylContact O-C 3.37Å; S35-L44 WeakPolarHBondContact O-CA 3.35Å; S35-V45 PolarHBondContact O-N 2.89Å
36F97.5Very high95.9Very high27 Ų2727.8 Ų27.812%0.11815%0.146CC..EExtended strand (participates in β ladder)trans-95.9151.8177.1-73.9-81.9000110.6F41 A43 L44 I62 N82 L86F36-F41 WeakPolarHBondContact CD1-O 3.37Å; F36-F41 WeakPolarHBondContact CE1-O 3.46Å; F36-F41 WeakPolarHBondContact CG-O 3.4Å; F36-A43 CarbonylContact C-O 3.58Å; F36-A43 WeakPolarHBondContact CA-O 3.49Å; F36-L44 HydrophobicContact CD1-CD2 4.02Å; F36-L44 HydrophobicContact CD2-CD2 4.4Å; F36-L44 HydrophobicContact CE1-CD2 3.77Å; F36-L44 HydrophobicContact CE1-CG 4.17Å; F36-L44 HydrophobicContact CE2-CD2 4.17Å; F36-L44 HydrophobicContact CG-CD2 4.34Å; F36-L44 HydrophobicContact CZ-CD2 3.86Å; F36-I62 HydrophobicContact CE1-CD1 4Å; F36-I62 HydrophobicContact CZ-CD1 3.99Å; F36-N82 HydrophobicContact CD1-CB 4.44Å; F36-N82 HydrophobicContact CD2-CB 3.71Å; F36-N82 HydrophobicContact CE1-CB 4.38Å; F36-N82 HydrophobicContact CE2-CB 3.65Å; F36-N82 VanDerWaalsContact CE2-O 3.32Å; F36-N82 WeakPolarHBondContact CE2-O 3.45Å; F36-N82 HydrophobicContact CG-CB 4.11Å; F36-N82 HydrophobicContact CZ-CB 3.98Å; F36-N82 WeakPolarHBondContact CZ-O 3.4Å; F36-L86 HydrophobicContact CE2-CB 3.89Å; F36-L86 HydrophobicContact CE2-CD2 4.18Å; F36-L86 HydrophobicContact CZ-CB 3.87Å
37S96.9Very high96Very high1 Ų131.1 Ų31.11%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-60.5134.7172-178.40000109.7V39 E40 A43 V416S37-V39 PolarHBondContact O-N 2.74Å; S37-V39 VanDerWaalsContact O-N 3.1Å; S37-V39 WeakPolarHBondContact OG-CG2 3.49Å; S37-E40 CarbonylContact O-C 3.57Å; S37-E40 PolarHBondContact O-N 3.5Å; S37-A43 PolarHBondContact N-O 3.33Å; S37-V416 WeakPolarHBondContact CB-O 3.29Å; S37-V416 PolarHBondContact OG-O 3.44Å
38P94.3Very high95.9Very high95 Ų9533.5 Ų33.562%0.61719%0.185SC*.THydrogen-bonded Turntrans-69.5-6.5178.330.2-36.3000113.1
39V94.7Very high95.7Very high47 Ų4728.9 Ų28.929%0.28517%0.173SC..THydrogen-bonded Turntrans-115.3-8.6-179.9-66.40000113.1S37 R415 R417S37-V39 PolarHBondContact O-N 2.74Å; S37-V39 VanDerWaalsContact O-N 3.1Å; S37-V39 WeakPolarHBondContact OG-CG2 3.49Å; V39-R415 HydrophobicContact CG2-CB 4.02Å; V39-R417 HydrophobicContact CG2-CG 3.76Å
40E95.7Very high95.6Very high37 Ų3726 Ų2617%0.17316%0.163CC..EExtended strand (participates in β ladder)trans-147.792.1178.9-71.1-68.2175.600108.4S37 S42 A43 R417 Y418S37-E40 CarbonylContact O-C 3.57Å; S37-E40 PolarHBondContact O-N 3.5Å; E40-S42 PolarHBondContact O-N 2.85Å; E40-A43 HydrophobicContact CB-CB 3.76Å; E40-A43 PolarHBondContact O-N 3.15Å; E40-R417 HydrophobicContact CG-CB 4.1Å; E40-R417 HydrophobicContact CG-CG 3.8Å; E40-Y418 HydrophobicContact CB-CE2 4.46Å; E40-Y418 HydrophobicContact CG-CD2 4.33Å
41F97.3Very high95.6Very high72 Ų7226 Ų2632%0.31616%0.163SC..EExtended strand (participates in β ladder)trans-70.5-3.7-171.5-59.1-66.4000114.5F36 I77 D79 N82F36-F41 WeakPolarHBondContact CD1-O 3.37Å; F36-F41 WeakPolarHBondContact CE1-O 3.46Å; F36-F41 WeakPolarHBondContact CG-O 3.4Å; F41-I77 HydrophobicContact CB-CG2 4.33Å; F41-D79 HydrophobicContact CD1-CB 3.85Å; F41-D79 HydrophobicContact CE1-CB 3.79Å; F41-D79 HydrophobicContact CG-CB 4.29Å; F41-D79 HydrophobicContact CZ-CB 4.17Å; F41-N82 HydrophobicContact CB-CB 4.42Å; F41-N82 WeakPolarHBondContact O-CB 3.45Å
42S97.9Very high95.7Very high0 Ų025.2 Ų25.20%016%0.158CC..EExtended strand (participates in β ladder)trans-101.2-3.4170.460.50000113.7E40 Q59 I62 L74 Y418E40-S42 PolarHBondContact O-N 2.85Å; S42-Q59 PolarHBondContact O-NE2 2.91Å; S42-Q59 PolarHBondContact O-OE1 3.25Å; S42-I62 WeakPolarHBondContact O-CG2 3.43Å; S42-L74 PolarHBondContact OG-O 2.78Å; S42-Y418 VanDerWaalsContact C-OH 3.23Å; S42-Y418 WeakPolarHBondContact CB-OH 3.21Å; S42-Y418 PolarHBondContact O-OH 3.42Å; S42-Y418 VanDerWaalsContact OG-CE2 3.27Å; S42-Y418 WeakPolarHBondContact OG-CE2 3.4Å; S42-Y418 PolarHBondContact OG-OH 3.46Å
43A98.3Very high95.8Very high0 Ų024.9 Ų24.90%016%0.156CC..EExtended strand (participates in β ladder)trans-105.3119.5-177.400000111.7F36 S37 E40 Y404 V416 Y418F36-A43 CarbonylContact C-O 3.58Å; F36-A43 WeakPolarHBondContact CA-O 3.49Å; S37-A43 PolarHBondContact N-O 3.33Å; E40-A43 HydrophobicContact CB-CB 3.76Å; E40-A43 PolarHBondContact O-N 3.15Å; A43-Y404 HydrophobicContact CB-CD2 4.07Å; A43-Y404 HydrophobicContact CB-CE2 4.08Å; A43-V416 HydrophobicContact CB-CG1 3.98Å; A43-Y418 HydrophobicContact CB-CE1 4.44Å; A43-Y418 HydrophobicContact CB-CE2 4.15Å
44L98.4Very high95.9Very high1 Ų124.3 Ų24.31%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-70.1148.7175.8-68.3173.2000112F34 S35 F36 I55 T58 I62 L86 Y404F34-L44 HydrophobicContact CB-CD2 4.39Å; F34-L44 HydrophobicContact CD1-CD1 4.03Å; F34-L44 HydrophobicContact CD1-CD2 4.28Å; F34-L44 HydrophobicContact CE1-CD1 4.44Å; S35-L44 CarbonylContact O-C 3.37Å; S35-L44 WeakPolarHBondContact O-CA 3.35Å; F36-L44 HydrophobicContact CD1-CD2 4.02Å; F36-L44 HydrophobicContact CD2-CD2 4.4Å; F36-L44 HydrophobicContact CE1-CD2 3.77Å; F36-L44 HydrophobicContact CE1-CG 4.17Å; F36-L44 HydrophobicContact CE2-CD2 4.17Å; F36-L44 HydrophobicContact CG-CD2 4.34Å; F36-L44 HydrophobicContact CZ-CD2 3.86Å; L44-I55 HydrophobicContact CB-CG2 3.97Å; L44-I55 HydrophobicContact CD1-CG2 4.37Å; L44-T58 HydrophobicContact CD1-CG2 3.76Å; L44-I62 HydrophobicContact CD1-CD1 3.79Å; L44-I62 HydrophobicContact CD2-CD1 4.36Å; L44-I62 HydrophobicContact CG-CD1 3.91Å; L44-L86 HydrophobicContact CD2-CD1 4.28Å; L44-Y404 WeakPolarHBondContact O-CE2 3.5Å; L44-Y404 PolarHBondContact O-OH 3.03Å
45V97.8Very high95.9Very high10 Ų1024.2 Ų24.26%0.06115%0.15CC..  trans-102.2133.5173.5179.50000109.6S35 E408 V416S35-V45 PolarHBondContact O-N 2.89Å; V45-E408 HydrophobicContact CG1-CG 4.08Å; V45-V416 HydrophobicContact CB-CG2 4.46Å; V45-V416 HydrophobicContact CG1-CG2 4.33Å; V45-V416 HydrophobicContact CG2-CB 4.27Å; V45-V416 HydrophobicContact CG2-CG2 4.05Å
46Q96.7Very high96Very high3 Ų322.1 Ų22.11%0.01414%0.135CC..BIsolated β-bridgetrans-105.9108.7167.8178.6179.4-36.100108.9T48 C52 I55 H293 G406 L407Q46-T48 WeakPolarHBondContact CG-O 3.2Å; Q46-T48 PolarHBondContact NE2-O 2.89Å; Q46-T48 PolarHBondContact O-N 3.01Å; Q46-C52 VanDerWaalsContact OE1-CA 3.25Å; Q46-I55 HydrophobicContact CB-CD1 3.69Å; Q46-I55 HydrophobicContact CB-CG2 4.4Å; Q46-I55 HydrophobicContact CG-CD1 3.73Å; Q46-H293 PolarHBondContact OE1-CE1 3.4Å; Q46-G406 WeakPolarHBondContact CA-O 3.47Å; Q46-G406 WeakPolarHBondContact CB-O 3.33Å; Q46-G406 PolarHBondContact N-O 3.1Å; Q46-L407 HydrophobicContact CB-CD2 4.23Å; Q46-L407 HydrophobicContact CG-CD2 3.83Å
47S92.6Very high96Very high77 Ų7720.9 Ų20.954%0.53813%0.13SC..  trans-71.3-31.2-176.1-51.90000113
48T91.4Very high96.1Very high55 Ų5520.8 Ų20.834%0.33713%0.13SC..SBendtrans-144153.2-17749.20000111.9R29 Q32 Q46R29-T48 WeakPolarHBondContact CA-OG1 3.26Å; R29-T48 PolarHBondContact O-OG1 3.08Å; Q32-T48 PolarHBondContact NE2-O 3.43Å; Q32-T48 PolarHBondContact NE2-OG1 3.12Å; Q32-T48 VanDerWaalsContact NE2-OG1 3.12Å; Q46-T48 WeakPolarHBondContact CG-O 3.2Å; Q46-T48 PolarHBondContact NE2-O 2.89Å; Q46-T48 PolarHBondContact O-N 3.01Å
49G90Very high96.3Very high30 Ų3016.3 Ų16.331%0.30910%0.1SC..SBendtrans-64.9139.5175.200000113R29R29-G49 VanDerWaalsContact CB-O 3.26Å; R29-G49 WeakPolarHBondContact CB-O 3.4Å; R29-G49 VanDerWaalsContact CD-O 3.23Å; R29-G49 WeakPolarHBondContact CD-O 3.3Å; R29-G49 PolarHBondContact NH1-O 2.82Å
50G90.7Very high96.5Very high1 Ų114 Ų141%0.019%0.087CC..SBendtrans138.3-71.5178.800000112.5W30 C52 G220W30-G50 WeakPolarHBondContact CZ2-O 3.26Å; G50-C52 PolarHBondContact O-N 3.42Å; G50-G220 WeakPolarHBondContact CA-O 3.32Å
51P95.9Very high96.7Very high0 Ų012.7 Ų12.70%08%0.081CC..THydrogen-bonded Turntrans-76.418.2-174.129.5-33.4000115.2R29 W30 Q32 A53 I54 I55 V187R29-P51 WeakPolarHBondContact O-CD 3.32Å; W30-P51 HydrophobicContact CD2-CB 3.87Å; W30-P51 HydrophobicContact CE3-CB 3.63Å; W30-P51 HydrophobicContact CG-CB 4.46Å; W30-P51 HydrophobicContact CH2-CB 4.37Å; W30-P51 HydrophobicContact CZ3-CB 3.89Å; Q32-P51 HydrophobicContact CG-CG 4.12Å; P51-A53 PolarHBondContact O-N 3.48Å; P51-A53 VanDerWaalsContact O-N 3.1Å; P51-I54 PolarHBondContact O-N 2.88Å; P51-I55 HydrophobicContact CB-CD1 4.49Å; P51-I55 HydrophobicContact CG-CD1 4.19Å; P51-I55 PolarHBondContact O-N 3.21Å; P51-I55 VanDerWaalsContact O-N 3.11Å; P51-V187 HydrophobicContact CB-CG1 3.69Å
52C97Very high96.8Very high4 Ų49.2 Ų9.23%0.0277%0.066CC..Hα-helixtrans-54.4-30.7-179.861.40000113Q46 G50 I54 I55 A56 L294Q46-C52 VanDerWaalsContact OE1-CA 3.25Å; G50-C52 PolarHBondContact O-N 3.42Å; C52-I54 PolarHBondContact O-N 2.62Å; C52-I55 PolarHBondContact O-N 3.35Å; C52-A56 WeakPolarHBondContact O-CA 3.49Å; C52-A56 WeakPolarHBondContact O-CB 3.46Å; C52-A56 PolarHBondContact O-N 3.24Å; C52-L294 HydrophobicContact CB-CB 4.15Å
53A97.3Very high96.8Very high0 Ų09.2 Ų9.20%07%0.066CC..Hα-helixtrans-59.7-42.9173.700000112.9P51 T57 A222 I227 L230 L294P51-A53 PolarHBondContact O-N 3.48Å; P51-A53 VanDerWaalsContact O-N 3.1Å; A53-T57 VanDerWaalsContact O-CB 3.25Å; A53-T57 WeakPolarHBondContact O-CB 3.36Å; A53-T57 WeakPolarHBondContact O-CG2 3.39Å; A53-T57 PolarHBondContact O-N 3.12Å; A53-T57 PolarHBondContact O-OG1 3.28Å; A53-A222 HydrophobicContact CB-CB 3.26Å; A53-I227 HydrophobicContact CB-CG1 3.99Å; A53-L230 HydrophobicContact CB-CD1 4.23Å; A53-L294 HydrophobicContact CB-CD1 4.03Å
54I98.4Very high96.8Very high0 Ų09.6 Ų9.60%07%0.067CC..Hα-helixtrans-72.2-45177.7-58.5-66.8000110.5W30 F34 P51 C52 T57 T58 V187 F190 L191 L230W30-I54 HydrophobicContact CZ3-CG1 4.03Å; F34-I54 HydrophobicContact CE1-CG2 4.2Å; F34-I54 HydrophobicContact CZ-CG2 3.71Å; P51-I54 PolarHBondContact O-N 2.88Å; C52-I54 PolarHBondContact O-N 2.62Å; I54-T57 PolarHBondContact O-OG1 3.4Å; I54-T57 VanDerWaalsContact O-OG1 3.14Å; I54-T58 VanDerWaalsContact O-CB 3.27Å; I54-T58 WeakPolarHBondContact O-CB 3.41Å; I54-T58 PolarHBondContact O-N 3.28Å; I54-T58 PolarHBondContact O-OG1 3.05Å; I54-V187 HydrophobicContact CB-CG1 3.86Å; I54-V187 HydrophobicContact CG1-CG1 4.21Å; I54-V187 HydrophobicContact CG2-CG1 3.81Å; I54-F190 HydrophobicContact CG2-CD1 3.75Å; I54-F190 HydrophobicContact CG2-CE1 4.39Å; I54-L191 HydrophobicContact CD1-CB 4.05Å; I54-L191 HydrophobicContact CD1-CD1 3.96Å; I54-L191 HydrophobicContact CG1-CB 4.42Å; I54-L230 HydrophobicContact CD1-CD1 3.74Å; I54-L230 HydrophobicContact CD1-CD2 4.01Å
55I98.4Very high96.7Very high2 Ų29.8 Ų9.81%0.017%0.068CC..Hα-helixtrans-71.8-47.3-173.7-64.3171.4000111.1L44 Q46 P51 C52 T58 Q59 V187 Y404L44-I55 HydrophobicContact CB-CG2 3.97Å; L44-I55 HydrophobicContact CD1-CG2 4.37Å; Q46-I55 HydrophobicContact CB-CD1 3.69Å; Q46-I55 HydrophobicContact CB-CG2 4.4Å; Q46-I55 HydrophobicContact CG-CD1 3.73Å; P51-I55 HydrophobicContact CB-CD1 4.49Å; P51-I55 HydrophobicContact CG-CD1 4.19Å; P51-I55 PolarHBondContact O-N 3.21Å; P51-I55 VanDerWaalsContact O-N 3.11Å; C52-I55 PolarHBondContact O-N 3.35Å; I55-T58 PolarHBondContact O-N 2.88Å; I55-Q59 WeakPolarHBondContact O-CB 3.33Å; I55-Q59 PolarHBondContact O-N 2.93Å; I55-V187 HydrophobicContact CD1-CG2 4.5Å; I55-V187 HydrophobicContact CG1-CG2 4.31Å; I55-Y404 WeakPolarHBondContact CG2-OH 3.14Å
56A98.5Very high96.7Very high2 Ų29.3 Ų9.32%0.0177%0.065CC..Hα-helixtrans-68.3-37.3-179.300000112.2C52 Q59 A60 I287 L294 V296C52-A56 WeakPolarHBondContact O-CA 3.49Å; C52-A56 WeakPolarHBondContact O-CB 3.46Å; C52-A56 PolarHBondContact O-N 3.24Å; A56-Q59 PolarHBondContact O-N 2.85Å; A56-A60 WeakPolarHBondContact O-CB 3.4Å; A56-A60 PolarHBondContact O-N 3.27Å; A56-I287 HydrophobicContact CB-CG2 4.48Å; A56-L294 HydrophobicContact CB-CB 3.75Å; A56-V296 HydrophobicContact CB-CG2 4.07Å; A56-V296 WeakPolarHBondContact O-CG2 3.26Å
57T98.6Very high96.8Very high1 Ų110.2 Ų10.21%0.0067%0.07CC..Hα-helixtrans-69.2-38.2175.556.90000111.9A53 I54 A60 T61 L230 I231 I287A53-T57 VanDerWaalsContact O-CB 3.25Å; A53-T57 WeakPolarHBondContact O-CB 3.36Å; A53-T57 WeakPolarHBondContact O-CG2 3.39Å; A53-T57 PolarHBondContact O-N 3.12Å; A53-T57 PolarHBondContact O-OG1 3.28Å; I54-T57 PolarHBondContact O-OG1 3.4Å; I54-T57 VanDerWaalsContact O-OG1 3.14Å; T57-A60 PolarHBondContact O-N 3.37Å; T57-T61 PolarHBondContact O-N 3.02Å; T57-T61 PolarHBondContact O-OG1 3.35Å; T57-L230 HydrophobicContact CG2-CB 3.65Å; T57-L230 HydrophobicContact CG2-CD1 4.12Å; T57-I231 HydrophobicContact CG2-CG1 4.04Å; T57-I287 HydrophobicContact CG2-CD1 3.54Å
58T98.8Very high97Very high0 Ų08 Ų80%05%0.051CC..Hα-helixtrans-64.1-44.5171.7-57.10000110.5F34 L44 I54 I55 A60 T61 I62 L86 A89 L90F34-T58 HydrophobicContact CE1-CG2 4.06Å; L44-T58 HydrophobicContact CD1-CG2 3.76Å; I54-T58 VanDerWaalsContact O-CB 3.27Å; I54-T58 WeakPolarHBondContact O-CB 3.41Å; I54-T58 PolarHBondContact O-N 3.28Å; I54-T58 PolarHBondContact O-OG1 3.05Å; I55-T58 PolarHBondContact O-N 2.88Å; T58-A60 PolarHBondContact O-N 3.34Å; T58-T61 CarbonylContact O-C 3.59Å; T58-T61 WeakPolarHBondContact O-CA 3.49Å; T58-T61 WeakPolarHBondContact O-CB 3.45Å; T58-T61 PolarHBondContact O-N 3.23Å; T58-I62 HydrophobicContact CG2-CD1 4.21Å; T58-I62 WeakPolarHBondContact O-CG1 3.3Å; T58-I62 PolarHBondContact O-N 3.49Å; T58-L86 HydrophobicContact CG2-CD1 3.78Å; T58-A89 HydrophobicContact CG2-CB 4.22Å; T58-L90 HydrophobicContact CG2-CD2 3.8Å
59Q98.8Very high97.2Very high0 Ų09 Ų90%05%0.053CC..Hα-helixtrans-61.7-43.8177.1-175.864.635.100112.1S42 I55 A56 T61 I62 M63 V296 Y404 Y418S42-Q59 PolarHBondContact O-NE2 2.91Å; S42-Q59 PolarHBondContact O-OE1 3.25Å; I55-Q59 WeakPolarHBondContact O-CB 3.33Å; I55-Q59 PolarHBondContact O-N 2.93Å; A56-Q59 PolarHBondContact O-N 2.85Å; Q59-T61 PolarHBondContact O-N 2.89Å; Q59-I62 WeakPolarHBondContact O-CB 3.36Å; Q59-I62 PolarHBondContact O-N 3.18Å; Q59-I62 VanDerWaalsContact O-N 3.17Å; Q59-M63 HydrophobicContact CG-CG 4.4Å; Q59-M63 HydrophobicContact CG-SD 4.24Å; Q59-M63 VanDerWaalsContact O-CG 3.32Å; Q59-M63 WeakPolarHBondContact O-CG 3.32Å; Q59-M63 PolarHBondContact O-N 2.91Å; Q59-V296 HydrophobicContact CB-CG2 4.13Å; Q59-V296 HydrophobicContact CG-CG2 4.24Å; Q59-Y404 HydrophobicContact CB-CD1 4.17Å; Q59-Y404 HydrophobicContact CB-CE1 3.78Å; Q59-Y404 HydrophobicContact CG-CD1 3.54Å; Q59-Y404 HydrophobicContact CG-CD2 3.82Å; Q59-Y404 HydrophobicContact CG-CE1 3.56Å; Q59-Y404 HydrophobicContact CG-CE2 3.81Å; Q59-Y404 HydrophobicContact CG-CG 3.66Å; Q59-Y418 PolarHBondContact NE2-OH 3.2Å
60A98.9Very high97.5Very high0 Ų010.6 Ų10.60%05%0.05CC..Hα-helixtrans-58.7-37.9174.300000111.1A56 T57 T58 M63 Y64 T260 V285 I287 V296A56-A60 WeakPolarHBondContact O-CB 3.4Å; A56-A60 PolarHBondContact O-N 3.27Å; T57-A60 PolarHBondContact O-N 3.37Å; T58-A60 PolarHBondContact O-N 3.34Å; A60-M63 PolarHBondContact O-N 3.38Å; A60-Y64 WeakPolarHBondContact O-CD1 3.16Å; A60-Y64 PolarHBondContact O-N 2.9Å; A60-Y64 VanDerWaalsContact O-N 3.08Å; A60-T260 HydrophobicContact CB-CG2 4Å; A60-V285 HydrophobicContact CB-CG1 3.91Å; A60-I287 HydrophobicContact CB-CD1 4.09Å; A60-I287 HydrophobicContact CB-CG1 3.75Å; A60-V296 HydrophobicContact CB-CG1 3.84Å; A60-V296 HydrophobicContact CB-CG2 4.14Å
61T98.7Very high97.8Very high8 Ų818.9 Ų18.95%0.0499%0.086CC..Hα-helixtrans-66-43.1175.6-57.20000112.8T57 T58 Q59 Y64 E65 A89 R92T57-T61 PolarHBondContact O-N 3.02Å; T57-T61 PolarHBondContact O-OG1 3.35Å; T58-T61 CarbonylContact O-C 3.59Å; T58-T61 WeakPolarHBondContact O-CA 3.49Å; T58-T61 WeakPolarHBondContact O-CB 3.45Å; T58-T61 PolarHBondContact O-N 3.23Å; Q59-T61 PolarHBondContact O-N 2.89Å; T61-Y64 VanDerWaalsContact CA-CD1 3.47Å; T61-Y64 HydrophobicContact CG2-CD1 4.46Å; T61-Y64 HydrophobicContact CG2-CE1 3.58Å; T61-Y64 WeakPolarHBondContact O-CD1 3.4Å; T61-E65 WeakPolarHBondContact O-CB 3.23Å; T61-E65 PolarHBondContact O-N 3.36Å; T61-A89 HydrophobicContact CG2-CB 3.6Å; T61-R92 HydrophobicContact CG2-CB 4.09Å
62I98.7Very high97.8Very high0 Ų022.5 Ų22.50%010%0.103CC..Hα-helixtrans-58.5-48.3172.8-70.6172.3000110.3F36 S42 L44 T58 Q59 Y64 E65 V66 I85 L86 A89F36-I62 HydrophobicContact CE1-CD1 4Å; F36-I62 HydrophobicContact CZ-CD1 3.99Å; S42-I62 WeakPolarHBondContact O-CG2 3.43Å; L44-I62 HydrophobicContact CD1-CD1 3.79Å; L44-I62 HydrophobicContact CD2-CD1 4.36Å; L44-I62 HydrophobicContact CG-CD1 3.91Å; T58-I62 HydrophobicContact CG2-CD1 4.21Å; T58-I62 WeakPolarHBondContact O-CG1 3.3Å; T58-I62 PolarHBondContact O-N 3.49Å; Q59-I62 WeakPolarHBondContact O-CB 3.36Å; Q59-I62 PolarHBondContact O-N 3.18Å; Q59-I62 VanDerWaalsContact O-N 3.17Å; I62-Y64 PolarHBondContact O-N 3.37Å; I62-E65 PolarHBondContact O-N 3.4Å; I62-V66 HydrophobicContact CG2-CG2 4.34Å; I62-V66 WeakPolarHBondContact O-CG2 3.45Å; I62-V66 PolarHBondContact O-N 3.03Å; I62-I85 HydrophobicContact CB-CG2 4.19Å; I62-I85 HydrophobicContact CG1-CG2 4Å; I62-I85 HydrophobicContact CG2-CG2 3.67Å; I62-L86 HydrophobicContact CD1-CD1 4.35Å; I62-A89 HydrophobicContact CG1-CB 3.65Å
63M98.7Very high97.7Very high0 Ų027.3 Ų27.30%013%0.128CC..Hα-helixtrans-62.4-45.7-176.6-70.417983.800112.1Q59 A60 E65 L67 L74 V285 V296 A298 I402 Y418Q59-M63 HydrophobicContact CG-CG 4.4Å; Q59-M63 HydrophobicContact CG-SD 4.24Å; Q59-M63 VanDerWaalsContact O-CG 3.32Å; Q59-M63 WeakPolarHBondContact O-CG 3.32Å; Q59-M63 PolarHBondContact O-N 2.91Å; A60-M63 PolarHBondContact O-N 3.38Å; M63-E65 VanDerWaalsContact C-N 3.33Å; M63-E65 PolarHBondContact O-N 3.03Å; M63-L67 VanDerWaalsContact O-CB 3.31Å; M63-L67 WeakPolarHBondContact O-CB 3.4Å; M63-L67 VanDerWaalsContact O-CG 3.29Å; M63-L67 WeakPolarHBondContact O-CG 3.43Å; M63-L67 PolarHBondContact O-N 3.35Å; M63-L74 HydrophobicContact CE-CD1 3.71Å; M63-L74 HydrophobicContact CG-CD1 4.34Å; M63-L74 HydrophobicContact CG-CD2 4.18Å; M63-V285 HydrophobicContact CB-CG1 4.28Å; M63-V296 HydrophobicContact SD-CB 4.03Å; M63-V296 HydrophobicContact SD-CG1 3.49Å; M63-V296 WeakPolarHBondContact SD-CG1 3.39Å; M63-A298 HydrophobicContact CE-CB 3.39Å; M63-A298 HydrophobicContact SD-CB 4.39Å; M63-I402 HydrophobicContact CE-CB 4.19Å; M63-I402 HydrophobicContact CE-CG2 3.81Å; M63-Y418 HydrophobicContact CE-CD1 4.29Å; M63-Y418 HydrophobicContact CE-CE1 3.92Å; M63-Y418 HydrophobicContact SD-CE1 4.21Å
64Y97.9Very high97.7Very high7 Ų727.7 Ų27.73%0.02713%0.13CC..Hα-helixtrans-70.4-32.2177.683.8-109.1000112.5A60 T61 I62 F68 I69 R92 K259 T260 Y283A60-Y64 WeakPolarHBondContact O-CD1 3.16Å; A60-Y64 PolarHBondContact O-N 2.9Å; A60-Y64 VanDerWaalsContact O-N 3.08Å; T61-Y64 VanDerWaalsContact CA-CD1 3.47Å; T61-Y64 HydrophobicContact CG2-CD1 4.46Å; T61-Y64 HydrophobicContact CG2-CE1 3.58Å; T61-Y64 WeakPolarHBondContact O-CD1 3.4Å; I62-Y64 PolarHBondContact O-N 3.37Å; Y64-F68 WeakPolarHBondContact O-CB 3.26Å; Y64-F68 PolarHBondContact O-N 3.25Å; Y64-I69 HydrophobicContact CD2-CG1 4.35Å; Y64-I69 HydrophobicContact CE2-CG1 4.48Å; Y64-I69 PolarHBondContact O-N 3.07Å; Y64-R92 WeakPolarHBondContact OH-CD 3.23Å; Y64-K259 HydrophobicContact CE1-CB 4.22Å; Y64-K259 HydrophobicContact CE1-CD 4.47Å; Y64-K259 HydrophobicContact CE2-CD 4.18Å; Y64-K259 WeakPolarHBondContact OH-CD 3.27Å; Y64-T260 HydrophobicContact CD1-CG2 3.4Å; Y64-T260 HydrophobicContact CE1-CG2 3.88Å; Y64-T260 HydrophobicContact CG-CG2 4.41Å; Y64-Y283 AromaticContact CD2-CD2 3.75Å; Y64-Y283 HydrophobicContact CD2-CD2 3.75Å; Y64-Y283 AromaticContact CD2-CE2 3.79Å; Y64-Y283 HydrophobicContact CD2-CE2 3.79Å; Y64-Y283 HydrophobicContact CD2-CG 4.47Å; Y64-Y283 HydrophobicContact CE2-CD2 4.44Å; Y64-Y283 HydrophobicContact CE2-CE2 4.19Å; Y64-Y283 AromaticContact CG-CD2 3.9Å; Y64-Y283 HydrophobicContact CG-CD2 3.9Å; Y64-Y283 HydrophobicContact CG-CE2 4.41Å; Y64-Y283 HydrophobicContact CG-CG 4.43Å
65E97.3Very high97.5Very high6 Ų631.4 Ų31.43%0.02816%0.161CC..Iπ-helixtrans-62.6-50.7175.2175.3157.8153.200111.1T61 I62 M63 I69 R70 S88 R92T61-E65 WeakPolarHBondContact O-CB 3.23Å; T61-E65 PolarHBondContact O-N 3.36Å; I62-E65 PolarHBondContact O-N 3.4Å; M63-E65 VanDerWaalsContact C-N 3.33Å; M63-E65 PolarHBondContact O-N 3.03Å; E65-I69 HydrophobicContact CG-CB 4.33Å; E65-I69 CarbonylContact O-C 3.56Å; E65-I69 WeakPolarHBondContact O-CA 3.21Å; E65-I69 VanDerWaalsContact O-CB 3.27Å; E65-I69 WeakPolarHBondContact O-CB 3.47Å; E65-I69 PolarHBondContact O-N 2.85Å; E65-R70 HydrophobicContact CG-CG 4.28Å; E65-R70 PolarHBondContact O-N 2.88Å; E65-R70 IonicContact OE1-CZ 3.89Å; E65-R70 IonicContact OE1-NE 2.7Å; E65-R70 PolarHBondContact OE1-NE 3.17Å; E65-R70 IonicContact OE1-NH2 2.77Å; E65-R70 PolarHBondContact OE1-NH2 2.97Å; E65-S88 WeakPolarHBondContact OE1-CB 3.42Å; E65-S88 PolarHBondContact OE1-OG 2.89Å; E65-S88 VanDerWaalsContact OE2-CB 3.26Å; E65-S88 WeakPolarHBondContact OE2-CB 3.38Å; E65-S88 PolarHBondContact OE2-OG 3.41Å; E65-R92 IonicContact OE2-CZ 3.22Å; E65-R92 IonicContact OE2-NE 3.75Å; E65-R92 PolarHBondContact OE2-NE 2.92Å; E65-R92 IonicContact OE2-NH2 3.77Å
66V98.2Very high97.4Very high0 Ų035.8 Ų35.80%018%0.184CC..Iπ-helixtrans-63.6-52-178.9173.40000110.8I62 K71 Q72 L74 I77 I85I62-V66 HydrophobicContact CG2-CG2 4.34Å; I62-V66 WeakPolarHBondContact O-CG2 3.45Å; I62-V66 PolarHBondContact O-N 3.03Å; V66-K71 PolarHBondContact O-N 3.02Å; V66-Q72 HydrophobicContact CG1-CB 4.15Å; V66-Q72 PolarHBondContact O-N 3.06Å; V66-L74 HydrophobicContact CB-CD2 3.84Å; V66-L74 HydrophobicContact CG1-CD2 3.8Å; V66-L74 HydrophobicContact CG1-CG 4.35Å; V66-L74 HydrophobicContact CG2-CD2 4.33Å; V66-I77 HydrophobicContact CG1-CD1 3.85Å; V66-I77 HydrophobicContact CG1-CG1 3.9Å; V66-I77 HydrophobicContact CG2-CD1 4.06Å; V66-I77 HydrophobicContact CG2-CG1 4.06Å; V66-I85 HydrophobicContact CG2-CD1 4.01Å; V66-I85 HydrophobicContact CG2-CG2 4.04Å
67L97.9Very high97.3Very high22 Ų2236 Ų3612%0.11519%0.185CC..Iπ-helixtrans-71.1-38-172.8-67.3172.2000113.3M63 K71 L74 A298 I402M63-L67 VanDerWaalsContact O-CB 3.31Å; M63-L67 WeakPolarHBondContact O-CB 3.4Å; M63-L67 VanDerWaalsContact O-CG 3.29Å; M63-L67 WeakPolarHBondContact O-CG 3.43Å; M63-L67 PolarHBondContact O-N 3.35Å; L67-K71 WeakPolarHBondContact O-CA 3.47Å; L67-L74 HydrophobicContact CD1-CD1 4.26Å; L67-L74 HydrophobicContact CD2-CD1 4.36Å; L67-L74 HydrophobicContact CD2-CG 4.08Å; L67-L74 HydrophobicContact CG-CD1 4.41Å; L67-L74 HydrophobicContact CG-CG 4.25Å; L67-A298 HydrophobicContact CD1-CB 4.06Å; L67-I402 HydrophobicContact CD1-CD1 4.48Å
68F97.3Very high97.2Very high31 Ų3138.5 Ų38.514%0.13620%0.201CC..Iπ-helixtrans-116.3-29.8-168.5-55.7-72.1000114.9Y64 Y283 P284 V285 S299 M302Y64-F68 WeakPolarHBondContact O-CB 3.26Å; Y64-F68 PolarHBondContact O-N 3.25Å; F68-Y283 HydrophobicContact CB-CD1 3.49Å; F68-Y283 VanDerWaalsContact CB-CD1 3.49Å; F68-Y283 HydrophobicContact CB-CE1 3.48Å; F68-Y283 VanDerWaalsContact CB-CE1 3.48Å; F68-Y283 HydrophobicContact CB-CG 4.44Å; F68-Y283 HydrophobicContact CD1-CD1 4.14Å; F68-Y283 AromaticContact CD2-CD1 3.53Å; F68-Y283 HydrophobicContact CD2-CD1 3.53Å; F68-Y283 HydrophobicContact CD2-CE1 4.39Å; F68-Y283 AromaticContact CD2-CG 3.87Å; F68-Y283 HydrophobicContact CD2-CG 3.87Å; F68-Y283 HydrophobicContact CE2-CD1 4.36Å; F68-Y283 AromaticContact CG-CD1 3.43Å; F68-Y283 HydrophobicContact CG-CD1 3.43Å; F68-Y283 VanDerWaalsContact CG-CD1 3.43Å; F68-Y283 AromaticContact CG-CE1 3.97Å; F68-Y283 HydrophobicContact CG-CE1 3.97Å; F68-Y283 HydrophobicContact CG-CG 4.24Å; F68-P284 HydrophobicContact CE1-CG 4.08Å; F68-P284 HydrophobicContact CE2-CG 4.09Å; F68-P284 HydrophobicContact CZ-CG 3.42Å; F68-P284 VanDerWaalsContact CZ-CG 3.42Å; F68-V285 HydrophobicContact CE2-CG2 3.98Å; F68-S299 WeakPolarHBondContact CZ-O 3.33Å; F68-M302 HydrophobicContact CD1-CG 4.26Å; F68-M302 HydrophobicContact CD1-SD 3.78Å; F68-M302 HydrophobicContact CE1-CG 3.97Å; F68-M302 HydrophobicContact CE1-SD 3.65Å; F68-M302 HydrophobicContact CZ-SD 4.35Å
69I96Very high96.9Very high75 Ų7543.4 Ų43.439%0.38523%0.227SC..Iπ-helixtrans-87.1-53177.5-52.3-59.4000109.7Y64 E65 Y283Y64-I69 HydrophobicContact CD2-CG1 4.35Å; Y64-I69 HydrophobicContact CE2-CG1 4.48Å; Y64-I69 PolarHBondContact O-N 3.07Å; E65-I69 HydrophobicContact CG-CB 4.33Å; E65-I69 CarbonylContact O-C 3.56Å; E65-I69 WeakPolarHBondContact O-CA 3.21Å; E65-I69 VanDerWaalsContact O-CB 3.27Å; E65-I69 WeakPolarHBondContact O-CB 3.47Å; E65-I69 PolarHBondContact O-N 2.85Å; I69-Y283 WeakPolarHBondContact CD1-OH 3.41Å
70R95.8Very high96.6Very high63 Ų6349 Ų4924%0.23826%0.26CS..Iπ-helixtrans-80.5-22.6177.9-60-177.9179.4-134.6-9112.4E65 Q72 E84E65-R70 HydrophobicContact CG-CG 4.28Å; E65-R70 PolarHBondContact O-N 2.88Å; E65-R70 IonicContact OE1-CZ 3.89Å; E65-R70 IonicContact OE1-NE 2.7Å; E65-R70 PolarHBondContact OE1-NE 3.17Å; E65-R70 IonicContact OE1-NH2 2.77Å; E65-R70 PolarHBondContact OE1-NH2 2.97Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 HydrophobicContact CB-CG 4.16Å; R70-Q72 PolarHBondContact O-N 3.42Å; R70-E84 IonicContact CZ-OE1 2.66Å; R70-E84 IonicContact NH1-OE1 2.63Å; R70-E84 IonicContact NH2-OE1 2.9Å; R70-E84 PolarHBondContact NH2-OE1 2.89Å
71K96Very high96.2Very high175 Ų17551.2 Ų51.276%0.76127%0.273SS*.  trans56.444.2-177.8-56.8-178.6-179.8-1790112.2V66 L67V66-K71 PolarHBondContact O-N 3.02Å; L67-K71 WeakPolarHBondContact O-CA 3.47Å
72Q95.7Very high96.1Very high76 Ų7651.5 Ų51.536%0.35527%0.274SS..  trans-115.4159179.3-68.6175.7-5100110V66 R70V66-Q72 HydrophobicContact CG1-CB 4.15Å; V66-Q72 PolarHBondContact O-N 3.06Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 HydrophobicContact CB-CG 4.16Å; R70-Q72 PolarHBondContact O-N 3.42Å
73N95.7Very high95.9Very high105 Ų10553 Ų5356%0.56128%0.281SS*.  trans-78147.6168.1-54.9-73.2000110A75 D76N73-A75 PolarHBondContact O-N 3.3Å; N73-D76 VanDerWaalsContact CB-OD2 3.29Å; N73-D76 WeakPolarHBondContact CB-OD2 3.38Å; N73-D76 PolarHBondContact ND2-OD2 2.84Å; N73-D76 PolarHBondContact O-N 3.01Å
74L97.3Very high95.7Very high8 Ų858.7 Ų58.74%0.04231%0.308CS..G310 helixtrans-60.9-30.9178-68.8165000113.1S42 M63 V66 L67 D76 I402 Y418S42-L74 PolarHBondContact OG-O 2.78Å; M63-L74 HydrophobicContact CE-CD1 3.71Å; M63-L74 HydrophobicContact CG-CD1 4.34Å; M63-L74 HydrophobicContact CG-CD2 4.18Å; V66-L74 HydrophobicContact CB-CD2 3.84Å; V66-L74 HydrophobicContact CG1-CD2 3.8Å; V66-L74 HydrophobicContact CG1-CG 4.35Å; V66-L74 HydrophobicContact CG2-CD2 4.33Å; L67-L74 HydrophobicContact CD1-CD1 4.26Å; L67-L74 HydrophobicContact CD2-CD1 4.36Å; L67-L74 HydrophobicContact CD2-CG 4.08Å; L67-L74 HydrophobicContact CG-CD1 4.41Å; L67-L74 HydrophobicContact CG-CG 4.25Å; L74-D76 VanDerWaalsContact C-N 3.31Å; L74-I402 HydrophobicContact CD1-CD1 4.01Å; L74-I402 HydrophobicContact CD1-CG2 3.86Å; L74-Y418 HydrophobicContact CB-CD2 4.37Å; L74-Y418 HydrophobicContact CB-CE2 3.81Å; L74-Y418 HydrophobicContact CD1-CD1 4.5Å; L74-Y418 HydrophobicContact CD1-CE1 4.08Å; L74-Y418 HydrophobicContact CD1-CE2 4.27Å; L74-Y418 HydrophobicContact CG-CE2 4.49Å
75A94.7Very high95.7Very high78 Ų7858.4 Ų58.465%0.64531%0.306SS*.G310 helixtrans-75.4-17.117800000113.6N73 I77N73-A75 PolarHBondContact O-N 3.3Å; A75-I77 VanDerWaalsContact C-N 3.31Å
76D95.2Very high95.7Very high95 Ų9558.1 Ų58.151%0.50831%0.305SS..G310 helixtrans-85.4-8.6179.8-61.3-30.3000112.1N73 L74 T78N73-D76 VanDerWaalsContact CB-OD2 3.29Å; N73-D76 WeakPolarHBondContact CB-OD2 3.38Å; N73-D76 PolarHBondContact ND2-OD2 2.84Å; N73-D76 PolarHBondContact O-N 3.01Å; L74-D76 VanDerWaalsContact C-N 3.31Å; D76-T78 PolarHBondContact O-N 3.4Å
77I97.1Very high95.6Very high5 Ų558.7 Ų58.73%0.02631%0.308CS..  trans-69.9129.2178.7-61-48.6000109.9F41 V66 A75 D81 N82 I85F41-I77 HydrophobicContact CB-CG2 4.33Å; V66-I77 HydrophobicContact CG1-CD1 3.85Å; V66-I77 HydrophobicContact CG1-CG1 3.9Å; V66-I77 HydrophobicContact CG2-CD1 4.06Å; V66-I77 HydrophobicContact CG2-CG1 4.06Å; A75-I77 VanDerWaalsContact C-N 3.31Å; I77-D81 HydrophobicContact CG2-CB 4.25Å; I77-N82 HydrophobicContact CG2-CB 4.47Å; I77-I85 HydrophobicContact CB-CD1 4.45Å; I77-I85 HydrophobicContact CD1-CD1 3.61Å; I77-I85 HydrophobicContact CG1-CD1 4.01Å; I77-I85 HydrophobicContact CG2-CD1 3.6Å
78T96Very high95.6Very high55 Ų5559 Ų5934%0.33731%0.312SS..  trans-97.6170.7178.871.90000112.3D76 V80 D81 N82D76-T78 PolarHBondContact O-N 3.4Å; T78-V80 PolarHBondContact O-N 3.01Å; T78-V80 PolarHBondContact OG1-N 3.19Å; T78-D81 PolarHBondContact N-OD2 3.34Å; T78-D81 PolarHBondContact O-N 3.23Å; T78-D81 PolarHBondContact OG1-N 3.27Å; T78-D81 PolarHBondContact OG1-OD2 3.03Å; T78-N82 PolarHBondContact O-N 3.36Å
79D93.1Very high95.6Very high102 Ų10257.5 Ų57.555%0.54531%0.306SS..THydrogen-bonded Turntrans-65-20.3171.964.9-35.2000113.4F41 N82F41-D79 HydrophobicContact CD1-CB 3.85Å; F41-D79 HydrophobicContact CE1-CB 3.79Å; F41-D79 HydrophobicContact CG-CB 4.29Å; F41-D79 HydrophobicContact CZ-CB 4.17Å; D79-N82 PolarHBondContact O-OD1 2.67Å; D79-N82 VanDerWaalsContact O-OD1 3.1Å
80V91.9Very high95.7Very high117 Ų11754 Ų5471%0.70929%0.287SS*.THydrogen-bonded Turntrans-76.4-37.6174.8-177.30000111.3T78T78-V80 PolarHBondContact O-N 3.01Å; T78-V80 PolarHBondContact OG1-N 3.19Å
81D91.8Very high95.8Very high48 Ų4851.3 Ų51.326%0.25728%0.278SS..THydrogen-bonded Turntrans-82.4-27.4-174.8-55.4-55.3000113I77 T78 M83 E84 I85I77-D81 HydrophobicContact CG2-CB 4.25Å; T78-D81 PolarHBondContact N-OD2 3.34Å; T78-D81 PolarHBondContact O-N 3.23Å; T78-D81 PolarHBondContact OG1-N 3.27Å; T78-D81 PolarHBondContact OG1-OD2 3.03Å; D81-M83 VanDerWaalsContact C-N 3.34Å; D81-M83 PolarHBondContact O-N 2.84Å; D81-E84 PolarHBondContact O-N 2.82Å; D81-E84 VanDerWaalsContact O-N 3.15Å; D81-I85 HydrophobicContact CB-CD1 4.03Å; D81-I85 WeakPolarHBondContact O-CG1 3.43Å; D81-I85 PolarHBondContact O-N 3.08Å; D81-I85 VanDerWaalsContact O-N 3.1Å
82N95Very high95.8Very high14 Ų1446 Ų468%0.07525%0.253CS..Hα-helixtrans-61.1-36.9-164.568.314.5000114.2F36 F41 I77 T78 D79 I85 L86F36-N82 HydrophobicContact CD1-CB 4.44Å; F36-N82 HydrophobicContact CD2-CB 3.71Å; F36-N82 HydrophobicContact CE1-CB 4.38Å; F36-N82 HydrophobicContact CE2-CB 3.65Å; F36-N82 VanDerWaalsContact CE2-O 3.32Å; F36-N82 WeakPolarHBondContact CE2-O 3.45Å; F36-N82 HydrophobicContact CG-CB 4.11Å; F36-N82 HydrophobicContact CZ-CB 3.98Å; F36-N82 WeakPolarHBondContact CZ-O 3.4Å; F41-N82 HydrophobicContact CB-CB 4.42Å; F41-N82 WeakPolarHBondContact O-CB 3.45Å; I77-N82 HydrophobicContact CG2-CB 4.47Å; T78-N82 PolarHBondContact O-N 3.36Å; D79-N82 PolarHBondContact O-OD1 2.67Å; D79-N82 VanDerWaalsContact O-OD1 3.1Å; N82-I85 PolarHBondContact O-N 3.01Å; N82-L86 WeakPolarHBondContact O-CB 3.45Å; N82-L86 PolarHBondContact O-N 3.33Å
83M94.6Very high95.9Very high32 Ų3242.4 Ų42.416%0.15824%0.237CC..Hα-helixtrans-71.9-34.7-178.5-66-51.5-56.700111.2D81 L86 L87 L178 K182D81-M83 VanDerWaalsContact C-N 3.34Å; D81-M83 PolarHBondContact O-N 2.84Å; M83-L86 HydrophobicContact CE-CD2 4.03Å; M83-L87 WeakPolarHBondContact O-CB 3.49Å; M83-L87 PolarHBondContact O-N 3.01Å; M83-L178 HydrophobicContact CB-CD2 4.49Å; M83-L178 HydrophobicContact CE-CD2 3.71Å; M83-K182 HydrophobicContact CE-CD 3.68Å; M83-K182 HydrophobicContact CE-CG 3.76Å; M83-K182 HydrophobicContact SD-CD 3.88Å; M83-K182 HydrophobicContact SD-CG 4.4Å
84E95.4Very high96Very high119 Ų11937.4 Ų37.456%0.55621%0.21SC*.Hα-helixtrans-67.6-42.3174.9-166.4-159.9119.700110.7R70 D81 L87 S88R70-E84 IonicContact CZ-OE1 2.66Å; R70-E84 IonicContact NH1-OE1 2.63Å; R70-E84 IonicContact NH2-OE1 2.9Å; R70-E84 PolarHBondContact NH2-OE1 2.89Å; D81-E84 PolarHBondContact O-N 2.82Å; D81-E84 VanDerWaalsContact O-N 3.15Å; E84-L87 PolarHBondContact O-N 2.76Å; E84-S88 WeakPolarHBondContact O-CB 3.4Å; E84-S88 PolarHBondContact O-N 3.32Å
85I96.9Very high95.9Very high0 Ų040 Ų400%022%0.223CC..Hα-helixtrans-62.4-46175.9-68.2164000110.7I62 V66 I77 D81 N82 S88 A89I62-I85 HydrophobicContact CB-CG2 4.19Å; I62-I85 HydrophobicContact CG1-CG2 4Å; I62-I85 HydrophobicContact CG2-CG2 3.67Å; V66-I85 HydrophobicContact CG2-CD1 4.01Å; V66-I85 HydrophobicContact CG2-CG2 4.04Å; I77-I85 HydrophobicContact CB-CD1 4.45Å; I77-I85 HydrophobicContact CD1-CD1 3.61Å; I77-I85 HydrophobicContact CG1-CD1 4.01Å; I77-I85 HydrophobicContact CG2-CD1 3.6Å; D81-I85 HydrophobicContact CB-CD1 4.03Å; D81-I85 WeakPolarHBondContact O-CG1 3.43Å; D81-I85 PolarHBondContact O-N 3.08Å; D81-I85 VanDerWaalsContact O-N 3.1Å; N82-I85 PolarHBondContact O-N 3.01Å; I85-S88 PolarHBondContact O-N 2.83Å; I85-A89 WeakPolarHBondContact O-CB 3.22Å; I85-A89 PolarHBondContact O-N 3.33Å
86L97.9Very high95.9Very high0 Ų038.6 Ų38.60%021%0.205CC..Hα-helixtrans-58.3-50175.1175.459.7000110.8F34 F36 L44 T58 I62 N82 M83 S88 A89 L90 I181F34-L86 HydrophobicContact CB-CD1 4.23Å; F34-L86 HydrophobicContact CB-CD2 3.56Å; F34-L86 HydrophobicContact CD1-CD1 3.9Å; F34-L86 HydrophobicContact CE1-CD1 4.49Å; F34-L86 HydrophobicContact CG-CD1 4.11Å; F34-L86 HydrophobicContact CG-CD2 4.21Å; F36-L86 HydrophobicContact CE2-CB 3.89Å; F36-L86 HydrophobicContact CE2-CD2 4.18Å; F36-L86 HydrophobicContact CZ-CB 3.87Å; L44-L86 HydrophobicContact CD2-CD1 4.28Å; T58-L86 HydrophobicContact CG2-CD1 3.78Å; I62-L86 HydrophobicContact CD1-CD1 4.35Å; N82-L86 WeakPolarHBondContact O-CB 3.45Å; N82-L86 PolarHBondContact O-N 3.33Å; M83-L86 HydrophobicContact CE-CD2 4.03Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 2.82Å; L86-A89 WeakPolarHBondContact O-CB 3.4Å; L86-A89 PolarHBondContact O-N 3.11Å; L86-A89 VanDerWaalsContact O-N 3.15Å; L86-L90 HydrophobicContact CD1-CD1 4.06Å; L86-L90 HydrophobicContact CD1-CD2 4.24Å; L86-L90 HydrophobicContact CD1-CG 3.96Å; L86-L90 HydrophobicContact CG-CD1 4.06Å; L86-L90 HydrophobicContact CG-CG 4.34Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 3.5Å; L86-I181 HydrophobicContact CD2-CG2 4Å
