A0A087XNR0_POEFO Loading...

Tyrosine-protein phosphatase non-receptor type

AlphaFold DB , UniProt , Accession A0A087XNR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 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
1M88.6Confident94.8Very high41 Ų4176.5 Ų76.520%0.20238%0.383CS..  0-63.30-167.3-178.6-59.100112.8E4 F5 M233 V242 I244 Y269 V272 I273M1-E4 PolarHBondContact O-N 3.49Å; M1-F5 WeakPolarHBondContact O-CB 3.37Å; M1-F5 PolarHBondContact O-N 3.34Å; M1-M233 HydrophobicContact CE-CE 3.2Å; M1-M233 HydrophobicContact SD-CE 3.78Å; M1-V242 HydrophobicContact CE-CB 4.39Å; M1-V242 HydrophobicContact CE-CG1 4.35Å; M1-V242 VanDerWaalsContact CE-O 3.22Å; M1-V242 WeakPolarHBondContact CE-O 3.26Å; M1-I244 HydrophobicContact CE-CD1 3.68Å; M1-I244 HydrophobicContact CE-CG1 3.5Å; M1-I244 VanDerWaalsContact CE-CG1 3.5Å; M1-I244 HydrophobicContact CG-CD1 3.93Å; M1-I244 HydrophobicContact SD-CD1 3.44Å; M1-I244 WeakPolarHBondContact SD-CD1 3Å; M1-I244 HydrophobicContact SD-CG1 4.01Å; M1-Y269 HydrophobicContact CG-CD1 4Å; M1-Y269 HydrophobicContact CG-CE1 4.26Å; M1-V272 HydrophobicContact CE-CG1 3.79Å; M1-V272 HydrophobicContact SD-CB 4.07Å; M1-V272 HydrophobicContact SD-CG1 3.44Å; M1-V272 WeakPolarHBondContact SD-CG1 3.31Å; M1-I273 HydrophobicContact CG-CD1 4.41Å; M1-I273 HydrophobicContact CG-CG1 4.06Å; M1-I273 HydrophobicContact SD-CG1 4Å
2E92.3Very high94.9Very high94 Ų9474.6 Ų74.644%0.43940%0.397SS..Hα-helixtrans-61.5-46.7179.1-73.9176.4-164.300112.8E4 F5 W6 I273E2-E4 PolarHBondContact O-N 3.49Å; E2-F5 WeakPolarHBondContact O-CB 3.42Å; E2-F5 PolarHBondContact O-N 3.36Å; E2-W6 PolarHBondContact O-N 3.09Å; E2-I273 HydrophobicContact CG-CB 4.45Å; E2-I273 HydrophobicContact CG-CD1 4.07Å; E2-I273 HydrophobicContact CG-CG1 3.91Å; E2-I273 HydrophobicContact CG-CG2 3.73Å
3A92.9Very high95.1Very high79 Ų7973.1 Ų73.165%0.65339%0.393SS*.Hα-helixtrans-60.7-45.5175.600000112.3F5 W6 E7A3-F5 VanDerWaalsContact C-N 3.32Å; A3-F5 PolarHBondContact O-N 3Å; A3-W6 PolarHBondContact O-N 3.38Å; A3-E7 WeakPolarHBondContact O-CB 3.42Å; A3-E7 PolarHBondContact O-N 3.47Å
4E93.6Very high95.2Very high42 Ų4268.9 Ų68.920%0.19637%0.369CS..Hα-helixtrans-59.7-40.9174.9178-169.8175.700111.7M1 E2 E7 I8 Y269M1-E4 PolarHBondContact O-N 3.49Å; E2-E4 PolarHBondContact O-N 3.49Å; E4-E7 PolarHBondContact O-N 3.35Å; E4-I8 HydrophobicContact CG-CD1 3.87Å; E4-I8 WeakPolarHBondContact O-CD1 3.4Å; E4-I8 WeakPolarHBondContact O-CG1 3.49Å; E4-I8 PolarHBondContact O-N 3.16Å; E4-Y269 HydrophobicContact CG-CE1 4.28Å; E4-Y269 PolarHBondContact OE1-OH 3.43Å
5F96.1Very high95.4Very high2 Ų271.7 Ų71.71%0.00938%0.383CS..Hα-helixtrans-59.9-52.9176.4173.8-91000110.9M1 E2 A3 E7 I8 D9 W14 R266 Y269 L270 I273M1-F5 WeakPolarHBondContact O-CB 3.37Å; M1-F5 PolarHBondContact O-N 3.34Å; E2-F5 WeakPolarHBondContact O-CB 3.42Å; E2-F5 PolarHBondContact O-N 3.36Å; A3-F5 VanDerWaalsContact C-N 3.32Å; A3-F5 PolarHBondContact O-N 3Å; F5-E7 VanDerWaalsContact C-N 3.33Å; F5-E7 PolarHBondContact O-N 3.27Å; F5-I8 PolarHBondContact O-N 2.96Å; F5-D9 HydrophobicContact CE1-CB 4.19Å; F5-D9 HydrophobicContact CZ-CB 4.37Å; F5-D9 WeakPolarHBondContact O-CB 3.43Å; F5-D9 PolarHBondContact O-N 2.83Å; F5-W14 AromaticContact CD2-CH2 3.77Å; F5-W14 HydrophobicContact CD2-CH2 3.77Å; F5-W14 AromaticContact CD2-CZ2 3.46Å; F5-W14 HydrophobicContact CD2-CZ2 3.46Å; F5-W14 VanDerWaalsContact CD2-CZ2 3.46Å; F5-W14 HydrophobicContact CE2-CH2 4.14Å; F5-W14 AromaticContact CE2-CZ2 3.54Å; F5-W14 HydrophobicContact CE2-CZ2 3.54Å; F5-W14 HydrophobicContact CG-CZ2 4.38Å; F5-W14 HydrophobicContact CZ-CZ2 4.48Å; F5-R266 HydrophobicContact CE2-CG 3.95Å; F5-R266 HydrophobicContact CZ-CG 4.49Å; F5-Y269 HydrophobicContact CB-CD1 4.16Å; F5-Y269 HydrophobicContact CD2-CD1 4.35Å; F5-Y269 HydrophobicContact CD2-CG 4.26Å; F5-L270 HydrophobicContact CE1-CD2 3.95Å; F5-L270 HydrophobicContact CE2-CD2 3.76Å; F5-L270 HydrophobicContact CE2-CG 3.72Å; F5-L270 HydrophobicContact CZ-CD1 4.4Å; F5-L270 HydrophobicContact CZ-CD2 3.35Å; F5-L270 HydrophobicContact CZ-CG 3.76Å; F5-I273 HydrophobicContact CB-CD1 3.74Å; F5-I273 HydrophobicContact CD1-CD1 4.41Å; F5-I273 HydrophobicContact CD2-CD1 4.28Å; F5-I273 HydrophobicContact CG-CD1 3.88Å
6W96.4Very high95.5Very high138 Ų13872.5 Ų72.552%0.52340%0.396SS..Hα-helixtrans-64.6-38.2-179-70.9119.5000112.2E2 A3 I8 D9 E10E2-W6 PolarHBondContact O-N 3.09Å; A3-W6 PolarHBondContact O-N 3.38Å; W6-I8 VanDerWaalsContact C-N 3.33Å; W6-I8 PolarHBondContact O-N 3.22Å; W6-D9 PolarHBondContact O-N 3Å; W6-E10 VanDerWaalsContact O-CB 3.28Å; W6-E10 WeakPolarHBondContact O-CB 3.28Å; W6-E10 VanDerWaalsContact O-CG 3.28Å; W6-E10 WeakPolarHBondContact O-CG 3.43Å; W6-E10 PolarHBondContact O-N 3.44Å
7E96.6Very high95.7Very high125 Ų12569.5 Ų69.558%0.58438%0.381SS*.Hα-helixtrans-58.9-43.6173.5-178-179-173.500112.1A3 E4 F5 N11A3-E7 WeakPolarHBondContact O-CB 3.42Å; A3-E7 PolarHBondContact O-N 3.47Å; E4-E7 PolarHBondContact O-N 3.35Å; F5-E7 VanDerWaalsContact C-N 3.33Å; F5-E7 PolarHBondContact O-N 3.27Å; E7-N11 VanDerWaalsContact O-CB 3.28Å; E7-N11 WeakPolarHBondContact O-CB 3.39Å; E7-N11 VanDerWaalsContact O-CG 3.27Å; E7-N11 PolarHBondContact O-N 3.05Å; E7-N11 PolarHBondContact O-ND2 3.03Å
8I96.9Very high95.8Very high13 Ų1366.3 Ų66.37%0.06736%0.362CS..Hα-helixtrans-71.1-41.1178.3-62.7163.2000110.7E4 F5 W6 G12 T13 W14 V17E4-I8 HydrophobicContact CG-CD1 3.87Å; E4-I8 WeakPolarHBondContact O-CD1 3.4Å; E4-I8 WeakPolarHBondContact O-CG1 3.49Å; E4-I8 PolarHBondContact O-N 3.16Å; F5-I8 PolarHBondContact O-N 2.96Å; W6-I8 VanDerWaalsContact C-N 3.33Å; W6-I8 PolarHBondContact O-N 3.22Å; I8-G12 PolarHBondContact O-N 3.22Å; I8-T13 PolarHBondContact O-N 3.26Å; I8-T13 PolarHBondContact O-OG1 3.33Å; I8-W14 HydrophobicContact CB-CD2 4.49Å; I8-W14 HydrophobicContact CB-CH2 4.43Å; I8-W14 HydrophobicContact CB-CZ2 4.12Å; I8-W14 HydrophobicContact CD1-CH2 4.3Å; I8-W14 HydrophobicContact CD1-CZ3 4.34Å; I8-W14 HydrophobicContact CG2-CB 4.4Å; I8-W14 HydrophobicContact CG2-CD2 3.41Å; I8-W14 VanDerWaalsContact CG2-CD2 3.41Å; I8-W14 HydrophobicContact CG2-CE3 3.77Å; I8-W14 HydrophobicContact CG2-CG 3.73Å; I8-W14 HydrophobicContact CG2-CH2 4.2Å; I8-W14 HydrophobicContact CG2-CZ2 3.9Å; I8-W14 HydrophobicContact CG2-CZ3 4.15Å; I8-V17 HydrophobicContact CD1-CG1 4.39Å; I8-V17 HydrophobicContact CD1-CG2 4Å; I8-V17 HydrophobicContact CG1-CG2 4.06Å; I8-V17 HydrophobicContact CG2-CG2 4.03Å
9D95.8Very high95.9Very high42 Ų4266.6 Ų66.623%0.22536%0.361CS..Hα-helixtrans-70.9-47.4-174.2-147.347.1000112.4F5 W6 N11 G12 W14 R266F5-D9 HydrophobicContact CE1-CB 4.19Å; F5-D9 HydrophobicContact CZ-CB 4.37Å; F5-D9 WeakPolarHBondContact O-CB 3.43Å; F5-D9 PolarHBondContact O-N 2.83Å; W6-D9 PolarHBondContact O-N 3Å; D9-N11 VanDerWaalsContact C-N 3.28Å; D9-N11 PolarHBondContact O-N 3.35Å; D9-G12 PolarHBondContact O-N 3.45Å; D9-G12 VanDerWaalsContact O-N 3.11Å; D9-W14 PolarHBondContact OD1-NE1 2.97Å; D9-R266 IonicContact OD1-CZ 3.49Å; D9-R266 IonicContact OD1-NE 2.75Å; D9-R266 PolarHBondContact OD1-NE 3.42Å; D9-R266 IonicContact OD1-NH2 3.56Å; D9-R266 PolarHBondContact OD1-NH2 3.37Å; D9-R266 IonicContact OD2-CZ 3.58Å; D9-R266 IonicContact OD2-NE 3.58Å; D9-R266 IonicContact OD2-NH2 2.76Å; D9-R266 PolarHBondContact OD2-NH2 2.99Å
10E96.7Very high96Very high157 Ų15765.7 Ų65.773%0.73436%0.356SS*.Hα-helixtrans-64.9-34.4178.4-69.2179.3167.200111.8W6 G12W6-E10 VanDerWaalsContact O-CB 3.28Å; W6-E10 WeakPolarHBondContact O-CB 3.28Å; W6-E10 VanDerWaalsContact O-CG 3.28Å; W6-E10 WeakPolarHBondContact O-CG 3.43Å; W6-E10 PolarHBondContact O-N 3.44Å; E10-G12 VanDerWaalsContact C-N 3.35Å
11N96.4Very high96.1Very high108 Ų10862.6 Ų62.658%0.57834%0.339SS*.THydrogen-bonded Turntrans-84.1-8.1176.5-66.9-39.1000113.4E7 D9 T13E7-N11 VanDerWaalsContact O-CB 3.28Å; E7-N11 WeakPolarHBondContact O-CB 3.39Å; E7-N11 VanDerWaalsContact O-CG 3.27Å; E7-N11 PolarHBondContact O-N 3.05Å; E7-N11 PolarHBondContact O-ND2 3.03Å; D9-N11 VanDerWaalsContact C-N 3.28Å; D9-N11 PolarHBondContact O-N 3.35Å; N11-T13 VanDerWaalsContact C-N 3.29Å; N11-T13 HydrophobicContact CB-CG2 3.83Å; N11-T13 PolarHBondContact O-N 3.41Å
12G96.1Very high96.5Very high54 Ų5466.8 Ų66.856%0.55735%0.352SS*.THydrogen-bonded Turntrans6329.5-178.200000114.4I8 D9 E10I8-G12 PolarHBondContact O-N 3.22Å; D9-G12 PolarHBondContact O-N 3.45Å; D9-G12 VanDerWaalsContact O-N 3.11Å; E10-G12 VanDerWaalsContact C-N 3.35Å
13T97.4Very high96.7Very high55 Ų5569.6 Ų69.634%0.33737%0.366SS..  trans-96.111.3-168.755.50000114.9I8 N11 N15 S16 V17I8-T13 PolarHBondContact O-N 3.26Å; I8-T13 PolarHBondContact O-OG1 3.33Å; N11-T13 VanDerWaalsContact C-N 3.29Å; N11-T13 HydrophobicContact CB-CG2 3.83Å; N11-T13 PolarHBondContact O-N 3.41Å; T13-N15 PolarHBondContact O-N 3.49Å; T13-N15 VanDerWaalsContact O-N 3.13Å; T13-S16 WeakPolarHBondContact O-CB 3.47Å; T13-S16 PolarHBondContact O-N 3.43Å; T13-V17 PolarHBondContact O-N 3.44Å; T13-V17 VanDerWaalsContact O-N 3.12Å
14W97.7Very high96.9Very high15 Ų1570.7 Ų70.76%0.05736%0.357CS..Hα-helixtrans-51.8-38.4-179.9-75.5109.3000114.3F5 I8 D9 V17 Y18 P262 L265 R266 Y269F5-W14 AromaticContact CD2-CH2 3.77Å; F5-W14 HydrophobicContact CD2-CH2 3.77Å; F5-W14 AromaticContact CD2-CZ2 3.46Å; F5-W14 HydrophobicContact CD2-CZ2 3.46Å; F5-W14 VanDerWaalsContact CD2-CZ2 3.46Å; F5-W14 HydrophobicContact CE2-CH2 4.14Å; F5-W14 AromaticContact CE2-CZ2 3.54Å; F5-W14 HydrophobicContact CE2-CZ2 3.54Å; F5-W14 HydrophobicContact CG-CZ2 4.38Å; F5-W14 HydrophobicContact CZ-CZ2 4.48Å; I8-W14 HydrophobicContact CB-CD2 4.49Å; I8-W14 HydrophobicContact CB-CH2 4.43Å; I8-W14 HydrophobicContact CB-CZ2 4.12Å; I8-W14 HydrophobicContact CD1-CH2 4.3Å; I8-W14 HydrophobicContact CD1-CZ3 4.34Å; I8-W14 HydrophobicContact CG2-CB 4.4Å; I8-W14 HydrophobicContact CG2-CD2 3.41Å; I8-W14 VanDerWaalsContact CG2-CD2 3.41Å; I8-W14 HydrophobicContact CG2-CE3 3.77Å; I8-W14 HydrophobicContact CG2-CG 3.73Å; I8-W14 HydrophobicContact CG2-CH2 4.2Å; I8-W14 HydrophobicContact CG2-CZ2 3.9Å; I8-W14 HydrophobicContact CG2-CZ3 4.15Å; D9-W14 PolarHBondContact OD1-NE1 2.97Å; W14-V17 PolarHBondContact O-N 2.98Å; W14-Y18 VanDerWaalsContact O-CB 3.29Å; W14-Y18 WeakPolarHBondContact O-CB 3.36Å; W14-Y18 PolarHBondContact O-N 3.33Å; W14-P262 HydrophobicContact CB-CB 4.08Å; W14-L265 HydrophobicContact CE3-CD2 4.3Å; W14-L265 HydrophobicContact CE3-CG 4.32Å; W14-L265 HydrophobicContact CZ3-CD2 4.32Å; W14-L265 HydrophobicContact CZ3-CG 4.07Å; W14-R266 HydrophobicContact CD2-CB 3.72Å; W14-R266 HydrophobicContact CD2-CG 4.06Å; W14-R266 HydrophobicContact CE3-CB 3.96Å; W14-R266 HydrophobicContact CG-CB 4.26Å; W14-R266 HydrophobicContact CH2-CB 4.25Å; W14-R266 HydrophobicContact CH2-CG 4.38Å; W14-R266 HydrophobicContact CZ2-CB 4Å; W14-R266 HydrophobicContact CZ2-CG 3.72Å; W14-R266 HydrophobicContact CZ3-CB 4.22Å; W14-Y269 HydrophobicContact CH2-CD1 4.28Å; W14-Y269 AromaticContact CH2-CD2 3.89Å; W14-Y269 HydrophobicContact CH2-CD2 3.89Å; W14-Y269 HydrophobicContact CH2-CE2 4.36Å; W14-Y269 AromaticContact CH2-CG 3.85Å; W14-Y269 HydrophobicContact CH2-CG 3.85Å; W14-Y269 AromaticContact CZ3-CD2 3.96Å; W14-Y269 HydrophobicContact CZ3-CD2 3.96Å; W14-Y269 HydrophobicContact CZ3-CE2 4.16Å; W14-Y269 HydrophobicContact CZ3-CG 4.39Å
15N97.7Very high97Very high110 Ų11069.9 Ų69.959%0.58836%0.356SS*.Hα-helixtrans-59.4-46.8175.7-74-64.1000111.8T13 Y18 E19 P262T13-N15 PolarHBondContact O-N 3.49Å; T13-N15 VanDerWaalsContact O-N 3.13Å; N15-Y18 PolarHBondContact O-N 3.45Å; N15-E19 WeakPolarHBondContact O-CB 3.44Å; N15-E19 WeakPolarHBondContact O-CG 3.37Å; N15-E19 PolarHBondContact O-N 3.07Å; N15-P262 VanDerWaalsContact OD1-CG 3.31Å; N15-P262 WeakPolarHBondContact OD1-CG 3.31Å
16S97.6Very high96.7Very high85 Ų8571.5 Ų71.559%0.59437%0.368SS*.Hα-helixtrans-65.3-43.5-179.5-171.20000111.4T13 E19 D20T13-S16 WeakPolarHBondContact O-CB 3.47Å; T13-S16 PolarHBondContact O-N 3.43Å; S16-E19 PolarHBondContact O-N 3.45Å; S16-D20 WeakPolarHBondContact O-CB 3.37Å; S16-D20 PolarHBondContact O-N 3.11Å
17V97.6Very high96.5Very high22 Ų2274.2 Ų74.213%0.13339%0.386CS..Hα-helixtrans-63.3-43.6178.6177.50000110.8I8 T13 W14 D20 I21 L265I8-V17 HydrophobicContact CD1-CG1 4.39Å; I8-V17 HydrophobicContact CD1-CG2 4Å; I8-V17 HydrophobicContact CG1-CG2 4.06Å; I8-V17 HydrophobicContact CG2-CG2 4.03Å; T13-V17 PolarHBondContact O-N 3.44Å; T13-V17 VanDerWaalsContact O-N 3.12Å; W14-V17 PolarHBondContact O-N 2.98Å; V17-D20 PolarHBondContact O-N 3.07Å; V17-I21 HydrophobicContact CG1-CD1 4.42Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3Å; V17-I21 VanDerWaalsContact O-N 3.12Å; V17-L265 HydrophobicContact CG1-CD2 4.1Å
18Y98.1Very high96.5Very high11 Ų1170.8 Ų70.84%0.04337%0.372CS..Hα-helixtrans-64.7-43.9177.9176.7-108000112.4W14 N15 I21 R22 I259 Q260 P262 L265W14-Y18 VanDerWaalsContact O-CB 3.29Å; W14-Y18 WeakPolarHBondContact O-CB 3.36Å; W14-Y18 PolarHBondContact O-N 3.33Å; N15-Y18 PolarHBondContact O-N 3.45Å; Y18-I21 PolarHBondContact O-N 3.47Å; Y18-R22 VanDerWaalsContact CE1-CD 3.45Å; Y18-R22 HydrophobicContact CE1-CG 4.15Å; Y18-R22 HydrophobicContact CE2-CG 4.45Å; Y18-R22 WeakPolarHBondContact O-CG 3.37Å; Y18-R22 PolarHBondContact O-N 3.34Å; Y18-I259 HydrophobicContact CE2-CG2 4.19Å; Y18-I259 WeakPolarHBondContact CE2-O 3.32Å; Y18-I259 PolarHBondContact OH-O 3.47Å; Y18-Q260 VanDerWaalsContact OH-CA 3.31Å; Y18-Q260 WeakPolarHBondContact OH-CA 3.36Å; Y18-Q260 PolarHBondContact OH-O 2.84Å; Y18-P262 HydrophobicContact CD1-CG 3.84Å; Y18-P262 HydrophobicContact CG-CG 4.07Å; Y18-L265 HydrophobicContact CD2-CD2 4.42Å
19E97.8Very high96.5Very high72 Ų7273.5 Ų73.534%0.33639%0.39SS..Hα-helixtrans-65.4-37.7176.9-72.6-55.9133.600112.4N15 S16 I21 R22 Q23N15-E19 WeakPolarHBondContact O-CB 3.44Å; N15-E19 WeakPolarHBondContact O-CG 3.37Å; N15-E19 PolarHBondContact O-N 3.07Å; S16-E19 PolarHBondContact O-N 3.45Å; E19-I21 VanDerWaalsContact C-N 3.33Å; E19-I21 PolarHBondContact O-N 2.93Å; E19-R22 WeakPolarHBondContact O-CB 3.19Å; E19-R22 PolarHBondContact O-N 2.96Å; E19-R22 VanDerWaalsContact O-N 3.11Å; E19-R22 WeakPolarHBondContact OE1-CD 3.14Å; E19-R22 IonicContact OE1-CZ 3.31Å; E19-R22 IonicContact OE1-NH1 3.27Å; E19-R22 PolarHBondContact OE1-NH1 2.94Å; E19-R22 IonicContact OE2-CZ 2.81Å; E19-R22 IonicContact OE2-NE 3.47Å; E19-R22 IonicContact OE2-NH1 3.68Å; E19-R22 PolarHBondContact OE2-NH1 3.48Å; E19-Q23 WeakPolarHBondContact O-CG 3.36Å; E19-Q23 PolarHBondContact O-N 3.35Å
20D97.8Very high96.6Very high49 Ų4972.4 Ų72.426%0.26239%0.385SS..Hα-helixtrans-61.7-41174-176.229.7000111.5S16 V17 R22 Q23 Q24 R245S16-D20 WeakPolarHBondContact O-CB 3.37Å; S16-D20 PolarHBondContact O-N 3.11Å; V17-D20 PolarHBondContact O-N 3.07Å; D20-R22 VanDerWaalsContact C-N 3.32Å; D20-R22 PolarHBondContact O-N 3.45Å; D20-Q23 PolarHBondContact O-N 2.94Å; D20-Q24 WeakPolarHBondContact O-CB 3.48Å; D20-Q24 WeakPolarHBondContact O-CG 3.47Å; D20-Q24 PolarHBondContact O-N 3.42Å; D20-Q24 PolarHBondContact OD1-NE2 3.31Å; D20-R245 VanDerWaalsContact CG-NH2 3.26Å; D20-R245 IonicContact OD1-NH2 3.23Å; D20-R245 IonicContact OD2-CZ 2.63Å; D20-R245 IonicContact OD2-NH1 2.68Å; D20-R245 PolarHBondContact OD2-NH1 2.75Å; D20-R245 IonicContact OD2-NH2 2.73Å; D20-R245 PolarHBondContact OD2-NH2 2.92Å
21I97.9Very high96.7Very high0 Ų071.9 Ų71.90%038%0.38CS..Hα-helixtrans-62.3-40.2172.6-67.1172.1000111.3V17 Y18 E19 Q24 S25 R245 L248 L249 L265V17-I21 HydrophobicContact CG1-CD1 4.42Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3Å; V17-I21 VanDerWaalsContact O-N 3.12Å; Y18-I21 PolarHBondContact O-N 3.47Å; E19-I21 VanDerWaalsContact C-N 3.33Å; E19-I21 PolarHBondContact O-N 2.93Å; I21-Q24 PolarHBondContact O-N 2.98Å; I21-S25 PolarHBondContact O-N 2.92Å; I21-S25 PolarHBondContact O-OG 3.41Å; I21-R245 HydrophobicContact CD1-CB 4.38Å; I21-R245 HydrophobicContact CD1-CG 3.88Å; I21-R245 HydrophobicContact CG1-CG 3.87Å; I21-L248 HydrophobicContact CD1-CD2 4.18Å; I21-L248 HydrophobicContact CG2-CD2 3.98Å; I21-L248 HydrophobicContact CG2-CG 4.34Å; I21-L249 HydrophobicContact CG2-CD2 3.97Å; I21-L249 HydrophobicContact CG2-CG 4.39Å; I21-L265 HydrophobicContact CD1-CD1 4.24Å; I21-L265 HydrophobicContact CD1-CD2 3.75Å
22R96.8Very high96.8Very high129 Ų12967.9 Ų67.949%0.48736%0.36SS..Hα-helixtrans-62.5-44175.5-70.6179.367.1-164.82111.7Y18 E19 D20 Q24 S25Y18-R22 VanDerWaalsContact CE1-CD 3.45Å; Y18-R22 HydrophobicContact CE1-CG 4.15Å; Y18-R22 HydrophobicContact CE2-CG 4.45Å; Y18-R22 WeakPolarHBondContact O-CG 3.37Å; Y18-R22 PolarHBondContact O-N 3.34Å; E19-R22 WeakPolarHBondContact O-CB 3.19Å; E19-R22 PolarHBondContact O-N 2.96Å; E19-R22 VanDerWaalsContact O-N 3.11Å; E19-R22 WeakPolarHBondContact OE1-CD 3.14Å; E19-R22 IonicContact OE1-CZ 3.31Å; E19-R22 IonicContact OE1-NH1 3.27Å; E19-R22 PolarHBondContact OE1-NH1 2.94Å; E19-R22 IonicContact OE2-CZ 2.81Å; E19-R22 IonicContact OE2-NE 3.47Å; E19-R22 IonicContact OE2-NH1 3.68Å; E19-R22 PolarHBondContact OE2-NH1 3.48Å; D20-R22 VanDerWaalsContact C-N 3.32Å; D20-R22 PolarHBondContact O-N 3.45Å; R22-Q24 VanDerWaalsContact C-N 3.3Å; R22-Q24 PolarHBondContact O-N 3.47Å; R22-S25 WeakPolarHBondContact O-CB 3.5Å; R22-S25 PolarHBondContact O-N 3.03Å
23Q97.1Very high96.9Very high153 Ų15365.4 Ų65.472%0.71533%0.334SS*.Hα-helixtrans-65.1-33.9178.7-70.4174.11100112.5E19 D20E19-Q23 WeakPolarHBondContact O-CG 3.36Å; E19-Q23 PolarHBondContact O-N 3.35Å; D20-Q23 PolarHBondContact O-N 2.94Å
24Q97.4Very high97Very high102 Ų10268.3 Ų68.348%0.47734%0.342SS..Hα-helixtrans-85.6-9.7178.4-66.6-176.91800114D20 I21 R22 L249D20-Q24 WeakPolarHBondContact O-CB 3.48Å; D20-Q24 WeakPolarHBondContact O-CG 3.47Å; D20-Q24 PolarHBondContact O-N 3.42Å; D20-Q24 PolarHBondContact OD1-NE2 3.31Å; I21-Q24 PolarHBondContact O-N 2.98Å; R22-Q24 VanDerWaalsContact C-N 3.3Å; R22-Q24 PolarHBondContact O-N 3.47Å; Q24-L249 HydrophobicContact CB-CD1 4.43Å; Q24-L249 HydrophobicContact CB-CD2 3.86Å
25S95.9Very high97Very high25 Ų2572.2 Ų72.218%0.17536%0.36CS..SBendtrans-67.7134.7178.1-62.90000110I21 R22 R252I21-S25 PolarHBondContact O-N 2.92Å; I21-S25 PolarHBondContact O-OG 3.41Å; R22-S25 WeakPolarHBondContact O-CB 3.5Å; R22-S25 PolarHBondContact O-N 3.03Å; S25-R252 WeakPolarHBondContact OG-CD 3.33Å; S25-R252 PolarHBondContact OG-NH1 3.44Å
26C89.1Confident97Very high37 Ų3772.5 Ų72.525%0.2537%0.368CS..  trans-70.4138.6178.958.50000111.8L28 R253C26-L28 HydrophobicContact CB-CD2 4.44Å; C26-L28 HydrophobicContact CB-CG 4.22Å; C26-R253 VanDerWaalsContact SG-CA 3.55Å
27E92.3Very high97Very high194 Ų19474.5 Ų74.591%0.90737%0.368SS*.  trans-94.2109.1166.9-64.3-170.7170.400109
28L96.6Very high97Very high54 Ų5473.5 Ų73.528%0.28336%0.362SS..  trans-112.5158-179.7-60174.3000110.8C26 F50 H52 R253C26-L28 HydrophobicContact CB-CD2 4.44Å; C26-L28 HydrophobicContact CB-CG 4.22Å; L28-F50 HydrophobicContact CB-CB 4.34Å; L28-F50 HydrophobicContact CB-CD1 3.59Å; L28-F50 HydrophobicContact CB-CD2 4.17Å; L28-F50 HydrophobicContact CB-CE1 3.8Å; L28-F50 HydrophobicContact CB-CE2 4.33Å; L28-F50 HydrophobicContact CB-CG 3.8Å; L28-F50 HydrophobicContact CB-CZ 4.15Å; L28-F50 HydrophobicContact CD1-CD2 4.07Å; L28-F50 HydrophobicContact CD1-CE2 4.22Å; L28-F50 HydrophobicContact CD1-CG 4.43Å; L28-F50 VanDerWaalsContact O-CD1 3.27Å; L28-F50 WeakPolarHBondContact O-CD1 3.43Å; L28-F50 WeakPolarHBondContact O-CE1 3.46Å; L28-H52 VanDerWaalsContact CD1-NE2 3.33Å; L28-H52 WeakPolarHBondContact CD1-NE2 3.3Å; L28-R253 VanDerWaalsContact CD1-O 3.25Å; L28-R253 WeakPolarHBondContact CD1-O 3.47Å
29P97.7Very high97Very high70 Ų7080.8 Ų80.846%0.45539%0.394SS..  trans-62.4141-177.3-24.235.3000113.9K31 F50 D51P29-K31 HydrophobicContact CB-CG 4.32Å; P29-F50 CarbonylContact O-C 3.57Å; P29-F50 WeakPolarHBondContact O-CA 3.48Å; P29-D51 WeakPolarHBondContact CB-OD2 3.49Å; P29-D51 PolarHBondContact O-N 3.48Å
30C97.9Very high97Very high18 Ų1882.3 Ų82.312%0.12241%0.408CS..  trans-126.338.6172.6-63.10000111.2V32 A33 K34 P49 F50 D51 M256C30-V32 PolarHBondContact O-N 3.46Å; C30-A33 HydrophobicContact CB-CB 4.37Å; C30-A33 PolarHBondContact O-N 3.23Å; C30-K34 WeakPolarHBondContact O-CG 3.33Å; C30-K34 PolarHBondContact O-N 3.39Å; C30-P49 PolarHBondContact SG-O 2.97Å; C30-F50 WeakPolarHBondContact SG-CD1 3.36Å; C30-D51 VanDerWaalsContact C-OD1 3.29Å; C30-M256 WeakPolarHBondContact SG-CE 3.39Å
31K98.3Very high97.1Very high146 Ų14681.8 Ų81.864%0.63540%0.402SS*.THydrogen-bonded Turntrans-58.7-45.8-169.5-64.2176.8-178.7177.20111.9P29 A33 K34 F35 D51P29-K31 HydrophobicContact CB-CG 4.32Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 3.12Å; K31-K34 PolarHBondContact O-N 3.09Å; K31-K34 VanDerWaalsContact O-N 3.09Å; K31-F35 PolarHBondContact O-N 3.4Å; K31-D51 WeakPolarHBondContact CB-OD2 3.27Å; K31-D51 VanDerWaalsContact N-CG 3.26Å; K31-D51 PolarHBondContact N-OD1 3.08Å; K31-D51 PolarHBondContact N-OD2 3.48Å
32V98.6Very high97.1Very high25 Ų2582.9 Ų82.915%0.15241%0.408CS..G310 helixtrans-63.3-41.4-176.7-179.20000110.8C30 K34 F35 N38 D51 Y64C30-V32 PolarHBondContact O-N 3.46Å; V32-K34 PolarHBondContact O-N 2.81Å; V32-F35 HydrophobicContact CB-CD2 4.48Å; V32-F35 HydrophobicContact CB-CE2 4.28Å; V32-F35 HydrophobicContact CG1-CD2 4.23Å; V32-F35 HydrophobicContact CG1-CE2 4.27Å; V32-F35 HydrophobicContact CG2-CE2 4.18Å; V32-F35 PolarHBondContact O-N 3.27Å; V32-N38 PolarHBondContact O-ND2 2.95Å; V32-D51 PolarHBondContact N-OD1 2.81Å; V32-Y64 HydrophobicContact CG1-CD2 3.82Å; V32-Y64 HydrophobicContact CG1-CG 4.48Å
33A98.4Very high97.2Very high2 Ų278.9 Ų78.92%0.01739%0.393CS..G310 helixtrans-63.1-23.7178.400000113.6C30 K31 N42 P49 Y64C30-A33 HydrophobicContact CB-CB 4.37Å; C30-A33 PolarHBondContact O-N 3.23Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 3.12Å; A33-N42 PolarHBondContact O-ND2 2.98Å; A33-P49 HydrophobicContact CB-CG 4.38Å; A33-Y64 VanDerWaalsContact CA-CE2 3.49Å; A33-Y64 HydrophobicContact CB-CE2 3.68Å; A33-Y64 WeakPolarHBondContact CB-OH 3.39Å
34K98Very high97.2Very high115 Ų11574.9 Ų74.950%0.537%0.372SS..G310 helixtrans-95-0.8-179.1-58.8-48.5-175-163.70113.9C30 K31 V32 R45 S48C30-K34 WeakPolarHBondContact O-CG 3.33Å; C30-K34 PolarHBondContact O-N 3.39Å; K31-K34 PolarHBondContact O-N 3.09Å; K31-K34 VanDerWaalsContact O-N 3.09Å; V32-K34 PolarHBondContact O-N 2.81Å; K34-R45 PolarHBondContact NZ-O 2.83Å; K34-S48 PolarHBondContact NZ-OG 3.31Å
35F98.4Very high97.2Very high97 Ų9780.9 Ų80.943%0.42539%0.39SS..SBendtrans-60.5142.7174-66.1-29.4000111.5K31 V32 E37 N38 K39K31-F35 PolarHBondContact O-N 3.4Å; V32-F35 HydrophobicContact CB-CD2 4.48Å; V32-F35 HydrophobicContact CB-CE2 4.28Å; V32-F35 HydrophobicContact CG1-CD2 4.23Å; V32-F35 HydrophobicContact CG1-CE2 4.27Å; V32-F35 HydrophobicContact CG2-CE2 4.18Å; V32-F35 PolarHBondContact O-N 3.27Å; F35-E37 VanDerWaalsContact C-N 3.26Å; F35-E37 HydrophobicContact CB-CG 4.1Å; F35-E37 PolarHBondContact O-N 2.8Å; F35-N38 PolarHBondContact O-N 2.7Å; F35-K39 PolarHBondContact O-N 3.38Å
36P98.1Very high97.3Very high116 Ų11685.6 Ų85.675%0.75341%0.413SS*.G310 helixtrans-54.7-39.8-176.8-28.135.7000113.8N38 K39P36-N38 VanDerWaalsContact C-N 3.25Å; P36-N38 PolarHBondContact O-N 3.15Å; P36-K39 VanDerWaalsContact O-CB 3.28Å; P36-K39 WeakPolarHBondContact O-CB 3.17Å; P36-K39 PolarHBondContact O-N 3.2Å
37E97.6Very high97.8Very high128 Ų12884.3 Ų84.360%0.59840%0.404SS*.G310 helixtrans-63.3-26.417761.5-166-119.500113.9F35F35-E37 VanDerWaalsContact C-N 3.26Å; F35-E37 HydrophobicContact CB-CG 4.1Å; F35-E37 PolarHBondContact O-N 2.8Å
38N98.5Very high98.1Very high1 Ų175 Ų751%0.00536%0.361CS..G310 helixtrans-91.5-4-179.2-71.1-27.5000113.2V32 F35 P36 T40 R41 N42 N62 Y64V32-N38 PolarHBondContact O-ND2 2.95Å; F35-N38 PolarHBondContact O-N 2.7Å; P36-N38 VanDerWaalsContact C-N 3.25Å; P36-N38 PolarHBondContact O-N 3.15Å; N38-T40 VanDerWaalsContact C-N 3.27Å; N38-T40 PolarHBondContact O-N 2.95Å; N38-R41 PolarHBondContact O-N 3.37Å; N38-N42 PolarHBondContact O-ND2 2.97Å; N38-N62 PolarHBondContact OD1-ND2 3.29Å; N38-N62 PolarHBondContact OD1-OD1 3.19Å; N38-Y64 HydrophobicContact CB-CD1 3.59Å; N38-Y64 HydrophobicContact CB-CE1 3.87Å; N38-Y64 HydrophobicContact CB-CG 4.09Å; N38-Y64 VanDerWaalsContact CG-CG 3.47Å; N38-Y64 WeakPolarHBondContact ND2-CB 3.48Å; N38-Y64 WeakPolarHBondContact OD1-CB 3.37Å; N38-Y64 WeakPolarHBondContact OD1-CD1 3.22Å
39K97.8Very high98.2Very high164 Ų16472.5 Ų72.571%0.71335%0.348SS*.G310 helixtrans-56.3-41.1-179.2-174.1-178.8177.5-174.80112.2F35 P36 R41 N42F35-K39 PolarHBondContact O-N 3.38Å; P36-K39 VanDerWaalsContact O-CB 3.28Å; P36-K39 WeakPolarHBondContact O-CB 3.17Å; P36-K39 PolarHBondContact O-N 3.2Å; K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 3.32Å; K39-N42 PolarHBondContact O-N 2.98Å
40T97.8Very high98.2Very high103 Ų10369.5 Ų69.563%0.63233%0.327SS*.G310 helixtrans-78-11.8-179.2550000113.6N38 L86N38-T40 VanDerWaalsContact C-N 3.27Å; N38-T40 PolarHBondContact O-N 2.95Å; T40-L86 VanDerWaalsContact O-CD1 3.3Å; T40-L86 WeakPolarHBondContact O-CD1 3.41Å
41R98.6Very high98.2Very high38 Ų3870.6 Ų70.614%0.14333%0.332CS..G310 helixtrans-88.8-5.5175.3-63.3-175.7174.1-152.2-2.2112.8N38 K39 N62 Y64 Q83 T89 H92N38-R41 PolarHBondContact O-N 3.37Å; K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 3.32Å; R41-N62 PolarHBondContact NH1-O 2.87Å; R41-Y64 HydrophobicContact CB-CD1 3.8Å; R41-Y64 HydrophobicContact CB-CE1 3.87Å; R41-Y64 WeakPolarHBondContact CD-O 3.45Å; R41-Y64 HydrophobicContact CG-CD1 4.46Å; R41-Y64 PolarHBondContact NH1-O 3.23Å; R41-Q83 PolarHBondContact O-NE2 2.9Å; R41-T89 HydrophobicContact CB-CG2 4.31Å; R41-T89 HydrophobicContact CG-CG2 4.3Å; R41-H92 PolarHBondContact NH2-NE2 2.97Å; R41-H92 VanDerWaalsContact NH2-NE2 3.15Å
42N98.8Very high98.3Very high24 Ų2469.2 Ų69.213%0.12833%0.328CS..  trans-106.1121.9-179.8-70.7-56000111.5A33 N38 K39 Y64 N66A33-N42 PolarHBondContact O-ND2 2.98Å; N38-N42 PolarHBondContact O-ND2 2.97Å; K39-N42 PolarHBondContact O-N 2.98Å; N42-Y64 PolarHBondContact ND2-OH 3.22Å; N42-Y64 PolarHBondContact OD1-OH 3.32Å; N42-N66 PolarHBondContact OD1-ND2 2.97Å
43R98.5Very high98.3Very high44 Ų4468.4 Ų68.417%0.16632%0.323CS..SBendtrans-69-37.4176.2179.1174.5-74.7-78.60.4112.2G84 P85 L86 I117 K118 S214R43-G84 PolarHBondContact NE-O 3.27Å; R43-G84 PolarHBondContact NH2-O 2.86Å; R43-P85 PolarHBondContact NH2-O 3.04Å; R43-L86 HydrophobicContact CB-CD2 4.02Å; R43-L86 HydrophobicContact CB-CG 4.36Å; R43-L86 HydrophobicContact CG-CD2 4.22Å; R43-I117 PolarHBondContact NH1-O 3.31Å; R43-K118 VanDerWaalsContact CZ-O 3.27Å; R43-K118 PolarHBondContact NE-O 3.32Å; R43-S214 WeakPolarHBondContact CD-O 3.35Å
44Y98.2Very high98.3Very high69 Ų6970.5 Ų70.527%0.27133%0.331SS..  trans-126.9135.4-177.9-62.2-68.3000110.3D46 S214 A215Y44-D46 VanDerWaalsContact C-N 3.27Å; Y44-D46 PolarHBondContact O-N 2.84Å; Y44-S214 PolarHBondContact OH-OG 2.77Å; Y44-A215 HydrophobicContact CD2-CB 3.65Å; Y44-A215 HydrophobicContact CE2-CB 3.72Å
45R97.4Very high98.3Very high229 Ų22965.4 Ų65.486%0.86431%0.309SS*.THydrogen-bonded Turntrans-68-31.3-176.5-171.4-177.576.7174.93112.3K34K34-R45 PolarHBondContact NZ-O 2.83Å
46D97.2Very high98.3Very high124 Ų12463.2 Ų63.266%0.66331%0.305SS*.THydrogen-bonded Turntrans-95.2-2-17458.9-33.9000113.6Y44Y44-D46 VanDerWaalsContact C-N 3.27Å; Y44-D46 PolarHBondContact O-N 2.84Å
47V98.4Very high98.4Very high9 Ų958.1 Ų58.16%0.05527%0.271CS..  trans-119.8112.3176.6-174.40000109.7N66 A215 I217V47-N66 PolarHBondContact O-ND2 2.6Å; V47-A215 HydrophobicContact CG1-CB 4.44Å; V47-A215 HydrophobicContact CG2-CB 4.28Å; V47-I217 HydrophobicContact CG1-CD1 3.96Å; V47-I217 HydrophobicContact CG1-CG2 3.85Å; V47-I217 HydrophobicContact CG2-CD1 3.7Å
48S98.6Very high98.4Very high0 Ų059 Ų590%028%0.275CS..  trans-139.7148.2-177.2-62.70000110.9K34 M256K34-S48 PolarHBondContact NZ-OG 3.31Å; S48-M256 PolarHBondContact N-SD 2.85Å; S48-M256 VanDerWaalsContact N-SD 3.41Å; S48-M256 WeakPolarHBondContact O-CE 3.19Å
49P98.8Very high98.1Very high1 Ų164.1 Ų64.11%0.00630%0.302CS..BIsolated β-bridgetrans-70149.3171.933.4-36.5000109.9C30 A33 R54 Y64 A67 S68C30-P49 PolarHBondContact SG-O 2.97Å; A33-P49 HydrophobicContact CB-CG 4.38Å; P49-R54 HydrophobicContact CB-CB 3.93Å; P49-R54 HydrophobicContact CG-CB 4.16Å; P49-Y64 WeakPolarHBondContact CD-OH 3.3Å; P49-Y64 HydrophobicContact CG-CE2 3.86Å; P49-A67 WeakPolarHBondContact CB-O 3.44Å; P49-S68 VanDerWaalsContact CB-OG 3.3Å; P49-S68 WeakPolarHBondContact CB-OG 3.32Å
