A0A077ZLG9_TRITR Loading...

EcKinase and DUF1679 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 441 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
1M42.5Very low60.7Low223 Ų22368.5 Ų68.5100%1.09937%0.374SS*.  0650-70.5176.5-17400109
2N49.5Very low62.6Low104 Ų10464.8 Ų64.856%0.55636%0.357SS*.  trans-87.6-20.3-172-734.6000113.4
3S51.4Low64.3Low74 Ų7468.8 Ų68.852%0.51737%0.368SS..SBendtrans-85.4139.7173.8710000110.7G5S3-G5 PolarHBondContact O-N 2.74Å; S3-G5 VanDerWaalsContact O-N 3.15Å
4L58.4Low66Low18 Ų1865.4 Ų65.49%0.09435%0.35CS..  trans-61.5-15.9167.1-74.3161.8000111.9Y6 L7 E8 L11 Y48 L50 L71L4-Y6 PolarHBondContact O-N 2.93Å; L4-L7 HydrophobicContact CB-CB 4.43Å; L4-L7 HydrophobicContact CD2-CD1 4.35Å; L4-L7 VanDerWaalsContact O-CB 3.3Å; L4-L7 WeakPolarHBondContact O-CB 3.49Å; L4-L7 PolarHBondContact O-N 2.92Å; L4-E8 HydrophobicContact CB-CG 3.6Å; L4-L11 HydrophobicContact CD1-CD2 3.66Å; L4-Y48 HydrophobicContact CD1-CD1 3.99Å; L4-Y48 HydrophobicContact CD1-CE1 4.34Å; L4-Y48 HydrophobicContact CD1-CG 4.12Å; L4-Y48 HydrophobicContact CD2-CD1 4.38Å; L4-Y48 HydrophobicContact CD2-CD2 4.36Å; L4-Y48 HydrophobicContact CD2-CE1 4Å; L4-Y48 HydrophobicContact CD2-CE2 3.97Å; L4-Y48 HydrophobicContact CG-CD1 4Å; L4-Y48 HydrophobicContact CG-CE1 3.83Å; L4-Y48 HydrophobicContact CG-CG 4.45Å; L4-L50 HydrophobicContact CD1-CD2 3.77Å; L4-L71 HydrophobicContact CD1-CD2 4.27Å
5G61Low67.6Low32 Ų3261.1 Ų61.133%0.3333%0.327SS..THydrogen-bonded Turntrans55.6-12316800000111.4S3 L7 E8S3-G5 PolarHBondContact O-N 2.74Å; S3-G5 VanDerWaalsContact O-N 3.15Å; G5-L7 PolarHBondContact O-N 2.65Å; G5-L7 VanDerWaalsContact O-N 3.15Å; G5-E8 VanDerWaalsContact O-CB 3.3Å; G5-E8 WeakPolarHBondContact O-CB 2.9Å; G5-E8 WeakPolarHBondContact O-CG 3.06Å; G5-E8 PolarHBondContact O-N 2.79Å
6Y54.6Low69.1Low96 Ų9660.5 Ų60.538%0.37632%0.322SS..THydrogen-bonded Turntrans-58.7-28.5-179.4-173.2-85.3000113.9L4 E8 S9 H10 R161 L164L4-Y6 PolarHBondContact O-N 2.93Å; Y6-E8 PolarHBondContact O-N 3.03Å; Y6-S9 PolarHBondContact O-OG 3.47Å; Y6-H10 AromaticContact CE1-CE1 3.55Å; Y6-H10 AromaticContact CE1-ND1 3.77Å; Y6-H10 AromaticContact CZ-CE1 3.96Å; Y6-R161 WeakPolarHBondContact OH-CD 3.36Å; Y6-R161 PolarHBondContact OH-NE 3.47Å; Y6-R161 PolarHBondContact OH-NH1 3.26Å; Y6-R161 VanDerWaalsContact OH-NH1 3.13Å; Y6-R161 PolarHBondContact OH-NH2 3.5Å; Y6-L164 HydrophobicContact CD1-CD2 3.36Å; Y6-L164 HydrophobicContact CE1-CB 4.48Å; Y6-L164 HydrophobicContact CE1-CD2 2.98Å; Y6-L164 HydrophobicContact CE1-CG 4.3Å; Y6-L164 HydrophobicContact CE2-CD2 4.36Å; Y6-L164 HydrophobicContact CG-CD2 4.22Å
7L62.4Low70.4Confident56 Ų5660.5 Ų60.529%0.29333%0.325SS..Hα-helixtrans-67.4-23.1179.2-56.7169.9000111.9L4 G5 S9 H10 L11 L168L4-L7 HydrophobicContact CB-CB 4.43Å; L4-L7 HydrophobicContact CD2-CD1 4.35Å; L4-L7 VanDerWaalsContact O-CB 3.3Å; L4-L7 WeakPolarHBondContact O-CB 3.49Å; L4-L7 PolarHBondContact O-N 2.92Å; G5-L7 PolarHBondContact O-N 2.65Å; G5-L7 VanDerWaalsContact O-N 3.15Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.75Å; L7-H10 PolarHBondContact O-N 2.89Å; L7-L11 VanDerWaalsContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CB 3.26Å; L7-L11 PolarHBondContact O-N 3.38Å; L7-L168 HydrophobicContact CD2-CD1 3.87Å; L7-L168 HydrophobicContact CD2-CD2 3.65Å; L7-L168 HydrophobicContact CD2-CG 3.57Å
8E68.8Low71.5Confident45 Ų4557.4 Ų57.421%0.2131%0.308CS..Hα-helixtrans-57-43.3-177.2-69.4178.7177.500111.7L4 G5 Y6 H10 L11 C12 H33L4-E8 HydrophobicContact CB-CG 3.6Å; G5-E8 VanDerWaalsContact O-CB 3.3Å; G5-E8 WeakPolarHBondContact O-CB 2.9Å; G5-E8 WeakPolarHBondContact O-CG 3.06Å; G5-E8 PolarHBondContact O-N 2.79Å; Y6-E8 PolarHBondContact O-N 3.03Å; E8-H10 PolarHBondContact O-N 3.39Å; E8-L11 PolarHBondContact O-N 2.89Å; E8-C12 WeakPolarHBondContact O-CB 3.15Å; E8-C12 PolarHBondContact O-N 3.06Å; E8-C12 PolarHBondContact O-SG 3.33Å; E8-H33 IonicContact OE1-ND1 3.84Å
9S68.3Low72.6Confident62 Ų6254.4 Ų54.443%0.43429%0.292SS..Hα-helixtrans-63.8-37.7-179.163.10000114Y6 L7Y6-S9 PolarHBondContact O-OG 3.47Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.75Å
10H72Confident73.6Confident32 Ų3252.4 Ų52.415%0.14828%0.281CS..Hα-helixtrans-78.9-39178.8-7080.5000110.8Y6 L7 E8 C12 K13 L14 L168Y6-H10 AromaticContact CE1-CE1 3.55Å; Y6-H10 AromaticContact CE1-ND1 3.77Å; Y6-H10 AromaticContact CZ-CE1 3.96Å; L7-H10 PolarHBondContact O-N 2.89Å; E8-H10 PolarHBondContact O-N 3.39Å; H10-C12 VanDerWaalsContact C-N 3.34Å; H10-K13 PolarHBondContact O-N 2.91Å; H10-L14 PolarHBondContact O-N 3.22Å; H10-L14 VanDerWaalsContact O-N 3.09Å; H10-L168 HydrophobicContact CB-CD1 3.57Å
11L78.5Confident74.3Confident11 Ų1156.2 Ų56.26%0.05829%0.292CS..Hα-helixtrans-62-41173.5-177.264.3000111.2L4 L7 E8 K13 L14 V15 L50 L71L4-L11 HydrophobicContact CD1-CD2 3.66Å; L7-L11 VanDerWaalsContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CB 3.26Å; L7-L11 PolarHBondContact O-N 3.38Å; E8-L11 PolarHBondContact O-N 2.89Å; L11-K13 VanDerWaalsContact C-N 3.29Å; L11-K13 PolarHBondContact O-N 2.92Å; L11-L14 PolarHBondContact O-N 3.5Å; L11-V15 HydrophobicContact CD1-CG2 4.02Å; L11-V15 HydrophobicContact CG-CG2 4.13Å; L11-V15 WeakPolarHBondContact O-CB 3.49Å; L11-V15 VanDerWaalsContact O-CG2 3.22Å; L11-V15 WeakPolarHBondContact O-CG2 3.43Å; L11-V15 PolarHBondContact O-N 2.73Å; L11-L50 HydrophobicContact CD1-CD1 4.31Å; L11-L50 HydrophobicContact CD2-CD1 3.73Å; L11-L50 HydrophobicContact CD2-CD2 3.9Å; L11-L50 HydrophobicContact CD2-CG 4.5Å; L11-L50 HydrophobicContact CG-CD1 4.12Å; L11-L71 HydrophobicContact CD1-CD2 4Å; L11-L71 HydrophobicContact CD2-CD2 3.63Å; L11-L71 HydrophobicContact CG-CD2 4.48Å
12C83.9Confident76.5Confident25 Ų2550.6 Ų50.617%0.16926%0.261CS..Hα-helixtrans-51.4-49.7173.7-73.70000111E8 H10 V15 E16 L29 C32E8-C12 WeakPolarHBondContact O-CB 3.15Å; E8-C12 PolarHBondContact O-N 3.06Å; E8-C12 PolarHBondContact O-SG 3.33Å; H10-C12 VanDerWaalsContact C-N 3.34Å; C12-V15 PolarHBondContact O-N 3.33Å; C12-E16 VanDerWaalsContact O-CB 3.27Å; C12-E16 WeakPolarHBondContact O-CB 3.4Å; C12-E16 PolarHBondContact O-N 2.98Å; C12-L29 HydrophobicContact CB-CD2 4.28Å; C12-L29 WeakPolarHBondContact O-CD2 3.31Å; C12-C32 HydrophobicContact CB-CB 4.33Å; C12-C32 WeakPolarHBondContact SG-CB 3.31Å
13K85.1Confident78.4Confident116 Ų11648.6 Ų48.650%0.50425%0.247SC..Hα-helixtrans-67.3-40.3-178.2-69.1-175.4-179.3-176.60112.5H10 L11 T17 L158H10-K13 PolarHBondContact O-N 2.91Å; L11-K13 VanDerWaalsContact C-N 3.29Å; L11-K13 PolarHBondContact O-N 2.92Å; K13-T17 WeakPolarHBondContact O-CB 3.5Å; K13-T17 PolarHBondContact O-N 2.98Å; K13-T17 PolarHBondContact O-OG1 3.32Å; K13-L158 HydrophobicContact CD-CD2 3.73Å
14L87.2Confident80.2Confident22 Ų2248.5 Ų48.512%0.11526%0.258CS..Hα-helixtrans-61.5-49.6174.6176.765.6000110.6H10 L11 T17 E18 Y134 L173H10-L14 PolarHBondContact O-N 3.22Å; H10-L14 VanDerWaalsContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 3.5Å; L14-T17 PolarHBondContact O-N 2.75Å; L14-E18 HydrophobicContact CD1-CG 3.95Å; L14-E18 WeakPolarHBondContact O-CG 3.49Å; L14-E18 PolarHBondContact O-N 2.89Å; L14-Y134 HydrophobicContact CD1-CD2 4.42Å; L14-Y134 HydrophobicContact CD1-CE1 4.25Å; L14-Y134 HydrophobicContact CD1-CE2 4.09Å; L14-Y134 HydrophobicContact CD2-CD1 4.23Å; L14-Y134 HydrophobicContact CD2-CE1 3.98Å; L14-L173 HydrophobicContact CD2-CD1 3.8Å
15V90.8Very high81.6Confident0 Ų049.4 Ų49.40%026%0.264CS..Hα-helixtrans-61.1-47.8179.4171.20000111L11 C12 T17 E18 L19 L29 L50 L52 I69 L175L11-V15 HydrophobicContact CD1-CG2 4.02Å; L11-V15 HydrophobicContact CG-CG2 4.13Å; L11-V15 WeakPolarHBondContact O-CB 3.49Å; L11-V15 VanDerWaalsContact O-CG2 3.22Å; L11-V15 WeakPolarHBondContact O-CG2 3.43Å; L11-V15 PolarHBondContact O-N 2.73Å; C12-V15 PolarHBondContact O-N 3.33Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.16Å; V15-E18 PolarHBondContact O-N 2.94Å; V15-L19 HydrophobicContact CG1-CD1 3.54Å; V15-L19 HydrophobicContact CG1-CG 4.15Å; V15-L19 VanDerWaalsContact O-CB 3.31Å; V15-L19 WeakPolarHBondContact O-CB 3.43Å; V15-L19 VanDerWaalsContact O-CG 3.23Å; V15-L19 WeakPolarHBondContact O-CG 3.14Å; V15-L19 PolarHBondContact O-N 3.5Å; V15-L29 HydrophobicContact CB-CD2 4.32Å; V15-L29 HydrophobicContact CG1-CD2 4.09Å; V15-L50 HydrophobicContact CG2-CD1 4.08Å; V15-L52 HydrophobicContact CG1-CD1 3.93Å; V15-L52 HydrophobicContact CG1-CD2 3.86Å; V15-I69 HydrophobicContact CB-CD1 4.43Å; V15-I69 HydrophobicContact CG1-CD1 3.68Å; V15-I69 HydrophobicContact CG2-CD1 3.88Å; V15-L175 HydrophobicContact CG2-CD1 3.9Å; V15-L175 HydrophobicContact CG2-CD2 4.41Å
16E91.7Very high82.9Confident52 Ų5254.9 Ų54.924%0.24329%0.286CS..Hα-helixtrans-53.2-52.4174.3-179-178.9100.600110.9C12 E18 N20 L27 K28 L29 W54C12-E16 VanDerWaalsContact O-CB 3.27Å; C12-E16 WeakPolarHBondContact O-CB 3.4Å; C12-E16 PolarHBondContact O-N 2.98Å; E16-E18 PolarHBondContact O-N 2.96Å; E16-N20 WeakPolarHBondContact O-CB 3.46Å; E16-N20 VanDerWaalsContact O-CG 3.23Å; E16-N20 PolarHBondContact O-N 3.45Å; E16-N20 PolarHBondContact O-ND2 2.93Å; E16-L27 WeakPolarHBondContact CG-O 3.23Å; E16-K28 WeakPolarHBondContact OE2-CA 3.3Å; E16-L29 HydrophobicContact CB-CB 3.92Å; E16-L29 HydrophobicContact CG-CB 4.18Å; E16-L29 PolarHBondContact OE2-N 3.31Å; E16-W54 HydrophobicContact CG-CZ3 4.29Å
17T91Very high84.5Confident61 Ų6150.6 Ų50.637%0.37427%0.269SS..Hα-helixtrans-60.8-49.6-177.3-57.60000111.8K13 L14 V15 R21K13-T17 WeakPolarHBondContact O-CB 3.5Å; K13-T17 PolarHBondContact O-N 2.98Å; K13-T17 PolarHBondContact O-OG1 3.32Å; L14-T17 PolarHBondContact O-N 2.75Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.16Å; T17-R21 VanDerWaalsContact O-CB 3.31Å; T17-R21 WeakPolarHBondContact O-CB 3.49Å; T17-R21 PolarHBondContact O-N 3.43Å
18E90.7Very high85.8Confident4 Ų454.6 Ų54.62%0.01929%0.285CS..Hα-helixtrans-73.9-34.9-173.8-66.5-57.9145.400112.6L14 V15 E16 R21 K22 Y134L14-E18 HydrophobicContact CD1-CG 3.95Å; L14-E18 WeakPolarHBondContact O-CG 3.49Å; L14-E18 PolarHBondContact O-N 2.89Å; V15-E18 PolarHBondContact O-N 2.94Å; E16-E18 PolarHBondContact O-N 2.96Å; E18-R21 IonicContact OE2-CZ 3.3Å; E18-R21 VanDerWaalsContact OE2-CZ 3.3Å; E18-R21 IonicContact OE2-NE 2.9Å; E18-R21 PolarHBondContact OE2-NE 2.99Å; E18-R21 IonicContact OE2-NH2 2.81Å; E18-R21 PolarHBondContact OE2-NH2 2.9Å; E18-K22 VanDerWaalsContact O-CB 3.3Å; E18-K22 WeakPolarHBondContact O-CB 3.18Å; E18-K22 PolarHBondContact O-N 3.46Å; E18-Y134 HydrophobicContact CG-CD2 3.59Å; E18-Y134 HydrophobicContact CG-CE2 4.33Å; E18-Y134 HydrophobicContact CG-CG 4.02Å