87L97.3Very high95.8Very high13 Ų1334.2 Ų34.27%0.06818%0.182CC..Hα-helixtrans-58.8-46-179.7-168.6107.2000111.2M83 E84 A89 L90 L91 R171 A174 F175 L178 I181M83-L87 WeakPolarHBondContact O-CB 3.49Å; M83-L87 PolarHBondContact O-N 3.01Å; E84-L87 PolarHBondContact O-N 2.76Å; L87-A89 VanDerWaalsContact C-N 3.31Å; L87-A89 PolarHBondContact O-N 3.19Å; L87-L90 PolarHBondContact O-N 2.95Å; L87-L91 HydrophobicContact CD2-CD1 3.75Å; L87-L91 HydrophobicContact CG-CD1 4.08Å; L87-L91 WeakPolarHBondContact O-CB 3.1Å; L87-L91 WeakPolarHBondContact O-CG 3.18Å; L87-L91 PolarHBondContact O-N 3.35Å; L87-R171 HydrophobicContact CD2-CG 4.29Å; L87-A174 HydrophobicContact CD1-CB 3.66Å; L87-A174 WeakPolarHBondContact CD1-O 3.35Å; L87-A174 HydrophobicContact CG-CB 4.24Å; L87-F175 HydrophobicContact CD1-CB 4.36Å; L87-L178 HydrophobicContact CD1-CD2 3.74Å; L87-L178 HydrophobicContact CD1-CG 4.36Å; L87-I181 HydrophobicContact CD1-CD1 4.46Å
88S97.1Very high95.5Very high28 Ų2835 Ų3520%0.19619%0.187CC..Hα-helixtrans-60.4-42.1176.7-174.70000111.6E65 E84 I85 L86 L91 R92E65-S88 WeakPolarHBondContact OE1-CB 3.42Å; E65-S88 PolarHBondContact OE1-OG 2.89Å; E65-S88 VanDerWaalsContact OE2-CB 3.26Å; E65-S88 WeakPolarHBondContact OE2-CB 3.38Å; E65-S88 PolarHBondContact OE2-OG 3.41Å; E84-S88 WeakPolarHBondContact O-CB 3.4Å; E84-S88 PolarHBondContact O-N 3.32Å; I85-S88 PolarHBondContact O-N 2.83Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 2.82Å; S88-L91 PolarHBondContact O-N 2.92Å; S88-R92 WeakPolarHBondContact O-CB 3.13Å; S88-R92 WeakPolarHBondContact O-CG 3.48Å; S88-R92 PolarHBondContact O-N 3.43Å
89A98.2Very high93.9Very high0 Ų034.8 Ų34.80%019%0.188CC..Hα-helixtrans-62.6-48.3176.200000112.7T58 T61 I62 I85 L86 L87 L91 R92 I93T58-A89 HydrophobicContact CG2-CB 4.22Å; T61-A89 HydrophobicContact CG2-CB 3.6Å; I62-A89 HydrophobicContact CG1-CB 3.65Å; I85-A89 WeakPolarHBondContact O-CB 3.22Å; I85-A89 PolarHBondContact O-N 3.33Å; L86-A89 WeakPolarHBondContact O-CB 3.4Å; L86-A89 PolarHBondContact O-N 3.11Å; L86-A89 VanDerWaalsContact O-N 3.15Å; L87-A89 VanDerWaalsContact C-N 3.31Å; L87-A89 PolarHBondContact O-N 3.19Å; A89-L91 VanDerWaalsContact C-N 3.35Å; A89-L91 PolarHBondContact O-N 2.89Å; A89-R92 PolarHBondContact O-N 3.37Å; A89-I93 PolarHBondContact O-N 3.49Å; A89-I93 VanDerWaalsContact O-N 3.14Å
90L98.3Very high92.2Very high0 Ų036.8 Ų36.80%020%0.199CC..Hα-helixtrans-60.2-44.4177.4-64.2178.3000111.4F34 T58 L86 L87 R92 I93 I94 W107 I181 F190F34-L90 HydrophobicContact CE1-CD2 4.03Å; F34-L90 HydrophobicContact CE2-CD1 4.43Å; F34-L90 HydrophobicContact CE2-CD2 4.08Å; F34-L90 HydrophobicContact CZ-CD2 3.66Å; T58-L90 HydrophobicContact CG2-CD2 3.8Å; L86-L90 HydrophobicContact CD1-CD1 4.06Å; L86-L90 HydrophobicContact CD1-CD2 4.24Å; L86-L90 HydrophobicContact CD1-CG 3.96Å; L86-L90 HydrophobicContact CG-CD1 4.06Å; L86-L90 HydrophobicContact CG-CG 4.34Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 3.5Å; L87-L90 PolarHBondContact O-N 2.95Å; L90-R92 PolarHBondContact O-N 3.49Å; L90-I93 PolarHBondContact O-N 2.97Å; L90-I94 WeakPolarHBondContact O-CG1 3.13Å; L90-I94 PolarHBondContact O-N 3.24Å; L90-W107 HydrophobicContact CB-CH2 4.15Å; L90-W107 HydrophobicContact CD1-CH2 4.18Å; L90-I181 HydrophobicContact CD1-CD1 4.11Å; L90-I181 HydrophobicContact CD1-CG2 3.84Å; L90-F190 HydrophobicContact CB-CD2 4.21Å; L90-F190 HydrophobicContact CB-CE2 3.58Å; L90-F190 HydrophobicContact CB-CZ 3.97Å; L90-F190 HydrophobicContact CD1-CD2 4.41Å; L90-F190 HydrophobicContact CD2-CD1 3.79Å; L90-F190 HydrophobicContact CD2-CD2 3.79Å; L90-F190 HydrophobicContact CD2-CE1 3.6Å; L90-F190 HydrophobicContact CD2-CE2 3.63Å; L90-F190 HydrophobicContact CD2-CG 3.87Å; L90-F190 HydrophobicContact CD2-CZ 3.52Å; L90-F190 HydrophobicContact CG-CD2 4.34Å; L90-F190 HydrophobicContact CG-CE2 4.08Å; L90-F190 HydrophobicContact CG-CZ 4.31Å
91L97.2Very high90.5Very high8 Ų840.5 Ų40.54%0.04220%0.2CC..Hα-helixtrans-61.8-42176.8-71.2170.9000111.9L87 S88 A89 I93 I94 L95 W107 L170 R171 A174L87-L91 HydrophobicContact CD2-CD1 3.75Å; L87-L91 HydrophobicContact CG-CD1 4.08Å; L87-L91 WeakPolarHBondContact O-CB 3.1Å; L87-L91 WeakPolarHBondContact O-CG 3.18Å; L87-L91 PolarHBondContact O-N 3.35Å; S88-L91 PolarHBondContact O-N 2.92Å; A89-L91 VanDerWaalsContact C-N 3.35Å; A89-L91 PolarHBondContact O-N 2.89Å; L91-I93 VanDerWaalsContact C-N 3.28Å; L91-I93 PolarHBondContact O-N 3.17Å; L91-I94 PolarHBondContact O-N 2.81Å; L91-L95 WeakPolarHBondContact O-CB 3.33Å; L91-L95 VanDerWaalsContact O-CG 3.25Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 3.02Å; L91-W107 HydrophobicContact CD2-CZ3 4.39Å; L91-L170 HydrophobicContact CD2-CB 4.46Å; L91-L170 HydrophobicContact CD2-CD2 3.72Å; L91-L170 HydrophobicContact CD2-CG 3.59Å; L91-R171 HydrophobicContact CD1-CB 4Å; L91-R171 HydrophobicContact CD1-CG 3.88Å; L91-A174 HydrophobicContact CD2-CB 4.13Å
92R96.6Very high88.8Confident62 Ų6245.1 Ų45.123%0.23422%0.22CC..Hα-helixtrans-61.5-36.7177.6-74.8170.9-177.6-73.15.6112.4T61 Y64 E65 S88 A89 L90 L96T61-R92 HydrophobicContact CG2-CB 4.09Å; Y64-R92 WeakPolarHBondContact OH-CD 3.23Å; E65-R92 IonicContact OE2-CZ 3.22Å; E65-R92 IonicContact OE2-NE 3.75Å; E65-R92 PolarHBondContact OE2-NE 2.92Å; E65-R92 IonicContact OE2-NH2 3.77Å; S88-R92 WeakPolarHBondContact O-CB 3.13Å; S88-R92 WeakPolarHBondContact O-CG 3.48Å; S88-R92 PolarHBondContact O-N 3.43Å; A89-R92 PolarHBondContact O-N 3.37Å; L90-R92 PolarHBondContact O-N 3.49Å; R92-L96 WeakPolarHBondContact O-CB 3.45Å; R92-L96 PolarHBondContact O-N 3.42Å
93I97.5Very high87.3Confident2 Ų249.2 Ų49.21%0.0125%0.25CC..Hα-helixtrans-69.4-43.7175.6-66.5167.8000110.4A89 L90 L91 L95 L96 V97 F190 V194 L230A89-I93 PolarHBondContact O-N 3.49Å; A89-I93 VanDerWaalsContact O-N 3.14Å; L90-I93 PolarHBondContact O-N 2.97Å; L91-I93 VanDerWaalsContact C-N 3.28Å; L91-I93 PolarHBondContact O-N 3.17Å; I93-L95 VanDerWaalsContact C-N 3.33Å; I93-L95 PolarHBondContact O-N 2.93Å; I93-L96 WeakPolarHBondContact O-CB 3.45Å; I93-L96 PolarHBondContact O-N 3.41Å; I93-L96 VanDerWaalsContact O-N 3.15Å; I93-V97 PolarHBondContact O-N 3.16Å; I93-V97 VanDerWaalsContact O-N 3.13Å; I93-F190 HydrophobicContact CB-CZ 3.98Å; I93-F190 HydrophobicContact CD1-CE1 4.34Å; I93-F190 HydrophobicContact CD1-CZ 4.37Å; I93-F190 HydrophobicContact CG2-CE1 4.18Å; I93-F190 HydrophobicContact CG2-CZ 3.91Å; I93-V194 HydrophobicContact CG2-CG2 3.99Å; I93-L230 HydrophobicContact CG2-CD2 3.85Å
94I96.6Very high86.8Confident0 Ų051.7 Ų51.70%026%0.261CS..Hα-helixtrans-60.4-43.5175.9-64.8-67.7000111.4L90 L91 L96 V97 S98 F105 W107 L170 F190 V194 T197L90-I94 WeakPolarHBondContact O-CG1 3.13Å; L90-I94 PolarHBondContact O-N 3.24Å; L91-I94 PolarHBondContact O-N 2.81Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.38Å; I94-V97 VanDerWaalsContact O-CG2 3.29Å; I94-V97 WeakPolarHBondContact O-CG2 3.15Å; I94-V97 PolarHBondContact O-N 3.26Å; I94-S98 PolarHBondContact O-N 3.36Å; I94-F105 HydrophobicContact CG2-CB 4.35Å; I94-F105 HydrophobicContact CG2-CD1 4.2Å; I94-W107 HydrophobicContact CG1-CZ3 4.36Å; I94-L170 HydrophobicContact CB-CD2 4.26Å; I94-L170 HydrophobicContact CG2-CD1 4.47Å; I94-L170 HydrophobicContact CG2-CD2 3.62Å; I94-F190 HydrophobicContact CD1-CE2 3.91Å; I94-F190 HydrophobicContact CD1-CZ 4.42Å; I94-F190 HydrophobicContact CG1-CE2 3.8Å; I94-F190 HydrophobicContact CG1-CZ 4.34Å; I94-V194 HydrophobicContact CD1-CB 4.41Å; I94-V194 HydrophobicContact CD1-CG2 3.75Å; I94-T197 HydrophobicContact CG2-CG2 4.02Å
95L94.8Very high86.7Confident62 Ų6246.9 Ų46.933%0.32524%0.238SC..Hα-helixtrans-64.9-33.9176.6-67.9173.8000112.5L91 I93 F105 V167L91-L95 WeakPolarHBondContact O-CB 3.33Å; L91-L95 VanDerWaalsContact O-CG 3.25Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 3.02Å; I93-L95 VanDerWaalsContact C-N 3.33Å; I93-L95 PolarHBondContact O-N 2.93Å; L95-F105 HydrophobicContact CD2-CD1 4.4Å; L95-F105 HydrophobicContact CD2-CE1 3.69Å; L95-F105 HydrophobicContact CD2-CZ 3.98Å; L95-V167 HydrophobicContact CD1-CG1 4.16Å; L95-V167 HydrophobicContact CD2-CG1 4.16Å; L95-V167 HydrophobicContact CD2-CG2 3.72Å
96L95.1Very high86.6Confident48 Ų4847 Ų4725%0.25124%0.239SC..Hα-helixtrans-63.9-46.5176.9175.565.8000111.2R92 I93 I94 S98 S99 L230 I231R92-L96 WeakPolarHBondContact O-CB 3.45Å; R92-L96 PolarHBondContact O-N 3.42Å; I93-L96 WeakPolarHBondContact O-CB 3.45Å; I93-L96 PolarHBondContact O-N 3.41Å; I93-L96 VanDerWaalsContact O-N 3.15Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.38Å; L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 3.45Å; L96-S99 PolarHBondContact O-OG 3.15Å; L96-L230 WeakPolarHBondContact CD2-O 3.38Å; L96-I231 WeakPolarHBondContact CD2-O 3.47Å
97V94.6Very high86.5Confident4 Ų447.3 Ų47.32%0.02424%0.24CC..Hα-helixtrans-78.1-12.5-175.6-570000114.3I93 I94 V194 T197 H198 L229I93-V97 PolarHBondContact O-N 3.16Å; I93-V97 VanDerWaalsContact O-N 3.13Å; I94-V97 VanDerWaalsContact O-CG2 3.29Å; I94-V97 WeakPolarHBondContact O-CG2 3.15Å; I94-V97 PolarHBondContact O-N 3.26Å; V97-V194 HydrophobicContact CG1-CG1 3.98Å; V97-V194 HydrophobicContact CG2-CG1 4.18Å; V97-T197 HydrophobicContact CG2-CG2 4.1Å; V97-H198 HydrophobicContact CB-CB 4.17Å; V97-H198 HydrophobicContact CG2-CB 4.45Å; V97-H198 PolarHBondContact O-ND1 2.83Å; V97-L229 HydrophobicContact CB-CD1 4.08Å; V97-L229 HydrophobicContact CG1-CD1 3.68Å; V97-L229 HydrophobicContact CG1-CG 3.96Å
98S90.8Very high86.4Confident20 Ų2046.8 Ų46.814%0.1424%0.238CC..THydrogen-bonded Turntrans-78.1-19.41771720000113.7I94 L96 D100 F105I94-S98 PolarHBondContact O-N 3.36Å; L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 3.45Å; S98-D100 VanDerWaalsContact C-N 3.26Å; S98-D100 PolarHBondContact O-N 2.68Å; S98-F105 VanDerWaalsContact OG-CE1 3.31Å; S98-F105 WeakPolarHBondContact OG-CE1 3.41Å
99S62.4Low86.3Confident52 Ų5248.7 Ų48.736%0.36424%0.241SC..THydrogen-bonded Turntrans-72.324.1-144.1550000119.3L96 R256L96-S99 PolarHBondContact O-OG 3.15Å; S99-R256 PolarHBondContact OG-NH2 3.28Å
100D56.4Low86.2Confident143 Ų14350.4 Ų50.477%0.76525%0.248SC*.THydrogen-bonded Turntrans-152.5-6.5167.9-106.5-28.4000118.5S98S98-D100 VanDerWaalsContact C-N 3.26Å; S98-D100 PolarHBondContact O-N 2.68Å
101R55.7Low85.8Confident196 Ų19653.2 Ų53.274%0.7427%0.266SS*.THydrogen-bonded Turntrans-140.9-2.4-163.5-64.4-168.6-174.3-1652.5120.6
102Q55.9Low85.2Confident145 Ų14558 Ų5868%0.67829%0.289SS*.  trans-168.2138.2171.4-107.215225.900111.1Q104Q102-Q104 PolarHBondContact O-N 3.48Å
103S63.4Low83.9Confident100 Ų10059.5 Ų59.570%0.69930%0.301SS*.SBendtrans-74.419.8-177.9-42.20000114.5
104Q85.3Confident81.6Confident84 Ų8468.4 Ų68.439%0.39334%0.343SS..  trans-122.7121.6-172.5-72.3-176.5-2100110.6Q102 A164Q102-Q104 PolarHBondContact O-N 3.48Å; Q104-A164 WeakPolarHBondContact CA-O 3.36Å
105F92.6Very high79Confident18 Ų1876.5 Ų76.58%0.07938%0.381CS..EExtended strand (participates in β ladder)trans-95.5139.4173.9-47.5-77.5000109.2I94 L95 S98 E163 A164 V167 L170 T197I94-F105 HydrophobicContact CG2-CB 4.35Å; I94-F105 HydrophobicContact CG2-CD1 4.2Å; L95-F105 HydrophobicContact CD2-CD1 4.4Å; L95-F105 HydrophobicContact CD2-CE1 3.69Å; L95-F105 HydrophobicContact CD2-CZ 3.98Å; S98-F105 VanDerWaalsContact OG-CE1 3.31Å; S98-F105 WeakPolarHBondContact OG-CE1 3.41Å; F105-E163 CarbonylContact O-C 3.59Å; F105-E163 WeakPolarHBondContact O-CA 3.38Å; F105-A164 HydrophobicContact CB-CB 4.31Å; F105-A164 HydrophobicContact CD2-CB 4.47Å; F105-A164 WeakPolarHBondContact CD2-O 3.33Å; F105-A164 PolarHBondContact N-O 2.97Å; F105-A164 PolarHBondContact O-N 2.8Å; F105-V167 HydrophobicContact CE2-CG2 4.17Å; F105-V167 HydrophobicContact CZ-CG2 4.04Å; F105-L170 HydrophobicContact CB-CB 4.45Å; F105-L170 HydrophobicContact CB-CD1 3.82Å; F105-L170 HydrophobicContact CB-CD2 3.88Å; F105-L170 HydrophobicContact CB-CG 4.24Å; F105-L170 HydrophobicContact CD1-CD2 4.17Å; F105-L170 HydrophobicContact CD2-CB 4.46Å; F105-L170 HydrophobicContact CD2-CD2 4.43Å; F105-L170 HydrophobicContact CG-CD2 3.9Å; F105-T197 HydrophobicContact CD1-CG2 4.26Å
106C94.3Very high76Confident3 Ų379.2 Ų79.22%0.0240%0.402CS..EExtended strand (participates in β ladder)trans-109.9127.2177-66.90000109.9F162 S193 F196 T197C106-F162 WeakPolarHBondContact CA-O 3.42Å; C106-S193 WeakPolarHBondContact O-CA 3.49Å; C106-S193 WeakPolarHBondContact O-CB 3.28Å; C106-F196 HydrophobicContact CB-CB 3.47Å; C106-F196 VanDerWaalsContact CB-CB 3.47Å; C106-F196 HydrophobicContact CB-CD2 4.48Å; C106-T197 PolarHBondContact N-OG1 2.77Å; C106-T197 PolarHBondContact O-OG1 2.7Å
107W95.9Very high73Confident6 Ų681.5 Ų81.52%0.02343%0.428CS..EExtended strand (participates in β ladder)trans-115.3105.8169.6-165.7-83.5000110.1L90 L91 I94 F162 L170 V173 A174 I181 F190L90-W107 HydrophobicContact CB-CH2 4.15Å; L90-W107 HydrophobicContact CD1-CH2 4.18Å; L91-W107 HydrophobicContact CD2-CZ3 4.39Å; I94-W107 HydrophobicContact CG1-CZ3 4.36Å; W107-F162 HydrophobicContact CB-CB 4.5Å; W107-F162 PolarHBondContact N-O 3.49Å; W107-F162 PolarHBondContact O-N 2.92Å; W107-L170 HydrophobicContact CB-CD1 4.21Å; W107-L170 HydrophobicContact CE3-CD1 3.92Å; W107-V173 HydrophobicContact CB-CG1 4.01Å; W107-V173 HydrophobicContact CG-CG1 4.23Å; W107-A174 HydrophobicContact CD2-CB 4.15Å; W107-A174 HydrophobicContact CE3-CB 3.99Å; W107-A174 HydrophobicContact CH2-CB 3.58Å; W107-A174 HydrophobicContact CZ2-CB 3.77Å; W107-A174 HydrophobicContact CZ3-CB 3.7Å; W107-I181 HydrophobicContact CH2-CD1 4.12Å; W107-I181 HydrophobicContact CZ2-CD1 3.54Å; W107-I181 HydrophobicContact CZ2-CG1 3.88Å; W107-F190 HydrophobicContact CH2-CD2 4.39Å; W107-F190 HydrophobicContact CZ3-CE2 4.48Å
108V95.7Very high70Confident2 Ų285.7 Ų85.71%0.01246%0.457CS..EExtended strand (participates in β ladder)trans-88.9137177.71790000109.7L159 R160 C161 C189 S193 F196V108-L159 HydrophobicContact CG1-CD2 3.76Å; V108-R160 CarbonylContact C-O 3.56Å; V108-R160 VanDerWaalsContact CA-O 3.25Å; V108-R160 WeakPolarHBondContact CA-O 3.4Å; V108-C161 HydrophobicContact CG2-CB 4.14Å; V108-C189 WeakPolarHBondContact O-CB 3.31Å; V108-S193 PolarHBondContact N-OG 2.91Å; V108-S193 PolarHBondContact O-OG 2.78Å; V108-F196 HydrophobicContact CG2-CD2 3.69Å; V108-F196 HydrophobicContact CG2-CE2 4.04Å; V108-F196 HydrophobicContact CG2-CG 4.23Å
109Y95.5Very high67.1Low67 Ų6790.3 Ų90.326%0.26349%0.49SS..EExtended strand (participates in β ladder)trans-142.2164.7176.364.4-82.1000110.3C111 R160 L177Y109-C111 HydrophobicContact CE2-CB 4.45Å; Y109-R160 HydrophobicContact CD1-CB 4.06Å; Y109-R160 HydrophobicContact CD2-CB 4.06Å; Y109-R160 HydrophobicContact CD2-CG 4.5Å; Y109-R160 HydrophobicContact CE1-CB 3.59Å; Y109-R160 HydrophobicContact CE2-CB 3.58Å; Y109-R160 HydrophobicContact CE2-CG 3.89Å; Y109-R160 HydrophobicContact CG-CB 4.29Å; Y109-R160 PolarHBondContact N-O 2.95Å; Y109-R160 PolarHBondContact O-N 3.36Å; Y109-L177 HydrophobicContact CD1-CD1 3.64Å; Y109-L177 HydrophobicContact CD2-CD2 4.07Å; Y109-L177 HydrophobicContact CE1-CD1 4.26Å; Y109-L177 HydrophobicContact CE2-CD2 4.48Å; Y109-L177 HydrophobicContact CG-CD1 3.78Å; Y109-L177 HydrophobicContact CG-CD2 4.11Å
110W94.8Very high65.6Low37 Ų3795.3 Ų95.314%0.1451%0.507CS..EExtended strand (participates in β ladder)trans-111133.5178.9-172.186000110.3E112 K154 F155 G158 Y185 C189W110-E112 HydrophobicContact CH2-CB 3.56Å; W110-E112 HydrophobicContact CH2-CG 3.86Å; W110-E112 HydrophobicContact CZ2-CB 4.35Å; W110-E112 HydrophobicContact CZ3-CB 3.82Å; W110-K154 HydrophobicContact CZ2-CG 4.44Å; W110-K154 PolarHBondContact NE1-O 3.09Å; W110-F155 AromaticContact CD1-CD2 3.83Å; W110-F155 VanDerWaalsContact CD1-O 3.25Å; W110-F155 PolarHBondContact NE1-O 3.33Å; W110-G158 WeakPolarHBondContact CA-O 3.22Å; W110-G158 VanDerWaalsContact CD1-C 3.49Å; W110-Y185 HydrophobicContact CB-CD2 4.12Å; W110-Y185 AromaticContact CD1-CD2 3.94Å; W110-Y185 AromaticContact CD2-CD2 3.43Å; W110-Y185 HydrophobicContact CD2-CD2 3.43Å; W110-Y185 VanDerWaalsContact CD2-CD2 3.43Å; W110-Y185 AromaticContact CD2-CE2 3.69Å; W110-Y185 HydrophobicContact CD2-CE2 3.69Å; W110-Y185 AromaticContact CE2-CD2 3.78Å; W110-Y185 AromaticContact CE2-CE2 3.55Å; W110-Y185 AromaticContact CE3-CD2 3.8Å; W110-Y185 HydrophobicContact CE3-CD2 3.8Å; W110-Y185 HydrophobicContact CE3-CE2 4.03Å; W110-Y185 AromaticContact CG-CD2 3.57Å; W110-Y185 HydrophobicContact CG-CD2 3.57Å; W110-Y185 HydrophobicContact CG-CE2 4.19Å; W110-Y185 HydrophobicContact CG-CG 4.39Å; W110-Y185 HydrophobicContact CH2-CE2 4.11Å; W110-Y185 HydrophobicContact CZ2-CD2 4.41Å; W110-Y185 AromaticContact CZ2-CE2 3.79Å; W110-Y185 HydrophobicContact CZ2-CE2 3.79Å; W110-Y185 HydrophobicContact CZ3-CD2 4.41Å; W110-Y185 HydrophobicContact CZ3-CE2 4.22Å; W110-Y185 AromaticContact NE1-CE2 3.96Å; W110-C189 PolarHBondContact N-SG 3.33Å
111C91.6Very high64.2Low58 Ų5894.1 Ų94.139%0.39251%0.51SS..  trans-127.6131.6174.9-167.60000107.9Y109 D113 G158 R160Y109-C111 HydrophobicContact CE2-CB 4.45Å; C111-D113 PolarHBondContact O-N 3.35Å; C111-G158 PolarHBondContact N-O 3.19Å; C111-G158 VanDerWaalsContact O-CA 3.3Å; C111-G158 WeakPolarHBondContact O-CA 3.5Å; C111-R160 HydrophobicContact CB-CG 4.22Å
112E84.3Confident63Low109 Ų10989.1 Ų89.151%0.50951%0.505SS..  trans-72.8121.7169.3-162.7152.5-142.500107.1W110 E114 K154W110-E112 HydrophobicContact CH2-CB 3.56Å; W110-E112 HydrophobicContact CH2-CG 3.86Å; W110-E112 HydrophobicContact CZ2-CB 4.35Å; W110-E112 HydrophobicContact CZ3-CB 3.82Å; E112-E114 PolarHBondContact O-N 2.91Å; E112-K154 WeakPolarHBondContact OE1-CE 3.44Å; E112-K154 IonicContact OE1-NZ 3.19Å; E112-K154 PolarHBondContact OE1-NZ 3.22Å
113D68.9Low61.8Low94 Ų9489.4 Ų89.450%0.50351%0.51SS..  trans-64.9120.3167.8-74.6-44.6000106.8C111 E115 R160C111-D113 PolarHBondContact O-N 3.35Å; D113-E115 PolarHBondContact O-N 3.13Å; D113-R160 IonicContact OD1-CZ 3.85Å; D113-R160 IonicContact OD1-NH2 2.84Å; D113-R160 PolarHBondContact OD1-NH2 3.1Å; D113-R160 IonicContact OD2-NH2 2.7Å; D113-R160 PolarHBondContact OD2-NH2 3.38Å
114E49.6Very low60.1Low189 Ų18993.4 Ų93.488%0.88352%0.517SS*.  trans-55.8113.9167.8-70.8-169.1172.100106.2E112 P116E112-E114 PolarHBondContact O-N 2.91Å; E114-P116 VanDerWaalsContact O-N 3.14Å
115E42Very low57.5Low170 Ų17096.6 Ų96.679%0.79454%0.537SS*.  trans-50.7128.4168.6-75.8-167167.500106.5D113 A117D113-E115 PolarHBondContact O-N 3.13Å; E115-A117 PolarHBondContact O-N 2.87Å
116P31.7Very low54.4Low119 Ų119104.9 Ų104.977%0.77358%0.576SS**  trans-56.7115-179.723.6-31000105.3E114 S118E114-P116 VanDerWaalsContact O-N 3.14Å; P116-S118 VanDerWaalsContact C-N 3.28Å; P116-S118 PolarHBondContact O-N 2.97Å
117A31.3Very low51.5Low96 Ų96114.6 Ų114.679%0.79362%0.618SS**  trans-45100-174.900000107.9E115 S119E115-A117 PolarHBondContact O-N 2.87Å; A117-S119 PolarHBondContact O-N 2.95Å
118S31.9Very low48Very low92 Ų92120.1 Ų120.164%0.64366%0.656SS**  trans-62.8115.8178.3480000103.3P116 E120P116-S118 VanDerWaalsContact C-N 3.28Å; P116-S118 PolarHBondContact O-N 2.97Å; S118-E120 PolarHBondContact O-N 3.45Å
119S29.5Very low44.9Very low117 Ų117124.9 Ų124.982%0.81870%0.696SS**  trans-65.472.1174.325.30000108A117 S121A117-S119 PolarHBondContact O-N 2.95Å; S119-S121 PolarHBondContact O-N 2.86Å
120E31.9Very low41.6Very low157 Ų157127.7 Ų127.773%0.73472%0.72SS**  trans-96.479.4160.2-72.4-16216200107.4S118 S122S118-E120 PolarHBondContact O-N 3.45Å; E120-S122 PolarHBondContact O-N 2.91Å
121S26.6Very low38.4Very low117 Ų117131 Ų13182%0.81875%0.749SS**  trans-6474.9147.457.20000108.5S119S119-S121 PolarHBondContact O-N 2.86Å
122S29.5Very low35.3Very low92 Ų92135.3 Ų135.364%0.64377%0.768SS**  trans-104.399.2164.743.50000108.3E120 Q124E120-S122 PolarHBondContact O-N 2.91Å; S122-Q124 PolarHBondContact O-N 2.88Å
123I32.4Very low32.5Very low150 Ų150139 Ų13977%0.76978%0.783SS**  trans-37.9126.7173.2-67.7160000111.5N125I123-N125 PolarHBondContact O-N 2.81Å
124Q27.6Very low30.5Very low184 Ų184139.9 Ų139.986%0.8680%0.796SS**  trans-51.7119.9161.9-70.6174.2-18.900109.8S122S122-Q124 PolarHBondContact O-N 2.88Å
125N29.9Very low29.4Very low151 Ų151135.7 Ų135.781%0.80779%0.794SS**  trans-14187.8154.3-106.5-18.8000108.3I123 K127I123-N125 PolarHBondContact O-N 2.81Å; N125-K127 PolarHBondContact O-N 2.97Å
126E28Very low28.8Very low193 Ų193132 Ų13290%0.90279%0.792SS**  trans-65.7113.9160.2-76.1-177.2147.600109
127K32.1Very low28.5Very low206 Ų206134.3 Ų134.390%0.89680%0.798SS**  trans-136.3120.6149.2-84-168.3178.3176.20110.5N125N125-K127 PolarHBondContact O-N 2.97Å
128C23.6Very low28.4Very low123 Ų123138.9 Ų138.983%0.83180%0.8SS**  trans-61.3134.6172-176.10000112.3
129A30.9Very low28.3Very low102 Ų102139.7 Ų139.784%0.84381%0.806SS**  trans-160.3140.9146.900000111
130T25.7Very low28.4Very low125 Ų125140.9 Ų140.977%0.76780%0.802SS**  trans-93168.8-169.543.70000114.7
131S28.3Very low28.3Very low107 Ų107136.9 Ų136.975%0.74880%0.803SS**  trans82.5140.6165.574.40000116.7
132D26.5Very low28.8Very low149 Ų149135.5 Ų135.580%0.79779%0.793SS**  cis-164.4166.9-0.4-116.6-29.4000110.8
133F25.7Very low29Very low187 Ų187134.8 Ų134.882%0.8278%0.782SS**  trans-21.2137.6175.5-92.7-102.2000123.7
134S25.6Very low29.2Very low112 Ų112133.8 Ų133.878%0.78378%0.777SS**  109.9140.8124770000121.5
135A26.6Very low29.6Very low100 Ų100131.6 Ų131.683%0.82677%0.771SS**  trans84.6103.4160.800000118.6
136A28.8Very low29.8Very low92 Ų92131.2 Ų131.276%0.7677%0.765SS**  156.8120.587.500000111.8K138A136-K138 PolarHBondContact O-N 3.46Å
137N27Very low30.1Very low168 Ų168128.3 Ų128.390%0.89876%0.755SS**  trans-47.3113.6162.1-77.7-31.2000112
138K28.7Very low30.6Very low193 Ų193118.8 Ų118.884%0.83972%0.715SS**  trans-144.3118.6154.7-81.1-169.8177.3172.20111.5A136A136-K138 PolarHBondContact O-N 3.46Å
139S29.2Very low31.9Very low109 Ų109119 Ų11976%0.76270%0.704SS**  trans54.183.9151.865.50000118.5
140L31.6Very low33.2Very low142 Ų142118 Ų11874%0.74369%0.69SS**  trans-106.750.3158.2-15678.9000110.1
141G31.1Very low36Very low72 Ų72113.3 Ų113.374%0.74267%0.666SS**SBendtrans-103.6-9.9-179.400000114.7
142S36Very low38.9Very low89 Ų89108.9 Ų108.962%0.62263%0.634SS**SBendtrans-111-7.8-174.662.70000115
143N33.5Very low41.8Very low76 Ų76106.4 Ų106.441%0.40662%0.617SS.*SBendtrans-91.7-8.8-173.6-75.1-5.2000114.7N145 L147N143-N145 VanDerWaalsContact C-N 3.34Å; N143-N145 PolarHBondContact O-N 3.09Å; N143-L147 WeakPolarHBondContact O-CD1 3.36Å
144I37Very low44.9Very low129 Ų129102.1 Ų102.166%0.66260%0.598SS**Hα-helixtrans-72.6-29.3-175.3-61.6176.6000111.6
145N35.5Very low48Very low139 Ų13996.8 Ų96.874%0.74356%0.561SS**Hα-helixtrans-80.6-33.3-179.3-69.6-7.1000113.4N143 G148N143-N145 VanDerWaalsContact C-N 3.34Å; N143-N145 PolarHBondContact O-N 3.09Å; N145-G148 PolarHBondContact O-N 3.28Å
146Q35.1Very low51.1Low142 Ų14292.2 Ų92.266%0.66452%0.522SS*.Hα-helixtrans-75.2-29.3179.7-78.7-175.2-11.900113.7G148Q146-G148 PolarHBondContact O-N 2.57Å
147L33.5Very low53.9Low133 Ų13391.5 Ų91.570%0.69651%0.506SS*.Hα-helixtrans-69.9-22.7174.6-89.8145.6000112.7N143N143-L147 WeakPolarHBondContact O-CD1 3.36Å
148G42.3Very low57.1Low6 Ų683.7 Ų83.76%0.06247%0.465CS..Hα-helixtrans-73.9-44.9179.500000114.2T24 N145 Q146 C150T24-G148 WeakPolarHBondContact OG1-CA 3.42Å; N145-G148 PolarHBondContact O-N 3.28Å; Q146-G148 PolarHBondContact O-N 2.57Å; G148-C150 VanDerWaalsContact C-N 3.32Å; G148-C150 PolarHBondContact O-N 2.53Å
149E51.7Low60.2Low128 Ų12874.5 Ų74.560%0.59843%0.425SS*.Hα-helixtrans-64.9-36.1177.1-77.1-17915300112.2G151 F152 Q153E149-G151 VanDerWaalsContact C-N 3.29Å; E149-G151 PolarHBondContact O-N 3.2Å; E149-F152 PolarHBondContact O-N 3.42Å; E149-Q153 WeakPolarHBondContact O-CB 3.25Å; E149-Q153 WeakPolarHBondContact O-CG 3.48Å; E149-Q153 PolarHBondContact O-N 3.31Å
150C57Low63.2Low80 Ų8071 Ų7154%0.54140%0.395SS..Hα-helixtrans-59.9-38.5-177.6-1730000112.3G148 K154G148-C150 VanDerWaalsContact C-N 3.32Å; G148-C150 PolarHBondContact O-N 2.53Å; C150-K154 WeakPolarHBondContact O-CB 3.2Å; C150-K154 PolarHBondContact O-N 3.4Å
151G85.9Confident66.2Low27 Ų2765.4 Ų65.428%0.27837%0.367SS..Hα-helixtrans-67-46.6-179.700000113.4E149 F155E149-G151 VanDerWaalsContact C-N 3.29Å; E149-G151 PolarHBondContact O-N 3.2Å; G151-F155 PolarHBondContact O-N 3.04Å; G151-F155 VanDerWaalsContact O-N 3.09Å
152F89Confident69.2Low14 Ų1465.9 Ų65.96%0.06135%0.349CS..Hα-helixtrans-68.7-46.1179.6-175.5-114.6000111.1W17 V22 F27 E149 K154 F155 I156W17-F152 AromaticContact CD1-CZ 3.88Å; W17-F152 AromaticContact CE2-CE2 3.93Å; W17-F152 HydrophobicContact CZ2-CE2 4.22Å; W17-F152 AromaticContact NE1-CE2 3.72Å; W17-F152 AromaticContact NE1-CZ 3.72Å; V22-F152 HydrophobicContact CB-CD1 4.44Å; V22-F152 HydrophobicContact CB-CD2 4.38Å; V22-F152 HydrophobicContact CB-CE1 4.42Å; V22-F152 HydrophobicContact CB-CE2 4.36Å; V22-F152 HydrophobicContact CB-CG 4.42Å; V22-F152 HydrophobicContact CB-CZ 4.38Å; V22-F152 HydrophobicContact CG2-CD1 4.18Å; V22-F152 HydrophobicContact CG2-CD2 4.37Å; V22-F152 HydrophobicContact CG2-CE1 3.69Å; V22-F152 HydrophobicContact CG2-CE2 3.91Å; V22-F152 HydrophobicContact CG2-CG 4.5Å; V22-F152 HydrophobicContact CG2-CZ 3.54Å; F27-F152 HydrophobicContact CD1-CB 4.22Å; F27-F152 HydrophobicContact CD1-CD2 4.37Å; F27-F152 AromaticContact CD2-CD2 3.48Å; F27-F152 HydrophobicContact CD2-CD2 3.48Å; F27-F152 VanDerWaalsContact CD2-CD2 3.48Å; F27-F152 HydrophobicContact CD2-CE2 4.04Å; F27-F152 HydrophobicContact CE1-CB 4.37Å; F27-F152 HydrophobicContact CE1-CD2 4.49Å; F27-F152 AromaticContact CE2-CD2 3.62Å; F27-F152 HydrophobicContact CE2-CD2 3.62Å; F27-F152 HydrophobicContact CE2-CE2 4.18Å; F27-F152 HydrophobicContact CG-CB 4.42Å; F27-F152 AromaticContact CG-CD2 3.89Å; F27-F152 HydrophobicContact CG-CD2 3.89Å; F27-F152 HydrophobicContact CZ-CD2 4.15Å; E149-F152 PolarHBondContact O-N 3.42Å; F152-K154 PolarHBondContact O-N 2.79Å; F152-F155 HydrophobicContact CD2-CD1 4.43Å; F152-F155 HydrophobicContact CE2-CD1 4.41Å; F152-F155 WeakPolarHBondContact O-CB 3.38Å; F152-F155 PolarHBondContact O-N 3.07Å; F152-F155 VanDerWaalsContact O-N 3.12Å; F152-I156 HydrophobicContact CD1-CG1 4.27Å; F152-I156 HydrophobicContact CE1-CD1 4.33Å; F152-I156 HydrophobicContact CE1-CG1 3.97Å; F152-I156 HydrophobicContact CE2-CD1 4.08Å; F152-I156 HydrophobicContact CE2-CG1 4.29Å; F152-I156 HydrophobicContact CZ-CD1 3.85Å; F152-I156 HydrophobicContact CZ-CG1 3.98Å; F152-I156 WeakPolarHBondContact O-CG1 3.39Å; F152-I156 PolarHBondContact O-N 3.49Å
153Q87.5Confident71.9Confident96 Ų9666.3 Ų66.345%0.44934%0.342SS..Hα-helixtrans-65.1-38.4179-67.3-60.8-11.700112.4E149 F155 I156 N157E149-Q153 WeakPolarHBondContact O-CB 3.25Å; E149-Q153 WeakPolarHBondContact O-CG 3.48Å; E149-Q153 PolarHBondContact O-N 3.31Å; Q153-F155 VanDerWaalsContact C-N 3.29Å; Q153-F155 PolarHBondContact O-N 3.07Å; Q153-I156 PolarHBondContact O-N 3.45Å; Q153-N157 WeakPolarHBondContact O-CB 3.3Å; Q153-N157 PolarHBondContact O-N 2.91Å; Q153-N157 PolarHBondContact O-ND2 3.34Å
154K89.8Confident74.8Confident97 Ų9762.7 Ų62.742%0.42232%0.322SS..Hα-helixtrans-60.5-39.9172.4-178.8170.7179.8170.90111.8W110 E112 C150 F152 G158W110-K154 HydrophobicContact CZ2-CG 4.44Å; W110-K154 PolarHBondContact NE1-O 3.09Å; E112-K154 WeakPolarHBondContact OE1-CE 3.44Å; E112-K154 IonicContact OE1-NZ 3.19Å; E112-K154 PolarHBondContact OE1-NZ 3.22Å; C150-K154 WeakPolarHBondContact O-CB 3.2Å; C150-K154 PolarHBondContact O-N 3.4Å; F152-K154 PolarHBondContact O-N 2.79Å; K154-G158 PolarHBondContact O-N 2.79Å; K154-G158 VanDerWaalsContact O-N 3.14Å
155F91.8Very high77.4Confident0 Ų063.1 Ų63.10%032%0.321CS..Hα-helixtrans-61-53.2173.6164.5-106.9000111.4F27 W110 G151 F152 Q153 N157 G158 L159 Y185 L188 Y192F27-F155 HydrophobicContact CE1-CB 4.34Å; F27-F155 HydrophobicContact CE2-CB 4.18Å; F27-F155 AromaticContact CE2-CD1 3.67Å; F27-F155 HydrophobicContact CE2-CD1 3.67Å; F27-F155 HydrophobicContact CE2-CE1 4.27Å; F27-F155 AromaticContact CE2-CG 3.94Å; F27-F155 HydrophobicContact CE2-CG 3.94Å; F27-F155 HydrophobicContact CZ-CB 3.47Å; F27-F155 VanDerWaalsContact CZ-CB 3.47Å; F27-F155 AromaticContact CZ-CD1 3.88Å; F27-F155 HydrophobicContact CZ-CD1 3.88Å; F27-F155 HydrophobicContact CZ-CD2 4.49Å; F27-F155 AromaticContact CZ-CG 3.69Å; F27-F155 HydrophobicContact CZ-CG 3.69Å; W110-F155 AromaticContact CD1-CD2 3.83Å; W110-F155 VanDerWaalsContact CD1-O 3.25Å; W110-F155 PolarHBondContact NE1-O 3.33Å; G151-F155 PolarHBondContact O-N 3.04Å; G151-F155 VanDerWaalsContact O-N 3.09Å; F152-F155 HydrophobicContact CD2-CD1 4.43Å; F152-F155 HydrophobicContact CE2-CD1 4.41Å; F152-F155 WeakPolarHBondContact O-CB 3.38Å; F152-F155 PolarHBondContact O-N 3.07Å; F152-F155 VanDerWaalsContact O-N 3.12Å; Q153-F155 VanDerWaalsContact C-N 3.29Å; Q153-F155 PolarHBondContact O-N 3.07Å; F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 3.17Å; F155-G158 PolarHBondContact O-N 3.26Å; F155-G158 VanDerWaalsContact O-N 3.16Å; F155-L159 HydrophobicContact CD2-CD2 4.3Å; F155-L159 HydrophobicContact CE1-CD1 4.06Å; F155-L159 HydrophobicContact CE1-CG 4.5Å; F155-L159 HydrophobicContact CE2-CD2 3.56Å; F155-L159 HydrophobicContact CE2-CG 4.22Å; F155-L159 HydrophobicContact CZ-CD1 3.96Å; F155-L159 HydrophobicContact CZ-CD2 3.7Å; F155-L159 HydrophobicContact CZ-CG 4.13Å; F155-L159 PolarHBondContact O-N 3.14Å; F155-Y185 HydrophobicContact CB-CE1 4.25Å; F155-Y185 AromaticContact CD2-CD1 3.61Å; F155-Y185 HydrophobicContact CD2-CD1 3.61Å; F155-Y185 HydrophobicContact CD2-CD2 4.05Å; F155-Y185 HydrophobicContact CD2-CE1 4.07Å; F155-Y185 HydrophobicContact CD2-CE2 4.45Å; F155-Y185 AromaticContact CD2-CG 3.61Å; F155-Y185 HydrophobicContact CD2-CG 3.61Å; F155-Y185 HydrophobicContact CE2-CD1 4.14Å; F155-Y185 AromaticContact CE2-CG 4Å; F155-Y185 HydrophobicContact CE2-CG 4Å; F155-Y185 HydrophobicContact CG-CD1 4.34Å; F155-Y185 HydrophobicContact CG-CE1 4.44Å; F155-L188 HydrophobicContact CE1-CD1 4.4Å; F155-L188 HydrophobicContact CE2-CB 4.03Å; F155-L188 HydrophobicContact CE2-CD1 4.37Å; F155-L188 HydrophobicContact CZ-CB 3.74Å; F155-L188 HydrophobicContact CZ-CD1 4.17Å; F155-L188 HydrophobicContact CZ-CG 4.45Å; F155-Y192 AromaticContact CE1-CE2 3.74Å; F155-Y192 HydrophobicContact CE1-CE2 3.74Å; F155-Y192 HydrophobicContact CZ-CD2 4.12Å; F155-Y192 AromaticContact CZ-CE2 3.76Å; F155-Y192 HydrophobicContact CZ-CE2 3.76Å
156I90.3Very high80.1Confident4 Ų459 Ų592%0.02130%0.301CS..Hα-helixtrans-57.2-44.4180-63.4-55.5000111.8V9 N13 F152 Q153 G158 L159V9-I156 HydrophobicContact CG1-CD1 3.65Å; V9-I156 HydrophobicContact CG1-CG2 3.85Å; N13-I156 VanDerWaalsContact ND2-CD1 3.32Å; N13-I156 WeakPolarHBondContact ND2-CD1 3.47Å; F152-I156 HydrophobicContact CD1-CG1 4.27Å; F152-I156 HydrophobicContact CE1-CD1 4.33Å; F152-I156 HydrophobicContact CE1-CG1 3.97Å; F152-I156 HydrophobicContact CE2-CD1 4.08Å; F152-I156 HydrophobicContact CE2-CG1 4.29Å; F152-I156 HydrophobicContact CZ-CD1 3.85Å; F152-I156 HydrophobicContact CZ-CG1 3.98Å; F152-I156 WeakPolarHBondContact O-CG1 3.39Å; F152-I156 PolarHBondContact O-N 3.49Å; Q153-I156 PolarHBondContact O-N 3.45Å; I156-G158 VanDerWaalsContact C-N 3.31Å; I156-G158 PolarHBondContact O-N 2.86Å; I156-L159 HydrophobicContact CD1-CD1 4.24Å; I156-L159 WeakPolarHBondContact O-CB 3.42Å; I156-L159 PolarHBondContact O-N 3.15Å
157N89.2Confident82.9Confident78 Ų7854 Ų5442%0.41728%0.281SS..Hα-helixtrans-67.6-30.5-178.9-68.9-16000113Q153 F155 L159 R160Q153-N157 WeakPolarHBondContact O-CB 3.3Å; Q153-N157 PolarHBondContact O-N 2.91Å; Q153-N157 PolarHBondContact O-ND2 3.34Å; F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 3.17Å; N157-L159 VanDerWaalsContact C-N 3.34Å; N157-R160 PolarHBondContact O-NH1 2.9Å
158G92.6Very high85.8Confident3 Ų353.5 Ų53.53%0.03128%0.275CS..Hα-helixtrans-83.6-4.1177.400000114.6W110 C111 K154 F155 I156W110-G158 WeakPolarHBondContact CA-O 3.22Å; W110-G158 VanDerWaalsContact CD1-C 3.49Å; C111-G158 PolarHBondContact N-O 3.19Å; C111-G158 VanDerWaalsContact O-CA 3.3Å; C111-G158 WeakPolarHBondContact O-CA 3.5Å; K154-G158 PolarHBondContact O-N 2.79Å; K154-G158 VanDerWaalsContact O-N 3.14Å; F155-G158 PolarHBondContact O-N 3.26Å; F155-G158 VanDerWaalsContact O-N 3.16Å; I156-G158 VanDerWaalsContact C-N 3.31Å; I156-G158 PolarHBondContact O-N 2.86Å
159L93.9Very high88.3Confident1 Ų157.1 Ų57.11%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-67.5136.4177.2-71.3-179.5000111.5V9 V108 F155 I156 N157 Y192V9-L159 HydrophobicContact CG1-CD1 4.04Å; V9-L159 HydrophobicContact CG2-CB 4.48Å; V9-L159 HydrophobicContact CG2-CD1 3.72Å; V108-L159 HydrophobicContact CG1-CD2 3.76Å; F155-L159 HydrophobicContact CD2-CD2 4.3Å; F155-L159 HydrophobicContact CE1-CD1 4.06Å; F155-L159 HydrophobicContact CE1-CG 4.5Å; F155-L159 HydrophobicContact CE2-CD2 3.56Å; F155-L159 HydrophobicContact CE2-CG 4.22Å; F155-L159 HydrophobicContact CZ-CD1 3.96Å; F155-L159 HydrophobicContact CZ-CD2 3.7Å; F155-L159 HydrophobicContact CZ-CG 4.13Å; F155-L159 PolarHBondContact O-N 3.14Å; I156-L159 HydrophobicContact CD1-CD1 4.24Å; I156-L159 WeakPolarHBondContact O-CB 3.42Å; I156-L159 PolarHBondContact O-N 3.15Å; N157-L159 VanDerWaalsContact C-N 3.34Å; L159-Y192 HydrophobicContact CD1-CD1 4.34Å; L159-Y192 HydrophobicContact CD1-CD2 4.47Å; L159-Y192 HydrophobicContact CD1-CE1 4.32Å; L159-Y192 HydrophobicContact CD1-CE2 4.47Å; L159-Y192 HydrophobicContact CD1-CG 4.43Å