50F98.8Very high97.8Very high6 Ų658 Ų583%0.02629%0.286CS..  trans-72.8148.9167.9-60.2-50.9000110.4L28 P29 C30 H52 S53 R54 R252 R253 M256L28-F50 HydrophobicContact CB-CB 4.34Å; L28-F50 HydrophobicContact CB-CD1 3.59Å; L28-F50 HydrophobicContact CB-CD2 4.17Å; L28-F50 HydrophobicContact CB-CE1 3.8Å; L28-F50 HydrophobicContact CB-CE2 4.33Å; L28-F50 HydrophobicContact CB-CG 3.8Å; L28-F50 HydrophobicContact CB-CZ 4.15Å; L28-F50 HydrophobicContact CD1-CD2 4.07Å; L28-F50 HydrophobicContact CD1-CE2 4.22Å; L28-F50 HydrophobicContact CD1-CG 4.43Å; L28-F50 VanDerWaalsContact O-CD1 3.27Å; L28-F50 WeakPolarHBondContact O-CD1 3.43Å; L28-F50 WeakPolarHBondContact O-CE1 3.46Å; P29-F50 CarbonylContact O-C 3.57Å; P29-F50 WeakPolarHBondContact O-CA 3.48Å; C30-F50 WeakPolarHBondContact SG-CD1 3.36Å; F50-H52 VanDerWaalsContact C-N 3.26Å; F50-H52 PolarHBondContact O-N 3.04Å; F50-S53 PolarHBondContact O-N 3.15Å; F50-R54 WeakPolarHBondContact O-CB 3.45Å; F50-R54 PolarHBondContact O-N 3.41Å; F50-R252 WeakPolarHBondContact CE2-O 3.37Å; F50-R253 WeakPolarHBondContact CD2-O 3.27Å; F50-M256 HydrophobicContact CD1-CE 4.32Å; F50-M256 HydrophobicContact CE1-CB 4.18Å; F50-M256 HydrophobicContact CE1-CE 3.81Å; F50-M256 HydrophobicContact CE2-CB 4.4Å; F50-M256 HydrophobicContact CZ-CB 3.75Å; F50-M256 HydrophobicContact CZ-CE 4.48Å
51D98.7Very high97.5Very high41 Ų4160.2 Ų60.222%0.21930%0.302CS..THydrogen-bonded Turntrans-62.4-34.1-175.1-64.1-37.9000112.4P29 C30 K31 V32P29-D51 WeakPolarHBondContact CB-OD2 3.49Å; P29-D51 PolarHBondContact O-N 3.48Å; C30-D51 VanDerWaalsContact C-OD1 3.29Å; K31-D51 WeakPolarHBondContact CB-OD2 3.27Å; K31-D51 VanDerWaalsContact N-CG 3.26Å; K31-D51 PolarHBondContact N-OD1 3.08Å; K31-D51 PolarHBondContact N-OD2 3.48Å; V32-D51 PolarHBondContact N-OD1 2.81Å
52H98.6Very high97.5Very high118 Ų11859.6 Ų59.655%0.54630%0.302SS..THydrogen-bonded Turntrans-76.3-25.1-175.577.694000114.1L28 F50 R253L28-H52 VanDerWaalsContact CD1-NE2 3.33Å; L28-H52 WeakPolarHBondContact CD1-NE2 3.3Å; F50-H52 VanDerWaalsContact C-N 3.26Å; F50-H52 PolarHBondContact O-N 3.04Å; H52-R253 PolarHBondContact CE1-O 3.26Å; H52-R253 VanDerWaalsContact CE1-O 3.27Å; H52-R253 PolarHBondContact NE2-O 2.81Å
53S98.6Very high97.4Very high8 Ų861 Ų616%0.05631%0.31CS..THydrogen-bonded Turntrans-116.6-0.8-173.759.70000113.2F50 S68 L69 H254F50-S53 PolarHBondContact O-N 3.15Å; S53-S68 CarbonylContact O-C 3.57Å; S53-S68 WeakPolarHBondContact O-CA 3.45Å; S53-L69 PolarHBondContact O-N 3.14Å; S53-H254 WeakPolarHBondContact CB-O 3.41Å; S53-H254 PolarHBondContact OG-O 3.03Å
54R98.8Very high97.5Very high45 Ų4559 Ų5917%0.1730%0.302CS..EExtended strand (participates in β ladder)trans-62.7149.8178.873.3-175.8-176.294.3-3.5111.1P49 F50 C56 D63 A67P49-R54 HydrophobicContact CB-CB 3.93Å; P49-R54 HydrophobicContact CG-CB 4.16Å; F50-R54 WeakPolarHBondContact O-CB 3.45Å; F50-R54 PolarHBondContact O-N 3.41Å; R54-C56 PolarHBondContact NH1-SG 3.04Å; R54-D63 IonicContact CZ-OD1 2.65Å; R54-D63 IonicContact CZ-OD2 3.57Å; R54-D63 VanDerWaalsContact NH1-CG 3.26Å; R54-D63 IonicContact NH1-OD1 3.25Å; R54-D63 PolarHBondContact NH1-OD1 3.42Å; R54-D63 IonicContact NH1-OD2 2.65Å; R54-D63 PolarHBondContact NH1-OD2 3.01Å; R54-D63 IonicContact NH2-OD1 3.78Å; R54-D63 PolarHBondContact NH2-OD1 3.01Å; R54-D63 IonicContact NH2-OD2 3.03Å; R54-D63 PolarHBondContact NH2-OD2 3.41Å; R54-A67 VanDerWaalsContact CA-O 3.28Å; R54-A67 WeakPolarHBondContact CA-O 3.4Å
55I98.9Very high97.5Very high8 Ų856.2 Ų56.24%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-79.6140.8165.4-56.1-61.5000109.2I65 A67 L69 I80 M96 Q100I55-I65 HydrophobicContact CB-CG2 4.1Å; I55-I65 HydrophobicContact CG2-CG2 4.36Å; I55-A67 HydrophobicContact CB-CB 4.19Å; I55-A67 HydrophobicContact CG1-CB 4.01Å; I55-A67 PolarHBondContact N-O 3.42Å; I55-A67 VanDerWaalsContact N-O 3.11Å; I55-L69 HydrophobicContact CD1-CB 3.88Å; I55-I80 HydrophobicContact CD1-CD1 4.16Å; I55-I80 HydrophobicContact CD1-CG1 4.02Å; I55-I80 HydrophobicContact CG1-CD1 4.44Å; I55-I80 HydrophobicContact CG1-CG1 4.26Å; I55-I80 HydrophobicContact CG1-CG2 4.13Å; I55-M96 HydrophobicContact CB-SD 4.31Å; I55-M96 HydrophobicContact CG1-SD 4.26Å; I55-M96 HydrophobicContact CG2-CG 3.88Å; I55-M96 HydrophobicContact CG2-SD 4.24Å; I55-Q100 HydrophobicContact CG2-CG 4.25Å
56C98.8Very high97.6Very high52 Ų5245.4 Ų45.435%0.35125%0.251SS..EExtended strand (participates in β ladder)trans-114.6124.1176.2-53.70000109.1R54 D63R54-C56 PolarHBondContact NH1-SG 3.04Å; C56-D63 WeakPolarHBondContact CA-O 3.44Å; C56-D63 HydrophobicContact CB-CB 4.22Å
57L98.7Very high97.6Very high8 Ų839.5 Ų39.54%0.04222%0.219CC..  trans-75.8154.7174.7-58.2176000111.1D63 I65 H92 E95 M96 E99L57-D63 PolarHBondContact N-O 3.33Å; L57-D63 WeakPolarHBondContact O-CB 3.18Å; L57-I65 HydrophobicContact CD1-CB 4.13Å; L57-I65 HydrophobicContact CD1-CG2 4.49Å; L57-I65 HydrophobicContact CD2-CB 4.44Å; L57-I65 HydrophobicContact CD2-CG2 4.05Å; L57-I65 HydrophobicContact CG-CB 4.24Å; L57-I65 HydrophobicContact CG-CG2 4.05Å; L57-H92 HydrophobicContact CD1-CB 3.84Å; L57-E95 HydrophobicContact CD2-CB 4.38Å; L57-E95 HydrophobicContact CD2-CG 4.07Å; L57-M96 HydrophobicContact CD2-CB 3.91Å; L57-E99 WeakPolarHBondContact CA-OE2 3.46Å
58Q97.2Very high97.7Very high146 Ų14639.1 Ų39.168%0.68222%0.217SC*.SBendtrans-117.9-18.3-172.4-53.9174.534.900114.8E95 E99Q58-E95 PolarHBondContact N-OE1 3.36Å; Q58-E99 WeakPolarHBondContact CA-OE1 3.35Å; Q58-E99 WeakPolarHBondContact CB-OE1 3.43Å; Q58-E99 PolarHBondContact N-OE1 3.31Å; Q58-E99 PolarHBondContact N-OE2 3.3Å
59L92.3Very high97.7Very high109 Ų10941.3 Ų41.357%0.57123%0.228SC*.SBendtrans-84.4-37.3-175.5-57.8177000113E95 F138L59-E95 WeakPolarHBondContact CB-OE1 3.45Å; L59-E95 HydrophobicContact CD1-CG 3.89Å; L59-E95 HydrophobicContact CG-CG 4.18Å; L59-E95 WeakPolarHBondContact CG-OE1 3.44Å; L59-E95 PolarHBondContact N-OE1 3.28Å; L59-F138 HydrophobicContact CD1-CE2 3.89Å; L59-F138 HydrophobicContact CD1-CZ 4.29Å
60G91.3Very high97.7Very high37 Ų3741.2 Ų41.238%0.38123%0.228SC..SBendtrans-93.3166-173.100000115.2N62G60-N62 PolarHBondContact O-N 3.41Å
61P92.8Very high97.6Very high149 Ų14942.5 Ų42.597%0.96824%0.236SC*.SBendtrans-70.2-17.3175.430.1-36.1000113.4
62N97.6Very high97.4Very high24 Ų2441.1 Ų41.113%0.12823%0.231CC..  trans-118.6108.4177.4179.3-14.3000109.1N38 R41 G60 Y64N38-N62 PolarHBondContact OD1-ND2 3.29Å; N38-N62 PolarHBondContact OD1-OD1 3.19Å; R41-N62 PolarHBondContact NH1-O 2.87Å; G60-N62 PolarHBondContact O-N 3.41Å; N62-Y64 PolarHBondContact O-N 3.16Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.19Å; N62-Y64 PolarHBondContact OD1-N 3.41Å
63D98.4Very high97.1Very high55 Ų5543.1 Ų43.129%0.29424%0.24SC..  trans-74.1-1-175.977.4-0.9000114.1R54 C56 L57R54-D63 IonicContact CZ-OD1 2.65Å; R54-D63 IonicContact CZ-OD2 3.57Å; R54-D63 VanDerWaalsContact NH1-CG 3.26Å; R54-D63 IonicContact NH1-OD1 3.25Å; R54-D63 PolarHBondContact NH1-OD1 3.42Å; R54-D63 IonicContact NH1-OD2 2.65Å; R54-D63 PolarHBondContact NH1-OD2 3.01Å; R54-D63 IonicContact NH2-OD1 3.78Å; R54-D63 PolarHBondContact NH2-OD1 3.01Å; R54-D63 IonicContact NH2-OD2 3.03Å; R54-D63 PolarHBondContact NH2-OD2 3.41Å; C56-D63 WeakPolarHBondContact CA-O 3.44Å; C56-D63 HydrophobicContact CB-CB 4.22Å; L57-D63 PolarHBondContact N-O 3.33Å; L57-D63 WeakPolarHBondContact O-CB 3.18Å
64Y98.8Very high96.9Very high1 Ų148 Ų480%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-83.1126.9-168.9-179-103.4000113.2V32 A33 N38 R41 N42 P49 N62V32-Y64 HydrophobicContact CG1-CD2 3.82Å; V32-Y64 HydrophobicContact CG1-CG 4.48Å; A33-Y64 VanDerWaalsContact CA-CE2 3.49Å; A33-Y64 HydrophobicContact CB-CE2 3.68Å; A33-Y64 WeakPolarHBondContact CB-OH 3.39Å; N38-Y64 HydrophobicContact CB-CD1 3.59Å; N38-Y64 HydrophobicContact CB-CE1 3.87Å; N38-Y64 HydrophobicContact CB-CG 4.09Å; N38-Y64 VanDerWaalsContact CG-CG 3.47Å; N38-Y64 WeakPolarHBondContact ND2-CB 3.48Å; N38-Y64 WeakPolarHBondContact OD1-CB 3.37Å; N38-Y64 WeakPolarHBondContact OD1-CD1 3.22Å; R41-Y64 HydrophobicContact CB-CD1 3.8Å; R41-Y64 HydrophobicContact CB-CE1 3.87Å; R41-Y64 WeakPolarHBondContact CD-O 3.45Å; R41-Y64 HydrophobicContact CG-CD1 4.46Å; R41-Y64 PolarHBondContact NH1-O 3.23Å; N42-Y64 PolarHBondContact ND2-OH 3.22Å; N42-Y64 PolarHBondContact OD1-OH 3.32Å; P49-Y64 WeakPolarHBondContact CD-OH 3.3Å; P49-Y64 HydrophobicContact CG-CE2 3.86Å; N62-Y64 PolarHBondContact O-N 3.16Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.19Å; N62-Y64 PolarHBondContact OD1-N 3.41Å
65I98.9Very high96.7Very high10 Ų1046.1 Ų46.15%0.05126%0.256CS..EExtended strand (participates in β ladder)trans-134.7144.4162.1-174.3165.9000109.3I55 L57 A67 H92 M96I55-I65 HydrophobicContact CB-CG2 4.1Å; I55-I65 HydrophobicContact CG2-CG2 4.36Å; L57-I65 HydrophobicContact CD1-CB 4.13Å; L57-I65 HydrophobicContact CD1-CG2 4.49Å; L57-I65 HydrophobicContact CD2-CB 4.44Å; L57-I65 HydrophobicContact CD2-CG2 4.05Å; L57-I65 HydrophobicContact CG-CB 4.24Å; L57-I65 HydrophobicContact CG-CG2 4.05Å; I65-A67 HydrophobicContact CG1-CB 4.45Å; I65-A67 HydrophobicContact CG2-CB 4.13Å; I65-A67 PolarHBondContact O-N 2.86Å; I65-H92 HydrophobicContact CD1-CB 4.25Å; I65-H92 WeakPolarHBondContact CD1-O 3.41Å; I65-M96 HydrophobicContact CD1-CB 4.11Å; I65-M96 HydrophobicContact CD1-CE 4.44Å; I65-M96 HydrophobicContact CD1-SD 3.99Å; I65-M96 HydrophobicContact CG2-SD 4.35Å
66N98.9Very high96.5Very high3 Ų353.8 Ų53.82%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-77.472.3175.7-170.3-37.7000110.9N42 V47 T82 Q83 R255N42-N66 PolarHBondContact OD1-ND2 2.97Å; V47-N66 PolarHBondContact O-ND2 2.6Å; N66-T82 WeakPolarHBondContact O-CA 3.5Å; N66-T82 PolarHBondContact O-OG1 3.31Å; N66-Q83 HydrophobicContact CB-CG 4.1Å; N66-Q83 PolarHBondContact ND2-OE1 2.91Å; N66-Q83 PolarHBondContact O-N 3.17Å; N66-R255 PolarHBondContact OD1-NH1 2.86Å; N66-R255 PolarHBondContact OD1-NH2 2.9Å
67A98.9Very high96.3Very high0 Ų053 Ų530%028%0.282CS..EExtended strand (participates in β ladder)trans-139.5148.9178.200000110.2P49 R54 I55 I65 I80 L81 M96P49-A67 WeakPolarHBondContact CB-O 3.44Å; R54-A67 VanDerWaalsContact CA-O 3.28Å; R54-A67 WeakPolarHBondContact CA-O 3.4Å; I55-A67 HydrophobicContact CB-CB 4.19Å; I55-A67 HydrophobicContact CG1-CB 4.01Å; I55-A67 PolarHBondContact N-O 3.42Å; I55-A67 VanDerWaalsContact N-O 3.11Å; I65-A67 HydrophobicContact CG1-CB 4.45Å; I65-A67 HydrophobicContact CG2-CB 4.13Å; I65-A67 PolarHBondContact O-N 2.86Å; A67-I80 HydrophobicContact CB-CG2 4Å; A67-L81 CarbonylContact C-O 3.55Å; A67-L81 WeakPolarHBondContact CA-O 3.43Å; A67-M96 HydrophobicContact CB-CE 4.48Å; A67-M96 HydrophobicContact CB-SD 3.49Å; A67-M96 WeakPolarHBondContact CB-SD 3.33Å
68S98.9Very high96.3Very high0 Ų058 Ų580%030%0.303CS..EExtended strand (participates in β ladder)trans-131132.6179.1-52.40000110.6P49 S53 I80 L81 R255P49-S68 VanDerWaalsContact CB-OG 3.3Å; P49-S68 WeakPolarHBondContact CB-OG 3.32Å; S53-S68 CarbonylContact O-C 3.57Å; S53-S68 WeakPolarHBondContact O-CA 3.45Å; S68-I80 WeakPolarHBondContact O-CA 3.13Å; S68-L81 PolarHBondContact N-O 3.41Å; S68-L81 PolarHBondContact O-N 3.41Å; S68-R255 PolarHBondContact OG-NH1 2.96Å
69L98.9Very high96.4Very high46 Ų4651 Ų5124%0.24127%0.27CS..EExtended strand (participates in β ladder)trans-77.1118.8167.4-176.663.2000109.2S53 I55 K78 Y79 I80 P208 H254S53-L69 PolarHBondContact O-N 3.14Å; I55-L69 HydrophobicContact CD1-CB 3.88Å; L69-K78 HydrophobicContact CD1-CB 4.23Å; L69-Y79 WeakPolarHBondContact CA-O 3.39Å; L69-I80 HydrophobicContact CD1-CG1 4.16Å; L69-P208 HydrophobicContact CD1-CB 4.19Å; L69-P208 HydrophobicContact CD1-CG 3.74Å; L69-H254 PolarHBondContact O-CD2 3.12Å; L69-H254 VanDerWaalsContact O-CD2 3.3Å
70I98.5Very high96.7Very high0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-102.6122.6171.8-52.1-166.8000107.8K78 Y79 L81 M251 H254 R255 L258I70-K78 WeakPolarHBondContact O-CA 3.45Å; I70-Y79 HydrophobicContact CB-CD2 4.42Å; I70-Y79 PolarHBondContact N-O 2.92Å; I70-Y79 PolarHBondContact O-N 3.22Å; I70-L81 HydrophobicContact CD1-CB 4.22Å; I70-L81 HydrophobicContact CD1-CD1 3.62Å; I70-L81 HydrophobicContact CD1-CD2 3.68Å; I70-L81 HydrophobicContact CD1-CG 4.03Å; I70-L81 HydrophobicContact CG1-CD1 4.07Å; I70-M251 HydrophobicContact CG2-CB 4.28Å; I70-M251 HydrophobicContact CG2-CE 4.2Å; I70-M251 HydrophobicContact CG2-CG 4.19Å; I70-H254 HydrophobicContact CB-CB 4.17Å; I70-H254 HydrophobicContact CG1-CB 3.88Å; I70-H254 HydrophobicContact CG2-CB 4.16Å; I70-R255 HydrophobicContact CD1-CB 4.24Å; I70-L258 HydrophobicContact CD1-CD1 3.65Å; I70-L258 HydrophobicContact CD1-CD2 4.4Å
71T96.8Very high97.1Very high32 Ų3244.1 Ų44.120%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-112113.3177.2-56.50000109.1E73 K78 H254T71-E73 HydrophobicContact CG2-CG 3.81Å; T71-E73 PolarHBondContact O-N 3.27Å; T71-K78 HydrophobicContact CG2-CG 4.16Å; T71-H254 PolarHBondContact O-CE1 3Å
72A94.6Very high97.4Very high13 Ų1337.1 Ų37.111%0.10718%0.18CC..EExtended strand (participates in β ladder)trans-90.686.9166.700000107.7E74 A75 Q76 R77 T228A72-E74 PolarHBondContact O-N 2.96Å; A72-A75 HydrophobicContact CB-CB 3.84Å; A72-A75 CarbonylContact O-C 3.56Å; A72-A75 PolarHBondContact O-N 3.05Å; A72-Q76 PolarHBondContact O-N 3.42Å; A72-R77 PolarHBondContact N-O 2.86Å; A72-R77 PolarHBondContact O-N 3.12Å; A72-T228 HydrophobicContact CB-CG2 3.7Å
73E93.3Very high97.4Very high159 Ų15936.3 Ų36.374%0.74318%0.175SC*.THydrogen-bonded Turntrans-56.7-52.3-169.2-67.6-173.7170.200112.8T71 A75 Q76T71-E73 HydrophobicContact CG2-CG 3.81Å; T71-E73 PolarHBondContact O-N 3.27Å; E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 3.21Å; E73-Q76 PolarHBondContact O-N 3.39Å
74E94.1Very high97.5Very high112 Ų11233.7 Ų33.752%0.52316%0.161SC..THydrogen-bonded Turntrans-62.9-37.3179.1-173.1-171.816400112A72 Q76 L232 R236A72-E74 PolarHBondContact O-N 2.96Å; E74-Q76 PolarHBondContact O-N 3.08Å; E74-L232 HydrophobicContact CB-CD2 3.96Å; E74-L232 HydrophobicContact CG-CD2 3.78Å; E74-R236 IonicContact OE1-CZ 3.95Å; E74-R236 VanDerWaalsContact OE1-CZ 3.23Å; E74-R236 IonicContact OE1-NE 3.26Å; E74-R236 PolarHBondContact OE1-NE 3.2Å; E74-R236 IonicContact OE1-NH2 3.97Å; E74-R236 PolarHBondContact OE1-NH2 3.3Å; E74-R236 IonicContact OE2-CZ 3.81Å; E74-R236 IonicContact OE2-NE 2.8Å; E74-R236 IonicContact OE2-NH2 3.17Å; E74-R236 PolarHBondContact OE2-NH2 3.31Å
75A93.6Very high97.5Very high5 Ų533.8 Ų33.84%0.04116%0.162CC..THydrogen-bonded Turntrans-76.6-717800000112.6A72 E73 R77 T228 L231 L232A72-A75 HydrophobicContact CB-CB 3.84Å; A72-A75 CarbonylContact O-C 3.56Å; A72-A75 PolarHBondContact O-N 3.05Å; E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 3.21Å; A75-R77 HydrophobicContact CB-CB 4.43Å; A75-R77 PolarHBondContact O-N 3.12Å; A75-R77 VanDerWaalsContact O-N 3.15Å; A75-T228 HydrophobicContact CB-CG2 4.05Å; A75-L231 HydrophobicContact CB-CD2 3.95Å; A75-L231 HydrophobicContact CB-CG 4.27Å; A75-L231 WeakPolarHBondContact O-CD2 3.49Å; A75-L232 HydrophobicContact CB-CD2 3.81Å; A75-L232 HydrophobicContact CB-CG 4.03Å
76Q94.5Very high97.4Very high169 Ų16934.5 Ų34.579%0.7917%0.166SC*.THydrogen-bonded Turntrans48.536.4-172.3-58.6-170.4-51.500113A72 E73 E74A72-Q76 PolarHBondContact O-N 3.42Å; E73-Q76 PolarHBondContact O-N 3.39Å; E74-Q76 PolarHBondContact O-N 3.08Å
77R96.4Very high97.4Very high36 Ų3639.7 Ų39.714%0.13620%0.2CC..EExtended strand (participates in β ladder)trans-119.7138.3-178.1-16673.970.4-166.5-3.6110.8A72 A75 Y79 L202 L231A72-R77 PolarHBondContact N-O 2.86Å; A72-R77 PolarHBondContact O-N 3.12Å; A75-R77 HydrophobicContact CB-CB 4.43Å; A75-R77 PolarHBondContact O-N 3.12Å; A75-R77 VanDerWaalsContact O-N 3.15Å; R77-Y79 HydrophobicContact CB-CE2 4.31Å; R77-Y79 HydrophobicContact CG-CE1 3.72Å; R77-Y79 HydrophobicContact CG-CE2 3.81Å; R77-Y79 WeakPolarHBondContact CG-OH 3.27Å; R77-L202 PolarHBondContact NH1-O 2.95Å; R77-L231 HydrophobicContact CB-CD2 3.94Å; R77-L231 HydrophobicContact CG-CD2 4.45Å; R77-L231 VanDerWaalsContact NH2-CD2 3.27Å
78K98.2Very high97.3Very high112 Ų11243 Ų4349%0.48722%0.223SC..EExtended strand (participates in β ladder)trans-123.1143176.2-65.4178.9-177.8177.50110.2L69 I70 T71 P208L69-K78 HydrophobicContact CD1-CB 4.23Å; I70-K78 WeakPolarHBondContact O-CA 3.45Å; T71-K78 HydrophobicContact CG2-CG 4.16Å; K78-P208 HydrophobicContact CB-CB 3.98Å; K78-P208 HydrophobicContact CB-CG 3.87Å
79Y98.8Very high97.3Very high0 Ų043.4 Ų43.40%023%0.225CC..EExtended strand (participates in β ladder)trans-134.4148175.1-44.3-89000109.4L69 I70 R77 L202 V209 C224 D227 T228L69-Y79 WeakPolarHBondContact CA-O 3.39Å; I70-Y79 HydrophobicContact CB-CD2 4.42Å; I70-Y79 PolarHBondContact N-O 2.92Å; I70-Y79 PolarHBondContact O-N 3.22Å; R77-Y79 HydrophobicContact CB-CE2 4.31Å; R77-Y79 HydrophobicContact CG-CE1 3.72Å; R77-Y79 HydrophobicContact CG-CE2 3.81Å; R77-Y79 WeakPolarHBondContact CG-OH 3.27Å; Y79-L202 HydrophobicContact CE1-CD2 4.27Å; Y79-V209 HydrophobicContact CD1-CG1 3.62Å; Y79-V209 HydrophobicContact CE1-CG1 4.4Å; Y79-C224 HydrophobicContact CD1-CB 4.35Å; Y79-C224 VanDerWaalsContact CD1-SG 3.58Å; Y79-C224 HydrophobicContact CD2-CB 4.17Å; Y79-C224 HydrophobicContact CE1-CB 4.35Å; Y79-C224 HydrophobicContact CE2-CB 4.15Å; Y79-C224 HydrophobicContact CG-CB 4.25Å; Y79-D227 WeakPolarHBondContact CE1-OD2 3.45Å; Y79-D227 PolarHBondContact OH-OD2 3.34Å; Y79-T228 WeakPolarHBondContact CE2-OG1 3.39Å; Y79-T228 PolarHBondContact OH-OG1 3.3Å
80I98.9Very high97.3Very high0 Ų041.6 Ų41.60%022%0.216CC..EExtended strand (participates in β ladder)trans-104.3113163.7-69.8162.8000107.6I55 A67 S68 L69 M96 Q100 P208 V209 V210 V211I55-I80 HydrophobicContact CD1-CD1 4.16Å; I55-I80 HydrophobicContact CD1-CG1 4.02Å; I55-I80 HydrophobicContact CG1-CD1 4.44Å; I55-I80 HydrophobicContact CG1-CG1 4.26Å; I55-I80 HydrophobicContact CG1-CG2 4.13Å; A67-I80 HydrophobicContact CB-CG2 4Å; S68-I80 WeakPolarHBondContact O-CA 3.13Å; L69-I80 HydrophobicContact CD1-CG1 4.16Å; I80-M96 HydrophobicContact CG2-CE 3.94Å; I80-M96 HydrophobicContact CG2-SD 3.72Å; I80-Q100 HydrophobicContact CD1-CB 3.72Å; I80-Q100 HydrophobicContact CD1-CG 3.67Å; I80-P208 HydrophobicContact CD1-CB 4Å; I80-P208 HydrophobicContact CD1-CG 4.25Å; I80-P208 HydrophobicContact CG1-CB 3.89Å; I80-P208 HydrophobicContact CG1-CG 4.37Å; I80-V209 PolarHBondContact N-O 3.19Å; I80-V210 HydrophobicContact CB-CG2 3.99Å; I80-V210 HydrophobicContact CD1-CG2 4.26Å; I80-V210 HydrophobicContact CG2-CG2 4.12Å; I80-V210 CarbonylContact O-C 3.58Å; I80-V210 WeakPolarHBondContact O-CA 3.34Å; I80-V211 PolarHBondContact O-N 3.24Å
81L98.9Very high97.3Very high0 Ų041.6 Ų41.60%022%0.217CC..EExtended strand (participates in β ladder)trans-97124172.5-8568.1000109.9A67 S68 I70 V211 L258A67-L81 CarbonylContact C-O 3.55Å; A67-L81 WeakPolarHBondContact CA-O 3.43Å; S68-L81 PolarHBondContact N-O 3.41Å; S68-L81 PolarHBondContact O-N 3.41Å; I70-L81 HydrophobicContact CD1-CB 4.22Å; I70-L81 HydrophobicContact CD1-CD1 3.62Å; I70-L81 HydrophobicContact CD1-CD2 3.68Å; I70-L81 HydrophobicContact CD1-CG 4.03Å; I70-L81 HydrophobicContact CG1-CD1 4.07Å; L81-V211 WeakPolarHBondContact CA-O 3.48Å; L81-V211 HydrophobicContact CD1-CB 4.35Å; L81-V211 HydrophobicContact CG-CB 4.45Å; L81-L258 HydrophobicContact CD2-CD2 3.56Å
82T98.9Very high97.4Very high3 Ų341.4 Ų41.42%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-134.9160.1-175.9-171.60000111.8N66 F93 M96 V210 V211 H212 G216N66-T82 WeakPolarHBondContact O-CA 3.5Å; N66-T82 PolarHBondContact O-OG1 3.31Å; T82-F93 HydrophobicContact CG2-CD2 4.17Å; T82-F93 HydrophobicContact CG2-CE2 3.78Å; T82-M96 HydrophobicContact CG2-CE 4.19Å; T82-V210 HydrophobicContact CG2-CG1 3.78Å; T82-V211 PolarHBondContact N-O 3.43Å; T82-H212 HydrophobicContact CG2-CB 3.76Å; T82-H212 WeakPolarHBondContact O-CB 3.32Å; T82-G216 WeakPolarHBondContact O-CA 3.38Å
83Q98.9Very high97.6Very high7 Ų740.9 Ų40.93%0.03321%0.208CC..PPolyproline II helixtrans-68.8159.3171.171.1-179.336.800110.9R41 N66 P85R41-Q83 PolarHBondContact O-NE2 2.9Å; N66-Q83 HydrophobicContact CB-CG 4.1Å; N66-Q83 PolarHBondContact ND2-OE1 2.91Å; N66-Q83 PolarHBondContact O-N 3.17Å; Q83-P85 WeakPolarHBondContact O-CD 3.45Å
84G98.8Very high97.9Very high0 Ų033.3 Ų33.30%017%0.173CC..PPolyproline II helixtrans-61.5123.3166.600000109.4R43 C213 S214R43-G84 PolarHBondContact NE-O 3.27Å; R43-G84 PolarHBondContact NH2-O 2.86Å; G84-C213 WeakPolarHBondContact CA-O 3.15Å; G84-C213 PolarHBondContact N-O 2.98Å; G84-S214 PolarHBondContact N-O 2.79Å
85P98.8Very high98.1Very high2 Ų228.1 Ų28.11%0.01315%0.149CC..PPolyproline II helixtrans-49.9142.2-174.3-31.936.7000113.2R43 Q83 F93 A120 Y122R43-P85 PolarHBondContact NH2-O 3.04Å; Q83-P85 WeakPolarHBondContact O-CD 3.45Å; P85-F93 HydrophobicContact CB-CB 4.43Å; P85-F93 HydrophobicContact CG-CB 3.89Å; P85-F93 HydrophobicContact CG-CD1 4.33Å; P85-F93 HydrophobicContact CG-CD2 3.53Å; P85-F93 HydrophobicContact CG-CE2 4.09Å; P85-F93 HydrophobicContact CG-CG 3.66Å; P85-A120 VanDerWaalsContact O-CB 3.32Å; P85-A120 WeakPolarHBondContact O-CB 3.37Å; P85-A120 PolarHBondContact O-N 2.89Å; P85-Y122 HydrophobicContact CB-CD1 4.41Å; P85-Y122 HydrophobicContact CB-CG 4.45Å; P85-Y122 HydrophobicContact CG-CD1 3.87Å; P85-Y122 HydrophobicContact CG-CE1 4.37Å; P85-Y122 HydrophobicContact CG-CG 3.99Å
86L98.6Very high98.4Very high26 Ų2627.9 Ų27.914%0.13615%0.147CC..PPolyproline II helixtrans-84.3160166.9-65166000108.6T40 R43 S88 T89 C90T40-L86 VanDerWaalsContact O-CD1 3.3Å; T40-L86 WeakPolarHBondContact O-CD1 3.41Å; R43-L86 HydrophobicContact CB-CD2 4.02Å; R43-L86 HydrophobicContact CB-CG 4.36Å; R43-L86 HydrophobicContact CG-CD2 4.22Å; L86-S88 PolarHBondContact O-N 2.95Å; L86-S88 VanDerWaalsContact O-N 3.16Å; L86-T89 HydrophobicContact CB-CG2 4.19Å; L86-T89 HydrophobicContact CD1-CG2 4.37Å; L86-T89 PolarHBondContact N-OG1 2.78Å; L86-T89 CarbonylContact O-C 3.57Å; L86-T89 PolarHBondContact O-N 3.33Å; L86-T89 PolarHBondContact O-OG1 3.35Å; L86-C90 PolarHBondContact O-N 3.3Å; L86-C90 PolarHBondContact O-SG 2.91Å
87P98.1Very high98.6Very high112 Ų11219.8 Ų19.873%0.72711%0.109SC*.G310 helixtrans-52.1-39.7176.2-2836000113.2T89 A120P87-T89 VanDerWaalsContact C-N 3.29Å; P87-T89 PolarHBondContact O-N 2.89Å; P87-A120 HydrophobicContact CG-CB 4.39Å
88S97.7Very high98.7Very high69 Ų6919.2 Ų19.248%0.48311%0.107SC..G310 helixtrans-80.6-0.6177.759.60000115L86 H92L86-S88 PolarHBondContact O-N 2.95Å; L86-S88 VanDerWaalsContact O-N 3.16Å; S88-H92 PolarHBondContact O-ND1 3.26Å
89T98.7Very high98.7Very high9 Ų915.5 Ų15.56%0.0559%0.091CC..G310 helixtrans-126.414.1-178.775.70000113.5R41 L86 P87 F93R41-T89 HydrophobicContact CB-CG2 4.31Å; R41-T89 HydrophobicContact CG-CG2 4.3Å; L86-T89 HydrophobicContact CB-CG2 4.19Å; L86-T89 HydrophobicContact CD1-CG2 4.37Å; L86-T89 PolarHBondContact N-OG1 2.78Å; L86-T89 CarbonylContact O-C 3.57Å; L86-T89 PolarHBondContact O-N 3.33Å; L86-T89 PolarHBondContact O-OG1 3.35Å; P87-T89 VanDerWaalsContact C-N 3.29Å; P87-T89 PolarHBondContact O-N 2.89Å; T89-F93 WeakPolarHBondContact O-CB 3.28Å; T89-F93 PolarHBondContact O-N 3.29Å; T89-F93 VanDerWaalsContact O-N 3.08Å
90C98.8Very high98.7Very high7 Ų717.8 Ų17.85%0.04710%0.102CC..Hα-helixtrans-66.8-43.4173.8-65.40000111.4L86 F93 W94 F133L86-C90 PolarHBondContact O-N 3.3Å; L86-C90 PolarHBondContact O-SG 2.91Å; C90-F93 WeakPolarHBondContact O-CB 3.34Å; C90-F93 PolarHBondContact O-N 3Å; C90-W94 VanDerWaalsContact O-CD1 3.24Å; C90-W94 PolarHBondContact O-N 3.32Å; C90-F133 HydrophobicContact CB-CD1 3.8Å; C90-F133 HydrophobicContact CB-CE1 3.3Å; C90-F133 HydrophobicContact CB-CZ 4.03Å
91G98.5Very high98.7Very high1 Ų126.5 Ų26.51%0.0114%0.135CC..Hα-helixtrans-59.1-53.3174.500000112.1F93 W94 E95 T136G91-F93 PolarHBondContact O-N 2.91Å; G91-F93 VanDerWaalsContact O-N 3.12Å; G91-W94 PolarHBondContact O-N 2.88Å; G91-E95 PolarHBondContact O-N 3.03Å; G91-T136 WeakPolarHBondContact CA-OG1 3.42Å; G91-T136 PolarHBondContact O-OG1 3.37Å
92H98.8Very high98.7Very high27 Ų2726.8 Ų26.813%0.12514%0.136CC..Hα-helixtrans-51.9-35.7173.9-59.8123.2000113.7R41 L57 I65 S88 E95 M96R41-H92 PolarHBondContact NH2-NE2 2.97Å; R41-H92 VanDerWaalsContact NH2-NE2 3.15Å; L57-H92 HydrophobicContact CD1-CB 3.84Å; I65-H92 HydrophobicContact CD1-CB 4.25Å; I65-H92 WeakPolarHBondContact CD1-O 3.41Å; S88-H92 PolarHBondContact O-ND1 3.26Å; H92-E95 IonicContact CD2-OE2 3.53Å; H92-M96 WeakPolarHBondContact O-CB 3.25Å; H92-M96 PolarHBondContact O-N 2.77Å
93F98.9Very high98.6Very high2 Ų230 Ų301%0.00915%0.148CC..Hα-helixtrans-67-43.5176.8174.9-86.9000111.7T82 P85 T89 C90 G91 M96 V97 V105 Y122 V210T82-F93 HydrophobicContact CG2-CD2 4.17Å; T82-F93 HydrophobicContact CG2-CE2 3.78Å; P85-F93 HydrophobicContact CB-CB 4.43Å; P85-F93 HydrophobicContact CG-CB 3.89Å; P85-F93 HydrophobicContact CG-CD1 4.33Å; P85-F93 HydrophobicContact CG-CD2 3.53Å; P85-F93 HydrophobicContact CG-CE2 4.09Å; P85-F93 HydrophobicContact CG-CG 3.66Å; T89-F93 WeakPolarHBondContact O-CB 3.28Å; T89-F93 PolarHBondContact O-N 3.29Å; T89-F93 VanDerWaalsContact O-N 3.08Å; C90-F93 WeakPolarHBondContact O-CB 3.34Å; C90-F93 PolarHBondContact O-N 3Å; G91-F93 PolarHBondContact O-N 2.91Å; G91-F93 VanDerWaalsContact O-N 3.12Å; F93-M96 HydrophobicContact CD2-CE 4.1Å; F93-M96 HydrophobicContact CE2-CE 4.28Å; F93-M96 WeakPolarHBondContact O-CB 3.41Å; F93-M96 PolarHBondContact O-N 3.05Å; F93-V97 HydrophobicContact CD1-CG2 4.24Å; F93-V97 HydrophobicContact CE1-CG2 3.86Å; F93-V97 HydrophobicContact CZ-CG2 4.23Å; F93-V97 WeakPolarHBondContact O-CG2 3.33Å; F93-V97 PolarHBondContact O-N 3.11Å; F93-V105 HydrophobicContact CE1-CG2 4.48Å; F93-V105 HydrophobicContact CZ-CG1 3.88Å; F93-V105 HydrophobicContact CZ-CG2 4.31Å; F93-Y122 AromaticContact CD1-CD2 3.98Å; F93-Y122 HydrophobicContact CD1-CD2 3.98Å; F93-Y122 HydrophobicContact CD1-CE2 4.18Å; F93-Y122 AromaticContact CE1-CD2 3.8Å; F93-Y122 HydrophobicContact CE1-CD2 3.8Å; F93-Y122 AromaticContact CE1-CE2 3.52Å; F93-Y122 HydrophobicContact CE1-CE2 3.52Å; F93-Y122 AromaticContact CZ-CE2 3.94Å; F93-Y122 HydrophobicContact CZ-CE2 3.94Å; F93-V210 HydrophobicContact CE2-CG1 3.73Å; F93-V210 HydrophobicContact CZ-CG1 3.88Å
94W98.8Very high98.6Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-74-32.8178.1-70.1116.2000113.1C90 G91 M96 V97 W98 Y122 W123 F133 F138 V140 L156 L158 I169C90-W94 VanDerWaalsContact O-CD1 3.24Å; C90-W94 PolarHBondContact O-N 3.32Å; G91-W94 PolarHBondContact O-N 2.88Å; W94-M96 VanDerWaalsContact C-N 3.35Å; W94-V97 HydrophobicContact CE3-CB 4.04Å; W94-V97 HydrophobicContact CE3-CG1 4.02Å; W94-V97 HydrophobicContact CE3-CG2 4.12Å; W94-V97 HydrophobicContact CZ3-CG1 4.11Å; W94-V97 HydrophobicContact CZ3-CG2 4.38Å; W94-V97 PolarHBondContact O-N 2.8Å; W94-W98 WeakPolarHBondContact O-CB 3.28Å; W94-W98 PolarHBondContact O-N 3.27Å; W94-Y122 AromaticContact CE2-CD2 3.89Å; W94-Y122 HydrophobicContact CH2-CE2 4.31Å; W94-Y122 AromaticContact CZ2-CD2 3.6Å; W94-Y122 HydrophobicContact CZ2-CD2 3.6Å; W94-Y122 AromaticContact CZ2-CE2 3.79Å; W94-Y122 HydrophobicContact CZ2-CE2 3.79Å; W94-Y122 AromaticContact NE1-CD2 3.9Å; W94-Y122 PolarHBondContact NE1-O 3.39Å; W94-W123 HydrophobicContact CZ2-CB 4.39Å; W94-F133 AromaticContact CD1-CD2 3.6Å; W94-F133 AromaticContact CD1-CE2 3.15Å; W94-F133 AromaticContact CD1-CZ 3.66Å; W94-F133 HydrophobicContact CG-CD2 4.39Å; W94-F133 HydrophobicContact CG-CE2 4.18Å; W94-F133 AromaticContact NE1-CE2 3.38Å; W94-F133 AromaticContact NE1-CZ 3.65Å; W94-F138 HydrophobicContact CB-CB 4.41Å; W94-V140 HydrophobicContact CD2-CG2 3.72Å; W94-V140 HydrophobicContact CE3-CG2 4.27Å; W94-V140 HydrophobicContact CG-CG2 3.93Å; W94-V140 HydrophobicContact CH2-CG1 4.33Å; W94-V140 HydrophobicContact CZ2-CG1 4.06Å; W94-V140 HydrophobicContact CZ2-CG2 4.09Å; W94-L156 HydrophobicContact CH2-CD1 3.72Å; W94-L156 HydrophobicContact CZ2-CD1 4.3Å; W94-L158 HydrophobicContact CB-CD1 4.06Å; W94-L158 HydrophobicContact CD2-CD1 4.29Å; W94-L158 HydrophobicContact CE3-CD1 4.04Å; W94-L158 HydrophobicContact CE3-CD2 4.04Å; W94-L158 HydrophobicContact CG-CD1 4.34Å; W94-I169 HydrophobicContact CZ3-CG2 4.32Å