19L92Very high86.8Confident0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-71.7-44.7174.6-63.9-179.9000111.1V15 R21 K22 F23 L52 W54 L65 P66 I69 F133V15-L19 HydrophobicContact CG1-CD1 3.54Å; V15-L19 HydrophobicContact CG1-CG 4.15Å; V15-L19 VanDerWaalsContact O-CB 3.31Å; V15-L19 WeakPolarHBondContact O-CB 3.43Å; V15-L19 VanDerWaalsContact O-CG 3.23Å; V15-L19 WeakPolarHBondContact O-CG 3.14Å; V15-L19 PolarHBondContact O-N 3.5Å; L19-R21 VanDerWaalsContact C-N 3.27Å; L19-R21 PolarHBondContact O-N 3.29Å; L19-K22 PolarHBondContact O-N 2.54Å; L19-K22 VanDerWaalsContact O-N 3.16Å; L19-F23 HydrophobicContact CB-CD2 4.36Å; L19-F23 HydrophobicContact CD2-CE2 4.01Å; L19-F23 WeakPolarHBondContact O-CB 3.42Å; L19-F23 VanDerWaalsContact O-CD2 3.23Å; L19-F23 WeakPolarHBondContact O-CD2 3.44Å; L19-F23 PolarHBondContact O-N 2.98Å; L19-L52 HydrophobicContact CD1-CD1 3.54Å; L19-W54 HydrophobicContact CB-CH2 4.14Å; L19-W54 HydrophobicContact CB-CZ2 4.32Å; L19-W54 HydrophobicContact CD1-CH2 4.2Å; L19-W54 HydrophobicContact CD1-CZ2 3.71Å; L19-L65 HydrophobicContact CB-CD2 4.27Å; L19-P66 HydrophobicContact CD1-CG 3.86Å; L19-P66 HydrophobicContact CD2-CG 4.04Å; L19-I69 HydrophobicContact CD1-CD1 4.45Å; L19-I69 HydrophobicContact CD1-CG2 4.41Å; L19-I69 HydrophobicContact CD2-CG2 4.46Å; L19-F133 HydrophobicContact CD2-CB 4.04Å; L19-F133 HydrophobicContact CD2-CD1 3.87Å; L19-F133 HydrophobicContact CD2-CD2 3.89Å; L19-F133 HydrophobicContact CD2-CE1 4.3Å; L19-F133 HydrophobicContact CD2-CE2 4.29Å; L19-F133 HydrophobicContact CD2-CG 3.65Å; L19-F133 HydrophobicContact CD2-CZ 4.5Å
20N91.4Very high87.8Confident15 Ų1558.8 Ų58.88%0.0829%0.29CS..Hα-helixtrans-54.5-46.5172.8-81.9-17.6000111.3E16 F23 G24 V25 L27E16-N20 WeakPolarHBondContact O-CB 3.46Å; E16-N20 VanDerWaalsContact O-CG 3.23Å; E16-N20 PolarHBondContact O-N 3.45Å; E16-N20 PolarHBondContact O-ND2 2.93Å; N20-F23 PolarHBondContact O-N 2.81Å; N20-G24 WeakPolarHBondContact O-CA 3.41Å; N20-G24 PolarHBondContact O-N 2.98Å; N20-V25 CarbonylContact C-O 3.52Å; N20-V25 WeakPolarHBondContact CA-O 3.22Å; N20-V25 WeakPolarHBondContact CB-O 3.39Å; N20-V25 PolarHBondContact O-N 3.04Å; N20-V25 WeakPolarHBondContact OD1-CG2 3.23Å; N20-L27 PolarHBondContact ND2-N 3.41Å; N20-L27 PolarHBondContact ND2-O 2.77Å; N20-L27 PolarHBondContact OD1-N 2.83Å; N20-L27 PolarHBondContact OD1-O 3.08Å
21R89.6Confident88.6Confident133 Ų13359.1 Ų59.150%0.50230%0.296SS..Hα-helixtrans-61.4-46.5176.3-173.7-176.268.981.80.7112.2T17 E18 L19T17-R21 VanDerWaalsContact O-CB 3.31Å; T17-R21 WeakPolarHBondContact O-CB 3.49Å; T17-R21 PolarHBondContact O-N 3.43Å; E18-R21 IonicContact OE2-CZ 3.3Å; E18-R21 VanDerWaalsContact OE2-CZ 3.3Å; E18-R21 IonicContact OE2-NE 2.9Å; E18-R21 PolarHBondContact OE2-NE 2.99Å; E18-R21 IonicContact OE2-NH2 2.81Å; E18-R21 PolarHBondContact OE2-NH2 2.9Å; L19-R21 VanDerWaalsContact C-N 3.27Å; L19-R21 PolarHBondContact O-N 3.29Å
22K88.5Confident89Confident104 Ų10459 Ų5945%0.45230%0.295SS..Hα-helixtrans-64.3-40.4-178.1179.967.6176.4-175.30112.1E18 L19 F133E18-K22 VanDerWaalsContact O-CB 3.3Å; E18-K22 WeakPolarHBondContact O-CB 3.18Å; E18-K22 PolarHBondContact O-N 3.46Å; L19-K22 PolarHBondContact O-N 2.54Å; L19-K22 VanDerWaalsContact O-N 3.16Å; K22-F133 HydrophobicContact CG-CD1 4.06Å
23F88.7Confident89.3Confident63 Ų6362.4 Ų62.428%0.27631%0.309SS..Hα-helixtrans-97.6-0.9-174-67.5-75.6000113.8L19 N20 V25 I64 L65 P66 F133L19-F23 HydrophobicContact CB-CD2 4.36Å; L19-F23 HydrophobicContact CD2-CE2 4.01Å; L19-F23 WeakPolarHBondContact O-CB 3.42Å; L19-F23 VanDerWaalsContact O-CD2 3.23Å; L19-F23 WeakPolarHBondContact O-CD2 3.44Å; L19-F23 PolarHBondContact O-N 2.98Å; N20-F23 PolarHBondContact O-N 2.81Å; F23-V25 VanDerWaalsContact C-N 3.33Å; F23-V25 HydrophobicContact CB-CG2 4.15Å; F23-V25 PolarHBondContact O-N 2.94Å; F23-I64 HydrophobicContact CB-CG2 3.98Å; F23-I64 HydrophobicContact CD1-CG2 3.27Å; F23-I64 HydrophobicContact CE1-CG2 3.95Å; F23-I64 WeakPolarHBondContact CE1-O 3.43Å; F23-I64 HydrophobicContact CG-CG2 3.89Å; F23-L65 HydrophobicContact CB-CD2 3.7Å; F23-L65 HydrophobicContact CD2-CD2 3.35Å; F23-L65 HydrophobicContact CE2-CD2 4.15Å; F23-L65 HydrophobicContact CG-CD2 3.7Å; F23-P66 HydrophobicContact CE2-CG 4.32Å; F23-F133 HydrophobicContact CE2-CD1 4.48Å; F23-F133 HydrophobicContact CE2-CE1 4.02Å; F23-F133 AromaticContact CZ-CE1 3.98Å; F23-F133 HydrophobicContact CZ-CE1 3.98Å
24G89.1Confident89.4Confident72 Ų7257 Ų5774%0.74229%0.286SS*.THydrogen-bonded Turntrans66.233.7177.500000113.4N20N20-G24 WeakPolarHBondContact O-CA 3.41Å; N20-G24 PolarHBondContact O-N 2.98Å
25V88.6Confident89.5Confident37 Ų3760.3 Ų60.322%0.22430%0.301CS..  trans-121.9167.6-179-62.30000110.8N20 F23 L27 L65N20-V25 CarbonylContact C-O 3.52Å; N20-V25 WeakPolarHBondContact CA-O 3.22Å; N20-V25 WeakPolarHBondContact CB-O 3.39Å; N20-V25 PolarHBondContact O-N 3.04Å; N20-V25 WeakPolarHBondContact OD1-CG2 3.23Å; F23-V25 VanDerWaalsContact C-N 3.33Å; F23-V25 HydrophobicContact CB-CG2 4.15Å; F23-V25 PolarHBondContact O-N 2.94Å; V25-L27 HydrophobicContact CB-CG 4.38Å; V25-L27 HydrophobicContact CG2-CD1 4.39Å; V25-L27 HydrophobicContact CG2-CG 4.36Å; V25-L65 HydrophobicContact CG2-CD1 3.93Å; V25-L65 HydrophobicContact CG2-CD2 3.8Å; V25-L65 HydrophobicContact CG2-CG 4.06Å
26D88.2Confident89.2Confident147 Ų14761.7 Ų61.779%0.78631%0.308SS*.  trans-131.173.3176.3-17424.5000109.3
27L88.2Confident88.9Confident5 Ų561.6 Ų61.63%0.02631%0.309CS..  trans-110.4150.4-177.8-65.5179.7000111E16 N20 V25 W54 E56 L65E16-L27 WeakPolarHBondContact CG-O 3.23Å; N20-L27 PolarHBondContact ND2-N 3.41Å; N20-L27 PolarHBondContact ND2-O 2.77Å; N20-L27 PolarHBondContact OD1-N 2.83Å; N20-L27 PolarHBondContact OD1-O 3.08Å; V25-L27 HydrophobicContact CB-CG 4.38Å; V25-L27 HydrophobicContact CG2-CD1 4.39Å; V25-L27 HydrophobicContact CG2-CG 4.36Å; L27-W54 HydrophobicContact CB-CE3 3.89Å; L27-W54 HydrophobicContact CB-CZ3 4.17Å; L27-E56 HydrophobicContact CD2-CB 4.24Å; L27-E56 HydrophobicContact CD2-CG 4.22Å; L27-E56 WeakPolarHBondContact CD2-OE2 3.5Å; L27-L65 HydrophobicContact CB-CD1 3.95Å; L27-L65 HydrophobicContact CD1-CD1 3.53Å; L27-L65 HydrophobicContact CD1-CG 4.28Å; L27-L65 HydrophobicContact CG-CD1 4.23Å
28K90.2Very high88Confident141 Ų14160.3 Ų60.361%0.61331%0.308SS*.  trans-97.1127.9178.3-70-177.6-179.6174.50111.5E16 N55E16-K28 WeakPolarHBondContact OE2-CA 3.3Å; K28-N55 HydrophobicContact CB-CB 4.38Å; K28-N55 WeakPolarHBondContact CB-ND2 3.19Å; K28-N55 PolarHBondContact O-N 2.8Å
29L89.4Confident86.6Confident14 Ų1465.8 Ų65.87%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-80.4117.1173.8-169.467.7000109.1C12 V15 E16 C32 L52 Q53 W54C12-L29 HydrophobicContact CB-CD2 4.28Å; C12-L29 WeakPolarHBondContact O-CD2 3.31Å; V15-L29 HydrophobicContact CB-CD2 4.32Å; V15-L29 HydrophobicContact CG1-CD2 4.09Å; E16-L29 HydrophobicContact CB-CB 3.92Å; E16-L29 HydrophobicContact CG-CB 4.18Å; E16-L29 PolarHBondContact OE2-N 3.31Å; L29-C32 HydrophobicContact CD2-CB 3.98Å; L29-L52 HydrophobicContact CD1-CB 3.9Å; L29-L52 HydrophobicContact CD1-CD2 4.35Å; L29-L52 HydrophobicContact CD2-CD2 4.31Å; L29-Q53 WeakPolarHBondContact CD1-O 3.03Å; L29-W54 HydrophobicContact CB-CE3 4.07Å; L29-W54 HydrophobicContact CB-CH2 4.35Å; L29-W54 HydrophobicContact CB-CZ3 3.93Å; L29-W54 HydrophobicContact CD1-CD2 3.74Å; L29-W54 HydrophobicContact CD1-CE3 4.02Å; L29-W54 HydrophobicContact CD1-CG 4.28Å; L29-W54 HydrophobicContact CD1-CH2 4.12Å; L29-W54 HydrophobicContact CD1-CZ2 3.83Å; L29-W54 HydrophobicContact CD1-CZ3 4.21Å
30R89.2Confident84.9Confident181 Ų18168 Ų6868%0.68336%0.357SS*.EExtended strand (participates in β ladder)trans-70.7-46.5177.4-172.1178.5170.3-173.5-1.8111.5Q53 N55R30-Q53 WeakPolarHBondContact CA-O 3.29Å; R30-Q53 HydrophobicContact CB-CB 4.39Å; R30-Q53 WeakPolarHBondContact CB-O 3.1Å; R30-Q53 PolarHBondContact N-O 3.41Å; R30-N55 WeakPolarHBondContact CB-OD1 3.02Å; R30-N55 VanDerWaalsContact CG-OD1 3.26Å; R30-N55 WeakPolarHBondContact CG-OD1 3.47Å
31S88.1Confident83.4Confident39 Ų3972 Ų7227%0.27337%0.371SS..EExtended strand (participates in β ladder)trans-153.5150.4-177.5730000111.1Q53S31-Q53 PolarHBondContact N-O 2.9Å; S31-Q53 PolarHBondContact O-N 3.19Å; S31-Q53 WeakPolarHBondContact OG-CB 3.34Å; S31-Q53 PolarHBondContact OG-OE1 3.16Å
32C88.1Confident81.8Confident7 Ų766 Ų665%0.04735%0.351CS..EExtended strand (participates in β ladder)trans-133.7115.6170.1177.10000107.3C12 L29 K51 L52C12-C32 HydrophobicContact CB-CB 4.33Å; C12-C32 WeakPolarHBondContact SG-CB 3.31Å; L29-C32 HydrophobicContact CD2-CB 3.98Å; C32-K51 WeakPolarHBondContact CA-O 3.4Å; C32-L52 HydrophobicContact CB-CD2 3.99Å; C32-L52 VanDerWaalsContact SG-CD2 3.58Å
33H89.2Confident80.9Confident97 Ų9762.3 Ų62.345%0.44934%0.338SS..EExtended strand (participates in β ladder)trans-113.9125.8178.1-17763.3000110.4E8 L50 K51E8-H33 IonicContact OE1-ND1 3.84Å; H33-L50 CarbonylContact O-C 3.55Å; H33-L50 WeakPolarHBondContact O-CA 3.41Å; H33-K51 PolarHBondContact N-O 2.67Å; H33-K51 PolarHBondContact O-N 3.41Å
34G87.6Confident80.3Confident3 Ų361.2 Ų61.23%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-100.6125.4-178.800000112.9L49G34-L49 WeakPolarHBondContact CA-O 3.27Å
35E88.6Confident80.1Confident91 Ų9158 Ų5843%0.42530%0.301SS..EExtended strand (participates in β ladder)trans-109.2128.3171.8-175.7177171.300109.3I37 Y48 L49 K51E35-I37 PolarHBondContact O-N 2.81Å; E35-Y48 CarbonylContact O-C 3.48Å; E35-Y48 VanDerWaalsContact O-CA 3.26Å; E35-Y48 WeakPolarHBondContact O-CA 3.49Å; E35-L49 PolarHBondContact N-O 2.75Å; E35-L49 PolarHBondContact O-N 2.99Å; E35-K51 IonicContact OE2-NZ 2.78Å; E35-K51 PolarHBondContact OE2-NZ 3.2Å