160R93.6Very high90.4Very high35 Ų3551 Ų5113%0.13226%0.261CS..EExtended strand (participates in β ladder)trans-131.1148174-57.5-65.9175.9-94.12.4107.8T2 V108 Y109 C111 D113 N157T2-R160 VanDerWaalsContact CG2-CD 3.48Å; V108-R160 CarbonylContact C-O 3.56Å; V108-R160 VanDerWaalsContact CA-O 3.25Å; V108-R160 WeakPolarHBondContact CA-O 3.4Å; Y109-R160 HydrophobicContact CD1-CB 4.06Å; Y109-R160 HydrophobicContact CD2-CB 4.06Å; Y109-R160 HydrophobicContact CD2-CG 4.5Å; Y109-R160 HydrophobicContact CE1-CB 3.59Å; Y109-R160 HydrophobicContact CE2-CB 3.58Å; Y109-R160 HydrophobicContact CE2-CG 3.89Å; Y109-R160 HydrophobicContact CG-CB 4.29Å; Y109-R160 PolarHBondContact N-O 2.95Å; Y109-R160 PolarHBondContact O-N 3.36Å; C111-R160 HydrophobicContact CB-CG 4.22Å; D113-R160 IonicContact OD1-CZ 3.85Å; D113-R160 IonicContact OD1-NH2 2.84Å; D113-R160 PolarHBondContact OD1-NH2 3.1Å; D113-R160 IonicContact OD2-NH2 2.7Å; D113-R160 PolarHBondContact OD2-NH2 3.38Å; N157-R160 PolarHBondContact O-NH1 2.9Å
161C94.3Very high92.2Very high24 Ų2452.8 Ų52.816%0.16226%0.257CS..EExtended strand (participates in β ladder)trans-125.9129.1178.1-174.30000109.1C5 V108C5-C161 HydrophobicContact CB-CB 4.37Å; V108-C161 HydrophobicContact CG2-CB 4.14Å
162F93.9Very high92.8Very high83 Ų8354.5 Ų54.536%0.36427%0.268SS..EExtended strand (participates in β ladder)trans-98.5129.6165.5-174.9-87.1000108.6C106 W107 A164 V173C106-F162 WeakPolarHBondContact CA-O 3.42Å; W107-F162 HydrophobicContact CB-CB 4.5Å; W107-F162 PolarHBondContact N-O 3.49Å; W107-F162 PolarHBondContact O-N 2.92Å; F162-A164 HydrophobicContact CD1-CB 4.12Å; F162-A164 HydrophobicContact CE1-CB 3.82Å; F162-V173 HydrophobicContact CB-CG2 3.97Å; F162-V173 HydrophobicContact CD1-CB 3.99Å; F162-V173 HydrophobicContact CD1-CG1 3.74Å; F162-V173 HydrophobicContact CD1-CG2 3.95Å; F162-V173 HydrophobicContact CD2-CG2 4.09Å; F162-V173 HydrophobicContact CE1-CB 4.18Å; F162-V173 HydrophobicContact CE1-CG1 4.14Å; F162-V173 HydrophobicContact CE1-CG2 4.48Å; F162-V173 HydrophobicContact CG-CB 4.29Å; F162-V173 HydrophobicContact CG-CG1 4.34Å; F162-V173 HydrophobicContact CG-CG2 3.73Å
163E93.5Very high93.1Very high98 Ų9854.5 Ų54.546%0.45827%0.269SS..EExtended strand (participates in β ladder)trans-101.4119174.6-66.3178.3177.500108R8 F105R8-E163 IonicContact NH1-OE1 3.34Å; F105-E163 CarbonylContact O-C 3.59Å; F105-E163 WeakPolarHBondContact O-CA 3.38Å
164A93.7Very high93.5Very high0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-107.1136.7178.500000109.8Q104 F105 F162 E169 L170Q104-A164 WeakPolarHBondContact CA-O 3.36Å; F105-A164 HydrophobicContact CB-CB 4.31Å; F105-A164 HydrophobicContact CD2-CB 4.47Å; F105-A164 WeakPolarHBondContact CD2-O 3.33Å; F105-A164 PolarHBondContact N-O 2.97Å; F105-A164 PolarHBondContact O-N 2.8Å; F162-A164 HydrophobicContact CD1-CB 4.12Å; F162-A164 HydrophobicContact CE1-CB 3.82Å; A164-E169 HydrophobicContact CB-CB 3.87Å; A164-L170 HydrophobicContact CB-CB 3.97Å; A164-L170 HydrophobicContact CB-CD1 4.46Å
165E91.6Very high93.8Very high138 Ų13851.6 Ų51.665%0.64526%0.255SS*.SBendtrans-92.3-22.4177.1-62.7-174.4175.800111.8E169E165-E169 PolarHBondContact N-OE2 3.49Å
166T92.9Very high94Very high52 Ų5255.4 Ų55.432%0.31928%0.282SS..SBendtrans-123.5157.4-178.366.30000112.2E168 E169 L170T166-E168 PolarHBondContact O-N 2.71Å; T166-E169 PolarHBondContact N-OE2 2.9Å; T166-E169 PolarHBondContact O-N 3.37Å; T166-E169 WeakPolarHBondContact OG1-CB 3.49Å; T166-E169 VanDerWaalsContact OG1-CG 3.26Å; T166-E169 WeakPolarHBondContact OG1-CG 3.45Å; T166-E169 PolarHBondContact OG1-N 2.88Å; T166-E169 VanDerWaalsContact OG1-N 3.12Å; T166-L170 PolarHBondContact O-N 2.68Å
167V92.8Very high94.2Very high38 Ų3855.9 Ų55.923%0.2328%0.284CS..Hα-helixtrans-65.8-30.3175.3-1770000110.6L95 F105 R171L95-V167 HydrophobicContact CD1-CG1 4.16Å; L95-V167 HydrophobicContact CD2-CG1 4.16Å; L95-V167 HydrophobicContact CD2-CG2 3.72Å; F105-V167 HydrophobicContact CE2-CG2 4.17Å; F105-V167 HydrophobicContact CZ-CG2 4.04Å; V167-R171 WeakPolarHBondContact O-CB 3.47Å; V167-R171 PolarHBondContact O-N 2.97Å
168E94.7Very high94.5Very high122 Ų12253.6 Ų53.657%0.5727%0.272SS*.Hα-helixtrans-66.7-46.9176.9-6863.1-137.300111.4T166 R171 A172T166-E168 PolarHBondContact O-N 2.71Å; E168-R171 PolarHBondContact O-N 3.22Å; E168-A172 WeakPolarHBondContact O-CB 3.33Å; E168-A172 PolarHBondContact O-N 3.34Å
169E95.4Very high94.6Very high82 Ų8257.8 Ų57.838%0.38330%0.299SS..Hα-helixtrans-61.5-45.9173.6-77.5170-175.400111.6A164 E165 T166 R171 A172 V173A164-E169 HydrophobicContact CB-CB 3.87Å; E165-E169 PolarHBondContact N-OE2 3.49Å; T166-E169 PolarHBondContact N-OE2 2.9Å; T166-E169 PolarHBondContact O-N 3.37Å; T166-E169 WeakPolarHBondContact OG1-CB 3.49Å; T166-E169 VanDerWaalsContact OG1-CG 3.26Å; T166-E169 WeakPolarHBondContact OG1-CG 3.45Å; T166-E169 PolarHBondContact OG1-N 2.88Å; T166-E169 VanDerWaalsContact OG1-N 3.12Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 3.03Å; E169-A172 PolarHBondContact O-N 3.42Å; E169-V173 PolarHBondContact O-N 3.11Å
170L94.8Very high94.7Very high0 Ų060.6 Ų60.60%031%0.312CS..Hα-helixtrans-58.1-43.6177-177.566.9000111.2L91 I94 F105 W107 A164 T166 V173 A174L91-L170 HydrophobicContact CD2-CB 4.46Å; L91-L170 HydrophobicContact CD2-CD2 3.72Å; L91-L170 HydrophobicContact CD2-CG 3.59Å; I94-L170 HydrophobicContact CB-CD2 4.26Å; I94-L170 HydrophobicContact CG2-CD1 4.47Å; I94-L170 HydrophobicContact CG2-CD2 3.62Å; F105-L170 HydrophobicContact CB-CB 4.45Å; F105-L170 HydrophobicContact CB-CD1 3.82Å; F105-L170 HydrophobicContact CB-CD2 3.88Å; F105-L170 HydrophobicContact CB-CG 4.24Å; F105-L170 HydrophobicContact CD1-CD2 4.17Å; F105-L170 HydrophobicContact CD2-CB 4.46Å; F105-L170 HydrophobicContact CD2-CD2 4.43Å; F105-L170 HydrophobicContact CG-CD2 3.9Å; W107-L170 HydrophobicContact CB-CD1 4.21Å; W107-L170 HydrophobicContact CE3-CD1 3.92Å; A164-L170 HydrophobicContact CB-CB 3.97Å; A164-L170 HydrophobicContact CB-CD1 4.46Å; T166-L170 PolarHBondContact O-N 2.68Å; L170-V173 VanDerWaalsContact O-CG1 3.27Å; L170-V173 WeakPolarHBondContact O-CG1 3.33Å; L170-A174 VanDerWaalsContact O-CB 3.29Å; L170-A174 WeakPolarHBondContact O-CB 3.45Å; L170-A174 PolarHBondContact O-N 2.89Å
171R95.8Very high94.8Very high117 Ų11759.4 Ų59.444%0.44231%0.308SS..Hα-helixtrans-64.2-44176.6-177-178.9-66.3108.6-1111.5L87 L91 V167 E168 E169 A174 F175L87-R171 HydrophobicContact CD2-CG 4.29Å; L91-R171 HydrophobicContact CD1-CB 4Å; L91-R171 HydrophobicContact CD1-CG 3.88Å; V167-R171 WeakPolarHBondContact O-CB 3.47Å; V167-R171 PolarHBondContact O-N 2.97Å; E168-R171 PolarHBondContact O-N 3.22Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 3.03Å; R171-A174 PolarHBondContact O-N 3.27Å; R171-F175 WeakPolarHBondContact O-CB 2.98Å; R171-F175 PolarHBondContact O-N 3.25Å
172A96.6Very high94.9Very high62 Ų6263.9 Ų63.951%0.51232%0.324SS..Hα-helixtrans-63.4-43.1-179.500000112E168 E169 F175 S176E168-A172 WeakPolarHBondContact O-CB 3.33Å; E168-A172 PolarHBondContact O-N 3.34Å; E169-A172 PolarHBondContact O-N 3.42Å; A172-F175 PolarHBondContact O-N 3.01Å; A172-S176 PolarHBondContact O-N 2.75Å
173V96Very high95Very high14 Ų1461.6 Ų61.69%0.08532%0.319CS..Hα-helixtrans-71.1-39.9178.272.60000112.2W107 F162 E169 L170 F175 S176 L177W107-V173 HydrophobicContact CB-CG1 4.01Å; W107-V173 HydrophobicContact CG-CG1 4.23Å; F162-V173 HydrophobicContact CB-CG2 3.97Å; F162-V173 HydrophobicContact CD1-CB 3.99Å; F162-V173 HydrophobicContact CD1-CG1 3.74Å; F162-V173 HydrophobicContact CD1-CG2 3.95Å; F162-V173 HydrophobicContact CD2-CG2 4.09Å; F162-V173 HydrophobicContact CE1-CB 4.18Å; F162-V173 HydrophobicContact CE1-CG1 4.14Å; F162-V173 HydrophobicContact CE1-CG2 4.48Å; F162-V173 HydrophobicContact CG-CB 4.29Å; F162-V173 HydrophobicContact CG-CG1 4.34Å; F162-V173 HydrophobicContact CG-CG2 3.73Å; E169-V173 PolarHBondContact O-N 3.11Å; L170-V173 VanDerWaalsContact O-CG1 3.27Å; L170-V173 WeakPolarHBondContact O-CG1 3.33Å; V173-F175 PolarHBondContact O-N 3.41Å; V173-S176 PolarHBondContact O-N 3.02Å; V173-S176 PolarHBondContact O-OG 2.79Å; V173-L177 HydrophobicContact CG2-CD1 3.74Å; V173-L177 HydrophobicContact CG2-CG 4.42Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CG 3.44Å; V173-L177 PolarHBondContact O-N 2.7Å; V173-L177 VanDerWaalsContact O-N 3.11Å
174A95.5Very high95Very high0 Ų063 Ų630%032%0.324CS..Hα-helixtrans-60.4-40.3175.200000110.7L87 L91 W107 L170 R171 L177 L178L87-A174 HydrophobicContact CD1-CB 3.66Å; L87-A174 WeakPolarHBondContact CD1-O 3.35Å; L87-A174 HydrophobicContact CG-CB 4.24Å; L91-A174 HydrophobicContact CD2-CB 4.13Å; W107-A174 HydrophobicContact CD2-CB 4.15Å; W107-A174 HydrophobicContact CE3-CB 3.99Å; W107-A174 HydrophobicContact CH2-CB 3.58Å; W107-A174 HydrophobicContact CZ2-CB 3.77Å; W107-A174 HydrophobicContact CZ3-CB 3.7Å; L170-A174 VanDerWaalsContact O-CB 3.29Å; L170-A174 WeakPolarHBondContact O-CB 3.45Å; L170-A174 PolarHBondContact O-N 2.89Å; R171-A174 PolarHBondContact O-N 3.27Å; A174-L177 PolarHBondContact O-N 3.43Å; A174-L178 PolarHBondContact O-N 3.11Å
175F95.8Very high95.1Very high133 Ų13363.7 Ų63.758%0.58333%0.326SS*.Hα-helixtrans-68.6-41179.2-172.5-91000112.1L87 R171 A172 V173 L177 L178L87-F175 HydrophobicContact CD1-CB 4.36Å; R171-F175 WeakPolarHBondContact O-CB 2.98Å; R171-F175 PolarHBondContact O-N 3.25Å; A172-F175 PolarHBondContact O-N 3.01Å; V173-F175 PolarHBondContact O-N 3.41Å; F175-L177 PolarHBondContact O-N 2.87Å; F175-L178 HydrophobicContact CD2-CD1 4Å; F175-L178 HydrophobicContact CE2-CD1 4.02Å; F175-L178 HydrophobicContact CG-CD1 4.47Å; F175-L178 VanDerWaalsContact O-CG 3.29Å; F175-L178 WeakPolarHBondContact O-CG 3.37Å; F175-L178 PolarHBondContact O-N 2.89Å
176S96.3Very high95.4Very high79 Ų7957.3 Ų57.355%0.55230%0.297SS*.Hα-helixtrans-67.4-21.5176.971.70000113.1A172 V173A172-S176 PolarHBondContact O-N 2.75Å; V173-S176 PolarHBondContact O-N 3.02Å; V173-S176 PolarHBondContact O-OG 2.79Å
177L96Very high95.6Very high14 Ų1454.8 Ų54.87%0.07328%0.282CS..THydrogen-bonded Turntrans-101.815.5-178.8-65.1172.1000114.2Y109 V173 A174 F175 P179 Q180 I181Y109-L177 HydrophobicContact CD1-CD1 3.64Å; Y109-L177 HydrophobicContact CD2-CD2 4.07Å; Y109-L177 HydrophobicContact CE1-CD1 4.26Å; Y109-L177 HydrophobicContact CE2-CD2 4.48Å; Y109-L177 HydrophobicContact CG-CD1 3.78Å; Y109-L177 HydrophobicContact CG-CD2 4.11Å; V173-L177 HydrophobicContact CG2-CD1 3.74Å; V173-L177 HydrophobicContact CG2-CG 4.42Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CG 3.44Å; V173-L177 PolarHBondContact O-N 2.7Å; V173-L177 VanDerWaalsContact O-N 3.11Å; A174-L177 PolarHBondContact O-N 3.43Å; F175-L177 PolarHBondContact O-N 2.87Å; L177-P179 VanDerWaalsContact C-CD 3.42Å; L177-P179 VanDerWaalsContact C-N 3.31Å; L177-Q180 VanDerWaalsContact CA-OE1 3.28Å; L177-Q180 HydrophobicContact CB-CB 4.45Å; L177-Q180 HydrophobicContact CD2-CG 4.16Å; L177-Q180 WeakPolarHBondContact O-CA 3.49Å; L177-Q180 WeakPolarHBondContact O-CB 3.42Å; L177-Q180 PolarHBondContact O-N 3.14Å; L177-Q180 PolarHBondContact O-OE1 3.1Å; L177-I181 WeakPolarHBondContact O-CG1 3.34Å; L177-I181 PolarHBondContact O-N 3.15Å
178L94.7Very high95.8Very high31 Ų3153 Ų5316%0.16227%0.271CS..Hα-helixtrans-49.2-42.9175.5-77.2175.7000113.7M83 L87 A174 F175 Q180 I181 K182M83-L178 HydrophobicContact CB-CD2 4.49Å; M83-L178 HydrophobicContact CE-CD2 3.71Å; L87-L178 HydrophobicContact CD1-CD2 3.74Å; L87-L178 HydrophobicContact CD1-CG 4.36Å; A174-L178 PolarHBondContact O-N 3.11Å; F175-L178 HydrophobicContact CD2-CD1 4Å; F175-L178 HydrophobicContact CE2-CD1 4.02Å; F175-L178 HydrophobicContact CG-CD1 4.47Å; F175-L178 VanDerWaalsContact O-CG 3.29Å; F175-L178 WeakPolarHBondContact O-CG 3.37Å; F175-L178 PolarHBondContact O-N 2.89Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 3.35Å; L178-I181 HydrophobicContact CD2-CD1 4.15Å; L178-I181 PolarHBondContact O-N 3.5Å; L178-K182 PolarHBondContact O-N 2.95Å
179P94.8Very high95.9Very high91 Ų9147.5 Ų47.559%0.59125%0.246SC*.Hα-helixtrans-59.4-38.3175.4-24.635.4000113.3L177 K182 S183L177-P179 VanDerWaalsContact C-CD 3.42Å; L177-P179 VanDerWaalsContact C-N 3.31Å; P179-K182 PolarHBondContact O-N 3.34Å; P179-S183 PolarHBondContact O-N 3.07Å; P179-S183 VanDerWaalsContact O-N 3.12Å
180Q95.8Very high96Very high60 Ų6043.9 Ų43.928%0.2823%0.229SC..Hα-helixtrans-72.2-34.7179.9-6879.1-6.900111.5L177 L178 K182 S183L177-Q180 VanDerWaalsContact CA-OE1 3.28Å; L177-Q180 HydrophobicContact CB-CB 4.45Å; L177-Q180 HydrophobicContact CD2-CG 4.16Å; L177-Q180 WeakPolarHBondContact O-CA 3.49Å; L177-Q180 WeakPolarHBondContact O-CB 3.42Å; L177-Q180 PolarHBondContact O-N 3.14Å; L177-Q180 PolarHBondContact O-OE1 3.1Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 3.35Å; Q180-K182 PolarHBondContact O-N 3.17Å; Q180-S183 VanDerWaalsContact O-CB 3.29Å; Q180-S183 WeakPolarHBondContact O-CB 3.36Å; Q180-S183 PolarHBondContact O-N 2.93Å; Q180-S183 VanDerWaalsContact O-N 3.08Å; Q180-S183 PolarHBondContact O-OG 2.84Å
181I96.9Very high96.2Very high9 Ų943.9 Ų43.95%0.04623%0.229CC..Hα-helixtrans-60.8-36.6173.3-63.9174000111.1F34 L86 L87 L90 W107 L177 L178 S183 G186F34-I181 HydrophobicContact CB-CG2 4.11Å; F34-I181 HydrophobicContact CD2-CG2 3.6Å; F34-I181 HydrophobicContact CE2-CG2 4.42Å; F34-I181 HydrophobicContact CG-CG2 4.19Å; F34-I181 PolarHBondContact N-O 3.5Å; L86-I181 HydrophobicContact CD2-CG2 4Å; L87-I181 HydrophobicContact CD1-CD1 4.46Å; L90-I181 HydrophobicContact CD1-CD1 4.11Å; L90-I181 HydrophobicContact CD1-CG2 3.84Å; W107-I181 HydrophobicContact CH2-CD1 4.12Å; W107-I181 HydrophobicContact CZ2-CD1 3.54Å; W107-I181 HydrophobicContact CZ2-CG1 3.88Å; L177-I181 WeakPolarHBondContact O-CG1 3.34Å; L177-I181 PolarHBondContact O-N 3.15Å; L178-I181 HydrophobicContact CD2-CD1 4.15Å; L178-I181 PolarHBondContact O-N 3.5Å; I181-S183 VanDerWaalsContact C-N 3.34Å; I181-G186 WeakPolarHBondContact O-CA 3.36Å
182K95.6Very high96.2Very high119 Ų11938.3 Ų38.352%0.51721%0.208SC..THydrogen-bonded Turntrans-82.3-11.8176.2-60-177.273.4166.80113.6M83 L178 P179 Q180M83-K182 HydrophobicContact CE-CD 3.68Å; M83-K182 HydrophobicContact CE-CG 3.76Å; M83-K182 HydrophobicContact SD-CD 3.88Å; M83-K182 HydrophobicContact SD-CG 4.4Å; L178-K182 PolarHBondContact O-N 2.95Å; P179-K182 PolarHBondContact O-N 3.34Å; Q180-K182 PolarHBondContact O-N 3.17Å
183S95.1Very high96.2Very high35 Ų3535.4 Ų35.425%0.24518%0.183CC..SBendtrans-73.1168.6-175.180.80000112.3G33 P179 Q180 I181 Y185 G186G33-S183 WeakPolarHBondContact CA-O 3.23Å; G33-S183 PolarHBondContact N-O 3.14Å; P179-S183 PolarHBondContact O-N 3.07Å; P179-S183 VanDerWaalsContact O-N 3.12Å; Q180-S183 VanDerWaalsContact O-CB 3.29Å; Q180-S183 WeakPolarHBondContact O-CB 3.36Å; Q180-S183 PolarHBondContact O-N 2.93Å; Q180-S183 VanDerWaalsContact O-N 3.08Å; Q180-S183 PolarHBondContact O-OG 2.84Å; I181-S183 VanDerWaalsContact C-N 3.34Å; S183-Y185 PolarHBondContact O-N 2.93Å; S183-G186 PolarHBondContact O-N 3.48Å
184K93.9Very high96.2Very high128 Ų12834.7 Ų34.756%0.55718%0.179SC*.THydrogen-bonded Turntrans-48.7-26.7-179.3-178.4-177.6174.6-165.60115C31 Q32C31-K184 CarbonylContact C-O 3.55Å; C31-K184 VanDerWaalsContact CA-O 3.29Å; C31-K184 WeakPolarHBondContact CA-O 3.25Å; C31-K184 HydrophobicContact CB-CG 4.13Å; Q32-K184 CarbonylContact C-O 3.5Å; Q32-K184 VanDerWaalsContact CA-O 3.3Å; Q32-K184 WeakPolarHBondContact CA-O 3.44Å; Q32-K184 PolarHBondContact N-O 2.9Å
185Y96.2Very high96.2Very high14 Ų1434.8 Ų34.86%0.05518%0.18CC..THydrogen-bonded Turntrans-110.47.6-179.3-56.2-60.6000113.9F27 C31 W110 F155 S183 V187 L188 C189F27-Y185 HydrophobicContact CE1-CE1 4.48Å; F27-Y185 AromaticContact CZ-CE1 3.97Å; F27-Y185 HydrophobicContact CZ-CE1 3.97Å; C31-Y185 HydrophobicContact CB-CD1 4.26Å; C31-Y185 HydrophobicContact CB-CE1 4.15Å; C31-Y185 VanDerWaalsContact SG-CE1 3.58Å; W110-Y185 HydrophobicContact CB-CD2 4.12Å; W110-Y185 AromaticContact CD1-CD2 3.94Å; W110-Y185 AromaticContact CD2-CD2 3.43Å; W110-Y185 HydrophobicContact CD2-CD2 3.43Å; W110-Y185 VanDerWaalsContact CD2-CD2 3.43Å; W110-Y185 AromaticContact CD2-CE2 3.69Å; W110-Y185 HydrophobicContact CD2-CE2 3.69Å; W110-Y185 AromaticContact CE2-CD2 3.78Å; W110-Y185 AromaticContact CE2-CE2 3.55Å; W110-Y185 AromaticContact CE3-CD2 3.8Å; W110-Y185 HydrophobicContact CE3-CD2 3.8Å; W110-Y185 HydrophobicContact CE3-CE2 4.03Å; W110-Y185 AromaticContact CG-CD2 3.57Å; W110-Y185 HydrophobicContact CG-CD2 3.57Å; W110-Y185 HydrophobicContact CG-CE2 4.19Å; W110-Y185 HydrophobicContact CG-CG 4.39Å; W110-Y185 HydrophobicContact CH2-CE2 4.11Å; W110-Y185 HydrophobicContact CZ2-CD2 4.41Å; W110-Y185 AromaticContact CZ2-CE2 3.79Å; W110-Y185 HydrophobicContact CZ2-CE2 3.79Å; W110-Y185 HydrophobicContact CZ3-CD2 4.41Å; W110-Y185 HydrophobicContact CZ3-CE2 4.22Å; W110-Y185 AromaticContact NE1-CE2 3.96Å; F155-Y185 HydrophobicContact CB-CE1 4.25Å; F155-Y185 AromaticContact CD2-CD1 3.61Å; F155-Y185 HydrophobicContact CD2-CD1 3.61Å; F155-Y185 HydrophobicContact CD2-CD2 4.05Å; F155-Y185 HydrophobicContact CD2-CE1 4.07Å; F155-Y185 HydrophobicContact CD2-CE2 4.45Å; F155-Y185 AromaticContact CD2-CG 3.61Å; F155-Y185 HydrophobicContact CD2-CG 3.61Å; F155-Y185 HydrophobicContact CE2-CD1 4.14Å; F155-Y185 AromaticContact CE2-CG 4Å; F155-Y185 HydrophobicContact CE2-CG 4Å; F155-Y185 HydrophobicContact CG-CD1 4.34Å; F155-Y185 HydrophobicContact CG-CE1 4.44Å; S183-Y185 PolarHBondContact O-N 2.93Å; Y185-V187 VanDerWaalsContact C-N 3.31Å; Y185-V187 PolarHBondContact O-N 2.77Å; Y185-L188 HydrophobicContact CD1-CD1 4.39Å; Y185-L188 PolarHBondContact O-N 3.16Å; Y185-C189 WeakPolarHBondContact O-CB 3.12Å; Y185-C189 PolarHBondContact O-N 3.06Å; Y185-C189 PolarHBondContact O-SG 3.04Å; Y185-C189 VanDerWaalsContact O-SG 3.38Å
186G97.2Very high96.1Very high3 Ų328.6 Ų28.63%0.03115%0.153CC..Hα-helixtrans-54.8-42.4-171.500000114.2Q32 I181 S183 F190Q32-G186 PolarHBondContact O-N 3.37Å; I181-G186 WeakPolarHBondContact O-CA 3.36Å; S183-G186 PolarHBondContact O-N 3.48Å; G186-F190 WeakPolarHBondContact O-CB 3.3Å; G186-F190 PolarHBondContact O-N 3.3Å
187V97.8Very high96Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-66.5-43.1177.7171.10000111.9Q32 F34 P51 I54 I55 Y185 F190 L191Q32-V187 HydrophobicContact CG-CB 4.42Å; Q32-V187 HydrophobicContact CG-CG2 4.06Å; Q32-V187 VanDerWaalsContact O-CB 3.28Å; Q32-V187 WeakPolarHBondContact O-CB 3.32Å; Q32-V187 WeakPolarHBondContact O-CG2 3.38Å; Q32-V187 PolarHBondContact O-N 3.1Å; F34-V187 HydrophobicContact CD1-CG2 4.45Å; F34-V187 HydrophobicContact CD2-CG2 4.13Å; F34-V187 HydrophobicContact CE1-CG2 4.26Å; F34-V187 HydrophobicContact CE2-CB 4.48Å; F34-V187 HydrophobicContact CE2-CG2 3.94Å; F34-V187 HydrophobicContact CG-CG2 4.41Å; F34-V187 HydrophobicContact CZ-CG2 4.01Å; P51-V187 HydrophobicContact CB-CG1 3.69Å; I54-V187 HydrophobicContact CB-CG1 3.86Å; I54-V187 HydrophobicContact CG1-CG1 4.21Å; I54-V187 HydrophobicContact CG2-CG1 3.81Å; I55-V187 HydrophobicContact CD1-CG2 4.5Å; I55-V187 HydrophobicContact CG1-CG2 4.31Å; Y185-V187 VanDerWaalsContact C-N 3.31Å; Y185-V187 PolarHBondContact O-N 2.77Å; V187-F190 PolarHBondContact O-N 3.28Å; V187-L191 PolarHBondContact O-N 2.87Å
188L96.7Very high95.9Very high0 Ų025.7 Ų25.70%013%0.131CC..Hα-helixtrans-64.7-49.7175.6-82.8169.4000111.1W17 F27 W30 F155 Y185 F190 L191 Y192W17-L188 HydrophobicContact CH2-CD2 3.82Å; W17-L188 HydrophobicContact CZ2-CD2 3.7Å; F27-L188 HydrophobicContact CD2-CD1 4.21Å; F27-L188 HydrophobicContact CE2-CD1 3.6Å; F27-L188 HydrophobicContact CZ-CD1 4.38Å; W30-L188 HydrophobicContact CB-CD1 4.01Å; W30-L188 HydrophobicContact CB-CD2 3.86Å; W30-L188 HydrophobicContact CB-CG 3.93Å; W30-L188 HydrophobicContact CE3-CD2 4.05Å; W30-L188 HydrophobicContact CG-CD2 4.49Å; W30-L188 WeakPolarHBondContact O-CG 3.48Å; F155-L188 HydrophobicContact CE1-CD1 4.4Å; F155-L188 HydrophobicContact CE2-CB 4.03Å; F155-L188 HydrophobicContact CE2-CD1 4.37Å; F155-L188 HydrophobicContact CZ-CB 3.74Å; F155-L188 HydrophobicContact CZ-CD1 4.17Å; F155-L188 HydrophobicContact CZ-CG 4.45Å; Y185-L188 HydrophobicContact CD1-CD1 4.39Å; Y185-L188 PolarHBondContact O-N 3.16Å; L188-F190 PolarHBondContact O-N 3.25Å; L188-L191 HydrophobicContact CD2-CD2 4.42Å; L188-L191 WeakPolarHBondContact O-CA 3.35Å; L188-L191 VanDerWaalsContact O-CB 3.32Å; L188-L191 WeakPolarHBondContact O-CB 3.42Å; L188-L191 PolarHBondContact O-N 3.45Å; L188-Y192 VanDerWaalsContact O-CD2 3.26Å; L188-Y192 WeakPolarHBondContact O-CD2 3.36Å; L188-Y192 PolarHBondContact O-N 3.45Å
189C97.2Very high95.7Very high7 Ų724.9 Ų24.95%0.04713%0.13CC..Hα-helixtrans-52.9-43.7175.7-71.40000111.2V108 W110 Y185 Y192 S193V108-C189 WeakPolarHBondContact O-CB 3.31Å; W110-C189 PolarHBondContact N-SG 3.33Å; Y185-C189 WeakPolarHBondContact O-CB 3.12Å; Y185-C189 PolarHBondContact O-N 3.06Å; Y185-C189 PolarHBondContact O-SG 3.04Å; Y185-C189 VanDerWaalsContact O-SG 3.38Å; C189-Y192 PolarHBondContact O-N 2.81Å; C189-S193 PolarHBondContact O-N 3.06Å; C189-S193 PolarHBondContact O-OG 3.16Å
190F98.2Very high95.6Very high5 Ų521.9 Ų21.92%0.02211%0.109CC..Hα-helixtrans-64.6-40.1175.7-174.2-109.1000113.5F34 I54 L90 I93 I94 W107 G186 V187 L188 Y192 S193 V194F34-F190 HydrophobicContact CE2-CB 3.9Å; F34-F190 HydrophobicContact CE2-CG 4.3Å; F34-F190 HydrophobicContact CZ-CB 4.2Å; F34-F190 HydrophobicContact CZ-CD1 4.03Å; F34-F190 HydrophobicContact CZ-CG 4.24Å; I54-F190 HydrophobicContact CG2-CD1 3.75Å; I54-F190 HydrophobicContact CG2-CE1 4.39Å; L90-F190 HydrophobicContact CB-CD2 4.21Å; L90-F190 HydrophobicContact CB-CE2 3.58Å; L90-F190 HydrophobicContact CB-CZ 3.97Å; L90-F190 HydrophobicContact CD1-CD2 4.41Å; L90-F190 HydrophobicContact CD2-CD1 3.79Å; L90-F190 HydrophobicContact CD2-CD2 3.79Å; L90-F190 HydrophobicContact CD2-CE1 3.6Å; L90-F190 HydrophobicContact CD2-CE2 3.63Å; L90-F190 HydrophobicContact CD2-CG 3.87Å; L90-F190 HydrophobicContact CD2-CZ 3.52Å; L90-F190 HydrophobicContact CG-CD2 4.34Å; L90-F190 HydrophobicContact CG-CE2 4.08Å; L90-F190 HydrophobicContact CG-CZ 4.31Å; I93-F190 HydrophobicContact CB-CZ 3.98Å; I93-F190 HydrophobicContact CD1-CE1 4.34Å; I93-F190 HydrophobicContact CD1-CZ 4.37Å; I93-F190 HydrophobicContact CG2-CE1 4.18Å; I93-F190 HydrophobicContact CG2-CZ 3.91Å; I94-F190 HydrophobicContact CD1-CE2 3.91Å; I94-F190 HydrophobicContact CD1-CZ 4.42Å; I94-F190 HydrophobicContact CG1-CE2 3.8Å; I94-F190 HydrophobicContact CG1-CZ 4.34Å; W107-F190 HydrophobicContact CH2-CD2 4.39Å; W107-F190 HydrophobicContact CZ3-CE2 4.48Å; G186-F190 WeakPolarHBondContact O-CB 3.3Å; G186-F190 PolarHBondContact O-N 3.3Å; V187-F190 PolarHBondContact O-N 3.28Å; L188-F190 PolarHBondContact O-N 3.25Å; F190-Y192 VanDerWaalsContact C-N 3.33Å; F190-Y192 PolarHBondContact O-N 2.94Å; F190-S193 WeakPolarHBondContact O-CB 3.33Å; F190-S193 PolarHBondContact O-N 3.49Å; F190-V194 HydrophobicContact CD1-CG2 4.24Å; F190-V194 HydrophobicContact CE1-CG2 3.77Å; F190-V194 HydrophobicContact CE2-CG2 4.24Å; F190-V194 HydrophobicContact CZ-CG2 3.76Å; F190-V194 WeakPolarHBondContact O-CG2 3.07Å; F190-V194 PolarHBondContact O-N 2.82Å
191L97.7Very high95.3Very high1 Ų125.1 Ų25.11%0.00512%0.124CC..Hα-helixtrans-55.5-47.9170.8170.667.1000111.1I16 W30 I54 V187 L188 S193 V194 L195 I215 L226I16-L191 HydrophobicContact CG2-CD2 4.18Å; W30-L191 HydrophobicContact CE3-CD2 4.38Å; W30-L191 HydrophobicContact CZ3-CD2 3.97Å; I54-L191 HydrophobicContact CD1-CB 4.05Å; I54-L191 HydrophobicContact CD1-CD1 3.96Å; I54-L191 HydrophobicContact CG1-CB 4.42Å; V187-L191 PolarHBondContact O-N 2.87Å; L188-L191 HydrophobicContact CD2-CD2 4.42Å; L188-L191 WeakPolarHBondContact O-CA 3.35Å; L188-L191 VanDerWaalsContact O-CB 3.32Å; L188-L191 WeakPolarHBondContact O-CB 3.42Å; L188-L191 PolarHBondContact O-N 3.45Å; L191-S193 VanDerWaalsContact C-N 3.34Å; L191-S193 PolarHBondContact O-N 3.15Å; L191-V194 PolarHBondContact O-N 3Å; L191-L195 HydrophobicContact CD1-CD1 3.73Å; L191-L195 HydrophobicContact CD1-CG 3.98Å; L191-L195 HydrophobicContact CG-CD1 3.93Å; L191-L195 HydrophobicContact CG-CG 4.47Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 2.83Å; L191-I215 HydrophobicContact CD2-CD1 3.97Å; L191-L226 HydrophobicContact CD1-CD1 3.68Å; L191-L226 HydrophobicContact CD1-CD2 3.95Å; L191-L226 HydrophobicContact CD1-CG 4.5Å
192Y96.4Very high95Very high0 Ų025.8 Ų25.80%013%0.13CC..Hα-helixtrans-64.3-37.5177-77.9-93.8000112.1V9 N13 I16 W17 F155 L159 L188 C189 F190 V194 L195 F196V9-Y192 HydrophobicContact CG1-CE1 3.98Å; V9-Y192 HydrophobicContact CG2-CD1 4.38Å; V9-Y192 HydrophobicContact CG2-CE1 4.42Å; N13-Y192 WeakPolarHBondContact OD1-CE1 3.41Å; N13-Y192 PolarHBondContact OD1-OH 2.77Å; I16-Y192 HydrophobicContact CD1-CD1 4.07Å; I16-Y192 HydrophobicContact CD1-CE1 3.54Å; I16-Y192 HydrophobicContact CD1-CE2 4.31Å; W17-Y192 PolarHBondContact NE1-OH 2.87Å; F155-Y192 AromaticContact CE1-CE2 3.74Å; F155-Y192 HydrophobicContact CE1-CE2 3.74Å; F155-Y192 HydrophobicContact CZ-CD2 4.12Å; F155-Y192 AromaticContact CZ-CE2 3.76Å; F155-Y192 HydrophobicContact CZ-CE2 3.76Å; L159-Y192 HydrophobicContact CD1-CD1 4.34Å; L159-Y192 HydrophobicContact CD1-CD2 4.47Å; L159-Y192 HydrophobicContact CD1-CE1 4.32Å; L159-Y192 HydrophobicContact CD1-CE2 4.47Å; L159-Y192 HydrophobicContact CD1-CG 4.43Å; L188-Y192 VanDerWaalsContact O-CD2 3.26Å; L188-Y192 WeakPolarHBondContact O-CD2 3.36Å; L188-Y192 PolarHBondContact O-N 3.45Å; C189-Y192 PolarHBondContact O-N 2.81Å; F190-Y192 VanDerWaalsContact C-N 3.33Å; F190-Y192 PolarHBondContact O-N 2.94Å; Y192-V194 PolarHBondContact O-N 3.21Å; Y192-L195 PolarHBondContact O-N 3.45Å; Y192-F196 AromaticContact CD1-CE1 3.97Å; Y192-F196 HydrophobicContact CD1-CE1 3.97Å; Y192-F196 HydrophobicContact CD1-CZ 4.36Å; Y192-F196 WeakPolarHBondContact O-CB 3.34Å; Y192-F196 WeakPolarHBondContact O-CD1 3.49Å; Y192-F196 WeakPolarHBondContact O-CG 3.11Å; Y192-F196 PolarHBondContact O-N 3.32Å
193S96.2Very high94.9Very high0 Ų020.2 Ų20.20%011%0.105CC..Hα-helixtrans-57.2-47.4173.2-57.40000112.1C106 V108 C189 F190 L191 T197C106-S193 WeakPolarHBondContact O-CA 3.49Å; C106-S193 WeakPolarHBondContact O-CB 3.28Å; V108-S193 PolarHBondContact N-OG 2.91Å; V108-S193 PolarHBondContact O-OG 2.78Å; C189-S193 PolarHBondContact O-N 3.06Å; C189-S193 PolarHBondContact O-OG 3.16Å; F190-S193 WeakPolarHBondContact O-CB 3.33Å; F190-S193 PolarHBondContact O-N 3.49Å; L191-S193 VanDerWaalsContact C-N 3.34Å; L191-S193 PolarHBondContact O-N 3.15Å; S193-T197 WeakPolarHBondContact O-CB 3.29Å; S193-T197 PolarHBondContact O-N 3.27Å; S193-T197 PolarHBondContact O-OG1 2.79Å
194V96.6Very high94.7Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-60.2-52.4177.8167.20000110.6I93 I94 V97 F190 L191 Y192 F196 T197 H198 L229 L230I93-V194 HydrophobicContact CG2-CG2 3.99Å; I94-V194 HydrophobicContact CD1-CB 4.41Å; I94-V194 HydrophobicContact CD1-CG2 3.75Å; V97-V194 HydrophobicContact CG1-CG1 3.98Å; V97-V194 HydrophobicContact CG2-CG1 4.18Å; F190-V194 HydrophobicContact CD1-CG2 4.24Å; F190-V194 HydrophobicContact CE1-CG2 3.77Å; F190-V194 HydrophobicContact CE2-CG2 4.24Å; F190-V194 HydrophobicContact CZ-CG2 3.76Å; F190-V194 WeakPolarHBondContact O-CG2 3.07Å; F190-V194 PolarHBondContact O-N 2.82Å; L191-V194 PolarHBondContact O-N 3Å; Y192-V194 PolarHBondContact O-N 3.21Å; V194-F196 PolarHBondContact O-N 3.44Å; V194-T197 PolarHBondContact O-N 3.34Å; V194-H198 WeakPolarHBondContact O-CB 3.49Å; V194-H198 PolarHBondContact O-N 3.16Å; V194-L229 HydrophobicContact CG1-CD2 4.1Å; V194-L229 HydrophobicContact CG1-CG 4.4Å; V194-L230 HydrophobicContact CG1-CD2 4Å; V194-L230 HydrophobicContact CG2-CD2 4.16Å
195L95Very high94.6Very high1 Ų120.9 Ų20.91%0.00511%0.111CC..Hα-helixtrans-67.6-38.3-175.9-65.8177.7000112.3F12 I16 L191 Y192 H198 G199 L203 L214 L229F12-L195 HydrophobicContact CD1-CB 3.81Å; F12-L195 HydrophobicContact CD1-CD1 4.42Å; F12-L195 HydrophobicContact CE1-CB 3.66Å; F12-L195 VanDerWaalsContact CE1-O 3.24Å; F12-L195 WeakPolarHBondContact CE1-O 3.22Å; F12-L195 WeakPolarHBondContact CZ-O 3.3Å; I16-L195 HydrophobicContact CD1-CD1 3.45Å; I16-L195 VanDerWaalsContact CD1-CD1 3.45Å; I16-L195 HydrophobicContact CG1-CD1 3.42Å; I16-L195 VanDerWaalsContact CG1-CD1 3.42Å; L191-L195 HydrophobicContact CD1-CD1 3.73Å; L191-L195 HydrophobicContact CD1-CG 3.98Å; L191-L195 HydrophobicContact CG-CD1 3.93Å; L191-L195 HydrophobicContact CG-CG 4.47Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 2.83Å; Y192-L195 PolarHBondContact O-N 3.45Å; L195-H198 PolarHBondContact O-N 3.16Å; L195-G199 PolarHBondContact O-N 2.78Å; L195-L203 HydrophobicContact CD2-CD1 4.38Å; L195-L203 HydrophobicContact CD2-CD2 4.17Å; L195-L214 HydrophobicContact CD1-CD1 3.97Å; L195-L214 HydrophobicContact CD2-CD1 3.63Å; L195-L214 HydrophobicContact CG-CD1 4.47Å; L195-L229 HydrophobicContact CD2-CD2 3.76Å
196F93.8Very high94.4Very high3 Ų322.5 Ų22.51%0.01312%0.119CC..Hα-helixtrans-66-42.7176.4-80.221.2000110.8R8 V9 F12 C106 V108 Y192 V194 H198 G199R8-F196 HydrophobicContact CB-CE2 4.26Å; R8-F196 HydrophobicContact CB-CZ 3.97Å; R8-F196 HydrophobicContact CG-CD1 4.41Å; R8-F196 HydrophobicContact CG-CD2 4.44Å; R8-F196 HydrophobicContact CG-CE1 3.94Å; R8-F196 HydrophobicContact CG-CE2 3.97Å; R8-F196 HydrophobicContact CG-CZ 3.68Å; R8-F196 PolarHBondContact NH2-O 3.29Å; V9-F196 HydrophobicContact CB-CZ 4.42Å; V9-F196 HydrophobicContact CG2-CE2 4.36Å; V9-F196 HydrophobicContact CG2-CZ 3.63Å; F12-F196 HydrophobicContact CB-CE1 4.2Å; F12-F196 HydrophobicContact CD1-CD1 4.46Å; F12-F196 AromaticContact CD2-CD1 3.73Å; F12-F196 HydrophobicContact CD2-CD1 3.73Å; F12-F196 AromaticContact CD2-CE1 3.42Å; F12-F196 HydrophobicContact CD2-CE1 3.42Å; F12-F196 VanDerWaalsContact CD2-CE1 3.42Å; F12-F196 HydrophobicContact CD2-CZ 4.43Å; F12-F196 HydrophobicContact CE1-CD1 4.42Å; F12-F196 AromaticContact CE2-CD1 3.66Å; F12-F196 HydrophobicContact CE2-CD1 3.66Å; F12-F196 AromaticContact CE2-CE1 3.82Å; F12-F196 HydrophobicContact CE2-CE1 3.82Å; F12-F196 HydrophobicContact CG-CD1 4.11Å; F12-F196 AromaticContact CG-CE1 3.82Å; F12-F196 HydrophobicContact CG-CE1 3.82Å; F12-F196 HydrophobicContact CZ-CD1 4.01Å; C106-F196 HydrophobicContact CB-CB 3.47Å; C106-F196 VanDerWaalsContact CB-CB 3.47Å; C106-F196 HydrophobicContact CB-CD2 4.48Å; V108-F196 HydrophobicContact CG2-CD2 3.69Å; V108-F196 HydrophobicContact CG2-CE2 4.04Å; V108-F196 HydrophobicContact CG2-CG 4.23Å; Y192-F196 AromaticContact CD1-CE1 3.97Å; Y192-F196 HydrophobicContact CD1-CE1 3.97Å; Y192-F196 HydrophobicContact CD1-CZ 4.36Å; Y192-F196 WeakPolarHBondContact O-CB 3.34Å; Y192-F196 WeakPolarHBondContact O-CD1 3.49Å; Y192-F196 WeakPolarHBondContact O-CG 3.11Å; Y192-F196 PolarHBondContact O-N 3.32Å; V194-F196 PolarHBondContact O-N 3.44Å; F196-H198 VanDerWaalsContact C-N 3.34Å; F196-H198 PolarHBondContact O-N 3.29Å; F196-G199 PolarHBondContact O-N 2.97Å
197T94.2Very high94.2Very high14 Ų1422.7 Ų22.79%0.08612%0.12CC..Hα-helixtrans-63.8-39.6176.9-58.50000111.9I94 V97 F105 C106 S193 V194I94-T197 HydrophobicContact CG2-CG2 4.02Å; V97-T197 HydrophobicContact CG2-CG2 4.1Å; F105-T197 HydrophobicContact CD1-CG2 4.26Å; C106-T197 PolarHBondContact N-OG1 2.77Å; C106-T197 PolarHBondContact O-OG1 2.7Å; S193-T197 WeakPolarHBondContact O-CB 3.29Å; S193-T197 PolarHBondContact O-N 3.27Å; S193-T197 PolarHBondContact O-OG1 2.79Å; V194-T197 PolarHBondContact O-N 3.34Å
198H93.7Very high93.5Very high19 Ų1926.8 Ų26.89%0.08814%0.141CC..Hα-helixtrans-72-37.7179.4-173.164.1000113.1V97 V194 L195 F196 E206 L229 G233V97-H198 HydrophobicContact CB-CB 4.17Å; V97-H198 HydrophobicContact CG2-CB 4.45Å; V97-H198 PolarHBondContact O-ND1 2.83Å; V194-H198 WeakPolarHBondContact O-CB 3.49Å; V194-H198 PolarHBondContact O-N 3.16Å; L195-H198 PolarHBondContact O-N 3.16Å; F196-H198 VanDerWaalsContact C-N 3.34Å; F196-H198 PolarHBondContact O-N 3.29Å; H198-E206 IonicContact CE1-OE1 3.63Å; H198-E206 IonicContact CE1-OE2 2.82Å; H198-E206 PolarHBondContact CE1-OE2 3.1Å; H198-E206 IonicContact NE2-OE1 3.78Å; H198-E206 IonicContact NE2-OE2 3.66Å; H198-E206 PolarHBondContact NE2-OE2 2.86Å; H198-L229 HydrophobicContact CB-CD1 4.27Å; H198-L229 WeakPolarHBondContact ND1-CD1 3.24Å; H198-G233 PolarHBondContact CE1-O 2.83Å
199G91.7Very high92.8Very high14 Ų1430 Ų3014%0.14418%0.175CC..  trans92.6140.7177.600000113.8L195 F196 Q201 L203L195-G199 PolarHBondContact O-N 2.78Å; F196-G199 PolarHBondContact O-N 2.97Å; G199-Q201 PolarHBondContact O-N 3.32Å; G199-L203 WeakPolarHBondContact O-CB 3.17Å; G199-L203 PolarHBondContact O-N 3.01Å; G199-L203 VanDerWaalsContact O-N 3.11Å
200L91.2Very high92.1Very high27 Ų2734.8 Ų34.814%0.14120%0.197CC..Hα-helixtrans-66.7-39.3-171.8-17760000113.1E11 F12 V15 L203 I204E11-L200 HydrophobicContact CB-CD2 3.63Å; F12-L200 HydrophobicContact CD1-CD1 4.04Å; F12-L200 HydrophobicContact CD2-CB 4.42Å; F12-L200 HydrophobicContact CE1-CB 4.06Å; F12-L200 HydrophobicContact CE1-CD1 4.11Å; F12-L200 HydrophobicContact CE2-CB 3.8Å; F12-L200 HydrophobicContact CG-CD1 4.31Å; F12-L200 HydrophobicContact CZ-CB 3.62Å; F12-L200 HydrophobicContact CZ-CD1 4.46Å; V15-L200 HydrophobicContact CB-CD1 4.46Å; V15-L200 HydrophobicContact CG2-CD1 3.88Å; L200-L203 HydrophobicContact CD1-CD2 4.4Å; L200-L203 WeakPolarHBondContact O-CB 3.37Å; L200-L203 PolarHBondContact O-N 3.32Å; L200-I204 HydrophobicContact CD1-CD1 3.85Å; L200-I204 HydrophobicContact CD1-CG1 4.17Å; L200-I204 HydrophobicContact CG-CD1 3.81Å; L200-I204 HydrophobicContact CG-CG1 4.48Å; L200-I204 VanDerWaalsContact O-CG1 3.32Å; L200-I204 WeakPolarHBondContact O-CG1 3.48Å; L200-I204 PolarHBondContact O-N 2.76Å
201Q90.1Very high91.1Very high129 Ų12938 Ų3860%0.60321%0.213SC*.Hα-helixtrans-69.1-43.4-178-71-63.5-19.900111.8G199 L203 I204 N205G199-Q201 PolarHBondContact O-N 3.32Å; Q201-L203 VanDerWaalsContact C-N 3.33Å; Q201-I204 PolarHBondContact O-N 2.82Å; Q201-N205 WeakPolarHBondContact O-CB 3.48Å; Q201-N205 PolarHBondContact O-N 2.84Å; Q201-N205 PolarHBondContact O-ND2 3.06Å