95E98.8Very high98.6Very high3 Ų329.7 Ų29.71%0.01415%0.147CC..Hα-helixtrans-55.4-50.6166.7179.2-176.7-178.700110.6L57 Q58 L59 G91 H92 V97 W98 E99 T136 F138L57-E95 HydrophobicContact CD2-CB 4.38Å; L57-E95 HydrophobicContact CD2-CG 4.07Å; Q58-E95 PolarHBondContact N-OE1 3.36Å; L59-E95 WeakPolarHBondContact CB-OE1 3.45Å; L59-E95 HydrophobicContact CD1-CG 3.89Å; L59-E95 HydrophobicContact CG-CG 4.18Å; L59-E95 WeakPolarHBondContact CG-OE1 3.44Å; L59-E95 PolarHBondContact N-OE1 3.28Å; G91-E95 PolarHBondContact O-N 3.03Å; H92-E95 IonicContact CD2-OE2 3.53Å; E95-V97 PolarHBondContact O-N 2.87Å; E95-W98 WeakPolarHBondContact O-CB 3.34Å; E95-W98 PolarHBondContact O-N 2.59Å; E95-E99 HydrophobicContact CG-CG 4.33Å; E95-E99 WeakPolarHBondContact CG-OE1 3.49Å; E95-E99 WeakPolarHBondContact O-CB 3.24Å; E95-E99 WeakPolarHBondContact O-CG 3.46Å; E95-E99 PolarHBondContact O-N 2.92Å; E95-T136 HydrophobicContact CB-CG2 4.22Å; E95-T136 WeakPolarHBondContact OE2-CG2 3.16Å; E95-F138 VanDerWaalsContact CA-CE2 3.45Å; E95-F138 HydrophobicContact CB-CD2 4.35Å; E95-F138 HydrophobicContact CB-CE2 3.77Å; E95-F138 HydrophobicContact CG-CE2 4.25Å
96M98.9Very high98.6Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-58-47.4175.7179.2-173.570.700112.1I55 L57 I65 A67 I80 T82 H92 F93 W94 W98 E99 Q100 V210I55-M96 HydrophobicContact CB-SD 4.31Å; I55-M96 HydrophobicContact CG1-SD 4.26Å; I55-M96 HydrophobicContact CG2-CG 3.88Å; I55-M96 HydrophobicContact CG2-SD 4.24Å; L57-M96 HydrophobicContact CD2-CB 3.91Å; I65-M96 HydrophobicContact CD1-CB 4.11Å; I65-M96 HydrophobicContact CD1-CE 4.44Å; I65-M96 HydrophobicContact CD1-SD 3.99Å; I65-M96 HydrophobicContact CG2-SD 4.35Å; A67-M96 HydrophobicContact CB-CE 4.48Å; A67-M96 HydrophobicContact CB-SD 3.49Å; A67-M96 WeakPolarHBondContact CB-SD 3.33Å; I80-M96 HydrophobicContact CG2-CE 3.94Å; I80-M96 HydrophobicContact CG2-SD 3.72Å; T82-M96 HydrophobicContact CG2-CE 4.19Å; H92-M96 WeakPolarHBondContact O-CB 3.25Å; H92-M96 PolarHBondContact O-N 2.77Å; F93-M96 HydrophobicContact CD2-CE 4.1Å; F93-M96 HydrophobicContact CE2-CE 4.28Å; F93-M96 WeakPolarHBondContact O-CB 3.41Å; F93-M96 PolarHBondContact O-N 3.05Å; W94-M96 VanDerWaalsContact C-N 3.35Å; M96-W98 VanDerWaalsContact C-N 3.27Å; M96-W98 PolarHBondContact O-N 2.86Å; M96-E99 PolarHBondContact O-N 3.05Å; M96-Q100 HydrophobicContact CG-CG 4.11Å; M96-Q100 VanDerWaalsContact O-CB 3.24Å; M96-Q100 WeakPolarHBondContact O-CB 3.44Å; M96-Q100 WeakPolarHBondContact O-CG 3.43Å; M96-Q100 PolarHBondContact O-N 2.93Å; M96-V210 HydrophobicContact CE-CG1 4.01Å; M96-V210 HydrophobicContact CE-CG2 3.88Å
97V98.9Very high98.6Very high0 Ų028.4 Ų28.40%014%0.14CC..Hα-helixtrans-57.8-42.1178.2167.60000110.9F93 W94 E95 R101 T102 V105 L158 I169 V210F93-V97 HydrophobicContact CD1-CG2 4.24Å; F93-V97 HydrophobicContact CE1-CG2 3.86Å; F93-V97 HydrophobicContact CZ-CG2 4.23Å; F93-V97 WeakPolarHBondContact O-CG2 3.33Å; F93-V97 PolarHBondContact O-N 3.11Å; W94-V97 HydrophobicContact CE3-CB 4.04Å; W94-V97 HydrophobicContact CE3-CG1 4.02Å; W94-V97 HydrophobicContact CE3-CG2 4.12Å; W94-V97 HydrophobicContact CZ3-CG1 4.11Å; W94-V97 HydrophobicContact CZ3-CG2 4.38Å; W94-V97 PolarHBondContact O-N 2.8Å; E95-V97 PolarHBondContact O-N 2.87Å; V97-R101 PolarHBondContact O-N 3.29Å; V97-T102 HydrophobicContact CG1-CG2 4.37Å; V97-T102 PolarHBondContact O-N 3.46Å; V97-T102 VanDerWaalsContact O-N 3.08Å; V97-V105 HydrophobicContact CG2-CG2 4.18Å; V97-L158 HydrophobicContact CB-CD2 4.43Å; V97-L158 HydrophobicContact CG1-CD2 3.9Å; V97-I169 HydrophobicContact CG1-CD1 3.81Å; V97-I169 HydrophobicContact CG1-CG1 4.27Å; V97-V210 HydrophobicContact CG2-CG2 4.19Å
98W98.8Very high98.7Very high24 Ų2423 Ų239%0.09111%0.105CC..Hα-helixtrans-66.3-54.7177.9-176.4-95.7000112.5W94 E95 M96 Q100 R101 F138 L158 N160 E165 R167W94-W98 WeakPolarHBondContact O-CB 3.28Å; W94-W98 PolarHBondContact O-N 3.27Å; E95-W98 WeakPolarHBondContact O-CB 3.34Å; E95-W98 PolarHBondContact O-N 2.59Å; M96-W98 VanDerWaalsContact C-N 3.27Å; M96-W98 PolarHBondContact O-N 2.86Å; W98-Q100 VanDerWaalsContact C-N 3.31Å; W98-Q100 PolarHBondContact O-N 3.02Å; W98-R101 PolarHBondContact O-N 3.36Å; W98-R101 VanDerWaalsContact O-N 3.1Å; W98-F138 HydrophobicContact CB-CE1 3.58Å; W98-F138 HydrophobicContact CB-CZ 3.61Å; W98-F138 AromaticContact CD1-CE1 3.96Å; W98-F138 AromaticContact CD1-CZ 3.83Å; W98-F138 AromaticContact CD2-CE1 3.64Å; W98-F138 HydrophobicContact CD2-CE1 3.64Å; W98-F138 HydrophobicContact CD2-CZ 4.29Å; W98-F138 AromaticContact CE3-CE1 3.98Å; W98-F138 HydrophobicContact CE3-CE1 3.98Å; W98-F138 AromaticContact CG-CE1 3.44Å; W98-F138 HydrophobicContact CG-CE1 3.44Å; W98-F138 VanDerWaalsContact CG-CE1 3.44Å; W98-F138 AromaticContact CG-CZ 3.63Å; W98-F138 HydrophobicContact CG-CZ 3.63Å; W98-L158 HydrophobicContact CB-CD2 4.16Å; W98-L158 HydrophobicContact CE3-CD2 3.86Å; W98-L158 HydrophobicContact CE3-CG 3.94Å; W98-L158 HydrophobicContact CZ3-CG 4.44Å; W98-N160 HydrophobicContact CD2-CB 4.26Å; W98-N160 HydrophobicContact CE3-CB 4.42Å; W98-N160 HydrophobicContact CH2-CB 3.78Å; W98-N160 HydrophobicContact CZ2-CB 3.57Å; W98-N160 HydrophobicContact CZ3-CB 4.19Å; W98-N160 PolarHBondContact NE1-ND2 2.79Å; W98-E165 HydrophobicContact CH2-CB 3.56Å; W98-E165 VanDerWaalsContact CH2-O 3.28Å; W98-E165 WeakPolarHBondContact CH2-O 3.47Å; W98-E165 HydrophobicContact CZ2-CB 3.81Å; W98-R167 HydrophobicContact CE3-CG 4.26Å; W98-R167 HydrophobicContact CH2-CG 3.9Å; W98-R167 HydrophobicContact CZ3-CB 4.02Å; W98-R167 HydrophobicContact CZ3-CG 3.55Å; W98-R167 PolarHBondContact O-NH1 3.1Å
99E98.6Very high98.6Very high34 Ų3419.8 Ų19.816%0.1598%0.082CC..Hα-helixtrans-62.2-39.7-176-71.6178.3170.900112.1L57 Q58 E95 M96 R101L57-E99 WeakPolarHBondContact CA-OE2 3.46Å; Q58-E99 WeakPolarHBondContact CA-OE1 3.35Å; Q58-E99 WeakPolarHBondContact CB-OE1 3.43Å; Q58-E99 PolarHBondContact N-OE1 3.31Å; Q58-E99 PolarHBondContact N-OE2 3.3Å; E95-E99 HydrophobicContact CG-CG 4.33Å; E95-E99 WeakPolarHBondContact CG-OE1 3.49Å; E95-E99 WeakPolarHBondContact O-CB 3.24Å; E95-E99 WeakPolarHBondContact O-CG 3.46Å; E95-E99 PolarHBondContact O-N 2.92Å; M96-E99 PolarHBondContact O-N 3.05Å; E99-R101 PolarHBondContact O-N 3.38Å
100Q98.7Very high98.5Very high47 Ų4722.3 Ų22.322%0.229%0.091CC..THydrogen-bonded Turntrans-80.3-0.3-179.5-58.4-57.3-48.200112.9I55 I80 M96 W98 T102 G207I55-Q100 HydrophobicContact CG2-CG 4.25Å; I80-Q100 HydrophobicContact CD1-CB 3.72Å; I80-Q100 HydrophobicContact CD1-CG 3.67Å; M96-Q100 HydrophobicContact CG-CG 4.11Å; M96-Q100 VanDerWaalsContact O-CB 3.24Å; M96-Q100 WeakPolarHBondContact O-CB 3.44Å; M96-Q100 WeakPolarHBondContact O-CG 3.43Å; M96-Q100 PolarHBondContact O-N 2.93Å; W98-Q100 VanDerWaalsContact C-N 3.31Å; W98-Q100 PolarHBondContact O-N 3.02Å; Q100-T102 PolarHBondContact O-N 3.43Å; Q100-G207 WeakPolarHBondContact O-CA 3.46Å
101R98.4Very high98.4Very high184 Ų18423.6 Ų23.669%0.69410%0.098SC*.THydrogen-bonded Turntrans5536.2-179.3-54.6179.4-179.4176.5-1.6112.5V97 W98 E99 G207V97-R101 PolarHBondContact O-N 3.29Å; W98-R101 PolarHBondContact O-N 3.36Å; W98-R101 VanDerWaalsContact O-N 3.1Å; E99-R101 PolarHBondContact O-N 3.38Å; R101-G207 WeakPolarHBondContact O-CA 3.46Å; R101-G207 PolarHBondContact O-N 3.42Å
102T98.6Very high98.2Very high5 Ų528 Ų283%0.03112%0.121CC..BIsolated β-bridgetrans-67.1133.8179.4-680000109.9V97 Q100 G104 I169 P208 V210V97-T102 HydrophobicContact CG1-CG2 4.37Å; V97-T102 PolarHBondContact O-N 3.46Å; V97-T102 VanDerWaalsContact O-N 3.08Å; Q100-T102 PolarHBondContact O-N 3.43Å; T102-G104 WeakPolarHBondContact CG2-O 3.36Å; T102-I169 WeakPolarHBondContact O-CD1 3.33Å; T102-P208 PolarHBondContact OG1-O 3.19Å; T102-V210 HydrophobicContact CG2-CB 4.24Å; T102-V210 HydrophobicContact CG2-CG2 3.84Å
103R98.5Very high97.9Very high72 Ų7226.9 Ų26.927%0.27212%0.116SC..  trans-95.4-27.8173.8-177.856175.2-159.5-6.4113.1E168 I169 L170 H206R103-E168 WeakPolarHBondContact CD-O 3.47Å; R103-E168 IonicContact CZ-OE1 2.68Å; R103-E168 VanDerWaalsContact CZ-OE1 3.25Å; R103-E168 IonicContact NE-OE1 3.68Å; R103-E168 PolarHBondContact NH1-O 2.88Å; R103-E168 IonicContact NH1-OE1 3.72Å; R103-E168 IonicContact NH2-OE1 2.73Å; R103-E168 PolarHBondContact NH2-OE1 2.76Å; R103-E168 IonicContact NH2-OE2 2.84Å; R103-I169 WeakPolarHBondContact O-CA 3.08Å; R103-L170 PolarHBondContact O-N 3.21Å; R103-H206 HydrophobicContact CB-CB 3.97Å
104G98.6Very high97.5Very high0 Ų035 Ų350%015%0.151CC..EExtended strand (participates in β ladder)trans-132141.6-175.300000113.9T102 L170 V209 V210T102-G104 WeakPolarHBondContact CG2-O 3.36Å; G104-L170 CarbonylContact C-O 3.58Å; G104-L170 VanDerWaalsContact CA-O 3.28Å; G104-L170 WeakPolarHBondContact CA-O 3.08Å; G104-V209 WeakPolarHBondContact O-CG2 3.35Å; G104-V210 PolarHBondContact O-N 2.9Å
105V98.9Very high97Very high0 Ų038.4 Ų38.40%019%0.186CC..EExtended strand (participates in β ladder)trans-117.1125.2170.8177.50000108.8F93 V97 I169 L170 H171 F172 V210F93-V105 HydrophobicContact CE1-CG2 4.48Å; F93-V105 HydrophobicContact CZ-CG1 3.88Å; F93-V105 HydrophobicContact CZ-CG2 4.31Å; V97-V105 HydrophobicContact CG2-CG2 4.18Å; V105-I169 HydrophobicContact CG2-CG2 3.97Å; V105-L170 PolarHBondContact N-O 2.87Å; V105-H171 WeakPolarHBondContact O-CA 3.42Å; V105-F172 PolarHBondContact O-N 2.97Å; V105-V210 CarbonylContact C-O 3.58Å; V105-V210 WeakPolarHBondContact CA-O 3.33Å; V105-V210 HydrophobicContact CG2-CB 4.33Å
106V98.9Very high96.7Very high0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-107.5110.6176.6-178.80000109.2L108 F172 F192 V196 V209 V210 V211 H212 F223V106-L108 HydrophobicContact CG1-CD2 3.69Å; V106-L108 HydrophobicContact CG1-CG 4.02Å; V106-F172 CarbonylContact C-O 3.59Å; V106-F172 WeakPolarHBondContact CA-O 3.19Å; V106-F172 HydrophobicContact CG2-CB 4.4Å; V106-F172 HydrophobicContact CG2-CD2 4.41Å; V106-F192 HydrophobicContact CG1-CE1 3.88Å; V106-F192 HydrophobicContact CG1-CZ 4.13Å; V106-V196 HydrophobicContact CG2-CG1 3.96Å; V106-V196 HydrophobicContact CG2-CG2 4.17Å; V106-V209 HydrophobicContact CG2-CG2 3.91Å; V106-V210 PolarHBondContact N-O 3.49Å; V106-V211 HydrophobicContact CB-CB 4.46Å; V106-V211 HydrophobicContact CB-CG1 4.18Å; V106-V211 HydrophobicContact CB-CG2 4.2Å; V106-V211 HydrophobicContact CG1-CG1 4.25Å; V106-V211 WeakPolarHBondContact O-CA 3.46Å; V106-H212 PolarHBondContact O-N 3.07Å; V106-F223 HydrophobicContact CG1-CD2 4.39Å; V106-F223 HydrophobicContact CG1-CE1 4.39Å; V106-F223 HydrophobicContact CG1-CE2 4.15Å; V106-F223 HydrophobicContact CG1-CZ 4.15Å; V106-F223 HydrophobicContact CG2-CE1 4.37Å; V106-F223 HydrophobicContact CG2-CZ 4.21Å
107M98.8Very high96.6Very high0 Ų047 Ų470%024%0.236CC..EExtended strand (participates in β ladder)trans-103.5118.3178.5176.7165.6-176.400110.4N109 V111 C119 Y122 W123 F172 H173 Y174 H212M107-N109 WeakPolarHBondContact CE-O 3.37Å; M107-V111 HydrophobicContact CE-CG2 4.45Å; M107-C119 HydrophobicContact CE-CB 4.27Å; M107-Y122 HydrophobicContact SD-CE1 3.91Å; M107-W123 HydrophobicContact CE-CH2 3.49Å; M107-W123 VanDerWaalsContact CE-CH2 3.49Å; M107-W123 HydrophobicContact CE-CZ3 3.66Å; M107-W123 HydrophobicContact SD-CE3 4.32Å; M107-W123 HydrophobicContact SD-CH2 3.51Å; M107-W123 VanDerWaalsContact SD-CH2 3.51Å; M107-W123 HydrophobicContact SD-CZ2 4.39Å; M107-W123 HydrophobicContact SD-CZ3 3.47Å; M107-W123 WeakPolarHBondContact SD-CZ3 2.98Å; M107-F172 PolarHBondContact N-O 2.95Å; M107-H173 HydrophobicContact CB-CB 4.49Å; M107-H173 CarbonylContact O-C 3.25Å; M107-H173 WeakPolarHBondContact O-CA 3.43Å; M107-Y174 PolarHBondContact O-N 2.91Å; M107-H212 WeakPolarHBondContact CB-NE2 3.34Å; M107-H212 VanDerWaalsContact CG-CE1 3.43Å; M107-H212 WeakPolarHBondContact CG-CE1 3.4Å; M107-H212 WeakPolarHBondContact CG-NE2 3.49Å
108L98.6Very high96.5Very high0 Ų048.5 Ų48.50%024%0.243CC..  trans-11017.9-173.4-56.5173.3000113.4V106 W177 F192 V211 H212 C213 R219 F223V106-L108 HydrophobicContact CG1-CD2 3.69Å; V106-L108 HydrophobicContact CG1-CG 4.02Å; L108-W177 HydrophobicContact CD1-CZ3 4.39Å; L108-W177 HydrophobicContact CD2-CE3 4.34Å; L108-W177 HydrophobicContact CD2-CZ3 4.32Å; L108-F192 HydrophobicContact CD2-CE1 3.97Å; L108-V211 HydrophobicContact CD1-CG1 3.97Å; L108-H212 PolarHBondContact N-O 2.95Å; L108-C213 HydrophobicContact CB-CB 4.21Å; L108-R219 HydrophobicContact CB-CB 3.98Å; L108-R219 HydrophobicContact CD1-CB 4.12Å; L108-R219 WeakPolarHBondContact CD1-O 3.09Å; L108-R219 VanDerWaalsContact O-CD 3.23Å; L108-R219 WeakPolarHBondContact O-CD 3.37Å; L108-R219 PolarHBondContact O-NE 3.16Å; L108-R219 PolarHBondContact O-NH1 3.48Å; L108-F223 HydrophobicContact CD1-CB 3.71Å; L108-F223 HydrophobicContact CD1-CG 4.29Å; L108-F223 HydrophobicContact CD2-CD2 4.45Å
109N97.2Very high96.5Very high0 Ų047.4 Ų47.40%024%0.238CC..SBendtrans-139.4162.7178.672.7-77.2000111.8M107 E113 C119 H173 C213 R219M107-N109 WeakPolarHBondContact CE-O 3.37Å; N109-E113 WeakPolarHBondContact CA-OE1 3.24Å; N109-C119 WeakPolarHBondContact ND2-CB 3.49Å; N109-H173 PolarHBondContact O-NE2 3.45Å; N109-C213 HydrophobicContact CB-CB 4.32Å; N109-C213 WeakPolarHBondContact OD1-CA 3.27Å; N109-C213 PolarHBondContact OD1-O 3.14Å; N109-C213 VanDerWaalsContact OD1-O 3.08Å; N109-R219 VanDerWaalsContact CA-NH1 3.26Å; N109-R219 VanDerWaalsContact CB-NH1 3.27Å
110R96.4Very high96.4Very high63 Ų6346.3 Ų46.324%0.23824%0.236CC..  trans-87.3156165.5-67.4170.9-68.3172.4-1.3110.6I112 E113 T175R110-I112 WeakPolarHBondContact CB-O 3.46Å; R110-I112 PolarHBondContact O-N 3.24Å; R110-E113 HydrophobicContact CB-CG 3.94Å; R110-E113 PolarHBondContact N-OE1 2.75Å; R110-T175 VanDerWaalsContact CD-O 3.27Å; R110-T175 WeakPolarHBondContact CD-O 3.49Å; R110-T175 WeakPolarHBondContact CG-O 3.21Å
111V96.1Very high96.4Very high34 Ų3447.1 Ų47.121%0.20624%0.239CC..SBendtrans-54.5-44.4174.8175.90000110.3M107 I117 K118 C119 W123M107-V111 HydrophobicContact CE-CG2 4.45Å; V111-I117 CarbonylContact O-C 3.56Å; V111-K118 PolarHBondContact O-N 3.29Å; V111-C119 VanDerWaalsContact CG1-O 3.28Å; V111-C119 WeakPolarHBondContact CG1-O 3.49Å; V111-C119 PolarHBondContact O-N 3.03Å; V111-W123 HydrophobicContact CG2-CH2 3.63Å; V111-W123 HydrophobicContact CG2-CZ2 4.44Å; V111-W123 HydrophobicContact CG2-CZ3 4.29Å
112I94.9Very high96.4Very high94 Ų9438.4 Ų38.448%0.48221%0.206SC..EExtended strand (participates in β ladder)trans-118.8129.4177.2-55.6176.3000108.9R110 S116 I117R110-I112 WeakPolarHBondContact CB-O 3.46Å; R110-I112 PolarHBondContact O-N 3.24Å; I112-S116 WeakPolarHBondContact CA-O 3.4Å; I112-I117 HydrophobicContact CG1-CG1 4.41Å
113E92Very high96.4Very high3 Ų338.7 Ų38.71%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-134.7132173.4-60178.4152.200109.1N109 R110 G115 S116 K118 D179 R219N109-E113 WeakPolarHBondContact CA-OE1 3.24Å; R110-E113 HydrophobicContact CB-CG 3.94Å; R110-E113 PolarHBondContact N-OE1 2.75Å; E113-G115 PolarHBondContact O-N 3.49Å; E113-S116 PolarHBondContact N-O 2.79Å; E113-S116 PolarHBondContact O-N 3.02Å; E113-K118 HydrophobicContact CB-CG 3.85Å; E113-K118 HydrophobicContact CG-CG 4.07Å; E113-D179 WeakPolarHBondContact OE2-CB 3.35Å; E113-R219 IonicContact OE1-CZ 3.99Å; E113-R219 IonicContact OE1-NH1 3.68Å; E113-R219 PolarHBondContact OE1-NH1 3.31Å; E113-R219 IonicContact OE1-NH2 2.79Å; E113-R219 PolarHBondContact OE1-NH2 3.4Å; E113-R219 IonicContact OE2-CZ 3.57Å; E113-R219 IonicContact OE2-NH1 2.89Å; E113-R219 IonicContact OE2-NH2 3.51Å; E113-R219 PolarHBondContact OE2-NH2 3.03Å
114K89.5Confident96.3Very high171 Ų17135.3 Ų35.374%0.74319%0.194SC*.THydrogen-bonded Turntrans50.841-178-56.6178.2-179.3174.10112S116K114-S116 VanDerWaalsContact C-N 3.26Å; K114-S116 PolarHBondContact O-N 3.16Å
115G89.5Confident95.9Very high73 Ų7339.7 Ų39.775%0.75322%0.215SC*.THydrogen-bonded Turntrans74418000000116E113E113-G115 PolarHBondContact O-N 3.49Å
116S92.6Very high95Very high64 Ų6447 Ų4745%0.44824%0.242SC..EExtended strand (participates in β ladder)trans-112.9140.2-178.7-62.20000111.9I112 E113 K114 K118I112-S116 WeakPolarHBondContact CA-O 3.4Å; E113-S116 PolarHBondContact N-O 2.79Å; E113-S116 PolarHBondContact O-N 3.02Å; K114-S116 VanDerWaalsContact C-N 3.26Å; K114-S116 PolarHBondContact O-N 3.16Å; S116-K118 PolarHBondContact O-N 2.82Å
117I96.1Very high94.2Very high119 Ų11954.5 Ų54.561%0.6128%0.277SS*.EExtended strand (participates in β ladder)trans-71.8112.3174.4-60172.2000109.6R43 V111 I112 C119R43-I117 PolarHBondContact NH1-O 3.31Å; V111-I117 CarbonylContact O-C 3.56Å; I112-I117 HydrophobicContact CG1-CG1 4.41Å; I117-C119 WeakPolarHBondContact CG2-O 2.92Å
118K97.3Very high93.4Very high32 Ų3260.2 Ų60.214%0.13930%0.304CS..  trans-99.1-19.8-178.6-66.7-65.5178154.10113.6R43 V111 E113 S116 D179 S214R43-K118 VanDerWaalsContact CZ-O 3.27Å; R43-K118 PolarHBondContact NE-O 3.32Å; V111-K118 PolarHBondContact O-N 3.29Å; E113-K118 HydrophobicContact CB-CG 3.85Å; E113-K118 HydrophobicContact CG-CG 4.07Å; S116-K118 PolarHBondContact O-N 2.82Å; K118-D179 WeakPolarHBondContact CE-OD2 3.38Å; K118-D179 IonicContact NZ-OD2 3.69Å; K118-D179 PolarHBondContact NZ-OD2 2.86Å; K118-S214 PolarHBondContact O-OG 3.18Å
119C98Very high92.6Very high0 Ų067.8 Ų67.80%034%0.337CS..SBendtrans-154.6147.4179.5-175.30000108.1M107 N109 V111 I117M107-C119 HydrophobicContact CE-CB 4.27Å; N109-C119 WeakPolarHBondContact ND2-CB 3.49Å; V111-C119 VanDerWaalsContact CG1-O 3.28Å; V111-C119 WeakPolarHBondContact CG1-O 3.49Å; V111-C119 PolarHBondContact O-N 3.03Å; I117-C119 WeakPolarHBondContact CG2-O 2.92Å
120A97.9Very high92.4Very high12 Ų1271.6 Ų71.610%0.09936%0.357CS..  trans-70.8158.4168.100000110.5P85 P87 Y122P85-A120 VanDerWaalsContact O-CB 3.32Å; P85-A120 WeakPolarHBondContact O-CB 3.37Å; P85-A120 PolarHBondContact O-N 2.89Å; P87-A120 HydrophobicContact CG-CB 4.39Å; A120-Y122 VanDerWaalsContact C-N 3.3Å; A120-Y122 WeakPolarHBondContact O-CD1 3.37Å; A120-Y122 PolarHBondContact O-N 2.95Å
121Q97.4Very high92.4Very high64 Ų6470.2 Ų70.230%0.29936%0.356SS..  trans-75.286.5166.6-174.459.747.200107.5W123 Q125Q121-W123 VanDerWaalsContact NE2-CD2 3.27Å; Q121-W123 PolarHBondContact NE2-O 2.85Å; Q121-Q125 HydrophobicContact CG-CG 4.21Å
122Y98.3Very high92.5Very high0 Ų073 Ų730%037%0.368CS..  trans-942.5-172.669.7-93.7000113.4P85 F93 W94 M107 A120 F133 H171 H212P85-Y122 HydrophobicContact CB-CD1 4.41Å; P85-Y122 HydrophobicContact CB-CG 4.45Å; P85-Y122 HydrophobicContact CG-CD1 3.87Å; P85-Y122 HydrophobicContact CG-CE1 4.37Å; P85-Y122 HydrophobicContact CG-CG 3.99Å; F93-Y122 AromaticContact CD1-CD2 3.98Å; F93-Y122 HydrophobicContact CD1-CD2 3.98Å; F93-Y122 HydrophobicContact CD1-CE2 4.18Å; F93-Y122 AromaticContact CE1-CD2 3.8Å; F93-Y122 HydrophobicContact CE1-CD2 3.8Å; F93-Y122 AromaticContact CE1-CE2 3.52Å; F93-Y122 HydrophobicContact CE1-CE2 3.52Å; F93-Y122 AromaticContact CZ-CE2 3.94Å; F93-Y122 HydrophobicContact CZ-CE2 3.94Å; W94-Y122 AromaticContact CE2-CD2 3.89Å; W94-Y122 HydrophobicContact CH2-CE2 4.31Å; W94-Y122 AromaticContact CZ2-CD2 3.6Å; W94-Y122 HydrophobicContact CZ2-CD2 3.6Å; W94-Y122 AromaticContact CZ2-CE2 3.79Å; W94-Y122 HydrophobicContact CZ2-CE2 3.79Å; W94-Y122 AromaticContact NE1-CD2 3.9Å; W94-Y122 PolarHBondContact NE1-O 3.39Å; M107-Y122 HydrophobicContact SD-CE1 3.91Å; A120-Y122 VanDerWaalsContact C-N 3.3Å; A120-Y122 WeakPolarHBondContact O-CD1 3.37Å; A120-Y122 PolarHBondContact O-N 2.95Å; Y122-F133 WeakPolarHBondContact O-CZ 3.49Å; Y122-H171 AromaticContact CZ-NE2 3.67Å; Y122-H171 PolarHBondContact OH-NE2 2.72Å; Y122-H212 AromaticContact CE1-CE1 3.74Å; Y122-H212 AromaticContact CE1-NE2 3.49Å; Y122-H212 WeakPolarHBondContact CE1-NE2 3.47Å; Y122-H212 AromaticContact CZ-NE2 3.43Å; Y122-H212 PolarHBondContact OH-NE2 3.13Å
123W98.3Very high92.6Very high12 Ų1269.5 Ų69.55%0.04535%0.35CS..SBendtrans-131.1155.1178.37194.7000109.6W94 M107 V111 Q121 L156W94-W123 HydrophobicContact CZ2-CB 4.39Å; M107-W123 HydrophobicContact CE-CH2 3.49Å; M107-W123 VanDerWaalsContact CE-CH2 3.49Å; M107-W123 HydrophobicContact CE-CZ3 3.66Å; M107-W123 HydrophobicContact SD-CE3 4.32Å; M107-W123 HydrophobicContact SD-CH2 3.51Å; M107-W123 VanDerWaalsContact SD-CH2 3.51Å; M107-W123 HydrophobicContact SD-CZ2 4.39Å; M107-W123 HydrophobicContact SD-CZ3 3.47Å; M107-W123 WeakPolarHBondContact SD-CZ3 2.98Å; V111-W123 HydrophobicContact CG2-CH2 3.63Å; V111-W123 HydrophobicContact CG2-CZ2 4.44Å; V111-W123 HydrophobicContact CG2-CZ3 4.29Å; Q121-W123 VanDerWaalsContact NE2-CD2 3.27Å; Q121-W123 PolarHBondContact NE2-O 2.85Å; W123-L156 HydrophobicContact CB-CD1 4.34Å
124P96.3Very high92.8Very high0 Ų077.4 Ų77.40%039%0.387CS..  trans-65.3141.8177.521.8-28.3000112.6E128 V131 V140 L142 L156P124-E128 WeakPolarHBondContact CB-O 3.45Å; P124-V131 HydrophobicContact CB-CG1 4.5Å; P124-V131 HydrophobicContact CG-CG1 4.44Å; P124-V140 HydrophobicContact CG-CG1 4.14Å; P124-L142 HydrophobicContact CB-CB 4.22Å; P124-L142 HydrophobicContact CG-CB 3.89Å; P124-L156 HydrophobicContact CG-CD2 4.48Å
125Q91.3Very high93Very high92 Ų9273.9 Ų73.943%0.4338%0.376SS..  trans-95.2175.4171.7-60.5-170.1-9400110.6Q121 E127 E128Q121-Q125 HydrophobicContact CG-CG 4.21Å; Q125-E127 WeakPolarHBondContact CB-OE2 3.43Å; Q125-E127 PolarHBondContact O-N 3.08Å; Q125-E127 VanDerWaalsContact O-N 3.16Å; Q125-E128 CarbonylContact O-C 3.59Å; Q125-E128 VanDerWaalsContact O-C 3.25Å; Q125-E128 PolarHBondContact O-N 2.78Å; Q125-E128 VanDerWaalsContact O-N 3.13Å
126R80.4Confident93.3Very high155 Ų15570.8 Ų70.859%0.58534%0.343SS*.SBendtrans-58.8-32.1-178.1-73-172.3179-165.5-3.8113.1E145R126-E145 WeakPolarHBondContact CG-OE2 3.41Å; R126-E145 IonicContact CZ-OE1 3.88Å; R126-E145 IonicContact NE-OE1 3.12Å; R126-E145 PolarHBondContact NE-OE1 3.38Å; R126-E145 IonicContact NE-OE2 3.02Å; R126-E145 IonicContact NH2-OE1 2.68Å; R126-E145 PolarHBondContact NH2-OE1 3.03Å
127E80.8Confident93.5Very high157 Ų15769.9 Ų69.973%0.73434%0.336SS*.SBendtrans-75.3-31.2-178.6-59.274.1-161.300112.1Q125Q125-E127 WeakPolarHBondContact CB-OE2 3.43Å; Q125-E127 PolarHBondContact O-N 3.08Å; Q125-E127 VanDerWaalsContact O-N 3.16Å
128E82.6Confident93.6Very high120 Ų12064.2 Ų64.256%0.56131%0.307SS*.  trans-11694.1-178-67.3177.5-176.800108.2P124 Q125 D130P124-E128 WeakPolarHBondContact CB-O 3.45Å; Q125-E128 CarbonylContact O-C 3.59Å; Q125-E128 VanDerWaalsContact O-C 3.25Å; Q125-E128 PolarHBondContact O-N 2.78Å; Q125-E128 VanDerWaalsContact O-N 3.13Å; E128-D130 PolarHBondContact O-N 2.94Å
129K82.5Confident93.7Very high158 Ų15864.7 Ų64.769%0.68731%0.309SS*.SBendtrans-60.4-30.7-172.9-72-170.9175.4-1750113.5T141 L142K129-T141 WeakPolarHBondContact O-CA 3.49Å; K129-L142 PolarHBondContact O-N 3.33Å
130D92.8Very high93.7Very high80 Ų8064.7 Ų64.743%0.42831%0.309SS..EExtended strand (participates in β ladder)trans-140.9154-177.962.1-33.9000112.5E128 K139 V140 T141E128-D130 PolarHBondContact O-N 2.94Å; D130-K139 HydrophobicContact CB-CD 4.47Å; D130-K139 HydrophobicContact CB-CG 4.36Å; D130-V140 CarbonylContact C-O 3.56Å; D130-V140 VanDerWaalsContact CA-O 3.24Å; D130-V140 WeakPolarHBondContact CA-O 3.39Å; D130-T141 HydrophobicContact CB-CG2 4.46Å
131V96.4Very high93.7Very high35 Ų3565.4 Ų65.421%0.21231%0.313CS..EExtended strand (participates in β ladder)trans-133.5134.3172.758.70000108.9P124 F133 K139 V140P124-V131 HydrophobicContact CB-CG1 4.5Å; P124-V131 HydrophobicContact CG-CG1 4.44Å; V131-F133 HydrophobicContact CB-CZ 4.39Å; V131-F133 HydrophobicContact CG1-CE2 3.69Å; V131-F133 HydrophobicContact CG1-CZ 3.69Å; V131-F133 HydrophobicContact CG2-CE1 4Å; V131-F133 HydrophobicContact CG2-CE2 4.23Å; V131-F133 HydrophobicContact CG2-CZ 3.76Å; V131-K139 WeakPolarHBondContact O-CA 3.39Å; V131-V140 HydrophobicContact CG1-CB 3.97Å; V131-V140 PolarHBondContact N-O 3.13Å; V131-V140 PolarHBondContact O-N 3.2Å
132I97.7Very high93.8Very high91 Ų9163.6 Ų63.647%0.46731%0.305SS..EExtended strand (participates in β ladder)trans-108.5129.8179.4-61.5172.7000109E134 K139 L161I132-E134 HydrophobicContact CG2-CG 4.19Å; I132-K139 HydrophobicContact CD1-CD 4.5Å; I132-K139 HydrophobicContact CG1-CB 4.16Å; I132-K139 HydrophobicContact CG1-CD 4.15Å; I132-K139 HydrophobicContact CG1-CG 3.87Å; I132-L161 HydrophobicContact CG2-CD1 3.91Å
133F97.2Very high93.8Very high21 Ų2167.8 Ų67.89%0.09233%0.326CS..EExtended strand (participates in β ladder)trans-104.989.7174-57.7-73.7000108.7C90 W94 Y122 V131 D135 T136 S137 F138 V140C90-F133 HydrophobicContact CB-CD1 3.8Å; C90-F133 HydrophobicContact CB-CE1 3.3Å; C90-F133 HydrophobicContact CB-CZ 4.03Å; W94-F133 AromaticContact CD1-CD2 3.6Å; W94-F133 AromaticContact CD1-CE2 3.15Å; W94-F133 AromaticContact CD1-CZ 3.66Å; W94-F133 HydrophobicContact CG-CD2 4.39Å; W94-F133 HydrophobicContact CG-CE2 4.18Å; W94-F133 AromaticContact NE1-CE2 3.38Å; W94-F133 AromaticContact NE1-CZ 3.65Å; Y122-F133 WeakPolarHBondContact O-CZ 3.49Å; V131-F133 HydrophobicContact CB-CZ 4.39Å; V131-F133 HydrophobicContact CG1-CE2 3.69Å; V131-F133 HydrophobicContact CG1-CZ 3.69Å; V131-F133 HydrophobicContact CG2-CE1 4Å; V131-F133 HydrophobicContact CG2-CE2 4.23Å; V131-F133 HydrophobicContact CG2-CZ 3.76Å; F133-D135 VanDerWaalsContact C-N 3.28Å; F133-D135 PolarHBondContact O-N 2.63Å; F133-T136 PolarHBondContact O-N 2.73Å; F133-S137 WeakPolarHBondContact O-CA 3.48Å; F133-S137 PolarHBondContact O-N 3.35Å; F133-F138 PolarHBondContact N-O 3.18Å; F133-F138 PolarHBondContact O-N 2.8Å; F133-V140 HydrophobicContact CD2-CG2 4.34Å; F133-V140 HydrophobicContact CE2-CB 4.41Å; F133-V140 HydrophobicContact CE2-CG2 3.81Å
134E95Very high93.7Very high170 Ų17069.9 Ų69.979%0.79434%0.343SS*.THydrogen-bonded Turntrans-61.3-34.8-174-63.4-176.7170.800113I132 T136 S137I132-E134 HydrophobicContact CG2-CG 4.19Å; E134-T136 PolarHBondContact O-N 2.84Å; E134-S137 PolarHBondContact O-N 2.9Å
135D94.1Very high93.7Very high96 Ų9672 Ų7251%0.51335%0.353SS..THydrogen-bonded Turntrans-59.4-28.7-179.664.6-22.4000113.7F133F133-D135 VanDerWaalsContact C-N 3.28Å; F133-D135 PolarHBondContact O-N 2.63Å
136T96.1Very high93.9Very high9 Ų971.3 Ų71.36%0.05535%0.352CS..THydrogen-bonded Turntrans-123.90.5-176500000113G91 E95 F133 E134 F138G91-T136 WeakPolarHBondContact CA-OG1 3.42Å; G91-T136 PolarHBondContact O-OG1 3.37Å; E95-T136 HydrophobicContact CB-CG2 4.22Å; E95-T136 WeakPolarHBondContact OE2-CG2 3.16Å; F133-T136 PolarHBondContact O-N 2.73Å; E134-T136 PolarHBondContact O-N 2.84Å; T136-F138 VanDerWaalsContact C-N 3.33Å; T136-F138 WeakPolarHBondContact O-CD2 3.1Å; T136-F138 WeakPolarHBondContact O-CE2 3.41Å; T136-F138 PolarHBondContact O-N 2.75Å
137S97.4Very high94.6Very high45 Ų4567.4 Ų67.432%0.31534%0.342SS..THydrogen-bonded Turntrans56.641-179.9-61.80000113.9F133 E134 L161F133-S137 WeakPolarHBondContact O-CA 3.48Å; F133-S137 PolarHBondContact O-N 3.35Å; E134-S137 PolarHBondContact O-N 2.9Å; S137-L161 VanDerWaalsContact O-CB 3.27Å; S137-L161 WeakPolarHBondContact O-CB 3.25Å; S137-L161 WeakPolarHBondContact O-CG 3.44Å; S137-L161 PolarHBondContact O-N 3.05Å
138F98.4Very high95.2Very high0 Ų061.4 Ų61.40%031%0.313CS..EExtended strand (participates in β ladder)trans-111.5144173.2-72.8-75.7000111.8L59 W94 E95 W98 F133 T136 L158 E159 N160L59-F138 HydrophobicContact CD1-CE2 3.89Å; L59-F138 HydrophobicContact CD1-CZ 4.29Å; W94-F138 HydrophobicContact CB-CB 4.41Å; E95-F138 VanDerWaalsContact CA-CE2 3.45Å; E95-F138 HydrophobicContact CB-CD2 4.35Å; E95-F138 HydrophobicContact CB-CE2 3.77Å; E95-F138 HydrophobicContact CG-CE2 4.25Å; W98-F138 HydrophobicContact CB-CE1 3.58Å; W98-F138 HydrophobicContact CB-CZ 3.61Å; W98-F138 AromaticContact CD1-CE1 3.96Å; W98-F138 AromaticContact CD1-CZ 3.83Å; W98-F138 AromaticContact CD2-CE1 3.64Å; W98-F138 HydrophobicContact CD2-CE1 3.64Å; W98-F138 HydrophobicContact CD2-CZ 4.29Å; W98-F138 AromaticContact CE3-CE1 3.98Å; W98-F138 HydrophobicContact CE3-CE1 3.98Å; W98-F138 AromaticContact CG-CE1 3.44Å; W98-F138 HydrophobicContact CG-CE1 3.44Å; W98-F138 VanDerWaalsContact CG-CE1 3.44Å; W98-F138 AromaticContact CG-CZ 3.63Å; W98-F138 HydrophobicContact CG-CZ 3.63Å; F133-F138 PolarHBondContact N-O 3.18Å; F133-F138 PolarHBondContact O-N 2.8Å; T136-F138 VanDerWaalsContact C-N 3.33Å; T136-F138 WeakPolarHBondContact O-CD2 3.1Å; T136-F138 WeakPolarHBondContact O-CE2 3.41Å; T136-F138 PolarHBondContact O-N 2.75Å; F138-L158 HydrophobicContact CB-CD1 4.11Å; F138-L158 HydrophobicContact CD1-CD1 3.83Å; F138-L158 HydrophobicContact CD1-CG 4.29Å; F138-L158 HydrophobicContact CG-CD1 4.24Å; F138-E159 WeakPolarHBondContact CA-O 3.35Å; F138-E159 WeakPolarHBondContact CD1-O 3.43Å; F138-N160 HydrophobicContact CD1-CB 4.22Å; F138-N160 HydrophobicContact CE1-CB 3.77Å