36L85.7Confident80Confident30 Ų3058.5 Ų58.516%0.15730%0.3CS..EExtended strand (participates in β ladder)trans-74.4119.6179.1-173.164.6000109.7Q39 K46 I47 Y48L36-Q39 HydrophobicContact CD2-CG 3.81Å; L36-Q39 HydrophobicContact CG-CG 3.82Å; L36-K46 HydrophobicContact CD1-CB 3.77Å; L36-K46 HydrophobicContact CD1-CG 4.05Å; L36-I47 WeakPolarHBondContact CD1-O 3.35Å; L36-Y48 HydrophobicContact CB-CD1 4.1Å; L36-Y48 HydrophobicContact CB-CE1 4Å; L36-Y48 HydrophobicContact CD1-CD1 4.06Å; L36-Y48 HydrophobicContact CD1-CD2 4.3Å; L36-Y48 HydrophobicContact CD1-CE1 3.82Å; L36-Y48 HydrophobicContact CD1-CE2 4.07Å; L36-Y48 HydrophobicContact CD1-CG 4.3Å; L36-Y48 HydrophobicContact CG-CE1 4.41Å
37I85.4Confident80Confident49 Ų4953.3 Ų53.325%0.25127%0.272SS..EExtended strand (participates in β ladder)trans-111.9168178.761.4164.2000110.7E35 Q39 I47 L49E35-I37 PolarHBondContact O-N 2.81Å; I37-Q39 PolarHBondContact O-N 3.38Å; I37-Q39 VanDerWaalsContact O-N 3.14Å; I37-I47 HydrophobicContact CD1-CG2 3.93Å; I37-I47 HydrophobicContact CG1-CB 4.19Å; I37-I47 HydrophobicContact CG1-CG2 3.79Å; I37-I47 VanDerWaalsContact CG1-O 3.27Å; I37-I47 WeakPolarHBondContact CG1-O 3.39Å; I37-I47 PolarHBondContact N-O 3.14Å; I37-I47 VanDerWaalsContact O-O 3.11Å; I37-L49 HydrophobicContact CD1-CB 4.18Å; I37-L49 HydrophobicContact CG1-CB 4.41Å; I37-L49 HydrophobicContact CG2-CB 3.77Å
38G71.4Confident80.1Confident34 Ų3453.9 Ų53.935%0.35127%0.274SS..SBendtrans65.118.1177.100000114.5Y41G38-Y41 WeakPolarHBondContact O-CD2 3.43Å; G38-Y41 PolarHBondContact O-N 3.21Å
39Q60.5Low80.3Confident120 Ų12048 Ų4856%0.56125%0.249SC*.THydrogen-bonded Turntrans-60.5139.5172.8-70.4-161-4200110.8L36 I37 Y41L36-Q39 HydrophobicContact CD2-CG 3.81Å; L36-Q39 HydrophobicContact CG-CG 3.82Å; I37-Q39 PolarHBondContact O-N 3.38Å; I37-Q39 VanDerWaalsContact O-N 3.14Å; Q39-Y41 VanDerWaalsContact C-N 3.3Å; Q39-Y41 PolarHBondContact O-N 2.83Å
40G57.4Low80.5Confident47 Ų4747.4 Ų47.449%0.48525%0.246SC..THydrogen-bonded Turntrans79.81.7178.500000115.4G42 K401G40-G42 VanDerWaalsContact C-N 3.28Å; G40-K401 PolarHBondContact O-NZ 3.37Å
41Y59.6Low80.7Confident98 Ų9843.4 Ų43.438%0.38423%0.234SC..SBendtrans-88.43.7169.5-67.6-89.9000112.9G38 Q39 S43G38-Y41 WeakPolarHBondContact O-CD2 3.43Å; G38-Y41 PolarHBondContact O-N 3.21Å; Q39-Y41 VanDerWaalsContact C-N 3.3Å; Q39-Y41 PolarHBondContact O-N 2.83Å; Y41-S43 VanDerWaalsContact C-N 3.31Å; Y41-S43 PolarHBondContact O-N 3.32Å
42G56.9Low80.9Confident8 Ų842.1 Ų42.18%0.08222%0.224CC..  trans79.66.7174.600000115.8G40 I44 S80 L82G40-G42 VanDerWaalsContact C-N 3.28Å; G42-I44 PolarHBondContact O-N 3.4Å; G42-S80 PolarHBondContact O-OG 3.09Å; G42-L82 WeakPolarHBondContact O-CB 3.38Å; G42-L82 VanDerWaalsContact O-CD2 3.32Å; G42-L82 WeakPolarHBondContact O-CD2 3.47Å
43S68.7Low81Confident26 Ų2647 Ų4718%0.18225%0.246CC..  trans-50.1137.8-178.3171.40000113.8Y41 C45 S80Y41-S43 VanDerWaalsContact C-N 3.31Å; Y41-S43 PolarHBondContact O-N 3.32Å; S43-C45 WeakPolarHBondContact CB-O 3.13Å; S43-C45 PolarHBondContact O-N 2.73Å; S43-C45 PolarHBondContact OG-N 3.35Å; S43-C45 PolarHBondContact OG-O 2.85Å; S43-S80 WeakPolarHBondContact O-CB 3.24Å; S43-S80 PolarHBondContact O-OG 3.29Å
44I76.9Confident81Confident39 Ų3943.8 Ų43.820%0.223%0.229CC..SBendtrans-69.4-19.2172.7-67.9172000111.4G42 R75 V83 I105 L108G42-I44 PolarHBondContact O-N 3.4Å; I44-R75 VanDerWaalsContact O-CB 3.22Å; I44-R75 WeakPolarHBondContact O-CB 3.38Å; I44-R75 WeakPolarHBondContact O-CG 3.47Å; I44-R75 PolarHBondContact O-N 2.83Å; I44-R75 VanDerWaalsContact O-N 3.12Å; I44-V83 HydrophobicContact CG1-CG2 3.83Å; I44-I105 HydrophobicContact CG2-CB 4.04Å; I44-I105 HydrophobicContact CG2-CD1 4.32Å; I44-I105 HydrophobicContact CG2-CG1 3.64Å; I44-I105 HydrophobicContact CG2-CG2 3.71Å; I44-L108 HydrophobicContact CD1-CD1 3.59Å
45C84.8Confident80.8Confident5 Ų548 Ų483%0.03425%0.251CS..EExtended strand (participates in β ladder)trans-110.3152.5175.3-62.80000111.7S43 K72 V73 Q318S43-C45 WeakPolarHBondContact CB-O 3.13Å; S43-C45 PolarHBondContact O-N 2.73Å; S43-C45 PolarHBondContact OG-N 3.35Å; S43-C45 PolarHBondContact OG-O 2.85Å; C45-K72 HydrophobicContact CB-CB 4.36Å; C45-V73 CarbonylContact C-O 3.57Å; C45-V73 WeakPolarHBondContact CA-O 3.29Å; C45-V73 VanDerWaalsContact CB-O 3.31Å; C45-V73 WeakPolarHBondContact CB-O 3.47Å; C45-Q318 PolarHBondContact SG-NE2 3.11Å
46K85.1Confident79.9Confident48 Ų4848.5 Ų48.521%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-77.8131.4156.4-76.7171.9-175.2165.50107.8L36 Y48 K72 V73 R75 D78L36-K46 HydrophobicContact CD1-CB 3.77Å; L36-K46 HydrophobicContact CD1-CG 4.05Å; K46-Y48 HydrophobicContact CB-CD2 4.26Å; K46-Y48 HydrophobicContact CB-CE2 3.54Å; K46-Y48 HydrophobicContact CD-CE2 4.36Å; K46-Y48 WeakPolarHBondContact CD-OH 3.38Å; K46-K72 WeakPolarHBondContact O-CA 3.37Å; K46-V73 PolarHBondContact N-O 3.45Å; K46-V73 PolarHBondContact O-N 2.81Å; K46-R75 HydrophobicContact CG-CG 3.87Å; K46-D78 WeakPolarHBondContact CE-OD2 3.36Å; K46-D78 IonicContact NZ-OD1 2.93Å; K46-D78 PolarHBondContact NZ-OD1 2.85Å; K46-D78 IonicContact NZ-OD2 3.31Å; K46-D78 PolarHBondContact NZ-OD2 2.81Å
47I89.6Confident78.7Confident38 Ų3856.2 Ų56.220%0.19529%0.289CS..EExtended strand (participates in β ladder)trans-115.3115.8-179.1-52.1-177.6000107.3L36 I37 V70 L71 K72L36-I47 WeakPolarHBondContact CD1-O 3.35Å; I37-I47 HydrophobicContact CD1-CG2 3.93Å; I37-I47 HydrophobicContact CG1-CB 4.19Å; I37-I47 HydrophobicContact CG1-CG2 3.79Å; I37-I47 VanDerWaalsContact CG1-O 3.27Å; I37-I47 WeakPolarHBondContact CG1-O 3.39Å; I37-I47 PolarHBondContact N-O 3.14Å; I37-I47 VanDerWaalsContact O-O 3.11Å; I47-V70 HydrophobicContact CG2-CG1 3.52Å; I47-L71 CarbonylContact C-O 3.6Å; I47-L71 WeakPolarHBondContact CA-O 3.42Å; I47-K72 HydrophobicContact CG1-CG 4.26Å; I47-K72 HydrophobicContact CG2-CG 4.42Å
48Y90.7Very high77.2Confident16 Ų1656.8 Ų56.86%0.06329%0.292CS..EExtended strand (participates in β ladder)trans-106.8133.7179.5-63.3-93.7000109.9L4 E35 L36 K46 V70 L71 V73L4-Y48 HydrophobicContact CD1-CD1 3.99Å; L4-Y48 HydrophobicContact CD1-CE1 4.34Å; L4-Y48 HydrophobicContact CD1-CG 4.12Å; L4-Y48 HydrophobicContact CD2-CD1 4.38Å; L4-Y48 HydrophobicContact CD2-CD2 4.36Å; L4-Y48 HydrophobicContact CD2-CE1 4Å; L4-Y48 HydrophobicContact CD2-CE2 3.97Å; L4-Y48 HydrophobicContact CG-CD1 4Å; L4-Y48 HydrophobicContact CG-CE1 3.83Å; L4-Y48 HydrophobicContact CG-CG 4.45Å; E35-Y48 CarbonylContact O-C 3.48Å; E35-Y48 VanDerWaalsContact O-CA 3.26Å; E35-Y48 WeakPolarHBondContact O-CA 3.49Å; L36-Y48 HydrophobicContact CB-CD1 4.1Å; L36-Y48 HydrophobicContact CB-CE1 4Å; L36-Y48 HydrophobicContact CD1-CD1 4.06Å; L36-Y48 HydrophobicContact CD1-CD2 4.3Å; L36-Y48 HydrophobicContact CD1-CE1 3.82Å; L36-Y48 HydrophobicContact CD1-CE2 4.07Å; L36-Y48 HydrophobicContact CD1-CG 4.3Å; L36-Y48 HydrophobicContact CG-CE1 4.41Å; K46-Y48 HydrophobicContact CB-CD2 4.26Å; K46-Y48 HydrophobicContact CB-CE2 3.54Å; K46-Y48 HydrophobicContact CD-CE2 4.36Å; K46-Y48 WeakPolarHBondContact CD-OH 3.38Å; Y48-V70 CarbonylContact O-C 3.56Å; Y48-V70 WeakPolarHBondContact O-CA 3.22Å; Y48-L71 HydrophobicContact CD2-CD2 4.32Å; Y48-L71 HydrophobicContact CD2-CG 4.5Å; Y48-L71 PolarHBondContact N-O 2.65Å; Y48-L71 PolarHBondContact O-N 3.31Å; Y48-V73 HydrophobicContact CD2-CG2 4.23Å; Y48-V73 HydrophobicContact CE2-CG2 4.18Å
49L93.1Very high76.3Confident19 Ų1957.1 Ų57.110%0.09930%0.295CS..EExtended strand (participates in β ladder)trans-84.3112.3161-179.163.4000108G34 E35 I37 D178G34-L49 WeakPolarHBondContact CA-O 3.27Å; E35-L49 PolarHBondContact N-O 2.75Å; E35-L49 PolarHBondContact O-N 2.99Å; I37-L49 HydrophobicContact CD1-CB 4.18Å; I37-L49 HydrophobicContact CG1-CB 4.41Å; I37-L49 HydrophobicContact CG2-CB 3.77Å; L49-D178 HydrophobicContact CD1-CB 4.17Å; L49-D178 VanDerWaalsContact CD1-CG 3.49Å; L49-D178 VanDerWaalsContact CD1-OD2 3.29Å; L49-D178 WeakPolarHBondContact CD1-OD2 3.48Å
50L93.6Very high76Confident0 Ų060.8 Ų60.80%031%0.313CS..EExtended strand (participates in β ladder)trans-91.5113.3175.7-55.8-173.7000109.1L4 L11 V15 H33 L52 S68 I69 L71 L175L4-L50 HydrophobicContact CD1-CD2 3.77Å; L11-L50 HydrophobicContact CD1-CD1 4.31Å; L11-L50 HydrophobicContact CD2-CD1 3.73Å; L11-L50 HydrophobicContact CD2-CD2 3.9Å; L11-L50 HydrophobicContact CD2-CG 4.5Å; L11-L50 HydrophobicContact CG-CD1 4.12Å; V15-L50 HydrophobicContact CG2-CD1 4.08Å; H33-L50 CarbonylContact O-C 3.55Å; H33-L50 WeakPolarHBondContact O-CA 3.41Å; L50-L52 HydrophobicContact CB-CD2 4.23Å; L50-S68 CarbonylContact O-C 3.57Å; L50-S68 WeakPolarHBondContact O-CA 3.11Å; L50-S68 WeakPolarHBondContact O-CB 3.15Å; L50-I69 HydrophobicContact CB-CG1 3.85Å; L50-I69 HydrophobicContact CD1-CD1 4.13Å; L50-I69 HydrophobicContact CD1-CG1 4.05Å; L50-I69 HydrophobicContact CG-CG1 4.33Å; L50-I69 PolarHBondContact N-O 3.18Å; L50-I69 PolarHBondContact O-N 3.11Å; L50-L71 HydrophobicContact CD1-CB 3.75Å; L50-L71 HydrophobicContact CD1-CD2 4.21Å; L50-L71 HydrophobicContact CD2-CB 4.3Å; L50-L71 HydrophobicContact CD2-CD2 4.3Å; L50-L71 HydrophobicContact CG-CB 3.9Å; L50-L175 HydrophobicContact CD1-CD2 4.32Å
51K93Very high75.6Confident98 Ų9867.6 Ų67.643%0.42633%0.332SS..EExtended strand (participates in β ladder)trans-86.3126.2172.2-66.5173.3179.7156.70109C32 H33 E35C32-K51 WeakPolarHBondContact CA-O 3.4Å; H33-K51 PolarHBondContact N-O 2.67Å; H33-K51 PolarHBondContact O-N 3.41Å; E35-K51 IonicContact OE2-NZ 2.78Å; E35-K51 PolarHBondContact OE2-NZ 3.2Å
52L93.1Very high75.3Confident12 Ų1267.7 Ų67.76%0.06333%0.334CS..EExtended strand (participates in β ladder)trans-112.4132.6-170.5-54.1-175.1000110.3V15 L19 L29 C32 L50 W54 P66 A67 I69V15-L52 HydrophobicContact CG1-CD1 3.93Å; V15-L52 HydrophobicContact CG1-CD2 3.86Å; L19-L52 HydrophobicContact CD1-CD1 3.54Å; L29-L52 HydrophobicContact CD1-CB 3.9Å; L29-L52 HydrophobicContact CD1-CD2 4.35Å; L29-L52 HydrophobicContact CD2-CD2 4.31Å; C32-L52 HydrophobicContact CB-CD2 3.99Å; C32-L52 VanDerWaalsContact SG-CD2 3.58Å; L50-L52 HydrophobicContact CB-CD2 4.23Å; L52-W54 HydrophobicContact CD1-CZ2 4.4Å; L52-P66 HydrophobicContact CD1-CG 4.45Å; L52-A67 PolarHBondContact N-O 3.33Å; L52-I69 HydrophobicContact CD1-CD1 4.31Å; L52-I69 HydrophobicContact CD1-CG1 4.15Å; L52-I69 HydrophobicContact CD1-CG2 4.05Å