202S91.4Very high90.3Very high23 Ų2345.2 Ų45.216%0.16125%0.251CS..Hα-helixtrans-58.8-48.4173.7-53.20000110.4I204 N205 E206S202-I204 PolarHBondContact O-N 3.34Å; S202-N205 PolarHBondContact O-N 2.65Å; S202-E206 WeakPolarHBondContact O-CB 3.41Å; S202-E206 VanDerWaalsContact O-CG 3.26Å; S202-E206 WeakPolarHBondContact O-CG 3.43Å; S202-E206 PolarHBondContact O-N 3.2Å
203L92.5Very high90.1Very high1 Ų145.7 Ų45.71%0.00526%0.255CS..Hα-helixtrans-53.6-54177.6-178.867.6000112.4F12 V15 L195 G199 L200 Q201 N205 E206 M207 L214 L229 S235F12-L203 HydrophobicContact CD1-CD2 4.45Å; F12-L203 HydrophobicContact CE1-CD2 4.27Å; V15-L203 HydrophobicContact CG1-CD2 3.81Å; V15-L203 HydrophobicContact CG1-CG 4.41Å; L195-L203 HydrophobicContact CD2-CD1 4.38Å; L195-L203 HydrophobicContact CD2-CD2 4.17Å; G199-L203 WeakPolarHBondContact O-CB 3.17Å; G199-L203 PolarHBondContact O-N 3.01Å; G199-L203 VanDerWaalsContact O-N 3.11Å; L200-L203 HydrophobicContact CD1-CD2 4.4Å; L200-L203 WeakPolarHBondContact O-CB 3.37Å; L200-L203 PolarHBondContact O-N 3.32Å; Q201-L203 VanDerWaalsContact C-N 3.33Å; L203-N205 VanDerWaalsContact C-N 3.34Å; L203-N205 PolarHBondContact O-N 3.5Å; L203-E206 PolarHBondContact O-N 2.97Å; L203-M207 HydrophobicContact CD1-SD 4.18Å; L203-M207 HydrophobicContact CG-SD 3.97Å; L203-M207 VanDerWaalsContact O-CG 3.26Å; L203-M207 WeakPolarHBondContact O-CG 3.4Å; L203-M207 PolarHBondContact O-N 3.28Å; L203-L214 HydrophobicContact CD1-CD1 4.19Å; L203-L214 HydrophobicContact CD1-CD2 4.26Å; L203-L214 HydrophobicContact CD2-CD1 3.96Å; L203-L229 HydrophobicContact CD1-CD2 4.34Å; L203-S235 VanDerWaalsContact CD1-OG 3.31Å; L203-S235 WeakPolarHBondContact CD1-OG 3.46Å
204I91.4Very high90.1Very high72 Ų7245.7 Ų45.737%0.36926%0.255SS..Hα-helixtrans-62.8-41.7-177.8-69.7169.7000111.2V15 L200 Q201 S202 E206V15-I204 HydrophobicContact CG2-CD1 4.28Å; V15-I204 HydrophobicContact CG2-CG1 4.21Å; L200-I204 HydrophobicContact CD1-CD1 3.85Å; L200-I204 HydrophobicContact CD1-CG1 4.17Å; L200-I204 HydrophobicContact CG-CD1 3.81Å; L200-I204 HydrophobicContact CG-CG1 4.48Å; L200-I204 VanDerWaalsContact O-CG1 3.32Å; L200-I204 WeakPolarHBondContact O-CG1 3.48Å; L200-I204 PolarHBondContact O-N 2.76Å; Q201-I204 PolarHBondContact O-N 2.82Å; S202-I204 PolarHBondContact O-N 3.34Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 2.7Å
205N91Very high90Very high105 Ų10545.7 Ų45.756%0.56126%0.255SS*.Hα-helixtrans-65.6-38.8179.4-69.3-27.1000111.8Q201 S202 L203 N208Q201-N205 WeakPolarHBondContact O-CB 3.48Å; Q201-N205 PolarHBondContact O-N 2.84Å; Q201-N205 PolarHBondContact O-ND2 3.06Å; S202-N205 PolarHBondContact O-N 2.65Å; L203-N205 VanDerWaalsContact C-N 3.34Å; L203-N205 PolarHBondContact O-N 3.5Å; N205-N208 PolarHBondContact O-N 2.73Å
206E92.9Very high89.8Confident48 Ų4848.4 Ų48.422%0.22427%0.27CS..Hα-helixtrans-75.4-31.2-178.7-71171.6-167.400113.1H198 S202 L203 I204 N208 E234 S235H198-E206 IonicContact CE1-OE1 3.63Å; H198-E206 IonicContact CE1-OE2 2.82Å; H198-E206 PolarHBondContact CE1-OE2 3.1Å; H198-E206 IonicContact NE2-OE1 3.78Å; H198-E206 IonicContact NE2-OE2 3.66Å; H198-E206 PolarHBondContact NE2-OE2 2.86Å; S202-E206 WeakPolarHBondContact O-CB 3.41Å; S202-E206 VanDerWaalsContact O-CG 3.26Å; S202-E206 WeakPolarHBondContact O-CG 3.43Å; S202-E206 PolarHBondContact O-N 3.2Å; L203-E206 PolarHBondContact O-N 2.97Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 2.7Å; E206-N208 PolarHBondContact O-N 2.6Å; E206-E234 WeakPolarHBondContact OE2-CA 3.12Å; E206-S235 PolarHBondContact OE2-N 3.36Å
207M91.6Very high89.6Confident7 Ų750.9 Ų50.93%0.03429%0.286CS..Hα-helixtrans-65-18.5172.3-71.1171.968.500112.7V15 L203 G209 E210 M211 L214 C225V15-M207 HydrophobicContact CG1-CE 4.15Å; V15-M207 HydrophobicContact CG1-SD 3.75Å; L203-M207 HydrophobicContact CD1-SD 4.18Å; L203-M207 HydrophobicContact CG-SD 3.97Å; L203-M207 VanDerWaalsContact O-CG 3.26Å; L203-M207 WeakPolarHBondContact O-CG 3.4Å; L203-M207 PolarHBondContact O-N 3.28Å; M207-G209 PolarHBondContact O-N 3.2Å; M207-E210 PolarHBondContact O-N 3.25Å; M207-M211 HydrophobicContact CE-CB 3.67Å; M207-M211 WeakPolarHBondContact CE-O 3.3Å; M207-L214 HydrophobicContact CE-CD2 4.15Å; M207-L214 HydrophobicContact SD-CD2 3.92Å; M207-L214 HydrophobicContact SD-CG 4.5Å; M207-C225 HydrophobicContact CG-CB 4.05Å
208N84.1Confident89.4Confident86 Ų8655.6 Ų55.646%0.4631%0.31SS..THydrogen-bonded Turntrans5327.2174.7-163.351000114.8N205 E206 E210N205-N208 PolarHBondContact O-N 2.73Å; E206-N208 PolarHBondContact O-N 2.6Å; N208-E210 PolarHBondContact O-N 2.77Å
209G82Confident89.2Confident68 Ų6860.1 Ų60.170%0.70133%0.33SS*.THydrogen-bonded Turntrans69.17.1-178.200000115.5M207 M211M207-G209 PolarHBondContact O-N 3.2Å; G209-M211 VanDerWaalsContact C-N 3.29Å; G209-M211 PolarHBondContact O-N 2.86Å
210E81.6Confident89.2Confident108 Ų10859.5 Ų59.551%0.50532%0.324SS..SBendtrans-76.8-17.5179.9-67-66.6153.700113M207 N208 P237 Y238M207-E210 PolarHBondContact O-N 3.25Å; N208-E210 PolarHBondContact O-N 2.77Å; E210-P237 HydrophobicContact CB-CB 4.33Å; E210-P237 HydrophobicContact CB-CG 3.91Å; E210-P237 HydrophobicContact CG-CG 3.89Å; E210-Y238 WeakPolarHBondContact CG-OH 3.23Å; E210-Y238 PolarHBondContact OE1-OH 2.81Å; E210-Y238 VanDerWaalsContact OE1-OH 3.1Å
211M78Confident89.2Confident73 Ų7360.5 Ų60.536%0.3633%0.327SS..  trans-137.7134.4-174.1-66.4-74.4-173.900110.4M207 G209M207-M211 HydrophobicContact CE-CB 3.67Å; M207-M211 WeakPolarHBondContact CE-O 3.3Å; G209-M211 VanDerWaalsContact C-N 3.29Å; G209-M211 PolarHBondContact O-N 2.86Å
212D80.9Confident89.4Confident151 Ų15155.2 Ų55.281%0.80731%0.306SS*.SBendtrans-86.9-22.8176-67.4-40.4000112.8
213A92.7Very high89.6Confident10 Ų1054.7 Ų54.78%0.08330%0.302CS..  trans-146.9145.2-174.900000112.7V15 I215 P217V15-A213 CarbonylContact O-C 3.37Å; V15-A213 VanDerWaalsContact O-CA 3.25Å; V15-A213 WeakPolarHBondContact O-CA 3.49Å; A213-I215 WeakPolarHBondContact CB-O 3.43Å; A213-P217 HydrophobicContact CB-CG 4.07Å
214L95.4Very high89.7Confident0 Ų056.5 Ų56.50%031%0.311CS..SBendtrans-78.1-28.7173-67.7178.1000113V15 I16 L195 L203 M207 A222 S223 C225 L226V15-L214 HydrophobicContact CG1-CG 4.25Å; V15-L214 PolarHBondContact O-N 3.02Å; I16-L214 PolarHBondContact O-N 3.17Å; L195-L214 HydrophobicContact CD1-CD1 3.97Å; L195-L214 HydrophobicContact CD2-CD1 3.63Å; L195-L214 HydrophobicContact CG-CD1 4.47Å; L203-L214 HydrophobicContact CD1-CD1 4.19Å; L203-L214 HydrophobicContact CD1-CD2 4.26Å; L203-L214 HydrophobicContact CD2-CD1 3.96Å; M207-L214 HydrophobicContact CE-CD2 4.15Å; M207-L214 HydrophobicContact SD-CD2 3.92Å; M207-L214 HydrophobicContact SD-CG 4.5Å; L214-A222 CarbonylContact O-C 3.57Å; L214-A222 WeakPolarHBondContact O-CA 3.42Å; L214-S223 WeakPolarHBondContact CA-OG 3.49Å; L214-S223 PolarHBondContact O-N 3.37Å; L214-S223 PolarHBondContact O-OG 3.21Å; L214-C225 HydrophobicContact CD2-CB 3.91Å; L214-L226 HydrophobicContact CB-CB 4.37Å; L214-L226 HydrophobicContact CB-CD2 4.48Å; L214-L226 HydrophobicContact CD2-CB 4.18Å
215I95.2Very high89.9Confident0 Ų053 Ų530%029%0.293CS..BIsolated β-bridgetrans-115119.5172.7-59.3174.2000106.8I16 W17 L26 W30 L191 A213 P217I16-I215 HydrophobicContact CG2-CD1 3.72Å; I16-I215 HydrophobicContact CG2-CG1 4.24Å; I16-I215 WeakPolarHBondContact O-CB 3.43Å; I16-I215 PolarHBondContact O-N 3.25Å; W17-I215 HydrophobicContact CD2-CD1 4.39Å; W17-I215 HydrophobicContact CE3-CB 4.19Å; W17-I215 HydrophobicContact CE3-CD1 3.86Å; W17-I215 HydrophobicContact CE3-CG2 4.16Å; W17-I215 HydrophobicContact CH2-CD1 3.69Å; W17-I215 HydrophobicContact CZ2-CD1 4.21Å; W17-I215 HydrophobicContact CZ3-CB 4.34Å; W17-I215 HydrophobicContact CZ3-CD1 3.46Å; W17-I215 VanDerWaalsContact CZ3-CD1 3.46Å; W17-I215 HydrophobicContact CZ3-CG1 4.49Å; W17-I215 HydrophobicContact CZ3-CG2 4.01Å; L26-I215 HydrophobicContact CD2-CG2 4.13Å; W30-I215 HydrophobicContact CD2-CD1 3.85Å; W30-I215 HydrophobicContact CE3-CD1 3.94Å; W30-I215 HydrophobicContact CH2-CD1 3.64Å; W30-I215 HydrophobicContact CH2-CG1 3.79Å; W30-I215 HydrophobicContact CZ2-CB 4.37Å; W30-I215 HydrophobicContact CZ2-CD1 3.54Å; W30-I215 HydrophobicContact CZ2-CG1 3.59Å; W30-I215 HydrophobicContact CZ2-CG2 3.92Å; W30-I215 HydrophobicContact CZ3-CD1 3.85Å; W30-I215 HydrophobicContact CZ3-CG1 4.47Å; L191-I215 HydrophobicContact CD2-CD1 3.97Å; A213-I215 WeakPolarHBondContact CB-O 3.43Å; I215-P217 WeakPolarHBondContact O-CD 3.35Å
216D91.5Very high90.2Very high59 Ų5948 Ų4832%0.31627%0.266SS..  trans-56.2120.9-178.4-179.6-84.8000110.5L26 I218 H219 G220 H221L26-D216 WeakPolarHBondContact CD1-O 3.29Å; D216-I218 PolarHBondContact O-N 3.19Å; D216-I218 VanDerWaalsContact O-N 3.1Å; D216-I218 WeakPolarHBondContact OD1-CA 3.27Å; D216-I218 WeakPolarHBondContact OD1-CB 3.46Å; D216-I218 PolarHBondContact OD1-N 3.19Å; D216-H219 IonicContact OD1-CD2 3.99Å; D216-H219 PolarHBondContact OD1-CD2 2.82Å; D216-H219 IonicContact OD1-CG 3.74Å; D216-H219 PolarHBondContact OD1-N 3.34Å; D216-G220 WeakPolarHBondContact O-CA 3.45Å; D216-G220 PolarHBondContact O-N 3.03Å; D216-H221 PolarHBondContact N-O 3.48Å
217P89.6Confident90.4Very high55 Ų5546.2 Ų46.236%0.35726%0.258SS..THydrogen-bonded Turntrans-67.7-12.5-174.2-22.133.6000114.6K23 A213 I215K23-P217 PolarHBondContact NZ-O 3.02Å; A213-P217 HydrophobicContact CB-CG 4.07Å; I215-P217 WeakPolarHBondContact O-CD 3.35Å
218I88.7Confident90.7Very high113 Ų11345.9 Ų45.958%0.57926%0.256SS*.THydrogen-bonded Turntrans-97.6-54.4-176.8-57.2177000109.9D216D216-I218 PolarHBondContact O-N 3.19Å; D216-I218 VanDerWaalsContact O-N 3.1Å; D216-I218 WeakPolarHBondContact OD1-CA 3.27Å; D216-I218 WeakPolarHBondContact OD1-CB 3.46Å; D216-I218 PolarHBondContact OD1-N 3.19Å
219H89.8Confident91.3Very high114 Ų11441.8 Ų41.853%0.52823%0.234SC..THydrogen-bonded Turntrans-102-21.2-171.2-56.3-74.1000112.8R29 D216 H221R29-H219 PolarHBondContact NH1-O 2.78Å; R29-H219 VanDerWaalsContact NH1-O 3.11Å; R29-H219 PolarHBondContact NH2-O 3.4Å; D216-H219 IonicContact OD1-CD2 3.99Å; D216-H219 PolarHBondContact OD1-CD2 2.82Å; D216-H219 IonicContact OD1-CG 3.74Å; D216-H219 PolarHBondContact OD1-N 3.34Å; H219-H221 VanDerWaalsContact C-N 3.28Å; H219-H221 PolarHBondContact O-N 3.24Å
220G91.5Very high92.1Very high0 Ų038.7 Ų38.70%020%0.202CC..  trans70.918.3176.100000115.2W30 G50 D216W30-G220 PolarHBondContact NE1-O 3.11Å; G50-G220 WeakPolarHBondContact CA-O 3.32Å; D216-G220 WeakPolarHBondContact O-CA 3.45Å; D216-G220 PolarHBondContact O-N 3.03Å
221H92Very high92.9Very high48 Ų4833.7 Ų33.722%0.22218%0.178CC..PPolyproline II helixtrans-83.3153.9169.8-56.4-63.5000109.8D216 H219 T292D216-H221 PolarHBondContact N-O 3.48Å; H219-H221 VanDerWaalsContact C-N 3.28Å; H219-H221 PolarHBondContact O-N 3.24Å; H221-T292 PolarHBondContact CE1-O 2.81Å; H221-T292 PolarHBondContact ND1-O 2.76Å
222A94Very high93.7Very high18 Ų1830.3 Ų30.315%0.14916%0.162CC..BIsolated β-bridgetrans-71.4142.3174.700000111.3A53 L214 L226 I227A53-A222 HydrophobicContact CB-CB 3.26Å; L214-A222 CarbonylContact O-C 3.57Å; L214-A222 WeakPolarHBondContact O-CA 3.42Å; A222-L226 HydrophobicContact CB-CB 4.34Å; A222-L226 HydrophobicContact CB-CD2 3.84Å; A222-L226 HydrophobicContact CB-CG 4.34Å; A222-I227 HydrophobicContact CB-CG1 4.42Å
223S94.8Very high94.5Very high13 Ų1323.4 Ų23.49%0.09113%0.127CC..PPolyproline II helixtrans-66.1160.5168.365.30000111.8L214 C225 L226 I227L214-S223 WeakPolarHBondContact CA-OG 3.49Å; L214-S223 PolarHBondContact O-N 3.37Å; L214-S223 PolarHBondContact O-OG 3.21Å; S223-C225 PolarHBondContact O-N 2.86Å; S223-L226 PolarHBondContact O-N 3.24Å; S223-L226 PolarHBondContact OG-N 2.98Å; S223-I227 WeakPolarHBondContact O-CG1 3.29Å; S223-I227 PolarHBondContact O-N 3.41Å
224Q95.1Very high94.5Very high38 Ų3824 Ų2418%0.17813%0.128CC..Hα-helixtrans-60.8-33.2171.8-167.658.957.200112.2L226 I227 N228 P237 L239Q224-L226 VanDerWaalsContact C-N 3.33Å; Q224-L226 PolarHBondContact O-N 2.99Å; Q224-I227 PolarHBondContact O-N 2.93Å; Q224-N228 PolarHBondContact NE2-OD1 3.41Å; Q224-N228 WeakPolarHBondContact O-CB 3.09Å; Q224-N228 PolarHBondContact O-N 2.94Å; Q224-P237 WeakPolarHBondContact CG-O 3.31Å; Q224-L239 HydrophobicContact CG-CD2 4.05Å; Q224-L239 HydrophobicContact CG-CG 4.34Å
225C96.2Very high94.5Very high0 Ų024 Ų240%013%0.128CC..Hα-helixtrans-57.8-43.4175-64.40000112.1M207 L214 S223 L229 S235M207-C225 HydrophobicContact CG-CB 4.05Å; L214-C225 HydrophobicContact CD2-CB 3.91Å; S223-C225 PolarHBondContact O-N 2.86Å; C225-L229 WeakPolarHBondContact O-CB 3.26Å; C225-L229 PolarHBondContact O-N 3.12Å; C225-S235 VanDerWaalsContact C-OG 3.3Å; C225-S235 VanDerWaalsContact CB-O 3.28Å; C225-S235 WeakPolarHBondContact CB-O 3.37Å; C225-S235 WeakPolarHBondContact CB-OG 3.46Å; C225-S235 WeakPolarHBondContact O-CA 3.44Å; C225-S235 PolarHBondContact O-OG 2.77Å; C225-S235 PolarHBondContact SG-O 2.75Å
226L96.9Very high94.5Very high0 Ų024.4 Ų24.40%013%0.13CC..Hα-helixtrans-69.1-41.4178.1179.254.8000111.2W30 L191 L214 A222 S223 Q224 L229 L230W30-L226 HydrophobicContact CH2-CD2 4.32Å; L191-L226 HydrophobicContact CD1-CD1 3.68Å; L191-L226 HydrophobicContact CD1-CD2 3.95Å; L191-L226 HydrophobicContact CD1-CG 4.5Å; L214-L226 HydrophobicContact CB-CB 4.37Å; L214-L226 HydrophobicContact CB-CD2 4.48Å; L214-L226 HydrophobicContact CD2-CB 4.18Å; A222-L226 HydrophobicContact CB-CB 4.34Å; A222-L226 HydrophobicContact CB-CD2 3.84Å; A222-L226 HydrophobicContact CB-CG 4.34Å; S223-L226 PolarHBondContact O-N 3.24Å; S223-L226 PolarHBondContact OG-N 2.98Å; Q224-L226 VanDerWaalsContact C-N 3.33Å; Q224-L226 PolarHBondContact O-N 2.99Å; L226-L229 PolarHBondContact O-N 3.1Å; L226-L230 HydrophobicContact CD1-CD1 4.02Å; L226-L230 HydrophobicContact CD1-CG 4.26Å; L226-L230 HydrophobicContact CG-CD1 4.07Å; L226-L230 WeakPolarHBondContact O-CD1 3.36Å; L226-L230 VanDerWaalsContact O-CG 3.26Å; L226-L230 WeakPolarHBondContact O-CG 3.19Å; L226-L230 PolarHBondContact O-N 2.76Å; L226-L230 VanDerWaalsContact O-N 3.17Å
227I97.5Very high94.6Very high9 Ų922.5 Ų22.55%0.04612%0.121CC..Hα-helixtrans-61.5-49.3177.2-63.3166.7000110.1A53 A222 S223 Q224 L229 L230 I231 F262 L294A53-I227 HydrophobicContact CB-CG1 3.99Å; A222-I227 HydrophobicContact CB-CG1 4.42Å; S223-I227 WeakPolarHBondContact O-CG1 3.29Å; S223-I227 PolarHBondContact O-N 3.41Å; Q224-I227 PolarHBondContact O-N 2.93Å; I227-L229 VanDerWaalsContact C-N 3.33Å; I227-L229 PolarHBondContact O-N 3.38Å; I227-L230 PolarHBondContact O-N 2.93Å; I227-I231 HydrophobicContact CG2-CD1 3.56Å; I227-I231 HydrophobicContact CG2-CG1 4.44Å; I227-I231 VanDerWaalsContact O-CG1 3.26Å; I227-I231 WeakPolarHBondContact O-CG1 3.1Å; I227-I231 PolarHBondContact O-N 3.38Å; I227-I231 VanDerWaalsContact O-N 3.09Å; I227-F262 HydrophobicContact CG2-CD2 4.1Å; I227-F262 HydrophobicContact CG2-CE2 3.95Å; I227-L294 HydrophobicContact CD1-CD1 3.89Å; I227-L294 HydrophobicContact CD1-CD2 4.27Å; I227-L294 HydrophobicContact CG1-CD1 4.01Å
228N97.4Very high94.9Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-63-38.7179.4-77.3-7.8000112.1Q224 L230 I231 T232 E234 T236 Y238Q224-N228 PolarHBondContact NE2-OD1 3.41Å; Q224-N228 WeakPolarHBondContact O-CB 3.09Å; Q224-N228 PolarHBondContact O-N 2.94Å; N228-L230 VanDerWaalsContact C-N 3.32Å; N228-L230 PolarHBondContact O-N 2.6Å; N228-I231 PolarHBondContact O-N 3Å; N228-T232 WeakPolarHBondContact O-CB 3.28Å; N228-T232 PolarHBondContact O-N 2.93Å; N228-T232 PolarHBondContact O-OG1 2.86Å; N228-E234 CarbonylContact C-O 3.58Å; N228-E234 WeakPolarHBondContact CB-O 3.35Å; N228-T236 WeakPolarHBondContact CB-O 3.37Å; N228-T236 PolarHBondContact ND2-O 2.69Å; N228-Y238 PolarHBondContact ND2-O 3.22Å
229L97.2Very high95.3Very high0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-58.4-46.3175.8175.660.1000111.1V97 V194 L195 H198 L203 C225 L226 I227 I231 G233 E234V97-L229 HydrophobicContact CB-CD1 4.08Å; V97-L229 HydrophobicContact CG1-CD1 3.68Å; V97-L229 HydrophobicContact CG1-CG 3.96Å; V194-L229 HydrophobicContact CG1-CD2 4.1Å; V194-L229 HydrophobicContact CG1-CG 4.4Å; L195-L229 HydrophobicContact CD2-CD2 3.76Å; H198-L229 HydrophobicContact CB-CD1 4.27Å; H198-L229 WeakPolarHBondContact ND1-CD1 3.24Å; L203-L229 HydrophobicContact CD1-CD2 4.34Å; C225-L229 WeakPolarHBondContact O-CB 3.26Å; C225-L229 PolarHBondContact O-N 3.12Å; L226-L229 PolarHBondContact O-N 3.1Å; I227-L229 VanDerWaalsContact C-N 3.33Å; I227-L229 PolarHBondContact O-N 3.38Å; L229-I231 VanDerWaalsContact C-N 3.31Å; L229-I231 PolarHBondContact O-N 3.43Å; L229-G233 VanDerWaalsContact O-CA 3.28Å; L229-G233 WeakPolarHBondContact O-CA 3.38Å; L229-G233 PolarHBondContact O-N 3.3Å; L229-E234 VanDerWaalsContact CA-O 3.24Å; L229-E234 WeakPolarHBondContact CA-O 3.43Å; L229-E234 PolarHBondContact N-O 3.37Å
230L98.1Very high95.5Very high4 Ų412.4 Ų12.42%0.0217%0.066CC..Hα-helixtrans-69.6-26.1-179-66163.6000113.2A53 I54 T57 I93 L96 V194 L226 I227 N228A53-L230 HydrophobicContact CB-CD1 4.23Å; I54-L230 HydrophobicContact CD1-CD1 3.74Å; I54-L230 HydrophobicContact CD1-CD2 4.01Å; T57-L230 HydrophobicContact CG2-CB 3.65Å; T57-L230 HydrophobicContact CG2-CD1 4.12Å; I93-L230 HydrophobicContact CG2-CD2 3.85Å; L96-L230 WeakPolarHBondContact CD2-O 3.38Å; V194-L230 HydrophobicContact CG1-CD2 4Å; V194-L230 HydrophobicContact CG2-CD2 4.16Å; L226-L230 HydrophobicContact CD1-CD1 4.02Å; L226-L230 HydrophobicContact CD1-CG 4.26Å; L226-L230 HydrophobicContact CG-CD1 4.07Å; L226-L230 WeakPolarHBondContact O-CD1 3.36Å; L226-L230 VanDerWaalsContact O-CG 3.26Å; L226-L230 WeakPolarHBondContact O-CG 3.19Å; L226-L230 PolarHBondContact O-N 2.76Å; L226-L230 VanDerWaalsContact O-N 3.17Å; I227-L230 PolarHBondContact O-N 2.93Å; N228-L230 VanDerWaalsContact C-N 3.32Å; N228-L230 PolarHBondContact O-N 2.6Å
231I97.8Very high95.5Very high2 Ų214.3 Ų14.31%0.018%0.076CC..Hα-helixtrans-92.4-37.1-178-64.7173.5000112.4T57 L96 I227 N228 L229 P258 T260 F262 L278 I287T57-I231 HydrophobicContact CG2-CG1 4.04Å; L96-I231 WeakPolarHBondContact CD2-O 3.47Å; I227-I231 HydrophobicContact CG2-CD1 3.56Å; I227-I231 HydrophobicContact CG2-CG1 4.44Å; I227-I231 VanDerWaalsContact O-CG1 3.26Å; I227-I231 WeakPolarHBondContact O-CG1 3.1Å; I227-I231 PolarHBondContact O-N 3.38Å; I227-I231 VanDerWaalsContact O-N 3.09Å; N228-I231 PolarHBondContact O-N 3Å; L229-I231 VanDerWaalsContact C-N 3.31Å; L229-I231 PolarHBondContact O-N 3.43Å; I231-P258 HydrophobicContact CG2-CB 3.85Å; I231-P258 HydrophobicContact CG2-CG 4.03Å; I231-P258 WeakPolarHBondContact O-CB 3.33Å; I231-T260 WeakPolarHBondContact CG2-O 3.37Å; I231-F262 HydrophobicContact CD1-CB 4.02Å; I231-F262 HydrophobicContact CD1-CD2 4.07Å; I231-F262 HydrophobicContact CD1-CG 4.36Å; I231-L278 HydrophobicContact CG2-CD2 4.29Å; I231-I287 HydrophobicContact CD1-CD1 3.46Å; I231-I287 VanDerWaalsContact CD1-CD1 3.46Å; I231-I287 HydrophobicContact CG1-CD1 3.54Å
232T96.7Very high95.4Very high2 Ų213.3 Ų13.31%0.0128%0.079CC..Hα-helixtrans-120.3-18.5-166720000114N228 E234 I254 R256 P258 L278N228-T232 WeakPolarHBondContact O-CB 3.28Å; N228-T232 PolarHBondContact O-N 2.93Å; N228-T232 PolarHBondContact O-OG1 2.86Å; T232-E234 VanDerWaalsContact C-N 3.31Å; T232-E234 PolarHBondContact OG1-N 3.26Å; T232-E234 VanDerWaalsContact OG1-N 3.16Å; T232-E234 PolarHBondContact OG1-O 3.49Å; T232-I254 HydrophobicContact CG2-CD1 4.14Å; T232-I254 HydrophobicContact CG2-CG2 4.11Å; T232-R256 PolarHBondContact O-NH2 3.31Å; T232-P258 HydrophobicContact CG2-CB 4.2Å; T232-P258 HydrophobicContact CG2-CG 4.48Å; T232-L278 HydrophobicContact CG2-CD2 4.19Å
233G95.8Very high95.3Very high7 Ų718.8 Ų18.87%0.07210%0.101CC..SBendtrans84.12.1-169.900000114.1H198 L229H198-G233 PolarHBondContact CE1-O 2.83Å; L229-G233 VanDerWaalsContact O-CA 3.28Å; L229-G233 WeakPolarHBondContact O-CA 3.38Å; L229-G233 PolarHBondContact O-N 3.3Å
234E94.5Very high94.9Very high23 Ų2323 Ų2311%0.10712%0.115CC..  trans-125.1138.9179.6-57.9179.1114.600110.4E206 N228 L229 T232 T236 K252 S255E206-E234 WeakPolarHBondContact OE2-CA 3.12Å; N228-E234 CarbonylContact C-O 3.58Å; N228-E234 WeakPolarHBondContact CB-O 3.35Å; L229-E234 VanDerWaalsContact CA-O 3.24Å; L229-E234 WeakPolarHBondContact CA-O 3.43Å; L229-E234 PolarHBondContact N-O 3.37Å; T232-E234 VanDerWaalsContact C-N 3.31Å; T232-E234 PolarHBondContact OG1-N 3.26Å; T232-E234 VanDerWaalsContact OG1-N 3.16Å; T232-E234 PolarHBondContact OG1-O 3.49Å; E234-T236 PolarHBondContact O-N 2.77Å; E234-K252 WeakPolarHBondContact OE1-CE 3.47Å; E234-K252 IonicContact OE1-NZ 3.37Å; E234-K252 PolarHBondContact OE1-NZ 3.03Å; E234-S255 PolarHBondContact OE1-OG 2.8Å; E234-S255 VanDerWaalsContact OE2-CB 3.24Å; E234-S255 WeakPolarHBondContact OE2-CB 3.44Å; E234-S255 PolarHBondContact OE2-N 3.46Å; E234-S255 PolarHBondContact OE2-OG 2.84Å
235S95.1Very high94.4Very high0 Ų026.5 Ų26.50%014%0.135CC..  trans-98.630.5-174.1-150.50000114.5L203 E206 C225L203-S235 VanDerWaalsContact CD1-OG 3.31Å; L203-S235 WeakPolarHBondContact CD1-OG 3.46Å; E206-S235 PolarHBondContact OE2-N 3.36Å; C225-S235 VanDerWaalsContact C-OG 3.3Å; C225-S235 VanDerWaalsContact CB-O 3.28Å; C225-S235 WeakPolarHBondContact CB-O 3.37Å; C225-S235 WeakPolarHBondContact CB-OG 3.46Å; C225-S235 WeakPolarHBondContact O-CA 3.44Å; C225-S235 PolarHBondContact O-OG 2.77Å; C225-S235 PolarHBondContact SG-O 2.75Å
236T94.6Very high93.7Very high7 Ų731.5 Ų31.54%0.04316%0.161CC..  trans-61.8143.1173173.90000111.5N228 E234 Y238 K252 I254N228-T236 WeakPolarHBondContact CB-O 3.37Å; N228-T236 PolarHBondContact ND2-O 2.69Å; E234-T236 PolarHBondContact O-N 2.77Å; T236-Y238 PolarHBondContact O-N 3.11Å; T236-Y238 WeakPolarHBondContact OG1-CD2 3.18Å; T236-Y238 PolarHBondContact OG1-N 2.78Å; T236-Y238 VanDerWaalsContact OG1-N 3.11Å; T236-K252 WeakPolarHBondContact CB-O 3.08Å; T236-K252 PolarHBondContact OG1-O 3.4Å; T236-I254 HydrophobicContact CG2-CD1 3.73Å
237P94.4Very high93Very high19 Ų1935.3 Ų35.312%0.12320%0.2CC..SBendtrans-75.6-12.3172.130.5-34.2000113.1E210 Q224E210-P237 HydrophobicContact CB-CB 4.33Å; E210-P237 HydrophobicContact CB-CG 3.91Å; E210-P237 HydrophobicContact CG-CG 3.89Å; Q224-P237 WeakPolarHBondContact CG-O 3.31Å
238Y95.2Very high92.3Very high41 Ų4137.9 Ų37.916%0.16123%0.229CC..  trans-93.8148.1-168.4-58-64.6000113.1E210 N228 T236 F240 L251 I254E210-Y238 WeakPolarHBondContact CG-OH 3.23Å; E210-Y238 PolarHBondContact OE1-OH 2.81Å; E210-Y238 VanDerWaalsContact OE1-OH 3.1Å; N228-Y238 PolarHBondContact ND2-O 3.22Å; T236-Y238 PolarHBondContact O-N 3.11Å; T236-Y238 WeakPolarHBondContact OG1-CD2 3.18Å; T236-Y238 PolarHBondContact OG1-N 2.78Å; T236-Y238 VanDerWaalsContact OG1-N 3.11Å; Y238-F240 VanDerWaalsContact CB-CE1 3.48Å; Y238-F240 HydrophobicContact CD1-CD1 4.46Å; Y238-F240 AromaticContact CD1-CE1 3.68Å; Y238-F240 HydrophobicContact CD1-CE1 3.68Å; Y238-F240 HydrophobicContact CD1-CZ 4.37Å; Y238-F240 HydrophobicContact CD2-CE1 4.28Å; Y238-F240 HydrophobicContact CD2-CZ 4.18Å; Y238-F240 HydrophobicContact CG-CD1 4.37Å; Y238-F240 AromaticContact CG-CE1 3.54Å; Y238-F240 HydrophobicContact CG-CE1 3.54Å; Y238-F240 AromaticContact CG-CZ 3.86Å; Y238-F240 HydrophobicContact CG-CZ 3.86Å; Y238-L251 HydrophobicContact CD2-CB 4.33Å; Y238-L251 HydrophobicContact CE1-CD1 4.01Å; Y238-L251 HydrophobicContact CE2-CB 3.97Å; Y238-L251 HydrophobicContact CE2-CD1 4.3Å; Y238-L251 HydrophobicContact CE2-CD2 4.05Å; Y238-L251 HydrophobicContact CE2-CG 4.34Å; Y238-L251 WeakPolarHBondContact OH-CD2 3.36Å; Y238-I254 WeakPolarHBondContact O-CD1 3.29Å
239L96.3Very high91.6Very high15 Ų1545 Ų458%0.07926%0.26CS..  trans-103.9-11.4-178.1-65.2173.1000113.6Q224 F262 T264 C272 V274 G275 L278Q224-L239 HydrophobicContact CG-CD2 4.05Å; Q224-L239 HydrophobicContact CG-CG 4.34Å; L239-F262 HydrophobicContact CD1-CD1 4.46Å; L239-F262 HydrophobicContact CD1-CE1 4.09Å; L239-F262 HydrophobicContact CD2-CD1 3.69Å; L239-F262 HydrophobicContact CD2-CE1 3.86Å; L239-T264 HydrophobicContact CD1-CG2 4.2Å; L239-C272 HydrophobicContact CD1-CB 4.41Å; L239-V274 HydrophobicContact CB-CG2 4.48Å; L239-V274 HydrophobicContact CD1-CG2 4.1Å; L239-G275 WeakPolarHBondContact O-CA 3.15Å; L239-G275 PolarHBondContact O-N 3.41Å; L239-L278 HydrophobicContact CB-CD1 4.2Å; L239-L278 HydrophobicContact CD2-CD1 3.5Å; L239-L278 HydrophobicContact CG-CD1 4.49Å
240F93.6Very high91.2Very high14 Ų1448.9 Ų48.96%0.06128%0.284CS..SBendtrans-75.9165.3178.562-106.1000111.9Y238 R244 L251 G253 I254Y238-F240 VanDerWaalsContact CB-CE1 3.48Å; Y238-F240 HydrophobicContact CD1-CD1 4.46Å; Y238-F240 AromaticContact CD1-CE1 3.68Å; Y238-F240 HydrophobicContact CD1-CE1 3.68Å; Y238-F240 HydrophobicContact CD1-CZ 4.37Å; Y238-F240 HydrophobicContact CD2-CE1 4.28Å; Y238-F240 HydrophobicContact CD2-CZ 4.18Å; Y238-F240 HydrophobicContact CG-CD1 4.37Å; Y238-F240 AromaticContact CG-CE1 3.54Å; Y238-F240 HydrophobicContact CG-CE1 3.54Å; Y238-F240 AromaticContact CG-CZ 3.86Å; Y238-F240 HydrophobicContact CG-CZ 3.86Å; F240-R244 VanDerWaalsContact CB-CZ 3.48Å; F240-R244 HydrophobicContact CD2-CG 3.8Å; F240-R244 HydrophobicContact CE1-CG 4.49Å; F240-R244 HydrophobicContact CE2-CB 4.04Å; F240-R244 HydrophobicContact CE2-CG 3.65Å; F240-R244 HydrophobicContact CG-CG 4.32Å; F240-R244 HydrophobicContact CZ-CB 4.08Å; F240-R244 HydrophobicContact CZ-CG 4.04Å; F240-L251 HydrophobicContact CE1-CB 4.47Å; F240-L251 HydrophobicContact CZ-CB 3.74Å; F240-G253 VanDerWaalsContact CE2-N 3.35Å; F240-G253 CarbonylContact O-C 3.42Å; F240-G253 WeakPolarHBondContact O-CA 3.48Å; F240-I254 PolarHBondContact O-N 3.25Å
241D92.3Very high90.9Very high41 Ų4149.7 Ų49.722%0.21929%0.288CS..BIsolated β-bridgetrans-84.8142.6179.4-61.4-22.6000112.3G275 W276 F277 R320D241-G275 VanDerWaalsContact OD1-C 3.3Å; D241-G275 WeakPolarHBondContact OD1-CA 3.49Å; D241-W276 VanDerWaalsContact CG-N 3.32Å; D241-W276 PolarHBondContact OD1-N 3.39Å; D241-W276 VanDerWaalsContact OD1-N 3.14Å; D241-W276 WeakPolarHBondContact OD2-CA 3.49Å; D241-W276 VanDerWaalsContact OD2-CB 3.23Å; D241-W276 WeakPolarHBondContact OD2-CB 3.27Å; D241-W276 PolarHBondContact OD2-N 3.32Å; D241-F277 HydrophobicContact CB-CD2 3.62Å; D241-F277 HydrophobicContact CB-CE2 3.72Å; D241-F277 HydrophobicContact CB-CG 4.5Å; D241-F277 VanDerWaalsContact OD1-CB 3.3Å; D241-F277 WeakPolarHBondContact OD1-CB 3.41Å; D241-F277 WeakPolarHBondContact OD1-CD2 3.26Å; D241-F277 WeakPolarHBondContact OD1-CG 3.49Å; D241-F277 PolarHBondContact OD1-N 3.17Å; D241-F277 PolarHBondContact OD2-N 3.4Å; D241-R320 IonicContact OD2-CZ 2.8Å; D241-R320 IonicContact OD2-NH2 3.81Å; D241-R320 PolarHBondContact OD2-NH2 2.85Å
242G90.2Very high90.6Very high27 Ų2753.8 Ų53.828%0.27831%0.306SS..SBendtrans66.7-141.1169.100000113.1G253 I254G242-G253 VanDerWaalsContact O-CA 3.31Å; G242-G253 WeakPolarHBondContact O-CA 3.18Å; G242-G253 PolarHBondContact O-N 3.5Å; G242-I254 PolarHBondContact N-O 3.4Å
243E90.8Very high90.5Very high132 Ų13253.7 Ų53.762%0.61731%0.305SS*.EExtended strand (participates in β ladder)trans-115.7143.7-178.6-67.8176-177.500110.3T250 L251 K252E243-T250 HydrophobicContact CB-CG2 3.97Å; E243-T250 HydrophobicContact CG-CG2 4.09Å; E243-L251 CarbonylContact C-O 3.59Å; E243-L251 VanDerWaalsContact CA-O 3.28Å; E243-L251 WeakPolarHBondContact CA-O 3.12Å; E243-K252 HydrophobicContact CG-CB 4.48Å; E243-K252 HydrophobicContact CG-CG 4.27Å
244R86.9Confident90.5Very high102 Ų10253.4 Ų53.439%0.38530%0.302SS..EExtended strand (participates in β ladder)trans-122.3132.7171.4-68.9-178178.1-174-2.4108.5F240 L251 E273F240-R244 VanDerWaalsContact CB-CZ 3.48Å; F240-R244 HydrophobicContact CD2-CG 3.8Å; F240-R244 HydrophobicContact CE1-CG 4.49Å; F240-R244 HydrophobicContact CE2-CB 4.04Å; F240-R244 HydrophobicContact CE2-CG 3.65Å; F240-R244 HydrophobicContact CG-CG 4.32Å; F240-R244 HydrophobicContact CZ-CB 4.08Å; F240-R244 HydrophobicContact CZ-CG 4.04Å; R244-L251 PolarHBondContact N-O 2.96Å; R244-L251 PolarHBondContact O-N 2.72Å; R244-E273 IonicContact CZ-OE2 3.22Å; R244-E273 IonicContact NH1-OE2 3.56Å; R244-E273 IonicContact NH2-OE2 3.44Å; R244-E273 PolarHBondContact NH2-OE2 3.27Å
245D84.5Confident90.4Very high111 Ų11154.6 Ų54.659%0.59431%0.313SS*.EExtended strand (participates in β ladder)trans-93.2117.5171.3-170.6-21.7000109G248 F249D245-G248 WeakPolarHBondContact OD1-CA 3.36Å; D245-G248 PolarHBondContact OD1-N 3.02Å; D245-F249 WeakPolarHBondContact CA-O 3.43Å
246L82.8Confident90.3Very high105 Ų10559.3 Ų59.355%0.5533%0.331SS..EExtended strand (participates in β ladder)trans-120.299.6175.2-67.7-177.6000109.4G248 F249 L251L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.86Å; L246-F249 PolarHBondContact N-O 3.25Å; L246-F249 PolarHBondContact O-N 3.41Å; L246-L251 HydrophobicContact CD1-CD1 3.52Å; L246-L251 HydrophobicContact CD1-CG 4.42Å; L246-L251 HydrophobicContact CG-CD1 4.26Å
247G80.7Confident90.3Very high80 Ų8059.7 Ų59.783%0.82533%0.332SS*.THydrogen-bonded Turntrans65.430.8174.400000114.1
248G83Confident90.4Very high63 Ų6359.2 Ų59.265%0.64933%0.329SS*.THydrogen-bonded Turntrans902.5-177.500000113.9D245 L246D245-G248 WeakPolarHBondContact OD1-CA 3.36Å; D245-G248 PolarHBondContact OD1-N 3.02Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.86Å
249F83.9Confident90.5Very high151 Ų15161.4 Ų61.466%0.66234%0.339SS*.EExtended strand (participates in β ladder)trans-102.1122.4171-62.8-83.4000110D245 L246 L251D245-F249 WeakPolarHBondContact CA-O 3.43Å; L246-F249 PolarHBondContact N-O 3.25Å; L246-F249 PolarHBondContact O-N 3.41Å; F249-L251 PolarHBondContact O-N 2.88Å
250T88.2Confident90.5Very high80 Ų8061 Ų6149%0.49134%0.337SS..EExtended strand (participates in β ladder)trans-82.9108.4173.1-51.10000109.5E243E243-T250 HydrophobicContact CB-CG2 3.97Å; E243-T250 HydrophobicContact CG-CG2 4.09Å
251L90.7Very high90.7Very high22 Ų2260.3 Ų60.312%0.11534%0.335CS..EExtended strand (participates in β ladder)trans-88.4123.3171-56.8-170.3000109.4Y238 F240 E243 R244 L246 F249Y238-L251 HydrophobicContact CD2-CB 4.33Å; Y238-L251 HydrophobicContact CE1-CD1 4.01Å; Y238-L251 HydrophobicContact CE2-CB 3.97Å; Y238-L251 HydrophobicContact CE2-CD1 4.3Å; Y238-L251 HydrophobicContact CE2-CD2 4.05Å; Y238-L251 HydrophobicContact CE2-CG 4.34Å; Y238-L251 WeakPolarHBondContact OH-CD2 3.36Å; F240-L251 HydrophobicContact CE1-CB 4.47Å; F240-L251 HydrophobicContact CZ-CB 3.74Å; E243-L251 CarbonylContact C-O 3.59Å; E243-L251 VanDerWaalsContact CA-O 3.28Å; E243-L251 WeakPolarHBondContact CA-O 3.12Å; R244-L251 PolarHBondContact N-O 2.96Å; R244-L251 PolarHBondContact O-N 2.72Å; L246-L251 HydrophobicContact CD1-CD1 3.52Å; L246-L251 HydrophobicContact CD1-CG 4.42Å; L246-L251 HydrophobicContact CG-CD1 4.26Å; F249-L251 PolarHBondContact O-N 2.88Å
252K92.6Very high91Very high88 Ų8858.5 Ų58.538%0.38333%0.325SS..EExtended strand (participates in β ladder)trans-97110.5179.4-169.5-175.7173.9-155.80110.4E234 T236 E243E234-K252 WeakPolarHBondContact OE1-CE 3.47Å; E234-K252 IonicContact OE1-NZ 3.37Å; E234-K252 PolarHBondContact OE1-NZ 3.03Å; T236-K252 WeakPolarHBondContact CB-O 3.08Å; T236-K252 PolarHBondContact OG1-O 3.4Å; E243-K252 HydrophobicContact CG-CB 4.48Å; E243-K252 HydrophobicContact CG-CG 4.27Å
253G94.6Very high91.4Very high0 Ų057.2 Ų57.20%031%0.311CS..  trans-86-151.7170.700000112.6F240 G242 S255F240-G253 VanDerWaalsContact CE2-N 3.35Å; F240-G253 CarbonylContact O-C 3.42Å; F240-G253 WeakPolarHBondContact O-CA 3.48Å; G242-G253 VanDerWaalsContact O-CA 3.31Å; G242-G253 WeakPolarHBondContact O-CA 3.18Å; G242-G253 PolarHBondContact O-N 3.5Å; G253-S255 PolarHBondContact O-N 3.35Å
254I95.8Very high91.7Very high0 Ų051.3 Ų51.30%028%0.284CS..BIsolated β-bridgetrans-72.7119.6-178.4-54.5-49.6000109.6T232 T236 Y238 F240 G242 R256 F277 L278T232-I254 HydrophobicContact CG2-CD1 4.14Å; T232-I254 HydrophobicContact CG2-CG2 4.11Å; T236-I254 HydrophobicContact CG2-CD1 3.73Å; Y238-I254 WeakPolarHBondContact O-CD1 3.29Å; F240-I254 PolarHBondContact O-N 3.25Å; G242-I254 PolarHBondContact N-O 3.4Å; I254-R256 VanDerWaalsContact CG2-O 3.27Å; I254-R256 WeakPolarHBondContact CG2-O 3.39Å; I254-F277 HydrophobicContact CB-CB 4.48Å; I254-F277 HydrophobicContact CB-CD2 4.26Å; I254-F277 HydrophobicContact CG2-CB 3.87Å; I254-F277 HydrophobicContact CG2-CD2 4.07Å; I254-F277 HydrophobicContact CG2-CG 4.37Å; I254-F277 WeakPolarHBondContact O-CD2 3.32Å; I254-F277 VanDerWaalsContact O-CE2 3.29Å; I254-F277 WeakPolarHBondContact O-CE2 3.07Å; I254-L278 HydrophobicContact CD1-CD1 4.32Å; I254-L278 HydrophobicContact CG1-CD1 3.81Å; I254-L278 HydrophobicContact CG1-CD2 4.21Å; I254-L278 HydrophobicContact CG1-CG 3.9Å; I254-L278 HydrophobicContact CG2-CD2 4.48Å
255S93.3Very high92.1Very high48 Ų4848 Ų4834%0.33627%0.273SS..  trans-80.4-25-173.669.40000114.2E234 G253E234-S255 PolarHBondContact OE1-OG 2.8Å; E234-S255 VanDerWaalsContact OE2-CB 3.24Å; E234-S255 WeakPolarHBondContact OE2-CB 3.44Å; E234-S255 PolarHBondContact OE2-N 3.46Å; E234-S255 PolarHBondContact OE2-OG 2.84Å; G253-S255 PolarHBondContact O-N 3.35Å
256R92.2Very high92.6Very high99 Ų9944.6 Ų44.637%0.37426%0.256SS..SBendtrans-151.3157.1-172.763.9-173.6176-170.1-0.7112.3S99 T232 I254 P258S99-R256 PolarHBondContact OG-NH2 3.28Å; T232-R256 PolarHBondContact O-NH2 3.31Å; I254-R256 VanDerWaalsContact CG2-O 3.27Å; I254-R256 WeakPolarHBondContact CG2-O 3.39Å; R256-P258 WeakPolarHBondContact O-CD 3.01Å