139K98.4Very high95.7Very high42 Ų4256.2 Ų56.218%0.18329%0.291CS..EExtended strand (participates in β ladder)trans-119.6137.4168.9-179.8-178.372.2-166.20109.3D130 V131 I132 E159 L161D130-K139 HydrophobicContact CB-CD 4.47Å; D130-K139 HydrophobicContact CB-CG 4.36Å; V131-K139 WeakPolarHBondContact O-CA 3.39Å; I132-K139 HydrophobicContact CD1-CD 4.5Å; I132-K139 HydrophobicContact CG1-CB 4.16Å; I132-K139 HydrophobicContact CG1-CD 4.15Å; I132-K139 HydrophobicContact CG1-CG 3.87Å; K139-E159 HydrophobicContact CB-CB 4.36Å; K139-E159 WeakPolarHBondContact CE-OE2 3.39Å; K139-E159 PolarHBondContact N-O 3.03Å; K139-E159 IonicContact NZ-OE1 2.63Å; K139-E159 IonicContact NZ-OE2 3.94Å; K139-E159 PolarHBondContact NZ-OE2 3.43Å; K139-E159 PolarHBondContact O-N 3.27Å; K139-L161 HydrophobicContact CB-CD1 4.34Å; K139-L161 HydrophobicContact CB-CD2 3.91Å; K139-L161 HydrophobicContact CB-CG 4.23Å
140V98.6Very high96.2Very high0 Ų049.1 Ų49.10%026%0.259CS..EExtended strand (participates in β ladder)trans-119.6125.6176.1-176.50000108.7W94 P124 D130 V131 F133 L156 E157 L158W94-V140 HydrophobicContact CD2-CG2 3.72Å; W94-V140 HydrophobicContact CE3-CG2 4.27Å; W94-V140 HydrophobicContact CG-CG2 3.93Å; W94-V140 HydrophobicContact CH2-CG1 4.33Å; W94-V140 HydrophobicContact CZ2-CG1 4.06Å; W94-V140 HydrophobicContact CZ2-CG2 4.09Å; P124-V140 HydrophobicContact CG-CG1 4.14Å; D130-V140 CarbonylContact C-O 3.56Å; D130-V140 VanDerWaalsContact CA-O 3.24Å; D130-V140 WeakPolarHBondContact CA-O 3.39Å; V131-V140 HydrophobicContact CG1-CB 3.97Å; V131-V140 PolarHBondContact N-O 3.13Å; V131-V140 PolarHBondContact O-N 3.2Å; F133-V140 HydrophobicContact CD2-CG2 4.34Å; F133-V140 HydrophobicContact CE2-CB 4.41Å; F133-V140 HydrophobicContact CE2-CG2 3.81Å; V140-L156 HydrophobicContact CG1-CB 4.24Å; V140-L156 HydrophobicContact CG1-CD1 4.22Å; V140-L156 HydrophobicContact CG1-CD2 4.5Å; V140-E157 CarbonylContact C-O 3.4Å; V140-E157 WeakPolarHBondContact CA-O 3.44Å; V140-L158 HydrophobicContact CG2-CD1 3.7Å
141T98.4Very high96.4Very high27 Ų2745.5 Ų45.517%0.16624%0.24CC..EExtended strand (participates in β ladder)trans-116134.8-179.5-48.40000109.9K129 D130 I143 L156 E157K129-T141 WeakPolarHBondContact O-CA 3.49Å; D130-T141 HydrophobicContact CB-CG2 4.46Å; T141-I143 HydrophobicContact CG2-CD1 4.17Å; T141-L156 CarbonylContact O-C 3.53Å; T141-L156 WeakPolarHBondContact O-CA 3.47Å; T141-E157 PolarHBondContact N-O 2.9Å; T141-E157 PolarHBondContact O-N 2.65Å
142L98.4Very high96.4Very high26 Ų2644.2 Ų44.214%0.13623%0.232CC..EExtended strand (participates in β ladder)trans-78.9118.4170.4-179.260.8000109.7P124 K129 R154 L156P124-L142 HydrophobicContact CB-CB 4.22Å; P124-L142 HydrophobicContact CG-CB 3.89Å; K129-L142 PolarHBondContact O-N 3.33Å; L142-R154 HydrophobicContact CD1-CB 4Å; L142-R154 HydrophobicContact CD1-CG 4.41Å; L142-L156 HydrophobicContact CB-CD2 4.46Å; L142-L156 HydrophobicContact CD1-CD2 3.77Å
143I97.6Very high96.4Very high88 Ų8841.5 Ų41.545%0.45122%0.219SC..EExtended strand (participates in β ladder)trans-93.8-50.7178.7-54.9-56.2000110.9T141 Q155 E157T141-I143 HydrophobicContact CG2-CD1 4.17Å; I143-Q155 HydrophobicContact CB-CB 4.25Å; I143-Q155 HydrophobicContact CB-CG 4.26Å; I143-Q155 WeakPolarHBondContact CB-O 3.44Å; I143-Q155 PolarHBondContact N-O 3.42Å; I143-E157 HydrophobicContact CD1-CB 3.83Å; I143-E157 HydrophobicContact CG1-CB 3.92Å
144S96.8Very high96.5Very high56 Ų5641.8 Ų41.839%0.39222%0.22SC..EExtended strand (participates in β ladder)trans-154.1160.2179.366.40000111.3R154 Q155S144-R154 CarbonylContact O-C 3.59Å; S144-R154 VanDerWaalsContact O-CA 3.32Å; S144-R154 WeakPolarHBondContact O-CA 3.5Å; S144-Q155 PolarHBondContact N-O 3.11Å; S144-Q155 PolarHBondContact O-N 2.89Å; S144-Q155 VanDerWaalsContact OG-CB 3.27Å; S144-Q155 WeakPolarHBondContact OG-CB 3.31Å; S144-Q155 PolarHBondContact OG-OE1 3.03Å; S144-Q155 VanDerWaalsContact OG-OE1 3.12Å
145E96Very high96.6Very high45 Ų4536.4 Ų36.421%0.2120%0.195CC..EExtended strand (participates in β ladder)trans-144.9136.9173.251.5164.4-102.800112.1R126 I147 V153 R154R126-E145 WeakPolarHBondContact CG-OE2 3.41Å; R126-E145 IonicContact CZ-OE1 3.88Å; R126-E145 IonicContact NE-OE1 3.12Å; R126-E145 PolarHBondContact NE-OE1 3.38Å; R126-E145 IonicContact NE-OE2 3.02Å; R126-E145 IonicContact NH2-OE1 2.68Å; R126-E145 PolarHBondContact NH2-OE1 3.03Å; E145-I147 WeakPolarHBondContact OE1-CD1 3.49Å; E145-I147 WeakPolarHBondContact OE1-CG1 3.2Å; E145-V153 CarbonylContact C-O 3.59Å; E145-V153 WeakPolarHBondContact CA-O 3.28Å; E145-R154 HydrophobicContact CB-CB 4.49Å; E145-R154 HydrophobicContact CB-CG 4.02Å
146D95.8Very high96.9Very high77 Ų7731.9 Ų31.941%0.41217%0.171SC..EExtended strand (participates in β ladder)trans-115.4106.1174.1-178.121.1000108.2K148 T152 V153D146-K148 WeakPolarHBondContact OD1-CE 3.45Å; D146-K148 IonicContact OD1-NZ 3.06Å; D146-K148 VanDerWaalsContact OD2-CE 3.31Å; D146-K148 WeakPolarHBondContact OD2-CE 3.19Å; D146-K148 IonicContact OD2-NZ 3.57Å; D146-T152 WeakPolarHBondContact O-CA 3.42Å; D146-V153 PolarHBondContact N-O 3.27Å; D146-V153 PolarHBondContact O-N 3.41Å
147I95.3Very high97Very high73 Ų7334.6 Ų34.637%0.37418%0.183SC..EExtended strand (participates in β ladder)trans-92.5122.6-179.3-56.7175.9000108.5E145 T152 P299E145-I147 WeakPolarHBondContact OE1-CD1 3.49Å; E145-I147 WeakPolarHBondContact OE1-CG1 3.2Å; I147-T152 HydrophobicContact CG1-CG2 3.92Å; I147-P299 HydrophobicContact CG2-CB 4.28Å; I147-P299 HydrophobicContact CG2-CG 4.02Å
148K94.1Very high97Very high30 Ų3032.4 Ų32.413%0.1317%0.168CC..  trans-111.2172.4170.9-59.3-55-173.8-175.40110.4D146 Y150 Y151 E295 E296D146-K148 WeakPolarHBondContact OD1-CE 3.45Å; D146-K148 IonicContact OD1-NZ 3.06Å; D146-K148 VanDerWaalsContact OD2-CE 3.31Å; D146-K148 WeakPolarHBondContact OD2-CE 3.19Å; D146-K148 IonicContact OD2-NZ 3.57Å; K148-Y150 VanDerWaalsContact C-N 3.33Å; K148-Y150 PolarHBondContact O-N 3.02Å; K148-Y151 CarbonylContact C-O 3.5Å; K148-Y151 WeakPolarHBondContact CA-O 3.28Å; K148-Y151 HydrophobicContact CB-CD1 3.82Å; K148-Y151 HydrophobicContact CB-CE1 3.7Å; K148-Y151 HydrophobicContact CB-CE2 4.41Å; K148-Y151 HydrophobicContact CB-CG 4.27Å; K148-Y151 WeakPolarHBondContact CB-O 3.36Å; K148-Y151 HydrophobicContact CG-CD1 4.34Å; K148-Y151 HydrophobicContact CG-CD2 4.47Å; K148-Y151 HydrophobicContact CG-CE1 3.81Å; K148-Y151 HydrophobicContact CG-CE2 3.95Å; K148-Y151 PolarHBondContact N-O 3.44Å; K148-Y151 VanDerWaalsContact O-O 3.05Å; K148-E295 HydrophobicContact CB-CB 4.47Å; K148-E295 WeakPolarHBondContact CB-O 3.24Å; K148-E296 IonicContact NZ-OE1 2.64Å; K148-E296 IonicContact NZ-OE2 2.7Å; K148-E296 PolarHBondContact NZ-OE2 3.49Å
149S92.8Very high97.1Very high12 Ų1233.3 Ų33.38%0.08417%0.172CC..SBendtrans-58.9-39.8-175.364.50000113.7N294 E295 D297 P300S149-N294 WeakPolarHBondContact CB-O 3.39Å; S149-N294 PolarHBondContact OG-O 3.37Å; S149-E295 PolarHBondContact N-O 3.18Å; S149-E295 VanDerWaalsContact OG-CA 3.31Å; S149-E295 WeakPolarHBondContact OG-CA 3.48Å; S149-D297 VanDerWaalsContact CB-O 3.24Å; S149-D297 WeakPolarHBondContact CB-O 3.38Å; S149-P300 WeakPolarHBondContact O-CD 3.48Å
150Y93Very high97Very high8 Ų831.9 Ų31.93%0.03117%0.166CC..SBendtrans-121.7-0.7-17762.4-90.2000115.3K148 Y174 T175 T176 S188 N191 F192 S293 E295K148-Y150 VanDerWaalsContact C-N 3.33Å; K148-Y150 PolarHBondContact O-N 3.02Å; Y150-Y174 HydrophobicContact CD2-CD2 4.29Å; Y150-Y174 HydrophobicContact CD2-CE1 4.48Å; Y150-Y174 AromaticContact CD2-CE2 3.67Å; Y150-Y174 HydrophobicContact CD2-CE2 3.67Å; Y150-Y174 AromaticContact CD2-CZ 3.78Å; Y150-Y174 HydrophobicContact CE2-CE2 4.03Å; Y150-T175 PolarHBondContact O-N 2.86Å; Y150-T175 PolarHBondContact O-OG1 3.5Å; Y150-T175 VanDerWaalsContact O-OG1 3.09Å; Y150-T176 VanDerWaalsContact CB-OG1 3.26Å; Y150-T176 WeakPolarHBondContact CB-OG1 3.37Å; Y150-S188 VanDerWaalsContact CE2-O 3.27Å; Y150-S188 WeakPolarHBondContact CE2-O 3.33Å; Y150-N191 WeakPolarHBondContact OH-CB 3.17Å; Y150-N191 PolarHBondContact OH-ND2 3.3Å; Y150-F192 HydrophobicContact CE2-CB 4.2Å; Y150-S293 WeakPolarHBondContact CD1-O 3.05Å; Y150-S293 VanDerWaalsContact CE1-CB 3.47Å; Y150-S293 VanDerWaalsContact CE1-O 3.27Å; Y150-S293 WeakPolarHBondContact CE1-O 3.48Å; Y150-S293 WeakPolarHBondContact CE1-OG 3.28Å; Y150-S293 WeakPolarHBondContact OH-CB 3.37Å; Y150-S293 PolarHBondContact OH-OG 2.98Å; Y150-E295 HydrophobicContact CD1-CB 4.49Å; Y150-E295 HydrophobicContact CE1-CB 3.6Å
151Y96.1Very high97Very high5 Ų534.3 Ų34.32%0.0218%0.179CC..EExtended strand (participates in β ladder)trans-148.8165.6174.771.4-80.2000112.1K148 V153 H173 F192 K195 E295K148-Y151 CarbonylContact C-O 3.5Å; K148-Y151 WeakPolarHBondContact CA-O 3.28Å; K148-Y151 HydrophobicContact CB-CD1 3.82Å; K148-Y151 HydrophobicContact CB-CE1 3.7Å; K148-Y151 HydrophobicContact CB-CE2 4.41Å; K148-Y151 HydrophobicContact CB-CG 4.27Å; K148-Y151 WeakPolarHBondContact CB-O 3.36Å; K148-Y151 HydrophobicContact CG-CD1 4.34Å; K148-Y151 HydrophobicContact CG-CD2 4.47Å; K148-Y151 HydrophobicContact CG-CE1 3.81Å; K148-Y151 HydrophobicContact CG-CE2 3.95Å; K148-Y151 PolarHBondContact N-O 3.44Å; K148-Y151 VanDerWaalsContact O-O 3.05Å; Y151-V153 HydrophobicContact CD2-CG2 3.8Å; Y151-V153 HydrophobicContact CE2-CG2 3.67Å; Y151-H173 CarbonylContact C-O 3.56Å; Y151-H173 WeakPolarHBondContact CA-O 3.42Å; Y151-H173 WeakPolarHBondContact CB-O 3.38Å; Y151-F192 HydrophobicContact CD1-CD2 4.35Å; Y151-F192 AromaticContact CD2-CD2 3.88Å; Y151-F192 HydrophobicContact CD2-CD2 3.88Å; Y151-F192 HydrophobicContact CD2-CE2 4.15Å; Y151-F192 AromaticContact CG-CD2 3.7Å; Y151-F192 HydrophobicContact CG-CD2 3.7Å; Y151-F192 HydrophobicContact CG-CE2 4.17Å; Y151-K195 HydrophobicContact CE2-CG 4.49Å; Y151-E295 HydrophobicContact CE1-CB 4.14Å; Y151-E295 WeakPolarHBondContact CE1-OE2 3.33Å; Y151-E295 PolarHBondContact OH-OE2 3.46Å
152T96.9Very high96.9Very high8 Ų837.4 Ų37.45%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-134.4136.8172.9-55.20000108.4D146 I147 R154 H173D146-T152 WeakPolarHBondContact O-CA 3.42Å; I147-T152 HydrophobicContact CG1-CG2 3.92Å; T152-R154 HydrophobicContact CG2-CG 4.07Å; T152-H173 PolarHBondContact N-O 2.97Å; T152-H173 PolarHBondContact O-N 3.15Å
153V98.3Very high96.9Very high33 Ų3339.9 Ų39.920%0.222%0.218CC..EExtended strand (participates in β ladder)trans-109.2125.3171.1-173.90000108.1E145 D146 Y151 H171 F172E145-V153 CarbonylContact C-O 3.59Å; E145-V153 WeakPolarHBondContact CA-O 3.28Å; D146-V153 PolarHBondContact N-O 3.27Å; D146-V153 PolarHBondContact O-N 3.41Å; Y151-V153 HydrophobicContact CD2-CG2 3.8Å; Y151-V153 HydrophobicContact CE2-CG2 3.67Å; V153-H171 CarbonylContact C-O 3.6Å; V153-H171 WeakPolarHBondContact CA-O 3.27Å; V153-F172 HydrophobicContact CG1-CD1 4.16Å; V153-F172 HydrophobicContact CG1-CE1 3.96Å; V153-F172 HydrophobicContact CG2-CD1 3.9Å; V153-F172 HydrophobicContact CG2-CE1 4.19Å
154R98.3Very high96.8Very high28 Ų2841.8 Ų41.811%0.10623%0.225CC..EExtended strand (participates in β ladder)trans-115.5143.1174.1-44.5-177.3174.981.65.2110.3L142 S144 E145 T152 L156 H171 H173L142-R154 HydrophobicContact CD1-CB 4Å; L142-R154 HydrophobicContact CD1-CG 4.41Å; S144-R154 CarbonylContact O-C 3.59Å; S144-R154 VanDerWaalsContact O-CA 3.32Å; S144-R154 WeakPolarHBondContact O-CA 3.5Å; E145-R154 HydrophobicContact CB-CB 4.49Å; E145-R154 HydrophobicContact CB-CG 4.02Å; T152-R154 HydrophobicContact CG2-CG 4.07Å; R154-L156 HydrophobicContact CB-CD2 4.24Å; R154-L156 HydrophobicContact CB-CG 4.45Å; R154-H171 HydrophobicContact CB-CB 4.1Å; R154-H171 PolarHBondContact N-O 2.85Å; R154-H171 PolarHBondContact NH1-CE1 3.08Å; R154-H171 VanDerWaalsContact NH1-CE1 3.28Å; R154-H171 PolarHBondContact NH1-ND1 2.77Å; R154-H171 PolarHBondContact O-N 2.8Å; R154-H173 PolarHBondContact NH1-ND1 3.07Å
155Q98.4Very high96.9Very high57 Ų5744.2 Ų44.227%0.26623%0.23SC..EExtended strand (participates in β ladder)trans-98.3119.6165.2-168-178.726.400107.3I143 S144 E168 L170I143-Q155 HydrophobicContact CB-CB 4.25Å; I143-Q155 HydrophobicContact CB-CG 4.26Å; I143-Q155 WeakPolarHBondContact CB-O 3.44Å; I143-Q155 PolarHBondContact N-O 3.42Å; S144-Q155 PolarHBondContact N-O 3.11Å; S144-Q155 PolarHBondContact O-N 2.89Å; S144-Q155 VanDerWaalsContact OG-CB 3.27Å; S144-Q155 WeakPolarHBondContact OG-CB 3.31Å; S144-Q155 PolarHBondContact OG-OE1 3.03Å; S144-Q155 VanDerWaalsContact OG-OE1 3.12Å; Q155-E168 HydrophobicContact CG-CG 3.72Å; Q155-E168 VanDerWaalsContact NE2-CD 3.25Å; Q155-E168 PolarHBondContact NE2-OE2 2.79Å; Q155-L170 HydrophobicContact CB-CD2 4.49Å; Q155-L170 HydrophobicContact CG-CD2 4.34Å
156L98.7Very high97Very high1 Ų145.5 Ų45.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-113.6145.6178.8-56.1176.7000109.1W94 W123 P124 V140 T141 L142 R154 E168 I169 H171W94-L156 HydrophobicContact CH2-CD1 3.72Å; W94-L156 HydrophobicContact CZ2-CD1 4.3Å; W123-L156 HydrophobicContact CB-CD1 4.34Å; P124-L156 HydrophobicContact CG-CD2 4.48Å; V140-L156 HydrophobicContact CG1-CB 4.24Å; V140-L156 HydrophobicContact CG1-CD1 4.22Å; V140-L156 HydrophobicContact CG1-CD2 4.5Å; T141-L156 CarbonylContact O-C 3.53Å; T141-L156 WeakPolarHBondContact O-CA 3.47Å; L142-L156 HydrophobicContact CB-CD2 4.46Å; L142-L156 HydrophobicContact CD1-CD2 3.77Å; R154-L156 HydrophobicContact CB-CD2 4.24Å; R154-L156 HydrophobicContact CB-CG 4.45Å; L156-E168 CarbonylContact O-C 3.45Å; L156-E168 WeakPolarHBondContact O-CA 3.33Å; L156-I169 HydrophobicContact CB-CB 4.38Å; L156-I169 PolarHBondContact N-O 2.76Å; L156-I169 PolarHBondContact O-N 3.31Å; L156-H171 HydrophobicContact CD1-CB 3.88Å; L156-H171 HydrophobicContact CG-CB 4.33Å
157E98.6Very high97.2Very high65 Ų6545.3 Ų45.330%0.30423%0.234SC..EExtended strand (participates in β ladder)trans-104120.8165.7-177.5177.675.800108.4V140 T141 I143 T166V140-E157 CarbonylContact C-O 3.4Å; V140-E157 WeakPolarHBondContact CA-O 3.44Å; T141-E157 PolarHBondContact N-O 2.9Å; T141-E157 PolarHBondContact O-N 2.65Å; I143-E157 HydrophobicContact CD1-CB 3.83Å; I143-E157 HydrophobicContact CG1-CB 3.92Å; E157-T166 HydrophobicContact CG-CG2 4.26Å
158L98.8Very high97.3Very high0 Ų044.7 Ų44.70%023%0.23CC..EExtended strand (participates in β ladder)trans-100.6117.2172.9177.363.9000108.3W94 V97 W98 F138 V140 T166 R167 I169W94-L158 HydrophobicContact CB-CD1 4.06Å; W94-L158 HydrophobicContact CD2-CD1 4.29Å; W94-L158 HydrophobicContact CE3-CD1 4.04Å; W94-L158 HydrophobicContact CE3-CD2 4.04Å; W94-L158 HydrophobicContact CG-CD1 4.34Å; V97-L158 HydrophobicContact CB-CD2 4.43Å; V97-L158 HydrophobicContact CG1-CD2 3.9Å; W98-L158 HydrophobicContact CB-CD2 4.16Å; W98-L158 HydrophobicContact CE3-CD2 3.86Å; W98-L158 HydrophobicContact CE3-CG 3.94Å; W98-L158 HydrophobicContact CZ3-CG 4.44Å; F138-L158 HydrophobicContact CB-CD1 4.11Å; F138-L158 HydrophobicContact CD1-CD1 3.83Å; F138-L158 HydrophobicContact CD1-CG 4.29Å; F138-L158 HydrophobicContact CG-CD1 4.24Å; V140-L158 HydrophobicContact CG2-CD1 3.7Å; L158-T166 CarbonylContact O-C 3.55Å; L158-T166 WeakPolarHBondContact O-CA 3.47Å; L158-R167 PolarHBondContact N-O 2.96Å; L158-R167 PolarHBondContact O-N 3.43Å; L158-I169 HydrophobicContact CB-CG1 3.85Å; L158-I169 HydrophobicContact CD2-CD1 4.45Å; L158-I169 HydrophobicContact CD2-CG1 4.3Å
159E98.7Very high97.6Very high19 Ų1943.4 Ų43.49%0.08922%0.224CC..EExtended strand (participates in β ladder)trans-108.9129.7178.3-176.8-178.4147.900110.2F138 K139 L161 Q164 E165 T166F138-E159 WeakPolarHBondContact CA-O 3.35Å; F138-E159 WeakPolarHBondContact CD1-O 3.43Å; K139-E159 HydrophobicContact CB-CB 4.36Å; K139-E159 WeakPolarHBondContact CE-OE2 3.39Å; K139-E159 PolarHBondContact N-O 3.03Å; K139-E159 IonicContact NZ-OE1 2.63Å; K139-E159 IonicContact NZ-OE2 3.94Å; K139-E159 PolarHBondContact NZ-OE2 3.43Å; K139-E159 PolarHBondContact O-N 3.27Å; E159-L161 HydrophobicContact CG-CD2 4.3Å; E159-L161 WeakPolarHBondContact OE1-CD2 3.44Å; E159-Q164 PolarHBondContact OE1-OE1 2.91Å; E159-E165 WeakPolarHBondContact CA-O 3.43Å; E159-T166 HydrophobicContact CB-CG2 3.96Å; E159-T166 HydrophobicContact CG-CG2 3.86Å
160N98.3Very high97.8Very high12 Ų1244.1 Ų44.16%0.06423%0.227CC..EExtended strand (participates in β ladder)trans-86.9105.9167.9180-53.6000108.6W98 F138 S162 T163 Q164 E165W98-N160 HydrophobicContact CD2-CB 4.26Å; W98-N160 HydrophobicContact CE3-CB 4.42Å; W98-N160 HydrophobicContact CH2-CB 3.78Å; W98-N160 HydrophobicContact CZ2-CB 3.57Å; W98-N160 HydrophobicContact CZ3-CB 4.19Å; W98-N160 PolarHBondContact NE1-ND2 2.79Å; F138-N160 HydrophobicContact CD1-CB 4.22Å; F138-N160 HydrophobicContact CE1-CB 3.77Å; N160-S162 PolarHBondContact O-N 3.27Å; N160-S162 WeakPolarHBondContact OD1-CB 3.39Å; N160-S162 PolarHBondContact OD1-N 3.33Å; N160-S162 VanDerWaalsContact OD1-N 3.12Å; N160-T163 WeakPolarHBondContact CB-OG1 3.23Å; N160-T163 PolarHBondContact O-N 3.1Å; N160-T163 VanDerWaalsContact O-N 3.16Å; N160-T163 PolarHBondContact O-OG1 3.39Å; N160-T163 PolarHBondContact OD1-N 3.38Å; N160-T163 PolarHBondContact OD1-OG1 2.97Å; N160-Q164 WeakPolarHBondContact O-CA 3.16Å; N160-Q164 PolarHBondContact O-N 2.73Å; N160-E165 PolarHBondContact N-O 3.17Å
161L97.9Very high98.1Very high51 Ų5143.7 Ų43.727%0.26723%0.226SC..THydrogen-bonded Turntrans-65.9-24.7-173.1-62173.9000112.9I132 S137 K139 E159 Q164I132-L161 HydrophobicContact CG2-CD1 3.91Å; S137-L161 VanDerWaalsContact O-CB 3.27Å; S137-L161 WeakPolarHBondContact O-CB 3.25Å; S137-L161 WeakPolarHBondContact O-CG 3.44Å; S137-L161 PolarHBondContact O-N 3.05Å; K139-L161 HydrophobicContact CB-CD1 4.34Å; K139-L161 HydrophobicContact CB-CD2 3.91Å; K139-L161 HydrophobicContact CB-CG 4.23Å; E159-L161 HydrophobicContact CG-CD2 4.3Å; E159-L161 WeakPolarHBondContact OE1-CD2 3.44Å; L161-Q164 PolarHBondContact O-NE2 2.91Å
162S96.6Very high98.2Very high92 Ų9243.7 Ų43.764%0.64323%0.226SC*.THydrogen-bonded Turntrans-73.5-31177.7-49.40000112.9N160N160-S162 PolarHBondContact O-N 3.27Å; N160-S162 WeakPolarHBondContact OD1-CB 3.39Å; N160-S162 PolarHBondContact OD1-N 3.33Å; N160-S162 VanDerWaalsContact OD1-N 3.12Å
163T97.1Very high98.3Very high77 Ų7743.9 Ų43.947%0.47223%0.226SC..THydrogen-bonded Turntrans-111.6-15.7-176.159.40000113.8N160 E165N160-T163 WeakPolarHBondContact CB-OG1 3.23Å; N160-T163 PolarHBondContact O-N 3.1Å; N160-T163 VanDerWaalsContact O-N 3.16Å; N160-T163 PolarHBondContact O-OG1 3.39Å; N160-T163 PolarHBondContact OD1-N 3.38Å; N160-T163 PolarHBondContact OD1-OG1 2.97Å; T163-E165 PolarHBondContact O-N 3.45Å; T163-E165 PolarHBondContact OG1-N 2.96Å
164Q97.3Very high98.3Very high128 Ų12842.4 Ų42.460%0.59822%0.217SC*.THydrogen-bonded Turntrans62.612.8-172.8-55.7-71.4-49.600113.8E159 N160 L161E159-Q164 PolarHBondContact OE1-OE1 2.91Å; N160-Q164 WeakPolarHBondContact O-CA 3.16Å; N160-Q164 PolarHBondContact O-N 2.73Å; L161-Q164 PolarHBondContact O-NE2 2.91Å
165E98.4Very high98.1Very high108 Ų10841.9 Ų41.951%0.50522%0.217SC..EExtended strand (participates in β ladder)trans-74.7139.3170.7-68-173.5175.700110.3W98 E159 N160 T163 R167W98-E165 HydrophobicContact CH2-CB 3.56Å; W98-E165 VanDerWaalsContact CH2-O 3.28Å; W98-E165 WeakPolarHBondContact CH2-O 3.47Å; W98-E165 HydrophobicContact CZ2-CB 3.81Å; E159-E165 WeakPolarHBondContact CA-O 3.43Å; N160-E165 PolarHBondContact N-O 3.17Å; T163-E165 PolarHBondContact O-N 3.45Å; T163-E165 PolarHBondContact OG1-N 2.96Å; E165-R167 IonicContact OE2-NH2 3.79Å
166T98.6Very high97.8Very high71 Ų7141.2 Ų41.244%0.43622%0.216SC..EExtended strand (participates in β ladder)trans-117.1149.8175.163.50000111.6E157 L158 E159E157-T166 HydrophobicContact CG-CG2 4.26Å; L158-T166 CarbonylContact O-C 3.55Å; L158-T166 WeakPolarHBondContact O-CA 3.47Å; E159-T166 HydrophobicContact CB-CG2 3.96Å; E159-T166 HydrophobicContact CG-CG2 3.86Å
167R98.6Very high97.5Very high73 Ų7341.2 Ų41.228%0.27522%0.216SC..EExtended strand (participates in β ladder)trans-138.7136.5174.1-65179.5-168.7166.19.1110W98 L158 E165W98-R167 HydrophobicContact CE3-CG 4.26Å; W98-R167 HydrophobicContact CH2-CG 3.9Å; W98-R167 HydrophobicContact CZ3-CB 4.02Å; W98-R167 HydrophobicContact CZ3-CG 3.55Å; W98-R167 PolarHBondContact O-NH1 3.1Å; L158-R167 PolarHBondContact N-O 2.96Å; L158-R167 PolarHBondContact O-N 3.43Å; E165-R167 IonicContact OE2-NH2 3.79Å
168E98.4Very high96.8Very high61 Ų6140.6 Ų40.629%0.28522%0.218SC..EExtended strand (participates in β ladder)trans-77.5133.1168.6173.9-162.9118.800110.3R103 Q155 L156R103-E168 WeakPolarHBondContact CD-O 3.47Å; R103-E168 IonicContact CZ-OE1 2.68Å; R103-E168 VanDerWaalsContact CZ-OE1 3.25Å; R103-E168 IonicContact NE-OE1 3.68Å; R103-E168 PolarHBondContact NH1-O 2.88Å; R103-E168 IonicContact NH1-OE1 3.72Å; R103-E168 IonicContact NH2-OE1 2.73Å; R103-E168 PolarHBondContact NH2-OE1 2.76Å; R103-E168 IonicContact NH2-OE2 2.84Å; Q155-E168 HydrophobicContact CG-CG 3.72Å; Q155-E168 VanDerWaalsContact NE2-CD 3.25Å; Q155-E168 PolarHBondContact NE2-OE2 2.79Å; L156-E168 CarbonylContact O-C 3.45Å; L156-E168 WeakPolarHBondContact O-CA 3.33Å
169I98.8Very high95.6Very high2 Ų241.6 Ų41.61%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-121.1129.3174.9-51.1-62.3000109.1W94 V97 T102 R103 V105 L156 L158W94-I169 HydrophobicContact CZ3-CG2 4.32Å; V97-I169 HydrophobicContact CG1-CD1 3.81Å; V97-I169 HydrophobicContact CG1-CG1 4.27Å; T102-I169 WeakPolarHBondContact O-CD1 3.33Å; R103-I169 WeakPolarHBondContact O-CA 3.08Å; V105-I169 HydrophobicContact CG2-CG2 3.97Å; L156-I169 HydrophobicContact CB-CB 4.38Å; L156-I169 PolarHBondContact N-O 2.76Å; L156-I169 PolarHBondContact O-N 3.31Å; L158-I169 HydrophobicContact CB-CG1 3.85Å; L158-I169 HydrophobicContact CD2-CD1 4.45Å; L158-I169 HydrophobicContact CD2-CG1 4.3Å
170L98.8Very high94.2Very high27 Ų2746.2 Ų46.214%0.14124%0.244CC..EExtended strand (participates in β ladder)trans-89.9126.8171.6-61.4-177.2000110.2R103 G104 V105 Q155 F172R103-L170 PolarHBondContact O-N 3.21Å; G104-L170 CarbonylContact C-O 3.58Å; G104-L170 VanDerWaalsContact CA-O 3.28Å; G104-L170 WeakPolarHBondContact CA-O 3.08Å; V105-L170 PolarHBondContact N-O 2.87Å; Q155-L170 HydrophobicContact CB-CD2 4.49Å; Q155-L170 HydrophobicContact CG-CD2 4.34Å; L170-F172 HydrophobicContact CB-CD2 4.4Å; L170-F172 HydrophobicContact CB-CE2 3.56Å; L170-F172 HydrophobicContact CB-CZ 3.86Å; L170-F172 HydrophobicContact CD1-CE2 4.44Å; L170-F172 HydrophobicContact CD1-CZ 4.04Å
171H98.8Very high93.4Very high0 Ų046.7 Ų46.70%025%0.251CS..EExtended strand (participates in β ladder)trans-110.3111.7179.1-175.7-104.9000110V105 Y122 V153 R154 L156V105-H171 WeakPolarHBondContact O-CA 3.42Å; Y122-H171 AromaticContact CZ-NE2 3.67Å; Y122-H171 PolarHBondContact OH-NE2 2.72Å; V153-H171 CarbonylContact C-O 3.6Å; V153-H171 WeakPolarHBondContact CA-O 3.27Å; R154-H171 HydrophobicContact CB-CB 4.1Å; R154-H171 PolarHBondContact N-O 2.85Å; R154-H171 PolarHBondContact NH1-CE1 3.08Å; R154-H171 VanDerWaalsContact NH1-CE1 3.28Å; R154-H171 PolarHBondContact NH1-ND1 2.77Å; R154-H171 PolarHBondContact O-N 2.8Å; L156-H171 HydrophobicContact CD1-CB 3.88Å; L156-H171 HydrophobicContact CG-CB 4.33Å
172F98.8Very high93Very high5 Ų546.4 Ų46.42%0.02225%0.251CS..EExtended strand (participates in β ladder)trans-102.2110.2179.4-58.9-89.6000109.4V105 V106 M107 V153 L170 F192 V196 S199 C201V105-F172 PolarHBondContact O-N 2.97Å; V106-F172 CarbonylContact C-O 3.59Å; V106-F172 WeakPolarHBondContact CA-O 3.19Å; V106-F172 HydrophobicContact CG2-CB 4.4Å; V106-F172 HydrophobicContact CG2-CD2 4.41Å; M107-F172 PolarHBondContact N-O 2.95Å; V153-F172 HydrophobicContact CG1-CD1 4.16Å; V153-F172 HydrophobicContact CG1-CE1 3.96Å; V153-F172 HydrophobicContact CG2-CD1 3.9Å; V153-F172 HydrophobicContact CG2-CE1 4.19Å; L170-F172 HydrophobicContact CB-CD2 4.4Å; L170-F172 HydrophobicContact CB-CE2 3.56Å; L170-F172 HydrophobicContact CB-CZ 3.86Å; L170-F172 HydrophobicContact CD1-CE2 4.44Å; L170-F172 HydrophobicContact CD1-CZ 4.04Å; F172-F192 HydrophobicContact CB-CE2 3.84Å; F172-F192 HydrophobicContact CB-CZ 3.61Å; F172-V196 HydrophobicContact CB-CG2 4.03Å; F172-V196 HydrophobicContact CD1-CG2 3.8Å; F172-V196 HydrophobicContact CD2-CG1 4.45Å; F172-V196 HydrophobicContact CD2-CG2 4.14Å; F172-V196 HydrophobicContact CE1-CG2 4.31Å; F172-V196 HydrophobicContact CE2-CG1 4.45Å; F172-V196 HydrophobicContact CG-CG2 3.73Å; F172-S199 WeakPolarHBondContact CZ-OG 3.43Å; F172-C201 HydrophobicContact CE2-CB 4.5Å
173H98.5Very high92.5Very high12 Ų1242.2 Ų42.26%0.05622%0.222CC..EExtended strand (participates in β ladder)trans-113104.7-174.5-174.3-176.2000111M107 N109 Y151 T152 R154M107-H173 HydrophobicContact CB-CB 4.49Å; M107-H173 CarbonylContact O-C 3.25Å; M107-H173 WeakPolarHBondContact O-CA 3.43Å; N109-H173 PolarHBondContact O-NE2 3.45Å; Y151-H173 CarbonylContact C-O 3.56Å; Y151-H173 WeakPolarHBondContact CA-O 3.42Å; Y151-H173 WeakPolarHBondContact CB-O 3.38Å; T152-H173 PolarHBondContact N-O 2.97Å; T152-H173 PolarHBondContact O-N 3.15Å; R154-H173 PolarHBondContact NH1-ND1 3.07Å
174Y97.3Very high91.6Very high1 Ų148 Ų480%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-80.5116171.7-160.6-68.7000109.7M107 Y150 T176 W177 S188 F192M107-Y174 PolarHBondContact O-N 2.91Å; Y150-Y174 HydrophobicContact CD2-CD2 4.29Å; Y150-Y174 HydrophobicContact CD2-CE1 4.48Å; Y150-Y174 AromaticContact CD2-CE2 3.67Å; Y150-Y174 HydrophobicContact CD2-CE2 3.67Å; Y150-Y174 AromaticContact CD2-CZ 3.78Å; Y150-Y174 HydrophobicContact CE2-CE2 4.03Å; Y174-T176 VanDerWaalsContact CE1-OG1 3.3Å; Y174-T176 WeakPolarHBondContact CE1-OG1 3.34Å; Y174-W177 HydrophobicContact CD1-CB 3.69Å; Y174-W177 HydrophobicContact CD1-CE3 4.48Å; Y174-W177 HydrophobicContact CE1-CB 3.89Å; Y174-S188 PolarHBondContact OH-OG 3.24Å; Y174-F192 HydrophobicContact CD2-CB 3.89Å; Y174-F192 AromaticContact CD2-CD1 3.69Å; Y174-F192 HydrophobicContact CD2-CD1 3.69Å; Y174-F192 HydrophobicContact CD2-CD2 4.01Å; Y174-F192 HydrophobicContact CD2-CE1 4.14Å; Y174-F192 HydrophobicContact CD2-CE2 4.43Å; Y174-F192 AromaticContact CD2-CG 3.59Å; Y174-F192 HydrophobicContact CD2-CG 3.59Å; Y174-F192 HydrophobicContact CD2-CZ 4.48Å; Y174-F192 HydrophobicContact CE2-CB 3.97Å; Y174-F192 HydrophobicContact CE2-CD1 4.46Å; Y174-F192 HydrophobicContact CE2-CG 4.2Å
175T95Very high91Very high18 Ų1843.7 Ų43.711%0.1123%0.228CC..  trans-99.7-22.2-165.457.60000114.1R110 Y150R110-T175 VanDerWaalsContact CD-O 3.27Å; R110-T175 WeakPolarHBondContact CD-O 3.49Å; R110-T175 WeakPolarHBondContact CG-O 3.21Å; Y150-T175 PolarHBondContact O-N 2.86Å; Y150-T175 PolarHBondContact O-OG1 3.5Å; Y150-T175 VanDerWaalsContact O-OG1 3.09Å
176T92.8Very high90.6Very high42 Ų4240.1 Ų40.126%0.25821%0.214SC..SBendtrans-102.35.9-173.660.30000114.5Y150 Y174 P178 P300 F302Y150-T176 VanDerWaalsContact CB-OG1 3.26Å; Y150-T176 WeakPolarHBondContact CB-OG1 3.37Å; Y174-T176 VanDerWaalsContact CE1-OG1 3.3Å; Y174-T176 WeakPolarHBondContact CE1-OG1 3.34Å; T176-P178 WeakPolarHBondContact O-CD 3.39Å; T176-P300 HydrophobicContact CG2-CG 3.83Å; T176-F302 HydrophobicContact CG2-CZ 4.07Å