53Q90.5Very high75.3Confident110 Ų11071 Ų7151%0.51436%0.36SS..EExtended strand (participates in β ladder)trans-122.5122.8170.8-61.5-178.1-28.100109.1L29 R30 S31L29-Q53 WeakPolarHBondContact CD1-O 3.03Å; R30-Q53 WeakPolarHBondContact CA-O 3.29Å; R30-Q53 HydrophobicContact CB-CB 4.39Å; R30-Q53 WeakPolarHBondContact CB-O 3.1Å; R30-Q53 PolarHBondContact N-O 3.41Å; S31-Q53 PolarHBondContact N-O 2.9Å; S31-Q53 PolarHBondContact O-N 3.19Å; S31-Q53 WeakPolarHBondContact OG-CB 3.34Å; S31-Q53 PolarHBondContact OG-OE1 3.16Å
54W89.3Confident75.5Confident28 Ų2873.9 Ų73.911%0.10637%0.373CS..EExtended strand (participates in β ladder)trans-93.8149.4178.5-59.992000110.4E16 L19 L27 L29 L52 L65 P66E16-W54 HydrophobicContact CG-CZ3 4.29Å; L19-W54 HydrophobicContact CB-CH2 4.14Å; L19-W54 HydrophobicContact CB-CZ2 4.32Å; L19-W54 HydrophobicContact CD1-CH2 4.2Å; L19-W54 HydrophobicContact CD1-CZ2 3.71Å; L27-W54 HydrophobicContact CB-CE3 3.89Å; L27-W54 HydrophobicContact CB-CZ3 4.17Å; L29-W54 HydrophobicContact CB-CE3 4.07Å; L29-W54 HydrophobicContact CB-CH2 4.35Å; L29-W54 HydrophobicContact CB-CZ3 3.93Å; L29-W54 HydrophobicContact CD1-CD2 3.74Å; L29-W54 HydrophobicContact CD1-CE3 4.02Å; L29-W54 HydrophobicContact CD1-CG 4.28Å; L29-W54 HydrophobicContact CD1-CH2 4.12Å; L29-W54 HydrophobicContact CD1-CZ2 3.83Å; L29-W54 HydrophobicContact CD1-CZ3 4.21Å; L52-W54 HydrophobicContact CD1-CZ2 4.4Å; W54-L65 HydrophobicContact CD2-CD1 3.67Å; W54-L65 HydrophobicContact CE3-CD1 3.67Å; W54-L65 HydrophobicContact CG-CD1 4.44Å; W54-L65 HydrophobicContact CH2-CD1 3.61Å; W54-L65 HydrophobicContact CZ2-CB 4.15Å; W54-L65 HydrophobicContact CZ2-CD1 3.59Å; W54-L65 HydrophobicContact CZ2-CG 4.34Å; W54-L65 HydrophobicContact CZ3-CD1 3.64Å; W54-P66 PolarHBondContact NE1-O 2.91Å
55N83.7Confident75.8Confident91 Ų9172.6 Ų72.649%0.48737%0.367SS..SBendtrans-74.6-34.8-176.8-81.3-43.8000113.6K28 R30K28-N55 HydrophobicContact CB-CB 4.38Å; K28-N55 WeakPolarHBondContact CB-ND2 3.19Å; K28-N55 PolarHBondContact O-N 2.8Å; R30-N55 WeakPolarHBondContact CB-OD1 3.02Å; R30-N55 VanDerWaalsContact CG-OD1 3.26Å; R30-N55 WeakPolarHBondContact CG-OD1 3.47Å
56E70.1Confident76.1Confident102 Ų10273.6 Ų73.648%0.47737%0.373SS..SBendtrans-84.6135.4178.5-64.2-173.1-177.600108.9L27 I58 K62L27-E56 HydrophobicContact CD2-CB 4.24Å; L27-E56 HydrophobicContact CD2-CG 4.22Å; L27-E56 WeakPolarHBondContact CD2-OE2 3.5Å; E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 3.23Å; E56-K62 IonicContact OE2-NZ 3.97Å
57E58.6Low76.4Confident192 Ų19274.9 Ų74.990%0.89739%0.392SS*.  trans-57.3110.1159.6-79.8-175.9179.700105.6G59E57-G59 PolarHBondContact O-N 2.93Å
58I55.8Low76.7Confident62 Ų6274.5 Ų74.532%0.31839%0.393SS..  trans-60.696175-62.4171.6000105.1E56 K62 A63E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 3.23Å; I58-K62 HydrophobicContact CG2-CB 3.86Å; I58-K62 WeakPolarHBondContact CG2-O 3.4Å; I58-A63 HydrophobicContact CG2-CB 4.43Å
59G52.4Low76.9Confident41 Ų4173.8 Ų73.842%0.42339%0.39SS..  trans-52.1154.5174.500000109E57 E61 K62E57-G59 PolarHBondContact O-N 2.93Å; G59-E61 PolarHBondContact O-N 3.03Å; G59-K62 WeakPolarHBondContact O-CA 3.11Å; G59-K62 PolarHBondContact O-N 2.84Å
60E53.4Low77Confident197 Ų19773.7 Ų73.792%0.92139%0.391SS*.G310 helixtrans-51-30.7-174.8-70.4-177.9158.900113
61E49.2Very low77Confident189 Ų18973.9 Ų73.988%0.88339%0.391SS*.G310 helixtrans-76.3-14.8175.8-70.5-170.4157.200115.3G59G59-E61 PolarHBondContact O-N 3.03Å
62K52.9Low76.9Confident100 Ų10069.8 Ų69.844%0.43537%0.374SS..G310 helixtrans-108.511.6-176.8-76.6-171.1179.4-179.90114.1E56 I58 G59 I64E56-K62 IonicContact OE2-NZ 3.97Å; I58-K62 HydrophobicContact CG2-CB 3.86Å; I58-K62 WeakPolarHBondContact CG2-O 3.4Å; G59-K62 WeakPolarHBondContact O-CA 3.11Å; G59-K62 PolarHBondContact O-N 2.84Å; K62-I64 PolarHBondContact O-N 2.72Å
63A56.2Low76.7Confident77 Ų7770 Ų7064%0.63638%0.376SS*.THydrogen-bonded Turntrans-56.628.8-17700000116.9I58I58-A63 HydrophobicContact CG2-CB 4.43Å
64I72.9Confident76.5Confident87 Ų8765 Ų6545%0.44635%0.353SS..THydrogen-bonded Turntrans-100.9-29.1-159-59.9169.5000111.5F23 K62F23-I64 HydrophobicContact CB-CG2 3.98Å; F23-I64 HydrophobicContact CD1-CG2 3.27Å; F23-I64 HydrophobicContact CE1-CG2 3.95Å; F23-I64 WeakPolarHBondContact CE1-O 3.43Å; F23-I64 HydrophobicContact CG-CG2 3.89Å; K62-I64 PolarHBondContact O-N 2.72Å
65L84.2Confident76.2Confident13 Ų1366 Ų667%0.06836%0.357CS..SBendtrans-81.7138.5-176.5-67.5-175000112.3L19 F23 V25 L27 W54L19-L65 HydrophobicContact CB-CD2 4.27Å; F23-L65 HydrophobicContact CB-CD2 3.7Å; F23-L65 HydrophobicContact CD2-CD2 3.35Å; F23-L65 HydrophobicContact CE2-CD2 4.15Å; F23-L65 HydrophobicContact CG-CD2 3.7Å; V25-L65 HydrophobicContact CG2-CD1 3.93Å; V25-L65 HydrophobicContact CG2-CD2 3.8Å; V25-L65 HydrophobicContact CG2-CG 4.06Å; L27-L65 HydrophobicContact CB-CD1 3.95Å; L27-L65 HydrophobicContact CD1-CD1 3.53Å; L27-L65 HydrophobicContact CD1-CG 4.28Å; L27-L65 HydrophobicContact CG-CD1 4.23Å; W54-L65 HydrophobicContact CD2-CD1 3.67Å; W54-L65 HydrophobicContact CE3-CD1 3.67Å; W54-L65 HydrophobicContact CG-CD1 4.44Å; W54-L65 HydrophobicContact CH2-CD1 3.61Å; W54-L65 HydrophobicContact CZ2-CB 4.15Å; W54-L65 HydrophobicContact CZ2-CD1 3.59Å; W54-L65 HydrophobicContact CZ2-CG 4.34Å; W54-L65 HydrophobicContact CZ3-CD1 3.64Å
66P90.8Very high75.8Confident26 Ų2663.8 Ų63.817%0.16934%0.344CS..  trans-66.8140.1-179.726.7-33.5000111.3L19 F23 L52 W54 S68 I69L19-P66 HydrophobicContact CD1-CG 3.86Å; L19-P66 HydrophobicContact CD2-CG 4.04Å; F23-P66 HydrophobicContact CE2-CG 4.32Å; L52-P66 HydrophobicContact CD1-CG 4.45Å; W54-P66 PolarHBondContact NE1-O 2.91Å; P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 WeakPolarHBondContact CB-O 3.34Å; P66-I69 HydrophobicContact CB-CG2 3.95Å; P66-I69 HydrophobicContact CG-CG2 3.62Å
67A91.6Very high75.8Confident74 Ų7467.6 Ų67.661%0.61236%0.359SS*.SBendtrans-76.1-18.2169.500000112.2L52L52-A67 PolarHBondContact N-O 3.33Å
68S95Very high76.5Confident31 Ų3161.4 Ų61.422%0.21733%0.332CS..EExtended strand (participates in β ladder)trans-153.6150.717744.60000111.9L50 P66 D178L50-S68 CarbonylContact O-C 3.57Å; L50-S68 WeakPolarHBondContact O-CA 3.11Å; L50-S68 WeakPolarHBondContact O-CB 3.15Å; P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 WeakPolarHBondContact CB-O 3.34Å; S68-D178 VanDerWaalsContact CB-OD2 3.24Å; S68-D178 WeakPolarHBondContact CB-OD2 3.23Å; S68-D178 WeakPolarHBondContact O-CB 3.4Å; S68-D178 PolarHBondContact OG-OD2 2.81Å
69I96Very high77.2Confident0 Ų061.3 Ų61.30%033%0.33CS..EExtended strand (participates in β ladder)trans-139.5160.817563.7174.4000110V15 L19 L50 L52 P66 F133 L175V15-I69 HydrophobicContact CB-CD1 4.43Å; V15-I69 HydrophobicContact CG1-CD1 3.68Å; V15-I69 HydrophobicContact CG2-CD1 3.88Å; L19-I69 HydrophobicContact CD1-CD1 4.45Å; L19-I69 HydrophobicContact CD1-CG2 4.41Å; L19-I69 HydrophobicContact CD2-CG2 4.46Å; L50-I69 HydrophobicContact CB-CG1 3.85Å; L50-I69 HydrophobicContact CD1-CD1 4.13Å; L50-I69 HydrophobicContact CD1-CG1 4.05Å; L50-I69 HydrophobicContact CG-CG1 4.33Å; L50-I69 PolarHBondContact N-O 3.18Å; L50-I69 PolarHBondContact O-N 3.11Å; L52-I69 HydrophobicContact CD1-CD1 4.31Å; L52-I69 HydrophobicContact CD1-CG1 4.15Å; L52-I69 HydrophobicContact CD1-CG2 4.05Å; P66-I69 HydrophobicContact CB-CG2 3.95Å; P66-I69 HydrophobicContact CG-CG2 3.62Å; I69-F133 HydrophobicContact CB-CD2 4.43Å; I69-F133 HydrophobicContact CB-CE2 4.26Å; I69-F133 HydrophobicContact CG2-CD2 3.97Å; I69-F133 HydrophobicContact CG2-CE2 3.58Å; I69-L175 HydrophobicContact CD1-CB 4.47Å; I69-L175 HydrophobicContact CD1-CD1 4.35Å; I69-L175 HydrophobicContact CD1-CD2 4.16Å
70V94.9Very high78.2Confident18 Ų1859.8 Ų59.811%0.10931%0.313CS..EExtended strand (participates in β ladder)trans-97.9132.3175.2172.70000110I47 Y48 K72 L175 L176 D178I47-V70 HydrophobicContact CG2-CG1 3.52Å; Y48-V70 CarbonylContact O-C 3.56Å; Y48-V70 WeakPolarHBondContact O-CA 3.22Å; V70-K72 HydrophobicContact CG1-CG 4.45Å; V70-L175 CarbonylContact O-C 3.43Å; V70-L175 WeakPolarHBondContact O-CA 3.48Å; V70-L176 HydrophobicContact CB-CB 4.32Å; V70-L176 PolarHBondContact N-O 2.91Å; V70-L176 PolarHBondContact O-N 3.19Å; V70-D178 HydrophobicContact CG2-CB 4.29Å
71L92.7Very high79.2Confident3 Ų356.1 Ų56.12%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-111.5116.6171.2165.866.9000109.9L4 L11 I47 Y48 L50 V73 L173 L174 L175L4-L71 HydrophobicContact CD1-CD2 4.27Å; L11-L71 HydrophobicContact CD1-CD2 4Å; L11-L71 HydrophobicContact CD2-CD2 3.63Å; L11-L71 HydrophobicContact CG-CD2 4.48Å; I47-L71 CarbonylContact C-O 3.6Å; I47-L71 WeakPolarHBondContact CA-O 3.42Å; Y48-L71 HydrophobicContact CD2-CD2 4.32Å; Y48-L71 HydrophobicContact CD2-CG 4.5Å; Y48-L71 PolarHBondContact N-O 2.65Å; Y48-L71 PolarHBondContact O-N 3.31Å; L50-L71 HydrophobicContact CD1-CB 3.75Å; L50-L71 HydrophobicContact CD1-CD2 4.21Å; L50-L71 HydrophobicContact CD2-CB 4.3Å; L50-L71 HydrophobicContact CD2-CD2 4.3Å; L50-L71 HydrophobicContact CG-CB 3.9Å; L71-V73 HydrophobicContact CD1-CG2 3.94Å; L71-V73 HydrophobicContact CD2-CG2 3.91Å; L71-V73 HydrophobicContact CG-CG2 3.73Å; L71-L173 HydrophobicContact CD1-CB 4.28Å; L71-L173 HydrophobicContact CD1-CD2 3.83Å; L71-L174 CarbonylContact C-O 3.43Å; L71-L174 WeakPolarHBondContact CA-O 3.25Å; L71-L175 HydrophobicContact CB-CD2 3.94Å; L71-L175 HydrophobicContact CD1-CD2 3.55Å; L71-L175 HydrophobicContact CG-CD2 4.28Å
72K91.8Very high80.4Confident12 Ų1248.6 Ų48.65%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-95.8131.2167.4-58.2-177.175.2-172.70110.2C45 K46 I47 V70 E112 L173 L174 L176 D316C45-K72 HydrophobicContact CB-CB 4.36Å; K46-K72 WeakPolarHBondContact O-CA 3.37Å; I47-K72 HydrophobicContact CG1-CG 4.26Å; I47-K72 HydrophobicContact CG2-CG 4.42Å; V70-K72 HydrophobicContact CG1-CG 4.45Å; K72-E112 IonicContact NZ-OE1 3.84Å; K72-E112 PolarHBondContact NZ-OE1 3.48Å; K72-E112 IonicContact NZ-OE2 2.83Å; K72-E112 PolarHBondContact NZ-OE2 3.34Å; K72-L173 WeakPolarHBondContact O-CA 3.36Å; K72-L174 HydrophobicContact CB-CB 4.2Å; K72-L174 PolarHBondContact N-O 2.78Å; K72-L174 PolarHBondContact O-N 3.08Å; K72-L176 HydrophobicContact CD-CD1 3.91Å; K72-L176 HydrophobicContact CG-CD1 4.32Å; K72-D316 IonicContact NZ-OD1 2.85Å; K72-D316 PolarHBondContact NZ-OD1 3.3Å