257Q93.8Very high93.2Very high15 Ų1540.1 Ų40.17%0.0723%0.232CC..  trans-65.1119.5175.2-167.2177.83.800110.5W276 F277 N280 P281 Y282 S306Q257-W276 HydrophobicContact CG-CZ3 4.3Å; Q257-F277 HydrophobicContact CB-CD1 3.83Å; Q257-F277 HydrophobicContact CB-CE1 4.4Å; Q257-N280 WeakPolarHBondContact CG-O 3.25Å; Q257-N280 PolarHBondContact NE2-O 3.16Å; Q257-P281 PolarHBondContact NE2-O 3.24Å; Q257-Y282 HydrophobicContact CB-CD1 4.14Å; Q257-Y282 HydrophobicContact CB-CE1 3.75Å; Q257-Y282 VanDerWaalsContact CD-CD1 3.4Å; Q257-Y282 VanDerWaalsContact CD-CE1 3.48Å; Q257-Y282 HydrophobicContact CG-CD1 3.63Å; Q257-Y282 HydrophobicContact CG-CE1 3.73Å; Q257-Y282 VanDerWaalsContact OE1-CE1 3.27Å; Q257-S306 PolarHBondContact NE2-O 3.22Å
258P96.6Very high93.8Very high9 Ų937.6 Ų37.66%0.05820%0.203CC..  trans-79.3171.9177.433.8-37.4000112.5I231 T232 R256 T260 F277 L278 P281 Y282I231-P258 HydrophobicContact CG2-CB 3.85Å; I231-P258 HydrophobicContact CG2-CG 4.03Å; I231-P258 WeakPolarHBondContact O-CB 3.33Å; T232-P258 HydrophobicContact CG2-CB 4.2Å; T232-P258 HydrophobicContact CG2-CG 4.48Å; R256-P258 WeakPolarHBondContact O-CD 3.01Å; P258-T260 WeakPolarHBondContact CB-O 3.48Å; P258-T260 WeakPolarHBondContact CG-O 3.45Å; P258-F277 WeakPolarHBondContact CD-O 3.29Å; P258-L278 HydrophobicContact CG-CD2 4.05Å; P258-P281 CarbonylContact O-C 3.53Å; P258-P281 WeakPolarHBondContact O-CA 3.09Å; P258-Y282 PolarHBondContact O-N 2.99Å
259K96.9Very high94.3Very high88 Ų8837.3 Ų37.338%0.38319%0.186SC..SBendtrans-70.6-37.5174-71.1-175.5-179.51760112.8Y64 Y283Y64-K259 HydrophobicContact CE1-CB 4.22Å; Y64-K259 HydrophobicContact CE1-CD 4.47Å; Y64-K259 HydrophobicContact CE2-CD 4.18Å; Y64-K259 WeakPolarHBondContact OH-CD 3.27Å; K259-Y283 HydrophobicContact CB-CD2 4.25Å; K259-Y283 HydrophobicContact CB-CE2 4.49Å; K259-Y283 HydrophobicContact CG-CE2 4.48Å; K259-Y283 PolarHBondContact O-N 3.09Å; K259-Y283 VanDerWaalsContact O-N 3.11Å
260T98.1Very high94.6Very high6 Ų640.6 Ų40.64%0.03719%0.194CC..SBendtrans-121.5144.8176.853.60000109.1A60 Y64 I231 P258 V285A60-T260 HydrophobicContact CB-CG2 4Å; Y64-T260 HydrophobicContact CD1-CG2 3.4Å; Y64-T260 HydrophobicContact CE1-CG2 3.88Å; Y64-T260 HydrophobicContact CG-CG2 4.41Å; I231-T260 WeakPolarHBondContact CG2-O 3.37Å; P258-T260 WeakPolarHBondContact CB-O 3.48Å; P258-T260 WeakPolarHBondContact CG-O 3.45Å; T260-V285 CarbonylContact C-O 3.59Å; T260-V285 WeakPolarHBondContact CA-O 3.42Å; T260-V285 HydrophobicContact CG2-CB 4.17Å; T260-V285 HydrophobicContact CG2-CG1 4.13Å
261G97.9Very high94.8Very high0 Ų045.4 Ų45.40%020%0.204CC..EExtended strand (participates in β ladder)trans-91.5-179.9-176.100000112.6L278 V285 W286 I287G261-L278 CarbonylContact C-O 3.54Å; G261-L278 WeakPolarHBondContact CA-O 3.21Å; G261-V285 PolarHBondContact N-O 3.11Å; G261-W286 WeakPolarHBondContact O-CA 3.21Å; G261-I287 PolarHBondContact O-N 2.93Å
262F98.6Very high94.9Very high3 Ų346.4 Ų46.41%0.01321%0.213CC..EExtended strand (participates in β ladder)trans-139134.1171.6-176.3-105.7000108.7I227 I231 L239 T264 V274 L278 I287 L294I227-F262 HydrophobicContact CG2-CD2 4.1Å; I227-F262 HydrophobicContact CG2-CE2 3.95Å; I231-F262 HydrophobicContact CD1-CB 4.02Å; I231-F262 HydrophobicContact CD1-CD2 4.07Å; I231-F262 HydrophobicContact CD1-CG 4.36Å; L239-F262 HydrophobicContact CD1-CD1 4.46Å; L239-F262 HydrophobicContact CD1-CE1 4.09Å; L239-F262 HydrophobicContact CD2-CD1 3.69Å; L239-F262 HydrophobicContact CD2-CE1 3.86Å; F262-T264 HydrophobicContact CE1-CG2 3.95Å; F262-V274 WeakPolarHBondContact O-CG1 3.36Å; F262-L278 HydrophobicContact CB-CB 4.22Å; F262-L278 HydrophobicContact CB-CD1 4.22Å; F262-L278 HydrophobicContact CB-CD2 4.2Å; F262-L278 HydrophobicContact CB-CG 4.45Å; F262-L278 PolarHBondContact N-O 2.8Å; F262-I287 WeakPolarHBondContact CA-O 3.31Å; F262-I287 HydrophobicContact CD2-CB 4.03Å; F262-I287 HydrophobicContact CD2-CG2 3.94Å; F262-I287 WeakPolarHBondContact CD2-O 3.28Å; F262-I287 HydrophobicContact CE2-CG2 4.12Å; F262-L294 HydrophobicContact CE2-CD2 4.07Å
263L98Very high94.8Very high0 Ų047.7 Ų47.70%022%0.22CC..EExtended strand (participates in β ladder)trans-130.8149.7168.6-59.2173.8000107.2K279 W286 I287 L288 G289 C446 L447 K450L263-K279 HydrophobicContact CD2-CB 4.41Å; L263-K279 HydrophobicContact CD2-CG 3.74Å; L263-W286 HydrophobicContact CD1-CB 4.38Å; L263-W286 HydrophobicContact CD1-CG 4.16Å; L263-W286 HydrophobicContact CG-CB 4.38Å; L263-W286 HydrophobicContact CG-CG 4.27Å; L263-I287 PolarHBondContact N-O 3.14Å; L263-L288 HydrophobicContact CB-CD2 3.79Å; L263-L288 HydrophobicContact CD1-CD2 4.04Å; L263-L288 HydrophobicContact CG-CD2 4.32Å; L263-L288 CarbonylContact O-C 3.46Å; L263-L288 VanDerWaalsContact O-CA 3.29Å; L263-L288 WeakPolarHBondContact O-CA 3.39Å; L263-G289 PolarHBondContact O-N 2.58Å; L263-C446 VanDerWaalsContact CB-SG 3.57Å; L263-L447 HydrophobicContact CD1-CD2 3.6Å; L263-K450 HydrophobicContact CD2-CB 4.31Å
264T97.1Very high94.9Very high7 Ų747.8 Ų47.84%0.04322%0.221CC..EExtended strand (participates in β ladder)trans-138.3141.3-178.9177.90000111.6L239 F262 V266 E267 V274 G289L239-T264 HydrophobicContact CD1-CG2 4.2Å; F262-T264 HydrophobicContact CE1-CG2 3.95Å; T264-V266 HydrophobicContact CG2-CB 4.21Å; T264-V266 PolarHBondContact O-N 2.93Å; T264-V266 WeakPolarHBondContact OG1-CB 3.49Å; T264-V266 WeakPolarHBondContact OG1-CG2 3.25Å; T264-V266 PolarHBondContact OG1-N 3.07Å; T264-V266 VanDerWaalsContact OG1-N 3.16Å; T264-E267 HydrophobicContact CG2-CB 4.06Å; T264-E267 WeakPolarHBondContact O-CB 3.2Å; T264-E267 PolarHBondContact O-N 2.84Å; T264-E267 VanDerWaalsContact O-N 3.15Å; T264-V274 HydrophobicContact CG2-CG2 3.82Å; T264-G289 CarbonylContact C-O 3.58Å; T264-G289 WeakPolarHBondContact CA-O 3.35Å; T264-G289 PolarHBondContact OG1-O 3.45Å
265F95.9Very high94.9Very high33 Ų3348.1 Ų48.115%0.14522%0.224CC..Hα-helixtrans-60.6-25.9171.6-176-110.1000111.8E267 A268 M269 G289 P442 Q445 L466F265-E267 PolarHBondContact O-N 3.01Å; F265-A268 HydrophobicContact CD2-CB 4.34Å; F265-A268 WeakPolarHBondContact O-CB 3.07Å; F265-A268 PolarHBondContact O-N 3.29Å; F265-M269 HydrophobicContact CD1-CE 3.86Å; F265-M269 HydrophobicContact CD1-CG 4.18Å; F265-M269 HydrophobicContact CD1-SD 4.02Å; F265-M269 HydrophobicContact CE1-CE 4.04Å; F265-M269 HydrophobicContact CE1-CG 3.81Å; F265-M269 HydrophobicContact CE1-SD 3.57Å; F265-M269 VanDerWaalsContact CE1-SD 3.57Å; F265-M269 HydrophobicContact CZ-CG 4.19Å; F265-M269 HydrophobicContact CZ-SD 4.4Å; F265-M269 PolarHBondContact O-N 3.24Å; F265-M269 VanDerWaalsContact O-N 3.12Å; F265-G289 WeakPolarHBondContact CB-O 3.34Å; F265-G289 PolarHBondContact N-O 2.91Å; F265-P442 HydrophobicContact CD2-CB 3.83Å; F265-P442 HydrophobicContact CE2-CB 3.98Å; F265-P442 HydrophobicContact CG-CB 4.32Å; F265-Q445 HydrophobicContact CD2-CB 4.21Å; F265-Q445 HydrophobicContact CE2-CB 3.87Å; F265-Q445 HydrophobicContact CE2-CG 4.37Å; F265-L466 HydrophobicContact CB-CD2 3.83Å; F265-L466 HydrophobicContact CG-CD2 4.48Å
266V94.4Very high94.8Very high40 Ų4048.3 Ų48.324%0.24222%0.217CC..Hα-helixtrans-63.7-27.2176.9-178.10000112.1T264 M269 R270 Y271T264-V266 HydrophobicContact CG2-CB 4.21Å; T264-V266 PolarHBondContact O-N 2.93Å; T264-V266 WeakPolarHBondContact OG1-CB 3.49Å; T264-V266 WeakPolarHBondContact OG1-CG2 3.25Å; T264-V266 PolarHBondContact OG1-N 3.07Å; T264-V266 VanDerWaalsContact OG1-N 3.16Å; V266-M269 HydrophobicContact CB-CE 4.41Å; V266-M269 HydrophobicContact CG2-CE 4.1Å; V266-M269 PolarHBondContact O-N 2.98Å; V266-R270 PolarHBondContact O-N 2.86Å; V266-Y271 HydrophobicContact CG1-CD2 4.13Å; V266-Y271 HydrophobicContact CG1-CG 4.26Å; V266-Y271 PolarHBondContact O-N 3.16Å; V266-Y271 VanDerWaalsContact O-N 3.12Å
267E95.6Very high94.9Very high11 Ų1144.6 Ų44.65%0.05120%0.204CC..Hα-helixtrans-71.4-40.8171.3177.2179.5-146.500111.6T264 F265 M269 R270 C272 V274 K279 T449T264-E267 HydrophobicContact CG2-CB 4.06Å; T264-E267 WeakPolarHBondContact O-CB 3.2Å; T264-E267 PolarHBondContact O-N 2.84Å; T264-E267 VanDerWaalsContact O-N 3.15Å; F265-E267 PolarHBondContact O-N 3.01Å; E267-M269 PolarHBondContact O-N 3.31Å; E267-R270 WeakPolarHBondContact O-CA 3.32Å; E267-R270 PolarHBondContact O-N 2.57Å; E267-C272 WeakPolarHBondContact CA-O 3.44Å; E267-C272 WeakPolarHBondContact CG-O 3.11Å; E267-V274 HydrophobicContact CB-CG2 4.14Å; E267-V274 HydrophobicContact CG-CG2 4.43Å; E267-V274 PolarHBondContact OE1-N 3.22Å; E267-V274 WeakPolarHBondContact OE2-CB 3.38Å; E267-V274 WeakPolarHBondContact OE2-CG2 3.35Å; E267-K279 WeakPolarHBondContact OE1-CE 3.28Å; E267-K279 IonicContact OE1-NZ 3.76Å; E267-K279 PolarHBondContact OE1-NZ 2.99Å; E267-K279 WeakPolarHBondContact OE2-CE 3.22Å; E267-K279 IonicContact OE2-NZ 3.88Å; E267-T449 HydrophobicContact CB-CG2 4.28Å; E267-T449 HydrophobicContact CG-CG2 3.89Å; E267-T449 WeakPolarHBondContact OE2-CB 3.49Å; E267-T449 PolarHBondContact OE2-OG1 3.48Å
268A93.2Very high95.1Very high26 Ų2643.9 Ų43.922%0.21520%0.2CC..Hα-helixtrans-61.1-32.6175.600000111.3F265 R270 Q445 T449F265-A268 HydrophobicContact CD2-CB 4.34Å; F265-A268 WeakPolarHBondContact O-CB 3.07Å; F265-A268 PolarHBondContact O-N 3.29Å; A268-R270 VanDerWaalsContact C-N 3.25Å; A268-R270 PolarHBondContact O-N 2.72Å; A268-Q445 HydrophobicContact CB-CB 4.09Å; A268-T449 HydrophobicContact CB-CG2 3.92Å
269M92.9Very high95.1Very high58 Ų5845 Ų4529%0.28621%0.205SC..THydrogen-bonded Turntrans-79.22.5172.6-62.6-167-67.300114.7F265 V266 E267 Y271 E291F265-M269 HydrophobicContact CD1-CE 3.86Å; F265-M269 HydrophobicContact CD1-CG 4.18Å; F265-M269 HydrophobicContact CD1-SD 4.02Å; F265-M269 HydrophobicContact CE1-CE 4.04Å; F265-M269 HydrophobicContact CE1-CG 3.81Å; F265-M269 HydrophobicContact CE1-SD 3.57Å; F265-M269 VanDerWaalsContact CE1-SD 3.57Å; F265-M269 HydrophobicContact CZ-CG 4.19Å; F265-M269 HydrophobicContact CZ-SD 4.4Å; F265-M269 PolarHBondContact O-N 3.24Å; F265-M269 VanDerWaalsContact O-N 3.12Å; V266-M269 HydrophobicContact CB-CE 4.41Å; V266-M269 HydrophobicContact CG2-CE 4.1Å; V266-M269 PolarHBondContact O-N 2.98Å; E267-M269 PolarHBondContact O-N 3.31Å; M269-Y271 VanDerWaalsContact C-N 3.31Å; M269-Y271 HydrophobicContact CB-CD2 3.52Å; M269-Y271 HydrophobicContact CB-CE2 3.65Å; M269-Y271 HydrophobicContact CE-CD2 4.03Å; M269-Y271 HydrophobicContact CE-CE2 4.02Å; M269-Y271 PolarHBondContact O-N 2.76Å; M269-Y271 HydrophobicContact SD-CE2 4.11Å; M269-E291 HydrophobicContact CE-CG 4.09Å
270R91.3Very high94.9Very high219 Ų21941.6 Ų41.683%0.82619%0.19SC*.THydrogen-bonded Turntrans65.921.3177.9-50.2-61.5-174.4172.60.5115.8V266 E267 A268V266-R270 PolarHBondContact O-N 2.86Å; E267-R270 WeakPolarHBondContact O-CA 3.32Å; E267-R270 PolarHBondContact O-N 2.57Å; A268-R270 VanDerWaalsContact C-N 3.25Å; A268-R270 PolarHBondContact O-N 2.72Å
271Y92.3Very high94.8Very high182 Ų18241.3 Ų41.371%0.71419%0.189SC*.SBendtrans-85.3-21.2175.6-69-69.2000113.5V266 M269V266-Y271 HydrophobicContact CG1-CD2 4.13Å; V266-Y271 HydrophobicContact CG1-CG 4.26Å; V266-Y271 PolarHBondContact O-N 3.16Å; V266-Y271 VanDerWaalsContact O-N 3.12Å; M269-Y271 VanDerWaalsContact C-N 3.31Å; M269-Y271 HydrophobicContact CB-CD2 3.52Å; M269-Y271 HydrophobicContact CB-CE2 3.65Å; M269-Y271 HydrophobicContact CE-CD2 4.03Å; M269-Y271 HydrophobicContact CE-CE2 4.02Å; M269-Y271 PolarHBondContact O-N 2.76Å; M269-Y271 HydrophobicContact SD-CE2 4.11Å
272C92.1Very high94.7Very high43 Ų4346.1 Ų46.129%0.29121%0.208SC..  trans-147.3168.4175.667.10000110.8L239 E267L239-C272 HydrophobicContact CD1-CB 4.41Å; E267-C272 WeakPolarHBondContact CA-O 3.44Å; E267-C272 WeakPolarHBondContact CG-O 3.11Å
273E91.3Very high94.6Very high115 Ų11548.4 Ų48.454%0.53722%0.217SC..  trans-120.9124.9171.5-172.7-167.1-176.200108.6R244R244-E273 IonicContact CZ-OE2 3.22Å; R244-E273 IonicContact NH1-OE2 3.56Å; R244-E273 IonicContact NH2-OE2 3.44Å; R244-E273 PolarHBondContact NH2-OE2 3.27Å
274V96.7Very high94.6Very high2 Ų248.4 Ų48.41%0.01222%0.217CC..  trans-87.8123.6176.7-179.80000108.7L239 F262 T264 E267 L278 K279L239-V274 HydrophobicContact CB-CG2 4.48Å; L239-V274 HydrophobicContact CD1-CG2 4.1Å; F262-V274 WeakPolarHBondContact O-CG1 3.36Å; T264-V274 HydrophobicContact CG2-CG2 3.82Å; E267-V274 HydrophobicContact CB-CG2 4.14Å; E267-V274 HydrophobicContact CG-CG2 4.43Å; E267-V274 PolarHBondContact OE1-N 3.22Å; E267-V274 WeakPolarHBondContact OE2-CB 3.38Å; E267-V274 WeakPolarHBondContact OE2-CG2 3.35Å; V274-L278 HydrophobicContact CG1-CB 3.58Å; V274-L278 HydrophobicContact CG1-CD1 4.16Å; V274-L278 HydrophobicContact CG1-CG 4.49Å; V274-K279 HydrophobicContact CB-CG 4.36Å; V274-K279 HydrophobicContact CG1-CG 3.92Å; V274-K279 WeakPolarHBondContact O-CE 3.43Å; V274-K279 PolarHBondContact O-NZ 2.9Å
275G93.9Very high94.7Very high7 Ų748.1 Ų48.17%0.07222%0.215CC..  trans-65161.4179.700000113.2L239 D241 F277 L278 K279L239-G275 WeakPolarHBondContact O-CA 3.15Å; L239-G275 PolarHBondContact O-N 3.41Å; D241-G275 VanDerWaalsContact OD1-C 3.3Å; D241-G275 WeakPolarHBondContact OD1-CA 3.49Å; G275-F277 PolarHBondContact O-N 3.14Å; G275-L278 PolarHBondContact O-N 3.24Å; G275-K279 WeakPolarHBondContact O-CG 3.27Å; G275-K279 PolarHBondContact O-N 3.05Å; G275-K279 VanDerWaalsContact O-N 3.11Å
276W92.3Very high94.8Very high52 Ų5246.5 Ų46.520%0.19721%0.208CC..Hα-helixtrans-61.9-31.8-178.1178.3115000111.7D241 Q257 L278 K279 N280 S306 N308 R320D241-W276 VanDerWaalsContact CG-N 3.32Å; D241-W276 PolarHBondContact OD1-N 3.39Å; D241-W276 VanDerWaalsContact OD1-N 3.14Å; D241-W276 WeakPolarHBondContact OD2-CA 3.49Å; D241-W276 VanDerWaalsContact OD2-CB 3.23Å; D241-W276 WeakPolarHBondContact OD2-CB 3.27Å; D241-W276 PolarHBondContact OD2-N 3.32Å; Q257-W276 HydrophobicContact CG-CZ3 4.3Å; W276-L278 PolarHBondContact O-N 3.23Å; W276-K279 CarbonylContact O-C 2.99Å; W276-K279 PolarHBondContact O-N 3.42Å; W276-N280 VanDerWaalsContact CD1-ND2 3.25Å; W276-N280 HydrophobicContact CD2-CB 3.81Å; W276-N280 VanDerWaalsContact CD2-ND2 3.31Å; W276-N280 HydrophobicContact CE3-CB 3.73Å; W276-N280 VanDerWaalsContact CG-ND2 3.31Å; W276-N280 HydrophobicContact CH2-CB 3.92Å; W276-N280 HydrophobicContact CZ2-CB 3.94Å; W276-N280 HydrophobicContact CZ3-CB 3.79Å; W276-N280 PolarHBondContact NE1-ND2 3.21Å; W276-N280 WeakPolarHBondContact O-CB 3.29Å; W276-N280 PolarHBondContact O-N 3.09Å; W276-N280 PolarHBondContact O-ND2 2.79Å; W276-N280 VanDerWaalsContact O-ND2 3.16Å; W276-S306 WeakPolarHBondContact CH2-O 3.38Å; W276-N308 HydrophobicContact CH2-CB 3.98Å; W276-N308 HydrophobicContact CZ3-CB 3.97Å; W276-R320 HydrophobicContact CD2-CG 4.38Å; W276-R320 VanDerWaalsContact CE2-CD 3.41Å; W276-R320 VanDerWaalsContact CE3-NH2 3.28Å; W276-R320 HydrophobicContact CG-CG 4.5Å; W276-R320 VanDerWaalsContact CG-NE 3.34Å; W276-R320 HydrophobicContact CZ2-CG 4.26Å
277F95Very high95Very high20 Ų2044.6 Ų44.69%0.08820%0.196CC..Hα-helixtrans-60-45.3179.1-70-45.5000111.8D241 I254 Q257 P258 G275 N280 N308 R320D241-F277 HydrophobicContact CB-CD2 3.62Å; D241-F277 HydrophobicContact CB-CE2 3.72Å; D241-F277 HydrophobicContact CB-CG 4.5Å; D241-F277 VanDerWaalsContact OD1-CB 3.3Å; D241-F277 WeakPolarHBondContact OD1-CB 3.41Å; D241-F277 WeakPolarHBondContact OD1-CD2 3.26Å; D241-F277 WeakPolarHBondContact OD1-CG 3.49Å; D241-F277 PolarHBondContact OD1-N 3.17Å; D241-F277 PolarHBondContact OD2-N 3.4Å; I254-F277 HydrophobicContact CB-CB 4.48Å; I254-F277 HydrophobicContact CB-CD2 4.26Å; I254-F277 HydrophobicContact CG2-CB 3.87Å; I254-F277 HydrophobicContact CG2-CD2 4.07Å; I254-F277 HydrophobicContact CG2-CG 4.37Å; I254-F277 WeakPolarHBondContact O-CD2 3.32Å; I254-F277 VanDerWaalsContact O-CE2 3.29Å; I254-F277 WeakPolarHBondContact O-CE2 3.07Å; Q257-F277 HydrophobicContact CB-CD1 3.83Å; Q257-F277 HydrophobicContact CB-CE1 4.4Å; P258-F277 WeakPolarHBondContact CD-O 3.29Å; G275-F277 PolarHBondContact O-N 3.14Å; F277-N280 CarbonylContact O-C 3.53Å; F277-N280 VanDerWaalsContact O-C 3.28Å; F277-N280 PolarHBondContact O-N 2.7Å; F277-N280 VanDerWaalsContact O-O 3.11Å; F277-N308 HydrophobicContact CE1-CB 4.47Å; F277-R320 VanDerWaalsContact CD1-NH2 3.32Å; F277-R320 VanDerWaalsContact CE1-NH2 3.29Å
278L97.4Very high95.1Very high0 Ų044.1 Ų44.10%019%0.194CC..Hα-helixtrans-74.4-32.2178.5-64.5178.8000112I231 T232 L239 I254 P258 G261 F262 V274 G275 W276I231-L278 HydrophobicContact CG2-CD2 4.29Å; T232-L278 HydrophobicContact CG2-CD2 4.19Å; L239-L278 HydrophobicContact CB-CD1 4.2Å; L239-L278 HydrophobicContact CD2-CD1 3.5Å; L239-L278 HydrophobicContact CG-CD1 4.49Å; I254-L278 HydrophobicContact CD1-CD1 4.32Å; I254-L278 HydrophobicContact CG1-CD1 3.81Å; I254-L278 HydrophobicContact CG1-CD2 4.21Å; I254-L278 HydrophobicContact CG1-CG 3.9Å; I254-L278 HydrophobicContact CG2-CD2 4.48Å; P258-L278 HydrophobicContact CG-CD2 4.05Å; G261-L278 CarbonylContact C-O 3.54Å; G261-L278 WeakPolarHBondContact CA-O 3.21Å; F262-L278 HydrophobicContact CB-CB 4.22Å; F262-L278 HydrophobicContact CB-CD1 4.22Å; F262-L278 HydrophobicContact CB-CD2 4.2Å; F262-L278 HydrophobicContact CB-CG 4.45Å; F262-L278 PolarHBondContact N-O 2.8Å; V274-L278 HydrophobicContact CG1-CB 3.58Å; V274-L278 HydrophobicContact CG1-CD1 4.16Å; V274-L278 HydrophobicContact CG1-CG 4.49Å; G275-L278 PolarHBondContact O-N 3.24Å; W276-L278 PolarHBondContact O-N 3.23Å
279K95.4Very high95.3Very high33 Ų3342.9 Ų42.914%0.14318%0.184CC..Hα-helixtrans-71.5-28.9173.8-68.4-173.3176.1175.40112.8L263 E267 V274 G275 W276 P281 W286 T449 K450L263-K279 HydrophobicContact CD2-CB 4.41Å; L263-K279 HydrophobicContact CD2-CG 3.74Å; E267-K279 WeakPolarHBondContact OE1-CE 3.28Å; E267-K279 IonicContact OE1-NZ 3.76Å; E267-K279 PolarHBondContact OE1-NZ 2.99Å; E267-K279 WeakPolarHBondContact OE2-CE 3.22Å; E267-K279 IonicContact OE2-NZ 3.88Å; V274-K279 HydrophobicContact CB-CG 4.36Å; V274-K279 HydrophobicContact CG1-CG 3.92Å; V274-K279 WeakPolarHBondContact O-CE 3.43Å; V274-K279 PolarHBondContact O-NZ 2.9Å; G275-K279 WeakPolarHBondContact O-CG 3.27Å; G275-K279 PolarHBondContact O-N 3.05Å; G275-K279 VanDerWaalsContact O-N 3.11Å; W276-K279 CarbonylContact O-C 2.99Å; W276-K279 PolarHBondContact O-N 3.42Å; K279-P281 VanDerWaalsContact C-CD 3.45Å; K279-P281 WeakPolarHBondContact O-CD 3.44Å; K279-W286 PolarHBondContact O-NE1 3.05Å; K279-T449 PolarHBondContact NZ-O 2.86Å; K279-K450 HydrophobicContact CB-CD 4.39Å; K279-K450 HydrophobicContact CB-CG 4.48Å; K279-K450 WeakPolarHBondContact O-CD 3.43Å; K279-K450 WeakPolarHBondContact O-CE 3.48Å; K279-K450 PolarHBondContact O-NZ 3.41Å
280N93.9Very high95.4Very high16 Ų1641.1 Ų41.19%0.08618%0.177CC..SBendtrans-123.878.6-178.4-62.6-79.5000108.9Q257 W276 F277 K450Q257-N280 WeakPolarHBondContact CG-O 3.25Å; Q257-N280 PolarHBondContact NE2-O 3.16Å; W276-N280 VanDerWaalsContact CD1-ND2 3.25Å; W276-N280 HydrophobicContact CD2-CB 3.81Å; W276-N280 VanDerWaalsContact CD2-ND2 3.31Å; W276-N280 HydrophobicContact CE3-CB 3.73Å; W276-N280 VanDerWaalsContact CG-ND2 3.31Å; W276-N280 HydrophobicContact CH2-CB 3.92Å; W276-N280 HydrophobicContact CZ2-CB 3.94Å; W276-N280 HydrophobicContact CZ3-CB 3.79Å; W276-N280 PolarHBondContact NE1-ND2 3.21Å; W276-N280 WeakPolarHBondContact O-CB 3.29Å; W276-N280 PolarHBondContact O-N 3.09Å; W276-N280 PolarHBondContact O-ND2 2.79Å; W276-N280 VanDerWaalsContact O-ND2 3.16Å; F277-N280 CarbonylContact O-C 3.53Å; F277-N280 VanDerWaalsContact O-C 3.28Å; F277-N280 PolarHBondContact O-N 2.7Å; F277-N280 VanDerWaalsContact O-O 3.11Å; N280-K450 PolarHBondContact OD1-NZ 3.38Å
281P96.4Very high95.3Very high0 Ų037.4 Ų37.40%017%0.169CC..  trans-71.7174.9170.729.8-37.9000113.3Q257 P258 K279 Y283 W286 V305Q257-P281 PolarHBondContact NE2-O 3.24Å; P258-P281 CarbonylContact O-C 3.53Å; P258-P281 WeakPolarHBondContact O-CA 3.09Å; K279-P281 VanDerWaalsContact C-CD 3.45Å; K279-P281 WeakPolarHBondContact O-CD 3.44Å; P281-Y283 VanDerWaalsContact C-N 3.33Å; P281-Y283 WeakPolarHBondContact CB-O 3.18Å; P281-Y283 WeakPolarHBondContact CG-O 3.26Å; P281-W286 HydrophobicContact CG-CZ2 4.29Å; P281-V305 HydrophobicContact CG-CG1 4.01Å; P281-V305 VanDerWaalsContact O-CB 3.25Å; P281-V305 WeakPolarHBondContact O-CB 3.33Å; P281-V305 WeakPolarHBondContact O-CG1 3.38Å
282Y94.9Very high95.2Very high102 Ų10231.2 Ų31.240%0.415%0.15SC..SBendtrans-68.7-31.7175.4-80.116.8000113.3Q257 P258 M302Q257-Y282 HydrophobicContact CB-CD1 4.14Å; Q257-Y282 HydrophobicContact CB-CE1 3.75Å; Q257-Y282 VanDerWaalsContact CD-CD1 3.4Å; Q257-Y282 VanDerWaalsContact CD-CE1 3.48Å; Q257-Y282 HydrophobicContact CG-CD1 3.63Å; Q257-Y282 HydrophobicContact CG-CE1 3.73Å; Q257-Y282 VanDerWaalsContact OE1-CE1 3.27Å; P258-Y282 PolarHBondContact O-N 2.99Å; Y282-M302 WeakPolarHBondContact O-CE 3.27Å
283Y97.3Very high95.4Very high51 Ų5129.4 Ų29.420%0.214%0.137CC..SBendtrans-119.6140.5175.7-58.7-71.4000108.7Y64 F68 I69 K259 P281 V285 M302Y64-Y283 AromaticContact CD2-CD2 3.75Å; Y64-Y283 HydrophobicContact CD2-CD2 3.75Å; Y64-Y283 AromaticContact CD2-CE2 3.79Å; Y64-Y283 HydrophobicContact CD2-CE2 3.79Å; Y64-Y283 HydrophobicContact CD2-CG 4.47Å; Y64-Y283 HydrophobicContact CE2-CD2 4.44Å; Y64-Y283 HydrophobicContact CE2-CE2 4.19Å; Y64-Y283 AromaticContact CG-CD2 3.9Å; Y64-Y283 HydrophobicContact CG-CD2 3.9Å; Y64-Y283 HydrophobicContact CG-CE2 4.41Å; Y64-Y283 HydrophobicContact CG-CG 4.43Å; F68-Y283 HydrophobicContact CB-CD1 3.49Å; F68-Y283 VanDerWaalsContact CB-CD1 3.49Å; F68-Y283 HydrophobicContact CB-CE1 3.48Å; F68-Y283 VanDerWaalsContact CB-CE1 3.48Å; F68-Y283 HydrophobicContact CB-CG 4.44Å; F68-Y283 HydrophobicContact CD1-CD1 4.14Å; F68-Y283 AromaticContact CD2-CD1 3.53Å; F68-Y283 HydrophobicContact CD2-CD1 3.53Å; F68-Y283 HydrophobicContact CD2-CE1 4.39Å; F68-Y283 AromaticContact CD2-CG 3.87Å; F68-Y283 HydrophobicContact CD2-CG 3.87Å; F68-Y283 HydrophobicContact CE2-CD1 4.36Å; F68-Y283 AromaticContact CG-CD1 3.43Å; F68-Y283 HydrophobicContact CG-CD1 3.43Å; F68-Y283 VanDerWaalsContact CG-CD1 3.43Å; F68-Y283 AromaticContact CG-CE1 3.97Å; F68-Y283 HydrophobicContact CG-CE1 3.97Å; F68-Y283 HydrophobicContact CG-CG 4.24Å; I69-Y283 WeakPolarHBondContact CD1-OH 3.41Å; K259-Y283 HydrophobicContact CB-CD2 4.25Å; K259-Y283 HydrophobicContact CB-CE2 4.49Å; K259-Y283 HydrophobicContact CG-CE2 4.48Å; K259-Y283 PolarHBondContact O-N 3.09Å; K259-Y283 VanDerWaalsContact O-N 3.11Å; P281-Y283 VanDerWaalsContact C-N 3.33Å; P281-Y283 WeakPolarHBondContact CB-O 3.18Å; P281-Y283 WeakPolarHBondContact CG-O 3.26Å; Y283-V285 PolarHBondContact O-N 3.03Å; Y283-M302 HydrophobicContact CD1-SD 4.26Å
284P96.9Very high95.7Very high0 Ų024.4 Ų24.40%012%0.115CC..SBendtrans-69.46417933.7-41.9000111.9F68 W286 A298 S299 D301 M302 L304 V305F68-P284 HydrophobicContact CE1-CG 4.08Å; F68-P284 HydrophobicContact CE2-CG 4.09Å; F68-P284 HydrophobicContact CZ-CG 3.42Å; F68-P284 VanDerWaalsContact CZ-CG 3.42Å; P284-W286 VanDerWaalsContact CA-CZ3 3.44Å; P284-W286 HydrophobicContact CB-CH2 3.44Å; P284-W286 VanDerWaalsContact CB-CH2 3.44Å; P284-W286 HydrophobicContact CB-CZ2 4.41Å; P284-W286 HydrophobicContact CB-CZ3 3.64Å; P284-W286 VanDerWaalsContact O-CZ3 3.29Å; P284-W286 WeakPolarHBondContact O-CZ3 3.44Å; P284-A298 CarbonylContact O-C 3.57Å; P284-A298 VanDerWaalsContact O-CA 3.29Å; P284-A298 WeakPolarHBondContact O-CA 3.41Å; P284-S299 WeakPolarHBondContact CG-O 3.49Å; P284-S299 PolarHBondContact O-N 2.9Å; P284-D301 WeakPolarHBondContact CB-O 3.48Å; P284-D301 WeakPolarHBondContact CG-O 3.02Å; P284-M302 WeakPolarHBondContact CD-SD 3.38Å; P284-M302 HydrophobicContact CG-SD 4.23Å; P284-L304 HydrophobicContact CB-CB 4.22Å; P284-V305 HydrophobicContact CB-CG1 4.08Å
285V98.7Very high95.7Very high0 Ų024.3 Ų24.30%011%0.114CC..EExtended strand (participates in β ladder)trans-135119.7177.6-176.90000106.7A60 M63 F68 T260 G261 Y283 V296 L297 A298A60-V285 HydrophobicContact CB-CG1 3.91Å; M63-V285 HydrophobicContact CB-CG1 4.28Å; F68-V285 HydrophobicContact CE2-CG2 3.98Å; T260-V285 CarbonylContact C-O 3.59Å; T260-V285 WeakPolarHBondContact CA-O 3.42Å; T260-V285 HydrophobicContact CG2-CB 4.17Å; T260-V285 HydrophobicContact CG2-CG1 4.13Å; G261-V285 PolarHBondContact N-O 3.11Å; Y283-V285 PolarHBondContact O-N 3.03Å; V285-V296 HydrophobicContact CG1-CG1 3.82Å; V285-L297 CarbonylContact C-O 3.57Å; V285-L297 WeakPolarHBondContact CA-O 3.26Å; V285-A298 HydrophobicContact CB-CB 4.46Å; V285-A298 HydrophobicContact CG1-CB 4.39Å; V285-A298 HydrophobicContact CG2-CB 3.91Å
286W98.6Very high96Very high0 Ų024 Ų240%011%0.111CC..EExtended strand (participates in β ladder)trans-123.6134.5-178.7-60.7-97.9000109.8G261 L263 K279 P281 P284 L288 V296 L297 L304 V305 K450 W451G261-W286 WeakPolarHBondContact O-CA 3.21Å; L263-W286 HydrophobicContact CD1-CB 4.38Å; L263-W286 HydrophobicContact CD1-CG 4.16Å; L263-W286 HydrophobicContact CG-CB 4.38Å; L263-W286 HydrophobicContact CG-CG 4.27Å; K279-W286 PolarHBondContact O-NE1 3.05Å; P281-W286 HydrophobicContact CG-CZ2 4.29Å; P284-W286 VanDerWaalsContact CA-CZ3 3.44Å; P284-W286 HydrophobicContact CB-CH2 3.44Å; P284-W286 VanDerWaalsContact CB-CH2 3.44Å; P284-W286 HydrophobicContact CB-CZ2 4.41Å; P284-W286 HydrophobicContact CB-CZ3 3.64Å; P284-W286 VanDerWaalsContact O-CZ3 3.29Å; P284-W286 WeakPolarHBondContact O-CZ3 3.44Å; W286-L288 HydrophobicContact CB-CD2 4.13Å; W286-V296 WeakPolarHBondContact O-CA 3.42Å; W286-L297 PolarHBondContact N-O 2.96Å; W286-L297 PolarHBondContact O-N 2.73Å; W286-L304 HydrophobicContact CH2-CB 4Å; W286-V305 HydrophobicContact CH2-CG1 3.92Å; W286-V305 HydrophobicContact CZ2-CG1 3.52Å; W286-K450 HydrophobicContact CZ2-CD 4.38Å; W286-W451 AromaticContact CH2-CH2 3.67Å; W286-W451 HydrophobicContact CH2-CH2 3.67Å; W286-W451 HydrophobicContact CH2-CZ2 4.17Å; W286-W451 AromaticContact CZ2-CH2 4Å; W286-W451 HydrophobicContact CZ2-CH2 4Å; W286-W451 HydrophobicContact CZ2-CZ2 4.35Å; W286-W451 HydrophobicContact CZ3-CH2 4.06Å
287I98.8Very high96.3Very high0 Ų021.5 Ų21.50%010%0.101CC..EExtended strand (participates in β ladder)trans-77.2128.8162.1-64.9148.1000106.9A56 T57 A60 I231 G261 F262 L263 L294 T295 V296A56-I287 HydrophobicContact CB-CG2 4.48Å; T57-I287 HydrophobicContact CG2-CD1 3.54Å; A60-I287 HydrophobicContact CB-CD1 4.09Å; A60-I287 HydrophobicContact CB-CG1 3.75Å; I231-I287 HydrophobicContact CD1-CD1 3.46Å; I231-I287 VanDerWaalsContact CD1-CD1 3.46Å; I231-I287 HydrophobicContact CG1-CD1 3.54Å; G261-I287 PolarHBondContact O-N 2.93Å; F262-I287 WeakPolarHBondContact CA-O 3.31Å; F262-I287 HydrophobicContact CD2-CB 4.03Å; F262-I287 HydrophobicContact CD2-CG2 3.94Å; F262-I287 WeakPolarHBondContact CD2-O 3.28Å; F262-I287 HydrophobicContact CE2-CG2 4.12Å; L263-I287 PolarHBondContact N-O 3.14Å; I287-L294 HydrophobicContact CG2-CB 4.16Å; I287-L294 HydrophobicContact CG2-CD1 4.37Å; I287-L294 HydrophobicContact CG2-CD2 4.24Å; I287-L294 HydrophobicContact CG2-CG 4.49Å; I287-T295 CarbonylContact C-O 3.5Å; I287-T295 WeakPolarHBondContact CA-O 3.29Å; I287-V296 HydrophobicContact CG1-CG2 4.39Å
288L98.3Very high96.4Very high0 Ų020.6 Ų20.60%010%0.097CC..EExtended strand (participates in β ladder)trans-103.7122.9176.9-52.1-174.4000109.6L263 W286 L294 T295 L297 I443 L447 L466L263-L288 HydrophobicContact CB-CD2 3.79Å; L263-L288 HydrophobicContact CD1-CD2 4.04Å; L263-L288 HydrophobicContact CG-CD2 4.32Å; L263-L288 CarbonylContact O-C 3.46Å; L263-L288 VanDerWaalsContact O-CA 3.29Å; L263-L288 WeakPolarHBondContact O-CA 3.39Å; W286-L288 HydrophobicContact CB-CD2 4.13Å; L288-L294 WeakPolarHBondContact O-CA 3.47Å; L288-T295 PolarHBondContact N-O 2.92Å; L288-T295 PolarHBondContact O-N 3.3Å; L288-L297 HydrophobicContact CD1-CB 3.78Å; L288-L297 HydrophobicContact CD1-CD2 4.32Å; L288-L297 HydrophobicContact CD2-CB 4.17Å; L288-L297 HydrophobicContact CG-CB 3.89Å; L288-I443 HydrophobicContact CD1-CG1 4.49Å; L288-I443 HydrophobicContact CD1-CG2 4.29Å; L288-L447 HydrophobicContact CD2-CD2 4.19Å; L288-L466 HydrophobicContact CB-CD1 3.54Å; L288-L466 HydrophobicContact CD1-CD1 4Å; L288-L466 HydrophobicContact CG-CD1 4.46Å
289G96.9Very high96.4Very high1 Ų120.6 Ų20.61%0.0110%0.097CC..EExtended strand (participates in β ladder)trans-95.8127.8175.700000113.4L263 T264 F265L263-G289 PolarHBondContact O-N 2.58Å; T264-G289 CarbonylContact C-O 3.58Å; T264-G289 WeakPolarHBondContact CA-O 3.35Å; T264-G289 PolarHBondContact OG1-O 3.45Å; F265-G289 WeakPolarHBondContact CB-O 3.34Å; F265-G289 PolarHBondContact N-O 2.91Å
290S94.3Very high96.4Very high20 Ų2022 Ų2214%0.1411%0.11CC..  trans-88.1-169.5155.166.60000109.9T292 H293 L466S290-T292 VanDerWaalsContact C-N 3.28Å; S290-T292 PolarHBondContact O-N 3.07Å; S290-T292 PolarHBondContact OG-N 2.79Å; S290-H293 PolarHBondContact N-O 2.95Å; S290-H293 WeakPolarHBondContact OG-CA 3.45Å; S290-H293 PolarHBondContact OG-N 3.08Å; S290-H293 PolarHBondContact OG-O 3.04Å; S290-L466 PolarHBondContact OG-O 2.63Å
291E89.3Confident96.4Very high141 Ų14123.6 Ų23.666%0.65912%0.118SC*.SBendtrans-63.5-32172.3-64.2178.4-178.300113M269M269-E291 HydrophobicContact CE-CG 4.09Å
292T90.7Very high96.1Very high52 Ų5226.9 Ų26.932%0.31914%0.135SC..SBendtrans-133.9-5.7-169.461.90000114.8H221 S290 N467H221-T292 PolarHBondContact CE1-O 2.81Å; H221-T292 PolarHBondContact ND1-O 2.76Å; S290-T292 VanDerWaalsContact C-N 3.28Å; S290-T292 PolarHBondContact O-N 3.07Å; S290-T292 PolarHBondContact OG-N 2.79Å; T292-N467 PolarHBondContact OG1-ND2 3.46Å
293H95.7Very high95.7Very high5 Ų525.7 Ų25.72%0.02314%0.141CC..  trans-144.7152.4-174.2-171.450.1000112.2Q46 S290 N405 L407 N467Q46-H293 PolarHBondContact OE1-CE1 3.4Å; S290-H293 PolarHBondContact N-O 2.95Å; S290-H293 WeakPolarHBondContact OG-CA 3.45Å; S290-H293 PolarHBondContact OG-N 3.08Å; S290-H293 PolarHBondContact OG-O 3.04Å; H293-N405 PolarHBondContact NE2-OD1 3.29Å; H293-L407 VanDerWaalsContact CE1-CD1 3.49Å; H293-L407 WeakPolarHBondContact CE1-CD1 3.46Å; H293-L407 WeakPolarHBondContact NE2-CD1 3.47Å; H293-N467 HydrophobicContact CB-CB 4.32Å; H293-N467 WeakPolarHBondContact CB-OD1 3.36Å
294L97.9Very high95.3Very high11 Ų1123.7 Ų23.76%0.05813%0.134CC..EExtended strand (participates in β ladder)trans-117.3133.3178.9-59.3177000110.2C52 A53 A56 I227 F262 I287 L288C52-L294 HydrophobicContact CB-CB 4.15Å; A53-L294 HydrophobicContact CB-CD1 4.03Å; A56-L294 HydrophobicContact CB-CB 3.75Å; I227-L294 HydrophobicContact CD1-CD1 3.89Å; I227-L294 HydrophobicContact CD1-CD2 4.27Å; I227-L294 HydrophobicContact CG1-CD1 4.01Å; F262-L294 HydrophobicContact CE2-CD2 4.07Å; I287-L294 HydrophobicContact CG2-CB 4.16Å; I287-L294 HydrophobicContact CG2-CD1 4.37Å; I287-L294 HydrophobicContact CG2-CD2 4.24Å; I287-L294 HydrophobicContact CG2-CG 4.49Å; L288-L294 WeakPolarHBondContact O-CA 3.47Å
295T98.1Very high94.9Very high0 Ų024.3 Ų24.30%014%0.138CC..EExtended strand (participates in β ladder)trans-122.3175.8173.862.30000109.3I287 L288 H403 Y404 N405 L466I287-T295 CarbonylContact C-O 3.5Å; I287-T295 WeakPolarHBondContact CA-O 3.29Å; L288-T295 PolarHBondContact N-O 2.92Å; L288-T295 PolarHBondContact O-N 3.3Å; T295-H403 WeakPolarHBondContact CB-NE2 3.37Å; T295-H403 PolarHBondContact OG1-NE2 3.06Å; T295-H403 VanDerWaalsContact OG1-NE2 3.15Å; T295-Y404 WeakPolarHBondContact CA-O 3.24Å; T295-Y404 WeakPolarHBondContact CB-O 3.24Å; T295-N405 HydrophobicContact CG2-CB 3.87Å; T295-L466 VanDerWaalsContact OG1-CD1 3.25Å; T295-L466 WeakPolarHBondContact OG1-CD1 3.33Å
296V98.8Very high94Very high0 Ų026.6 Ų26.60%015%0.153CC..EExtended strand (participates in β ladder)trans-127.1137.5177.9-174.20000109.3A56 Q59 A60 M63 V285 W286 I287 H403 Y404A56-V296 HydrophobicContact CB-CG2 4.07Å; A56-V296 WeakPolarHBondContact O-CG2 3.26Å; Q59-V296 HydrophobicContact CB-CG2 4.13Å; Q59-V296 HydrophobicContact CG-CG2 4.24Å; A60-V296 HydrophobicContact CB-CG1 3.84Å; A60-V296 HydrophobicContact CB-CG2 4.14Å; M63-V296 HydrophobicContact SD-CB 4.03Å; M63-V296 HydrophobicContact SD-CG1 3.49Å; M63-V296 WeakPolarHBondContact SD-CG1 3.39Å; V285-V296 HydrophobicContact CG1-CG1 3.82Å; W286-V296 WeakPolarHBondContact O-CA 3.42Å; I287-V296 HydrophobicContact CG1-CG2 4.39Å; V296-H403 CarbonylContact O-C 3.57Å; V296-H403 WeakPolarHBondContact O-CA 3.33Å; V296-Y404 HydrophobicContact CB-CD1 3.97Å; V296-Y404 HydrophobicContact CG2-CD1 3.86Å; V296-Y404 HydrophobicContact CG2-CE1 4.37Å; V296-Y404 PolarHBondContact N-O 3.02Å; V296-Y404 PolarHBondContact O-N 3.27Å
297L98.5Very high92.9Very high0 Ų032.9 Ų32.90%018%0.181CC..EExtended strand (participates in β ladder)trans-119.3135171.1-172.476.4000109V285 W286 L288 L401 I402 H403 L447 W458V285-L297 CarbonylContact C-O 3.57Å; V285-L297 WeakPolarHBondContact CA-O 3.26Å; W286-L297 PolarHBondContact N-O 2.96Å; W286-L297 PolarHBondContact O-N 2.73Å; L288-L297 HydrophobicContact CD1-CB 3.78Å; L288-L297 HydrophobicContact CD1-CD2 4.32Å; L288-L297 HydrophobicContact CD2-CB 4.17Å; L288-L297 HydrophobicContact CG-CB 3.89Å; L297-L401 HydrophobicContact CD1-CB 4.14Å; L297-L401 HydrophobicContact CD1-CD1 4.38Å; L297-L401 HydrophobicContact CD1-CD2 4.08Å; L297-L401 HydrophobicContact CD1-CG 4.45Å; L297-L401 HydrophobicContact CD2-CD2 3.88Å; L297-L401 HydrophobicContact CG-CD2 4.06Å; L297-I402 CarbonylContact C-O 3.39Å; L297-I402 WeakPolarHBondContact CA-O 3.43Å; L297-H403 HydrophobicContact CD1-CB 3.94Å; L297-L447 HydrophobicContact CD2-CD1 3.5Å; L297-L447 HydrophobicContact CD2-CD2 3.51Å; L297-L447 HydrophobicContact CD2-CG 4.09Å; L297-W458 HydrophobicContact CD1-CH2 4.17Å
298A98.5Very high91.4Very high0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-131.9162171.400000111.1M63 L67 P284 V285 I402M63-A298 HydrophobicContact CE-CB 3.39Å; M63-A298 HydrophobicContact SD-CB 4.39Å; L67-A298 HydrophobicContact CD1-CB 4.06Å; P284-A298 CarbonylContact O-C 3.57Å; P284-A298 VanDerWaalsContact O-CA 3.29Å; P284-A298 WeakPolarHBondContact O-CA 3.41Å; V285-A298 HydrophobicContact CB-CB 4.46Å; V285-A298 HydrophobicContact CG1-CB 4.39Å; V285-A298 HydrophobicContact CG2-CB 3.91Å; A298-I402 HydrophobicContact CB-CB 4.49Å; A298-I402 PolarHBondContact N-O 3.34Å; A298-I402 PolarHBondContact O-N 3.38Å