177W91.8Very high90.3Very high1 Ų137.2 Ų37.20%0.00420%0.197CC..  trans-76.9112.9178.8-162.4-29.8000110.9L108 Y174 G181 P183 F189 R219 T222L108-W177 HydrophobicContact CD1-CZ3 4.39Å; L108-W177 HydrophobicContact CD2-CE3 4.34Å; L108-W177 HydrophobicContact CD2-CZ3 4.32Å; Y174-W177 HydrophobicContact CD1-CB 3.69Å; Y174-W177 HydrophobicContact CD1-CE3 4.48Å; Y174-W177 HydrophobicContact CE1-CB 3.89Å; W177-G181 PolarHBondContact NE1-O 2.72Å; W177-G181 VanDerWaalsContact NE1-O 3.13Å; W177-P183 HydrophobicContact CD2-CG 3.73Å; W177-P183 VanDerWaalsContact CE2-CD 3.46Å; W177-P183 HydrophobicContact CE3-CG 3.93Å; W177-P183 HydrophobicContact CG-CG 4.26Å; W177-P183 HydrophobicContact CH2-CG 4.15Å; W177-P183 HydrophobicContact CZ2-CG 3.97Å; W177-P183 HydrophobicContact CZ3-CG 4.14Å; W177-F189 HydrophobicContact CE3-CD2 4.49Å; W177-F189 AromaticContact CH2-CD2 3.85Å; W177-F189 HydrophobicContact CH2-CD2 3.85Å; W177-F189 AromaticContact CH2-CE2 3.68Å; W177-F189 HydrophobicContact CH2-CE2 3.68Å; W177-F189 AromaticContact CZ3-CD2 3.6Å; W177-F189 HydrophobicContact CZ3-CD2 3.6Å; W177-F189 AromaticContact CZ3-CE2 3.6Å; W177-F189 HydrophobicContact CZ3-CE2 3.6Å; W177-R219 HydrophobicContact CD2-CB 4.23Å; W177-R219 HydrophobicContact CD2-CG 3.91Å; W177-R219 HydrophobicContact CE3-CB 4.42Å; W177-R219 HydrophobicContact CG-CG 4.13Å; W177-R219 HydrophobicContact CH2-CB 4.31Å; W177-R219 HydrophobicContact CZ2-CB 4.1Å; W177-R219 HydrophobicContact CZ2-CG 4.03Å; W177-R219 HydrophobicContact CZ3-CB 4.46Å; W177-R219 PolarHBondContact O-NH1 3.39Å; W177-R219 VanDerWaalsContact O-NH1 3.15Å; W177-T222 HydrophobicContact CH2-CG2 3.67Å; W177-T222 HydrophobicContact CZ2-CG2 3.93Å
178P83.3Confident89.9Confident52 Ų5234.2 Ų34.234%0.33819%0.187SC..  trans-70.1143.8-18028.7-35.3000113T176 F180 G181T176-P178 WeakPolarHBondContact O-CD 3.39Å; P178-F180 PolarHBondContact O-N 3.48Å; P178-G181 PolarHBondContact O-N 2.91Å; P178-G181 VanDerWaalsContact O-N 3.1Å
179D73.3Confident89.8Confident22 Ų2231.3 Ų31.312%0.11817%0.174CC..THydrogen-bonded Turntrans-63.9131.2175.4-156.323.7000111.4E113 K118 G181 R219E113-D179 WeakPolarHBondContact OE2-CB 3.35Å; K118-D179 WeakPolarHBondContact CE-OD2 3.38Å; K118-D179 IonicContact NZ-OD2 3.69Å; K118-D179 PolarHBondContact NZ-OD2 2.86Å; D179-G181 PolarHBondContact O-N 2.84Å; D179-G181 VanDerWaalsContact O-N 3.12Å; D179-R219 IonicContact OD1-CZ 3.77Å; D179-R219 IonicContact OD1-NE 3.79Å; D179-R219 IonicContact OD1-NH2 2.7Å; D179-R219 PolarHBondContact OD1-NH2 2.83Å
180F70.1Confident89.7Confident116 Ų11631.2 Ų31.251%0.50917%0.173SC..THydrogen-bonded Turntrans60.11.1-170.3-59.1-82.9000116.4P178 T261P178-F180 PolarHBondContact O-N 3.48Å; F180-T261 HydrophobicContact CB-CG2 4.44Å; F180-T261 HydrophobicContact CD1-CG2 4.29Å
181G82.3Confident89.5Confident21 Ų2130.1 Ų30.122%0.21617%0.167CC..SBendtrans-97.9-162.517300000112.4W177 P178 D179W177-G181 PolarHBondContact NE1-O 2.72Å; W177-G181 VanDerWaalsContact NE1-O 3.13Å; P178-G181 PolarHBondContact O-N 2.91Å; P178-G181 VanDerWaalsContact O-N 3.1Å; D179-G181 PolarHBondContact O-N 2.84Å; D179-G181 VanDerWaalsContact O-N 3.12Å
182V88.6Confident89.4Confident46 Ų4630.1 Ų30.128%0.27917%0.167SC..  trans-129.2158.3178.9-63.40000109.3D263 Q264 F267V182-D263 HydrophobicContact CG1-CB 4.18Å; V182-D263 WeakPolarHBondContact CG1-O 3.47Å; V182-Q264 HydrophobicContact CG1-CG 4.1Å; V182-F267 HydrophobicContact CB-CB 3.99Å; V182-F267 HydrophobicContact CB-CD2 3.89Å; V182-F267 HydrophobicContact CB-CG 3.92Å; V182-F267 HydrophobicContact CG1-CB 3.63Å; V182-F267 HydrophobicContact CG1-CD2 4.49Å; V182-F267 HydrophobicContact CG1-CG 4.08Å; V182-F267 HydrophobicContact CG2-CD2 4.31Å
183P86.6Confident89.3Confident4 Ų429.9 Ų29.93%0.02617%0.166CC..  trans-56.5149.4169.1-23.136.2000110.8W177 S185 F189 F267W177-P183 HydrophobicContact CD2-CG 3.73Å; W177-P183 VanDerWaalsContact CE2-CD 3.46Å; W177-P183 HydrophobicContact CE3-CG 3.93Å; W177-P183 HydrophobicContact CG-CG 4.26Å; W177-P183 HydrophobicContact CH2-CG 4.15Å; W177-P183 HydrophobicContact CZ2-CG 3.97Å; W177-P183 HydrophobicContact CZ3-CG 4.14Å; P183-S185 PolarHBondContact O-N 2.85Å; P183-F189 HydrophobicContact CB-CB 4.29Å; P183-F189 HydrophobicContact CG-CB 4.14Å; P183-F189 HydrophobicContact CG-CD2 4.22Å; P183-F267 HydrophobicContact CB-CE2 3.97Å; P183-F267 HydrophobicContact CB-CZ 3.71Å; P183-F267 VanDerWaalsContact CD-CZ 3.48Å; P183-F267 HydrophobicContact CG-CE1 3.8Å; P183-F267 HydrophobicContact CG-CE2 4.08Å; P183-F267 HydrophobicContact CG-CZ 3.49Å; P183-F267 VanDerWaalsContact CG-CZ 3.49Å
184E78.3Confident89.1Confident198 Ų19829.8 Ų29.893%0.92517%0.166SC*.SBendtrans-60.5-33.1-177.6-65.6-177.3172.300112.8
185S84.3Confident89.1Confident38 Ų3832.9 Ų32.927%0.26618%0.179SC..  trans-143.1151.417572.70000112P183 A187 S188P183-S185 PolarHBondContact O-N 2.85Å; S185-A187 PolarHBondContact O-N 2.9Å; S185-S188 PolarHBondContact O-OG 3.1Å; S185-S188 PolarHBondContact OG-N 3.12Å
186P90.8Very high89.2Confident33 Ų3332 Ų3221%0.21417%0.174CC..Hα-helixtrans-58.8-28.1168.5-26.336000113.3F189 L190 F267 L270 A271 E274P186-F189 PolarHBondContact O-N 2.87Å; P186-L190 HydrophobicContact CB-CD1 4.49Å; P186-L190 VanDerWaalsContact O-CB 3.3Å; P186-L190 WeakPolarHBondContact O-CB 3.36Å; P186-L190 VanDerWaalsContact O-CG 3.22Å; P186-L190 WeakPolarHBondContact O-CG 3.45Å; P186-L190 PolarHBondContact O-N 3.42Å; P186-F267 HydrophobicContact CG-CE2 4.23Å; P186-L270 HydrophobicContact CG-CB 4Å; P186-A271 HydrophobicContact CB-CB 4.49Å; P186-E274 HydrophobicContact CB-CB 4.34Å; P186-E274 HydrophobicContact CB-CG 4.46Å
187A90.4Very high89.4Confident9 Ų932.2 Ų32.27%0.07417%0.17CC..Hα-helixtrans-63.5-47.5-177.200000112.6S185 L190 N191 W289 L292S185-A187 PolarHBondContact O-N 2.9Å; A187-L190 PolarHBondContact O-N 3.49Å; A187-N191 WeakPolarHBondContact O-CB 3.29Å; A187-N191 PolarHBondContact O-N 3.15Å; A187-W289 HydrophobicContact CB-CB 4.25Å; A187-W289 HydrophobicContact CB-CG 4.23Å; A187-L292 HydrophobicContact CB-CB 4.08Å
188S91.8Very high89.6Confident11 Ų1137.3 Ų37.38%0.07719%0.194CC..Hα-helixtrans-66.6-39.4178.462.60000112Y150 Y174 S185 F192Y150-S188 VanDerWaalsContact CE2-O 3.27Å; Y150-S188 WeakPolarHBondContact CE2-O 3.33Å; Y174-S188 PolarHBondContact OH-OG 3.24Å; S185-S188 PolarHBondContact O-OG 3.1Å; S185-S188 PolarHBondContact OG-N 3.12Å; S188-F192 WeakPolarHBondContact O-CB 3.33Å; S188-F192 PolarHBondContact O-N 2.76Å; S188-F192 VanDerWaalsContact O-N 3.09Å
189F95.8Very high90.2Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-62.6-47.6174.3172.3-88000112.1W177 P183 P186 F192 L193 F223 V226 F267 A271W177-F189 HydrophobicContact CE3-CD2 4.49Å; W177-F189 AromaticContact CH2-CD2 3.85Å; W177-F189 HydrophobicContact CH2-CD2 3.85Å; W177-F189 AromaticContact CH2-CE2 3.68Å; W177-F189 HydrophobicContact CH2-CE2 3.68Å; W177-F189 AromaticContact CZ3-CD2 3.6Å; W177-F189 HydrophobicContact CZ3-CD2 3.6Å; W177-F189 AromaticContact CZ3-CE2 3.6Å; W177-F189 HydrophobicContact CZ3-CE2 3.6Å; P183-F189 HydrophobicContact CB-CB 4.29Å; P183-F189 HydrophobicContact CG-CB 4.14Å; P183-F189 HydrophobicContact CG-CD2 4.22Å; P186-F189 PolarHBondContact O-N 2.87Å; F189-F192 PolarHBondContact O-N 3.02Å; F189-L193 HydrophobicContact CE1-CD2 4.26Å; F189-L193 WeakPolarHBondContact O-CB 3.01Å; F189-L193 PolarHBondContact O-N 3.29Å; F189-F223 HydrophobicContact CE2-CB 4.44Å; F189-F223 HydrophobicContact CE2-CD2 4.14Å; F189-F223 HydrophobicContact CZ-CD2 4.29Å; F189-V226 HydrophobicContact CE1-CB 3.85Å; F189-V226 HydrophobicContact CE1-CG1 3.7Å; F189-V226 HydrophobicContact CE1-CG2 4.02Å; F189-V226 HydrophobicContact CZ-CB 4.02Å; F189-V226 HydrophobicContact CZ-CG1 4.36Å; F189-V226 HydrophobicContact CZ-CG2 4.13Å; F189-F267 HydrophobicContact CB-CE1 4.11Å; F189-F267 HydrophobicContact CB-CZ 3.69Å; F189-F267 HydrophobicContact CD1-CE1 4.16Å; F189-F267 HydrophobicContact CD1-CZ 4.41Å; F189-F267 HydrophobicContact CD2-CE1 4.03Å; F189-F267 HydrophobicContact CD2-CZ 4.44Å; F189-F267 AromaticContact CG-CE1 3.81Å; F189-F267 HydrophobicContact CG-CE1 3.81Å; F189-F267 AromaticContact CG-CZ 3.92Å; F189-F267 HydrophobicContact CG-CZ 3.92Å; F189-A271 HydrophobicContact CD1-CB 4.01Å; F189-A271 HydrophobicContact CE1-CB 4.16Å
190L95.9Very high91.4Very high0 Ų036.2 Ų36.20%019%0.191CC..Hα-helixtrans-65.9-45.2-180-73.2170.2000110.7P186 A187 F192 L193 F194 V226 L230 E274 W289P186-L190 HydrophobicContact CB-CD1 4.49Å; P186-L190 VanDerWaalsContact O-CB 3.3Å; P186-L190 WeakPolarHBondContact O-CB 3.36Å; P186-L190 VanDerWaalsContact O-CG 3.22Å; P186-L190 WeakPolarHBondContact O-CG 3.45Å; P186-L190 PolarHBondContact O-N 3.42Å; A187-L190 PolarHBondContact O-N 3.49Å; L190-F192 VanDerWaalsContact C-N 3.3Å; L190-F192 PolarHBondContact O-N 2.83Å; L190-L193 HydrophobicContact CD2-CD2 4.43Å; L190-L193 PolarHBondContact O-N 3.28Å; L190-L193 VanDerWaalsContact O-N 3.11Å; L190-F194 VanDerWaalsContact O-CD2 3.25Å; L190-F194 WeakPolarHBondContact O-CD2 3.29Å; L190-F194 PolarHBondContact O-N 2.9Å; L190-V226 HydrophobicContact CD2-CG1 4.35Å; L190-L230 HydrophobicContact CD2-CD1 4Å; L190-E274 HydrophobicContact CD1-CB 3.83Å; L190-E274 HydrophobicContact CD1-CG 3.68Å; L190-W289 HydrophobicContact CB-CD2 4.17Å; L190-W289 HydrophobicContact CB-CE3 3.99Å; L190-W289 HydrophobicContact CB-CH2 4.46Å; L190-W289 HydrophobicContact CB-CZ3 4.15Å; L190-W289 HydrophobicContact CD1-CD2 4.43Å; L190-W289 HydrophobicContact CD1-CH2 4Å; L190-W289 HydrophobicContact CD1-CZ2 3.7Å
191N94.6Very high92.6Very high4 Ų430.7 Ų30.72%0.02117%0.167CC..Hα-helixtrans-55.4-46.6175.9-17469.6000111.2Y150 A187 F194 K195 W289 E295Y150-N191 WeakPolarHBondContact OH-CB 3.17Å; Y150-N191 PolarHBondContact OH-ND2 3.3Å; A187-N191 WeakPolarHBondContact O-CB 3.29Å; A187-N191 PolarHBondContact O-N 3.15Å; N191-F194 PolarHBondContact O-N 3.16Å; N191-K195 WeakPolarHBondContact O-CG 3.48Å; N191-K195 PolarHBondContact O-N 3.47Å; N191-W289 HydrophobicContact CB-CB 4.3Å; N191-E295 PolarHBondContact ND2-OE2 3.45Å
192F96.8Very high93.3Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-60.9-46174178.2-101.2000113.3V106 L108 Y150 Y151 F172 Y174 S188 F189 L190 F194 K195 V196 F223V106-F192 HydrophobicContact CG1-CE1 3.88Å; V106-F192 HydrophobicContact CG1-CZ 4.13Å; L108-F192 HydrophobicContact CD2-CE1 3.97Å; Y150-F192 HydrophobicContact CE2-CB 4.2Å; Y151-F192 HydrophobicContact CD1-CD2 4.35Å; Y151-F192 AromaticContact CD2-CD2 3.88Å; Y151-F192 HydrophobicContact CD2-CD2 3.88Å; Y151-F192 HydrophobicContact CD2-CE2 4.15Å; Y151-F192 AromaticContact CG-CD2 3.7Å; Y151-F192 HydrophobicContact CG-CD2 3.7Å; Y151-F192 HydrophobicContact CG-CE2 4.17Å; F172-F192 HydrophobicContact CB-CE2 3.84Å; F172-F192 HydrophobicContact CB-CZ 3.61Å; Y174-F192 HydrophobicContact CD2-CB 3.89Å; Y174-F192 AromaticContact CD2-CD1 3.69Å; Y174-F192 HydrophobicContact CD2-CD1 3.69Å; Y174-F192 HydrophobicContact CD2-CD2 4.01Å; Y174-F192 HydrophobicContact CD2-CE1 4.14Å; Y174-F192 HydrophobicContact CD2-CE2 4.43Å; Y174-F192 AromaticContact CD2-CG 3.59Å; Y174-F192 HydrophobicContact CD2-CG 3.59Å; Y174-F192 HydrophobicContact CD2-CZ 4.48Å; Y174-F192 HydrophobicContact CE2-CB 3.97Å; Y174-F192 HydrophobicContact CE2-CD1 4.46Å; Y174-F192 HydrophobicContact CE2-CG 4.2Å; S188-F192 WeakPolarHBondContact O-CB 3.33Å; S188-F192 PolarHBondContact O-N 2.76Å; S188-F192 VanDerWaalsContact O-N 3.09Å; F189-F192 PolarHBondContact O-N 3.02Å; L190-F192 VanDerWaalsContact C-N 3.3Å; L190-F192 PolarHBondContact O-N 2.83Å; F192-F194 VanDerWaalsContact C-N 3.3Å; F192-F194 PolarHBondContact O-N 3.17Å; F192-K195 WeakPolarHBondContact O-CB 3.39Å; F192-K195 PolarHBondContact O-N 3.33Å; F192-V196 HydrophobicContact CD1-CG2 4.46Å; F192-V196 HydrophobicContact CE1-CG2 4.12Å; F192-V196 HydrophobicContact CZ-CG2 4.25Å; F192-V196 WeakPolarHBondContact O-CG2 3.38Å; F192-V196 PolarHBondContact O-N 3.28Å; F192-F223 HydrophobicContact CD1-CE2 4.14Å; F192-F223 HydrophobicContact CE1-CE2 4.02Å
193L97.3Very high93.5Very high0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-57.9-43.5176.6172.661.9000111.5F189 L190 V196 R197 F223 V226 D227 L230F189-L193 HydrophobicContact CE1-CD2 4.26Å; F189-L193 WeakPolarHBondContact O-CB 3.01Å; F189-L193 PolarHBondContact O-N 3.29Å; L190-L193 HydrophobicContact CD2-CD2 4.43Å; L190-L193 PolarHBondContact O-N 3.28Å; L190-L193 VanDerWaalsContact O-N 3.11Å; L193-V196 PolarHBondContact O-N 3.01Å; L193-R197 PolarHBondContact O-N 3.45Å; L193-F223 HydrophobicContact CB-CE2 4.29Å; L193-F223 HydrophobicContact CD1-CD2 4.36Å; L193-F223 HydrophobicContact CD1-CE1 4.18Å; L193-F223 HydrophobicContact CD1-CE2 3.61Å; L193-F223 HydrophobicContact CD1-CZ 3.5Å; L193-F223 VanDerWaalsContact CD1-CZ 3.5Å; L193-V226 HydrophobicContact CD2-CG1 4.17Å; L193-D227 HydrophobicContact CD1-CB 3.88Å; L193-D227 HydrophobicContact CD2-CB 4.37Å; L193-L230 HydrophobicContact CD2-CD1 4.07Å
194F95.1Very high93.8Very high10 Ų1035.3 Ų35.34%0.04420%0.198CC..Hα-helixtrans-67-36.8177.6-84.7-84.5000111.9L190 N191 F192 V196 R197 E198 Y278 W289L190-F194 VanDerWaalsContact O-CD2 3.25Å; L190-F194 WeakPolarHBondContact O-CD2 3.29Å; L190-F194 PolarHBondContact O-N 2.9Å; N191-F194 PolarHBondContact O-N 3.16Å; F192-F194 VanDerWaalsContact C-N 3.3Å; F192-F194 PolarHBondContact O-N 3.17Å; F194-V196 VanDerWaalsContact C-N 3.31Å; F194-V196 PolarHBondContact O-N 2.78Å; F194-R197 WeakPolarHBondContact O-CB 3.48Å; F194-R197 PolarHBondContact O-N 3.31Å; F194-R197 VanDerWaalsContact O-N 3.12Å; F194-E198 WeakPolarHBondContact O-CB 3.14Å; F194-E198 VanDerWaalsContact O-CG 3.27Å; F194-E198 WeakPolarHBondContact O-CG 3.31Å; F194-E198 PolarHBondContact O-N 2.98Å; F194-Y278 HydrophobicContact CD1-CE1 4.22Å; F194-Y278 AromaticContact CE1-CD1 3.66Å; F194-Y278 HydrophobicContact CE1-CD1 3.66Å; F194-Y278 AromaticContact CE1-CE1 3.31Å; F194-Y278 HydrophobicContact CE1-CE1 3.31Å; F194-Y278 AromaticContact CE1-CZ 3.98Å; F194-Y278 HydrophobicContact CE2-CD1 4.43Å; F194-Y278 AromaticContact CZ-CD1 3.45Å; F194-Y278 HydrophobicContact CZ-CD1 3.45Å; F194-Y278 VanDerWaalsContact CZ-CD1 3.45Å; F194-Y278 AromaticContact CZ-CE1 3.67Å; F194-Y278 HydrophobicContact CZ-CE1 3.67Å; F194-Y278 HydrophobicContact CZ-CG 4.21Å; F194-W289 HydrophobicContact CD2-CE3 4.37Å; F194-W289 AromaticContact CD2-CZ3 3.77Å; F194-W289 HydrophobicContact CD2-CZ3 3.77Å; F194-W289 HydrophobicContact CE2-CH2 4.1Å; F194-W289 AromaticContact CE2-CZ3 3.53Å; F194-W289 HydrophobicContact CE2-CZ3 3.53Å; F194-W289 HydrophobicContact CZ-CZ3 4.28Å
195K96.1Very high94.5Very high66 Ų6632.3 Ų32.329%0.28718%0.184SC..Hα-helixtrans-57.3-42.4169.7-69.7-65.3-178.8-1710112.6Y151 N191 F192 S199Y151-K195 HydrophobicContact CE2-CG 4.49Å; N191-K195 WeakPolarHBondContact O-CG 3.48Å; N191-K195 PolarHBondContact O-N 3.47Å; F192-K195 WeakPolarHBondContact O-CB 3.39Å; F192-K195 PolarHBondContact O-N 3.33Å; K195-S199 PolarHBondContact O-N 2.86Å
196V98.2Very high95.1Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-64.6-42.1175-178.70000110.9V106 F172 F192 L193 F194 S199 L202 F223V106-V196 HydrophobicContact CG2-CG1 3.96Å; V106-V196 HydrophobicContact CG2-CG2 4.17Å; F172-V196 HydrophobicContact CB-CG2 4.03Å; F172-V196 HydrophobicContact CD1-CG2 3.8Å; F172-V196 HydrophobicContact CD2-CG1 4.45Å; F172-V196 HydrophobicContact CD2-CG2 4.14Å; F172-V196 HydrophobicContact CE1-CG2 4.31Å; F172-V196 HydrophobicContact CE2-CG1 4.45Å; F172-V196 HydrophobicContact CG-CG2 3.73Å; F192-V196 HydrophobicContact CD1-CG2 4.46Å; F192-V196 HydrophobicContact CE1-CG2 4.12Å; F192-V196 HydrophobicContact CZ-CG2 4.25Å; F192-V196 WeakPolarHBondContact O-CG2 3.38Å; F192-V196 PolarHBondContact O-N 3.28Å; L193-V196 PolarHBondContact O-N 3.01Å; F194-V196 VanDerWaalsContact C-N 3.31Å; F194-V196 PolarHBondContact O-N 2.78Å; V196-S199 PolarHBondContact O-N 3.41Å; V196-S199 PolarHBondContact O-OG 3.12Å; V196-L202 HydrophobicContact CG1-CD1 4.02Å; V196-L202 HydrophobicContact CG1-CG 4.08Å; V196-F223 HydrophobicContact CB-CZ 4.31Å; V196-F223 HydrophobicContact CG1-CZ 4.25Å; V196-F223 HydrophobicContact CG2-CE2 4.49Å; V196-F223 HydrophobicContact CG2-CZ 4.23Å
197R96.3Very high95.4Very high45 Ų4533.2 Ų33.217%0.1719%0.185CC..Hα-helixtrans-62.3-47.7176.6-74.4176.7168.2-161.3-5.6112.7L193 F194 S199 G200 L202 D227L193-R197 PolarHBondContact O-N 3.45Å; F194-R197 WeakPolarHBondContact O-CB 3.48Å; F194-R197 PolarHBondContact O-N 3.31Å; F194-R197 VanDerWaalsContact O-N 3.12Å; R197-S199 PolarHBondContact O-N 2.64Å; R197-G200 PolarHBondContact O-N 3.45Å; R197-G200 VanDerWaalsContact O-N 3.12Å; R197-L202 HydrophobicContact CB-CD1 4.38Å; R197-L202 HydrophobicContact CG-CD1 3.56Å; R197-D227 IonicContact CZ-OD1 3.96Å; R197-D227 IonicContact NE-OD1 3.55Å; R197-D227 PolarHBondContact NE-OD1 2.83Å; R197-D227 PolarHBondContact NH2-O 2.87Å; R197-D227 IonicContact NH2-OD1 2.87Å; R197-D227 PolarHBondContact NH2-OD1 2.81Å
198E95.7Very high95.8Very high108 Ų10833.7 Ų33.751%0.50519%0.188SC..Hα-helixtrans-63.4-26.9-178.5-72.8177.9155.700113.2F194 G200 Q286F194-E198 WeakPolarHBondContact O-CB 3.14Å; F194-E198 VanDerWaalsContact O-CG 3.27Å; F194-E198 WeakPolarHBondContact O-CG 3.31Å; F194-E198 PolarHBondContact O-N 2.98Å; E198-G200 PolarHBondContact O-N 3.29Å; E198-Q286 PolarHBondContact OE1-NE2 3.33Å
199S97Very high96.1Very high40 Ų4033.2 Ų33.228%0.2818%0.184SC..THydrogen-bonded Turntrans-67.6-13.3175.877.80000114.6F172 K195 V196 R197 C201F172-S199 WeakPolarHBondContact CZ-OG 3.43Å; K195-S199 PolarHBondContact O-N 2.86Å; V196-S199 PolarHBondContact O-N 3.41Å; V196-S199 PolarHBondContact O-OG 3.12Å; R197-S199 PolarHBondContact O-N 2.64Å; S199-C201 PolarHBondContact O-N 2.72Å; S199-C201 WeakPolarHBondContact OG-CB 3.34Å; S199-C201 PolarHBondContact OG-N 2.98Å; S199-C201 PolarHBondContact OG-SG 3.35Å; S199-C201 VanDerWaalsContact OG-SG 3.34Å
200G96.9Very high96.3Very high12 Ų1233.2 Ų33.212%0.12418%0.184CC..THydrogen-bonded Turntrans77.1-5.1-17500000114.8R197 E198 L202 N203R197-G200 PolarHBondContact O-N 3.45Å; R197-G200 VanDerWaalsContact O-N 3.12Å; E198-G200 PolarHBondContact O-N 3.29Å; G200-L202 PolarHBondContact O-N 2.95Å; G200-N203 VanDerWaalsContact O-CB 3.23Å; G200-N203 WeakPolarHBondContact O-CB 3.2Å; G200-N203 VanDerWaalsContact O-CG 3.28Å; G200-N203 PolarHBondContact O-N 3.44Å
201C96.3Very high96.4Very high0 Ų033.2 Ų33.20%018%0.184CC..THydrogen-bonded Turntrans-60.1-20.5-179.2-740000115.1F172 S199F172-C201 HydrophobicContact CE2-CB 4.5Å; S199-C201 PolarHBondContact O-N 2.72Å; S199-C201 WeakPolarHBondContact OG-CB 3.34Å; S199-C201 PolarHBondContact OG-N 2.98Å; S199-C201 PolarHBondContact OG-SG 3.35Å; S199-C201 VanDerWaalsContact OG-SG 3.34Å
202L96.2Very high96.6Very high11 Ų1133 Ų336%0.05818%0.183CC..THydrogen-bonded Turntrans-86.5-15.6177.2-67.8171.9000112.3R77 Y79 V196 R197 G200 V209R77-L202 PolarHBondContact NH1-O 2.95Å; Y79-L202 HydrophobicContact CE1-CD2 4.27Å; V196-L202 HydrophobicContact CG1-CD1 4.02Å; V196-L202 HydrophobicContact CG1-CG 4.08Å; R197-L202 HydrophobicContact CB-CD1 4.38Å; R197-L202 HydrophobicContact CG-CD1 3.56Å; G200-L202 PolarHBondContact O-N 2.95Å; L202-V209 HydrophobicContact CD2-CB 3.86Å; L202-V209 HydrophobicContact CD2-CG1 3.4Å; L202-V209 HydrophobicContact CD2-CG2 4.32Å
203N93.9Very high96.7Very high60 Ų6033.3 Ų33.332%0.32119%0.185SC..SBendtrans-64.8157.5-171.9-64.5-9.9000113.2G200 E205 H206G200-N203 VanDerWaalsContact O-CB 3.23Å; G200-N203 WeakPolarHBondContact O-CB 3.2Å; G200-N203 VanDerWaalsContact O-CG 3.28Å; G200-N203 PolarHBondContact O-N 3.44Å; N203-E205 VanDerWaalsContact C-N 3.26Å; N203-E205 HydrophobicContact CB-CG 4.21Å; N203-E205 VanDerWaalsContact CB-OE1 3.27Å; N203-E205 WeakPolarHBondContact CB-OE1 3.44Å; N203-E205 VanDerWaalsContact CB-OE2 3.29Å; N203-E205 WeakPolarHBondContact CB-OE2 3.28Å; N203-E205 PolarHBondContact ND2-OE1 3.45Å; N203-E205 PolarHBondContact O-N 2.93Å; N203-H206 PolarHBondContact O-N 3.12Å
204A91.8Very high96.7Very high97 Ų9733.4 Ų33.480%0.80219%0.186SC*.THydrogen-bonded Turntrans-71.4-15.8-17600000114.1H206A204-H206 PolarHBondContact O-N 2.94Å
205E93.9Very high96.9Very high135 Ų13533.8 Ų33.863%0.63119%0.191SC*.THydrogen-bonded Turntrans-66.9-17.4173.460.3-103-163.200113.9N203N203-E205 VanDerWaalsContact C-N 3.26Å; N203-E205 HydrophobicContact CB-CG 4.21Å; N203-E205 VanDerWaalsContact CB-OE1 3.27Å; N203-E205 WeakPolarHBondContact CB-OE1 3.44Å; N203-E205 VanDerWaalsContact CB-OE2 3.29Å; N203-E205 WeakPolarHBondContact CB-OE2 3.28Å; N203-E205 PolarHBondContact ND2-OE1 3.45Å; N203-E205 PolarHBondContact O-N 2.93Å
206H96.1Very high97Very high75 Ų7530.7 Ų30.735%0.34718%0.177SC..SBendtrans-109.7165.6-179.3-60.4-47000111.7R103 N203 A204R103-H206 HydrophobicContact CB-CB 3.97Å; N203-H206 PolarHBondContact O-N 3.12Å; A204-H206 PolarHBondContact O-N 2.94Å
207G98Very high97Very high14 Ų1430.9 Ų30.914%0.14418%0.178CC..BIsolated β-bridgetrans-62.9166.516600000112.7Q100 R101 V209Q100-G207 WeakPolarHBondContact O-CA 3.46Å; R101-G207 WeakPolarHBondContact O-CA 3.46Å; R101-G207 PolarHBondContact O-N 3.42Å; G207-V209 PolarHBondContact O-N 3.09Å
208P98.5Very high97.1Very high20 Ų2029 Ų2913%0.1317%0.173CC..PPolyproline II helixtrans-55.1138.2177.8-21.632.2000111.8L69 K78 I80 T102L69-P208 HydrophobicContact CD1-CB 4.19Å; L69-P208 HydrophobicContact CD1-CG 3.74Å; K78-P208 HydrophobicContact CB-CB 3.98Å; K78-P208 HydrophobicContact CB-CG 3.87Å; I80-P208 HydrophobicContact CD1-CB 4Å; I80-P208 HydrophobicContact CD1-CG 4.25Å; I80-P208 HydrophobicContact CG1-CB 3.89Å; I80-P208 HydrophobicContact CG1-CG 4.37Å; T102-P208 PolarHBondContact OG1-O 3.19Å
209V98.6Very high97.2Very high1 Ų124.1 Ų24.11%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-61.5139.3170.269.80000109.3Y79 I80 G104 V106 L202 G207 V211Y79-V209 HydrophobicContact CD1-CG1 3.62Å; Y79-V209 HydrophobicContact CE1-CG1 4.4Å; I80-V209 PolarHBondContact N-O 3.19Å; G104-V209 WeakPolarHBondContact O-CG2 3.35Å; V106-V209 HydrophobicContact CG2-CG2 3.91Å; L202-V209 HydrophobicContact CD2-CB 3.86Å; L202-V209 HydrophobicContact CD2-CG1 3.4Å; L202-V209 HydrophobicContact CD2-CG2 4.32Å; G207-V209 PolarHBondContact O-N 3.09Å; V209-V211 HydrophobicContact CG1-CG2 3.85Å
210V98.9Very high97.3Very high0 Ų022.2 Ų22.20%014%0.137CC..EExtended strand (participates in β ladder)trans-90.5123.2172.5171.20000108.4I80 T82 F93 M96 V97 T102 G104 V105 V106I80-V210 HydrophobicContact CB-CG2 3.99Å; I80-V210 HydrophobicContact CD1-CG2 4.26Å; I80-V210 HydrophobicContact CG2-CG2 4.12Å; I80-V210 CarbonylContact O-C 3.58Å; I80-V210 WeakPolarHBondContact O-CA 3.34Å; T82-V210 HydrophobicContact CG2-CG1 3.78Å; F93-V210 HydrophobicContact CE2-CG1 3.73Å; F93-V210 HydrophobicContact CZ-CG1 3.88Å; M96-V210 HydrophobicContact CE-CG1 4.01Å; M96-V210 HydrophobicContact CE-CG2 3.88Å; V97-V210 HydrophobicContact CG2-CG2 4.19Å; T102-V210 HydrophobicContact CG2-CB 4.24Å; T102-V210 HydrophobicContact CG2-CG2 3.84Å; G104-V210 PolarHBondContact O-N 2.9Å; V105-V210 CarbonylContact C-O 3.58Å; V105-V210 WeakPolarHBondContact CA-O 3.33Å; V105-V210 HydrophobicContact CG2-CB 4.33Å; V106-V210 PolarHBondContact N-O 3.49Å
211V98.9Very high97.4Very high0 Ų021.7 Ų21.70%013%0.131CC..EExtended strand (participates in β ladder)trans-119.3127.4178.5-171.40000108.8I80 L81 T82 V106 L108 V209 F223I80-V211 PolarHBondContact O-N 3.24Å; L81-V211 WeakPolarHBondContact CA-O 3.48Å; L81-V211 HydrophobicContact CD1-CB 4.35Å; L81-V211 HydrophobicContact CG-CB 4.45Å; T82-V211 PolarHBondContact N-O 3.43Å; V106-V211 HydrophobicContact CB-CB 4.46Å; V106-V211 HydrophobicContact CB-CG1 4.18Å; V106-V211 HydrophobicContact CB-CG2 4.2Å; V106-V211 HydrophobicContact CG1-CG1 4.25Å; V106-V211 WeakPolarHBondContact O-CA 3.46Å; L108-V211 HydrophobicContact CD1-CG1 3.97Å; V209-V211 HydrophobicContact CG1-CG2 3.85Å; V211-F223 HydrophobicContact CG1-CB 4.49Å; V211-F223 HydrophobicContact CG1-CD1 4.05Å; V211-F223 HydrophobicContact CG1-CG 4.46Å; V211-F223 HydrophobicContact CG2-CD1 4.19Å; V211-F223 HydrophobicContact CG2-CE1 4.3Å
212H98.9Very high97.5Very high0 Ų021.7 Ų21.70%013%0.131CC..EExtended strand (participates in β ladder)trans-141.2159.9177.383.689.4000112.6T82 V106 M107 L108 Y122 S220T82-H212 HydrophobicContact CG2-CB 3.76Å; T82-H212 WeakPolarHBondContact O-CB 3.32Å; V106-H212 PolarHBondContact O-N 3.07Å; M107-H212 WeakPolarHBondContact CB-NE2 3.34Å; M107-H212 VanDerWaalsContact CG-CE1 3.43Å; M107-H212 WeakPolarHBondContact CG-CE1 3.4Å; M107-H212 WeakPolarHBondContact CG-NE2 3.49Å; L108-H212 PolarHBondContact N-O 2.95Å; Y122-H212 AromaticContact CE1-CE1 3.74Å; Y122-H212 AromaticContact CE1-NE2 3.49Å; Y122-H212 WeakPolarHBondContact CE1-NE2 3.47Å; Y122-H212 AromaticContact CZ-NE2 3.43Å; Y122-H212 PolarHBondContact OH-NE2 3.13Å; H212-S220 VanDerWaalsContact C-OG 3.23Å; H212-S220 WeakPolarHBondContact CA-OG 3.32Å
213C97.9Very high97.6Very high5 Ų521.1 Ų21.13%0.03413%0.128CC..SBendtrans-131.3-134.2162.362.40000106.7G84 L108 N109 G216 R219 S220G84-C213 WeakPolarHBondContact CA-O 3.15Å; G84-C213 PolarHBondContact N-O 2.98Å; L108-C213 HydrophobicContact CB-CB 4.21Å; N109-C213 HydrophobicContact CB-CB 4.32Å; N109-C213 WeakPolarHBondContact OD1-CA 3.27Å; N109-C213 PolarHBondContact OD1-O 3.14Å; N109-C213 VanDerWaalsContact OD1-O 3.08Å; C213-G216 PolarHBondContact SG-N 2.85Å; C213-R219 HydrophobicContact CB-CB 4.02Å; C213-S220 PolarHBondContact N-OG 3.3Å
214S98.1Very high97.9Very high3 Ų318.3 Ų18.32%0.02111%0.113CC..SBendtrans-78.5-55170.2-164.70000112.5R43 Y44 G84 K118R43-S214 WeakPolarHBondContact CD-O 3.35Å; Y44-S214 PolarHBondContact OH-OG 2.77Å; G84-S214 PolarHBondContact N-O 2.79Å; K118-S214 PolarHBondContact O-OG 3.18Å
215A98.3Very high98.2Very high18 Ų1813.7 Ų13.715%0.1498%0.075CC..SBendtrans-93.6-16.3178.600000113.8Y44 V47 I217 R255Y44-A215 HydrophobicContact CD2-CB 3.65Å; Y44-A215 HydrophobicContact CE2-CB 3.72Å; V47-A215 HydrophobicContact CG1-CB 4.44Å; V47-A215 HydrophobicContact CG2-CB 4.28Å; A215-I217 HydrophobicContact CB-CD1 4.4Å; A215-I217 HydrophobicContact CB-CG1 3.97Å; A215-R255 PolarHBondContact O-NH2 2.91Å
216G98.4Very high98.4Very high0 Ų07.2 Ų7.20%05%0.045CC..SBendtrans73.529.1-17800000114.6T82 C213 R255T82-G216 WeakPolarHBondContact O-CA 3.38Å; C213-G216 PolarHBondContact SG-N 2.85Å; G216-R255 PolarHBondContact O-NE 2.82Å
217I98.6Very high98.5Very high5 Ų53.7 Ų3.73%0.0263%0.028CC..SBendtrans-133.3-45.3-177.461.2176.4000114V47 A215 G221 R255 M256 L258 I259 Q260V47-I217 HydrophobicContact CG1-CD1 3.96Å; V47-I217 HydrophobicContact CG1-CG2 3.85Å; V47-I217 HydrophobicContact CG2-CD1 3.7Å; A215-I217 HydrophobicContact CB-CD1 4.4Å; A215-I217 HydrophobicContact CB-CG1 3.97Å; I217-G221 WeakPolarHBondContact O-CA 3.46Å; I217-G221 PolarHBondContact O-N 3.46Å; I217-G221 VanDerWaalsContact O-N 3.07Å; I217-R255 HydrophobicContact CG2-CG 4.14Å; I217-M256 VanDerWaalsContact CG2-O 3.24Å; I217-M256 WeakPolarHBondContact CG2-O 3.37Å; I217-L258 HydrophobicContact CB-CD2 4.29Å; I217-L258 HydrophobicContact CG2-CD2 4.31Å; I217-L258 CarbonylContact O-C 3.5Å; I217-L258 VanDerWaalsContact O-CA 3.28Å; I217-L258 WeakPolarHBondContact O-CA 3.24Å; I217-I259 PolarHBondContact O-N 3.02Å; I217-Q260 VanDerWaalsContact CD1-CD 3.48Å; I217-Q260 HydrophobicContact CD1-CG 4.08Å; I217-Q260 HydrophobicContact CG1-CG 3.88Å
218G97.9Very high98.5Very high6 Ų63.1 Ų3.16%0.0622%0.022CC..Hα-helixtrans-70.3-83.6-178.900000112.7S220 G221 T222G218-S220 VanDerWaalsContact C-N 3.31Å; G218-S220 PolarHBondContact O-N 2.95Å; G218-G221 PolarHBondContact O-N 3.02Å; G218-T222 PolarHBondContact O-N 3.34Å; G218-T222 PolarHBondContact O-OG1 2.83Å
219R98.4Very high98.5Very high4 Ų42.1 Ų2.12%0.0152%0.016CC..Hα-helixtrans-56.3-42.1179.3-60.9178-93.9-173.2-13.9112.8L108 N109 E113 W177 D179 C213 G221 T222 F223L108-R219 HydrophobicContact CB-CB 3.98Å; L108-R219 HydrophobicContact CD1-CB 4.12Å; L108-R219 WeakPolarHBondContact CD1-O 3.09Å; L108-R219 VanDerWaalsContact O-CD 3.23Å; L108-R219 WeakPolarHBondContact O-CD 3.37Å; L108-R219 PolarHBondContact O-NE 3.16Å; L108-R219 PolarHBondContact O-NH1 3.48Å; N109-R219 VanDerWaalsContact CA-NH1 3.26Å; N109-R219 VanDerWaalsContact CB-NH1 3.27Å; E113-R219 IonicContact OE1-CZ 3.99Å; E113-R219 IonicContact OE1-NH1 3.68Å; E113-R219 PolarHBondContact OE1-NH1 3.31Å; E113-R219 IonicContact OE1-NH2 2.79Å; E113-R219 PolarHBondContact OE1-NH2 3.4Å; E113-R219 IonicContact OE2-CZ 3.57Å; E113-R219 IonicContact OE2-NH1 2.89Å; E113-R219 IonicContact OE2-NH2 3.51Å; E113-R219 PolarHBondContact OE2-NH2 3.03Å; W177-R219 HydrophobicContact CD2-CB 4.23Å; W177-R219 HydrophobicContact CD2-CG 3.91Å; W177-R219 HydrophobicContact CE3-CB 4.42Å; W177-R219 HydrophobicContact CG-CG 4.13Å; W177-R219 HydrophobicContact CH2-CB 4.31Å; W177-R219 HydrophobicContact CZ2-CB 4.1Å; W177-R219 HydrophobicContact CZ2-CG 4.03Å; W177-R219 HydrophobicContact CZ3-CB 4.46Å; W177-R219 PolarHBondContact O-NH1 3.39Å; W177-R219 VanDerWaalsContact O-NH1 3.15Å; D179-R219 IonicContact OD1-CZ 3.77Å; D179-R219 IonicContact OD1-NE 3.79Å; D179-R219 IonicContact OD1-NH2 2.7Å; D179-R219 PolarHBondContact OD1-NH2 2.83Å; C213-R219 HydrophobicContact CB-CB 4.02Å; R219-G221 PolarHBondContact O-N 3.49Å; R219-T222 WeakPolarHBondContact O-CB 3.21Å; R219-T222 PolarHBondContact O-N 2.76Å; R219-F223 PolarHBondContact O-N 2.92Å