73V88.5Confident81.4Confident18 Ų1844.4 Ų44.411%0.10924%0.244CC..EExtended strand (participates in β ladder)trans-128.1125177-170.20000109.4C45 K46 Y48 L71 L171 L173C45-V73 CarbonylContact C-O 3.57Å; C45-V73 WeakPolarHBondContact CA-O 3.29Å; C45-V73 VanDerWaalsContact CB-O 3.31Å; C45-V73 WeakPolarHBondContact CB-O 3.47Å; K46-V73 PolarHBondContact N-O 3.45Å; K46-V73 PolarHBondContact O-N 2.81Å; Y48-V73 HydrophobicContact CD2-CG2 4.23Å; Y48-V73 HydrophobicContact CE2-CG2 4.18Å; L71-V73 HydrophobicContact CD1-CG2 3.94Å; L71-V73 HydrophobicContact CD2-CG2 3.91Å; L71-V73 HydrophobicContact CG-CG2 3.73Å; V73-L171 HydrophobicContact CG1-CD2 4.3Å; V73-L173 HydrophobicContact CG1-CD2 4.37Å; V73-L173 HydrophobicContact CG2-CD2 3.92Å
74P87.1Confident82.4Confident5 Ų543.2 Ų43.23%0.03223%0.231CC..EExtended strand (participates in β ladder)trans-64.7138.9178.524.6-27.9000111.5M76 I105 H109 A138 G172P74-M76 HydrophobicContact CB-CG 4.44Å; P74-M76 HydrophobicContact CB-SD 4.17Å; P74-M76 HydrophobicContact CG-CG 4.47Å; P74-M76 HydrophobicContact CG-SD 4.5Å; P74-M76 PolarHBondContact O-N 2.74Å; P74-M76 VanDerWaalsContact O-N 3.08Å; P74-I105 HydrophobicContact CB-CG2 3.62Å; P74-H109 HydrophobicContact CB-CB 4.01Å; P74-H109 HydrophobicContact CG-CB 4.26Å; P74-A138 HydrophobicContact CG-CB 4.31Å; P74-G172 WeakPolarHBondContact CD-O 3.41Å
75R82.2Confident82.5Confident48 Ų4841.8 Ų41.818%0.18122%0.221CC..  trans-85.472.6-177.8-68.9-169.577.2-177.5-5.4112.6I44 K46 K77 D78 H79 I105I44-R75 VanDerWaalsContact O-CB 3.22Å; I44-R75 WeakPolarHBondContact O-CB 3.38Å; I44-R75 WeakPolarHBondContact O-CG 3.47Å; I44-R75 PolarHBondContact O-N 2.83Å; I44-R75 VanDerWaalsContact O-N 3.12Å; K46-R75 HydrophobicContact CG-CG 3.87Å; R75-K77 PolarHBondContact O-N 2.81Å; R75-D78 VanDerWaalsContact CB-O 3.3Å; R75-D78 WeakPolarHBondContact CB-O 3.3Å; R75-D78 IonicContact CZ-OD2 3.67Å; R75-D78 PolarHBondContact NE-O 2.75Å; R75-D78 IonicContact NE-OD2 3.89Å; R75-D78 PolarHBondContact NH2-O 2.79Å; R75-D78 VanDerWaalsContact NH2-O 3.13Å; R75-D78 IonicContact NH2-OD2 3.96Å; R75-D78 PolarHBondContact NH2-OD2 2.83Å; R75-H79 VanDerWaalsContact CZ-C 3.42Å; R75-H79 VanDerWaalsContact CZ-O 3.31Å; R75-H79 PolarHBondContact NH1-O 2.87Å; R75-H79 PolarHBondContact NH2-O 2.88Å; R75-I105 VanDerWaalsContact O-CD1 3.25Å; R75-I105 WeakPolarHBondContact O-CD1 3.38Å
76M75Confident82Confident45 Ų4543.2 Ų43.222%0.22223%0.229CC..SBendtrans-70.1-29.3-174.3-58.7-59.2-7500114.6P74 A102 I105 A106P74-M76 HydrophobicContact CB-CG 4.44Å; P74-M76 HydrophobicContact CB-SD 4.17Å; P74-M76 HydrophobicContact CG-CG 4.47Å; P74-M76 HydrophobicContact CG-SD 4.5Å; P74-M76 PolarHBondContact O-N 2.74Å; P74-M76 VanDerWaalsContact O-N 3.08Å; M76-A102 HydrophobicContact CE-CB 3.89Å; M76-A102 VanDerWaalsContact CE-O 3.28Å; M76-A102 WeakPolarHBondContact CE-O 3.16Å; M76-I105 HydrophobicContact SD-CB 4.32Å; M76-I105 HydrophobicContact SD-CG2 3.92Å; M76-A106 HydrophobicContact CE-CB 3.78Å; M76-A106 HydrophobicContact SD-CB 4.12Å
77K70.4Confident81.3Confident181 Ų18143.6 Ų43.679%0.78723%0.232SC*.SBendtrans-116.1-19.5-172.5-63-173179.4-175.30114.7R75R75-K77 PolarHBondContact O-N 2.81Å
78D73.5Confident80.5Confident63 Ų6345.6 Ų45.634%0.33723%0.232SC..SBendtrans-139114.6-176.168.9-61.8000110.4K46 R75K46-D78 WeakPolarHBondContact CE-OD2 3.36Å; K46-D78 IonicContact NZ-OD1 2.93Å; K46-D78 PolarHBondContact NZ-OD1 2.85Å; K46-D78 IonicContact NZ-OD2 3.31Å; K46-D78 PolarHBondContact NZ-OD2 2.81Å; R75-D78 VanDerWaalsContact CB-O 3.3Å; R75-D78 WeakPolarHBondContact CB-O 3.3Å; R75-D78 IonicContact CZ-OD2 3.67Å; R75-D78 PolarHBondContact NE-O 2.75Å; R75-D78 IonicContact NE-OD2 3.89Å; R75-D78 PolarHBondContact NH2-O 2.79Å; R75-D78 VanDerWaalsContact NH2-O 3.13Å; R75-D78 IonicContact NH2-OD2 3.96Å; R75-D78 PolarHBondContact NH2-OD2 2.83Å
79H71.6Confident79.4Confident60 Ų6044.7 Ų44.728%0.27822%0.224SC..  trans-84.8158.3-172.8-58-46.8000113.4R75 V83R75-H79 VanDerWaalsContact CZ-C 3.42Å; R75-H79 VanDerWaalsContact CZ-O 3.31Å; R75-H79 PolarHBondContact NH1-O 2.87Å; R75-H79 PolarHBondContact NH2-O 2.88Å; H79-V83 HydrophobicContact CB-CB 3.96Å; H79-V83 HydrophobicContact CB-CG1 3.68Å
80S72.9Confident78.2Confident8 Ų845.9 Ų45.96%0.05624%0.235CC..  trans-75.6161.5170.9760000110.6G42 S43 L82 V83 S84G42-S80 PolarHBondContact O-OG 3.09Å; S43-S80 WeakPolarHBondContact O-CB 3.24Å; S43-S80 PolarHBondContact O-OG 3.29Å; S80-L82 PolarHBondContact O-N 3.39Å; S80-V83 CarbonylContact O-C 3.56Å; S80-V83 PolarHBondContact O-N 2.88Å; S80-V83 VanDerWaalsContact O-N 3.09Å; S80-V83 VanDerWaalsContact OG-CG2 3.32Å; S80-V83 WeakPolarHBondContact OG-CG2 3.31Å; S80-V83 PolarHBondContact OG-N 3.21Å; S80-S84 WeakPolarHBondContact O-CB 3.5Å; S80-S84 PolarHBondContact O-N 2.79Å; S80-S84 PolarHBondContact O-OG 3.38Å
81E74.9Confident76.9Confident120 Ų12048.8 Ų48.856%0.56125%0.247SC*.Hα-helixtrans-56.3-40175.2-171.8-172.6159.400111.6S84 K85 T398E81-S84 PolarHBondContact O-N 3.3Å; E81-K85 WeakPolarHBondContact O-CG 3.37Å; E81-K85 PolarHBondContact O-N 2.78Å; E81-K85 IonicContact OE1-NZ 2.78Å; E81-T398 HydrophobicContact CG-CG2 4.46Å
82L73.5Confident75.3Confident32 Ų3250.7 Ų50.717%0.16826%0.255CS..Hα-helixtrans-61-49.7174.2-17184.6000110.9G42 S80 S84 K85 L86 V394 T398G42-L82 WeakPolarHBondContact O-CB 3.38Å; G42-L82 VanDerWaalsContact O-CD2 3.32Å; G42-L82 WeakPolarHBondContact O-CD2 3.47Å; S80-L82 PolarHBondContact O-N 3.39Å; L82-S84 VanDerWaalsContact C-N 3.32Å; L82-S84 PolarHBondContact O-N 3.04Å; L82-K85 PolarHBondContact O-N 3.32Å; L82-L86 HydrophobicContact CD2-CD1 4.42Å; L82-L86 HydrophobicContact CG-CD1 4.23Å; L82-L86 WeakPolarHBondContact O-CB 3.24Å; L82-L86 VanDerWaalsContact O-CG 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.05Å; L82-V394 HydrophobicContact CD1-CG1 3.35Å; L82-V394 HydrophobicContact CG-CG1 4.07Å; L82-T398 HydrophobicContact CD1-CG2 4.15Å
83V73.5Confident73.3Confident12 Ų1259.6 Ų59.67%0.07330%0.297CS..Hα-helixtrans-62.9-39.6178.3175.10000110.9I44 H79 S80 L86 S87I44-V83 HydrophobicContact CG1-CG2 3.83Å; H79-V83 HydrophobicContact CB-CB 3.96Å; H79-V83 HydrophobicContact CB-CG1 3.68Å; S80-V83 CarbonylContact O-C 3.56Å; S80-V83 PolarHBondContact O-N 2.88Å; S80-V83 VanDerWaalsContact O-N 3.09Å; S80-V83 VanDerWaalsContact OG-CG2 3.32Å; S80-V83 WeakPolarHBondContact OG-CG2 3.31Å; S80-V83 PolarHBondContact OG-N 3.21Å; V83-L86 PolarHBondContact O-N 3.43Å; V83-S87 WeakPolarHBondContact O-CB 3.47Å; V83-S87 PolarHBondContact O-N 3.36Å; V83-S87 PolarHBondContact O-OG 3.5Å; V83-S87 VanDerWaalsContact O-OG 3.07Å
84S76.7Confident71.7Confident51 Ų5163.8 Ų63.836%0.35732%0.315SS..Hα-helixtrans-62-43.9174.4-64.50000111.9S80 E81 L82 S87 L88S80-S84 WeakPolarHBondContact O-CB 3.5Å; S80-S84 PolarHBondContact O-N 2.79Å; S80-S84 PolarHBondContact O-OG 3.38Å; E81-S84 PolarHBondContact O-N 3.3Å; L82-S84 VanDerWaalsContact C-N 3.32Å; L82-S84 PolarHBondContact O-N 3.04Å; S84-S87 PolarHBondContact O-N 3.18Å; S84-L88 WeakPolarHBondContact O-CB 3.4Å; S84-L88 VanDerWaalsContact O-CG 3.25Å; S84-L88 WeakPolarHBondContact O-CG 3.47Å; S84-L88 PolarHBondContact O-N 3.29Å
85K75.8Confident70.1Confident57 Ų5768.2 Ų68.225%0.24834%0.344CS..Hα-helixtrans-63.5-43.1174-73.7-171.8-175.2-173.80111.8E81 L82 L88 M89 V394 V396 T398E81-K85 WeakPolarHBondContact O-CG 3.37Å; E81-K85 PolarHBondContact O-N 2.78Å; E81-K85 IonicContact OE1-NZ 2.78Å; L82-K85 PolarHBondContact O-N 3.32Å; K85-L88 PolarHBondContact O-N 3.25Å; K85-M89 WeakPolarHBondContact O-CG 3.08Å; K85-M89 PolarHBondContact O-N 3.13Å; K85-V394 HydrophobicContact CB-CG1 4.26Å; K85-V394 HydrophobicContact CB-CG2 4.47Å; K85-V396 PolarHBondContact NZ-O 3Å; K85-V396 VanDerWaalsContact NZ-O 3.1Å; K85-T398 HydrophobicContact CD-CG2 3.99Å
86L74.9Confident68.6Low44 Ų4472.8 Ų72.823%0.2337%0.367CS..Hα-helixtrans-60.1-45.4175.5-71.1171.6000111.1L82 V83 M89 A90 F239 F391 V394L82-L86 HydrophobicContact CD2-CD1 4.42Å; L82-L86 HydrophobicContact CG-CD1 4.23Å; L82-L86 WeakPolarHBondContact O-CB 3.24Å; L82-L86 VanDerWaalsContact O-CG 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.05Å; V83-L86 PolarHBondContact O-N 3.43Å; L86-M89 PolarHBondContact O-N 2.89Å; L86-A90 WeakPolarHBondContact O-CB 3.36Å; L86-A90 PolarHBondContact O-N 2.93Å; L86-F239 HydrophobicContact CB-CE2 4.45Å; L86-F239 HydrophobicContact CD2-CD2 4.35Å; L86-F239 HydrophobicContact CD2-CE1 4.44Å; L86-F239 HydrophobicContact CD2-CE2 3.39Å; L86-F239 HydrophobicContact CD2-CZ 3.44Å; L86-F239 VanDerWaalsContact CD2-CZ 3.44Å; L86-F239 HydrophobicContact CG-CE2 4.48Å; L86-F391 HydrophobicContact CD2-CD1 4.36Å; L86-F391 HydrophobicContact CD2-CE1 3.96Å; L86-V394 HydrophobicContact CD2-CG1 4.04Å; L86-V394 HydrophobicContact CD2-CG2 4.21Å; L86-V394 HydrophobicContact CG-CG1 4.18Å
87S74.7Confident67.7Low34 Ų3474.6 Ų74.624%0.23838%0.375CS..Hα-helixtrans-61.3-50.1176.7-68.30000111.2V83 S84 M89 A90 E91V83-S87 WeakPolarHBondContact O-CB 3.47Å; V83-S87 PolarHBondContact O-N 3.36Å; V83-S87 PolarHBondContact O-OG 3.5Å; V83-S87 VanDerWaalsContact O-OG 3.07Å; S84-S87 PolarHBondContact O-N 3.18Å; S87-M89 VanDerWaalsContact C-N 3.27Å; S87-M89 PolarHBondContact O-N 3Å; S87-A90 CarbonylContact O-C 3.55Å; S87-A90 WeakPolarHBondContact O-CA 3.29Å; S87-A90 PolarHBondContact O-N 3.41Å; S87-E91 WeakPolarHBondContact O-CG 3.11Å; S87-E91 PolarHBondContact O-N 2.91Å
88L75.1Confident67.1Low115 Ų11571.6 Ų71.660%0.60236%0.359SS*.Hα-helixtrans-57.4-39.2178.6-73.5169000112.5S84 K85 A90 E91S84-L88 WeakPolarHBondContact O-CB 3.4Å; S84-L88 VanDerWaalsContact O-CG 3.25Å; S84-L88 WeakPolarHBondContact O-CG 3.47Å; S84-L88 PolarHBondContact O-N 3.29Å; K85-L88 PolarHBondContact O-N 3.25Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-E91 PolarHBondContact O-N 3.37Å