299S97.1Very high89.6Confident0 Ų040.3 Ų40.30%022%0.224CC..  trans-137.3145.5165.1167.80000108.2F68 P284 D301 L304 Q400F68-S299 WeakPolarHBondContact CZ-O 3.33Å; P284-S299 WeakPolarHBondContact CG-O 3.49Å; P284-S299 PolarHBondContact O-N 2.9Å; S299-D301 PolarHBondContact O-N 3.47Å; S299-D301 WeakPolarHBondContact OG-CB 3.34Å; S299-D301 PolarHBondContact OG-N 3.46Å; S299-L304 VanDerWaalsContact OG-CD1 3.27Å; S299-L304 WeakPolarHBondContact OG-CD1 3.46Å; S299-Q400 WeakPolarHBondContact CA-O 3.39Å; S299-Q400 WeakPolarHBondContact CB-O 3.22Å; S299-Q400 PolarHBondContact OG-O 3.12Å
300P95.5Very high87.5Confident64 Ų6448.5 Ų48.542%0.41626%0.26SS..SBendtrans-70.1-10.1170.230.6-34.8000113M302 Q400P300-M302 PolarHBondContact O-N 3.31Å; P300-Q400 HydrophobicContact CG-CB 4.33Å
301D93Very high85Confident48 Ų4849.6 Ų49.626%0.25727%0.267SS..  trans-85.2107.8-174.1-170.6-7.7000112.8P284 S299 S303 L304 F399P284-D301 WeakPolarHBondContact CB-O 3.48Å; P284-D301 WeakPolarHBondContact CG-O 3.02Å; S299-D301 PolarHBondContact O-N 3.47Å; S299-D301 WeakPolarHBondContact OG-CB 3.34Å; S299-D301 PolarHBondContact OG-N 3.46Å; D301-S303 PolarHBondContact O-N 2.85Å; D301-S303 WeakPolarHBondContact OD1-CB 3.04Å; D301-S303 PolarHBondContact OD1-N 2.82Å; D301-S303 PolarHBondContact OD1-OG 3.34Å; D301-S303 PolarHBondContact OD2-OG 2.85Å; D301-L304 HydrophobicContact CB-CD1 4.1Å; D301-L304 HydrophobicContact CB-CG 4.12Å; D301-L304 WeakPolarHBondContact O-CB 3.25Å; D301-L304 WeakPolarHBondContact O-CG 3.49Å; D301-L304 PolarHBondContact O-N 3.03Å; D301-F399 HydrophobicContact CB-CB 4.25Å
302M90.8Very high82.8Confident70 Ų7051.3 Ų51.335%0.34528%0.275SS..G310 helixtrans-68.6-15.7177.2-76.6-64.2-47.200114.2F68 Y282 Y283 P284 P300 L304 V305F68-M302 HydrophobicContact CD1-CG 4.26Å; F68-M302 HydrophobicContact CD1-SD 3.78Å; F68-M302 HydrophobicContact CE1-CG 3.97Å; F68-M302 HydrophobicContact CE1-SD 3.65Å; F68-M302 HydrophobicContact CZ-SD 4.35Å; Y282-M302 WeakPolarHBondContact O-CE 3.27Å; Y283-M302 HydrophobicContact CD1-SD 4.26Å; P284-M302 WeakPolarHBondContact CD-SD 3.38Å; P284-M302 HydrophobicContact CG-SD 4.23Å; P300-M302 PolarHBondContact O-N 3.31Å; M302-L304 PolarHBondContact O-N 2.84Å; M302-V305 HydrophobicContact CE-CG2 3.84Å; M302-V305 WeakPolarHBondContact O-CG2 3.06Å; M302-V305 PolarHBondContact O-N 3.38Å
303S85.6Confident80.6Confident76 Ų7654.9 Ų54.953%0.53130%0.297SS..G310 helixtrans-67.1-21.4178.1760000112.6D301 V305D301-S303 PolarHBondContact O-N 2.85Å; D301-S303 WeakPolarHBondContact OD1-CB 3.04Å; D301-S303 PolarHBondContact OD1-N 2.82Å; D301-S303 PolarHBondContact OD1-OG 3.34Å; D301-S303 PolarHBondContact OD2-OG 2.85Å; S303-V305 PolarHBondContact O-N 2.91Å
304L89.1Confident78.3Confident10 Ų1062.1 Ų62.15%0.05234%0.336CS..G310 helixtrans-70.2-11.4-179-63.9-179.3000114.5P284 W286 S299 D301 M302 F399 K450 W451P284-L304 HydrophobicContact CB-CB 4.22Å; W286-L304 HydrophobicContact CH2-CB 4Å; S299-L304 VanDerWaalsContact OG-CD1 3.27Å; S299-L304 WeakPolarHBondContact OG-CD1 3.46Å; D301-L304 HydrophobicContact CB-CD1 4.1Å; D301-L304 HydrophobicContact CB-CG 4.12Å; D301-L304 WeakPolarHBondContact O-CB 3.25Å; D301-L304 WeakPolarHBondContact O-CG 3.49Å; D301-L304 PolarHBondContact O-N 3.03Å; M302-L304 PolarHBondContact O-N 2.84Å; L304-F399 HydrophobicContact CD1-CB 4.4Å; L304-F399 HydrophobicContact CD1-CD2 3.53Å; L304-F399 HydrophobicContact CD1-CE2 3.81Å; L304-F399 HydrophobicContact CD1-CG 3.93Å; L304-F399 HydrophobicContact CD1-CZ 4.47Å; L304-F399 HydrophobicContact CD2-CD1 3.71Å; L304-F399 HydrophobicContact CD2-CD2 4.1Å; L304-F399 HydrophobicContact CD2-CE1 3.73Å; L304-F399 HydrophobicContact CD2-CE2 4.09Å; L304-F399 HydrophobicContact CD2-CG 3.89Å; L304-F399 HydrophobicContact CD2-CZ 3.91Å; L304-F399 HydrophobicContact CG-CD2 4.42Å; L304-F399 HydrophobicContact CG-CG 4.42Å; L304-K450 PolarHBondContact O-NZ 3.05Å; L304-W451 HydrophobicContact CB-CH2 4.44Å; L304-W451 HydrophobicContact CB-CZ2 3.9Å; L304-W451 HydrophobicContact CD1-CH2 4.41Å; L304-W451 HydrophobicContact CD1-CZ2 4.44Å; L304-W451 HydrophobicContact CD2-CZ2 3.88Å; L304-W451 HydrophobicContact CG-CZ2 4.29Å
305V89Confident76.2Confident13 Ų1365 Ų658%0.07936%0.357CS..  trans-125.6141.2179.2-670000111.4P281 P284 W286 M302 S303P281-V305 HydrophobicContact CG-CG1 4.01Å; P281-V305 VanDerWaalsContact O-CB 3.25Å; P281-V305 WeakPolarHBondContact O-CB 3.33Å; P281-V305 WeakPolarHBondContact O-CG1 3.38Å; P284-V305 HydrophobicContact CB-CG1 4.08Å; W286-V305 HydrophobicContact CH2-CG1 3.92Å; W286-V305 HydrophobicContact CZ2-CG1 3.52Å; M302-V305 HydrophobicContact CE-CG2 3.84Å; M302-V305 WeakPolarHBondContact O-CG2 3.06Å; M302-V305 PolarHBondContact O-N 3.38Å; S303-V305 PolarHBondContact O-N 2.91Å
306S80.6Confident74.4Confident47 Ų4770.3 Ų70.333%0.32938%0.384SS..  trans-106.9134.1173.1-540000109.7Q257 W276Q257-S306 PolarHBondContact NE2-O 3.22Å; W276-S306 WeakPolarHBondContact CH2-O 3.38Å
307K74.2Confident73Confident132 Ų13271.3 Ų71.357%0.57439%0.391SS*.  trans-83.1133.9174.8-68.5-179.2-178.7176.30109.8V309K307-V309 VanDerWaalsContact C-N 3.26Å; K307-V309 HydrophobicContact CB-CG2 4.5Å; K307-V309 PolarHBondContact O-N 3.05Å
308N68.3Low72.1Confident46 Ų4673 Ų7325%0.24641%0.409CS..  trans-74.486.3169.7-169.220000108.3W276 F277 K310 R320W276-N308 HydrophobicContact CH2-CB 3.98Å; W276-N308 HydrophobicContact CZ3-CB 3.97Å; F277-N308 HydrophobicContact CE1-CB 4.47Å; N308-K310 VanDerWaalsContact C-N 3.34Å; N308-K310 PolarHBondContact O-N 3.47Å; N308-R320 PolarHBondContact ND2-NH1 3.17Å
309V60.7Low71.4Confident110 Ų11074.1 Ų74.167%0.66741%0.414SS*.  trans-70.396.3173.5-1730000106.7K307 S311K307-V309 VanDerWaalsContact C-N 3.26Å; K307-V309 HydrophobicContact CB-CG2 4.5Å; K307-V309 PolarHBondContact O-N 3.05Å; V309-S311 PolarHBondContact O-N 3.49Å
310K52.6Low70.5Confident174 Ų17475 Ų7576%0.75742%0.418SS*.  trans-63.892.9159.7-72.5-173.2178.9-176.70105.6N308 E312N308-K310 VanDerWaalsContact C-N 3.34Å; N308-K310 PolarHBondContact O-N 3.47Å; K310-E312 PolarHBondContact O-N 3.48Å; K310-E312 VanDerWaalsContact O-N 3.08Å
311S42.1Very low69.9Low43 Ų4375.1 Ų75.130%0.30141%0.413SS..  trans-45.6119.9171.4-91.80000108.2V309 S315 I316V309-S311 PolarHBondContact O-N 3.49Å; S311-S315 VanDerWaalsContact CB-CB 3.48Å; S311-S315 WeakPolarHBondContact CB-O 3.32Å; S311-S315 WeakPolarHBondContact OG-CB 3.39Å; S311-S315 PolarHBondContact OG-O 2.95Å; S311-S315 PolarHBondContact OG-OG 3.01Å; S311-S315 VanDerWaalsContact OG-OG 3.07Å; S311-I316 PolarHBondContact OG-O 3.04Å
312E42.1Very low69.7Low177 Ų17772.9 Ų72.983%0.82740%0.401SS*.  trans-48.4148.2161.3-68.4-176.617100108.5K310 N314 S315K310-E312 PolarHBondContact O-N 3.48Å; K310-E312 VanDerWaalsContact O-N 3.08Å; E312-N314 PolarHBondContact O-N 3.08Å; E312-S315 PolarHBondContact O-N 2.82Å
313T44.6Very low69.6Low126 Ų12672.2 Ų72.277%0.77340%0.397SS*.THydrogen-bonded Turntrans-42.9-2.5-15416.20000120.8R352T313-R352 PolarHBondContact O-NH1 3.15Å
314N47.7Very low69.6Low157 Ų15772.2 Ų72.284%0.8439%0.39SS*.THydrogen-bonded Turntrans-132.97.5179.9-73.3-29.1000115.7E312E312-N314 PolarHBondContact O-N 3.08Å
315S53.4Low69.6Low73 Ų7373.3 Ų73.351%0.5140%0.395SS..SBendtrans-94.9143.1-176.5-178.20000112.1S311 E312S311-S315 VanDerWaalsContact CB-CB 3.48Å; S311-S315 WeakPolarHBondContact CB-O 3.32Å; S311-S315 WeakPolarHBondContact OG-CB 3.39Å; S311-S315 PolarHBondContact OG-O 2.95Å; S311-S315 PolarHBondContact OG-OG 3.01Å; S311-S315 VanDerWaalsContact OG-OG 3.07Å; E312-S315 PolarHBondContact O-N 2.82Å
316I60.6Low69.8Low110 Ų11072.7 Ų72.756%0.56439%0.391SS*.PPolyproline II helixtrans-51.7140.4-175.9-62.4165.5000109.6S311 G318 L353S311-I316 PolarHBondContact OG-O 3.04Å; I316-G318 PolarHBondContact O-N 3.3Å; I316-L353 HydrophobicContact CG2-CD2 3.62Å
317S69.4Low70.1Confident22 Ų2273.3 Ų73.315%0.15439%0.391CS..PPolyproline II helixtrans-60.8121.3176-71.10000109.9L351 F385S317-L351 VanDerWaalsContact CB-O 3.31Å; S317-L351 WeakPolarHBondContact CB-O 3.43Å; S317-L351 PolarHBondContact OG-O 2.92Å; S317-L351 VanDerWaalsContact OG-O 3.14Å; S317-F385 WeakPolarHBondContact O-CE1 3.48Å; S317-F385 WeakPolarHBondContact O-CZ 3.27Å
318G79.8Confident70.7Confident35 Ų3574.4 Ų74.436%0.36139%0.392SS..PPolyproline II helixtrans-67.6166.8177.800000113I316 R320 Q321 A322I316-G318 PolarHBondContact O-N 3.3Å; G318-R320 PolarHBondContact O-N 3.1Å; G318-Q321 PolarHBondContact O-N 2.99Å; G318-A322 PolarHBondContact O-N 3.02Å; G318-A322 VanDerWaalsContact O-N 3.15Å
319I84.2Confident71.8Confident24 Ų2472.8 Ų72.812%0.12338%0.384CS..Hα-helixtrans-48.9-40.4-173.5-165.7173.5000113.7Q321 A322 E323 L381 F385 E388 M389I319-Q321 PolarHBondContact O-N 2.98Å; I319-A322 CarbonylContact O-C 3.51Å; I319-A322 WeakPolarHBondContact O-CA 3.34Å; I319-A322 WeakPolarHBondContact O-CB 3.38Å; I319-A322 PolarHBondContact O-N 3.06Å; I319-A322 VanDerWaalsContact O-N 3.1Å; I319-E323 WeakPolarHBondContact O-CG 3.46Å; I319-E323 PolarHBondContact O-N 3.03Å; I319-L381 HydrophobicContact CG1-CD2 3.99Å; I319-F385 HydrophobicContact CB-CB 4.16Å; I319-F385 HydrophobicContact CB-CD1 4.12Å; I319-F385 HydrophobicContact CB-CG 4.02Å; I319-F385 HydrophobicContact CD1-CB 4Å; I319-F385 HydrophobicContact CG1-CB 3.96Å; I319-F385 HydrophobicContact CG1-CD2 4.3Å; I319-F385 HydrophobicContact CG1-CG 4.04Å; I319-E388 HydrophobicContact CB-CB 4.08Å; I319-E388 HydrophobicContact CB-CG 4.22Å; I319-E388 HydrophobicContact CD1-CB 3.68Å; I319-E388 HydrophobicContact CG1-CB 4.43Å; I319-E388 HydrophobicContact CG2-CB 4.05Å; I319-E388 HydrophobicContact CG2-CG 4.11Å; I319-M389 HydrophobicContact CD1-CE 3.88Å; I319-M389 HydrophobicContact CD1-CG 4.01Å; I319-M389 HydrophobicContact CD1-SD 4.29Å
320R78Confident73.2Confident17 Ų1767.7 Ų67.76%0.06435%0.353CS..Hα-helixtrans-64.9-43.4179.1-171.1-158.2179-176.1-3.3112.8D241 W276 F277 N308 G318 A322 E323 I324D241-R320 IonicContact OD2-CZ 2.8Å; D241-R320 IonicContact OD2-NH2 3.81Å; D241-R320 PolarHBondContact OD2-NH2 2.85Å; W276-R320 HydrophobicContact CD2-CG 4.38Å; W276-R320 VanDerWaalsContact CE2-CD 3.41Å; W276-R320 VanDerWaalsContact CE3-NH2 3.28Å; W276-R320 HydrophobicContact CG-CG 4.5Å; W276-R320 VanDerWaalsContact CG-NE 3.34Å; W276-R320 HydrophobicContact CZ2-CG 4.26Å; F277-R320 VanDerWaalsContact CD1-NH2 3.32Å; F277-R320 VanDerWaalsContact CE1-NH2 3.29Å; N308-R320 PolarHBondContact ND2-NH1 3.17Å; G318-R320 PolarHBondContact O-N 3.1Å; R320-A322 PolarHBondContact O-N 3.47Å; R320-E323 WeakPolarHBondContact O-CB 3.36Å; R320-E323 PolarHBondContact O-N 3.27Å; R320-E323 VanDerWaalsContact O-N 3.13Å; R320-I324 HydrophobicContact CG-CD1 4.13Å; R320-I324 WeakPolarHBondContact O-CG1 3.36Å; R320-I324 PolarHBondContact O-N 3.05Å
321Q83Confident74.6Confident68 Ų6864 Ų6432%0.31835%0.346SS..Hα-helixtrans-62.4-36.1176-172.465.140.100109.4G318 I319 I324 E325 L351G318-Q321 PolarHBondContact O-N 2.99Å; I319-Q321 PolarHBondContact O-N 2.98Å; Q321-I324 PolarHBondContact O-N 3.43Å; Q321-E325 HydrophobicContact CG-CG 4.4Å; Q321-E325 PolarHBondContact NE2-OE1 3.47Å; Q321-E325 WeakPolarHBondContact O-CG 3.42Å; Q321-E325 PolarHBondContact O-N 2.79Å; Q321-L351 HydrophobicContact CB-CD2 4.39Å; Q321-L351 HydrophobicContact CG-CD2 3.96Å; Q321-L351 WeakPolarHBondContact O-CD2 3.41Å
322A88.9Confident76.4Confident0 Ų064.2 Ų64.20%035%0.345CS..Hα-helixtrans-59.3-46.7172.400000112G318 I319 R320 I324 F326 L351 F380 L381 F385G318-A322 PolarHBondContact O-N 3.02Å; G318-A322 VanDerWaalsContact O-N 3.15Å; I319-A322 CarbonylContact O-C 3.51Å; I319-A322 WeakPolarHBondContact O-CA 3.34Å; I319-A322 WeakPolarHBondContact O-CB 3.38Å; I319-A322 PolarHBondContact O-N 3.06Å; I319-A322 VanDerWaalsContact O-N 3.1Å; R320-A322 PolarHBondContact O-N 3.47Å; A322-I324 PolarHBondContact O-N 3.44Å; A322-F326 WeakPolarHBondContact O-CB 3.33Å; A322-F326 PolarHBondContact O-N 2.98Å; A322-L351 VanDerWaalsContact CA-CD2 3.48Å; A322-L351 HydrophobicContact CB-CD1 3.77Å; A322-L351 HydrophobicContact CB-CD2 4.18Å; A322-F380 HydrophobicContact CB-CE1 4.05Å; A322-L381 HydrophobicContact CB-CD2 3.88Å; A322-F385 HydrophobicContact CB-CD2 4.09Å; A322-F385 HydrophobicContact CB-CE2 3.27Å; A322-F385 HydrophobicContact CB-CZ 3.57Å
323E88Confident77.6Confident57 Ų5762.2 Ų62.227%0.26634%0.335SS..Hα-helixtrans-61.2-42.9175.1-65.9-179119.300113.3I319 R320 F326 N327 K377 L381I319-E323 WeakPolarHBondContact O-CG 3.46Å; I319-E323 PolarHBondContact O-N 3.03Å; R320-E323 WeakPolarHBondContact O-CB 3.36Å; R320-E323 PolarHBondContact O-N 3.27Å; R320-E323 VanDerWaalsContact O-N 3.13Å; E323-F326 PolarHBondContact O-N 3.15Å; E323-N327 WeakPolarHBondContact O-CB 3.43Å; E323-N327 VanDerWaalsContact O-CG 3.23Å; E323-N327 PolarHBondContact O-N 3.45Å; E323-N327 PolarHBondContact O-OD1 2.98Å; E323-K377 IonicContact OE1-NZ 3.44Å; E323-L381 HydrophobicContact CG-CD1 3.83Å; E323-L381 HydrophobicContact CG-CD2 4.23Å
324I84.4Confident78.2Confident75 Ų7563.8 Ų63.839%0.38534%0.339SS..Hα-helixtrans-63.3-51.8179.8-69.1166.1000110.2R320 Q321 A322 F326 N327 Y328R320-I324 HydrophobicContact CG-CD1 4.13Å; R320-I324 WeakPolarHBondContact O-CG1 3.36Å; R320-I324 PolarHBondContact O-N 3.05Å; Q321-I324 PolarHBondContact O-N 3.43Å; A322-I324 PolarHBondContact O-N 3.44Å; I324-F326 VanDerWaalsContact C-N 3.29Å; I324-F326 PolarHBondContact O-N 3.48Å; I324-N327 PolarHBondContact O-N 2.84Å; I324-Y328 WeakPolarHBondContact O-CB 3.38Å; I324-Y328 PolarHBondContact O-N 3.47Å
325E89.6Confident79Confident34 Ų3460.8 Ų60.816%0.15933%0.326CS..Hα-helixtrans-67.2-33.7-179.1-64.4-58.3164.400112Q321 Y328 L329 L347 K350 L351Q321-E325 HydrophobicContact CG-CG 4.4Å; Q321-E325 PolarHBondContact NE2-OE1 3.47Å; Q321-E325 WeakPolarHBondContact O-CG 3.42Å; Q321-E325 PolarHBondContact O-N 2.79Å; E325-Y328 PolarHBondContact O-N 3.29Å; E325-L329 WeakPolarHBondContact O-CG 3.37Å; E325-L329 PolarHBondContact O-N 3.11Å; E325-L347 HydrophobicContact CB-CD1 3.63Å; E325-K350 HydrophobicContact CG-CB 4.3Å; E325-K350 HydrophobicContact CG-CD 4.3Å; E325-K350 WeakPolarHBondContact OE2-CD 3.45Å; E325-K350 WeakPolarHBondContact OE2-CE 3.5Å; E325-K350 IonicContact OE2-NZ 2.75Å; E325-K350 PolarHBondContact OE2-NZ 3.44Å; E325-L351 HydrophobicContact CB-CD2 3.96Å; E325-L351 HydrophobicContact CB-CG 4.34Å; E325-L351 HydrophobicContact CG-CD2 3.74Å; E325-L351 HydrophobicContact CG-CG 4.45Å
326F92.8Very high79.7Confident0 Ų057.4 Ų57.40%030%0.303CS..Hα-helixtrans-63.2-50.8174.2-164.9-73000110.8A322 E323 I324 Y328 L329 S330 I339 L347 I375 K377 F380A322-F326 WeakPolarHBondContact O-CB 3.33Å; A322-F326 PolarHBondContact O-N 2.98Å; E323-F326 PolarHBondContact O-N 3.15Å; I324-F326 VanDerWaalsContact C-N 3.29Å; I324-F326 PolarHBondContact O-N 3.48Å; F326-Y328 VanDerWaalsContact C-N 3.3Å; F326-Y328 PolarHBondContact O-N 3.45Å; F326-L329 CarbonylContact O-C 3.55Å; F326-L329 PolarHBondContact O-N 2.94Å; F326-L329 VanDerWaalsContact O-N 3.11Å; F326-S330 PolarHBondContact O-N 3.38Å; F326-I339 HydrophobicContact CD1-CG2 3.87Å; F326-I339 HydrophobicContact CD2-CD1 4.39Å; F326-I339 HydrophobicContact CD2-CG2 4.4Å; F326-I339 HydrophobicContact CE1-CB 4.44Å; F326-I339 HydrophobicContact CE1-CG1 4.48Å; F326-I339 HydrophobicContact CE1-CG2 3.65Å; F326-I339 HydrophobicContact CE2-CD1 3.95Å; F326-I339 HydrophobicContact CE2-CG1 3.86Å; F326-I339 HydrophobicContact CE2-CG2 4.2Å; F326-I339 HydrophobicContact CG-CG2 4.23Å; F326-I339 HydrophobicContact CZ-CB 4.2Å; F326-I339 HydrophobicContact CZ-CD1 4.35Å; F326-I339 HydrophobicContact CZ-CG1 3.77Å; F326-I339 HydrophobicContact CZ-CG2 3.81Å; F326-L347 HydrophobicContact CB-CD1 4.45Å; F326-L347 HydrophobicContact CB-CD2 4.45Å; F326-L347 HydrophobicContact CD2-CD2 3.49Å; F326-L347 VanDerWaalsContact CD2-CD2 3.49Å; F326-L347 HydrophobicContact CE2-CD2 4.09Å; F326-L347 HydrophobicContact CG-CD2 4.34Å; F326-I375 HydrophobicContact CE2-CG2 4.42Å; F326-I375 WeakPolarHBondContact CZ-O 2.95Å; F326-K377 HydrophobicContact CD1-CB 3.81Å; F326-K377 HydrophobicContact CD1-CD 4.04Å; F326-K377 HydrophobicContact CD1-CG 3.86Å; F326-K377 HydrophobicContact CD2-CG 4.49Å; F326-K377 HydrophobicContact CE1-CB 3.46Å; F326-K377 VanDerWaalsContact CE1-CB 3.46Å; F326-K377 HydrophobicContact CE1-CD 4.48Å; F326-K377 HydrophobicContact CE1-CG 4.04Å; F326-K377 HydrophobicContact CE2-CB 4.33Å; F326-K377 HydrophobicContact CG-CB 4.39Å; F326-K377 HydrophobicContact CG-CG 4.11Å; F326-K377 HydrophobicContact CZ-CB 3.76Å; F326-K377 HydrophobicContact CZ-CG 4.46Å; F326-K377 VanDerWaalsContact CZ-N 3.3Å; F326-F380 HydrophobicContact CD2-CB 4.26Å; F326-F380 AromaticContact CD2-CD1 3.6Å; F326-F380 HydrophobicContact CD2-CD1 3.6Å; F326-F380 HydrophobicContact CD2-CE1 4.17Å; F326-F380 AromaticContact CD2-CG 3.97Å; F326-F380 HydrophobicContact CD2-CG 3.97Å; F326-F380 HydrophobicContact CE2-CB 3.77Å; F326-F380 HydrophobicContact CE2-CD1 4.01Å; F326-F380 AromaticContact CE2-CG 3.91Å; F326-F380 HydrophobicContact CE2-CG 3.91Å
327N88Confident80.8Confident60 Ų6053.5 Ų53.532%0.32129%0.29SS..Hα-helixtrans-61-39.1178.3-73.89.2000111.7E323 I324 L329 S330 Q333 G336 K377E323-N327 WeakPolarHBondContact O-CB 3.43Å; E323-N327 VanDerWaalsContact O-CG 3.23Å; E323-N327 PolarHBondContact O-N 3.45Å; E323-N327 PolarHBondContact O-OD1 2.98Å; I324-N327 PolarHBondContact O-N 2.84Å; N327-L329 VanDerWaalsContact C-N 3.25Å; N327-L329 PolarHBondContact O-N 3.4Å; N327-S330 WeakPolarHBondContact O-CB 3.02Å; N327-S330 PolarHBondContact O-N 3.3Å; N327-S330 VanDerWaalsContact O-N 3.1Å; N327-Q333 PolarHBondContact O-NE2 3.22Å; N327-G336 PolarHBondContact OD1-O 3.43Å; N327-K377 PolarHBondContact OD1-NZ 3.29Å
328Y87Confident82Confident154 Ų15455.4 Ų55.460%0.60430%0.295SS*.Hα-helixtrans-61.8-33.3176.6-176.6-91.7000112.9I324 E325 F326I324-Y328 WeakPolarHBondContact O-CB 3.38Å; I324-Y328 PolarHBondContact O-N 3.47Å; E325-Y328 PolarHBondContact O-N 3.29Å; F326-Y328 VanDerWaalsContact C-N 3.3Å; F326-Y328 PolarHBondContact O-N 3.45Å
329L90.6Very high82.7Confident13 Ų1353.8 Ų53.87%0.06828%0.278CS..Hα-helixtrans-87.5-9.5176.9-66.5174.2000113E325 F326 N327 I339 D343 K346 L347E325-L329 WeakPolarHBondContact O-CG 3.37Å; E325-L329 PolarHBondContact O-N 3.11Å; F326-L329 CarbonylContact O-C 3.55Å; F326-L329 PolarHBondContact O-N 2.94Å; F326-L329 VanDerWaalsContact O-N 3.11Å; N327-L329 VanDerWaalsContact C-N 3.25Å; N327-L329 PolarHBondContact O-N 3.4Å; L329-I339 HydrophobicContact CB-CG2 3.83Å; L329-D343 HydrophobicContact CB-CB 4.49Å; L329-D343 HydrophobicContact CD1-CB 4.48Å; L329-K346 HydrophobicContact CD2-CD 3.73Å; L329-K346 HydrophobicContact CD2-CG 4.36Å; L329-L347 HydrophobicContact CD1-CB 3.66Å; L329-L347 HydrophobicContact CD1-CD1 4.03Å; L329-L347 HydrophobicContact CD1-CG 4.4Å
330S89.7Confident83.2Confident3 Ų354.5 Ų54.52%0.02129%0.286CS..  trans-71.7131.6179.6-167.60000110.4F326 N327 D332 Q333 F338F326-S330 PolarHBondContact O-N 3.38Å; N327-S330 WeakPolarHBondContact O-CB 3.02Å; N327-S330 PolarHBondContact O-N 3.3Å; N327-S330 VanDerWaalsContact O-N 3.1Å; S330-D332 PolarHBondContact O-N 3.48Å; S330-D332 PolarHBondContact OG-N 3.01Å; S330-D332 PolarHBondContact OG-O 3.2Å; S330-Q333 PolarHBondContact O-NE2 3.44Å; S330-F338 WeakPolarHBondContact CA-O 3.41Å; S330-F338 VanDerWaalsContact CB-O 3.25Å; S330-F338 WeakPolarHBondContact CB-O 3.32Å; S330-F338 PolarHBondContact OG-O 3.3Å
331P82.8Confident83.9Confident95 Ų9554.9 Ų54.962%0.61729%0.291SS*.SBendtrans-68.1-22.717127.6-32.3000111.8F338P331-F338 HydrophobicContact CG-CD2 4.25Å; P331-F338 HydrophobicContact CG-CE2 3.5Å; P331-F338 VanDerWaalsContact CG-CE2 3.5Å; P331-F338 HydrophobicContact CG-CZ 3.91Å
332D79.2Confident84.4Confident49 Ų4956.2 Ų56.226%0.26231%0.308SS..  trans-96.296.2173.1-176.5-9.2000109.6S330 D334 T335 G336 F338S330-D332 PolarHBondContact O-N 3.48Å; S330-D332 PolarHBondContact OG-N 3.01Å; S330-D332 PolarHBondContact OG-O 3.2Å; D332-D334 PolarHBondContact O-N 3.38Å; D332-D334 WeakPolarHBondContact OD1-CB 3.06Å; D332-D334 PolarHBondContact OD1-N 2.55Å; D332-T335 PolarHBondContact OD1-N 3.18Å; D332-T335 PolarHBondContact OD2-OG1 3.01Å; D332-G336 VanDerWaalsContact O-CA 3.3Å; D332-G336 WeakPolarHBondContact O-CA 3.38Å; D332-G336 PolarHBondContact O-N 2.98Å; D332-F338 HydrophobicContact CB-CE1 4.05Å; D332-F338 HydrophobicContact CB-CZ 4.4Å
333Q68Low84.6Confident134 Ų13458.4 Ų58.463%0.62632%0.319SS*.THydrogen-bonded Turntrans-72.8-15.9178.4-65.7-69.6-46.800112.9N327 S330N327-Q333 PolarHBondContact O-NE2 3.22Å; S330-Q333 PolarHBondContact O-NE2 3.44Å
334D56.1Low84.9Confident159 Ų15955.7 Ų55.785%0.8531%0.307SS*.THydrogen-bonded Turntrans-84.7-37.6-177.8-67.9-29.7000111.4D332D332-D334 PolarHBondContact O-N 3.38Å; D332-D334 WeakPolarHBondContact OD1-CB 3.06Å; D332-D334 PolarHBondContact OD1-N 2.55Å
335T64.4Low85.4Confident95 Ų9557.9 Ų57.958%0.58332%0.315SS*.THydrogen-bonded Turntrans-107.9-26179.474.50000114.3D332 G337D332-T335 PolarHBondContact OD1-N 3.18Å; D332-T335 PolarHBondContact OD2-OG1 3.01Å; T335-G337 PolarHBondContact O-N 2.97Å; T335-G337 VanDerWaalsContact O-N 3.11Å; T335-G337 PolarHBondContact OG1-N 3.24Å
336G68.5Low85.5Confident1 Ų161.1 Ų61.11%0.0133%0.329CS..  trans57.721.7-176.400000113.9N327 D332 F338 K377N327-G336 PolarHBondContact OD1-O 3.43Å; D332-G336 VanDerWaalsContact O-CA 3.3Å; D332-G336 WeakPolarHBondContact O-CA 3.38Å; D332-G336 PolarHBondContact O-N 2.98Å; G336-F338 PolarHBondContact O-N 2.99Å; G336-K377 WeakPolarHBondContact O-CD 3.39Å
337G84.8Confident85.6Confident28 Ų2861.1 Ų61.129%0.28933%0.329SS..  trans-76-21.9-164.300000115T335 K377T335-G337 PolarHBondContact O-N 2.97Å; T335-G337 VanDerWaalsContact O-N 3.11Å; T335-G337 PolarHBondContact OG1-N 3.24Å; G337-K377 PolarHBondContact O-N 3.28Å
338F93.4Very high85.8Confident63 Ų6358.6 Ų58.628%0.27632%0.315SS..EExtended strand (participates in β ladder)trans-151.7160-175.266.2-84.2000112.7S330 P331 D332 G336 I374 I375 L376S330-F338 WeakPolarHBondContact CA-O 3.41Å; S330-F338 VanDerWaalsContact CB-O 3.25Å; S330-F338 WeakPolarHBondContact CB-O 3.32Å; S330-F338 PolarHBondContact OG-O 3.3Å; P331-F338 HydrophobicContact CG-CD2 4.25Å; P331-F338 HydrophobicContact CG-CE2 3.5Å; P331-F338 VanDerWaalsContact CG-CE2 3.5Å; P331-F338 HydrophobicContact CG-CZ 3.91Å; D332-F338 HydrophobicContact CB-CE1 4.05Å; D332-F338 HydrophobicContact CB-CZ 4.4Å; G336-F338 PolarHBondContact O-N 2.99Å; F338-I374 HydrophobicContact CD2-CB 4.3Å; F338-I374 HydrophobicContact CD2-CG2 3.95Å; F338-I374 HydrophobicContact CE2-CG2 4.42Å; F338-I375 CarbonylContact C-O 3.52Å; F338-I375 VanDerWaalsContact CA-O 3.22Å; F338-I375 WeakPolarHBondContact CA-O 3.43Å; F338-I375 WeakPolarHBondContact CB-O 3.31Å; F338-L376 HydrophobicContact CB-CD2 3.98Å
339I94.8Very high86Confident0 Ų056.2 Ų56.20%032%0.317CS..EExtended strand (participates in β ladder)trans-124.5160.416760.5172.5000109.6F326 L329 L347 I374 I375F326-I339 HydrophobicContact CD1-CG2 3.87Å; F326-I339 HydrophobicContact CD2-CD1 4.39Å; F326-I339 HydrophobicContact CD2-CG2 4.4Å; F326-I339 HydrophobicContact CE1-CB 4.44Å; F326-I339 HydrophobicContact CE1-CG1 4.48Å; F326-I339 HydrophobicContact CE1-CG2 3.65Å; F326-I339 HydrophobicContact CE2-CD1 3.95Å; F326-I339 HydrophobicContact CE2-CG1 3.86Å; F326-I339 HydrophobicContact CE2-CG2 4.2Å; F326-I339 HydrophobicContact CG-CG2 4.23Å; F326-I339 HydrophobicContact CZ-CB 4.2Å; F326-I339 HydrophobicContact CZ-CD1 4.35Å; F326-I339 HydrophobicContact CZ-CG1 3.77Å; F326-I339 HydrophobicContact CZ-CG2 3.81Å; L329-I339 HydrophobicContact CB-CG2 3.83Å; I339-L347 HydrophobicContact CD1-CB 4.36Å; I339-L347 HydrophobicContact CD1-CD2 3.71Å; I339-I374 CarbonylContact O-C 3.57Å; I339-I374 VanDerWaalsContact O-CA 3.3Å; I339-I374 WeakPolarHBondContact O-CA 3.37Å; I339-I375 HydrophobicContact CG1-CB 4.02Å; I339-I375 PolarHBondContact N-O 3.46Å; I339-I375 PolarHBondContact O-N 3.41Å
340S94.6Very high85.9Confident40 Ų4059.2 Ų59.228%0.2833%0.329SS..EExtended strand (participates in β ladder)trans-66.9142166.71770000110.1S342 D343S340-S342 WeakPolarHBondContact CB-OG 3.38Å; S340-S342 PolarHBondContact O-N 3.41Å; S340-S342 VanDerWaalsContact O-N 3.08Å; S340-S342 PolarHBondContact OG-N 2.94Å; S340-S342 PolarHBondContact OG-OG 3.41Å; S340-D343 PolarHBondContact O-N 2.7Å
341S93.6Very high85.9Confident25 Ų2559 Ų5918%0.17533%0.328CS..G310 helixtrans-57.4-24.3173.2-63.30000112.5D343 F344 G373 I374S341-D343 VanDerWaalsContact C-N 3.29Å; S341-D343 PolarHBondContact O-N 3.47Å; S341-F344 VanDerWaalsContact O-CB 3.32Å; S341-F344 WeakPolarHBondContact O-CB 3.4Å; S341-F344 PolarHBondContact O-N 3.04Å; S341-G373 PolarHBondContact N-O 3.48Å; S341-G373 PolarHBondContact OG-O 2.92Å; S341-I374 PolarHBondContact OG-N 3.46Å
342S92.8Very high86.2Confident96 Ų9662.6 Ų62.667%0.67133%0.329SS*.G310 helixtrans-67.1-25.317360.50000114.1S340S340-S342 WeakPolarHBondContact CB-OG 3.38Å; S340-S342 PolarHBondContact O-N 3.41Å; S340-S342 VanDerWaalsContact O-N 3.08Å; S340-S342 PolarHBondContact OG-N 2.94Å; S340-S342 PolarHBondContact OG-OG 3.41Å
343D94.2Very high86.6Confident45 Ų4561.3 Ų61.324%0.24132%0.322CS..G310 helixtrans-89.9-5.7179.1-70.3-60.1000112.7L329 S340 S341 E345 K346 L347L329-D343 HydrophobicContact CB-CB 4.49Å; L329-D343 HydrophobicContact CD1-CB 4.48Å; S340-D343 PolarHBondContact O-N 2.7Å; S341-D343 VanDerWaalsContact C-N 3.29Å; S341-D343 PolarHBondContact O-N 3.47Å; D343-E345 PolarHBondContact O-N 2.89Å; D343-K346 WeakPolarHBondContact O-CB 3.39Å; D343-K346 PolarHBondContact O-N 3.05Å; D343-L347 PolarHBondContact O-N 3.21Å
344F94.6Very high87.2Confident0 Ų059.6 Ų59.60%033%0.325CS..Hα-helixtrans-60.6-45.2-176-175.4-124.1000113.1S341 K346 L347 L348 V360 L363 V364 L367 I375 F380 F384S341-F344 VanDerWaalsContact O-CB 3.32Å; S341-F344 WeakPolarHBondContact O-CB 3.4Å; S341-F344 PolarHBondContact O-N 3.04Å; F344-K346 VanDerWaalsContact C-N 3.3Å; F344-K346 PolarHBondContact O-N 3.39Å; F344-L347 WeakPolarHBondContact O-CB 3.26Å; F344-L347 PolarHBondContact O-N 3.15Å; F344-L347 VanDerWaalsContact O-N 3.17Å; F344-L348 HydrophobicContact CD1-CD1 4.11Å; F344-L348 HydrophobicContact CE1-CD1 3.67Å; F344-L348 HydrophobicContact CE1-CG 4.33Å; F344-L348 HydrophobicContact CE2-CD1 4.39Å; F344-L348 HydrophobicContact CE2-CD2 4.19Å; F344-L348 HydrophobicContact CE2-CG 4.19Å; F344-L348 HydrophobicContact CZ-CD1 3.83Å; F344-L348 HydrophobicContact CZ-CD2 4.09Å; F344-L348 HydrophobicContact CZ-CG 4.09Å; F344-L348 WeakPolarHBondContact O-CG 3.3Å; F344-L348 PolarHBondContact O-N 3.19Å; F344-V360 HydrophobicContact CD1-CG1 3.87Å; F344-V360 HydrophobicContact CE1-CG1 4.29Å; F344-L363 HydrophobicContact CE1-CB 3.84Å; F344-L363 HydrophobicContact CZ-CB 4.23Å; F344-V364 HydrophobicContact CB-CG2 4.39Å; F344-V364 HydrophobicContact CD1-CG2 3.5Å; F344-V364 HydrophobicContact CE1-CG2 4.11Å; F344-V364 HydrophobicContact CG-CG2 4.21Å; F344-L367 HydrophobicContact CE1-CD1 4.39Å; F344-L367 HydrophobicContact CE2-CD1 3.61Å; F344-L367 HydrophobicContact CZ-CD1 3.52Å; F344-I375 HydrophobicContact CB-CD1 3.64Å; F344-I375 HydrophobicContact CD1-CD1 4.07Å; F344-I375 HydrophobicContact CD2-CD1 3.32Å; F344-I375 HydrophobicContact CE2-CD1 3.95Å; F344-I375 HydrophobicContact CG-CD1 3.39Å; F344-F380 AromaticContact CE2-CD2 3.83Å; F344-F380 HydrophobicContact CE2-CD2 3.83Å; F344-F380 AromaticContact CE2-CE2 3.97Å; F344-F380 HydrophobicContact CE2-CE2 3.97Å; F344-F384 HydrophobicContact CE2-CE2 4.12Å; F344-F384 AromaticContact CZ-CE2 3.94Å; F344-F384 HydrophobicContact CZ-CE2 3.94Å; F344-F384 HydrophobicContact CZ-CZ 4.14Å
345E93Very high88.3Confident121 Ų12154.1 Ų54.157%0.56530%0.297SS*.Hα-helixtrans-66.4-35.1180-165.6170.1-161.600111.9D343 L348 T349 V360D343-E345 PolarHBondContact O-N 2.89Å; E345-L348 PolarHBondContact O-N 3.01Å; E345-T349 WeakPolarHBondContact O-CB 3.45Å; E345-T349 PolarHBondContact O-N 3.43Å; E345-T349 PolarHBondContact O-OG1 2.98Å; E345-V360 HydrophobicContact CB-CG1 4.37Å; E345-V360 HydrophobicContact CG-CG2 4.47Å
346K93.3Very high89.1Confident102 Ų10252.4 Ų52.444%0.44330%0.299SS..Hα-helixtrans-64.6-42.4173-176.6-179.1176.8-168.90111L329 D343 F344 T349 K350L329-K346 HydrophobicContact CD2-CD 3.73Å; L329-K346 HydrophobicContact CD2-CG 4.36Å; D343-K346 WeakPolarHBondContact O-CB 3.39Å; D343-K346 PolarHBondContact O-N 3.05Å; F344-K346 VanDerWaalsContact C-N 3.3Å; F344-K346 PolarHBondContact O-N 3.39Å; K346-T349 PolarHBondContact O-N 3.14Å; K346-K350 WeakPolarHBondContact O-CG 3.28Å; K346-K350 PolarHBondContact O-N 2.9Å
347L94Very high89.6Confident0 Ų058.4 Ų58.40%034%0.341CS..Hα-helixtrans-60.8-50.4175.5-179.761.3000111.5E325 F326 L329 I339 D343 F344 T349 K350 L351 F380E325-L347 HydrophobicContact CB-CD1 3.63Å; F326-L347 HydrophobicContact CB-CD1 4.45Å; F326-L347 HydrophobicContact CB-CD2 4.45Å; F326-L347 HydrophobicContact CD2-CD2 3.49Å; F326-L347 VanDerWaalsContact CD2-CD2 3.49Å; F326-L347 HydrophobicContact CE2-CD2 4.09Å; F326-L347 HydrophobicContact CG-CD2 4.34Å; L329-L347 HydrophobicContact CD1-CB 3.66Å; L329-L347 HydrophobicContact CD1-CD1 4.03Å; L329-L347 HydrophobicContact CD1-CG 4.4Å; I339-L347 HydrophobicContact CD1-CB 4.36Å; I339-L347 HydrophobicContact CD1-CD2 3.71Å; D343-L347 PolarHBondContact O-N 3.21Å; F344-L347 WeakPolarHBondContact O-CB 3.26Å; F344-L347 PolarHBondContact O-N 3.15Å; F344-L347 VanDerWaalsContact O-N 3.17Å; L347-T349 VanDerWaalsContact C-N 3.28Å; L347-T349 PolarHBondContact O-N 3.37Å; L347-K350 PolarHBondContact O-N 3.23Å; L347-L351 HydrophobicContact CD1-CD1 3.57Å; L347-L351 HydrophobicContact CD1-CG 4.04Å; L347-L351 HydrophobicContact CG-CD1 3.83Å; L347-L351 WeakPolarHBondContact O-CG 3.49Å; L347-L351 PolarHBondContact O-N 3.42Å; L347-F380 HydrophobicContact CD2-CD1 4.23Å; L347-F380 HydrophobicContact CD2-CD2 4.11Å; L347-F380 HydrophobicContact CD2-CE1 3.87Å; L347-F380 HydrophobicContact CD2-CE2 3.74Å; L347-F380 HydrophobicContact CD2-CG 4.35Å; L347-F380 HydrophobicContact CD2-CZ 3.62Å; L347-F380 HydrophobicContact CG-CE2 4.39Å; L347-F380 HydrophobicContact CG-CZ 4.09Å
348L92.6Very high89.4Confident8 Ų860.8 Ų60.84%0.04234%0.344CS..Hα-helixtrans-57.3-43178.3-68.8177000111.8F344 E345 L351 R352 L353 T355 F380 F384F344-L348 HydrophobicContact CD1-CD1 4.11Å; F344-L348 HydrophobicContact CE1-CD1 3.67Å; F344-L348 HydrophobicContact CE1-CG 4.33Å; F344-L348 HydrophobicContact CE2-CD1 4.39Å; F344-L348 HydrophobicContact CE2-CD2 4.19Å; F344-L348 HydrophobicContact CE2-CG 4.19Å; F344-L348 HydrophobicContact CZ-CD1 3.83Å; F344-L348 HydrophobicContact CZ-CD2 4.09Å; F344-L348 HydrophobicContact CZ-CG 4.09Å; F344-L348 WeakPolarHBondContact O-CG 3.3Å; F344-L348 PolarHBondContact O-N 3.19Å; E345-L348 PolarHBondContact O-N 3.01Å; L348-L351 CarbonylContact O-C 3.59Å; L348-L351 PolarHBondContact O-N 2.87Å; L348-R352 PolarHBondContact O-N 3.43Å; L348-L353 HydrophobicContact CD2-CB 3.84Å; L348-L353 HydrophobicContact CD2-CD1 4.22Å; L348-L353 PolarHBondContact O-N 3.38Å; L348-T355 HydrophobicContact CD1-CG2 3.69Å; L348-F380 HydrophobicContact CD2-CE2 4.37Å; L348-F384 HydrophobicContact CD2-CE1 3.96Å; L348-F384 HydrophobicContact CD2-CE2 3.97Å; L348-F384 HydrophobicContact CD2-CZ 3.52Å
349T90.8Very high89Confident103 Ų10364.3 Ų64.363%0.63236%0.362SS*.Hα-helixtrans-61.8-47.3178.4-59.60000111.4E345 K346 L347 L351 R352E345-T349 WeakPolarHBondContact O-CB 3.45Å; E345-T349 PolarHBondContact O-N 3.43Å; E345-T349 PolarHBondContact O-OG1 2.98Å; K346-T349 PolarHBondContact O-N 3.14Å; L347-T349 VanDerWaalsContact C-N 3.28Å; L347-T349 PolarHBondContact O-N 3.37Å; T349-L351 VanDerWaalsContact C-N 3.3Å; T349-L351 PolarHBondContact O-N 3.27Å; T349-R352 PolarHBondContact O-N 3.36Å
350K89.7Confident88.7Confident76 Ų7666 Ų6633%0.3337%0.372SS..Hα-helixtrans-62-38.7178.3-77-163.3175.5-172.50112.5E325 K346 L347 R352E325-K350 HydrophobicContact CG-CB 4.3Å; E325-K350 HydrophobicContact CG-CD 4.3Å; E325-K350 WeakPolarHBondContact OE2-CD 3.45Å; E325-K350 WeakPolarHBondContact OE2-CE 3.5Å; E325-K350 IonicContact OE2-NZ 2.75Å; E325-K350 PolarHBondContact OE2-NZ 3.44Å; K346-K350 WeakPolarHBondContact O-CG 3.28Å; K346-K350 PolarHBondContact O-N 2.9Å; L347-K350 PolarHBondContact O-N 3.23Å; K350-R352 VanDerWaalsContact C-N 3.31Å
351L89.4Confident88.4Confident0 Ų069.5 Ų69.50%039%0.388CS..Hα-helixtrans-84.9-4.2-179.5-62.7175.6000114.1S317 Q321 A322 E325 L347 L348 T349 L353 F380S317-L351 VanDerWaalsContact CB-O 3.31Å; S317-L351 WeakPolarHBondContact CB-O 3.43Å; S317-L351 PolarHBondContact OG-O 2.92Å; S317-L351 VanDerWaalsContact OG-O 3.14Å; Q321-L351 HydrophobicContact CB-CD2 4.39Å; Q321-L351 HydrophobicContact CG-CD2 3.96Å; Q321-L351 WeakPolarHBondContact O-CD2 3.41Å; A322-L351 VanDerWaalsContact CA-CD2 3.48Å; A322-L351 HydrophobicContact CB-CD1 3.77Å; A322-L351 HydrophobicContact CB-CD2 4.18Å; E325-L351 HydrophobicContact CB-CD2 3.96Å; E325-L351 HydrophobicContact CB-CG 4.34Å; E325-L351 HydrophobicContact CG-CD2 3.74Å; E325-L351 HydrophobicContact CG-CG 4.45Å; L347-L351 HydrophobicContact CD1-CD1 3.57Å; L347-L351 HydrophobicContact CD1-CG 4.04Å; L347-L351 HydrophobicContact CG-CD1 3.83Å; L347-L351 WeakPolarHBondContact O-CG 3.49Å; L347-L351 PolarHBondContact O-N 3.42Å; L348-L351 CarbonylContact O-C 3.59Å; L348-L351 PolarHBondContact O-N 2.87Å; T349-L351 VanDerWaalsContact C-N 3.3Å; T349-L351 PolarHBondContact O-N 3.27Å; L351-L353 HydrophobicContact CB-CD1 3.74Å; L351-L353 HydrophobicContact CB-CG 3.75Å; L351-L353 HydrophobicContact CD1-CD1 3.71Å; L351-L353 HydrophobicContact CG-CD1 4.41Å; L351-L353 PolarHBondContact O-N 2.8Å; L351-L353 VanDerWaalsContact O-N 3.17Å; L351-F380 HydrophobicContact CD1-CE1 4.03Å; L351-F380 HydrophobicContact CD1-CZ 3.62Å