220S98.8Very high98.4Very high0 Ų02.1 Ų2.10%02%0.016CC..Hα-helixtrans-62.8-40.3175.7-50.50000112.3H212 C213 G218 F223 C224H212-S220 VanDerWaalsContact C-OG 3.23Å; H212-S220 WeakPolarHBondContact CA-OG 3.32Å; C213-S220 PolarHBondContact N-OG 3.3Å; G218-S220 VanDerWaalsContact C-N 3.31Å; G218-S220 PolarHBondContact O-N 2.95Å; S220-F223 PolarHBondContact O-N 2.82Å; S220-C224 PolarHBondContact O-N 2.88Å; S220-C224 VanDerWaalsContact O-N 3.09Å; S220-C224 PolarHBondContact O-SG 3.13Å
221G98.6Very high98.2Very high1 Ų13.2 Ų3.21%0.012%0.022CC..Hα-helixtrans-63.1-44.6174.500000112I217 G218 R219 L225I217-G221 WeakPolarHBondContact O-CA 3.46Å; I217-G221 PolarHBondContact O-N 3.46Å; I217-G221 VanDerWaalsContact O-N 3.07Å; G218-G221 PolarHBondContact O-N 3.02Å; R219-G221 PolarHBondContact O-N 3.49Å; G221-L225 WeakPolarHBondContact O-CB 3.38Å; G221-L225 PolarHBondContact O-N 3.06Å
222T98.7Very high98Very high0 Ų03.6 Ų3.60%02%0.024CC..Hα-helixtrans-57.8-48.5174-59.90000111.7W177 G218 R219 L225 V226 F267W177-T222 HydrophobicContact CH2-CG2 3.67Å; W177-T222 HydrophobicContact CZ2-CG2 3.93Å; G218-T222 PolarHBondContact O-N 3.34Å; G218-T222 PolarHBondContact O-OG1 2.83Å; R219-T222 WeakPolarHBondContact O-CB 3.21Å; R219-T222 PolarHBondContact O-N 2.76Å; T222-L225 PolarHBondContact O-N 3.13Å; T222-V226 HydrophobicContact CG2-CG2 4.48Å; T222-V226 VanDerWaalsContact O-CG2 3.29Å; T222-V226 WeakPolarHBondContact O-CG2 3.29Å; T222-V226 PolarHBondContact O-N 2.84Å; T222-V226 VanDerWaalsContact O-N 3.08Å; T222-F267 HydrophobicContact CG2-CD1 3.9Å; T222-F267 HydrophobicContact CG2-CE1 4.3Å
223F98.8Very high97.8Very high0 Ų03.8 Ų3.80%02%0.024CC..Hα-helixtrans-56.6-54.5179.4-178.7-90000112.2V106 L108 F189 F192 L193 V196 V211 R219 S220 L225 V226 D227V106-F223 HydrophobicContact CG1-CD2 4.39Å; V106-F223 HydrophobicContact CG1-CE1 4.39Å; V106-F223 HydrophobicContact CG1-CE2 4.15Å; V106-F223 HydrophobicContact CG1-CZ 4.15Å; V106-F223 HydrophobicContact CG2-CE1 4.37Å; V106-F223 HydrophobicContact CG2-CZ 4.21Å; L108-F223 HydrophobicContact CD1-CB 3.71Å; L108-F223 HydrophobicContact CD1-CG 4.29Å; L108-F223 HydrophobicContact CD2-CD2 4.45Å; F189-F223 HydrophobicContact CE2-CB 4.44Å; F189-F223 HydrophobicContact CE2-CD2 4.14Å; F189-F223 HydrophobicContact CZ-CD2 4.29Å; F192-F223 HydrophobicContact CD1-CE2 4.14Å; F192-F223 HydrophobicContact CE1-CE2 4.02Å; L193-F223 HydrophobicContact CB-CE2 4.29Å; L193-F223 HydrophobicContact CD1-CD2 4.36Å; L193-F223 HydrophobicContact CD1-CE1 4.18Å; L193-F223 HydrophobicContact CD1-CE2 3.61Å; L193-F223 HydrophobicContact CD1-CZ 3.5Å; L193-F223 VanDerWaalsContact CD1-CZ 3.5Å; V196-F223 HydrophobicContact CB-CZ 4.31Å; V196-F223 HydrophobicContact CG1-CZ 4.25Å; V196-F223 HydrophobicContact CG2-CE2 4.49Å; V196-F223 HydrophobicContact CG2-CZ 4.23Å; V211-F223 HydrophobicContact CG1-CB 4.49Å; V211-F223 HydrophobicContact CG1-CD1 4.05Å; V211-F223 HydrophobicContact CG1-CG 4.46Å; V211-F223 HydrophobicContact CG2-CD1 4.19Å; V211-F223 HydrophobicContact CG2-CE1 4.3Å; R219-F223 PolarHBondContact O-N 2.92Å; S220-F223 PolarHBondContact O-N 2.82Å; F223-L225 PolarHBondContact O-N 2.78Å; F223-V226 PolarHBondContact O-N 2.84Å; F223-D227 WeakPolarHBondContact O-CB 3.32Å; F223-D227 PolarHBondContact O-N 2.87Å; F223-D227 VanDerWaalsContact O-N 3.1Å
224C98.8Very high97.5Very high0 Ų05.9 Ų5.90%04%0.039CC..Hα-helixtrans-69.9-34.1-176.7-65.20000112.7Y79 S220 T228 M251Y79-C224 HydrophobicContact CD1-CB 4.35Å; Y79-C224 VanDerWaalsContact CD1-SG 3.58Å; Y79-C224 HydrophobicContact CD2-CB 4.17Å; Y79-C224 HydrophobicContact CE1-CB 4.35Å; Y79-C224 HydrophobicContact CE2-CB 4.15Å; Y79-C224 HydrophobicContact CG-CB 4.25Å; S220-C224 PolarHBondContact O-N 2.88Å; S220-C224 VanDerWaalsContact O-N 3.09Å; S220-C224 PolarHBondContact O-SG 3.13Å; C224-T228 VanDerWaalsContact O-CB 3.29Å; C224-T228 WeakPolarHBondContact O-CB 3.38Å; C224-T228 PolarHBondContact O-N 2.9Å; C224-T228 PolarHBondContact O-OG1 3.45Å; C224-M251 HydrophobicContact CB-CE 3.36Å
225L98.8Very high97.2Very high0 Ų09.9 Ų9.90%06%0.06CC..Hα-helixtrans-64.4-47.8177178.463.6000111.2G221 T222 F223 T228 C229 I244 V247 L248 M251 I259G221-L225 WeakPolarHBondContact O-CB 3.38Å; G221-L225 PolarHBondContact O-N 3.06Å; T222-L225 PolarHBondContact O-N 3.13Å; F223-L225 PolarHBondContact O-N 2.78Å; L225-T228 PolarHBondContact O-N 2.89Å; L225-C229 WeakPolarHBondContact O-CB 3.46Å; L225-C229 PolarHBondContact O-N 2.84Å; L225-C229 PolarHBondContact O-SG 2.8Å; L225-I244 HydrophobicContact CD1-CG2 4.36Å; L225-I244 HydrophobicContact CD2-CG2 3.73Å; L225-I244 HydrophobicContact CG-CG2 4.25Å; L225-V247 HydrophobicContact CD1-CB 3.92Å; L225-V247 HydrophobicContact CD1-CG1 3.66Å; L225-L248 HydrophobicContact CD1-CB 3.97Å; L225-L248 HydrophobicContact CD2-CB 4.04Å; L225-L248 HydrophobicContact CD2-CD1 4.25Å; L225-L248 HydrophobicContact CD2-CD2 4.34Å; L225-L248 HydrophobicContact CD2-CG 4.44Å; L225-M251 HydrophobicContact CB-SD 4.16Å; L225-M251 HydrophobicContact CD1-SD 3.98Å; L225-I259 HydrophobicContact CB-CD1 4.49Å; L225-I259 HydrophobicContact CD2-CD1 3.34Å
226V98.4Very high96.9Very high0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-63.8-46.1179.7177.70000110.2F189 L190 L193 T222 F223 T228 C229 L230 A271 V272F189-V226 HydrophobicContact CE1-CB 3.85Å; F189-V226 HydrophobicContact CE1-CG1 3.7Å; F189-V226 HydrophobicContact CE1-CG2 4.02Å; F189-V226 HydrophobicContact CZ-CB 4.02Å; F189-V226 HydrophobicContact CZ-CG1 4.36Å; F189-V226 HydrophobicContact CZ-CG2 4.13Å; L190-V226 HydrophobicContact CD2-CG1 4.35Å; L193-V226 HydrophobicContact CD2-CG1 4.17Å; T222-V226 HydrophobicContact CG2-CG2 4.48Å; T222-V226 VanDerWaalsContact O-CG2 3.29Å; T222-V226 WeakPolarHBondContact O-CG2 3.29Å; T222-V226 PolarHBondContact O-N 2.84Å; T222-V226 VanDerWaalsContact O-N 3.08Å; F223-V226 PolarHBondContact O-N 2.84Å; V226-T228 PolarHBondContact O-N 2.65Å; V226-C229 PolarHBondContact O-N 3.31Å; V226-L230 HydrophobicContact CG1-CD1 3.94Å; V226-L230 HydrophobicContact CG1-CG 4.31Å; V226-L230 VanDerWaalsContact O-CG 3.31Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å; V226-L230 PolarHBondContact O-N 3.38Å; V226-A271 HydrophobicContact CG1-CB 3.99Å; V226-A271 HydrophobicContact CG2-CB 3.94Å; V226-V272 HydrophobicContact CB-CG2 4.18Å; V226-V272 HydrophobicContact CG1-CG2 3.91Å; V226-V272 HydrophobicContact CG2-CG2 4.11Å
227D98.3Very high96.3Very high0 Ų022.2 Ų22.20%011%0.108CC..Hα-helixtrans-56.5-49.8176.3-176.855.7000112.1Y79 L193 R197 F223 L230 L231Y79-D227 WeakPolarHBondContact CE1-OD2 3.45Å; Y79-D227 PolarHBondContact OH-OD2 3.34Å; L193-D227 HydrophobicContact CD1-CB 3.88Å; L193-D227 HydrophobicContact CD2-CB 4.37Å; R197-D227 IonicContact CZ-OD1 3.96Å; R197-D227 IonicContact NE-OD1 3.55Å; R197-D227 PolarHBondContact NE-OD1 2.83Å; R197-D227 PolarHBondContact NH2-O 2.87Å; R197-D227 IonicContact NH2-OD1 2.87Å; R197-D227 PolarHBondContact NH2-OD1 2.81Å; F223-D227 WeakPolarHBondContact O-CB 3.32Å; F223-D227 PolarHBondContact O-N 2.87Å; F223-D227 VanDerWaalsContact O-N 3.1Å; D227-L230 PolarHBondContact O-N 2.96Å; D227-L231 WeakPolarHBondContact O-CB 3.3Å; D227-L231 PolarHBondContact O-N 3.19Å
228T98.3Very high95.6Very high2 Ų225.3 Ų25.31%0.01212%0.124CC..Hα-helixtrans-62-46.4179.8-59.30000111.4A72 A75 Y79 C224 L225 V226 L230 L231 L232 V247A72-T228 HydrophobicContact CB-CG2 3.7Å; A75-T228 HydrophobicContact CB-CG2 4.05Å; Y79-T228 WeakPolarHBondContact CE2-OG1 3.39Å; Y79-T228 PolarHBondContact OH-OG1 3.3Å; C224-T228 VanDerWaalsContact O-CB 3.29Å; C224-T228 WeakPolarHBondContact O-CB 3.38Å; C224-T228 PolarHBondContact O-N 2.9Å; C224-T228 PolarHBondContact O-OG1 3.45Å; L225-T228 PolarHBondContact O-N 2.89Å; V226-T228 PolarHBondContact O-N 2.65Å; T228-L230 PolarHBondContact O-N 2.65Å; T228-L231 PolarHBondContact O-N 3.46Å; T228-L232 HydrophobicContact CG2-CD1 4.05Å; T228-L232 HydrophobicContact CG2-CG 4.39Å; T228-L232 WeakPolarHBondContact O-CG 3.5Å; T228-L232 PolarHBondContact O-N 3.02Å; T228-V247 HydrophobicContact CG2-CG1 3.73Å
229C97.9Very high95Very high0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-60.2-48.2179.4-70.70000111.2L225 V226 L231 L232 M233 V242 V272L225-C229 WeakPolarHBondContact O-CB 3.46Å; L225-C229 PolarHBondContact O-N 2.84Å; L225-C229 PolarHBondContact O-SG 2.8Å; V226-C229 PolarHBondContact O-N 3.31Å; C229-L231 VanDerWaalsContact C-N 3.27Å; C229-L231 PolarHBondContact O-N 3.46Å; C229-L232 PolarHBondContact O-N 3.45Å; C229-M233 VanDerWaalsContact O-CG 3.27Å; C229-M233 WeakPolarHBondContact O-CG 3.47Å; C229-M233 PolarHBondContact O-N 3.02Å; C229-V242 HydrophobicContact CB-CG1 4.07Å; C229-V272 HydrophobicContact CB-CG1 3.95Å; C229-V272 HydrophobicContact CB-CG2 3.69Å
230L95.9Very high94.4Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-61.3-36.9177.9-68.7176.8000112L190 L193 V226 D227 T228 M233 S234 V272 G275 I279L190-L230 HydrophobicContact CD2-CD1 4Å; L193-L230 HydrophobicContact CD2-CD1 4.07Å; V226-L230 HydrophobicContact CG1-CD1 3.94Å; V226-L230 HydrophobicContact CG1-CG 4.31Å; V226-L230 VanDerWaalsContact O-CG 3.31Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å; V226-L230 PolarHBondContact O-N 3.38Å; D227-L230 PolarHBondContact O-N 2.96Å; T228-L230 PolarHBondContact O-N 2.65Å; L230-M233 HydrophobicContact CD2-SD 4.41Å; L230-M233 PolarHBondContact O-N 3.17Å; L230-S234 PolarHBondContact O-N 3.34Å; L230-S234 VanDerWaalsContact O-N 3.16Å; L230-S234 PolarHBondContact O-OG 3.18Å; L230-S234 VanDerWaalsContact O-OG 3.13Å; L230-V272 HydrophobicContact CD2-CG1 4.4Å; L230-G275 VanDerWaalsContact CD2-C 3.48Å; L230-I279 HydrophobicContact CD2-CG1 4.44Å
231L95.1Very high94Very high24 Ų2432.3 Ų32.313%0.12617%0.172CC..Hα-helixtrans-67.7-44.5177.2-174.557.3000112.1A75 R77 D227 T228 C229 M233 S234 L235A75-L231 HydrophobicContact CB-CD2 3.95Å; A75-L231 HydrophobicContact CB-CG 4.27Å; A75-L231 WeakPolarHBondContact O-CD2 3.49Å; R77-L231 HydrophobicContact CB-CD2 3.94Å; R77-L231 HydrophobicContact CG-CD2 4.45Å; R77-L231 VanDerWaalsContact NH2-CD2 3.27Å; D227-L231 WeakPolarHBondContact O-CB 3.3Å; D227-L231 PolarHBondContact O-N 3.19Å; T228-L231 PolarHBondContact O-N 3.46Å; C229-L231 VanDerWaalsContact C-N 3.27Å; C229-L231 PolarHBondContact O-N 3.46Å; L231-M233 VanDerWaalsContact C-N 3.29Å; L231-M233 PolarHBondContact O-N 2.9Å; L231-S234 WeakPolarHBondContact O-CB 3.29Å; L231-S234 PolarHBondContact O-N 3.12Å; L231-L235 HydrophobicContact CG-CD1 4.12Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.97Å
232L95.8Very high93.8Very high8 Ų832.4 Ų32.44%0.04217%0.173CC..Hα-helixtrans-60.4-39.1175-71171.7000111.7E74 A75 T228 C229 S234 L235 R236 V242 V247E74-L232 HydrophobicContact CB-CD2 3.96Å; E74-L232 HydrophobicContact CG-CD2 3.78Å; A75-L232 HydrophobicContact CB-CD2 3.81Å; A75-L232 HydrophobicContact CB-CG 4.03Å; T228-L232 HydrophobicContact CG2-CD1 4.05Å; T228-L232 HydrophobicContact CG2-CG 4.39Å; T228-L232 WeakPolarHBondContact O-CG 3.5Å; T228-L232 PolarHBondContact O-N 3.02Å; C229-L232 PolarHBondContact O-N 3.45Å; L232-S234 VanDerWaalsContact C-N 3.35Å; L232-S234 PolarHBondContact O-N 2.78Å; L232-L235 PolarHBondContact O-N 3.37Å; L232-R236 WeakPolarHBondContact O-CB 3.26Å; L232-R236 VanDerWaalsContact O-CG 3.28Å; L232-R236 WeakPolarHBondContact O-CG 3.49Å; L232-R236 PolarHBondContact O-N 2.62Å; L232-V242 HydrophobicContact CB-CG2 3.81Å; L232-V247 HydrophobicContact CD1-CG2 3.76Å
233M93.8Very high93.7Very high3 Ų338.6 Ų38.62%0.01520%0.196CC..Hα-helixtrans-61.1-44.4175.3-67.4-178171.300111.7M1 C229 L230 L231 K237 P239 V242 V272 A276M1-M233 HydrophobicContact CE-CE 3.2Å; M1-M233 HydrophobicContact SD-CE 3.78Å; C229-M233 VanDerWaalsContact O-CG 3.27Å; C229-M233 WeakPolarHBondContact O-CG 3.47Å; C229-M233 PolarHBondContact O-N 3.02Å; L230-M233 HydrophobicContact CD2-SD 4.41Å; L230-M233 PolarHBondContact O-N 3.17Å; L231-M233 VanDerWaalsContact C-N 3.29Å; L231-M233 PolarHBondContact O-N 2.9Å; M233-K237 WeakPolarHBondContact O-CA 3.47Å; M233-K237 PolarHBondContact O-N 2.74Å; M233-P239 HydrophobicContact CE-CB 4.28Å; M233-P239 HydrophobicContact CG-CB 4.24Å; M233-P239 HydrophobicContact SD-CB 3.96Å; M233-V242 HydrophobicContact CB-CG2 4.38Å; M233-V242 HydrophobicContact CE-CB 4.03Å; M233-V242 HydrophobicContact CE-CG1 4.33Å; M233-V242 HydrophobicContact CG-CB 4Å; M233-V242 HydrophobicContact CG-CG1 4.49Å; M233-V242 HydrophobicContact CG-CG2 3.55Å; M233-V272 HydrophobicContact CE-CG1 3.36Å; M233-V272 HydrophobicContact SD-CG1 4.07Å; M233-A276 HydrophobicContact CE-CB 4.48Å; M233-A276 HydrophobicContact SD-CB 3.71Å
234S91.1Very high93.6Very high49 Ų4938.7 Ų38.734%0.34320%0.196SC..Hα-helixtrans-62.7-43.3176.1-58.40000112.3L230 L231 L232 I279L230-S234 PolarHBondContact O-N 3.34Å; L230-S234 VanDerWaalsContact O-N 3.16Å; L230-S234 PolarHBondContact O-OG 3.18Å; L230-S234 VanDerWaalsContact O-OG 3.13Å; L231-S234 WeakPolarHBondContact O-CB 3.29Å; L231-S234 PolarHBondContact O-N 3.12Å; L232-S234 VanDerWaalsContact C-N 3.35Å; L232-S234 PolarHBondContact O-N 2.78Å; S234-I279 WeakPolarHBondContact OG-CD1 3.19Å; S234-I279 WeakPolarHBondContact OG-CG2 3.41Å
235L92Very high93.5Very high88 Ų8841.4 Ų41.446%0.46121%0.207SC..Hα-helixtrans-67.1-47.2-178.7-72.3169.8000112L231 L232 K237L231-L235 HydrophobicContact CG-CD1 4.12Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.97Å; L232-L235 PolarHBondContact O-N 3.37Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.42Å
236R92.4Very high93.4Very high89 Ų8946.5 Ų46.534%0.33623%0.231SC..Hα-helixtrans-76.2-17.4-178.5-63.6177.4-175.1-178.8-1.4113E74 L232 D238 S241E74-R236 IonicContact OE1-CZ 3.95Å; E74-R236 VanDerWaalsContact OE1-CZ 3.23Å; E74-R236 IonicContact OE1-NE 3.26Å; E74-R236 PolarHBondContact OE1-NE 3.2Å; E74-R236 IonicContact OE1-NH2 3.97Å; E74-R236 PolarHBondContact OE1-NH2 3.3Å; E74-R236 IonicContact OE2-CZ 3.81Å; E74-R236 IonicContact OE2-NE 2.8Å; E74-R236 IonicContact OE2-NH2 3.17Å; E74-R236 PolarHBondContact OE2-NH2 3.31Å; L232-R236 WeakPolarHBondContact O-CB 3.26Å; L232-R236 VanDerWaalsContact O-CG 3.28Å; L232-R236 WeakPolarHBondContact O-CG 3.49Å; L232-R236 PolarHBondContact O-N 2.62Å; R236-D238 PolarHBondContact O-N 3.15Å; R236-D238 VanDerWaalsContact O-N 3.11Å; R236-S241 WeakPolarHBondContact CD-OG 3.35Å; R236-S241 PolarHBondContact NH1-O 3.32Å
237K86.3Confident93.4Very high188 Ų18847.4 Ų47.482%0.81724%0.236SC*.THydrogen-bonded Turntrans55.920-173.1-55.2-177.3-179.8-178.70113.9M233 L235M233-K237 WeakPolarHBondContact O-CA 3.47Å; M233-K237 PolarHBondContact O-N 2.74Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.42Å
238D84.2Confident93.4Very high69 Ų6947.4 Ų47.437%0.36924%0.236SC..  trans-142100.5177.7176.213.1000109.5R236 S240 S241R236-D238 PolarHBondContact O-N 3.15Å; R236-D238 VanDerWaalsContact O-N 3.11Å; D238-S240 VanDerWaalsContact CG-OG 3.23Å; D238-S240 PolarHBondContact O-N 3.45Å; D238-S240 WeakPolarHBondContact OD1-CB 3.3Å; D238-S240 PolarHBondContact OD1-N 3.1Å; D238-S240 PolarHBondContact OD1-OG 3.08Å; D238-S240 PolarHBondContact OD2-OG 2.92Å; D238-S240 VanDerWaalsContact OD2-OG 3.07Å; D238-S241 WeakPolarHBondContact O-CB 3.36Å; D238-S241 PolarHBondContact O-N 2.91Å; D238-S241 PolarHBondContact O-OG 3.5Å
239P84.7Confident93.4Very high27 Ų2748.9 Ų48.918%0.17524%0.243CC..G310 helixtrans-60.9-23.7177.7-28.438.9000114.4M233 S241 K280M233-P239 HydrophobicContact CE-CB 4.28Å; M233-P239 HydrophobicContact CG-CB 4.24Å; M233-P239 HydrophobicContact SD-CB 3.96Å; P239-S241 VanDerWaalsContact C-N 3.27Å; P239-S241 PolarHBondContact O-N 3.16Å; P239-K280 HydrophobicContact CG-CG 4.3Å
240S86.4Confident93.4Very high91 Ų9153.3 Ų53.364%0.63626%0.264SS*.G310 helixtrans-73.4-21.9-179760000113.1D238 V242D238-S240 VanDerWaalsContact CG-OG 3.23Å; D238-S240 PolarHBondContact O-N 3.45Å; D238-S240 WeakPolarHBondContact OD1-CB 3.3Å; D238-S240 PolarHBondContact OD1-N 3.1Å; D238-S240 PolarHBondContact OD1-OG 3.08Å; D238-S240 PolarHBondContact OD2-OG 2.92Å; D238-S240 VanDerWaalsContact OD2-OG 3.07Å; S240-V242 VanDerWaalsContact C-N 3.32Å; S240-V242 PolarHBondContact O-N 3.5Å
241S90Very high93.5Very high40 Ų4053.5 Ų53.528%0.2827%0.265SS..G310 helixtrans-73.7-18.617972.70000114.2R236 D238 P239R236-S241 WeakPolarHBondContact CD-OG 3.35Å; R236-S241 PolarHBondContact NH1-O 3.32Å; D238-S241 WeakPolarHBondContact O-CB 3.36Å; D238-S241 PolarHBondContact O-N 2.91Å; D238-S241 PolarHBondContact O-OG 3.5Å; P239-S241 VanDerWaalsContact C-N 3.27Å; P239-S241 PolarHBondContact O-N 3.16Å
242V94.9Very high93.7Very high2 Ų252.8 Ų52.81%0.01226%0.261CS..  trans-88.4121.1-174.8179.30000110.6M1 C229 L232 M233 S240 V247M1-V242 HydrophobicContact CE-CB 4.39Å; M1-V242 HydrophobicContact CE-CG1 4.35Å; M1-V242 VanDerWaalsContact CE-O 3.22Å; M1-V242 WeakPolarHBondContact CE-O 3.26Å; C229-V242 HydrophobicContact CB-CG1 4.07Å; L232-V242 HydrophobicContact CB-CG2 3.81Å; M233-V242 HydrophobicContact CB-CG2 4.38Å; M233-V242 HydrophobicContact CE-CB 4.03Å; M233-V242 HydrophobicContact CE-CG1 4.33Å; M233-V242 HydrophobicContact CG-CB 4Å; M233-V242 HydrophobicContact CG-CG1 4.49Å; M233-V242 HydrophobicContact CG-CG2 3.55Å; S240-V242 VanDerWaalsContact C-N 3.32Å; S240-V242 PolarHBondContact O-N 3.5Å; V242-V247 HydrophobicContact CG1-CG2 4.41Å
243R95.6Very high93.8Very high131 Ų13158.1 Ų58.149%0.49428%0.28SS..  trans-108.399.6-178.3-62.9-93.9-92179.1-15.1108.7R245 E246 V247R243-R245 PolarHBondContact O-N 3.45Å; R243-E246 HydrophobicContact CB-CB 4.01Å; R243-E246 VanDerWaalsContact CB-CD 3.46Å; R243-E246 HydrophobicContact CB-CG 3.87Å; R243-E246 IonicContact CZ-OE1 3.52Å; R243-E246 IonicContact NE-OE1 3.41Å; R243-E246 PolarHBondContact NE-OE1 3.42Å; R243-E246 IonicContact NH2-OE1 3.92Å; R243-E246 PolarHBondContact O-N 3.03Å; R243-V247 PolarHBondContact O-N 3Å; R243-V247 VanDerWaalsContact O-N 3.12Å
244I97.1Very high94Very high1 Ų159.1 Ų59.11%0.00529%0.285CS..Hα-helixtrans-52.5-43.8-173.4-68.6174.8000111.6M1 L225 E246 V247 L248 Y269 V272M1-I244 HydrophobicContact CE-CD1 3.68Å; M1-I244 HydrophobicContact CE-CG1 3.5Å; M1-I244 VanDerWaalsContact CE-CG1 3.5Å; M1-I244 HydrophobicContact CG-CD1 3.93Å; M1-I244 HydrophobicContact SD-CD1 3.44Å; M1-I244 WeakPolarHBondContact SD-CD1 3Å; M1-I244 HydrophobicContact SD-CG1 4.01Å; L225-I244 HydrophobicContact CD1-CG2 4.36Å; L225-I244 HydrophobicContact CD2-CG2 3.73Å; L225-I244 HydrophobicContact CG-CG2 4.25Å; I244-E246 PolarHBondContact O-N 3.26Å; I244-V247 PolarHBondContact O-N 3.02Å; I244-L248 WeakPolarHBondContact O-CB 3.35Å; I244-L248 PolarHBondContact O-N 3.05Å; I244-Y269 HydrophobicContact CB-CD2 4.37Å; I244-Y269 HydrophobicContact CB-CE1 4.46Å; I244-Y269 HydrophobicContact CB-CE2 3.83Å; I244-Y269 HydrophobicContact CD1-CD1 3.75Å; I244-Y269 HydrophobicContact CD1-CD2 3.79Å; I244-Y269 HydrophobicContact CD1-CE1 4.04Å; I244-Y269 HydrophobicContact CD1-CE2 4.06Å; I244-Y269 HydrophobicContact CD1-CG 3.62Å; I244-Y269 HydrophobicContact CG2-CD2 4.01Å; I244-Y269 HydrophobicContact CG2-CE2 3.64Å; I244-V272 HydrophobicContact CD1-CB 3.92Å; I244-V272 HydrophobicContact CD1-CG1 4.13Å; I244-V272 HydrophobicContact CD1-CG2 4.07Å
245R96.9Very high94.4Very high58 Ų5856.8 Ų56.822%0.21927%0.269CS..Hα-helixtrans-57.1-46.1178175.7176.4168.6161.66.1113.2D20 I21 R243 L248 L249D20-R245 VanDerWaalsContact CG-NH2 3.26Å; D20-R245 IonicContact OD1-NH2 3.23Å; D20-R245 IonicContact OD2-CZ 2.63Å; D20-R245 IonicContact OD2-NH1 2.68Å; D20-R245 PolarHBondContact OD2-NH1 2.75Å; D20-R245 IonicContact OD2-NH2 2.73Å; D20-R245 PolarHBondContact OD2-NH2 2.92Å; I21-R245 HydrophobicContact CD1-CB 4.38Å; I21-R245 HydrophobicContact CD1-CG 3.88Å; I21-R245 HydrophobicContact CG1-CG 3.87Å; R243-R245 PolarHBondContact O-N 3.45Å; R245-L248 PolarHBondContact O-N 2.52Å; R245-L249 HydrophobicContact CG-CD1 4.2Å; R245-L249 WeakPolarHBondContact O-CG 3.37Å; R245-L249 PolarHBondContact O-N 3.42Å
246E96.8Very high94.7Very high107 Ų10754.9 Ų54.950%0.526%0.258SS..Hα-helixtrans-67-42.1-179-65.5169.9-160.200110.2R243 I244 L248 L249 E250R243-E246 HydrophobicContact CB-CB 4.01Å; R243-E246 VanDerWaalsContact CB-CD 3.46Å; R243-E246 HydrophobicContact CB-CG 3.87Å; R243-E246 IonicContact CZ-OE1 3.52Å; R243-E246 IonicContact NE-OE1 3.41Å; R243-E246 PolarHBondContact NE-OE1 3.42Å; R243-E246 IonicContact NH2-OE1 3.92Å; R243-E246 PolarHBondContact O-N 3.03Å; I244-E246 PolarHBondContact O-N 3.26Å; E246-L248 VanDerWaalsContact C-N 3.35Å; E246-L248 PolarHBondContact O-N 3.29Å; E246-L249 PolarHBondContact O-N 3.35Å; E246-E250 PolarHBondContact O-N 3.38Å
247V98.2Very high94.9Very high18 Ų1851.6 Ų51.611%0.10925%0.252CS..Hα-helixtrans-60.6-43.9174.6-178.50000111L225 T228 L232 V242 R243 I244 E250 M251L225-V247 HydrophobicContact CD1-CB 3.92Å; L225-V247 HydrophobicContact CD1-CG1 3.66Å; T228-V247 HydrophobicContact CG2-CG1 3.73Å; L232-V247 HydrophobicContact CD1-CG2 3.76Å; V242-V247 HydrophobicContact CG1-CG2 4.41Å; R243-V247 PolarHBondContact O-N 3Å; R243-V247 VanDerWaalsContact O-N 3.12Å; I244-V247 PolarHBondContact O-N 3.02Å; V247-E250 PolarHBondContact O-N 3.11Å; V247-M251 HydrophobicContact CG1-SD 4.21Å; V247-M251 VanDerWaalsContact O-CG 3.29Å; V247-M251 WeakPolarHBondContact O-CG 3.35Å; V247-M251 PolarHBondContact O-N 2.82Å
248L98.5Very high95.5Very high0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-64.1-43177.7177.457.6000112.3I21 L225 I244 R245 E246 E250 M251 R252 L258 I259 L265I21-L248 HydrophobicContact CD1-CD2 4.18Å; I21-L248 HydrophobicContact CG2-CD2 3.98Å; I21-L248 HydrophobicContact CG2-CG 4.34Å; L225-L248 HydrophobicContact CD1-CB 3.97Å; L225-L248 HydrophobicContact CD2-CB 4.04Å; L225-L248 HydrophobicContact CD2-CD1 4.25Å; L225-L248 HydrophobicContact CD2-CD2 4.34Å; L225-L248 HydrophobicContact CD2-CG 4.44Å; I244-L248 WeakPolarHBondContact O-CB 3.35Å; I244-L248 PolarHBondContact O-N 3.05Å; R245-L248 PolarHBondContact O-N 2.52Å; E246-L248 VanDerWaalsContact C-N 3.35Å; E246-L248 PolarHBondContact O-N 3.29Å; L248-E250 VanDerWaalsContact C-N 3.31Å; L248-E250 PolarHBondContact O-N 3.04Å; L248-M251 PolarHBondContact O-N 3.2Å; L248-R252 HydrophobicContact CD1-CG 4.24Å; L248-R252 WeakPolarHBondContact O-CB 3.24Å; L248-R252 WeakPolarHBondContact O-CG 3.22Å; L248-R252 PolarHBondContact O-N 2.98Å; L248-L258 HydrophobicContact CD1-CB 3.99Å; L248-I259 HydrophobicContact CD1-CD1 4.11Å; L248-I259 HydrophobicContact CD1-CG1 4.22Å; L248-I259 HydrophobicContact CD2-CB 4.42Å; L248-I259 HydrophobicContact CD2-CD1 3.99Å; L248-L265 HydrophobicContact CD2-CD1 3.91Å
249L98.2Very high96.2Very high33 Ų3339.4 Ų39.417%0.17320%0.196CC..Hα-helixtrans-60.8-41.8176.3-75.7168.9000111.2I21 Q24 R245 E246 R252 R253I21-L249 HydrophobicContact CG2-CD2 3.97Å; I21-L249 HydrophobicContact CG2-CG 4.39Å; Q24-L249 HydrophobicContact CB-CD1 4.43Å; Q24-L249 HydrophobicContact CB-CD2 3.86Å; R245-L249 HydrophobicContact CG-CD1 4.2Å; R245-L249 WeakPolarHBondContact O-CG 3.37Å; R245-L249 PolarHBondContact O-N 3.42Å; E246-L249 PolarHBondContact O-N 3.35Å; L249-R252 PolarHBondContact O-N 3.42Å; L249-R253 PolarHBondContact O-N 2.63Å
250E97.9Very high96.8Very high93 Ų9341.2 Ų41.244%0.43520%0.202SC..Hα-helixtrans-63.9-46176.2-173.853.3-13700111.9E246 V247 L248 R252 R253 H254E246-E250 PolarHBondContact O-N 3.38Å; V247-E250 PolarHBondContact O-N 3.11Å; L248-E250 VanDerWaalsContact C-N 3.31Å; L248-E250 PolarHBondContact O-N 3.04Å; E250-R252 VanDerWaalsContact C-N 3.26Å; E250-R252 PolarHBondContact O-N 2.7Å; E250-R253 VanDerWaalsContact O-CB 3.25Å; E250-R253 WeakPolarHBondContact O-CB 3.38Å; E250-R253 WeakPolarHBondContact O-CG 3.14Å; E250-R253 PolarHBondContact O-N 3.11Å; E250-R253 WeakPolarHBondContact OE1-CD 3.41Å; E250-R253 IonicContact OE1-NE 3.93Å; E250-R253 WeakPolarHBondContact OE2-CD 3.23Å; E250-R253 IonicContact OE2-NE 2.8Å; E250-H254 PolarHBondContact O-ND1 3.26Å
251M98.4Very high97.3Very high5 Ų538 Ų383%0.02518%0.178CC..Hα-helixtrans-61.3-36.4175.5-68177.676.200112.1I70 C224 L225 V247 L248 R253 H254 R255 L258I70-M251 HydrophobicContact CG2-CB 4.28Å; I70-M251 HydrophobicContact CG2-CE 4.2Å; I70-M251 HydrophobicContact CG2-CG 4.19Å; C224-M251 HydrophobicContact CB-CE 3.36Å; L225-M251 HydrophobicContact CB-SD 4.16Å; L225-M251 HydrophobicContact CD1-SD 3.98Å; V247-M251 HydrophobicContact CG1-SD 4.21Å; V247-M251 VanDerWaalsContact O-CG 3.29Å; V247-M251 WeakPolarHBondContact O-CG 3.35Å; V247-M251 PolarHBondContact O-N 2.82Å; L248-M251 PolarHBondContact O-N 3.2Å; M251-R253 PolarHBondContact O-N 2.7Å; M251-H254 WeakPolarHBondContact O-CB 3.27Å; M251-H254 PolarHBondContact O-N 2.81Å; M251-R255 PolarHBondContact O-N 3.09Å; M251-L258 HydrophobicContact CB-CD1 3.67Å; M251-L258 HydrophobicContact CE-CD1 4.44Å
252R98.4Very high97.7Very high8 Ų837.1 Ų37.13%0.0317%0.172CC..THydrogen-bonded Turntrans-66.8-11176.3-79.5-172173.3-168.21.1113.9S25 F50 L248 L249 E250 H254 R255 L258 I259S25-R252 WeakPolarHBondContact OG-CD 3.33Å; S25-R252 PolarHBondContact OG-NH1 3.44Å; F50-R252 WeakPolarHBondContact CE2-O 3.37Å; L248-R252 HydrophobicContact CD1-CG 4.24Å; L248-R252 WeakPolarHBondContact O-CB 3.24Å; L248-R252 WeakPolarHBondContact O-CG 3.22Å; L248-R252 PolarHBondContact O-N 2.98Å; L249-R252 PolarHBondContact O-N 3.42Å; E250-R252 VanDerWaalsContact C-N 3.26Å; E250-R252 PolarHBondContact O-N 2.7Å; R252-H254 PolarHBondContact O-N 2.75Å; R252-R255 WeakPolarHBondContact CA-O 3.34Å; R252-L258 HydrophobicContact CG-CB 3.94Å; R252-L258 HydrophobicContact CG-CG 4.28Å; R252-L258 PolarHBondContact NE-O 2.68Å; R252-L258 PolarHBondContact NH2-O 3.34Å; R252-I259 PolarHBondContact NH2-O 2.63Å
253R98.2Very high97.8Very high120 Ų12041.8 Ų41.845%0.45320%0.197SC..THydrogen-bonded Turntrans-70.7-22.8168.8-58.117460.872.92.6113.1C26 L28 F50 H52 L249 E250 M251C26-R253 VanDerWaalsContact SG-CA 3.55Å; L28-R253 VanDerWaalsContact CD1-O 3.25Å; L28-R253 WeakPolarHBondContact CD1-O 3.47Å; F50-R253 WeakPolarHBondContact CD2-O 3.27Å; H52-R253 PolarHBondContact CE1-O 3.26Å; H52-R253 VanDerWaalsContact CE1-O 3.27Å; H52-R253 PolarHBondContact NE2-O 2.81Å; L249-R253 PolarHBondContact O-N 2.63Å; E250-R253 VanDerWaalsContact O-CB 3.25Å; E250-R253 WeakPolarHBondContact O-CB 3.38Å; E250-R253 WeakPolarHBondContact O-CG 3.14Å; E250-R253 PolarHBondContact O-N 3.11Å; E250-R253 WeakPolarHBondContact OE1-CD 3.41Å; E250-R253 IonicContact OE1-NE 3.93Å; E250-R253 WeakPolarHBondContact OE2-CD 3.23Å; E250-R253 IonicContact OE2-NE 2.8Å; M251-R253 PolarHBondContact O-N 2.7Å
254H98.4Very high97.9Very high25 Ų2535.7 Ų35.712%0.11617%0.174CC..THydrogen-bonded Turntrans-96.4-33.5-178.2-63.382.9000112.5S53 L69 I70 T71 E250 M251 R252S53-H254 WeakPolarHBondContact CB-O 3.41Å; S53-H254 PolarHBondContact OG-O 3.03Å; L69-H254 PolarHBondContact O-CD2 3.12Å; L69-H254 VanDerWaalsContact O-CD2 3.3Å; I70-H254 HydrophobicContact CB-CB 4.17Å; I70-H254 HydrophobicContact CG1-CB 3.88Å; I70-H254 HydrophobicContact CG2-CB 4.16Å; T71-H254 PolarHBondContact O-CE1 3Å; E250-H254 PolarHBondContact O-ND1 3.26Å; M251-H254 WeakPolarHBondContact O-CB 3.27Å; M251-H254 PolarHBondContact O-N 2.81Å; R252-H254 PolarHBondContact O-N 2.75Å
255R98.6Very high98Very high0 Ų035.7 Ų35.70%017%0.174CC..BIsolated β-bridgetrans-146.8133.7176.6-170.9172179.276.70.4110.2N66 S68 I70 A215 G216 I217 M251 R252 L258N66-R255 PolarHBondContact OD1-NH1 2.86Å; N66-R255 PolarHBondContact OD1-NH2 2.9Å; S68-R255 PolarHBondContact OG-NH1 2.96Å; I70-R255 HydrophobicContact CD1-CB 4.24Å; A215-R255 PolarHBondContact O-NH2 2.91Å; G216-R255 PolarHBondContact O-NE 2.82Å; I217-R255 HydrophobicContact CG2-CG 4.14Å; M251-R255 PolarHBondContact O-N 3.09Å; R252-R255 WeakPolarHBondContact CA-O 3.34Å; R255-L258 HydrophobicContact CB-CD2 4.12Å; R255-L258 HydrophobicContact CB-CG 4.45Å; R255-L258 HydrophobicContact CG-CD2 4.24Å; R255-L258 WeakPolarHBondContact O-CG 3.29Å