89M72.6Confident66.6Low12 Ų1270.7 Ų70.76%0.05935%0.353CS..Hα-helixtrans-73.8-25.2175.7-74.9-176.3-18000113.4K85 L86 S87 F239 N242 P393 V394K85-M89 WeakPolarHBondContact O-CG 3.08Å; K85-M89 PolarHBondContact O-N 3.13Å; L86-M89 PolarHBondContact O-N 2.89Å; S87-M89 VanDerWaalsContact C-N 3.27Å; S87-M89 PolarHBondContact O-N 3Å; M89-F239 HydrophobicContact CB-CD2 3.43Å; M89-F239 VanDerWaalsContact CB-CD2 3.43Å; M89-F239 HydrophobicContact CB-CE2 3.59Å; M89-F239 HydrophobicContact CG-CE2 4.28Å; M89-F239 WeakPolarHBondContact O-CA 3.08Å; M89-F239 HydrophobicContact SD-CD2 4.38Å; M89-F239 HydrophobicContact SD-CE2 3.67Å; M89-F239 HydrophobicContact SD-CZ 4.2Å; M89-N242 HydrophobicContact CB-CB 4.48Å; M89-N242 WeakPolarHBondContact O-CB 3.36Å; M89-N242 PolarHBondContact O-ND2 3.44Å; M89-P393 HydrophobicContact CE-CB 3.77Å; M89-P393 HydrophobicContact CE-CG 4.37Å; M89-V394 HydrophobicContact CE-CG2 3.54Å; M89-V394 HydrophobicContact SD-CG2 3.23Å; M89-V394 WeakPolarHBondContact SD-CG2 3.44Å
90A70.7Confident66.5Low26 Ų2671.5 Ų71.522%0.21536%0.36CS..Hα-helixtrans-86.4-9176.400000113.4L86 S87 L88 K92 F239L86-A90 WeakPolarHBondContact O-CB 3.36Å; L86-A90 PolarHBondContact O-N 2.93Å; S87-A90 CarbonylContact O-C 3.55Å; S87-A90 WeakPolarHBondContact O-CA 3.29Å; S87-A90 PolarHBondContact O-N 3.41Å; L88-A90 VanDerWaalsContact C-N 3.34Å; A90-K92 PolarHBondContact O-N 3.43Å; A90-F239 HydrophobicContact CB-CB 4.23Å
91E66.8Low66.5Low78 Ų7873.1 Ų73.136%0.36437%0.37SS..  trans-62.3129.3-179.3-75-169.9-163.500111.8S87 L88 R98S87-E91 WeakPolarHBondContact O-CG 3.11Å; S87-E91 PolarHBondContact O-N 2.91Å; L88-E91 PolarHBondContact O-N 3.37Å; E91-R98 VanDerWaalsContact CD-NH1 3.29Å; E91-R98 IonicContact OE1-NH1 3.3Å; E91-R98 PolarHBondContact OE1-NH1 3.27Å; E91-R98 IonicContact OE2-CZ 3.31Å; E91-R98 IonicContact OE2-NH1 2.98Å; E91-R98 PolarHBondContact OE2-NH1 3.35Å; E91-R98 IonicContact OE2-NH2 2.63Å; E91-R98 PolarHBondContact OE2-NH2 3.48Å
92K58.5Low66.6Low43 Ų4368.1 Ų68.119%0.18735%0.349CS..  trans-88.8161.7162.6-70.4-173.9175.21770110.3A90 E94 E97A90-K92 PolarHBondContact O-N 3.43Å; K92-E94 PolarHBondContact O-N 2.94Å; K92-E97 HydrophobicContact CD-CB 4.07Å; K92-E97 WeakPolarHBondContact CD-OE2 3.41Å; K92-E97 VanDerWaalsContact CE-OE2 3.32Å; K92-E97 WeakPolarHBondContact CE-OE2 3.25Å; K92-E97 IonicContact NZ-OE1 3.88Å; K92-E97 PolarHBondContact NZ-OE1 3.35Å; K92-E97 IonicContact NZ-OE2 2.75Å; K92-E97 PolarHBondContact NZ-OE2 3.46Å
93E51.6Low66.8Low199 Ų19971.6 Ų71.693%0.9337%0.365SS*.SBendtrans-60.2-29.1171.5-68.1-173.6162.500112
94E54.6Low67.1Low107 Ų10775.5 Ų75.550%0.538%0.378SS..SBendtrans-101.7127.7-176.9-62.6-161.615400113.6K92 H96K92-E94 PolarHBondContact O-N 2.94Å; E94-H96 PolarHBondContact O-N 3.33Å; E94-H96 IonicContact OE2-CE1 3.77Å; E94-H96 PolarHBondContact OE2-CE1 3.43Å; E94-H96 IonicContact OE2-NE2 3.32Å; E94-H96 PolarHBondContact OE2-NE2 2.91Å
95P52.1Low67.4Low97 Ų9773.4 Ų73.463%0.6336%0.363SS*.G310 helixtrans-67.5-28.5-173.4-22.632000116.3E97 R98P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 PolarHBondContact O-N 2.78Å; P95-R98 PolarHBondContact O-N 3.42Å
96H51.6Low67.8Low144 Ų14470.7 Ų70.767%0.66735%0.351SS*.G310 helixtrans-79.4-8.5-167.852.9-87.5000113.9E94E94-H96 PolarHBondContact O-N 3.33Å; E94-H96 IonicContact OE2-CE1 3.77Å; E94-H96 PolarHBondContact OE2-CE1 3.43Å; E94-H96 IonicContact OE2-NE2 3.32Å; E94-H96 PolarHBondContact OE2-NE2 2.91Å
97E55.3Low68.4Low84 Ų8470.4 Ų70.439%0.39335%0.349SS..G310 helixtrans-95.5-7177.2-60-172119.600112.5K92 P95 I99 H235K92-E97 HydrophobicContact CD-CB 4.07Å; K92-E97 WeakPolarHBondContact CD-OE2 3.41Å; K92-E97 VanDerWaalsContact CE-OE2 3.32Å; K92-E97 WeakPolarHBondContact CE-OE2 3.25Å; K92-E97 IonicContact NZ-OE1 3.88Å; K92-E97 PolarHBondContact NZ-OE1 3.35Å; K92-E97 IonicContact NZ-OE2 2.75Å; K92-E97 PolarHBondContact NZ-OE2 3.46Å; P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 PolarHBondContact O-N 2.78Å; E97-I99 PolarHBondContact O-N 3.07Å; E97-H235 PolarHBondContact O-CE1 3.48Å; E97-H235 PolarHBondContact O-NE2 3.41Å
98R59.1Low69.1Low117 Ų11769.1 Ų69.144%0.44234%0.34SS..  trans-66.6120.1-174.2-65177.8-176.5-147-7.3111.4E91 P95 D100E91-R98 VanDerWaalsContact CD-NH1 3.29Å; E91-R98 IonicContact OE1-NH1 3.3Å; E91-R98 PolarHBondContact OE1-NH1 3.27Å; E91-R98 IonicContact OE2-CZ 3.31Å; E91-R98 IonicContact OE2-NH1 2.98Å; E91-R98 PolarHBondContact OE2-NH1 3.35Å; E91-R98 IonicContact OE2-NH2 2.63Å; E91-R98 PolarHBondContact OE2-NH2 3.48Å; P95-R98 PolarHBondContact O-N 3.42Å; R98-D100 PolarHBondContact O-N 3.28Å
99I62.4Low69.9Low44 Ų4463.7 Ų63.723%0.22631%0.311CS..  trans-61126.7164.8-65.7168.8000107.9E97 P101 R104 E232 H235E97-I99 PolarHBondContact O-N 3.07Å; I99-P101 WeakPolarHBondContact O-CD 3.3Å; I99-P101 VanDerWaalsContact O-N 3.13Å; I99-R104 HydrophobicContact CG2-CB 4.48Å; I99-E232 HydrophobicContact CD1-CB 4.46Å; I99-E232 HydrophobicContact CD1-CG 3.79Å; I99-H235 HydrophobicContact CD1-CB 4.32Å; I99-H235 WeakPolarHBondContact CD1-ND1 3.23Å; I99-H235 WeakPolarHBondContact CG1-ND1 3.27Å
100D70.7Confident70.8Confident77 Ų7764.3 Ų64.341%0.41232%0.315SS..  trans-59.6114.4173.3179.51.8000109.4R98 A102 Q103 R104R98-D100 PolarHBondContact O-N 3.28Å; D100-A102 PolarHBondContact O-N 2.7Å; D100-A102 VanDerWaalsContact O-N 3.11Å; D100-A102 VanDerWaalsContact OD1-CB 3.29Å; D100-A102 WeakPolarHBondContact OD1-CB 3.44Å; D100-A102 PolarHBondContact OD1-N 3.25Å; D100-Q103 HydrophobicContact CB-CB 4.32Å; D100-Q103 HydrophobicContact CB-CG 3.97Å; D100-Q103 PolarHBondContact O-N 2.81Å; D100-Q103 VanDerWaalsContact O-N 3.07Å; D100-R104 PolarHBondContact O-N 3.15Å
101P71.9Confident71.9Confident43 Ų4363.1 Ų63.128%0.27930%0.304SS..Hα-helixtrans-54.3-32.9178.1-25.835.8000112.1I99 R104 I105I99-P101 WeakPolarHBondContact O-CD 3.3Å; I99-P101 VanDerWaalsContact O-N 3.13Å; P101-R104 PolarHBondContact O-N 3.19Å; P101-I105 WeakPolarHBondContact O-CB 3.35Å; P101-I105 WeakPolarHBondContact O-CG1 3.5Å; P101-I105 PolarHBondContact O-N 3.21Å
102A77.1Confident73.2Confident14 Ų1459.4 Ų59.412%0.11629%0.287CS..Hα-helixtrans-62.7-43.8178.800000112M76 D100 R104 I105 A106M76-A102 HydrophobicContact CE-CB 3.89Å; M76-A102 VanDerWaalsContact CE-O 3.28Å; M76-A102 WeakPolarHBondContact CE-O 3.16Å; D100-A102 PolarHBondContact O-N 2.7Å; D100-A102 VanDerWaalsContact O-N 3.11Å; D100-A102 VanDerWaalsContact OD1-CB 3.29Å; D100-A102 WeakPolarHBondContact OD1-CB 3.44Å; D100-A102 PolarHBondContact OD1-N 3.25Å; A102-R104 VanDerWaalsContact C-N 3.35Å; A102-R104 PolarHBondContact O-N 3.13Å; A102-I105 PolarHBondContact O-N 3.08Å; A102-A106 WeakPolarHBondContact O-CB 3.4Å; A102-A106 PolarHBondContact O-N 3.28Å
103Q78.3Confident74.9Confident106 Ų10657.7 Ų57.750%0.49528%0.28SS..Hα-helixtrans-61.3-43.4176.8-69.6178.8-2.400111.6D100 I105 A106 M107D100-Q103 HydrophobicContact CB-CB 4.32Å; D100-Q103 HydrophobicContact CB-CG 3.97Å; D100-Q103 PolarHBondContact O-N 2.81Å; D100-Q103 VanDerWaalsContact O-N 3.07Å; Q103-I105 PolarHBondContact O-N 2.89Å; Q103-A106 PolarHBondContact O-N 2.98Å; Q103-M107 WeakPolarHBondContact O-CB 3.48Å; Q103-M107 PolarHBondContact O-N 3.41Å
104R79Confident76.9Confident93 Ų9349.2 Ų49.235%0.35124%0.242SC..Hα-helixtrans-63.9-42.4176.9-173.2172.1-176.7176.71.6111.7I99 D100 P101 A102 A106 M107 L108I99-R104 HydrophobicContact CG2-CB 4.48Å; D100-R104 PolarHBondContact O-N 3.15Å; P101-R104 PolarHBondContact O-N 3.19Å; A102-R104 VanDerWaalsContact C-N 3.35Å; A102-R104 PolarHBondContact O-N 3.13Å; R104-A106 VanDerWaalsContact C-N 3.34Å; R104-M107 PolarHBondContact O-N 3.45Å; R104-L108 HydrophobicContact CG-CD1 4.27Å; R104-L108 WeakPolarHBondContact O-CB 3.15Å; R104-L108 VanDerWaalsContact O-CG 3.26Å; R104-L108 WeakPolarHBondContact O-CG 3.18Å; R104-L108 PolarHBondContact O-N 2.87Å
105I82.8Confident78.7Confident7 Ų744.1 Ų44.14%0.03622%0.218CC..Hα-helixtrans-62.2-42.8176.6-68.9175.2000110.7I44 P74 R75 M76 P101 A102 Q103 L108 H109I44-I105 HydrophobicContact CG2-CB 4.04Å; I44-I105 HydrophobicContact CG2-CD1 4.32Å; I44-I105 HydrophobicContact CG2-CG1 3.64Å; I44-I105 HydrophobicContact CG2-CG2 3.71Å; P74-I105 HydrophobicContact CB-CG2 3.62Å; R75-I105 VanDerWaalsContact O-CD1 3.25Å; R75-I105 WeakPolarHBondContact O-CD1 3.38Å; M76-I105 HydrophobicContact SD-CB 4.32Å; M76-I105 HydrophobicContact SD-CG2 3.92Å; P101-I105 WeakPolarHBondContact O-CB 3.35Å; P101-I105 WeakPolarHBondContact O-CG1 3.5Å; P101-I105 PolarHBondContact O-N 3.21Å; A102-I105 PolarHBondContact O-N 3.08Å; Q103-I105 PolarHBondContact O-N 2.89Å; I105-L108 PolarHBondContact O-N 3.14Å; I105-H109 WeakPolarHBondContact O-CB 3.39Å; I105-H109 PolarHBondContact O-N 3.36Å
106A85.3Confident80.7Confident0 Ų039.7 Ų39.70%019%0.188CC..Hα-helixtrans-63.3-45.2175.200000112M76 A102 Q103 R104 L108 H109 N110 A138M76-A106 HydrophobicContact CE-CB 3.78Å; M76-A106 HydrophobicContact SD-CB 4.12Å; A102-A106 WeakPolarHBondContact O-CB 3.4Å; A102-A106 PolarHBondContact O-N 3.28Å; Q103-A106 PolarHBondContact O-N 2.98Å; R104-A106 VanDerWaalsContact C-N 3.34Å; A106-L108 PolarHBondContact O-N 3.5Å; A106-H109 PolarHBondContact O-N 3.13Å; A106-N110 VanDerWaalsContact O-CB 3.25Å; A106-N110 WeakPolarHBondContact O-CB 3.43Å; A106-N110 PolarHBondContact O-N 3.4Å; A106-N110 PolarHBondContact O-ND2 2.66Å; A106-N110 PolarHBondContact O-OD1 2.68Å; A106-A138 HydrophobicContact CB-CB 3.8Å
107M86.2Confident82.6Confident39 Ų3933.5 Ų33.519%0.19216%0.162CC..Hα-helixtrans-57.7-48176.9-178.1-17968.400111.7Q103 R104 N110 N111 T224 I226Q103-M107 WeakPolarHBondContact O-CB 3.48Å; Q103-M107 PolarHBondContact O-N 3.41Å; R104-M107 PolarHBondContact O-N 3.45Å; M107-N110 PolarHBondContact O-N 2.79Å; M107-N111 WeakPolarHBondContact O-CB 3.27Å; M107-N111 PolarHBondContact O-N 2.78Å; M107-T224 HydrophobicContact CG-CG2 4.12Å; M107-T224 HydrophobicContact SD-CG2 4.05Å; M107-I226 HydrophobicContact CE-CD1 4.06Å; M107-I226 HydrophobicContact CE-CG2 4.19Å; M107-I226 HydrophobicContact CG-CD1 4.14Å; M107-I226 HydrophobicContact SD-CD1 4.29Å