352R88Confident88.3Confident170 Ų17072.6 Ų72.664%0.64240%0.402SS*.THydrogen-bonded Turntrans52.134.9-174.7-53178.8-179.1-178-1112.1T313 L348 T349 K350T313-R352 PolarHBondContact O-NH1 3.15Å; L348-R352 PolarHBondContact O-N 3.43Å; T349-R352 PolarHBondContact O-N 3.36Å; K350-R352 VanDerWaalsContact C-N 3.31Å
353L87.1Confident88.2Confident22 Ų2268 Ų6812%0.11537%0.37CS..  trans-83.2130.1177.4-71.2169.5000109.2I316 L348 L351 F380 F384 F385I316-L353 HydrophobicContact CG2-CD2 3.62Å; L348-L353 HydrophobicContact CD2-CB 3.84Å; L348-L353 HydrophobicContact CD2-CD1 4.22Å; L348-L353 PolarHBondContact O-N 3.38Å; L351-L353 HydrophobicContact CB-CD1 3.74Å; L351-L353 HydrophobicContact CB-CG 3.75Å; L351-L353 HydrophobicContact CD1-CD1 3.71Å; L351-L353 HydrophobicContact CG-CD1 4.41Å; L351-L353 PolarHBondContact O-N 2.8Å; L351-L353 VanDerWaalsContact O-N 3.17Å; L353-F380 HydrophobicContact CD1-CE2 4.34Å; L353-F380 HydrophobicContact CD1-CZ 3.81Å; L353-F384 HydrophobicContact CB-CD1 4.32Å; L353-F384 HydrophobicContact CB-CE1 4.35Å; L353-F384 HydrophobicContact CD1-CB 4.15Å; L353-F384 HydrophobicContact CD1-CD1 3.97Å; L353-F384 HydrophobicContact CD1-CD2 4.49Å; L353-F384 HydrophobicContact CD1-CG 3.95Å; L353-F384 HydrophobicContact CD2-CD1 4.21Å; L353-F384 HydrophobicContact CG-CD1 4.4Å; L353-F385 HydrophobicContact CD1-CE2 4.17Å; L353-F385 HydrophobicContact CD1-CZ 4.06Å; L353-F385 HydrophobicContact CD2-CZ 4.01Å
354S80.8Confident88.2Confident97 Ų9767 Ų6768%0.67837%0.366SS*.  trans-86.5139.9175.3105.70000110.2G356S354-G356 PolarHBondContact O-N 2.57Å; S354-G356 PolarHBondContact OG-N 3.1Å; S354-G356 VanDerWaalsContact OG-N 3.16Å
355T80.7Confident88.1Confident44 Ų4471.6 Ų71.627%0.2739%0.393SS..  trans-793.1170.961.90000113L348 S357 Q358 V360 L363L348-T355 HydrophobicContact CD1-CG2 3.69Å; T355-S357 PolarHBondContact O-N 3.39Å; T355-Q358 WeakPolarHBondContact CB-O 3.49Å; T355-Q358 PolarHBondContact O-N 3.24Å; T355-Q358 VanDerWaalsContact O-N 3.09Å; T355-Q358 PolarHBondContact OG1-O 3.18Å; T355-V360 HydrophobicContact CG2-CG2 4.27Å; T355-L363 HydrophobicContact CG2-CD1 3.41Å; T355-L363 VanDerWaalsContact CG2-CD1 3.41Å
356G81.1Confident88.1Confident60 Ų6071.8 Ų71.862%0.61939%0.393SS*.THydrogen-bonded Turntrans60.4-122.1-172.600000110.9S354S354-G356 PolarHBondContact O-N 2.57Å; S354-G356 PolarHBondContact OG-N 3.1Å; S354-G356 VanDerWaalsContact OG-N 3.16Å
357S77.6Confident88.2Confident127 Ų12767.5 Ų67.589%0.88837%0.374SS*.THydrogen-bonded Turntrans-94.8-3.4176.155.60000114.1T355T355-S357 PolarHBondContact O-N 3.39Å
358Q80.9Confident88.2Confident77 Ų7768.1 Ų68.136%0.3638%0.377SS..SBendtrans-85.5142.7-175.5-58.4-164.9-55.300111.1T355 L363T355-Q358 WeakPolarHBondContact CB-O 3.49Å; T355-Q358 PolarHBondContact O-N 3.24Å; T355-Q358 VanDerWaalsContact O-N 3.09Å; T355-Q358 PolarHBondContact OG1-O 3.18Å; Q358-L363 HydrophobicContact CB-CD1 4.45Å; Q358-L363 HydrophobicContact CB-CG 4.13Å
359Q85.7Confident88.2Confident138 Ų13872.9 Ų72.965%0.64541%0.409SS*.  trans-72.9151.3169.2-63.1-157.630.700109.9N361 D362 L363Q359-N361 PolarHBondContact O-N 3.06Å; Q359-D362 PolarHBondContact N-OD2 3.27Å; Q359-D362 WeakPolarHBondContact O-CB 3.5Å; Q359-D362 PolarHBondContact O-N 2.66Å; Q359-L363 PolarHBondContact O-N 3.33Å
360V87.7Confident88.3Confident35 Ų3575.4 Ų75.421%0.21241%0.413CS..Hα-helixtrans-54.6-41.5178.9177.80000110.9F344 E345 T355 D362 L363 V364F344-V360 HydrophobicContact CD1-CG1 3.87Å; F344-V360 HydrophobicContact CE1-CG1 4.29Å; E345-V360 HydrophobicContact CB-CG1 4.37Å; E345-V360 HydrophobicContact CG-CG2 4.47Å; T355-V360 HydrophobicContact CG2-CG2 4.27Å; V360-D362 VanDerWaalsContact C-N 3.32Å; V360-D362 PolarHBondContact O-N 2.84Å; V360-L363 WeakPolarHBondContact O-CB 3.26Å; V360-L363 PolarHBondContact O-N 3.47Å; V360-V364 HydrophobicContact CG1-CG2 4.39Å; V360-V364 WeakPolarHBondContact O-CG2 3.29Å; V360-V364 PolarHBondContact O-N 3.15Å
361N88.4Confident88.4Confident114 Ų11474.6 Ų74.661%0.6143%0.427SS*.Hα-helixtrans-62.9-35.1178.2-71.1-16.4000113.4Q359 L363 V364 T365Q359-N361 PolarHBondContact O-N 3.06Å; N361-L363 VanDerWaalsContact C-N 3.33Å; N361-V364 PolarHBondContact O-N 3.23Å; N361-T365 PolarHBondContact O-N 3.22Å; N361-T365 PolarHBondContact O-OG1 3.19Å
362D91.3Very high88.5Confident89 Ų8979.8 Ų79.848%0.47645%0.454SS..Hα-helixtrans-67.4-39.2177.6-58.7-33.1000110.5Q359 V360 T365 K366Q359-D362 PolarHBondContact N-OD2 3.27Å; Q359-D362 WeakPolarHBondContact O-CB 3.5Å; Q359-D362 PolarHBondContact O-N 2.66Å; V360-D362 VanDerWaalsContact C-N 3.32Å; V360-D362 PolarHBondContact O-N 2.84Å; D362-T365 PolarHBondContact O-N 3.36Å; D362-K366 WeakPolarHBondContact O-CB 3.32Å; D362-K366 PolarHBondContact O-N 3.06Å
363L92.3Very high88.8Confident1 Ų173.4 Ų73.41%0.00544%0.441CS..Hα-helixtrans-67.3-42.5175.4-75.4170.6000112.1F344 T355 Q358 Q359 V360 N361 T365 K366 L367 F383 F384F344-L363 HydrophobicContact CE1-CB 3.84Å; F344-L363 HydrophobicContact CZ-CB 4.23Å; T355-L363 HydrophobicContact CG2-CD1 3.41Å; T355-L363 VanDerWaalsContact CG2-CD1 3.41Å; Q358-L363 HydrophobicContact CB-CD1 4.45Å; Q358-L363 HydrophobicContact CB-CG 4.13Å; Q359-L363 PolarHBondContact O-N 3.33Å; V360-L363 WeakPolarHBondContact O-CB 3.26Å; V360-L363 PolarHBondContact O-N 3.47Å; N361-L363 VanDerWaalsContact C-N 3.33Å; L363-T365 VanDerWaalsContact C-N 3.32Å; L363-T365 PolarHBondContact O-N 3.32Å; L363-K366 WeakPolarHBondContact O-CB 3.46Å; L363-K366 PolarHBondContact O-N 3.15Å; L363-K366 VanDerWaalsContact O-N 3.13Å; L363-L367 WeakPolarHBondContact O-CB 3.3Å; L363-L367 WeakPolarHBondContact O-CG 3.28Å; L363-L367 PolarHBondContact O-N 3.36Å; L363-F383 HydrophobicContact CD2-CE1 3.5Å; L363-F383 VanDerWaalsContact CD2-CE1 3.5Å; L363-F383 HydrophobicContact CD2-CE2 4.18Å; L363-F383 HydrophobicContact CD2-CZ 3.29Å; L363-F384 HydrophobicContact CD1-CZ 4.44Å
364V93.5Very high89.2Confident24 Ų2474.9 Ų74.915%0.14545%0.449CS..Hα-helixtrans-58.1-48174.1172.40000109.9F344 V360 N361 K366 L367 D368 I375F344-V364 HydrophobicContact CB-CG2 4.39Å; F344-V364 HydrophobicContact CD1-CG2 3.5Å; F344-V364 HydrophobicContact CE1-CG2 4.11Å; F344-V364 HydrophobicContact CG-CG2 4.21Å; V360-V364 HydrophobicContact CG1-CG2 4.39Å; V360-V364 WeakPolarHBondContact O-CG2 3.29Å; V360-V364 PolarHBondContact O-N 3.15Å; N361-V364 PolarHBondContact O-N 3.23Å; V364-K366 PolarHBondContact O-N 3.47Å; V364-L367 PolarHBondContact O-N 3.42Å; V364-L367 VanDerWaalsContact O-N 3.15Å; V364-D368 WeakPolarHBondContact O-CB 3.35Å; V364-D368 PolarHBondContact O-N 2.94Å; V364-I375 HydrophobicContact CG2-CD1 4.4Å
365T92.8Very high89.8Confident95 Ų9570.3 Ų70.358%0.58342%0.416SS*.Hα-helixtrans-61.3-30178.7-45.50000112.2N361 D362 L363 D368 P369N361-T365 PolarHBondContact O-N 3.22Å; N361-T365 PolarHBondContact O-OG1 3.19Å; D362-T365 PolarHBondContact O-N 3.36Å; L363-T365 VanDerWaalsContact C-N 3.32Å; L363-T365 PolarHBondContact O-N 3.32Å; T365-D368 CarbonylContact O-C 3.57Å; T365-P369 WeakPolarHBondContact O-CA 3.28Å
366K93.6Very high90.5Very high126 Ų12671.9 Ų71.955%0.54842%0.423SS..Hα-helixtrans-78-35.5177.2-170.6172178.4176.60113.1D362 L363 V364 F383D362-K366 WeakPolarHBondContact O-CB 3.32Å; D362-K366 PolarHBondContact O-N 3.06Å; L363-K366 WeakPolarHBondContact O-CB 3.46Å; L363-K366 PolarHBondContact O-N 3.15Å; L363-K366 VanDerWaalsContact O-N 3.13Å; V364-K366 PolarHBondContact O-N 3.47Å; K366-F383 HydrophobicContact CD-CE2 3.83Å
367L94.4Very high91Very high11 Ų1170.8 Ų70.86%0.05840%0.401CS..Hα-helixtrans-85.3-20.2179.7-68.9172.8000113F344 L363 V364 I375 D379 F383 F384F344-L367 HydrophobicContact CE1-CD1 4.39Å; F344-L367 HydrophobicContact CE2-CD1 3.61Å; F344-L367 HydrophobicContact CZ-CD1 3.52Å; L363-L367 WeakPolarHBondContact O-CB 3.3Å; L363-L367 WeakPolarHBondContact O-CG 3.28Å; L363-L367 PolarHBondContact O-N 3.36Å; V364-L367 PolarHBondContact O-N 3.42Å; V364-L367 VanDerWaalsContact O-N 3.15Å; L367-I375 HydrophobicContact CB-CD1 4.38Å; L367-I375 HydrophobicContact CB-CG1 4.19Å; L367-I375 HydrophobicContact CB-CG2 4.14Å; L367-I375 HydrophobicContact CD1-CD1 4.25Å; L367-I375 HydrophobicContact CD1-CG2 4.19Å; L367-D379 HydrophobicContact CD2-CB 4.27Å; L367-F383 HydrophobicContact CD2-CB 3.9Å; L367-F383 HydrophobicContact CD2-CG 4.24Å; L367-F384 HydrophobicContact CD1-CE2 4.41Å
368D94.8Very high91.5Very high13 Ų1372.1 Ų72.17%0.0739%0.391CS..  trans-129.469.8175.9-178.914.1000109.6V364 T365 E370 G371 L372 G373 I374V364-D368 WeakPolarHBondContact O-CB 3.35Å; V364-D368 PolarHBondContact O-N 2.94Å; T365-D368 CarbonylContact O-C 3.57Å; D368-E370 PolarHBondContact O-N 3.28Å; D368-G371 PolarHBondContact O-N 2.95Å; D368-G371 VanDerWaalsContact O-N 3.13Å; D368-G371 PolarHBondContact OD1-N 2.88Å; D368-L372 PolarHBondContact OD1-N 3.42Å; D368-L372 PolarHBondContact OD2-N 3.38Å; D368-G373 WeakPolarHBondContact OD2-CA 3.42Å; D368-G373 PolarHBondContact OD2-N 3.12Å; D368-I374 WeakPolarHBondContact CB-O 3.37Å; D368-I374 VanDerWaalsContact CG-O 3.3Å; D368-I374 PolarHBondContact OD2-N 3.44Å
369P92Very high92.1Very high108 Ų10871.4 Ų71.470%0.70139%0.39SS*.THydrogen-bonded Turntrans-66.6-20.8-175.727.2-34.8000113T365T365-P369 WeakPolarHBondContact O-CA 3.28Å
370E92.3Very high92.5Very high156 Ų15664.9 Ų64.973%0.72936%0.359SS*.THydrogen-bonded Turntrans-85.7-12.8178.1-65.4-178.1-176.600112.5D368 L372D368-E370 PolarHBondContact O-N 3.28Å; E370-L372 HydrophobicContact CB-CD1 4.27Å; E370-L372 HydrophobicContact CB-CD2 4.45Å; E370-L372 HydrophobicContact CB-CG 3.88Å
371G91.5Very high92.7Very high60 Ų6063.5 Ų63.562%0.61935%0.35SS*.  trans68.434.7179.500000112.9D368 G373D368-G371 PolarHBondContact O-N 2.95Å; D368-G371 VanDerWaalsContact O-N 3.13Å; D368-G371 PolarHBondContact OD1-N 2.88Å; G371-G373 PolarHBondContact O-N 2.83Å
372L93.1Very high92.8Very high109 Ų10962 Ų6257%0.57134%0.34SS*.  trans-74.5-12.4-179.6-63.5178.3000112.9D368 E370 I374D368-L372 PolarHBondContact OD1-N 3.42Å; D368-L372 PolarHBondContact OD2-N 3.38Å; E370-L372 HydrophobicContact CB-CD1 4.27Å; E370-L372 HydrophobicContact CB-CD2 4.45Å; E370-L372 HydrophobicContact CB-CG 3.88Å; L372-I374 VanDerWaalsContact C-N 3.34Å; L372-I374 HydrophobicContact CB-CD1 4.47Å; L372-I374 HydrophobicContact CB-CG1 3.84Å; L372-I374 HydrophobicContact CD1-CD1 4.47Å
373G94.1Very high92.8Very high35 Ų3561 Ų6136%0.36133%0.331SS..SBendtrans80.116.4-174.800000113.3S341 D368 G371S341-G373 PolarHBondContact N-O 3.48Å; S341-G373 PolarHBondContact OG-O 2.92Å; D368-G373 WeakPolarHBondContact OD2-CA 3.42Å; D368-G373 PolarHBondContact OD2-N 3.12Å; G371-G373 PolarHBondContact O-N 2.83Å
374I94.1Very high92.7Very high54 Ų5462.6 Ų62.628%0.27734%0.338SS..EExtended strand (participates in β ladder)trans-130.8146.3-179.360169.3000111.1F338 I339 S341 D368 L372 L376F338-I374 HydrophobicContact CD2-CB 4.3Å; F338-I374 HydrophobicContact CD2-CG2 3.95Å; F338-I374 HydrophobicContact CE2-CG2 4.42Å; I339-I374 CarbonylContact O-C 3.57Å; I339-I374 VanDerWaalsContact O-CA 3.3Å; I339-I374 WeakPolarHBondContact O-CA 3.37Å; S341-I374 PolarHBondContact OG-N 3.46Å; D368-I374 WeakPolarHBondContact CB-O 3.37Å; D368-I374 VanDerWaalsContact CG-O 3.3Å; D368-I374 PolarHBondContact OD2-N 3.44Å; L372-I374 VanDerWaalsContact C-N 3.34Å; L372-I374 HydrophobicContact CB-CD1 4.47Å; L372-I374 HydrophobicContact CB-CG1 3.84Å; L372-I374 HydrophobicContact CD1-CD1 4.47Å; I374-L376 HydrophobicContact CD1-CD2 4.29Å
375I95Very high92.5Very high0 Ų061.8 Ų61.80%033%0.333CS..EExtended strand (participates in β ladder)trans-112.4127.4171.6-65.1174.9000107.5F326 F338 I339 F344 V364 L367 F380F326-I375 HydrophobicContact CE2-CG2 4.42Å; F326-I375 WeakPolarHBondContact CZ-O 2.95Å; F338-I375 CarbonylContact C-O 3.52Å; F338-I375 VanDerWaalsContact CA-O 3.22Å; F338-I375 WeakPolarHBondContact CA-O 3.43Å; F338-I375 WeakPolarHBondContact CB-O 3.31Å; I339-I375 HydrophobicContact CG1-CB 4.02Å; I339-I375 PolarHBondContact N-O 3.46Å; I339-I375 PolarHBondContact O-N 3.41Å; F344-I375 HydrophobicContact CB-CD1 3.64Å; F344-I375 HydrophobicContact CD1-CD1 4.07Å; F344-I375 HydrophobicContact CD2-CD1 3.32Å; F344-I375 HydrophobicContact CE2-CD1 3.95Å; F344-I375 HydrophobicContact CG-CD1 3.39Å; V364-I375 HydrophobicContact CG2-CD1 4.4Å; L367-I375 HydrophobicContact CB-CD1 4.38Å; L367-I375 HydrophobicContact CB-CG1 4.19Å; L367-I375 HydrophobicContact CB-CG2 4.14Å; L367-I375 HydrophobicContact CD1-CD1 4.25Å; L367-I375 HydrophobicContact CD1-CG2 4.19Å; I375-F380 HydrophobicContact CG2-CB 4.01Å
376L93.6Very high92.2Very high77 Ų7760.2 Ų60.240%0.40332%0.324SS..EExtended strand (participates in β ladder)trans-80.3142.3176.3-58.2-177.9000110.7F338 I374 K378 D379 F380F338-L376 HydrophobicContact CB-CD2 3.98Å; I374-L376 HydrophobicContact CD1-CD2 4.29Å; L376-K378 VanDerWaalsContact C-N 3.3Å; L376-K378 PolarHBondContact O-N 3.49Å; L376-D379 HydrophobicContact CB-CB 4.48Å; L376-D379 WeakPolarHBondContact CB-OD2 3.47Å; L376-D379 PolarHBondContact O-N 2.94Å; L376-F380 PolarHBondContact O-N 3.16Å
377K92.1Very high91.6Very high38 Ų3861 Ų6117%0.16533%0.33CS..Hα-helixtrans-56.3-46179-175.6172.4174.1175.40111.6E323 F326 N327 G336 G337 D379 F380 L381E323-K377 IonicContact OE1-NZ 3.44Å; F326-K377 HydrophobicContact CD1-CB 3.81Å; F326-K377 HydrophobicContact CD1-CD 4.04Å; F326-K377 HydrophobicContact CD1-CG 3.86Å; F326-K377 HydrophobicContact CD2-CG 4.49Å; F326-K377 HydrophobicContact CE1-CB 3.46Å; F326-K377 VanDerWaalsContact CE1-CB 3.46Å; F326-K377 HydrophobicContact CE1-CD 4.48Å; F326-K377 HydrophobicContact CE1-CG 4.04Å; F326-K377 HydrophobicContact CE2-CB 4.33Å; F326-K377 HydrophobicContact CG-CB 4.39Å; F326-K377 HydrophobicContact CG-CG 4.11Å; F326-K377 HydrophobicContact CZ-CB 3.76Å; F326-K377 HydrophobicContact CZ-CG 4.46Å; F326-K377 VanDerWaalsContact CZ-N 3.3Å; N327-K377 PolarHBondContact OD1-NZ 3.29Å; G336-K377 WeakPolarHBondContact O-CD 3.39Å; G337-K377 PolarHBondContact O-N 3.28Å; K377-D379 VanDerWaalsContact C-N 3.35Å; K377-D379 PolarHBondContact O-N 3.22Å; K377-F380 PolarHBondContact O-N 3.02Å; K377-L381 HydrophobicContact CD-CD1 4.48Å; K377-L381 HydrophobicContact CG-CD1 3.82Å; K377-L381 HydrophobicContact CG-CG 4.21Å; K377-L381 WeakPolarHBondContact O-CB 3.26Å; K377-L381 VanDerWaalsContact O-CG 3.26Å; K377-L381 WeakPolarHBondContact O-CG 3.34Å; K377-L381 PolarHBondContact O-N 3.48Å
378K89.4Confident90.8Very high154 Ų15463.7 Ų63.767%0.6734%0.342SS*.Hα-helixtrans-57.2-48.1-179.9-177.2-179.1177.1-1790111.5L376 L381 Q382L376-K378 VanDerWaalsContact C-N 3.3Å; L376-K378 PolarHBondContact O-N 3.49Å; K378-L381 PolarHBondContact O-N 2.95Å; K378-Q382 WeakPolarHBondContact O-CB 3.41Å; K378-Q382 PolarHBondContact O-N 3.09Å
379D92.5Very high90Very high63 Ų6364.4 Ų64.434%0.33735%0.345SS..Hα-helixtrans-69.3-39.6-176.6-59.7-33.6000111.4L367 L376 K377 F383L367-D379 HydrophobicContact CD2-CB 4.27Å; L376-D379 HydrophobicContact CB-CB 4.48Å; L376-D379 WeakPolarHBondContact CB-OD2 3.47Å; L376-D379 PolarHBondContact O-N 2.94Å; K377-D379 VanDerWaalsContact C-N 3.35Å; K377-D379 PolarHBondContact O-N 3.22Å; D379-F383 WeakPolarHBondContact O-CB 3.42Å; D379-F383 PolarHBondContact O-N 3.43Å
380F94.6Very high89.1Confident0 Ų061.5 Ų61.50%033%0.33CS..Hα-helixtrans-58.3-52.2172.1171.5-101.4000112A322 F326 F344 L347 L348 L351 L353 I375 L376 K377 F383 F384 F385A322-F380 HydrophobicContact CB-CE1 4.05Å; F326-F380 HydrophobicContact CD2-CB 4.26Å; F326-F380 AromaticContact CD2-CD1 3.6Å; F326-F380 HydrophobicContact CD2-CD1 3.6Å; F326-F380 HydrophobicContact CD2-CE1 4.17Å; F326-F380 AromaticContact CD2-CG 3.97Å; F326-F380 HydrophobicContact CD2-CG 3.97Å; F326-F380 HydrophobicContact CE2-CB 3.77Å; F326-F380 HydrophobicContact CE2-CD1 4.01Å; F326-F380 AromaticContact CE2-CG 3.91Å; F326-F380 HydrophobicContact CE2-CG 3.91Å; F344-F380 AromaticContact CE2-CD2 3.83Å; F344-F380 HydrophobicContact CE2-CD2 3.83Å; F344-F380 AromaticContact CE2-CE2 3.97Å; F344-F380 HydrophobicContact CE2-CE2 3.97Å; L347-F380 HydrophobicContact CD2-CD1 4.23Å; L347-F380 HydrophobicContact CD2-CD2 4.11Å; L347-F380 HydrophobicContact CD2-CE1 3.87Å; L347-F380 HydrophobicContact CD2-CE2 3.74Å; L347-F380 HydrophobicContact CD2-CG 4.35Å; L347-F380 HydrophobicContact CD2-CZ 3.62Å; L347-F380 HydrophobicContact CG-CE2 4.39Å; L347-F380 HydrophobicContact CG-CZ 4.09Å; L348-F380 HydrophobicContact CD2-CE2 4.37Å; L351-F380 HydrophobicContact CD1-CE1 4.03Å; L351-F380 HydrophobicContact CD1-CZ 3.62Å; L353-F380 HydrophobicContact CD1-CE2 4.34Å; L353-F380 HydrophobicContact CD1-CZ 3.81Å; I375-F380 HydrophobicContact CG2-CB 4.01Å; L376-F380 PolarHBondContact O-N 3.16Å; K377-F380 PolarHBondContact O-N 3.02Å; F380-F383 PolarHBondContact O-N 2.9Å; F380-F384 AromaticContact CD2-CD2 3.51Å; F380-F384 HydrophobicContact CD2-CD2 3.51Å; F380-F384 AromaticContact CD2-CE2 3.73Å; F380-F384 HydrophobicContact CD2-CE2 3.73Å; F380-F384 AromaticContact CE2-CD2 3.27Å; F380-F384 HydrophobicContact CE2-CD2 3.27Å; F380-F384 AromaticContact CE2-CE2 3.52Å; F380-F384 HydrophobicContact CE2-CE2 3.52Å; F380-F384 HydrophobicContact CE2-CG 4.18Å; F380-F384 HydrophobicContact CG-CD2 4.38Å; F380-F384 AromaticContact CZ-CD2 3.97Å; F380-F384 HydrophobicContact CZ-CD2 3.97Å; F380-F384 WeakPolarHBondContact O-CD2 3.47Å; F380-F384 PolarHBondContact O-N 3.41Å; F380-F385 HydrophobicContact CE1-CE2 4.3Å; F380-F385 HydrophobicContact CZ-CE2 4.5Å
381L91.1Very high87.9Confident6 Ų661.1 Ų61.13%0.03133%0.326CS..Hα-helixtrans-66.2-41-178.5-64.2176.1000111.4I319 A322 E323 K377 K378 F383 F384 F385 M389I319-L381 HydrophobicContact CG1-CD2 3.99Å; A322-L381 HydrophobicContact CB-CD2 3.88Å; E323-L381 HydrophobicContact CG-CD1 3.83Å; E323-L381 HydrophobicContact CG-CD2 4.23Å; K377-L381 HydrophobicContact CD-CD1 4.48Å; K377-L381 HydrophobicContact CG-CD1 3.82Å; K377-L381 HydrophobicContact CG-CG 4.21Å; K377-L381 WeakPolarHBondContact O-CB 3.26Å; K377-L381 VanDerWaalsContact O-CG 3.26Å; K377-L381 WeakPolarHBondContact O-CG 3.34Å; K377-L381 PolarHBondContact O-N 3.48Å; K378-L381 PolarHBondContact O-N 2.95Å; L381-F383 PolarHBondContact O-N 2.79Å; L381-F384 PolarHBondContact O-N 2.99Å; L381-F385 HydrophobicContact CD2-CD2 3.99Å; L381-F385 HydrophobicContact CD2-CE2 4.38Å; L381-F385 CarbonylContact O-C 3.52Å; L381-F385 VanDerWaalsContact O-CA 3.3Å; L381-F385 WeakPolarHBondContact O-CA 3.32Å; L381-F385 WeakPolarHBondContact O-CB 3.37Å; L381-F385 PolarHBondContact O-N 3.17Å; L381-M389 HydrophobicContact CB-CG 4Å; L381-M389 HydrophobicContact CB-SD 3.57Å; L381-M389 VanDerWaalsContact CB-SD 3.57Å; L381-M389 HydrophobicContact CD1-SD 4.31Å
382Q90.2Very high86.4Confident84 Ų8464 Ų6439%0.39332%0.324SS..Hα-helixtrans-60.8-33.5176.7-175.860.867.800112.2K378 P386K378-Q382 WeakPolarHBondContact O-CB 3.41Å; K378-Q382 PolarHBondContact O-N 3.09Å; Q382-P386 WeakPolarHBondContact O-CB 3.42Å
383F91.4Very high84.4Confident66 Ų6663.5 Ų63.529%0.28933%0.325SS..Hα-helixtrans-76.7-47.5179.4-173.7-87.7000112.7L363 K366 L367 D379 F380 L381L363-F383 HydrophobicContact CD2-CE1 3.5Å; L363-F383 VanDerWaalsContact CD2-CE1 3.5Å; L363-F383 HydrophobicContact CD2-CE2 4.18Å; L363-F383 HydrophobicContact CD2-CZ 3.29Å; K366-F383 HydrophobicContact CD-CE2 3.83Å; L367-F383 HydrophobicContact CD2-CB 3.9Å; L367-F383 HydrophobicContact CD2-CG 4.24Å; D379-F383 WeakPolarHBondContact O-CB 3.42Å; D379-F383 PolarHBondContact O-N 3.43Å; F380-F383 PolarHBondContact O-N 2.9Å; L381-F383 PolarHBondContact O-N 2.79Å
384F91Very high82.2Confident36 Ų3664.6 Ų64.616%0.15833%0.331CS..Hα-helixtrans-91.9-21.1-173.6-73.6-77.8000114.4F344 L348 L353 L363 L367 F380 L381 P386F344-F384 HydrophobicContact CE2-CE2 4.12Å; F344-F384 AromaticContact CZ-CE2 3.94Å; F344-F384 HydrophobicContact CZ-CE2 3.94Å; F344-F384 HydrophobicContact CZ-CZ 4.14Å; L348-F384 HydrophobicContact CD2-CE1 3.96Å; L348-F384 HydrophobicContact CD2-CE2 3.97Å; L348-F384 HydrophobicContact CD2-CZ 3.52Å; L353-F384 HydrophobicContact CB-CD1 4.32Å; L353-F384 HydrophobicContact CB-CE1 4.35Å; L353-F384 HydrophobicContact CD1-CB 4.15Å; L353-F384 HydrophobicContact CD1-CD1 3.97Å; L353-F384 HydrophobicContact CD1-CD2 4.49Å; L353-F384 HydrophobicContact CD1-CG 3.95Å; L353-F384 HydrophobicContact CD2-CD1 4.21Å; L353-F384 HydrophobicContact CG-CD1 4.4Å; L363-F384 HydrophobicContact CD1-CZ 4.44Å; L367-F384 HydrophobicContact CD1-CE2 4.41Å; F380-F384 AromaticContact CD2-CD2 3.51Å; F380-F384 HydrophobicContact CD2-CD2 3.51Å; F380-F384 AromaticContact CD2-CE2 3.73Å; F380-F384 HydrophobicContact CD2-CE2 3.73Å; F380-F384 AromaticContact CE2-CD2 3.27Å; F380-F384 HydrophobicContact CE2-CD2 3.27Å; F380-F384 AromaticContact CE2-CE2 3.52Å; F380-F384 HydrophobicContact CE2-CE2 3.52Å; F380-F384 HydrophobicContact CE2-CG 4.18Å; F380-F384 HydrophobicContact CG-CD2 4.38Å; F380-F384 AromaticContact CZ-CD2 3.97Å; F380-F384 HydrophobicContact CZ-CD2 3.97Å; F380-F384 WeakPolarHBondContact O-CD2 3.47Å; F380-F384 PolarHBondContact O-N 3.41Å; L381-F384 PolarHBondContact O-N 2.99Å; F384-P386 VanDerWaalsContact C-CD 3.42Å
385F89.3Confident80.3Confident7 Ų770.6 Ų70.63%0.03136%0.357CS..  trans-132.652.9-176.9-54.2-80.1000111.6S317 I319 A322 L353 F380 L381 E387 E388 M389S317-F385 WeakPolarHBondContact O-CE1 3.48Å; S317-F385 WeakPolarHBondContact O-CZ 3.27Å; I319-F385 HydrophobicContact CB-CB 4.16Å; I319-F385 HydrophobicContact CB-CD1 4.12Å; I319-F385 HydrophobicContact CB-CG 4.02Å; I319-F385 HydrophobicContact CD1-CB 4Å; I319-F385 HydrophobicContact CG1-CB 3.96Å; I319-F385 HydrophobicContact CG1-CD2 4.3Å; I319-F385 HydrophobicContact CG1-CG 4.04Å; A322-F385 HydrophobicContact CB-CD2 4.09Å; A322-F385 HydrophobicContact CB-CE2 3.27Å; A322-F385 HydrophobicContact CB-CZ 3.57Å; L353-F385 HydrophobicContact CD1-CE2 4.17Å; L353-F385 HydrophobicContact CD1-CZ 4.06Å; L353-F385 HydrophobicContact CD2-CZ 4.01Å; F380-F385 HydrophobicContact CE1-CE2 4.3Å; F380-F385 HydrophobicContact CZ-CE2 4.5Å; L381-F385 HydrophobicContact CD2-CD2 3.99Å; L381-F385 HydrophobicContact CD2-CE2 4.38Å; L381-F385 CarbonylContact O-C 3.52Å; L381-F385 VanDerWaalsContact O-CA 3.3Å; L381-F385 WeakPolarHBondContact O-CA 3.32Å; L381-F385 WeakPolarHBondContact O-CB 3.37Å; L381-F385 PolarHBondContact O-N 3.17Å; F385-E387 VanDerWaalsContact C-N 3.31Å; F385-E387 PolarHBondContact O-N 3.31Å; F385-E388 HydrophobicContact CB-CB 4.3Å; F385-E388 PolarHBondContact O-N 2.77Å; F385-M389 WeakPolarHBondContact O-CB 3.43Å; F385-M389 VanDerWaalsContact O-CG 3.3Å; F385-M389 WeakPolarHBondContact O-CG 3.44Å; F385-M389 PolarHBondContact O-N 3.25Å
386P87Confident78.5Confident62 Ų6273.9 Ų73.940%0.40338%0.378SS..Hα-helixtrans-64.8-33.4-172.126.5-35.1000112.9Q382 F384 A390Q382-P386 WeakPolarHBondContact O-CB 3.42Å; F384-P386 VanDerWaalsContact C-CD 3.42Å; P386-A390 VanDerWaalsContact O-CB 3.22Å; P386-A390 WeakPolarHBondContact O-CB 3.32Å; P386-A390 PolarHBondContact O-N 3.38Å
387E80Confident77.5Confident143 Ų14372.7 Ų72.767%0.66837%0.371SS*.Hα-helixtrans-71.3-42.9180-65.9-174-172.700111.7F385 A390 K391F385-E387 VanDerWaalsContact C-N 3.31Å; F385-E387 PolarHBondContact O-N 3.31Å; E387-A390 PolarHBondContact O-N 3.49Å; E387-K391 WeakPolarHBondContact O-CG 3.09Å; E387-K391 PolarHBondContact O-N 2.95Å; E387-K391 VanDerWaalsContact O-N 3.14Å
388E77.7Confident77.3Confident66 Ų6673.9 Ų73.931%0.30838%0.384SS..Hα-helixtrans-65.7-42.6174.6-6590.3157.700110.9I319 F385 A390 K391 H392I319-E388 HydrophobicContact CB-CB 4.08Å; I319-E388 HydrophobicContact CB-CG 4.22Å; I319-E388 HydrophobicContact CD1-CB 3.68Å; I319-E388 HydrophobicContact CG1-CB 4.43Å; I319-E388 HydrophobicContact CG2-CB 4.05Å; I319-E388 HydrophobicContact CG2-CG 4.11Å; F385-E388 HydrophobicContact CB-CB 4.3Å; F385-E388 PolarHBondContact O-N 2.77Å; E388-A390 VanDerWaalsContact C-N 3.35Å; E388-A390 PolarHBondContact O-N 2.93Å; E388-K391 WeakPolarHBondContact O-CB 3.37Å; E388-K391 PolarHBondContact O-N 3.43Å; E388-H392 PolarHBondContact O-CD2 3.23Å; E388-H392 PolarHBondContact O-N 2.8Å
389M78.5Confident77.5Confident28 Ų2867 Ų6714%0.13835%0.354CS..Hα-helixtrans-63.5-40.7175.4-71.9-86.769.800112.2I319 L381 F385 K391 H392 T393I319-M389 HydrophobicContact CD1-CE 3.88Å; I319-M389 HydrophobicContact CD1-CG 4.01Å; I319-M389 HydrophobicContact CD1-SD 4.29Å; L381-M389 HydrophobicContact CB-CG 4Å; L381-M389 HydrophobicContact CB-SD 3.57Å; L381-M389 VanDerWaalsContact CB-SD 3.57Å; L381-M389 HydrophobicContact CD1-SD 4.31Å; F385-M389 WeakPolarHBondContact O-CB 3.43Å; F385-M389 VanDerWaalsContact O-CG 3.3Å; F385-M389 WeakPolarHBondContact O-CG 3.44Å; F385-M389 PolarHBondContact O-N 3.25Å; M389-K391 VanDerWaalsContact C-N 3.29Å; M389-K391 PolarHBondContact O-N 3.38Å; M389-H392 HydrophobicContact CE-CB 4.17Å; M389-H392 WeakPolarHBondContact O-CB 3.37Å; M389-H392 PolarHBondContact O-N 3.13Å; M389-T393 PolarHBondContact O-N 3.04Å; M389-T393 PolarHBondContact O-OG1 3.01Å; M389-T393 VanDerWaalsContact O-OG1 3.08Å
390A72.3Confident77.7Confident47 Ų4768.1 Ų68.139%0.38836%0.358SS..Hα-helixtrans-60.6-37.9175.900000112.4P386 E387 E388 H392 T393 A394P386-A390 VanDerWaalsContact O-CB 3.22Å; P386-A390 WeakPolarHBondContact O-CB 3.32Å; P386-A390 PolarHBondContact O-N 3.38Å; E387-A390 PolarHBondContact O-N 3.49Å; E388-A390 VanDerWaalsContact C-N 3.35Å; E388-A390 PolarHBondContact O-N 2.93Å; A390-H392 PolarHBondContact O-N 2.8Å; A390-T393 WeakPolarHBondContact CA-OG1 3.36Å; A390-T393 PolarHBondContact O-N 3.42Å; A390-T393 PolarHBondContact O-OG1 2.9Å; A390-A394 WeakPolarHBondContact O-CB 3.44Å; A390-A394 PolarHBondContact O-N 2.92Å
391K66.6Low77.8Confident148 Ų14868.1 Ų68.164%0.64336%0.358SS*.Hα-helixtrans-64.6-26.1174.7-71.9171.5-174.1167.60113.1E387 E388 M389E387-K391 WeakPolarHBondContact O-CG 3.09Å; E387-K391 PolarHBondContact O-N 2.95Å; E387-K391 VanDerWaalsContact O-N 3.14Å; E388-K391 WeakPolarHBondContact O-CB 3.37Å; E388-K391 PolarHBondContact O-N 3.43Å; M389-K391 VanDerWaalsContact C-N 3.29Å; M389-K391 PolarHBondContact O-N 3.38Å
392H59.9Low78.1Confident122 Ų12268.3 Ų68.357%0.56536%0.359SS*.Hα-helixtrans-82.6-23.3176-72.4-64000113.5E388 M389 A390E388-H392 PolarHBondContact O-CD2 3.23Å; E388-H392 PolarHBondContact O-N 2.8Å; M389-H392 HydrophobicContact CE-CB 4.17Å; M389-H392 WeakPolarHBondContact O-CB 3.37Å; M389-H392 PolarHBondContact O-N 3.13Å; A390-H392 PolarHBondContact O-N 2.8Å
393T52.5Low78.5Confident97 Ų9764.4 Ų64.460%0.59534%0.34SS*.Hα-helixtrans-105.5-8.2-176.147.10000114.9M389 A390M389-T393 PolarHBondContact O-N 3.04Å; M389-T393 PolarHBondContact O-OG1 3.01Å; M389-T393 VanDerWaalsContact O-OG1 3.08Å; A390-T393 WeakPolarHBondContact CA-OG1 3.36Å; A390-T393 PolarHBondContact O-N 3.42Å; A390-T393 PolarHBondContact O-OG1 2.9Å
394A47.6Very low78.8Confident58 Ų5861.3 Ų61.348%0.47933%0.327SS..SBendtrans-74.7132.9-178.100000111.5A390A390-A394 WeakPolarHBondContact O-CB 3.44Å; A390-A394 PolarHBondContact O-N 2.92Å
395E54.8Low79.1Confident180 Ų18059.8 Ų59.884%0.84132%0.32SS*.SBendtrans23.7130.6162.7-68.1-180166.500117.5I397E395-I397 WeakPolarHBondContact O-CG1 3.43Å; E395-I397 PolarHBondContact O-N 2.65Å
396V55.7Low79.5Confident70 Ų7059.5 Ų59.542%0.42432%0.319SS..  trans-28.798.2173.3179.60000111.7S398 C424 L425V396-S398 PolarHBondContact O-N 3.08Å; V396-C424 HydrophobicContact CG1-CB 3.59Å; V396-L425 WeakPolarHBondContact CA-O 3.22Å
397I73.4Confident79.9Confident51 Ų5156.8 Ų56.826%0.26230%0.301SS..  trans-80.297.4-176-54.9179.9000105.4E395 F399 C424 L425E395-I397 WeakPolarHBondContact O-CG1 3.43Å; E395-I397 PolarHBondContact O-N 2.65Å; I397-F399 HydrophobicContact CG2-CD1 4.18Å; I397-F399 VanDerWaalsContact O-CD1 3.27Å; I397-F399 WeakPolarHBondContact O-CD1 3.38Å; I397-C424 WeakPolarHBondContact O-CA 3.41Å; I397-L425 PolarHBondContact O-N 2.72Å
398S88.6Confident80.6Confident64 Ų6454.1 Ų54.145%0.44829%0.289SS..EExtended strand (participates in β ladder)trans-80.4129169.3-68.30000109.8V396 A423V396-S398 PolarHBondContact O-N 3.08Å; S398-A423 CarbonylContact C-O 3.52Å; S398-A423 VanDerWaalsContact CA-O 3.23Å; S398-A423 WeakPolarHBondContact CA-O 3.32Å
399F93.4Very high81.3Confident8 Ų857.9 Ų57.94%0.03531%0.306CS..EExtended strand (participates in β ladder)trans-142.7153.6178.456.2-89.3000111.4D301 L304 I397 L401 A423 L425 I454D301-F399 HydrophobicContact CB-CB 4.25Å; L304-F399 HydrophobicContact CD1-CB 4.4Å; L304-F399 HydrophobicContact CD1-CD2 3.53Å; L304-F399 HydrophobicContact CD1-CE2 3.81Å; L304-F399 HydrophobicContact CD1-CG 3.93Å; L304-F399 HydrophobicContact CD1-CZ 4.47Å; L304-F399 HydrophobicContact CD2-CD1 3.71Å; L304-F399 HydrophobicContact CD2-CD2 4.1Å; L304-F399 HydrophobicContact CD2-CE1 3.73Å; L304-F399 HydrophobicContact CD2-CE2 4.09Å; L304-F399 HydrophobicContact CD2-CG 3.89Å; L304-F399 HydrophobicContact CD2-CZ 3.91Å; L304-F399 HydrophobicContact CG-CD2 4.42Å; L304-F399 HydrophobicContact CG-CG 4.42Å; I397-F399 HydrophobicContact CG2-CD1 4.18Å; I397-F399 VanDerWaalsContact O-CD1 3.27Å; I397-F399 WeakPolarHBondContact O-CD1 3.38Å; F399-L401 HydrophobicContact CD2-CD2 4.01Å; F399-L401 HydrophobicContact CD2-CG 4.33Å; F399-L401 HydrophobicContact CE2-CD2 3.69Å; F399-L401 HydrophobicContact CE2-CG 4.11Å; F399-A423 HydrophobicContact CD2-CB 4.01Å; F399-A423 HydrophobicContact CE1-CB 4.17Å; F399-A423 HydrophobicContact CE2-CB 3.55Å; F399-A423 HydrophobicContact CZ-CB 3.64Å; F399-A423 PolarHBondContact N-O 3.03Å; F399-A423 PolarHBondContact O-N 3.41Å; F399-L425 HydrophobicContact CE1-CD2 4.08Å; F399-L425 HydrophobicContact CE1-CG 4.01Å; F399-L425 HydrophobicContact CZ-CD2 4.4Å; F399-I454 HydrophobicContact CE2-CD1 4.49Å; F399-I454 HydrophobicContact CZ-CD1 3.9Å; F399-I454 HydrophobicContact CZ-CG1 4.49Å
400Q95.8Very high82Confident88 Ų8857.6 Ų57.641%0.41131%0.307SS..EExtended strand (participates in β ladder)trans-78.7140.7177.4-178178.681.200111S299 P300 I402 I420S299-Q400 WeakPolarHBondContact CA-O 3.39Å; S299-Q400 WeakPolarHBondContact CB-O 3.22Å; S299-Q400 PolarHBondContact OG-O 3.12Å; P300-Q400 HydrophobicContact CG-CB 4.33Å; Q400-I402 HydrophobicContact CG-CG1 4.37Å; Q400-I420 HydrophobicContact CG-CG2 4.03Å
401L97.1Very high82.9Confident0 Ų056.3 Ų56.30%029%0.293CS..EExtended strand (participates in β ladder)trans-112.3137.3167.9-71.4-176.2000110.6L297 F399 I420 G421 A423 L447 I456 W458L297-L401 HydrophobicContact CD1-CB 4.14Å; L297-L401 HydrophobicContact CD1-CD1 4.38Å; L297-L401 HydrophobicContact CD1-CD2 4.08Å; L297-L401 HydrophobicContact CD1-CG 4.45Å; L297-L401 HydrophobicContact CD2-CD2 3.88Å; L297-L401 HydrophobicContact CG-CD2 4.06Å; F399-L401 HydrophobicContact CD2-CD2 4.01Å; F399-L401 HydrophobicContact CD2-CG 4.33Å; F399-L401 HydrophobicContact CE2-CD2 3.69Å; F399-L401 HydrophobicContact CE2-CG 4.11Å; L401-I420 WeakPolarHBondContact O-CA 3.24Å; L401-G421 PolarHBondContact N-O 3.26Å; L401-G421 PolarHBondContact O-N 3.35Å; L401-A423 HydrophobicContact CD1-CB 3.68Å; L401-A423 HydrophobicContact CG-CB 3.9Å; L401-L447 HydrophobicContact CD1-CD1 3.91Å; L401-I456 HydrophobicContact CD1-CD1 4.19Å; L401-I456 HydrophobicContact CD1-CG1 4.1Å; L401-I456 HydrophobicContact CD1-CG2 3.96Å; L401-W458 HydrophobicContact CB-CH2 4.16Å; L401-W458 HydrophobicContact CB-CZ3 4.31Å; L401-W458 HydrophobicContact CD1-CH2 4.41Å
402I97.9Very high83.8Confident10 Ų1054.3 Ų54.35%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-122.7106.8175.1-49.6178.3000107M63 L67 L74 L297 A298 Q400 Y418 I420M63-I402 HydrophobicContact CE-CB 4.19Å; M63-I402 HydrophobicContact CE-CG2 3.81Å; L67-I402 HydrophobicContact CD1-CD1 4.48Å; L74-I402 HydrophobicContact CD1-CD1 4.01Å; L74-I402 HydrophobicContact CD1-CG2 3.86Å; L297-I402 CarbonylContact C-O 3.39Å; L297-I402 WeakPolarHBondContact CA-O 3.43Å; A298-I402 HydrophobicContact CB-CB 4.49Å; A298-I402 PolarHBondContact N-O 3.34Å; A298-I402 PolarHBondContact O-N 3.38Å; Q400-I402 HydrophobicContact CG-CG1 4.37Å; I402-Y418 HydrophobicContact CG2-CD1 3.67Å; I402-Y418 HydrophobicContact CG2-CE1 4.43Å; I402-Y418 HydrophobicContact CG2-CG 3.86Å; I402-I420 HydrophobicContact CB-CD1 4.23Å; I402-I420 HydrophobicContact CG1-CD1 3.99Å; I402-I420 HydrophobicContact CG2-CD1 3.85Å
403H98Very high85.1Confident1 Ų151.7 Ų51.71%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-102.9138.1179.2178.1-97.7000111.3T295 V296 L297 Y418 S419 W458 P464 S465T295-H403 WeakPolarHBondContact CB-NE2 3.37Å; T295-H403 PolarHBondContact OG1-NE2 3.06Å; T295-H403 VanDerWaalsContact OG1-NE2 3.15Å; V296-H403 CarbonylContact O-C 3.57Å; V296-H403 WeakPolarHBondContact O-CA 3.33Å; L297-H403 HydrophobicContact CD1-CB 3.94Å; H403-Y418 CarbonylContact O-C 3.54Å; H403-Y418 VanDerWaalsContact O-CA 3.26Å; H403-Y418 WeakPolarHBondContact O-CA 3.33Å; H403-S419 PolarHBondContact N-O 2.79Å; H403-S419 PolarHBondContact O-N 3.01Å; H403-W458 HydrophobicContact CB-CH2 3.64Å; H403-W458 HydrophobicContact CB-CZ3 3.83Å; H403-P464 HydrophobicContact CB-CG 4.2Å; H403-P464 WeakPolarHBondContact ND1-CB 3.27Å; H403-S465 PolarHBondContact CE1-O 2.95Å
404Y98.1Very high86.9Confident2 Ų248.8 Ų48.81%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-122.1130.6177.3158.2-88.7000109.8A43 L44 I55 Q59 T295 V296 G406 V416 Y418A43-Y404 HydrophobicContact CB-CD2 4.07Å; A43-Y404 HydrophobicContact CB-CE2 4.08Å; L44-Y404 WeakPolarHBondContact O-CE2 3.5Å; L44-Y404 PolarHBondContact O-OH 3.03Å; I55-Y404 WeakPolarHBondContact CG2-OH 3.14Å; Q59-Y404 HydrophobicContact CB-CD1 4.17Å; Q59-Y404 HydrophobicContact CB-CE1 3.78Å; Q59-Y404 HydrophobicContact CG-CD1 3.54Å; Q59-Y404 HydrophobicContact CG-CD2 3.82Å; Q59-Y404 HydrophobicContact CG-CE1 3.56Å; Q59-Y404 HydrophobicContact CG-CE2 3.81Å; Q59-Y404 HydrophobicContact CG-CG 3.66Å; T295-Y404 WeakPolarHBondContact CA-O 3.24Å; T295-Y404 WeakPolarHBondContact CB-O 3.24Å; V296-Y404 HydrophobicContact CB-CD1 3.97Å; V296-Y404 HydrophobicContact CG2-CD1 3.86Å; V296-Y404 HydrophobicContact CG2-CE1 4.37Å; V296-Y404 PolarHBondContact N-O 3.02Å; V296-Y404 PolarHBondContact O-N 3.27Å; Y404-G406 VanDerWaalsContact CZ-CA 3.44Å; Y404-G406 VanDerWaalsContact OH-CA 3.28Å; Y404-G406 WeakPolarHBondContact OH-CA 3.29Å; Y404-V416 HydrophobicContact CD2-CG1 4.15Å; Y404-V416 HydrophobicContact CE2-CG1 3.77Å; Y404-Y418 HydrophobicContact CD2-CE1 4.32Å