256M98.3Very high98Very high47 Ų4736.5 Ų36.523%0.23218%0.177CC..THydrogen-bonded Turntrans-61.4152.5179.762.9179.358.100112.7C30 S48 F50 I217 L258C30-M256 WeakPolarHBondContact SG-CE 3.39Å; S48-M256 PolarHBondContact N-SD 2.85Å; S48-M256 VanDerWaalsContact N-SD 3.41Å; S48-M256 WeakPolarHBondContact O-CE 3.19Å; F50-M256 HydrophobicContact CD1-CE 4.32Å; F50-M256 HydrophobicContact CE1-CB 4.18Å; F50-M256 HydrophobicContact CE1-CE 3.81Å; F50-M256 HydrophobicContact CE2-CB 4.4Å; F50-M256 HydrophobicContact CZ-CB 3.75Å; F50-M256 HydrophobicContact CZ-CE 4.48Å; I217-M256 VanDerWaalsContact CG2-O 3.24Å; I217-M256 WeakPolarHBondContact CG2-O 3.37Å; M256-L258 VanDerWaalsContact C-N 3.25Å; M256-L258 PolarHBondContact O-N 3.3Å; M256-L258 VanDerWaalsContact O-N 3.1Å
257G97.7Very high98.1Very high21 Ų2131.8 Ų31.822%0.21616%0.155CC..THydrogen-bonded Turntrans64.818.7161.700000116.2I259 Q260G257-I259 PolarHBondContact O-N 2.97Å; G257-Q260 PolarHBondContact O-NE2 2.89Å
258L98.6Very high98.1Very high0 Ų031 Ų310%015%0.15CC..  trans-57130.8175.7-59.2-178.1000110.3I70 L81 I217 L248 M251 R252 R255 M256I70-L258 HydrophobicContact CD1-CD1 3.65Å; I70-L258 HydrophobicContact CD1-CD2 4.4Å; L81-L258 HydrophobicContact CD2-CD2 3.56Å; I217-L258 HydrophobicContact CB-CD2 4.29Å; I217-L258 HydrophobicContact CG2-CD2 4.31Å; I217-L258 CarbonylContact O-C 3.5Å; I217-L258 VanDerWaalsContact O-CA 3.28Å; I217-L258 WeakPolarHBondContact O-CA 3.24Å; L248-L258 HydrophobicContact CD1-CB 3.99Å; M251-L258 HydrophobicContact CB-CD1 3.67Å; M251-L258 HydrophobicContact CE-CD1 4.44Å; R252-L258 HydrophobicContact CG-CB 3.94Å; R252-L258 HydrophobicContact CG-CG 4.28Å; R252-L258 PolarHBondContact NE-O 2.68Å; R252-L258 PolarHBondContact NH2-O 3.34Å; R255-L258 HydrophobicContact CB-CD2 4.12Å; R255-L258 HydrophobicContact CB-CG 4.45Å; R255-L258 HydrophobicContact CG-CD2 4.24Å; R255-L258 WeakPolarHBondContact O-CG 3.29Å; M256-L258 VanDerWaalsContact C-N 3.25Å; M256-L258 PolarHBondContact O-N 3.3Å; M256-L258 VanDerWaalsContact O-N 3.1Å
259I98.4Very high98.1Very high0 Ų031 Ų310%015%0.15CC..SBendtrans63.8117.9-166.1-60.8-175.1000111.1Y18 I217 L225 L248 R252 G257 Q264 L265 S268Y18-I259 HydrophobicContact CE2-CG2 4.19Å; Y18-I259 WeakPolarHBondContact CE2-O 3.32Å; Y18-I259 PolarHBondContact OH-O 3.47Å; I217-I259 PolarHBondContact O-N 3.02Å; L225-I259 HydrophobicContact CB-CD1 4.49Å; L225-I259 HydrophobicContact CD2-CD1 3.34Å; L248-I259 HydrophobicContact CD1-CD1 4.11Å; L248-I259 HydrophobicContact CD1-CG1 4.22Å; L248-I259 HydrophobicContact CD2-CB 4.42Å; L248-I259 HydrophobicContact CD2-CD1 3.99Å; R252-I259 PolarHBondContact NH2-O 2.63Å; G257-I259 PolarHBondContact O-N 2.97Å; I259-Q264 HydrophobicContact CG2-CB 3.72Å; I259-L265 HydrophobicContact CD1-CD1 4.45Å; I259-L265 HydrophobicContact CG2-CB 4.03Å; I259-S268 WeakPolarHBondContact CD1-OG 3.44Å
260Q97.4Very high98Very high66 Ų6631.7 Ų31.731%0.30815%0.154SC..  trans-107.2-14.6-168-75-75.4-78.500114.1Y18 I217 G257Y18-Q260 VanDerWaalsContact OH-CA 3.31Å; Y18-Q260 WeakPolarHBondContact OH-CA 3.36Å; Y18-Q260 PolarHBondContact OH-O 2.84Å; I217-Q260 VanDerWaalsContact CD1-CD 3.48Å; I217-Q260 HydrophobicContact CD1-CG 4.08Å; I217-Q260 HydrophobicContact CG1-CG 3.88Å; G257-Q260 PolarHBondContact O-NE2 2.89Å
261T97.7Very high97.9Very high23 Ų2327.3 Ų27.314%0.14113%0.133CC..SBendtrans-136153.7-179.967.70000111.6F180 D263 Q264 L265F180-T261 HydrophobicContact CB-CG2 4.44Å; F180-T261 HydrophobicContact CD1-CG2 4.29Å; T261-D263 PolarHBondContact O-N 2.68Å; T261-Q264 PolarHBondContact O-N 3.33Å; T261-Q264 VanDerWaalsContact O-N 3.16Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.48Å; T261-Q264 PolarHBondContact OG1-N 3Å; T261-Q264 VanDerWaalsContact OG1-N 3.13Å; T261-L265 PolarHBondContact O-N 3.35Å
262P97.8Very high97.9Very high22 Ų2227 Ų2714%0.14313%0.132CC..Hα-helixtrans-54.7-37.6170-23.331.9000112.4W14 N15 Y18 Q264 L265 R266W14-P262 HydrophobicContact CB-CB 4.08Å; N15-P262 VanDerWaalsContact OD1-CG 3.31Å; N15-P262 WeakPolarHBondContact OD1-CG 3.31Å; Y18-P262 HydrophobicContact CD1-CG 3.84Å; Y18-P262 HydrophobicContact CG-CG 4.07Å; P262-Q264 PolarHBondContact O-N 3.29Å; P262-L265 WeakPolarHBondContact O-CB 3.28Å; P262-L265 PolarHBondContact O-N 3.48Å; P262-L265 VanDerWaalsContact O-N 3.14Å; P262-R266 WeakPolarHBondContact O-CB 3.44Å; P262-R266 PolarHBondContact O-N 2.93Å
263D97.3Very high97.7Very high99 Ų9927.8 Ų27.853%0.52914%0.136SC..Hα-helixtrans-65-37.9178.2-66.7-17.8000112.4V182 T261 L265 R266 F267V182-D263 HydrophobicContact CG1-CB 4.18Å; V182-D263 WeakPolarHBondContact CG1-O 3.47Å; T261-D263 PolarHBondContact O-N 2.68Å; D263-L265 VanDerWaalsContact C-N 3.32Å; D263-R266 PolarHBondContact O-N 2.81Å; D263-F267 VanDerWaalsContact O-CB 3.26Å; D263-F267 WeakPolarHBondContact O-CB 3.28Å; D263-F267 PolarHBondContact O-N 2.68Å
264Q98Very high97.5Very high4 Ų424.2 Ų24.22%0.01912%0.124CC..Hα-helixtrans-66-35.8173.4-76.2172.3200111.9V182 I259 T261 P262 S268V182-Q264 HydrophobicContact CG1-CG 4.1Å; I259-Q264 HydrophobicContact CG2-CB 3.72Å; T261-Q264 PolarHBondContact O-N 3.33Å; T261-Q264 VanDerWaalsContact O-N 3.16Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.48Å; T261-Q264 PolarHBondContact OG1-N 3Å; T261-Q264 VanDerWaalsContact OG1-N 3.13Å; P262-Q264 PolarHBondContact O-N 3.29Å; Q264-S268 WeakPolarHBondContact O-CB 3.42Å; Q264-S268 PolarHBondContact O-N 2.73Å; Q264-S268 PolarHBondContact O-OG 2.87Å
265L98.3Very high97.2Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-65.6-50.4173.4-17863000110.6W14 V17 Y18 I21 L248 I259 T261 P262 D263 F267 S268 Y269W14-L265 HydrophobicContact CE3-CD2 4.3Å; W14-L265 HydrophobicContact CE3-CG 4.32Å; W14-L265 HydrophobicContact CZ3-CD2 4.32Å; W14-L265 HydrophobicContact CZ3-CG 4.07Å; V17-L265 HydrophobicContact CG1-CD2 4.1Å; Y18-L265 HydrophobicContact CD2-CD2 4.42Å; I21-L265 HydrophobicContact CD1-CD1 4.24Å; I21-L265 HydrophobicContact CD1-CD2 3.75Å; L248-L265 HydrophobicContact CD2-CD1 3.91Å; I259-L265 HydrophobicContact CD1-CD1 4.45Å; I259-L265 HydrophobicContact CG2-CB 4.03Å; T261-L265 PolarHBondContact O-N 3.35Å; P262-L265 WeakPolarHBondContact O-CB 3.28Å; P262-L265 PolarHBondContact O-N 3.48Å; P262-L265 VanDerWaalsContact O-N 3.14Å; D263-L265 VanDerWaalsContact C-N 3.32Å; L265-F267 VanDerWaalsContact C-N 3.32Å; L265-F267 PolarHBondContact O-N 3.22Å; L265-S268 WeakPolarHBondContact O-CA 3.28Å; L265-S268 VanDerWaalsContact O-CB 3.3Å; L265-S268 WeakPolarHBondContact O-CB 3.32Å; L265-S268 PolarHBondContact O-N 3.44Å; L265-Y269 HydrophobicContact CD1-CD2 4.38Å; L265-Y269 HydrophobicContact CD1-CE2 4.04Å; L265-Y269 HydrophobicContact CG-CD2 4.48Å; L265-Y269 HydrophobicContact CG-CE2 4.3Å; L265-Y269 WeakPolarHBondContact O-CD2 3.49Å; L265-Y269 PolarHBondContact O-N 3.24Å; L265-Y269 VanDerWaalsContact O-N 3.11Å
266R97.8Very high96.9Very high76 Ų7623.2 Ų23.229%0.28712%0.121SC..Hα-helixtrans-54.3-47.2175.2-179179.6-175-81.9-6.7111.8F5 D9 W14 P262 D263 S268 Y269 L270F5-R266 HydrophobicContact CE2-CG 3.95Å; F5-R266 HydrophobicContact CZ-CG 4.49Å; D9-R266 IonicContact OD1-CZ 3.49Å; D9-R266 IonicContact OD1-NE 2.75Å; D9-R266 PolarHBondContact OD1-NE 3.42Å; D9-R266 IonicContact OD1-NH2 3.56Å; D9-R266 PolarHBondContact OD1-NH2 3.37Å; D9-R266 IonicContact OD2-CZ 3.58Å; D9-R266 IonicContact OD2-NE 3.58Å; D9-R266 IonicContact OD2-NH2 2.76Å; D9-R266 PolarHBondContact OD2-NH2 2.99Å; W14-R266 HydrophobicContact CD2-CB 3.72Å; W14-R266 HydrophobicContact CD2-CG 4.06Å; W14-R266 HydrophobicContact CE3-CB 3.96Å; W14-R266 HydrophobicContact CG-CB 4.26Å; W14-R266 HydrophobicContact CH2-CB 4.25Å; W14-R266 HydrophobicContact CH2-CG 4.38Å; W14-R266 HydrophobicContact CZ2-CB 4Å; W14-R266 HydrophobicContact CZ2-CG 3.72Å; W14-R266 HydrophobicContact CZ3-CB 4.22Å; P262-R266 WeakPolarHBondContact O-CB 3.44Å; P262-R266 PolarHBondContact O-N 2.93Å; D263-R266 PolarHBondContact O-N 2.81Å; R266-S268 VanDerWaalsContact C-N 3.3Å; R266-S268 PolarHBondContact O-N 3.49Å; R266-Y269 WeakPolarHBondContact O-CB 3.43Å; R266-Y269 PolarHBondContact O-N 3.02Å; R266-L270 PolarHBondContact O-N 3Å
267F98.1Very high96.5Very high8 Ų825.3 Ų25.34%0.03513%0.129CC..Hα-helixtrans-62.2-37.7176.7-179.9-91.2000112.2V182 P183 P186 F189 T222 D263 L265 Y269 L270 A271V182-F267 HydrophobicContact CB-CB 3.99Å; V182-F267 HydrophobicContact CB-CD2 3.89Å; V182-F267 HydrophobicContact CB-CG 3.92Å; V182-F267 HydrophobicContact CG1-CB 3.63Å; V182-F267 HydrophobicContact CG1-CD2 4.49Å; V182-F267 HydrophobicContact CG1-CG 4.08Å; V182-F267 HydrophobicContact CG2-CD2 4.31Å; P183-F267 HydrophobicContact CB-CE2 3.97Å; P183-F267 HydrophobicContact CB-CZ 3.71Å; P183-F267 VanDerWaalsContact CD-CZ 3.48Å; P183-F267 HydrophobicContact CG-CE1 3.8Å; P183-F267 HydrophobicContact CG-CE2 4.08Å; P183-F267 HydrophobicContact CG-CZ 3.49Å; P183-F267 VanDerWaalsContact CG-CZ 3.49Å; P186-F267 HydrophobicContact CG-CE2 4.23Å; F189-F267 HydrophobicContact CB-CE1 4.11Å; F189-F267 HydrophobicContact CB-CZ 3.69Å; F189-F267 HydrophobicContact CD1-CE1 4.16Å; F189-F267 HydrophobicContact CD1-CZ 4.41Å; F189-F267 HydrophobicContact CD2-CE1 4.03Å; F189-F267 HydrophobicContact CD2-CZ 4.44Å; F189-F267 AromaticContact CG-CE1 3.81Å; F189-F267 HydrophobicContact CG-CE1 3.81Å; F189-F267 AromaticContact CG-CZ 3.92Å; F189-F267 HydrophobicContact CG-CZ 3.92Å; T222-F267 HydrophobicContact CG2-CD1 3.9Å; T222-F267 HydrophobicContact CG2-CE1 4.3Å; D263-F267 VanDerWaalsContact O-CB 3.26Å; D263-F267 WeakPolarHBondContact O-CB 3.28Å; D263-F267 PolarHBondContact O-N 2.68Å; L265-F267 VanDerWaalsContact C-N 3.32Å; L265-F267 PolarHBondContact O-N 3.22Å; F267-Y269 VanDerWaalsContact C-N 3.32Å; F267-Y269 PolarHBondContact O-N 2.87Å; F267-L270 PolarHBondContact O-N 3.4Å; F267-A271 HydrophobicContact CE1-CB 4.2Å; F267-A271 WeakPolarHBondContact O-CB 3.27Å; F267-A271 PolarHBondContact O-N 3.3Å
268S98.4Very high95.9Very high0 Ų026.7 Ų26.70%013%0.127CC..Hα-helixtrans-61-41.9175.5-54.80000111.2I259 Q264 L265 R266 A271 V272I259-S268 WeakPolarHBondContact CD1-OG 3.44Å; Q264-S268 WeakPolarHBondContact O-CB 3.42Å; Q264-S268 PolarHBondContact O-N 2.73Å; Q264-S268 PolarHBondContact O-OG 2.87Å; L265-S268 WeakPolarHBondContact O-CA 3.28Å; L265-S268 VanDerWaalsContact O-CB 3.3Å; L265-S268 WeakPolarHBondContact O-CB 3.32Å; L265-S268 PolarHBondContact O-N 3.44Å; R266-S268 VanDerWaalsContact C-N 3.3Å; R266-S268 PolarHBondContact O-N 3.49Å; S268-A271 PolarHBondContact O-N 2.86Å; S268-V272 WeakPolarHBondContact O-CB 3.44Å; S268-V272 VanDerWaalsContact O-CG2 3.24Å; S268-V272 WeakPolarHBondContact O-CG2 3.22Å; S268-V272 PolarHBondContact O-N 2.87Å
269Y97.6Very high95.2Very high0 Ų029 Ų290%014%0.139CC..Hα-helixtrans-61.4-48.5173-84.6-111.4000111.7M1 E4 F5 W14 I244 L265 R266 F267 A271 V272 I273M1-Y269 HydrophobicContact CG-CD1 4Å; M1-Y269 HydrophobicContact CG-CE1 4.26Å; E4-Y269 HydrophobicContact CG-CE1 4.28Å; E4-Y269 PolarHBondContact OE1-OH 3.43Å; F5-Y269 HydrophobicContact CB-CD1 4.16Å; F5-Y269 HydrophobicContact CD2-CD1 4.35Å; F5-Y269 HydrophobicContact CD2-CG 4.26Å; W14-Y269 HydrophobicContact CH2-CD1 4.28Å; W14-Y269 AromaticContact CH2-CD2 3.89Å; W14-Y269 HydrophobicContact CH2-CD2 3.89Å; W14-Y269 HydrophobicContact CH2-CE2 4.36Å; W14-Y269 AromaticContact CH2-CG 3.85Å; W14-Y269 HydrophobicContact CH2-CG 3.85Å; W14-Y269 AromaticContact CZ3-CD2 3.96Å; W14-Y269 HydrophobicContact CZ3-CD2 3.96Å; W14-Y269 HydrophobicContact CZ3-CE2 4.16Å; W14-Y269 HydrophobicContact CZ3-CG 4.39Å; I244-Y269 HydrophobicContact CB-CD2 4.37Å; I244-Y269 HydrophobicContact CB-CE1 4.46Å; I244-Y269 HydrophobicContact CB-CE2 3.83Å; I244-Y269 HydrophobicContact CD1-CD1 3.75Å; I244-Y269 HydrophobicContact CD1-CD2 3.79Å; I244-Y269 HydrophobicContact CD1-CE1 4.04Å; I244-Y269 HydrophobicContact CD1-CE2 4.06Å; I244-Y269 HydrophobicContact CD1-CG 3.62Å; I244-Y269 HydrophobicContact CG2-CD2 4.01Å; I244-Y269 HydrophobicContact CG2-CE2 3.64Å; L265-Y269 HydrophobicContact CD1-CD2 4.38Å; L265-Y269 HydrophobicContact CD1-CE2 4.04Å; L265-Y269 HydrophobicContact CG-CD2 4.48Å; L265-Y269 HydrophobicContact CG-CE2 4.3Å; L265-Y269 WeakPolarHBondContact O-CD2 3.49Å; L265-Y269 PolarHBondContact O-N 3.24Å; L265-Y269 VanDerWaalsContact O-N 3.11Å; R266-Y269 WeakPolarHBondContact O-CB 3.43Å; R266-Y269 PolarHBondContact O-N 3.02Å; F267-Y269 VanDerWaalsContact C-N 3.32Å; F267-Y269 PolarHBondContact O-N 2.87Å; Y269-A271 VanDerWaalsContact C-N 3.34Å; Y269-A271 PolarHBondContact O-N 3.42Å; Y269-V272 PolarHBondContact O-N 3.46Å; Y269-I273 WeakPolarHBondContact O-CB 3.39Å; Y269-I273 WeakPolarHBondContact O-CD1 3.23Å; Y269-I273 VanDerWaalsContact O-CG1 3.23Å; Y269-I273 WeakPolarHBondContact O-CG1 3.49Å; Y269-I273 PolarHBondContact O-N 2.81Å
270L96.5Very high94.4Very high49 Ų4935.8 Ų35.826%0.25717%0.169SC..Hα-helixtrans-56.8-46.4178-74.2173.4000112.3F5 P186 R266 F267 I273 E274F5-L270 HydrophobicContact CE1-CD2 3.95Å; F5-L270 HydrophobicContact CE2-CD2 3.76Å; F5-L270 HydrophobicContact CE2-CG 3.72Å; F5-L270 HydrophobicContact CZ-CD1 4.4Å; F5-L270 HydrophobicContact CZ-CD2 3.35Å; F5-L270 HydrophobicContact CZ-CG 3.76Å; P186-L270 HydrophobicContact CG-CB 4Å; R266-L270 PolarHBondContact O-N 3Å; F267-L270 PolarHBondContact O-N 3.4Å; L270-I273 PolarHBondContact O-N 2.98Å; L270-E274 VanDerWaalsContact O-CB 3.31Å; L270-E274 WeakPolarHBondContact O-CB 3.48Å; L270-E274 PolarHBondContact O-N 3.48Å
271A97.2Very high93.4Very high0 Ų035.2 Ų35.20%018%0.18CC..Hα-helixtrans-66.9-39.118000000112.5P186 F189 V226 F267 S268 Y269 G275P186-A271 HydrophobicContact CB-CB 4.49Å; F189-A271 HydrophobicContact CD1-CB 4.01Å; F189-A271 HydrophobicContact CE1-CB 4.16Å; V226-A271 HydrophobicContact CG1-CB 3.99Å; V226-A271 HydrophobicContact CG2-CB 3.94Å; F267-A271 HydrophobicContact CE1-CB 4.2Å; F267-A271 WeakPolarHBondContact O-CB 3.27Å; F267-A271 PolarHBondContact O-N 3.3Å; S268-A271 PolarHBondContact O-N 2.86Å; Y269-A271 VanDerWaalsContact C-N 3.34Å; Y269-A271 PolarHBondContact O-N 3.42Å; A271-G275 PolarHBondContact O-N 3.21Å
272V96.7Very high92.6Very high0 Ų037.4 Ų37.40%019%0.191CC..Hα-helixtrans-68.7-43175.8175.60000111.2M1 V226 C229 L230 M233 I244 S268 Y269 G275 A276M1-V272 HydrophobicContact CE-CG1 3.79Å; M1-V272 HydrophobicContact SD-CB 4.07Å; M1-V272 HydrophobicContact SD-CG1 3.44Å; M1-V272 WeakPolarHBondContact SD-CG1 3.31Å; V226-V272 HydrophobicContact CB-CG2 4.18Å; V226-V272 HydrophobicContact CG1-CG2 3.91Å; V226-V272 HydrophobicContact CG2-CG2 4.11Å; C229-V272 HydrophobicContact CB-CG1 3.95Å; C229-V272 HydrophobicContact CB-CG2 3.69Å; L230-V272 HydrophobicContact CD2-CG1 4.4Å; M233-V272 HydrophobicContact CE-CG1 3.36Å; M233-V272 HydrophobicContact SD-CG1 4.07Å; I244-V272 HydrophobicContact CD1-CB 3.92Å; I244-V272 HydrophobicContact CD1-CG1 4.13Å; I244-V272 HydrophobicContact CD1-CG2 4.07Å; S268-V272 WeakPolarHBondContact O-CB 3.44Å; S268-V272 VanDerWaalsContact O-CG2 3.24Å; S268-V272 WeakPolarHBondContact O-CG2 3.22Å; S268-V272 PolarHBondContact O-N 2.87Å; Y269-V272 PolarHBondContact O-N 3.46Å; V272-G275 PolarHBondContact O-N 3.23Å; V272-A276 VanDerWaalsContact O-CB 3.25Å; V272-A276 WeakPolarHBondContact O-CB 3.35Å; V272-A276 PolarHBondContact O-N 3.28Å
273I94.5Very high91.5Very high23 Ų2341.3 Ų41.312%0.11822%0.215CC..Hα-helixtrans-60.6-47.5177.2-71.1165.4000110.5M1 E2 F5 Y269 L270 A276M1-I273 HydrophobicContact CG-CD1 4.41Å; M1-I273 HydrophobicContact CG-CG1 4.06Å; M1-I273 HydrophobicContact SD-CG1 4Å; E2-I273 HydrophobicContact CG-CB 4.45Å; E2-I273 HydrophobicContact CG-CD1 4.07Å; E2-I273 HydrophobicContact CG-CG1 3.91Å; E2-I273 HydrophobicContact CG-CG2 3.73Å; F5-I273 HydrophobicContact CB-CD1 3.74Å; F5-I273 HydrophobicContact CD1-CD1 4.41Å; F5-I273 HydrophobicContact CD2-CD1 4.28Å; F5-I273 HydrophobicContact CG-CD1 3.88Å; Y269-I273 WeakPolarHBondContact O-CB 3.39Å; Y269-I273 WeakPolarHBondContact O-CD1 3.23Å; Y269-I273 VanDerWaalsContact O-CG1 3.23Å; Y269-I273 WeakPolarHBondContact O-CG1 3.49Å; Y269-I273 PolarHBondContact O-N 2.81Å; L270-I273 PolarHBondContact O-N 2.98Å; I273-A276 PolarHBondContact O-N 3.4Å
274E93.8Very high90.8Very high45 Ų4539.8 Ų39.821%0.2121%0.212CC..Hα-helixtrans-65.2-46.4178.4-175.660.9-161.700111.3P186 L190 L270 A276 K277 W289P186-E274 HydrophobicContact CB-CB 4.34Å; P186-E274 HydrophobicContact CB-CG 4.46Å; L190-E274 HydrophobicContact CD1-CB 3.83Å; L190-E274 HydrophobicContact CD1-CG 3.68Å; L270-E274 VanDerWaalsContact O-CB 3.31Å; L270-E274 WeakPolarHBondContact O-CB 3.48Å; L270-E274 PolarHBondContact O-N 3.48Å; E274-A276 VanDerWaalsContact C-N 3.28Å; E274-A276 PolarHBondContact O-N 2.97Å; E274-K277 WeakPolarHBondContact O-CB 3.3Å; E274-K277 PolarHBondContact O-N 2.87Å; E274-K277 WeakPolarHBondContact OE2-CE 3.37Å; E274-K277 IonicContact OE2-NZ 3.72Å; E274-K277 PolarHBondContact OE2-NZ 2.87Å; E274-W289 HydrophobicContact CG-CZ2 4.05Å; E274-W289 PolarHBondContact OE1-NE1 2.78Å
275G93.6Very high90Very high0 Ų040.6 Ų40.60%022%0.216CC..Hα-helixtrans-64-30177.700000113.8L230 A271 V272 K277 Y278 I279L230-G275 VanDerWaalsContact CD2-C 3.48Å; A271-G275 PolarHBondContact O-N 3.21Å; V272-G275 PolarHBondContact O-N 3.23Å; G275-K277 PolarHBondContact O-N 3.44Å; G275-Y278 WeakPolarHBondContact O-CB 3.41Å; G275-Y278 PolarHBondContact O-N 2.86Å; G275-I279 PolarHBondContact O-N 3.12Å
276A91.6Very high89.1Confident5 Ų542.6 Ų42.64%0.04123%0.226CC..Hα-helixtrans-63.7-27.6177.500000112.6M233 V272 I273 E274 Y278 I279 K280M233-A276 HydrophobicContact CE-CB 4.48Å; M233-A276 HydrophobicContact SD-CB 3.71Å; V272-A276 VanDerWaalsContact O-CB 3.25Å; V272-A276 WeakPolarHBondContact O-CB 3.35Å; V272-A276 PolarHBondContact O-N 3.28Å; I273-A276 PolarHBondContact O-N 3.4Å; E274-A276 VanDerWaalsContact C-N 3.28Å; E274-A276 PolarHBondContact O-N 2.97Å; A276-Y278 VanDerWaalsContact C-N 3.32Å; A276-I279 PolarHBondContact O-N 3.38Å; A276-K280 WeakPolarHBondContact O-CG 3.11Å; A276-K280 PolarHBondContact O-N 3.12Å; A276-K280 VanDerWaalsContact O-N 3.07Å
277K90Very high88.4Confident91 Ų9146.3 Ų46.340%0.39625%0.246SC..Hα-helixtrans-63.5-39.8175.4-60173.1-178.1167.90111.5E274 G275 K280 D282 L285E274-K277 WeakPolarHBondContact O-CB 3.3Å; E274-K277 PolarHBondContact O-N 2.87Å; E274-K277 WeakPolarHBondContact OE2-CE 3.37Å; E274-K277 IonicContact OE2-NZ 3.72Å; E274-K277 PolarHBondContact OE2-NZ 2.87Å; G275-K277 PolarHBondContact O-N 3.44Å; K277-K280 PolarHBondContact O-N 3.28Å; K277-D282 PolarHBondContact O-N 2.83Å; K277-L285 HydrophobicContact CB-CD1 3.3Å; K277-L285 HydrophobicContact CD-CD1 4.4Å
278Y85.6Confident87.8Confident49 Ų4948.2 Ų48.219%0.19226%0.26CS..Hα-helixtrans-65.8-43.8174.5177.1-92.5000111.8F194 G275 A276 K280 G281 Q286 W289F194-Y278 HydrophobicContact CD1-CE1 4.22Å; F194-Y278 AromaticContact CE1-CD1 3.66Å; F194-Y278 HydrophobicContact CE1-CD1 3.66Å; F194-Y278 AromaticContact CE1-CE1 3.31Å; F194-Y278 HydrophobicContact CE1-CE1 3.31Å; F194-Y278 AromaticContact CE1-CZ 3.98Å; F194-Y278 HydrophobicContact CE2-CD1 4.43Å; F194-Y278 AromaticContact CZ-CD1 3.45Å; F194-Y278 HydrophobicContact CZ-CD1 3.45Å; F194-Y278 VanDerWaalsContact CZ-CD1 3.45Å; F194-Y278 AromaticContact CZ-CE1 3.67Å; F194-Y278 HydrophobicContact CZ-CE1 3.67Å; F194-Y278 HydrophobicContact CZ-CG 4.21Å; G275-Y278 WeakPolarHBondContact O-CB 3.41Å; G275-Y278 PolarHBondContact O-N 2.86Å; A276-Y278 VanDerWaalsContact C-N 3.32Å; Y278-K280 PolarHBondContact O-N 3.47Å; Y278-G281 PolarHBondContact O-N 3.24Å; Y278-Q286 HydrophobicContact CD2-CB 4.22Å; Y278-Q286 HydrophobicContact CE2-CB 3.74Å; Y278-Q286 PolarHBondContact OH-OE1 3.23Å; Y278-Q286 VanDerWaalsContact OH-OE1 3.06Å; Y278-W289 VanDerWaalsContact CB-CH2 3.44Å; Y278-W289 HydrophobicContact CD2-CZ3 4.36Å; Y278-W289 HydrophobicContact CG-CH2 4.1Å; Y278-W289 HydrophobicContact CG-CZ3 4.21Å
279I83Confident87.2Confident48 Ų4848.2 Ų48.225%0.24626%0.261CS..Hα-helixtrans-61.5-31177.5-59.8-53.4000112.3L230 S234 G275 A276 G281L230-I279 HydrophobicContact CD2-CG1 4.44Å; S234-I279 WeakPolarHBondContact OG-CD1 3.19Å; S234-I279 WeakPolarHBondContact OG-CG2 3.41Å; G275-I279 PolarHBondContact O-N 3.12Å; A276-I279 PolarHBondContact O-N 3.38Å; I279-G281 PolarHBondContact O-N 3.23Å
280K81.7Confident86.6Confident144 Ų14452.4 Ų52.463%0.62628%0.279SS*.THydrogen-bonded Turntrans-72.60.4175.2-72.8176.5-178.7177.70114.1P239 A276 K277 Y278P239-K280 HydrophobicContact CG-CG 4.3Å; A276-K280 WeakPolarHBondContact O-CG 3.11Å; A276-K280 PolarHBondContact O-N 3.12Å; A276-K280 VanDerWaalsContact O-N 3.07Å; K277-K280 PolarHBondContact O-N 3.28Å; Y278-K280 PolarHBondContact O-N 3.47Å
281G77.3Confident86Confident53 Ų5358.1 Ų58.155%0.54630%0.302SS..THydrogen-bonded Turntrans107.35.6172.700000115.1Y278 I279 T283Y278-G281 PolarHBondContact O-N 3.24Å; I279-G281 PolarHBondContact O-N 3.23Å; G281-T283 VanDerWaalsContact C-N 3.31Å; G281-T283 PolarHBondContact O-N 3.44Å
282D79.6Confident85.4Confident70 Ų7063.2 Ų63.237%0.37433%0.328SS..  trans-82.679.4173-168.9-4.9000110.6K277 S284 L285K277-D282 PolarHBondContact O-N 2.83Å; D282-S284 PolarHBondContact O-N 2.8Å; D282-S284 WeakPolarHBondContact OD1-CB 3.27Å; D282-S284 PolarHBondContact OD1-N 2.83Å; D282-S284 PolarHBondContact OD1-OG 3.41Å; D282-L285 HydrophobicContact CB-CD1 3.77Å; D282-L285 HydrophobicContact CB-CG 4.07Å; D282-L285 WeakPolarHBondContact O-CB 3.47Å; D282-L285 PolarHBondContact O-N 3.26Å; D282-L285 WeakPolarHBondContact OD2-CG 3.43Å
283T75.8Confident84.7Confident103 Ų10363.7 Ų63.763%0.63233%0.331SS*.THydrogen-bonded Turntrans-66.8-19.7179.452.90000112.8G281 L285 Q286G281-T283 VanDerWaalsContact C-N 3.31Å; G281-T283 PolarHBondContact O-N 3.44Å; T283-L285 PolarHBondContact O-N 2.85Å; T283-Q286 PolarHBondContact O-N 3.11Å
284S81.1Confident84.3Confident68 Ų6866.7 Ų66.748%0.47635%0.348SS..Hα-helixtrans-66-20.6177.5800000113D282 Q286 E287 S288D282-S284 PolarHBondContact O-N 2.8Å; D282-S284 WeakPolarHBondContact OD1-CB 3.27Å; D282-S284 PolarHBondContact OD1-N 2.83Å; D282-S284 PolarHBondContact OD1-OG 3.41Å; S284-Q286 VanDerWaalsContact C-N 3.26Å; S284-Q286 PolarHBondContact O-N 2.9Å; S284-E287 PolarHBondContact O-N 3.39Å; S284-S288 PolarHBondContact O-N 2.88Å; S284-S288 VanDerWaalsContact O-N 3.07Å
285L81.2Confident83.9Confident21 Ų2164.8 Ų64.811%0.1134%0.339CS..Hα-helixtrans-65.5-27.9178.3-70.5172000113.3K277 D282 T283 S288 W289K277-L285 HydrophobicContact CB-CD1 3.3Å; K277-L285 HydrophobicContact CD-CD1 4.4Å; D282-L285 HydrophobicContact CB-CD1 3.77Å; D282-L285 HydrophobicContact CB-CG 4.07Å; D282-L285 WeakPolarHBondContact O-CB 3.47Å; D282-L285 PolarHBondContact O-N 3.26Å; D282-L285 WeakPolarHBondContact OD2-CG 3.43Å; T283-L285 PolarHBondContact O-N 2.85Å; L285-S288 CarbonylContact O-C 3.53Å; L285-S288 WeakPolarHBondContact O-CB 3.47Å; L285-S288 PolarHBondContact O-N 3.38Å; L285-W289 HydrophobicContact CB-CH2 4.44Å; L285-W289 HydrophobicContact CB-CZ2 4.04Å; L285-W289 HydrophobicContact CD1-CZ2 4.43Å; L285-W289 WeakPolarHBondContact O-CB 3.31Å; L285-W289 VanDerWaalsContact O-CD2 3.31Å; L285-W289 PolarHBondContact O-N 3.32Å
286Q81Confident83.5Confident42 Ų4270.4 Ų70.420%0.19637%0.365CS..Hα-helixtrans-67.7-44178.7-174.7173.22.900111.5E198 Y278 T283 S284 S288 W289 K290E198-Q286 PolarHBondContact OE1-NE2 3.33Å; Y278-Q286 HydrophobicContact CD2-CB 4.22Å; Y278-Q286 HydrophobicContact CE2-CB 3.74Å; Y278-Q286 PolarHBondContact OH-OE1 3.23Å; Y278-Q286 VanDerWaalsContact OH-OE1 3.06Å; T283-Q286 PolarHBondContact O-N 3.11Å; S284-Q286 VanDerWaalsContact C-N 3.26Å; S284-Q286 PolarHBondContact O-N 2.9Å; Q286-S288 VanDerWaalsContact C-N 3.29Å; Q286-S288 PolarHBondContact O-N 3.06Å; Q286-W289 PolarHBondContact O-N 3.24Å; Q286-K290 WeakPolarHBondContact O-CB 3.35Å; Q286-K290 PolarHBondContact O-N 2.76Å
287E81.6Confident83.3Confident154 Ų15474.7 Ų74.772%0.7239%0.387SS*.Hα-helixtrans-64.3-38.1172.5-64.9-176.8169.600111.2S284 K290 K291S284-E287 PolarHBondContact O-N 3.39Å; E287-K290 PolarHBondContact O-N 3.27Å; E287-K291 WeakPolarHBondContact O-CB 3.27Å; E287-K291 PolarHBondContact O-N 3.09Å
288S85.3Confident82.9Confident47 Ų4777.6 Ų77.633%0.32941%0.407SS..Hα-helixtrans-61.3-48.4174.9-172.60000112.1S284 L285 Q286 K291 L292S284-S288 PolarHBondContact O-N 2.88Å; S284-S288 VanDerWaalsContact O-N 3.07Å; L285-S288 CarbonylContact O-C 3.53Å; L285-S288 WeakPolarHBondContact O-CB 3.47Å; L285-S288 PolarHBondContact O-N 3.38Å; Q286-S288 VanDerWaalsContact C-N 3.29Å; Q286-S288 PolarHBondContact O-N 3.06Å; S288-K291 PolarHBondContact O-N 3.19Å; S288-L292 WeakPolarHBondContact O-CB 3.47Å; S288-L292 VanDerWaalsContact O-CG 3.28Å; S288-L292 WeakPolarHBondContact O-CG 3.31Å; S288-L292 PolarHBondContact O-N 2.94Å
289W87.4Confident82.8Confident1 Ų178.2 Ų78.20%0.00442%0.417CS..Hα-helixtrans-65.3-40.4177.9-63.1-28.3000111.7A187 L190 N191 F194 E274 Y278 L285 Q286 K291 L292 S293A187-W289 HydrophobicContact CB-CB 4.25Å; A187-W289 HydrophobicContact CB-CG 4.23Å; L190-W289 HydrophobicContact CB-CD2 4.17Å; L190-W289 HydrophobicContact CB-CE3 3.99Å; L190-W289 HydrophobicContact CB-CH2 4.46Å; L190-W289 HydrophobicContact CB-CZ3 4.15Å; L190-W289 HydrophobicContact CD1-CD2 4.43Å; L190-W289 HydrophobicContact CD1-CH2 4Å; L190-W289 HydrophobicContact CD1-CZ2 3.7Å; N191-W289 HydrophobicContact CB-CB 4.3Å; F194-W289 HydrophobicContact CD2-CE3 4.37Å; F194-W289 AromaticContact CD2-CZ3 3.77Å; F194-W289 HydrophobicContact CD2-CZ3 3.77Å; F194-W289 HydrophobicContact CE2-CH2 4.1Å; F194-W289 AromaticContact CE2-CZ3 3.53Å; F194-W289 HydrophobicContact CE2-CZ3 3.53Å; F194-W289 HydrophobicContact CZ-CZ3 4.28Å; E274-W289 HydrophobicContact CG-CZ2 4.05Å; E274-W289 PolarHBondContact OE1-NE1 2.78Å; Y278-W289 VanDerWaalsContact CB-CH2 3.44Å; Y278-W289 HydrophobicContact CD2-CZ3 4.36Å; Y278-W289 HydrophobicContact CG-CH2 4.1Å; Y278-W289 HydrophobicContact CG-CZ3 4.21Å; L285-W289 HydrophobicContact CB-CH2 4.44Å; L285-W289 HydrophobicContact CB-CZ2 4.04Å; L285-W289 HydrophobicContact CD1-CZ2 4.43Å; L285-W289 WeakPolarHBondContact O-CB 3.31Å; L285-W289 VanDerWaalsContact O-CD2 3.31Å; L285-W289 PolarHBondContact O-N 3.32Å; Q286-W289 PolarHBondContact O-N 3.24Å; W289-K291 VanDerWaalsContact C-N 3.28Å; W289-K291 PolarHBondContact O-N 3.43Å; W289-L292 PolarHBondContact O-N 3.29Å; W289-S293 WeakPolarHBondContact O-CB 3.4Å; W289-S293 PolarHBondContact O-N 2.95Å; W289-S293 PolarHBondContact O-OG 2.75Å
290K84.1Confident82.6Confident87 Ų8778.7 Ų78.738%0.37842%0.423SS..Hα-helixtrans-54-50172.8-167.8-170-173-164.20110.2Q286 E287 S293 E295 E296Q286-K290 WeakPolarHBondContact O-CB 3.35Å; Q286-K290 PolarHBondContact O-N 2.76Å; E287-K290 PolarHBondContact O-N 3.27Å; K290-S293 PolarHBondContact O-N 2.66Å; K290-S293 PolarHBondContact O-OG 2.87Å; K290-E295 WeakPolarHBondContact CE-OE1 3.34Å; K290-E295 HydrophobicContact CG-CG 4.16Å; K290-E295 IonicContact NZ-OE1 3.83Å; K290-E296 IonicContact NZ-OE1 2.72Å
291K84.1Confident82.3Confident170 Ų17080.1 Ų80.174%0.73943%0.432SS*.Hα-helixtrans-64.2-46.3178.6-171.8179.2-179.7-178.80112.9E287 S288 W289 S293 N294E287-K291 WeakPolarHBondContact O-CB 3.27Å; E287-K291 PolarHBondContact O-N 3.09Å; S288-K291 PolarHBondContact O-N 3.19Å; W289-K291 VanDerWaalsContact C-N 3.28Å; W289-K291 PolarHBondContact O-N 3.43Å; K291-S293 VanDerWaalsContact C-N 3.28Å; K291-S293 PolarHBondContact O-N 3.19Å; K291-N294 PolarHBondContact O-N 3.14Å; K291-N294 PolarHBondContact O-OD1 2.8Å; K291-N294 VanDerWaalsContact O-OD1 3.08Å
292L84.4Confident81.7Confident107 Ų10782.2 Ų82.256%0.5643%0.426SS*.Hα-helixtrans-71.4-22.7-179.1-71.5170.6000113.3A187 S288 W289 N294A187-L292 HydrophobicContact CB-CB 4.08Å; S288-L292 WeakPolarHBondContact O-CB 3.47Å; S288-L292 VanDerWaalsContact O-CG 3.28Å; S288-L292 WeakPolarHBondContact O-CG 3.31Å; S288-L292 PolarHBondContact O-N 2.94Å; W289-L292 PolarHBondContact O-N 3.29Å; L292-N294 VanDerWaalsContact C-N 3.25Å
293S83.2Confident80.4Confident9 Ų984 Ų846%0.06344%0.44CS..THydrogen-bonded Turntrans-77.9-13.5177.7760000113.3Y150 W289 K290 K291 E295Y150-S293 WeakPolarHBondContact CD1-O 3.05Å; Y150-S293 VanDerWaalsContact CE1-CB 3.47Å; Y150-S293 VanDerWaalsContact CE1-O 3.27Å; Y150-S293 WeakPolarHBondContact CE1-O 3.48Å; Y150-S293 WeakPolarHBondContact CE1-OG 3.28Å; Y150-S293 WeakPolarHBondContact OH-CB 3.37Å; Y150-S293 PolarHBondContact OH-OG 2.98Å; W289-S293 WeakPolarHBondContact O-CB 3.4Å; W289-S293 PolarHBondContact O-N 2.95Å; W289-S293 PolarHBondContact O-OG 2.75Å; K290-S293 PolarHBondContact O-N 2.66Å; K290-S293 PolarHBondContact O-OG 2.87Å; K291-S293 VanDerWaalsContact C-N 3.28Å; K291-S293 PolarHBondContact O-N 3.19Å; S293-E295 PolarHBondContact O-N 2.89Å