108L89.2Confident84.3Confident7 Ų729.7 Ų29.74%0.03714%0.144CC..Hα-helixtrans-63.3-44.8179.2-70.5176.9000112.3I44 R104 I105 A106 N111 E112 I226 Q318 L319I44-L108 HydrophobicContact CD1-CD1 3.59Å; R104-L108 HydrophobicContact CG-CD1 4.27Å; R104-L108 WeakPolarHBondContact O-CB 3.15Å; R104-L108 VanDerWaalsContact O-CG 3.26Å; R104-L108 WeakPolarHBondContact O-CG 3.18Å; R104-L108 PolarHBondContact O-N 2.87Å; I105-L108 PolarHBondContact O-N 3.14Å; A106-L108 PolarHBondContact O-N 3.5Å; L108-N111 PolarHBondContact O-N 3.19Å; L108-E112 PolarHBondContact O-N 3.26Å; L108-E112 VanDerWaalsContact O-N 3.13Å; L108-I226 HydrophobicContact CD2-CD1 4.24Å; L108-I226 HydrophobicContact CD2-CG2 3.81Å; L108-Q318 HydrophobicContact CB-CB 4.17Å; L108-L319 HydrophobicContact CD2-CD2 3.41Å; L108-L319 VanDerWaalsContact CD2-CD2 3.41Å; L108-L319 HydrophobicContact CD2-CG 4.42Å
109H91.6Very high85.8Confident0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-60.7-44.7174174.285.7000111.7P74 I105 A106 N111 E112 V113 R136 G172 L173P74-H109 HydrophobicContact CB-CB 4.01Å; P74-H109 HydrophobicContact CG-CB 4.26Å; I105-H109 WeakPolarHBondContact O-CB 3.39Å; I105-H109 PolarHBondContact O-N 3.36Å; A106-H109 PolarHBondContact O-N 3.13Å; H109-N111 VanDerWaalsContact C-N 3.3Å; H109-N111 PolarHBondContact O-N 3.38Å; H109-E112 PolarHBondContact O-N 2.99Å; H109-V113 WeakPolarHBondContact NE2-CG2 3.44Å; H109-V113 WeakPolarHBondContact O-CG2 3.39Å; H109-V113 PolarHBondContact O-N 3.2Å; H109-R136 PolarHBondContact NE2-O 3.19Å; H109-G172 WeakPolarHBondContact NE2-CA 3.4Å; H109-L173 PolarHBondContact CE1-N 3.2Å; H109-L173 PolarHBondContact NE2-N 3.25Å
110N92.4Very high87Confident26 Ų2625.5 Ų25.514%0.13913%0.13CC..Hα-helixtrans-64.5-37.5-179.1-71.6-8.5000112A106 M107 V113 D114 K137 A138A106-N110 VanDerWaalsContact O-CB 3.25Å; A106-N110 WeakPolarHBondContact O-CB 3.43Å; A106-N110 PolarHBondContact O-N 3.4Å; A106-N110 PolarHBondContact O-ND2 2.66Å; A106-N110 PolarHBondContact O-OD1 2.68Å; M107-N110 PolarHBondContact O-N 2.79Å; N110-V113 WeakPolarHBondContact O-CB 3.4Å; N110-V113 PolarHBondContact O-N 2.86Å; N110-D114 PolarHBondContact O-N 2.77Å; N110-K137 HydrophobicContact CB-CB 4.46Å; N110-K137 HydrophobicContact CB-CD 4.19Å; N110-K137 HydrophobicContact CB-CG 4.07Å; N110-K137 VanDerWaalsContact OD1-C 3.3Å; N110-K137 WeakPolarHBondContact OD1-CA 3.4Å; N110-K137 WeakPolarHBondContact OD1-CB 3.49Å; N110-A138 PolarHBondContact ND2-O 3Å; N110-A138 PolarHBondContact OD1-N 2.76Å; N110-A138 PolarHBondContact OD1-O 3.21Å
111N92.8Very high87.7Confident0 Ų025.2 Ų25.20%013%0.134CC..Hα-helixtrans-66.1-39175.8-16352.2000111.7M107 L108 H109 D114 A115 T224 I226 Q318 I320M107-N111 WeakPolarHBondContact O-CB 3.27Å; M107-N111 PolarHBondContact O-N 2.78Å; L108-N111 PolarHBondContact O-N 3.19Å; H109-N111 VanDerWaalsContact C-N 3.3Å; H109-N111 PolarHBondContact O-N 3.38Å; N111-D114 PolarHBondContact O-N 2.79Å; N111-A115 WeakPolarHBondContact O-CB 3.4Å; N111-A115 PolarHBondContact O-N 2.99Å; N111-T224 PolarHBondContact OD1-N 2.89Å; N111-I226 HydrophobicContact CB-CD1 4.09Å; N111-Q318 PolarHBondContact ND2-O 2.83Å; N111-I320 PolarHBondContact ND2-O 2.91Å
112E94.8Very high88.4Confident1 Ų125.7 Ų25.71%0.00513%0.132CC..Hα-helixtrans-65.5-38.7172.6-173177.1-163.600112.2K72 L108 H109 D114 A115 Y116 L174 W317 Q318K72-E112 IonicContact NZ-OE1 3.84Å; K72-E112 PolarHBondContact NZ-OE1 3.48Å; K72-E112 IonicContact NZ-OE2 2.83Å; K72-E112 PolarHBondContact NZ-OE2 3.34Å; L108-E112 PolarHBondContact O-N 3.26Å; L108-E112 VanDerWaalsContact O-N 3.13Å; H109-E112 PolarHBondContact O-N 2.99Å; E112-D114 VanDerWaalsContact C-N 3.34Å; E112-D114 PolarHBondContact O-N 3.07Å; E112-A115 VanDerWaalsContact O-CB 3.32Å; E112-A115 WeakPolarHBondContact O-CB 3.18Å; E112-A115 PolarHBondContact O-N 3.43Å; E112-Y116 HydrophobicContact CG-CD2 3.97Å; E112-Y116 HydrophobicContact CG-CE2 3.84Å; E112-Y116 WeakPolarHBondContact O-CD2 3.33Å; E112-Y116 PolarHBondContact O-N 3.49Å; E112-L174 HydrophobicContact CB-CD1 4.14Å; E112-L174 HydrophobicContact CG-CD1 3.63Å; E112-W317 HydrophobicContact CG-CB 4.3Å; E112-Q318 HydrophobicContact CB-CB 4.48Å; E112-Q318 HydrophobicContact CB-CG 3.72Å; E112-Q318 HydrophobicContact CG-CG 4.2Å; E112-Q318 WeakPolarHBondContact OE2-CG 3.35Å; E112-Q318 PolarHBondContact OE2-NE2 2.92Å
113V94.2Very high88.5Confident6 Ų630.8 Ų30.84%0.03617%0.167CC..Hα-helixtrans-60.2-44.6173.3171.90000111.1H109 N110 A115 Y116 A117 K137 L174H109-V113 WeakPolarHBondContact NE2-CG2 3.44Å; H109-V113 WeakPolarHBondContact O-CG2 3.39Å; H109-V113 PolarHBondContact O-N 3.2Å; N110-V113 WeakPolarHBondContact O-CB 3.4Å; N110-V113 PolarHBondContact O-N 2.86Å; V113-A115 VanDerWaalsContact C-N 3.33Å; V113-Y116 PolarHBondContact O-N 2.89Å; V113-A117 WeakPolarHBondContact O-CB 3.35Å; V113-A117 PolarHBondContact O-N 3.14Å; V113-K137 HydrophobicContact CB-CG 4.28Å; V113-K137 HydrophobicContact CG1-CG 4Å; V113-L174 HydrophobicContact CG2-CD1 4.17Å; V113-L174 HydrophobicContact CG2-CD2 3.9Å; V113-L174 HydrophobicContact CG2-CG 3.86Å
114D93.3Very high88.5Confident22 Ų2232.8 Ų32.812%0.11818%0.181CC..Hα-helixtrans-64.8-38.1176.2-72.7-31.2000111.9N110 N111 E112 A117 M118 K137 L223N110-D114 PolarHBondContact O-N 2.77Å; N111-D114 PolarHBondContact O-N 2.79Å; E112-D114 VanDerWaalsContact C-N 3.34Å; E112-D114 PolarHBondContact O-N 3.07Å; D114-A117 PolarHBondContact O-N 3.43Å; D114-M118 WeakPolarHBondContact O-CB 3.4Å; D114-M118 PolarHBondContact O-N 3.09Å; D114-K137 WeakPolarHBondContact OD1-CE 3.46Å; D114-K137 IonicContact OD1-NZ 3.97Å; D114-K137 PolarHBondContact OD1-NZ 3.34Å; D114-K137 WeakPolarHBondContact OD2-CE 3.4Å; D114-K137 IonicContact OD2-NZ 3.97Å; D114-K137 PolarHBondContact OD2-NZ 3.15Å; D114-L223 HydrophobicContact CB-CD2 4.01Å
115A93.4Very high88.4Confident0 Ų029.9 Ų29.90%017%0.172CC..Hα-helixtrans-57.2-53.6175.100000111.6N111 E112 V113 A117 M118 F119 W317 I320N111-A115 WeakPolarHBondContact O-CB 3.4Å; N111-A115 PolarHBondContact O-N 2.99Å; E112-A115 VanDerWaalsContact O-CB 3.32Å; E112-A115 WeakPolarHBondContact O-CB 3.18Å; E112-A115 PolarHBondContact O-N 3.43Å; V113-A115 VanDerWaalsContact C-N 3.33Å; A115-A117 VanDerWaalsContact C-N 3.32Å; A115-A117 PolarHBondContact O-N 3.33Å; A115-M118 PolarHBondContact O-N 3.19Å; A115-F119 HydrophobicContact CB-CE2 4.4Å; A115-F119 VanDerWaalsContact O-CB 3.3Å; A115-F119 WeakPolarHBondContact O-CB 3.26Å; A115-F119 VanDerWaalsContact O-CD2 3.27Å; A115-F119 WeakPolarHBondContact O-CD2 3.36Å; A115-F119 VanDerWaalsContact O-CG 3.23Å; A115-F119 WeakPolarHBondContact O-CG 3.27Å; A115-F119 PolarHBondContact O-N 3.44Å; A115-W317 HydrophobicContact CB-CB 3.87Å; A115-I320 HydrophobicContact CB-CD1 4.2Å; A115-I320 HydrophobicContact CB-CG2 3.69Å
116Y93.7Very high88.2Confident3 Ų332 Ų321%0.01219%0.187CC..Hα-helixtrans-63.4-38.3177.7-83.6-72.6000112E112 V113 F119 M120 I129 P130 C132 L174 L176E112-Y116 HydrophobicContact CG-CD2 3.97Å; E112-Y116 HydrophobicContact CG-CE2 3.84Å; E112-Y116 WeakPolarHBondContact O-CD2 3.33Å; E112-Y116 PolarHBondContact O-N 3.49Å; V113-Y116 PolarHBondContact O-N 2.89Å; Y116-F119 PolarHBondContact O-N 2.93Å; Y116-M120 HydrophobicContact CD1-CE 4.38Å; Y116-M120 WeakPolarHBondContact O-CB 3.48Å; Y116-M120 WeakPolarHBondContact O-CG 3.41Å; Y116-M120 PolarHBondContact O-N 2.78Å; Y116-I129 HydrophobicContact CD1-CD1 4.23Å; Y116-I129 HydrophobicContact CE1-CD1 4.22Å; Y116-P130 WeakPolarHBondContact CE1-O 3.46Å; Y116-P130 WeakPolarHBondContact OH-CD 3.48Å; Y116-C132 HydrophobicContact CD1-CB 3.5Å; Y116-C132 HydrophobicContact CE1-CB 4.17Å; Y116-C132 HydrophobicContact CG-CB 3.85Å; Y116-L174 HydrophobicContact CD2-CD1 4.38Å; Y116-L174 HydrophobicContact CD2-CD2 4.02Å; Y116-L174 HydrophobicContact CE2-CD1 4.49Å; Y116-L176 HydrophobicContact CD1-CD2 4.26Å; Y116-L176 HydrophobicContact CD2-CD2 4.23Å; Y116-L176 HydrophobicContact CE1-CD2 3.81Å; Y116-L176 HydrophobicContact CE2-CD1 4.17Å; Y116-L176 HydrophobicContact CE2-CD2 3.79Å; Y116-L176 HydrophobicContact CG-CD2 4.44Å
117A91.1Very high88.5Confident15 Ų1532.6 Ų32.612%0.12419%0.19CC..Hα-helixtrans-63-44.1177.400000111.9V113 D114 A115 S121 L151 Y152V113-A117 WeakPolarHBondContact O-CB 3.35Å; V113-A117 PolarHBondContact O-N 3.14Å; D114-A117 PolarHBondContact O-N 3.43Å; A115-A117 VanDerWaalsContact C-N 3.32Å; A115-A117 PolarHBondContact O-N 3.33Å; A117-S121 WeakPolarHBondContact O-CB 3.34Å; A117-S121 PolarHBondContact O-N 3.23Å; A117-L151 HydrophobicContact CB-CD2 4.35Å; A117-Y152 HydrophobicContact CB-CE2 4.14Å
118M91.2Very high88.9Confident3 Ų332.4 Ų32.42%0.01519%0.191CC..Hα-helixtrans-62.4-51.5175.2176.5-177.461.600110.7D114 A115 M120 S121 W211 V217 W219 L223 L287 I320D114-M118 WeakPolarHBondContact O-CB 3.4Å; D114-M118 PolarHBondContact O-N 3.09Å; A115-M118 PolarHBondContact O-N 3.19Å; M118-M120 PolarHBondContact O-N 3.01Å; M118-S121 PolarHBondContact O-N 3.15Å; M118-S121 PolarHBondContact O-OG 2.94Å; M118-W211 HydrophobicContact CG-CH2 4.24Å; M118-W211 HydrophobicContact SD-CH2 4.16Å; M118-V217 HydrophobicContact CG-CG1 4.45Å; M118-W219 HydrophobicContact SD-CB 3.5Å; M118-W219 VanDerWaalsContact SD-CB 3.5Å; M118-L223 HydrophobicContact CE-CD1 4.08Å; M118-L287 HydrophobicContact CE-CD1 3.57Å; M118-L287 HydrophobicContact SD-CD1 4.27Å; M118-I320 HydrophobicContact CE-CD1 4.15Å