405N97.2Very high89.1Confident4 Ų451.2 Ų51.22%0.02127%0.27CS..  trans-127.2117.3164.6-171.8-22.9000109.6H293 T295 L407 S410 N411 S465 N467H293-N405 PolarHBondContact NE2-OD1 3.29Å; T295-N405 HydrophobicContact CG2-CB 3.87Å; N405-L407 PolarHBondContact O-N 3.47Å; N405-L407 PolarHBondContact OD1-N 2.95Å; N405-S410 WeakPolarHBondContact ND2-CB 3.46Å; N405-N411 PolarHBondContact O-ND2 3.04Å; N405-S465 PolarHBondContact ND2-O 2.66Å; N405-S465 VanDerWaalsContact ND2-O 3.07Å; N405-N467 PolarHBondContact ND2-OXT 2.91Å
406G97.5Very high91.1Very high0 Ų042.6 Ų42.60%023%0.23CC..  trans-71.5-11.9-176.600000115.1Q46 Y404 V416Q46-G406 WeakPolarHBondContact CA-O 3.47Å; Q46-G406 WeakPolarHBondContact CB-O 3.33Å; Q46-G406 PolarHBondContact N-O 3.1Å; Y404-G406 VanDerWaalsContact CZ-CA 3.44Å; Y404-G406 VanDerWaalsContact OH-CA 3.28Å; Y404-G406 WeakPolarHBondContact OH-CA 3.29Å; G406-V416 WeakPolarHBondContact O-CG2 3.45Å
407L96Very high93Very high5 Ų542.3 Ų42.33%0.02622%0.221CC..BIsolated β-bridgetrans-83.3117.3177.6-70.8175.1000110.7Q46 H293 N405 H409 S410 N411Q46-L407 HydrophobicContact CB-CD2 4.23Å; Q46-L407 HydrophobicContact CG-CD2 3.83Å; H293-L407 VanDerWaalsContact CE1-CD1 3.49Å; H293-L407 WeakPolarHBondContact CE1-CD1 3.46Å; H293-L407 WeakPolarHBondContact NE2-CD1 3.47Å; N405-L407 PolarHBondContact O-N 3.47Å; N405-L407 PolarHBondContact OD1-N 2.95Å; L407-H409 VanDerWaalsContact C-N 3.3Å; L407-H409 PolarHBondContact O-N 2.93Å; L407-S410 WeakPolarHBondContact CB-OG 3.25Å; L407-S410 WeakPolarHBondContact O-CB 3.43Å; L407-S410 PolarHBondContact O-N 2.93Å; L407-N411 PolarHBondContact O-ND2 3.44Å
408E94.2Very high94Very high88 Ų8841.1 Ų41.141%0.41121%0.213SC..G310 helixtrans-54-44.4-179.7-75.5-179.1147.300112.9V45 S410 N411 G414 V416V45-E408 HydrophobicContact CG1-CG 4.08Å; E408-S410 PolarHBondContact O-N 3.34Å; E408-N411 WeakPolarHBondContact O-CB 3.41Å; E408-N411 PolarHBondContact O-N 3.4Å; E408-N411 VanDerWaalsContact O-N 3.09Å; E408-G414 WeakPolarHBondContact CB-O 3.43Å; E408-G414 CarbonylContact O-C 3.49Å; E408-G414 VanDerWaalsContact O-CA 3.3Å; E408-G414 WeakPolarHBondContact O-CA 3.33Å; E408-V416 HydrophobicContact CG-CG2 3.93Å
409H92Very high94.4Very high144 Ų14439.7 Ų39.767%0.66720%0.204SC*.G310 helixtrans-68.4-16.1-178.863.5-91.9000114.2L407 N411L407-H409 VanDerWaalsContact C-N 3.3Å; L407-H409 PolarHBondContact O-N 2.93Å; H409-N411 VanDerWaalsContact C-N 3.33Å
410S92.7Very high94.5Very high23 Ų2341.8 Ų41.816%0.16121%0.214CC..G310 helixtrans-87.7-6.8176.5-500000112.4N405 L407 E408 N467N405-S410 WeakPolarHBondContact ND2-CB 3.46Å; L407-S410 WeakPolarHBondContact CB-OG 3.25Å; L407-S410 WeakPolarHBondContact O-CB 3.43Å; L407-S410 PolarHBondContact O-N 2.93Å; E408-S410 PolarHBondContact O-N 3.34Å; S410-N467 VanDerWaalsContact CB-OXT 3.28Å; S410-N467 WeakPolarHBondContact CB-OXT 3.26Å; S410-N467 PolarHBondContact OG-OXT 3.12Å
411N92.5Very high94.5Very high20 Ų2037.7 Ų37.711%0.10720%0.196CC..SBendtrans-98147.7176.4-69.2-97.7000110.9N405 L407 E408 H409 D413 G414 R415 R417N405-N411 PolarHBondContact O-ND2 3.04Å; L407-N411 PolarHBondContact O-ND2 3.44Å; E408-N411 WeakPolarHBondContact O-CB 3.41Å; E408-N411 PolarHBondContact O-N 3.4Å; E408-N411 VanDerWaalsContact O-N 3.09Å; H409-N411 VanDerWaalsContact C-N 3.33Å; N411-D413 VanDerWaalsContact C-N 3.27Å; N411-D413 PolarHBondContact O-N 3.23Å; N411-D413 VanDerWaalsContact O-N 3.15Å; N411-G414 PolarHBondContact O-N 2.89Å; N411-R415 WeakPolarHBondContact CB-O 3.48Å; N411-R417 PolarHBondContact OD1-N 2.86Å; N411-R417 VanDerWaalsContact OD1-N 3.16Å; N411-R417 PolarHBondContact OD1-O 3.15Å
412T84.5Confident94.4Very high105 Ų10543 Ų4364%0.64422%0.221SC*.THydrogen-bonded Turntrans-61.9-26.7-167.8460000115.3
413D87Confident94.2Very high68 Ų6842.5 Ų42.536%0.36422%0.218SC..THydrogen-bonded Turntrans-119.418.7179.477.5-32000113.1N411 R415 R417N411-D413 VanDerWaalsContact C-N 3.27Å; N411-D413 PolarHBondContact O-N 3.23Å; N411-D413 VanDerWaalsContact O-N 3.15Å; D413-R415 PolarHBondContact O-N 3.22Å; D413-R415 PolarHBondContact OD1-N 3.32Å; D413-R415 IonicContact OD2-CZ 3.61Å; D413-R415 IonicContact OD2-NE 2.71Å; D413-R415 PolarHBondContact OD2-NE 3.44Å; D413-R415 IonicContact OD2-NH2 2.7Å; D413-R415 PolarHBondContact OD2-NH2 3.34Å; D413-R417 IonicContact OD1-NH1 3.64Å; D413-R417 PolarHBondContact OD1-NH1 3.1Å; D413-R417 IonicContact OD2-CZ 3.63Å; D413-R417 IonicContact OD2-NH1 3.18Å; D413-R417 PolarHBondContact OD2-NH1 2.82Å; D413-R417 IonicContact OD2-NH2 2.89Å; D413-R417 PolarHBondContact OD2-NH2 3.31Å
414G90.5Very high93.9Very high36 Ų3644 Ų4437%0.37123%0.229SC..SBendtrans71.814.3179.500000114.3E408 N411E408-G414 WeakPolarHBondContact CB-O 3.43Å; E408-G414 CarbonylContact O-C 3.49Å; E408-G414 VanDerWaalsContact O-CA 3.3Å; E408-G414 WeakPolarHBondContact O-CA 3.33Å; N411-G414 PolarHBondContact O-N 2.89Å
415R94.3Very high93.4Very high108 Ų10845.6 Ų45.641%0.40824%0.237SC..SBendtrans-125.3135.1176.3-66.6-178.3-72.4-171.5-5.9110.1V39 N411 D413 R417V39-R415 HydrophobicContact CG2-CB 4.02Å; N411-R415 WeakPolarHBondContact CB-O 3.48Å; D413-R415 PolarHBondContact O-N 3.22Å; D413-R415 PolarHBondContact OD1-N 3.32Å; D413-R415 IonicContact OD2-CZ 3.61Å; D413-R415 IonicContact OD2-NE 2.71Å; D413-R415 PolarHBondContact OD2-NE 3.44Å; D413-R415 IonicContact OD2-NH2 2.7Å; D413-R415 PolarHBondContact OD2-NH2 3.34Å; R415-R417 PolarHBondContact O-N 3.08Å; R415-R417 VanDerWaalsContact O-N 3.16Å
416V96.4Very high92.5Very high0 Ų045.9 Ų45.90%024%0.238CC..  trans-62.3118.1178176.10000110.1S37 A43 V45 Y404 G406 E408S37-V416 WeakPolarHBondContact CB-O 3.29Å; S37-V416 PolarHBondContact OG-O 3.44Å; A43-V416 HydrophobicContact CB-CG1 3.98Å; V45-V416 HydrophobicContact CB-CG2 4.46Å; V45-V416 HydrophobicContact CG1-CG2 4.33Å; V45-V416 HydrophobicContact CG2-CB 4.27Å; V45-V416 HydrophobicContact CG2-CG2 4.05Å; Y404-V416 HydrophobicContact CD2-CG1 4.15Å; Y404-V416 HydrophobicContact CE2-CG1 3.77Å; G406-V416 WeakPolarHBondContact O-CG2 3.45Å; E408-V416 HydrophobicContact CG-CG2 3.93Å
417R95Very high91.3Very high64 Ų6449.1 Ų49.124%0.24226%0.255CS..  trans-141.2161.6173.6-67.3-156.5-174.178.4-8.7113.2V39 E40 N411 D413 R415V39-R417 HydrophobicContact CG2-CG 3.76Å; E40-R417 HydrophobicContact CG-CB 4.1Å; E40-R417 HydrophobicContact CG-CG 3.8Å; N411-R417 PolarHBondContact OD1-N 2.86Å; N411-R417 VanDerWaalsContact OD1-N 3.16Å; N411-R417 PolarHBondContact OD1-O 3.15Å; D413-R417 IonicContact OD1-NH1 3.64Å; D413-R417 PolarHBondContact OD1-NH1 3.1Å; D413-R417 IonicContact OD2-CZ 3.63Å; D413-R417 IonicContact OD2-NH1 3.18Å; D413-R417 PolarHBondContact OD2-NH1 2.82Å; D413-R417 IonicContact OD2-NH2 2.89Å; D413-R417 PolarHBondContact OD2-NH2 3.31Å; R415-R417 PolarHBondContact O-N 3.08Å; R415-R417 VanDerWaalsContact O-N 3.16Å
418Y96.5Very high90Very high25 Ų2553 Ų5310%0.09828%0.281CS..EExtended strand (participates in β ladder)trans-72.2131.2168.1-59-68.2000110.9E40 S42 A43 Q59 M63 L74 I402 H403 Y404E40-Y418 HydrophobicContact CB-CE2 4.46Å; E40-Y418 HydrophobicContact CG-CD2 4.33Å; S42-Y418 VanDerWaalsContact C-OH 3.23Å; S42-Y418 WeakPolarHBondContact CB-OH 3.21Å; S42-Y418 PolarHBondContact O-OH 3.42Å; S42-Y418 VanDerWaalsContact OG-CE2 3.27Å; S42-Y418 WeakPolarHBondContact OG-CE2 3.4Å; S42-Y418 PolarHBondContact OG-OH 3.46Å; A43-Y418 HydrophobicContact CB-CE1 4.44Å; A43-Y418 HydrophobicContact CB-CE2 4.15Å; Q59-Y418 PolarHBondContact NE2-OH 3.2Å; M63-Y418 HydrophobicContact CE-CD1 4.29Å; M63-Y418 HydrophobicContact CE-CE1 3.92Å; M63-Y418 HydrophobicContact SD-CE1 4.21Å; L74-Y418 HydrophobicContact CB-CD2 4.37Å; L74-Y418 HydrophobicContact CB-CE2 3.81Å; L74-Y418 HydrophobicContact CD1-CD1 4.5Å; L74-Y418 HydrophobicContact CD1-CE1 4.08Å; L74-Y418 HydrophobicContact CD1-CE2 4.27Å; L74-Y418 HydrophobicContact CG-CE2 4.49Å; I402-Y418 HydrophobicContact CG2-CD1 3.67Å; I402-Y418 HydrophobicContact CG2-CE1 4.43Å; I402-Y418 HydrophobicContact CG2-CG 3.86Å; H403-Y418 CarbonylContact O-C 3.54Å; H403-Y418 VanDerWaalsContact O-CA 3.26Å; H403-Y418 WeakPolarHBondContact O-CA 3.33Å; Y404-Y418 HydrophobicContact CD2-CE1 4.32Å
419S95.8Very high88.7Confident35 Ų3553.6 Ų53.625%0.24529%0.291CS..EExtended strand (participates in β ladder)trans-91.5122.1164.6-65.70000108.4H403 W458H403-S419 PolarHBondContact N-O 2.79Å; H403-S419 PolarHBondContact O-N 3.01Å; S419-W458 WeakPolarHBondContact O-CZ3 3.48Å
420I96.5Very high87.6Confident51 Ų5151.8 Ų51.826%0.26228%0.283SS..EExtended strand (participates in β ladder)trans-99.3133.6179.2-50.7-59.2000109Q400 L401 I402 N459Q400-I420 HydrophobicContact CG-CG2 4.03Å; L401-I420 WeakPolarHBondContact O-CA 3.24Å; I402-I420 HydrophobicContact CB-CD1 4.23Å; I402-I420 HydrophobicContact CG1-CD1 3.99Å; I402-I420 HydrophobicContact CG2-CD1 3.85Å; I420-N459 WeakPolarHBondContact O-CB 3.47Å; I420-N459 PolarHBondContact O-N 3.38Å
421G95.8Very high86.3Confident2 Ų253.8 Ų53.82%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-137.1166.2174.300000111.7L401 K457L401-G421 PolarHBondContact N-O 3.26Å; L401-G421 PolarHBondContact O-N 3.35Å; G421-K457 CarbonylContact C-O 3.57Å; G421-K457 VanDerWaalsContact CA-O 3.26Å; G421-K457 WeakPolarHBondContact CA-O 3.47Å
422E95.1Very high85Confident112 Ų11260.5 Ų60.552%0.52333%0.325SS..EExtended strand (participates in β ladder)trans-114128170-170.1175.1-173.600107.4K457E422-K457 PolarHBondContact N-O 2.94Å; E422-K457 PolarHBondContact O-N 3.18Å
423A93.8Very high84.2Confident0 Ų061 Ų610%033%0.327CS..EExtended strand (participates in β ladder)trans-113.7146176.100000110S398 F399 L401 I454 R455 I456S398-A423 CarbonylContact C-O 3.52Å; S398-A423 VanDerWaalsContact CA-O 3.23Å; S398-A423 WeakPolarHBondContact CA-O 3.32Å; F399-A423 HydrophobicContact CD2-CB 4.01Å; F399-A423 HydrophobicContact CE1-CB 4.17Å; F399-A423 HydrophobicContact CE2-CB 3.55Å; F399-A423 HydrophobicContact CZ-CB 3.64Å; F399-A423 PolarHBondContact N-O 3.03Å; F399-A423 PolarHBondContact O-N 3.41Å; L401-A423 HydrophobicContact CD1-CB 3.68Å; L401-A423 HydrophobicContact CG-CB 3.9Å; A423-I454 HydrophobicContact CB-CD1 4.01Å; A423-I454 HydrophobicContact CB-CG1 4.1Å; A423-R455 CarbonylContact C-O 3.6Å; A423-R455 WeakPolarHBondContact CA-O 3.29Å; A423-I456 HydrophobicContact CB-CG1 4.2Å
424C90.9Very high83.4Confident33 Ų3361.6 Ų61.622%0.22333%0.328CS..EExtended strand (participates in β ladder)trans-131.6146.1173.5630000110.6V396 I397 I454 R455V396-C424 HydrophobicContact CG1-CB 3.59Å; I397-C424 WeakPolarHBondContact O-CA 3.41Å; C424-I454 CarbonylContact O-C 3.56Å; C424-I454 WeakPolarHBondContact O-CA 3.21Å; C424-R455 PolarHBondContact N-O 3.01Å; C424-R455 PolarHBondContact O-N 2.93Å
425L86.5Confident82.6Confident35 Ų3566.1 Ų66.118%0.18335%0.348CS..EExtended strand (participates in β ladder)trans-95.8112.8170.7-55.4-175.2000108.4V396 I397 F399 W451 I454V396-L425 WeakPolarHBondContact CA-O 3.22Å; I397-L425 PolarHBondContact O-N 2.72Å; F399-L425 HydrophobicContact CE1-CD2 4.08Å; F399-L425 HydrophobicContact CE1-CG 4.01Å; F399-L425 HydrophobicContact CZ-CD2 4.4Å; L425-W451 HydrophobicContact CD2-CB 3.69Å; L425-W451 HydrophobicContact CD2-CG 3.87Å; L425-I454 HydrophobicContact CD2-CB 3.93Å; L425-I454 HydrophobicContact CD2-CG1 4.08Å
426I80.3Confident81.7Confident10 Ų1068 Ų685%0.05136%0.362CS..  trans-77141.9177.9-58.3-174.2000109.1E430 E434 T453 R455I426-E430 HydrophobicContact CG2-CB 3.91Å; I426-E434 HydrophobicContact CD1-CG 4.15Å; I426-T453 PolarHBondContact N-O 3Å; I426-T453 VanDerWaalsContact N-O 3.15Å; I426-T453 WeakPolarHBondContact O-CB 3.29Å; I426-T453 WeakPolarHBondContact O-CG2 3.34Å; I426-T453 PolarHBondContact O-OG1 3.35Å; I426-R455 HydrophobicContact CD1-CB 4.44Å; I426-R455 HydrophobicContact CD1-CG 3.35Å; I426-R455 HydrophobicContact CG1-CG 3.92Å
427D71.3Confident80.7Confident67 Ų6773.9 Ų73.936%0.35840%0.4SS..  trans-60.9128.6169.5-172.6-51.6000109T429 E430 E431D427-T429 VanDerWaalsContact CG-OG1 3.26Å; D427-T429 PolarHBondContact O-N 2.66Å; D427-T429 WeakPolarHBondContact OD1-CB 3.47Å; D427-T429 PolarHBondContact OD1-N 3.14Å; D427-T429 PolarHBondContact OD1-OG1 3.43Å; D427-E430 HydrophobicContact CB-CB 4.31Å; D427-E430 HydrophobicContact CB-CG 4.11Å; D427-E430 WeakPolarHBondContact O-CA 3.41Å; D427-E430 PolarHBondContact O-N 3.38Å; D427-E431 PolarHBondContact O-N 2.94Å; D427-E431 VanDerWaalsContact O-N 3.09Å
428P68.5Low80Confident86 Ų8674.1 Ų74.156%0.55841%0.405SS*.THydrogen-bonded Turntrans-51.9-26.3178-26.733.4000114.7T453P428-T453 HydrophobicContact CG-CG2 4.09Å
429T67.4Low79.4Confident101 Ų10175.7 Ų75.762%0.6242%0.415SS*.THydrogen-bonded Turntrans-76.1-29.3175.962.80000113.3D427D427-T429 VanDerWaalsContact CG-OG1 3.26Å; D427-T429 PolarHBondContact O-N 2.66Å; D427-T429 WeakPolarHBondContact OD1-CB 3.47Å; D427-T429 PolarHBondContact OD1-N 3.14Å; D427-T429 PolarHBondContact OD1-OG1 3.43Å
430E67.6Low79Confident107 Ų10780.2 Ų80.250%0.543%0.432SS..THydrogen-bonded Turntrans-82.5-23.9175.6-67.2-174.6169.700112.3I426 D427 L432 V433 E434I426-E430 HydrophobicContact CG2-CB 3.91Å; D427-E430 HydrophobicContact CB-CB 4.31Å; D427-E430 HydrophobicContact CB-CG 4.11Å; D427-E430 WeakPolarHBondContact O-CA 3.41Å; D427-E430 PolarHBondContact O-N 3.38Å; E430-L432 PolarHBondContact O-N 2.97Å; E430-L432 VanDerWaalsContact O-N 3.12Å; E430-V433 PolarHBondContact O-N 2.85Å; E430-E434 PolarHBondContact O-N 2.83Å; E430-E434 VanDerWaalsContact O-N 3.1Å
431E65.6Low78.8Confident65 Ų6578.4 Ų78.430%0.30442%0.424SS..THydrogen-bonded Turntrans-57.1-29.5178.9-174.4164.7-138.200112.9D427 V433 R455D427-E431 PolarHBondContact O-N 2.94Å; D427-E431 VanDerWaalsContact O-N 3.09Å; E431-V433 VanDerWaalsContact C-N 3.27Å; E431-V433 PolarHBondContact O-N 2.89Å; E431-R455 IonicContact OE1-CZ 2.65Å; E431-R455 IonicContact OE1-NH1 3.42Å; E431-R455 PolarHBondContact OE1-NH1 2.84Å; E431-R455 IonicContact OE1-NH2 2.76Å; E431-R455 PolarHBondContact OE1-NH2 3.28Å
432L65.6Low78.8Confident161 Ų16181 Ų8184%0.84344%0.441SS*.THydrogen-bonded Turntrans-70.5-20.9175.9-66.7171.6000113.7E430E430-L432 PolarHBondContact O-N 2.97Å; E430-L432 VanDerWaalsContact O-N 3.12Å
433V68.9Low78.8Confident114 Ų11475.6 Ų75.669%0.69142%0.416SS*.THydrogen-bonded Turntrans-103.3-15.9-177.8-165.80000111.3E430 E431 T435E430-V433 PolarHBondContact O-N 2.85Å; E431-V433 VanDerWaalsContact C-N 3.27Å; E431-V433 PolarHBondContact O-N 2.89Å; V433-T435 PolarHBondContact O-N 3Å
434E70Confident78.8Confident81 Ų8175.9 Ų75.938%0.37942%0.417SS..  trans-63.8123.1179.2-168.261.9-97.400111I426 E430I426-E434 HydrophobicContact CD1-CG 4.15Å; E430-E434 PolarHBondContact O-N 2.83Å; E430-E434 VanDerWaalsContact O-N 3.1Å
435T73.1Confident79Confident131 Ų13177.1 Ų77.180%0.80442%0.42SS*.  trans-98.4-13.9-176.255.60000112.7V433V433-T435 PolarHBondContact O-N 3Å
436Q74.5Confident79.4Confident148 Ų14875.5 Ų75.569%0.69241%0.411SS*.SBendtrans-74.9130.4178.5-64.5-167.116.200110.4I438Q436-I438 PolarHBondContact O-N 3.36Å
437P76.5Confident80.1Confident124 Ų12475 Ų7581%0.80541%0.408SS*.PPolyproline II helixtrans-63.1135.9177.826.2-32.9000110.1D439P437-D439 PolarHBondContact O-N 3.21Å
438I79.3Confident81.2Confident68 Ų6873.4 Ų73.435%0.34940%0.404SS..PPolyproline II helixtrans-64.8128.9174.1-48.7-177.6000108.1Q436 Q440 Q444 R455Q436-I438 PolarHBondContact O-N 3.36Å; I438-Q440 PolarHBondContact O-N 3.11Å; I438-Q440 PolarHBondContact O-NE2 3.34Å; I438-Q444 HydrophobicContact CG2-CG 4.24Å; I438-R455 VanDerWaalsContact CD1-NH2 3.32Å
439D83.9Confident82.3Confident58 Ų5870.9 Ų70.931%0.3139%0.387SS..PPolyproline II helixtrans-52.4134.7170.2-179.815.3000109.4P437 S441 Q444P437-D439 PolarHBondContact O-N 3.21Å; D439-S441 VanDerWaalsContact CG-OG 3.3Å; D439-S441 WeakPolarHBondContact OD1-CB 3.48Å; D439-S441 PolarHBondContact OD1-N 3.39Å; D439-S441 PolarHBondContact OD1-OG 2.96Å; D439-S441 VanDerWaalsContact OD2-CB 3.26Å; D439-S441 WeakPolarHBondContact OD2-CB 3.33Å; D439-S441 PolarHBondContact OD2-OG 3.29Å; D439-Q444 HydrophobicContact CB-CB 4.16Å; D439-Q444 HydrophobicContact CB-CG 3.99Å; D439-Q444 WeakPolarHBondContact O-CG 3.23Å
440Q87.9Confident83.4Confident130 Ų13067.7 Ų67.761%0.60737%0.365SS*.  trans-102.112.5178.2-63.6-63.5-42.300111.1I438 Q445I438-Q440 PolarHBondContact O-N 3.11Å; I438-Q440 PolarHBondContact O-NE2 3.34Å; Q440-Q445 PolarHBondContact O-NE2 3.44Å
441S93.1Very high84.5Confident13 Ų1363.9 Ų63.99%0.09135%0.346CS..  trans-59.8148.217871.80000111.8D439 I443 Q444 Q445 S463D439-S441 VanDerWaalsContact CG-OG 3.3Å; D439-S441 WeakPolarHBondContact OD1-CB 3.48Å; D439-S441 PolarHBondContact OD1-N 3.39Å; D439-S441 PolarHBondContact OD1-OG 2.96Å; D439-S441 VanDerWaalsContact OD2-CB 3.26Å; D439-S441 WeakPolarHBondContact OD2-CB 3.33Å; D439-S441 PolarHBondContact OD2-OG 3.29Å; S441-I443 PolarHBondContact O-N 3.48Å; S441-I443 VanDerWaalsContact O-N 3.17Å; S441-Q444 WeakPolarHBondContact O-CB 3.3Å; S441-Q444 PolarHBondContact O-N 3.4Å; S441-Q444 WeakPolarHBondContact OG-CB 3.46Å; S441-Q444 PolarHBondContact OG-N 3Å; S441-Q445 PolarHBondContact O-N 3.3Å; S441-S463 WeakPolarHBondContact CB-OG 3.22Å; S441-S463 PolarHBondContact OG-OG 2.72Å
442P94.5Very high85.5Confident56 Ų5665.5 Ų65.536%0.36436%0.362SS..Hα-helixtrans-55.9-33.4178-28.636000113.6F265 C446 L466F265-P442 HydrophobicContact CD2-CB 3.83Å; F265-P442 HydrophobicContact CE2-CB 3.98Å; F265-P442 HydrophobicContact CG-CB 4.32Å; P442-C446 WeakPolarHBondContact O-CB 3.25Å; P442-C446 PolarHBondContact O-N 3.44Å; P442-L466 HydrophobicContact CB-CB 3.97Å; P442-L466 HydrophobicContact CB-CD2 3.78Å
443I95.6Very high86.4Confident0 Ų058.9 Ų58.90%033%0.328CS..Hα-helixtrans-66.1-48.3175.8-64.7174.2000110.4L288 S441 Q445 C446 L447 I456 W458 P464 L466L288-I443 HydrophobicContact CD1-CG1 4.49Å; L288-I443 HydrophobicContact CD1-CG2 4.29Å; S441-I443 PolarHBondContact O-N 3.48Å; S441-I443 VanDerWaalsContact O-N 3.17Å; I443-Q445 VanDerWaalsContact C-N 3.33Å; I443-Q445 PolarHBondContact O-N 3.48Å; I443-C446 PolarHBondContact O-N 3.26Å; I443-L447 HydrophobicContact CG2-CD1 4.14Å; I443-L447 HydrophobicContact CG2-CG 4.27Å; I443-L447 WeakPolarHBondContact O-CG 3.2Å; I443-L447 PolarHBondContact O-N 3Å; I443-I456 HydrophobicContact CG2-CD1 4.38Å; I443-W458 HydrophobicContact CG2-CZ2 4.11Å; I443-P464 HydrophobicContact CD1-CB 4.29Å; I443-P464 HydrophobicContact CD1-CG 3.71Å; I443-P464 VanDerWaalsContact CD1-O 3.23Å; I443-P464 WeakPolarHBondContact CD1-O 3.42Å; I443-L466 HydrophobicContact CG1-CB 4.16Å; I443-L466 HydrophobicContact CG1-CD1 3.89Å
444Q94.8Very high87.5Confident5 Ų553.4 Ų53.42%0.02330%0.295CS..Hα-helixtrans-58.1-45.2177.6175.965.44300111.4I438 D439 S441 L447 A448 I454 I456I438-Q444 HydrophobicContact CG2-CG 4.24Å; D439-Q444 HydrophobicContact CB-CB 4.16Å; D439-Q444 HydrophobicContact CB-CG 3.99Å; D439-Q444 WeakPolarHBondContact O-CG 3.23Å; S441-Q444 WeakPolarHBondContact O-CB 3.3Å; S441-Q444 PolarHBondContact O-N 3.4Å; S441-Q444 WeakPolarHBondContact OG-CB 3.46Å; S441-Q444 PolarHBondContact OG-N 3Å; Q444-L447 PolarHBondContact O-N 3.23Å; Q444-A448 WeakPolarHBondContact O-CB 3.49Å; Q444-A448 PolarHBondContact O-N 2.99Å; Q444-I454 PolarHBondContact NE2-O 3.31Å; Q444-I456 HydrophobicContact CB-CD1 4.42Å; Q444-I456 VanDerWaalsContact OE1-CD1 3.3Å; Q444-I456 VanDerWaalsContact OE1-CG1 3.29Å
445Q94.8Very high88.5Confident60 Ų6051.1 Ų51.128%0.2828%0.283SS..Hα-helixtrans-65.3-41.1177.3-66-17542.500112.5F265 A268 Q440 S441 I443 A448F265-Q445 HydrophobicContact CD2-CB 4.21Å; F265-Q445 HydrophobicContact CE2-CB 3.87Å; F265-Q445 HydrophobicContact CE2-CG 4.37Å; A268-Q445 HydrophobicContact CB-CB 4.09Å; Q440-Q445 PolarHBondContact O-NE2 3.44Å; S441-Q445 PolarHBondContact O-N 3.3Å; I443-Q445 VanDerWaalsContact C-N 3.33Å; I443-Q445 PolarHBondContact O-N 3.48Å; Q445-A448 PolarHBondContact O-N 3.49Å
446C94.8Very high89.4Confident0 Ų046 Ų460%025%0.25CS..Hα-helixtrans-64.1-42.2176.9-176.40000111.6L263 P442 I443 A448 T449L263-C446 VanDerWaalsContact CB-SG 3.57Å; P442-C446 WeakPolarHBondContact O-CB 3.25Å; P442-C446 PolarHBondContact O-N 3.44Å; I443-C446 PolarHBondContact O-N 3.26Å; C446-A448 VanDerWaalsContact C-N 3.34Å; C446-T449 PolarHBondContact O-N 2.9Å; C446-T449 PolarHBondContact O-OG1 2.84Å
447L94.9Very high90.3Very high0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-72.2-29.1177.7-63.3-170.2000112.9L263 L288 L297 L401 I443 Q444 T449 K450 W451 I454 I456L263-L447 HydrophobicContact CD1-CD2 3.6Å; L288-L447 HydrophobicContact CD2-CD2 4.19Å; L297-L447 HydrophobicContact CD2-CD1 3.5Å; L297-L447 HydrophobicContact CD2-CD2 3.51Å; L297-L447 HydrophobicContact CD2-CG 4.09Å; L401-L447 HydrophobicContact CD1-CD1 3.91Å; I443-L447 HydrophobicContact CG2-CD1 4.14Å; I443-L447 HydrophobicContact CG2-CG 4.27Å; I443-L447 WeakPolarHBondContact O-CG 3.2Å; I443-L447 PolarHBondContact O-N 3Å; Q444-L447 PolarHBondContact O-N 3.23Å; L447-T449 PolarHBondContact O-N 2.63Å; L447-K450 PolarHBondContact O-N 3.24Å; L447-W451 HydrophobicContact CB-CE3 4.37Å; L447-W451 HydrophobicContact CD2-CZ3 4.26Å; L447-W451 PolarHBondContact O-N 3.4Å; L447-I454 HydrophobicContact CB-CD1 4.06Å; L447-I454 HydrophobicContact CB-CG2 4.17Å; L447-I454 HydrophobicContact CD1-CD1 3.98Å; L447-I456 HydrophobicContact CD1-CD1 3.71Å
448A93Very high91.1Very high33 Ų3341 Ų4127%0.27321%0.214SC..Hα-helixtrans-61.6-20.8174.600000113.3Q444 Q445 C446 K450 W451 P452Q444-A448 WeakPolarHBondContact O-CB 3.49Å; Q444-A448 PolarHBondContact O-N 2.99Å; Q445-A448 PolarHBondContact O-N 3.49Å; C446-A448 VanDerWaalsContact C-N 3.34Å; A448-K450 PolarHBondContact O-N 2.88Å; A448-W451 WeakPolarHBondContact CA-O 3.34Å; A448-W451 CarbonylContact O-C 3.53Å; A448-P452 WeakPolarHBondContact O-CA 3.31Å
449T92.1Very high91.6Very high33 Ų3343.5 Ų43.520%0.20223%0.228CC..THydrogen-bonded Turntrans-72.9-17.9175.178.10000113.4E267 A268 K279 C446 L447E267-T449 HydrophobicContact CB-CG2 4.28Å; E267-T449 HydrophobicContact CG-CG2 3.89Å; E267-T449 WeakPolarHBondContact OE2-CB 3.49Å; E267-T449 PolarHBondContact OE2-OG1 3.48Å; A268-T449 HydrophobicContact CB-CG2 3.92Å; K279-T449 PolarHBondContact NZ-O 2.86Å; C446-T449 PolarHBondContact O-N 2.9Å; C446-T449 PolarHBondContact O-OG1 2.84Å; L447-T449 PolarHBondContact O-N 2.63Å
450K91.4Very high91.6Very high35 Ų3544.8 Ų44.815%0.15224%0.237CC..THydrogen-bonded Turntrans-104-41172179.6179.3167.267.10111.7L263 K279 N280 W286 L304 L447 A448L263-K450 HydrophobicContact CD2-CB 4.31Å; K279-K450 HydrophobicContact CB-CD 4.39Å; K279-K450 HydrophobicContact CB-CG 4.48Å; K279-K450 WeakPolarHBondContact O-CD 3.43Å; K279-K450 WeakPolarHBondContact O-CE 3.48Å; K279-K450 PolarHBondContact O-NZ 3.41Å; N280-K450 PolarHBondContact OD1-NZ 3.38Å; W286-K450 HydrophobicContact CZ2-CD 4.38Å; L304-K450 PolarHBondContact O-NZ 3.05Å; L447-K450 PolarHBondContact O-N 3.24Å; A448-K450 PolarHBondContact O-N 2.88Å
451W90.2Very high91Very high27 Ų2746.6 Ų46.610%0.10225%0.251CS..  trans-126.785.9-176.9-63.6-62.7000110.2W286 L304 L425 L447 A448 T453 I454W286-W451 AromaticContact CH2-CH2 3.67Å; W286-W451 HydrophobicContact CH2-CH2 3.67Å; W286-W451 HydrophobicContact CH2-CZ2 4.17Å; W286-W451 AromaticContact CZ2-CH2 4Å; W286-W451 HydrophobicContact CZ2-CH2 4Å; W286-W451 HydrophobicContact CZ2-CZ2 4.35Å; W286-W451 HydrophobicContact CZ3-CH2 4.06Å; L304-W451 HydrophobicContact CB-CH2 4.44Å; L304-W451 HydrophobicContact CB-CZ2 3.9Å; L304-W451 HydrophobicContact CD1-CH2 4.41Å; L304-W451 HydrophobicContact CD1-CZ2 4.44Å; L304-W451 HydrophobicContact CD2-CZ2 3.88Å; L304-W451 HydrophobicContact CG-CZ2 4.29Å; L425-W451 HydrophobicContact CD2-CB 3.69Å; L425-W451 HydrophobicContact CD2-CG 3.87Å; L447-W451 HydrophobicContact CB-CE3 4.37Å; L447-W451 HydrophobicContact CD2-CZ3 4.26Å; L447-W451 PolarHBondContact O-N 3.4Å; A448-W451 WeakPolarHBondContact CA-O 3.34Å; A448-W451 CarbonylContact O-C 3.53Å; W451-T453 PolarHBondContact O-N 3.32Å; W451-T453 VanDerWaalsContact O-N 3.1Å; W451-I454 HydrophobicContact CB-CB 3.84Å; W451-I454 HydrophobicContact CB-CD1 4.42Å; W451-I454 HydrophobicContact CB-CG2 4.3Å; W451-I454 HydrophobicContact CD2-CD1 4.42Å; W451-I454 HydrophobicContact CE3-CD1 3.77Å; W451-I454 HydrophobicContact CZ3-CD1 4.41Å; W451-I454 WeakPolarHBondContact O-CB 3.41Å; W451-I454 WeakPolarHBondContact O-CG2 3.41Å; W451-I454 PolarHBondContact O-N 3.48Å
452P85.9Confident90.6Very high98 Ų9854.3 Ų54.364%0.63628%0.278SS*.THydrogen-bonded Turntrans-54.5-35.2-171.5-29.636.5000114.9A448A448-P452 WeakPolarHBondContact O-CA 3.31Å
453T85.8Confident90.4Very high22 Ų2253 Ų5314%0.13527%0.271CS..THydrogen-bonded Turntrans-96.512.6-177.662.80000113.9I426 P428 W451 R455I426-T453 PolarHBondContact N-O 3Å; I426-T453 VanDerWaalsContact N-O 3.15Å; I426-T453 WeakPolarHBondContact O-CB 3.29Å; I426-T453 WeakPolarHBondContact O-CG2 3.34Å; I426-T453 PolarHBondContact O-OG1 3.35Å; P428-T453 HydrophobicContact CG-CG2 4.09Å; W451-T453 PolarHBondContact O-N 3.32Å; W451-T453 VanDerWaalsContact O-N 3.1Å; T453-R455 PolarHBondContact O-N 3.42Å
454I90.7Very high90.3Very high0 Ų054 Ų540%028%0.277CS..EExtended strand (participates in β ladder)trans-61141179.5-165170.4000110.6F399 A423 C424 L425 Q444 L447 W451 I456F399-I454 HydrophobicContact CE2-CD1 4.49Å; F399-I454 HydrophobicContact CZ-CD1 3.9Å; F399-I454 HydrophobicContact CZ-CG1 4.49Å; A423-I454 HydrophobicContact CB-CD1 4.01Å; A423-I454 HydrophobicContact CB-CG1 4.1Å; C424-I454 CarbonylContact O-C 3.56Å; C424-I454 WeakPolarHBondContact O-CA 3.21Å; L425-I454 HydrophobicContact CD2-CB 3.93Å; L425-I454 HydrophobicContact CD2-CG1 4.08Å; Q444-I454 PolarHBondContact NE2-O 3.31Å; L447-I454 HydrophobicContact CB-CD1 4.06Å; L447-I454 HydrophobicContact CB-CG2 4.17Å; L447-I454 HydrophobicContact CD1-CD1 3.98Å; W451-I454 HydrophobicContact CB-CB 3.84Å; W451-I454 HydrophobicContact CB-CD1 4.42Å; W451-I454 HydrophobicContact CB-CG2 4.3Å; W451-I454 HydrophobicContact CD2-CD1 4.42Å; W451-I454 HydrophobicContact CE3-CD1 3.77Å; W451-I454 HydrophobicContact CZ3-CD1 4.41Å; W451-I454 WeakPolarHBondContact O-CB 3.41Å; W451-I454 WeakPolarHBondContact O-CG2 3.41Å; W451-I454 PolarHBondContact O-N 3.48Å; I454-I456 HydrophobicContact CD1-CD1 4.46Å; I454-I456 HydrophobicContact CD1-CG1 4.18Å; I454-I456 HydrophobicContact CG1-CG1 4.12Å
455R90.9Very high90.2Very high33 Ų3355.9 Ų55.913%0.12529%0.291CS..EExtended strand (participates in β ladder)trans-127.6142.5162.8-61.6-61.9-178.1-91.5-3.1108.6A423 C424 I426 E431 I438 T453A423-R455 CarbonylContact C-O 3.6Å; A423-R455 WeakPolarHBondContact CA-O 3.29Å; C424-R455 PolarHBondContact N-O 3.01Å; C424-R455 PolarHBondContact O-N 2.93Å; I426-R455 HydrophobicContact CD1-CB 4.44Å; I426-R455 HydrophobicContact CD1-CG 3.35Å; I426-R455 HydrophobicContact CG1-CG 3.92Å; E431-R455 IonicContact OE1-CZ 2.65Å; E431-R455 IonicContact OE1-NH1 3.42Å; E431-R455 PolarHBondContact OE1-NH1 2.84Å; E431-R455 IonicContact OE1-NH2 2.76Å; E431-R455 PolarHBondContact OE1-NH2 3.28Å; I438-R455 VanDerWaalsContact CD1-NH2 3.32Å; T453-R455 PolarHBondContact O-N 3.42Å
456I92.9Very high90.1Very high22 Ų2253.2 Ų53.211%0.11328%0.278CS..EExtended strand (participates in β ladder)trans-126.1133.2-175.6-50.1162.3000109.4L401 A423 I443 Q444 L447 I454 W458L401-I456 HydrophobicContact CD1-CD1 4.19Å; L401-I456 HydrophobicContact CD1-CG1 4.1Å; L401-I456 HydrophobicContact CD1-CG2 3.96Å; A423-I456 HydrophobicContact CB-CG1 4.2Å; I443-I456 HydrophobicContact CG2-CD1 4.38Å; Q444-I456 HydrophobicContact CB-CD1 4.42Å; Q444-I456 VanDerWaalsContact OE1-CD1 3.3Å; Q444-I456 VanDerWaalsContact OE1-CG1 3.29Å; L447-I456 HydrophobicContact CD1-CD1 3.71Å; I454-I456 HydrophobicContact CD1-CD1 4.46Å; I454-I456 HydrophobicContact CD1-CG1 4.18Å; I454-I456 HydrophobicContact CG1-CG1 4.12Å; I456-W458 HydrophobicContact CG2-CD2 4.13Å; I456-W458 HydrophobicContact CG2-CG 4.42Å; I456-W458 HydrophobicContact CG2-CZ2 3.81Å
457K92.7Very high89.6Confident154 Ų15457.3 Ų57.367%0.6730%0.3SS*.EExtended strand (participates in β ladder)trans-121.1113.4169.9-173.6-179.9178-175.80109.4G421 E422G421-K457 CarbonylContact C-O 3.57Å; G421-K457 VanDerWaalsContact CA-O 3.26Å; G421-K457 WeakPolarHBondContact CA-O 3.47Å; E422-K457 PolarHBondContact N-O 2.94Å; E422-K457 PolarHBondContact O-N 3.18Å
458W93.6Very high89.4Confident15 Ų1560.2 Ų60.26%0.05732%0.315CS..EExtended strand (participates in β ladder)trans-81145.4176.6-6298.3000111.1L297 L401 H403 S419 I443 I456 V460 S463 P464L297-W458 HydrophobicContact CD1-CH2 4.17Å; L401-W458 HydrophobicContact CB-CH2 4.16Å; L401-W458 HydrophobicContact CB-CZ3 4.31Å; L401-W458 HydrophobicContact CD1-CH2 4.41Å; H403-W458 HydrophobicContact CB-CH2 3.64Å; H403-W458 HydrophobicContact CB-CZ3 3.83Å; S419-W458 WeakPolarHBondContact O-CZ3 3.48Å; I443-W458 HydrophobicContact CG2-CZ2 4.11Å; I456-W458 HydrophobicContact CG2-CD2 4.13Å; I456-W458 HydrophobicContact CG2-CG 4.42Å; I456-W458 HydrophobicContact CG2-CZ2 3.81Å; W458-V460 CarbonylContact C-O 3.59Å; W458-V460 VanDerWaalsContact CB-O 3.32Å; W458-V460 WeakPolarHBondContact CB-O 3.41Å; W458-V460 CarbonylContact O-C 3.28Å; W458-V460 PolarHBondContact O-N 3.34Å; W458-V460 VanDerWaalsContact O-O 3.12Å; W458-S463 PolarHBondContact NE1-OG 3.49Å; W458-P464 HydrophobicContact CD2-CG 3.86Å; W458-P464 HydrophobicContact CE3-CG 3.98Å; W458-P464 HydrophobicContact CH2-CG 3.89Å; W458-P464 HydrophobicContact CZ2-CG 3.73Å; W458-P464 HydrophobicContact CZ3-CG 4.01Å
459N90.6Very high89.2Confident120 Ų12061.6 Ų61.664%0.64232%0.318SS*.SBendtrans-62.7-31.8179.6-75.3-1.3000112.4I420I420-N459 WeakPolarHBondContact O-CB 3.47Å; I420-N459 PolarHBondContact O-N 3.38Å
460V82.8Confident89Confident84 Ų8463.2 Ų63.251%0.50932%0.324SS..SBendtrans-89.7134.2166.4-172.80000106.2W458 R462W458-V460 CarbonylContact C-O 3.59Å; W458-V460 VanDerWaalsContact CB-O 3.32Å; W458-V460 WeakPolarHBondContact CB-O 3.41Å; W458-V460 CarbonylContact O-C 3.28Å; W458-V460 PolarHBondContact O-N 3.34Å; W458-V460 VanDerWaalsContact O-O 3.12Å; V460-R462 PolarHBondContact O-N 2.92Å
461N76Confident88.9Confident168 Ų16864.9 Ų64.990%0.89833%0.334SS*.SBendtrans-65.632.7-179.2-71.9-17.8000114.2
462R84.2Confident88.8Confident176 Ų17667.3 Ų67.366%0.66435%0.349SS*.SBendtrans-145.7129.2178.5-176.4179.7178.1-171.5-1.7108.7V460V460-R462 PolarHBondContact O-N 2.92Å
463S90.2Very high89Confident29 Ų2965.2 Ų65.220%0.20333%0.329CS..PPolyproline II helixtrans-63.4133.5171.8-170.70000110.4S441 W458S441-S463 WeakPolarHBondContact CB-OG 3.22Å; S441-S463 PolarHBondContact OG-OG 2.72Å; W458-S463 PolarHBondContact NE1-OG 3.49Å
464P93.8Very high89.2Confident19 Ų1968.3 Ų68.312%0.12334%0.343CS..PPolyproline II helixtrans-65.2153.5177.123.9-26.2000110.8H403 I443 W458H403-P464 HydrophobicContact CB-CG 4.2Å; H403-P464 WeakPolarHBondContact ND1-CB 3.27Å; I443-P464 HydrophobicContact CD1-CB 4.29Å; I443-P464 HydrophobicContact CD1-CG 3.71Å; I443-P464 VanDerWaalsContact CD1-O 3.23Å; I443-P464 WeakPolarHBondContact CD1-O 3.42Å; W458-P464 HydrophobicContact CD2-CG 3.86Å; W458-P464 HydrophobicContact CE3-CG 3.98Å; W458-P464 HydrophobicContact CH2-CG 3.89Å; W458-P464 HydrophobicContact CZ2-CG 3.73Å; W458-P464 HydrophobicContact CZ3-CG 4.01Å
465S93.2Very high89.1Confident46 Ų4673.5 Ų73.532%0.32237%0.37SS..PPolyproline II helixtrans-79.3138.3-178.7-160.80000111.7H403 N405 N467H403-S465 PolarHBondContact CE1-O 2.95Å; N405-S465 PolarHBondContact ND2-O 2.66Å; N405-S465 VanDerWaalsContact ND2-O 3.07Å; S465-N467 VanDerWaalsContact C-N 3.3Å; S465-N467 WeakPolarHBondContact CB-O 3.46Å; S465-N467 VanDerWaalsContact OG-C 3.3Å; S465-N467 PolarHBondContact OG-N 2.85Å; S465-N467 PolarHBondContact OG-O 3.25Å
466L91.6Very high88.9Confident4 Ų476.9 Ų76.92%0.02139%0.39CS..  trans-81.1-13.1167.1-162.270.9000112.3F265 L288 S290 T295 P442 I443F265-L466 HydrophobicContact CB-CD2 3.83Å; F265-L466 HydrophobicContact CG-CD2 4.48Å; L288-L466 HydrophobicContact CB-CD1 3.54Å; L288-L466 HydrophobicContact CD1-CD1 4Å; L288-L466 HydrophobicContact CG-CD1 4.46Å; S290-L466 PolarHBondContact OG-O 2.63Å; T295-L466 VanDerWaalsContact OG1-CD1 3.25Å; T295-L466 WeakPolarHBondContact OG1-CD1 3.33Å; P442-L466 HydrophobicContact CB-CB 3.97Å; P442-L466 HydrophobicContact CB-CD2 3.78Å; I443-L466 HydrophobicContact CG1-CB 4.16Å; I443-L466 HydrophobicContact CG1-CD1 3.89Å
467N85.9Confident88.6Confident86 Ų8681.9 Ų81.946%0.4642%0.415SS..  trans-136.80172-171.68.8000109.7T292 H293 N405 S410 S465T292-N467 PolarHBondContact OG1-ND2 3.46Å; H293-N467 HydrophobicContact CB-CB 4.32Å; H293-N467 WeakPolarHBondContact CB-OD1 3.36Å; N405-N467 PolarHBondContact ND2-OXT 2.91Å; S410-N467 VanDerWaalsContact CB-OXT 3.28Å; S410-N467 WeakPolarHBondContact CB-OXT 3.26Å; S410-N467 PolarHBondContact OG-OXT 3.12Å; S465-N467 VanDerWaalsContact C-N 3.3Å; S465-N467 WeakPolarHBondContact CB-O 3.46Å; S465-N467 VanDerWaalsContact OG-C 3.3Å; S465-N467 PolarHBondContact OG-N 2.85Å; S465-N467 PolarHBondContact OG-O 3.25Å

Retrieved 467 of 467 residues in 264.2 ms (Link to these results)

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