294N84.7Confident79Confident87 Ų8784.6 Ų84.647%0.46545%0.446SS..THydrogen-bonded Turntrans50.342.8-176-57.3-24.1000112.1S149 K291 L292 E296 D297S149-N294 WeakPolarHBondContact CB-O 3.39Å; S149-N294 PolarHBondContact OG-O 3.37Å; K291-N294 PolarHBondContact O-N 3.14Å; K291-N294 PolarHBondContact O-OD1 2.8Å; K291-N294 VanDerWaalsContact O-OD1 3.08Å; L292-N294 VanDerWaalsContact C-N 3.25Å; N294-E296 PolarHBondContact O-N 3.23Å; N294-D297 HydrophobicContact CB-CB 4.39Å; N294-D297 WeakPolarHBondContact CB-OD2 3.38Å; N294-D297 WeakPolarHBondContact O-CB 3.46Å; N294-D297 PolarHBondContact O-N 2.68Å; N294-D297 VanDerWaalsContact O-N 3.14Å
295E85.1Confident77.7Confident4 Ų486 Ų862%0.01945%0.454CS..THydrogen-bonded Turntrans-64.5-23.6-17271.9171.1-163.200114.3K148 S149 Y150 Y151 N191 K290 S293K148-E295 HydrophobicContact CB-CB 4.47Å; K148-E295 WeakPolarHBondContact CB-O 3.24Å; S149-E295 PolarHBondContact N-O 3.18Å; S149-E295 VanDerWaalsContact OG-CA 3.31Å; S149-E295 WeakPolarHBondContact OG-CA 3.48Å; Y150-E295 HydrophobicContact CD1-CB 4.49Å; Y150-E295 HydrophobicContact CE1-CB 3.6Å; Y151-E295 HydrophobicContact CE1-CB 4.14Å; Y151-E295 WeakPolarHBondContact CE1-OE2 3.33Å; Y151-E295 PolarHBondContact OH-OE2 3.46Å; N191-E295 PolarHBondContact ND2-OE2 3.45Å; K290-E295 WeakPolarHBondContact CE-OE1 3.34Å; K290-E295 HydrophobicContact CG-CG 4.16Å; K290-E295 IonicContact NZ-OE1 3.83Å; S293-E295 PolarHBondContact O-N 2.89Å
296E86.9Confident76.1Confident119 Ų11990.4 Ų90.456%0.55648%0.483SS*.THydrogen-bonded Turntrans-90.40.6-179.8-51.8-64.9173.900113K148 K290 N294K148-E296 IonicContact NZ-OE1 2.64Å; K148-E296 IonicContact NZ-OE2 2.7Å; K148-E296 PolarHBondContact NZ-OE2 3.49Å; K290-E296 IonicContact NZ-OE1 2.72Å; N294-E296 PolarHBondContact O-N 3.23Å
297D87.6Confident74.4Confident95 Ų9594.3 Ų94.351%0.50851%0.512SS..SBendtrans-69.4164172.3-72.97.9000110.8S149 N294S149-D297 VanDerWaalsContact CB-O 3.24Å; S149-D297 WeakPolarHBondContact CB-O 3.38Å; N294-D297 HydrophobicContact CB-CB 4.39Å; N294-D297 WeakPolarHBondContact CB-OD2 3.38Å; N294-D297 WeakPolarHBondContact O-CB 3.46Å; N294-D297 PolarHBondContact O-N 2.68Å; N294-D297 VanDerWaalsContact O-N 3.14Å
298D81.4Confident73Confident151 Ų15194.7 Ų94.781%0.80752%0.518SS*.PPolyproline II helixtrans-63.7136.4175-71.1-46.7000110.9
299P81.7Confident71.6Confident62 Ų6297.6 Ų97.640%0.40354%0.536SS..PPolyproline II helixtrans-63.6141.9175.827.4-34.1000110.5I147 E301I147-P299 HydrophobicContact CG2-CB 4.28Å; I147-P299 HydrophobicContact CG2-CG 4.02Å; P299-E301 PolarHBondContact O-N 3.16Å
300P79.8Confident70.3Confident58 Ų58102.8 Ų102.838%0.37757%0.57SS.*PPolyproline II helixtrans-64.2137.318024.8-31.4000111.1S149 T176 F302S149-P300 WeakPolarHBondContact O-CD 3.48Å; T176-P300 HydrophobicContact CG2-CG 3.83Å; P300-F302 HydrophobicContact CB-CE1 4.22Å; P300-F302 HydrophobicContact CB-CZ 4.17Å; P300-F302 HydrophobicContact CG-CE1 3.92Å; P300-F302 HydrophobicContact CG-CE2 3.74Å; P300-F302 HydrophobicContact CG-CZ 3.4Å; P300-F302 WeakPolarHBondContact O-CD2 3.25Å; P300-F302 PolarHBondContact O-N 3.19Å
301E74.6Confident68.6Low174 Ų174104.7 Ų104.781%0.81359%0.591SS**  trans-68.7112.7174.1-72.9-170.317600110.5P299P299-E301 PolarHBondContact O-N 3.16Å
302F64.6Low66.9Low97 Ų97108.3 Ų108.343%0.42560%0.6SS.*  trans-101.674.3172.7-57.1-60.9000109.8T176 P300T176-F302 HydrophobicContact CG2-CZ 4.07Å; P300-F302 HydrophobicContact CB-CE1 4.22Å; P300-F302 HydrophobicContact CB-CZ 4.17Å; P300-F302 HydrophobicContact CG-CE1 3.92Å; P300-F302 HydrophobicContact CG-CE2 3.74Å; P300-F302 HydrophobicContact CG-CZ 3.4Å; P300-F302 WeakPolarHBondContact O-CD2 3.25Å; P300-F302 PolarHBondContact O-N 3.19Å
303T52.8Low65.1Low107 Ų107110.3 Ų110.366%0.65661%0.611SS**  trans-88.2150.9172.937.70000111.4
304P45.6Very low63.4Low117 Ų117114.7 Ų114.776%0.7664%0.64SS**  cis-114.8159.830.731.1-14000116
305P53.8Low61.5Low98 Ų98118.7 Ų118.764%0.63666%0.655SS**PPolyproline II helixtrans-60.2161.5172.927-35000111.8
306P48.3Very low59.2Low113 Ų113126.4 Ų126.473%0.73470%0.696SS**PPolyproline II helixtrans-56.6140.9169.524.2-31.8000109.6L308P306-L308 PolarHBondContact O-N 3.46Å
307P46.3Very low57.3Low124 Ų124124.2 Ų124.281%0.80571%0.706SS**PPolyproline II helixtrans-57.7129174.122.7-30000108.9
308L51.6Low54.7Low161 Ų161131.5 Ų131.584%0.84373%0.726SS**PPolyproline II helixtrans-53.3136.6171.3-75.3161.1000108.6P306P306-L308 PolarHBondContact O-N 3.46Å
309P55.5Low52.7Low108 Ų108131.2 Ų131.270%0.70173%0.73SS**PPolyproline II helixtrans-54.7139168.222.7-30.9000108.4
310P59.5Low50.3Low110 Ų110136.8 Ų136.871%0.71475%0.751SS**PPolyproline II helixtrans-54.7141.9-17821.3-31.6000109.8R312P310-R312 PolarHBondContact O-N 3.4Å; P310-R312 VanDerWaalsContact O-N 3.12Å
311P49.4Very low48.1Very low127 Ų127139.4 Ų139.483%0.82577%0.768SS**PPolyproline II helixtrans-52.3124.4173.4-21.230.6000108.7D313P311-D313 PolarHBondContact O-N 3.33Å
312R49Very low46Very low247 Ų247136.6 Ų136.693%0.93277%0.766SS**  trans-67.4104.3168.7-75.6-177.1177174.7-0.4106.8P310 P314P310-R312 PolarHBondContact O-N 3.4Å; P310-R312 VanDerWaalsContact O-N 3.12Å; R312-P314 WeakPolarHBondContact O-CD 3.33Å
313D44.8Very low44.4Very low149 Ų149141.3 Ų141.380%0.79779%0.787SS**  trans-61.2124.3171.8-114.7-33.7000109.1P311 H315P311-D313 PolarHBondContact O-N 3.33Å; D313-H315 PolarHBondContact O-N 2.94Å
314P49.3Very low43.5Very low101 Ų101145.1 Ų145.166%0.65679%0.794SS**SBendtrans-78108.8168.130-25.9000107.8R312R312-P314 WeakPolarHBondContact O-CD 3.33Å
315H43.3Very low42.8Very low170 Ų170145.7 Ų145.779%0.78780%0.798SS**  trans92.5105.8170.1-48.8-32.9000117.1D313D313-H315 PolarHBondContact O-N 2.94Å
316N37.3Very low41.7Very low166 Ų166147.9 Ų147.989%0.88880%0.804SS**  -166.4135.5102.6-111.5-24.2000112.2
317G47.1Very low41.1Very low74 Ų74150.1 Ų150.176%0.76381%0.81SS**  trans-67.7132178.800000112.7
318R32Very low40.4Very low247 Ų247150.8 Ų150.893%0.93281%0.811SS**  trans-159.6119.5145.6-116.6177.7-179.8-171.90109.2
319V39.4Very low39.3Very low145 Ų145151.9 Ų151.988%0.87981%0.812SS**  trans-69.8126176.2179.30000109.2
320Q31.6Very low37.9Very low180 Ų180156.8 Ų156.884%0.84182%0.823SS**  trans-137.4149152.3-94.6-168.2-1.800109.1
321P34.1Very low36.5Very low113 Ų113158.1 Ų158.173%0.73483%0.829SS**  trans-84.1137.8-150.74.312.4000112.6F323P321-F323 PolarHBondContact O-N 3.49Å
322C29.9Very low35.5Very low115 Ų115160 Ų16078%0.77783%0.826SS**  trans-62.9120.7170.3-600000110.6
323F31.4Very low34.5Very low196 Ų196154.4 Ų154.486%0.8682%0.823SS**SBendtrans-87.7100.2152.7-99-97.8000105.9P321P321-F323 PolarHBondContact O-N 3.49Å
324F34Very low33.7Very low187 Ų187153.5 Ų153.582%0.8282%0.822SS**SBendtrans163.1141.8147.6-76.6-57.6000107.3
325P32.1Very low32.6Very low128 Ų128157.5 Ų157.583%0.83183%0.832SS**  trans-78.5128.7-170.612.50.3000112
326D30.1Very low31.8Very low145 Ų145155.6 Ų155.678%0.77583%0.832SS**  trans-74.1124.4166.5-72-47000109.7
327D34.5Very low31.2Very low160 Ų160152.7 Ų152.786%0.85683%0.825SS**  trans-162.780.8151.5-90.2-31.9000108.4
328V32.8Very low30.5Very low137 Ų137157.8 Ų157.883%0.8383%0.829SS**  trans-143.8107.4151-168.90000107.9F330V328-F330 PolarHBondContact O-N 3.37Å
329E29Very low30.2Very low185 Ų185154.2 Ų154.286%0.86483%0.828SS**PPolyproline II helixtrans-61.1128.4173.5-72.3-179.2142.800111.1V331E329-V331 PolarHBondContact O-N 3.34Å
330F26.2Very low29.5Very low210 Ų210158.7 Ų158.792%0.92183%0.829SS**PPolyproline II helixtrans-74.3117.3169.6-86-98.2000110.1V328V328-F330 PolarHBondContact O-N 3.37Å
331V30.2Very low29.4Very low138 Ų138155.7 Ų155.784%0.83683%0.827SS**PPolyproline II helixtrans-93.1124.4167179.30000109.3E329E329-V331 PolarHBondContact O-N 3.34Å
332Q27.5Very low29.5Very low166 Ų166156.3 Ų156.378%0.77683%0.832SS**PPolyproline II helixtrans-69.9154.7176.4-74.2-177.6-14.400112.5V334Q332-V334 PolarHBondContact O-N 2.93Å
333P27.2Very low29.3Very low131 Ų131155.1 Ų155.185%0.85183%0.83SS**PPolyproline II helixtrans-77.1125179.531.7-32.8000110.9
334V28.3Very low29.3Very low129 Ų129153.7 Ų153.778%0.78283%0.831SS**  trans-111.3117170.2177.80000108.7Q332Q332-V334 PolarHBondContact O-N 2.93Å
335E26.8Very low29Very low185 Ų185151.3 Ų151.386%0.86483%0.832SS**  trans-68.8129.1159.2-70.1179.9146.800109.2
336T25.6Very low28.8Very low130 Ų130153.5 Ų153.580%0.79883%0.831SS**  -175.6130.6129.112.50000113.6
337S26.4Very low28.9Very low106 Ų106154.5 Ų154.574%0.74184%0.836SS**  45121.2127-173.10000121.2
338Q31.2Very low28.6Very low181 Ų181156.7 Ų156.785%0.84683%0.832SS**  trans-1.3123.8148.6-56.3-172.20.800118.7
339L25.6Very low28.3Very low172 Ų172157.6 Ų157.690%0.90183%0.832SS**  trans-160.1124.9130.4-150.768.4000111.5
340R25.3Very low28.3Very low239 Ų239158.8 Ų158.890%0.90283%0.829SS**  trans-77.7144.3167.5-80.6177.2172175.4-2.8110.4
341S28.4Very low28.4Very low116 Ų116155.9 Ų155.981%0.81182%0.823SS**  -177.2160.812619.60000112.4
342P37.2Very low28.6Very low127 Ų127155.5 Ų155.583%0.82582%0.823SS**  trans-114.1144.6-143.838.7-27.4000114.7
343A26.2Very low28.7Very low89 Ų89152.2 Ų152.274%0.73683%0.825SS**  trans-169.8112.1151.400000108.9
344D30.8Very low28.9Very low166 Ų166150.2 Ų150.289%0.88882%0.819SS**  trans151.468.2146.3-77.3-9.1000109.9
345T26.9Very low29.1Very low137 Ų137150.4 Ų150.484%0.8482%0.823SS**  trans-95.8115.7156.8-45.70000106.1
346E27.8Very low29.3Very low174 Ų174150.8 Ų150.881%0.81383%0.825SS**  trans155143.9134.2-82.2-157.2168.500112.1
347L31.9Very low29.6Very low167 Ų167152.5 Ų152.587%0.87483%0.828SS**SBendtrans87.1105.1-175.5-54.3152.8000112.5
348R30.2Very low30.2Very low205 Ų205152.9 Ų152.977%0.77483%0.828SS**  cis-167.3111.825.5-165.1174.4-170.3170.62.8109.5
349N26.5Very low30.4Very low156 Ų156150.1 Ų150.183%0.83483%0.826SS**  trans-63.6129.7164.7-102.3-18.2000110.6
350R28Very low30.5Very low211 Ų211148.5 Ų148.580%0.79682%0.818SS**  trans-142.6101.6153.8-91.5-171.1171.5175.2-4.3109.7
351N29.2Very low30.6Very low148 Ų148148.6 Ų148.679%0.79182%0.818SS**  trans-66.3137.7161-72.3-14.4000109.7
352P33.9Very low30.6Very low131 Ų131153.6 Ų153.685%0.85182%0.82SS**  trans-90.21121574.114.8000109.2
353A29.6Very low30.3Very low97 Ų97155.5 Ų155.580%0.80282%0.823SS**PPolyproline II helixtrans-73151.6165.600000110.5
354A30.3Very low30.5Very low88 Ų88154.6 Ų154.673%0.72782%0.822SS**PPolyproline II helixtrans-57.2150.2176.400000112.6E356A354-E356 PolarHBondContact O-N 3.13Å
355P34Very low30.7Very low134 Ų134152.8 Ų152.887%0.8782%0.819SS**PPolyproline II helixtrans-74.2118176.6-9.725.6000111.3
356E29.7Very low30.9Very low193 Ų193153.6 Ų153.690%0.90282%0.824SS**PPolyproline II helixtrans-77.8140.2164.3-73.1-176.9154.200110.9A354A354-E356 PolarHBondContact O-N 3.13Å
357L33.3Very low30.8Very low166 Ų166148.8 Ų148.887%0.86982%0.821SS**PPolyproline II helixtrans-74.3146.8174.5-78.6151.9000111.4
358P38.7Very low30.7Very low114 Ų114148.6 Ų148.674%0.7482%0.819SS**PPolyproline II helixtrans-74.6155.9176.425.8-24000112.5
359P34.2Very low30.6Very low123 Ų123148.1 Ų148.180%0.79983%0.826SS**PPolyproline II helixtrans-79.2139.4-161.230.9-34.5000113.7
360D28.8Very low30.5Very low137 Ų137147.6 Ų147.673%0.73382%0.823SS**PPolyproline II helixtrans-71.4118.3173.1-153.613.4000109.9R362D360-R362 PolarHBondContact O-N 3.06Å
361R28Very low30.5Very low242 Ų242145.6 Ų145.691%0.91383%0.827SS**  trans-80.1102.8169.4-81.6-171.7177.5-172.6-0.1108.4
362R27.3Very low30.4Very low221 Ų221144.3 Ų144.383%0.83483%0.825SS**  trans-87.4112.1164.8-67.4-176.6-176.2-168.41.3109.6D360D360-R362 PolarHBondContact O-N 3.06Å
363D31.8Very low30.1Very low167 Ų167144 Ų14489%0.89383%0.825SS**  trans-99.5133.2148.8-84.2-39.6000108.1
364G29.4Very low30Very low70 Ų70142.9 Ų142.972%0.72282%0.824SS**  trans-81.1-178.4-173.500000115.2
365P35.7Very low29.8Very low128 Ų128143.3 Ų143.383%0.83183%0.827SS**  trans-102149.7-153.337.5-31.7000113.9
366V30.6Very low30Very low154 Ų154142.5 Ų142.593%0.93382%0.822SS**  trans-145.7129.1159.7-179.20000110.2
367G26.5Very low29.8Very low73 Ų73145.3 Ų145.375%0.75383%0.825SS**  trans100.197.6137.800000118.2
368I28.6Very low29.6Very low163 Ų163147.1 Ų147.184%0.83683%0.825SS**  trans-61.8136.7156.1-68.2169000109.5
369E27.8Very low29.5Very low194 Ų194147.2 Ų147.291%0.90783%0.826SS**  trans-159.1125.3134.2-111.1174.9-162.300111.4
370D26.2Very low29.2Very low145 Ų145150.8 Ų150.878%0.77583%0.832SS**  trans-52.3147.8167-98.4-42.1000111.7
371L27.4Very low29.2Very low169 Ų169154 Ų15489%0.88584%0.842SS**  trans-164134.8131-102159.6000111.2
372T26.3Very low29.1Very low122 Ų122146.1 Ų146.175%0.74884%0.837SS**  trans-76.7170.2-173.2420000113.7
373S27.9Very low29.2Very low123 Ų123140.8 Ų140.886%0.8684%0.84SS**  trans107.8111.7149.1179.30000118.7
374G26.9Very low28.9Very low75 Ų75137.6 Ų137.677%0.77384%0.837SS**  119.395.4125.400000118
375A28Very low28.9Very low96 Ų96138.6 Ų138.679%0.79384%0.838SS**  trans-109.2173.3150.100000108.5
376P38.1Very low28.6Very low118 Ų118141.1 Ų141.177%0.76684%0.839SS**  cis-129.3165.7-35.131.5-14000111.8
377R25.2Very low28.6Very low252 Ų252140.9 Ų140.995%0.95183%0.832SS**  trans-141.9114.3160.6-76.3-169.4176.8-179.1-1.2112.9
378K28.5Very low28.6Very low203 Ų203141.1 Ų141.188%0.88384%0.835SS**  trans-117.6169.3140.9-97.7-175.4179.7179.90105.4
379P37.5Very low28.6Very low116 Ų116139.2 Ų139.275%0.75383%0.831SS**  cis-136.6174.314.638.5-20.1000114.3
380Q26.6Very low28.7Very low199 Ų199139.4 Ų139.493%0.9383%0.832SS**  trans-154.8130.7147.8-117169.81.400112.5
381Q29.2Very low28.7Very low203 Ų203135.9 Ų135.995%0.94983%0.83SS**  trans-94.1161.9169.7-85.1172.5-33.400110.4
382G26.8Very low28.8Very low78 Ų78132.5 Ų132.580%0.80483%0.826SS**  trans140.8138.9159.400000110.5
383A28.1Very low28.9Very low108 Ų108135.8 Ų135.889%0.89383%0.833SS**  cis-166.2172.9-7.700000106.5
384A26.9Very low28.9Very low101 Ų101141.5 Ų141.584%0.83584%0.836SS**  trans-90.7-175.2-168.800000115.8
385A29.4Very low29.1Very low90 Ų90147.3 Ų147.374%0.74484%0.843SS**  trans92.9138.8167.100000115.6
386E29Very low29.2Very low181 Ų181152.5 Ų152.585%0.84685%0.847SS**  cis-160.3138.118.6-115.6158.6-155.300107.2
387D29.1Very low28.8Very low149 Ų149150.5 Ų150.580%0.79785%0.848SS**  73.8134.296.8-15213.4000116.8
388G27.2Very low28.9Very low79 Ų79145.3 Ų145.381%0.81485%0.845SS**  trans172.687.2-174.300000111.7
389T28.1Very low29.1Very low122 Ų122141.4 Ų141.475%0.74884%0.842SS**  trans-91.1139.2-176.1-55.40000112
390E29.9Very low29.1Very low199 Ų199141.9 Ų141.993%0.9385%0.845SS**  trans-172.4133.4151.6-103.1175.6-165.400105.8
391G27Very low29.6Very low70 Ų70138.8 Ų138.872%0.72284%0.839SS**  cis14413211.200000107.8
392A28.7Very low30.5Very low98 Ų98135.1 Ų135.181%0.8183%0.833SS**  trans76138.8172.900000117.9
393E29.9Very low31.5Very low191 Ų191135 Ų13589%0.89383%0.831SS**  cis-164.4149.2-0.3-117.8168.9179.700107.4
394R27.8Very low32.5Very low244 Ų244134.5 Ų134.592%0.92183%0.828SS**  trans-112.4107.5-177.3-170.2-178.5-167.1177.74.7108.6
395E30.1Very low34.2Very low197 Ų197138.6 Ų138.692%0.92182%0.822SS**  trans-96138.5166.9-82.4-164.9150.200112.1
396K30.5Very low36.4Very low204 Ų204137.1 Ų137.189%0.88781%0.806SS**  trans-83.1135.3-175.7-80.2171.4170.9173.80111.1
397G28.5Very low38Very low76 Ų76133.2 Ų133.278%0.78480%0.796SS**  trans37.9116.5135.300000120.7
398T27.6Very low39.7Very low144 Ų144132.7 Ų132.788%0.88379%0.792SS**  trans-138.9128.3145.4-16.80000109.5
399C33.4Very low41.8Very low121 Ų121131.6 Ų131.682%0.81877%0.77SS**PPolyproline II helixtrans-66.2148.1170.5-73.20000111.5
400P36.3Very low43.9Very low125 Ų125128.2 Ų128.281%0.81276%0.755SS**PPolyproline II helixtrans-98.7127.7158.224.1-9.5000111.5
401V38.5Very low46Very low134 Ų134125.4 Ų125.481%0.81274%0.741SS**PPolyproline II helixtrans-62.6146.9166.91730000109.6
402P47Very low48.5Very low127 Ų127126.3 Ų126.383%0.82573%0.732SS**SBendtrans-82.5134.2-172.232.5-32.6000111.8
403G47.6Very low50.7Low74 Ų74124.5 Ų124.576%0.76371%0.713SS**  trans134.694159.700000115.9
404A50.6Low53.1Low99 Ų99120.6 Ų120.682%0.81870%0.698SS**  trans-161109.1141.600000107.4
405W62.4Low55.6Low187 Ų187110.9 Ų110.971%0.70867%0.674SS**  trans-69.2138.8173.6-73.651.7000108.2T409W405-T409 HydrophobicContact CE3-CG2 3.43Å; W405-T409 VanDerWaalsContact CE3-CG2 3.43Å; W405-T409 HydrophobicContact CZ3-CG2 3.66Å
406S74.6Confident58.2Low59 Ų59105.1 Ų105.141%0.41365%0.652SS.*  trans-60.6148.6176.385.20000109.8L408 T409 A410S406-L408 PolarHBondContact O-N 3.33Å; S406-L408 VanDerWaalsContact O-N 3.09Å; S406-T409 PolarHBondContact O-N 2.94Å; S406-T409 PolarHBondContact OG-N 3.46Å; S406-T409 PolarHBondContact OG-OG1 2.84Å; S406-A410 PolarHBondContact O-N 3.41Å; S406-A410 VanDerWaalsContact O-N 3.15Å
407P63.3Low60.9Low99 Ų9997.7 Ų97.764%0.64363%0.629SS**Hα-helixtrans-53.9-34.4180-24.632.3000112.4A410 H411P407-A410 PolarHBondContact O-N 3.42Å; P407-H411 PolarHBondContact O-CD2 3.06Å; P407-H411 PolarHBondContact O-N 3.2Å
408L64.4Low63.8Low137 Ų13799.5 Ų99.572%0.71762%0.62SS**Hα-helixtrans-64.1-42.4177.7-132.8102.1000111.9S406 H411 V412S406-L408 PolarHBondContact O-N 3.33Å; S406-L408 VanDerWaalsContact O-N 3.09Å; L408-H411 PolarHBondContact O-N 2.7Å; L408-V412 WeakPolarHBondContact O-CG2 3.47Å; L408-V412 PolarHBondContact O-N 2.64Å
409T71.1Confident66.6Low57 Ų5795.6 Ų95.635%0.3560%0.602SS.*Hα-helixtrans-68.4-37.9-179.8-29.70000110.9W405 S406 V412 C413W405-T409 HydrophobicContact CE3-CG2 3.43Å; W405-T409 VanDerWaalsContact CE3-CG2 3.43Å; W405-T409 HydrophobicContact CZ3-CG2 3.66Å; S406-T409 PolarHBondContact O-N 2.94Å; S406-T409 PolarHBondContact OG-N 3.46Å; S406-T409 PolarHBondContact OG-OG1 2.84Å; T409-V412 PolarHBondContact O-N 3.44Å; T409-C413 WeakPolarHBondContact O-CB 3.34Å; T409-C413 PolarHBondContact O-N 3.3Å; T409-C413 PolarHBondContact O-SG 3.17Å
410A72Confident69.2Low51 Ų5195.3 Ų95.342%0.42159%0.592SS.*Hα-helixtrans-64.3-41.4174.300000112.3S406 P407 C413 L414S406-A410 PolarHBondContact O-N 3.41Å; S406-A410 VanDerWaalsContact O-N 3.15Å; P407-A410 PolarHBondContact O-N 3.42Å; A410-C413 PolarHBondContact O-N 3.29Å; A410-L414 WeakPolarHBondContact O-CB 3.25Å; A410-L414 PolarHBondContact O-N 3.39Å
411H74.3Confident71.6Confident139 Ų13992.6 Ų92.664%0.64458%0.576SS**Hα-helixtrans-66.7-38.5176.9-75.1-56.5000113P407 L408 L414 G415P407-H411 PolarHBondContact O-CD2 3.06Å; P407-H411 PolarHBondContact O-N 3.2Å; L408-H411 PolarHBondContact O-N 2.7Å; H411-L414 PolarHBondContact O-N 3.21Å; H411-G415 PolarHBondContact O-N 3.08Å
412V78.8Confident73.8Confident89 Ų8989.2 Ų89.254%0.53956%0.562SS.*Hα-helixtrans-65.9-43.4175.9172.50000111L408 T409 L414 G415 T416L408-V412 WeakPolarHBondContact O-CG2 3.47Å; L408-V412 PolarHBondContact O-N 2.64Å; T409-V412 PolarHBondContact O-N 3.44Å; V412-L414 PolarHBondContact O-N 3.35Å; V412-G415 PolarHBondContact O-N 3.07Å; V412-T416 PolarHBondContact O-N 2.98Å; V412-T416 PolarHBondContact O-OG1 2.81Å
413C75.8Confident75.7Confident60 Ų6089.4 Ų89.441%0.40555%0.547SS..Hα-helixtrans-65.1-36.5176.4-70.30000113T409 A410 T416 A417T409-C413 WeakPolarHBondContact O-CB 3.34Å; T409-C413 PolarHBondContact O-N 3.3Å; T409-C413 PolarHBondContact O-SG 3.17Å; A410-C413 PolarHBondContact O-N 3.29Å; C413-T416 WeakPolarHBondContact CA-OG1 3.39Å; C413-T416 PolarHBondContact O-OG1 3.32Å; C413-A417 WeakPolarHBondContact O-CB 3.34Å; C413-A417 PolarHBondContact O-N 2.66Å; C413-A417 VanDerWaalsContact O-N 3.11Å
414L80.7Confident77.6Confident109 Ų10990 Ų9057%0.57154%0.536SS*.Hα-helixtrans-68.9-39.6175.9-168.867.7000111.4A410 H411 V412 A417 L418A410-L414 WeakPolarHBondContact O-CB 3.25Å; A410-L414 PolarHBondContact O-N 3.39Å; H411-L414 PolarHBondContact O-N 3.21Å; V412-L414 PolarHBondContact O-N 3.35Å; L414-A417 PolarHBondContact O-N 3.44Å; L414-L418 HydrophobicContact CG-CD1 4.38Å; L414-L418 WeakPolarHBondContact O-CG 3.46Å; L414-L418 PolarHBondContact O-N 3.45Å; L414-L418 VanDerWaalsContact O-N 3.07Å
415G80.8Confident79.2Confident40 Ų4089 Ų8941%0.41252%0.522SS..Hα-helixtrans-63.2-42176.200000113H411 V412 L418 A419H411-G415 PolarHBondContact O-N 3.08Å; V412-G415 PolarHBondContact O-N 3.07Å; G415-L418 PolarHBondContact O-N 3.2Å; G415-A419 WeakPolarHBondContact O-CB 3.47Å; G415-A419 PolarHBondContact O-N 3Å
416T84.9Confident80.3Confident76 Ų7686.4 Ų86.447%0.46651%0.513SS..Hα-helixtrans-69.7-37.9177.749.70000112.4V412 C413 A419 L420V412-T416 PolarHBondContact O-N 2.98Å; V412-T416 PolarHBondContact O-OG1 2.81Å; C413-T416 WeakPolarHBondContact CA-OG1 3.39Å; C413-T416 PolarHBondContact O-OG1 3.32Å; T416-A419 PolarHBondContact O-N 3.46Å; T416-L420 WeakPolarHBondContact O-CB 2.73Å; T416-L420 WeakPolarHBondContact O-CG 3.47Å; T416-L420 PolarHBondContact O-N 3.11Å
417A87.1Confident80.7Confident49 Ų4989.5 Ų89.541%0.40552%0.516SS..Hα-helixtrans-63.9-40.3175.200000112.5C413 L414 S421C413-A417 WeakPolarHBondContact O-CB 3.34Å; C413-A417 PolarHBondContact O-N 2.66Å; C413-A417 VanDerWaalsContact O-N 3.11Å; L414-A417 PolarHBondContact O-N 3.44Å; A417-S421 WeakPolarHBondContact O-CB 3.49Å; A417-S421 PolarHBondContact O-N 2.92Å; A417-S421 PolarHBondContact O-OG 3.25Å
418L88.9Confident81.7Confident114 Ų11489.8 Ų89.860%0.59752%0.516SS*.Hα-helixtrans-67.5-41.2176.3-73.6170.4000112.2L414 G415 S421 A422L414-L418 HydrophobicContact CG-CD1 4.38Å; L414-L418 WeakPolarHBondContact O-CG 3.46Å; L414-L418 PolarHBondContact O-N 3.45Å; L414-L418 VanDerWaalsContact O-N 3.07Å; G415-L418 PolarHBondContact O-N 3.2Å; L418-S421 PolarHBondContact O-N 3.36Å; L418-A422 WeakPolarHBondContact O-CB 3.4Å; L418-A422 PolarHBondContact O-N 3.34Å
419A86.7Confident82.1Confident62 Ų6292.5 Ų92.551%0.51252%0.518SS..Hα-helixtrans-64.8-41.4177.600000112.3G415 T416 A422 Y423G415-A419 WeakPolarHBondContact O-CB 3.47Å; G415-A419 PolarHBondContact O-N 3Å; T416-A419 PolarHBondContact O-N 3.46Å; A419-A422 PolarHBondContact O-N 3.21Å; A419-Y423 WeakPolarHBondContact O-CB 3.38Å; A419-Y423 PolarHBondContact O-N 3.07Å
420L87.9Confident82Confident114 Ų11496.8 Ų96.860%0.59753%0.532SS*.Hα-helixtrans-65.4-41175-78.5165.2000111.8T416 Y423 V424T416-L420 WeakPolarHBondContact O-CB 2.73Å; T416-L420 WeakPolarHBondContact O-CG 3.47Å; T416-L420 PolarHBondContact O-N 3.11Å; L420-Y423 PolarHBondContact O-N 3.06Å; L420-V424 VanDerWaalsContact O-CG2 3.32Å; L420-V424 WeakPolarHBondContact O-CG2 3.48Å; L420-V424 PolarHBondContact O-N 3.24Å
421S85.4Confident81.2Confident68 Ų68103.3 Ų103.348%0.47655%0.553SS.*Hα-helixtrans-64.1-43.9177.4-57.20000111.4A417 L418 Y423 V424 C425A417-S421 WeakPolarHBondContact O-CB 3.49Å; A417-S421 PolarHBondContact O-N 2.92Å; A417-S421 PolarHBondContact O-OG 3.25Å; L418-S421 PolarHBondContact O-N 3.36Å; S421-Y423 VanDerWaalsContact C-N 3.34Å; S421-Y423 PolarHBondContact O-N 3.31Å; S421-V424 PolarHBondContact O-N 3.42Å; S421-C425 PolarHBondContact O-N 3.22Å; S421-C425 PolarHBondContact O-SG 2.98Å; S421-C425 VanDerWaalsContact O-SG 3.35Å
422A85.7Confident81.5Confident63 Ų63101.5 Ų101.552%0.52155%0.548SS..Hα-helixtrans-63.2-39.4175.500000112.3L418 A419 C425 Y426L418-A422 WeakPolarHBondContact O-CB 3.4Å; L418-A422 PolarHBondContact O-N 3.34Å; A419-A422 PolarHBondContact O-N 3.21Å; A422-C425 PolarHBondContact O-N 3.49Å; A422-Y426 WeakPolarHBondContact O-CB 3.28Å; A422-Y426 PolarHBondContact O-N 3.48Å
423Y86.9Confident81.7Confident132 Ų132102.2 Ų102.252%0.51855%0.549SS..Hα-helixtrans-65.2-41.8176.2179.4-100.2000112.4A419 L420 S421 Y426 R427A419-Y423 WeakPolarHBondContact O-CB 3.38Å; A419-Y423 PolarHBondContact O-N 3.07Å; L420-Y423 PolarHBondContact O-N 3.06Å; S421-Y423 VanDerWaalsContact C-N 3.34Å; S421-Y423 PolarHBondContact O-N 3.31Å; Y423-Y426 PolarHBondContact O-N 3.33Å; Y423-R427 HydrophobicContact CD1-CG 4.42Å; Y423-R427 HydrophobicContact CE1-CG 3.99Å; Y423-R427 HydrophobicContact CE2-CG 4.34Å; Y423-R427 WeakPolarHBondContact O-CB 3.37Å; Y423-R427 WeakPolarHBondContact O-CG 3.43Å; Y423-R427 PolarHBondContact O-N 2.77Å; Y423-R427 PolarHBondContact OH-NE 3.29Å
424V88.4Confident82Confident86 Ų86104.5 Ų104.552%0.52156%0.557SS.*Hα-helixtrans-65.7-44.2175.8172.60000110.8L420 S421 Y426 R427 V428L420-V424 VanDerWaalsContact O-CG2 3.32Å; L420-V424 WeakPolarHBondContact O-CG2 3.48Å; L420-V424 PolarHBondContact O-N 3.24Å; S421-V424 PolarHBondContact O-N 3.42Å; V424-Y426 VanDerWaalsContact C-N 3.34Å; V424-Y426 PolarHBondContact O-N 3.37Å; V424-R427 PolarHBondContact O-N 2.79Å; V424-V428 WeakPolarHBondContact O-CG2 3.44Å; V424-V428 PolarHBondContact O-N 3.3Å
425C83Confident82.1Confident79 Ų79104.2 Ų104.253%0.53456%0.556SS.*Hα-helixtrans-61.4-41175.4-71.40000112.5S421 A422 V428 Y429S421-C425 PolarHBondContact O-N 3.22Å; S421-C425 PolarHBondContact O-SG 2.98Å; S421-C425 VanDerWaalsContact O-SG 3.35Å; A422-C425 PolarHBondContact O-N 3.49Å; C425-V428 PolarHBondContact O-N 3.07Å; C425-Y429 PolarHBondContact O-N 2.58Å; C425-Y429 VanDerWaalsContact O-N 3.16Å
426Y85.8Confident82.2Confident132 Ų132108.3 Ų108.352%0.51857%0.565SS.*Hα-helixtrans-61.4-44.1174.7177-96.9000111.8A422 Y423 V424 V428 Y429 F430A422-Y426 WeakPolarHBondContact O-CB 3.28Å; A422-Y426 PolarHBondContact O-N 3.48Å; Y423-Y426 PolarHBondContact O-N 3.33Å; V424-Y426 VanDerWaalsContact C-N 3.34Å; V424-Y426 PolarHBondContact O-N 3.37Å; Y426-V428 VanDerWaalsContact C-N 3.32Å; Y426-V428 PolarHBondContact O-N 3.31Å; Y426-Y429 PolarHBondContact O-N 3.31Å; Y426-F430 AromaticContact CD2-CD2 3.59Å; Y426-F430 HydrophobicContact CD2-CD2 3.59Å; Y426-F430 HydrophobicContact CD2-CE2 4.05Å; Y426-F430 HydrophobicContact CD2-CG 4.4Å; Y426-F430 HydrophobicContact CE2-CB 4.39Å; Y426-F430 AromaticContact CE2-CD2 3.69Å; Y426-F430 HydrophobicContact CE2-CD2 3.69Å; Y426-F430 HydrophobicContact CE2-CE2 4.2Å; Y426-F430 HydrophobicContact CE2-CG 4.11Å; Y426-F430 HydrophobicContact CG-CD2 4.33Å; Y426-F430 PolarHBondContact O-N 2.99Å; Y426-F430 VanDerWaalsContact O-N 3.08Å
427R82.8Confident82Confident124 Ų124110.4 Ų110.447%0.46857%0.572SS.*Hα-helixtrans-65.6-30.7178.7-78.2-82.9-108.3173-2.1113.5Y423 V424 H431Y423-R427 HydrophobicContact CD1-CG 4.42Å; Y423-R427 HydrophobicContact CE1-CG 3.99Å; Y423-R427 HydrophobicContact CE2-CG 4.34Å; Y423-R427 WeakPolarHBondContact O-CB 3.37Å; Y423-R427 WeakPolarHBondContact O-CG 3.43Å; Y423-R427 PolarHBondContact O-N 2.77Å; Y423-R427 PolarHBondContact OH-NE 3.29Å; V424-R427 PolarHBondContact O-N 2.79Å; R427-H431 WeakPolarHBondContact O-CB 3.46Å; R427-H431 PolarHBondContact O-N 3.06Å
428V84.6Confident81.6Confident105 Ų105114.8 Ų114.864%0.63658%0.583SS**Hα-helixtrans-80.3-26.5178.1171.80000112.5V424 C425 Y426V424-V428 WeakPolarHBondContact O-CG2 3.44Å; V424-V428 PolarHBondContact O-N 3.3Å; C425-V428 PolarHBondContact O-N 3.07Å; Y426-V428 VanDerWaalsContact C-N 3.32Å; Y426-V428 PolarHBondContact O-N 3.31Å
429Y71.8Confident81.1Confident194 Ų194114.8 Ų114.876%0.76158%0.582SS**Hα-helixtrans-93-25.1-177.6-97.4-85.1000114.4C425 Y426C425-Y429 PolarHBondContact O-N 2.58Å; C425-Y429 VanDerWaalsContact O-N 3.16Å; Y426-Y429 PolarHBondContact O-N 3.31Å
430F68.9Low80.6Confident147 Ų147119.3 Ų119.365%0.64559%0.588SS**Hα-helixtrans-119.73-172.1-68-80.9000114.5Y426Y426-F430 AromaticContact CD2-CD2 3.59Å; Y426-F430 HydrophobicContact CD2-CD2 3.59Å; Y426-F430 HydrophobicContact CD2-CE2 4.05Å; Y426-F430 HydrophobicContact CD2-CG 4.4Å; Y426-F430 HydrophobicContact CE2-CB 4.39Å; Y426-F430 AromaticContact CE2-CD2 3.69Å; Y426-F430 HydrophobicContact CE2-CD2 3.69Å; Y426-F430 HydrophobicContact CE2-CE2 4.2Å; Y426-F430 HydrophobicContact CE2-CG 4.11Å; Y426-F430 HydrophobicContact CG-CD2 4.33Å; Y426-F430 PolarHBondContact O-N 2.99Å; Y426-F430 VanDerWaalsContact O-N 3.08Å
431H55.9Low79.9Confident187 Ų187119.7 Ų119.787%0.86659%0.587SS**  trans-140.90171.9-92.1-69.5000109.2R427R427-H431 WeakPolarHBondContact O-CB 3.46Å; R427-H431 PolarHBondContact O-N 3.06Å

Retrieved 431 of 431 residues in 409.3 ms (Link to these results)

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