119F91.4Very high89.2Confident2 Ų233.1 Ų33.11%0.00920%0.195CC..Hα-helixtrans-62.8-41.3-178.3-73.5-24000113.6A115 Y116 S121 E122 L125 I127 I129 L208 L287 W317 I320A115-F119 HydrophobicContact CB-CE2 4.4Å; A115-F119 VanDerWaalsContact O-CB 3.3Å; A115-F119 WeakPolarHBondContact O-CB 3.26Å; A115-F119 VanDerWaalsContact O-CD2 3.27Å; A115-F119 WeakPolarHBondContact O-CD2 3.36Å; A115-F119 VanDerWaalsContact O-CG 3.23Å; A115-F119 WeakPolarHBondContact O-CG 3.27Å; A115-F119 PolarHBondContact O-N 3.44Å; Y116-F119 PolarHBondContact O-N 2.93Å; F119-S121 VanDerWaalsContact C-N 3.26Å; F119-S121 PolarHBondContact O-N 3.03Å; F119-E122 PolarHBondContact O-N 2.85Å; F119-L125 HydrophobicContact CB-CD2 3.38Å; F119-L125 HydrophobicContact CD1-CD1 3.92Å; F119-L125 HydrophobicContact CD1-CD2 3.6Å; F119-L125 HydrophobicContact CD1-CG 4.43Å; F119-L125 HydrophobicContact CD2-CD2 4.38Å; F119-L125 HydrophobicContact CE1-CD1 4.48Å; F119-L125 HydrophobicContact CE1-CD2 4.47Å; F119-L125 HydrophobicContact CG-CD2 3.54Å; F119-I127 HydrophobicContact CD1-CD1 4.42Å; F119-I127 HydrophobicContact CD2-CD1 4.27Å; F119-I127 HydrophobicContact CE1-CD1 4.06Å; F119-I127 HydrophobicContact CE2-CD1 3.9Å; F119-I127 HydrophobicContact CZ-CD1 3.79Å; F119-I129 HydrophobicContact CB-CD1 3.63Å; F119-I129 HydrophobicContact CD2-CD1 3.66Å; F119-I129 HydrophobicContact CG-CD1 3.97Å; F119-L208 HydrophobicContact CE1-CD1 4.16Å; F119-L208 HydrophobicContact CZ-CD1 4.44Å; F119-L287 HydrophobicContact CE1-CD1 4.1Å; F119-L287 HydrophobicContact CZ-CD1 4.47Å; F119-W317 AromaticContact CE2-CD2 3.77Å; F119-W317 HydrophobicContact CE2-CD2 3.77Å; F119-W317 AromaticContact CE2-CE2 3.95Å; F119-W317 AromaticContact CE2-CE3 3.8Å; F119-W317 HydrophobicContact CE2-CE3 3.8Å; F119-W317 HydrophobicContact CE2-CG 4.32Å; F119-W317 HydrophobicContact CE2-CH2 4.16Å; F119-W317 HydrophobicContact CE2-CZ2 4.15Å; F119-W317 AromaticContact CE2-CZ3 3.99Å; F119-W317 HydrophobicContact CE2-CZ3 3.99Å; F119-W317 HydrophobicContact CZ-CD2 4.48Å; F119-W317 HydrophobicContact CZ-CE3 4.07Å; F119-W317 HydrophobicContact CZ-CH2 4.16Å; F119-W317 AromaticContact CZ-CZ3 3.89Å; F119-W317 HydrophobicContact CZ-CZ3 3.89Å; F119-I320 HydrophobicContact CE1-CD1 4.43Å; F119-I320 HydrophobicContact CE2-CD1 3.96Å; F119-I320 HydrophobicContact CZ-CD1 3.54Å
120M86.1Confident89.4Confident72 Ų7233.4 Ų33.436%0.35520%0.197SC..Hα-helixtrans-77.9-9.9179.4-63.7-76.5139.600113.2Y116 M118 E122 I129 C132Y116-M120 HydrophobicContact CD1-CE 4.38Å; Y116-M120 WeakPolarHBondContact O-CB 3.48Å; Y116-M120 WeakPolarHBondContact O-CG 3.41Å; Y116-M120 PolarHBondContact O-N 2.78Å; M118-M120 PolarHBondContact O-N 3.01Å; M120-E122 VanDerWaalsContact C-N 3.28Å; M120-I129 HydrophobicContact CE-CD1 3.64Å; M120-I129 HydrophobicContact CE-CG1 3.91Å; M120-C132 HydrophobicContact CG-CB 4.17Å
121S85.4Confident89.4Confident71 Ų7133.3 Ų33.350%0.49720%0.2SC..Hα-helixtrans-77.7-16.8172.375.80000112.9A117 M118 F119A117-S121 WeakPolarHBondContact O-CB 3.34Å; A117-S121 PolarHBondContact O-N 3.23Å; M118-S121 PolarHBondContact O-N 3.15Å; M118-S121 PolarHBondContact O-OG 2.94Å; F119-S121 VanDerWaalsContact C-N 3.26Å; F119-S121 PolarHBondContact O-N 3.03Å
122E86.5Confident89.5Confident53 Ų5334.2 Ų34.225%0.24821%0.206CC..  trans-90.5131.8178.6-67.2-68.695.800111.1F119 M120 L125 W211 T215 V217F119-E122 PolarHBondContact O-N 2.85Å; M120-E122 VanDerWaalsContact C-N 3.28Å; E122-L125 HydrophobicContact CB-CB 4.17Å; E122-L125 HydrophobicContact CB-CD1 4.48Å; E122-W211 HydrophobicContact CG-CZ2 3.58Å; E122-W211 PolarHBondContact OE2-NE1 3.33Å; E122-T215 PolarHBondContact OE2-OG1 3.43Å; E122-V217 VanDerWaalsContact CD-CG2 3.49Å; E122-V217 HydrophobicContact CG-CG2 4.37Å; E122-V217 WeakPolarHBondContact OE1-CG2 3.3Å
123S79.4Confident89.4Confident120 Ų12034.8 Ų34.884%0.83921%0.208SC*.THydrogen-bonded Turntrans-71-32.8-179.2-49.10000113.1
124D78.2Confident89.3Confident148 Ų14835.3 Ų35.379%0.79121%0.21SC*.THydrogen-bonded Turntrans-128.849.2-173-66.4-44.5000111.6P126D124-P126 VanDerWaalsContact O-CD 3.29Å; D124-P126 WeakPolarHBondContact O-CD 3.34Å
125L77.2Confident89.3Confident32 Ų3234.6 Ų34.617%0.16821%0.208CC..  trans-66118.3178.3-171.674.5000110.4F119 E122 I127 I129 W211F119-L125 HydrophobicContact CB-CD2 3.38Å; F119-L125 HydrophobicContact CD1-CD1 3.92Å; F119-L125 HydrophobicContact CD1-CD2 3.6Å; F119-L125 HydrophobicContact CD1-CG 4.43Å; F119-L125 HydrophobicContact CD2-CD2 4.38Å; F119-L125 HydrophobicContact CE1-CD1 4.48Å; F119-L125 HydrophobicContact CE1-CD2 4.47Å; F119-L125 HydrophobicContact CG-CD2 3.54Å; E122-L125 HydrophobicContact CB-CB 4.17Å; E122-L125 HydrophobicContact CB-CD1 4.48Å; L125-I127 HydrophobicContact CD1-CG1 4.33Å; L125-I127 HydrophobicContact CD2-CD1 3.96Å; L125-I127 HydrophobicContact CD2-CG1 3.46Å; L125-I127 VanDerWaalsContact CD2-CG1 3.46Å; L125-I127 HydrophobicContact CG-CD1 4.48Å; L125-I127 HydrophobicContact CG-CG1 3.66Å; L125-I127 PolarHBondContact O-N 2.91Å; L125-I127 VanDerWaalsContact O-N 3.08Å; L125-I129 HydrophobicContact CD2-CD1 4.01Å; L125-W211 HydrophobicContact CD1-CD2 4.16Å; L125-W211 HydrophobicContact CD1-CG 4.36Å
126P78.6Confident89.1Confident53 Ų5336.2 Ų36.234%0.34421%0.214SC..  trans-85.518.3-168.236.7-38.4000113.6D124 K207 W211D124-P126 VanDerWaalsContact O-CD 3.29Å; D124-P126 WeakPolarHBondContact O-CD 3.34Å; P126-K207 HydrophobicContact CB-CB 4.04Å; P126-K207 HydrophobicContact CB-CD 4.34Å; P126-K207 HydrophobicContact CG-CB 4.04Å; P126-K207 WeakPolarHBondContact O-CD 3.17Å; P126-W211 HydrophobicContact CG-CB 4.25Å
127I91.5Very high88.9Confident11 Ų1139.8 Ų39.86%0.05623%0.23CC..SBendtrans-112.2136.9178.960.8163000111.6F119 L125 I129 I204 L208 W317F119-I127 HydrophobicContact CD1-CD1 4.42Å; F119-I127 HydrophobicContact CD2-CD1 4.27Å; F119-I127 HydrophobicContact CE1-CD1 4.06Å; F119-I127 HydrophobicContact CE2-CD1 3.9Å; F119-I127 HydrophobicContact CZ-CD1 3.79Å; L125-I127 HydrophobicContact CD1-CG1 4.33Å; L125-I127 HydrophobicContact CD2-CD1 3.96Å; L125-I127 HydrophobicContact CD2-CG1 3.46Å; L125-I127 VanDerWaalsContact CD2-CG1 3.46Å; L125-I127 HydrophobicContact CG-CD1 4.48Å; L125-I127 HydrophobicContact CG-CG1 3.66Å; L125-I127 PolarHBondContact O-N 2.91Å; L125-I127 VanDerWaalsContact O-N 3.08Å; I127-I129 HydrophobicContact CD1-CG2 3.75Å; I127-I129 HydrophobicContact CG1-CG2 4.12Å; I127-I129 PolarHBondContact O-N 3.49Å; I127-I204 HydrophobicContact CB-CG2 4.25Å; I127-I204 HydrophobicContact CG2-CG2 4Å; I127-L208 HydrophobicContact CD1-CD1 4.09Å; I127-L208 HydrophobicContact CG2-CB 3.63Å; I127-L208 HydrophobicContact CG2-CD1 4.08Å; I127-L208 HydrophobicContact CG2-CG 4.28Å; I127-W317 HydrophobicContact CD1-CH2 3.72Å; I127-W317 HydrophobicContact CD1-CZ2 3.66Å
128P95.2Very high88.7Confident35 Ų3539.2 Ų39.223%0.22723%0.225CC..  trans-76.5112.9174.930.7-31.3000109.7I204 V311 V312 A313 L314P128-I204 HydrophobicContact CG-CD1 3.5Å; P128-I204 VanDerWaalsContact CG-CD1 3.5Å; P128-I204 HydrophobicContact CG-CG1 4Å; P128-I204 HydrophobicContact CG-CG2 4.35Å; P128-V311 HydrophobicContact CG-CG1 4.08Å; P128-V312 VanDerWaalsContact CB-O 3.3Å; P128-V312 WeakPolarHBondContact CB-O 3.28Å; P128-A313 CarbonylContact O-C 3.55Å; P128-A313 WeakPolarHBondContact O-CA 3.25Å; P128-L314 PolarHBondContact O-N 2.93Å
129I95.7Very high87.8Confident23 Ų2340.8 Ų40.812%0.11824%0.238CC..  trans-135154.7172.261.6175.5000108.7Y116 F119 M120 L125 I127 W317Y116-I129 HydrophobicContact CD1-CD1 4.23Å; Y116-I129 HydrophobicContact CE1-CD1 4.22Å; F119-I129 HydrophobicContact CB-CD1 3.63Å; F119-I129 HydrophobicContact CD2-CD1 3.66Å; F119-I129 HydrophobicContact CG-CD1 3.97Å; M120-I129 HydrophobicContact CE-CD1 3.64Å; M120-I129 HydrophobicContact CE-CG1 3.91Å; L125-I129 HydrophobicContact CD2-CD1 4.01Å; I127-I129 HydrophobicContact CD1-CG2 3.75Å; I127-I129 HydrophobicContact CG1-CG2 4.12Å; I127-I129 PolarHBondContact O-N 3.49Å; I129-W317 HydrophobicContact CG2-CZ2 3.71Å
130P94.9Very high86Confident5 Ų543.7 Ų43.73%0.03225%0.254CS..PPolyproline II helixtrans-59.8143.2174.9-18.231.7000110.5Y116 C132 L176 E177 L179 A313 I315Y116-P130 WeakPolarHBondContact CE1-O 3.46Å; Y116-P130 WeakPolarHBondContact OH-CD 3.48Å; P130-C132 PolarHBondContact O-N 2.99Å; P130-L176 HydrophobicContact CB-CB 4.35Å; P130-E177 HydrophobicContact CB-CB 4.08Å; P130-L179 HydrophobicContact CB-CD1 4.19Å; P130-L179 HydrophobicContact CG-CD1 4.02Å; P130-A313 HydrophobicContact CG-CB 4.17Å; P130-I315 HydrophobicContact CG-CG2 3.64Å
131A92.8Very high84Confident25 Ų2548.2 Ų48.221%0.20727%0.274CS..PPolyproline II helixtrans-59.5132.7170.700000110.2F133 L176 E177A131-F133 HydrophobicContact CB-CE1 4.17Å; A131-F133 HydrophobicContact CB-CZ 4.36Å; A131-L176 CarbonylContact O-C 3.47Å; A131-L176 VanDerWaalsContact O-CA 3.31Å; A131-L176 WeakPolarHBondContact O-CA 3.42Å; A131-E177 HydrophobicContact CB-CB 4.04Å; A131-E177 PolarHBondContact N-OE2 2.72Å; A131-E177 PolarHBondContact O-N 2.67Å
132C94.6Very high81.8Confident18 Ų1849.1 Ų49.112%0.12227%0.273CS..EExtended strand (participates in β ladder)trans-97.7116.8173.2-1770000109.6Y116 M120 P130 L176Y116-C132 HydrophobicContact CD1-CB 3.5Å; Y116-C132 HydrophobicContact CE1-CB 4.17Å; Y116-C132 HydrophobicContact CG-CB 3.85Å; M120-C132 HydrophobicContact CG-CB 4.17Å; P130-C132 PolarHBondContact O-N 2.99Å; C132-L176 HydrophobicContact CB-CD2 3.83Å
133F93.2Very high79.4Confident13 Ų1355.3 Ų55.36%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-85.4-33.4178.3-55-56000111.6L19 K22 F23 I69 A131 L175 E177L19-F133 HydrophobicContact CD2-CB 4.04Å; L19-F133 HydrophobicContact CD2-CD1 3.87Å; L19-F133 HydrophobicContact CD2-CD2 3.89Å; L19-F133 HydrophobicContact CD2-CE1 4.3Å; L19-F133 HydrophobicContact CD2-CE2 4.29Å; L19-F133 HydrophobicContact CD2-CG 3.65Å; L19-F133 HydrophobicContact CD2-CZ 4.5Å; K22-F133 HydrophobicContact CG-CD1 4.06Å; F23-F133 HydrophobicContact CE2-CD1 4.48Å; F23-F133 HydrophobicContact CE2-CE1 4.02Å; F23-F133 AromaticContact CZ-CE1 3.98Å; F23-F133 HydrophobicContact CZ-CE1 3.98Å; I69-F133 HydrophobicContact CB-CD2 4.43Å; I69-F133 HydrophobicContact CB-CE2 4.26Å; I69-F133 HydrophobicContact CG2-CD2 3.97Å; I69-F133 HydrophobicContact CG2-CE2 3.58Å; A131-F133 HydrophobicContact CB-CE1 4.17Å; A131-F133 HydrophobicContact CB-CZ 4.36Å; F133-L175 HydrophobicContact CB-CB 4.13Å; F133-L175 PolarHBondContact N-O 3.46Å; F133-E177 HydrophobicContact CE2-CB 4.33Å; F133-E177 HydrophobicContact CZ-CB 4.27Å
134Y92.4Very high77Confident17 Ų1753.9 Ų53.97%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-160.4138.9-178.6-179.6-99.6000111L14 E18 R136 L173 L174 L175L14-Y134 HydrophobicContact CD1-CD2 4.42Å; L14-Y134 HydrophobicContact CD1-CE1 4.25Å; L14-Y134 HydrophobicContact CD1-CE2 4.09Å; L14-Y134 HydrophobicContact CD2-CD1 4.23Å; L14-Y134 HydrophobicContact CD2-CE1 3.98Å; E18-Y134 HydrophobicContact CG-CD2 3.59Å; E18-Y134 HydrophobicContact CG-CE2 4.33Å; E18-Y134 HydrophobicContact CG-CG 4.02Å; Y134-R136 HydrophobicContact CE1-CB 3.67Å; Y134-L173 HydrophobicContact CE1-CB 4.39Å; Y134-L173 HydrophobicContact CE1-CD1 4.38Å; Y134-L174 CarbonylContact O-C 3.55Å; Y134-L174 WeakPolarHBondContact O-CA 3.43Å; Y134-L175 HydrophobicContact CD1-CD1 4.48Å; Y134-L175 HydrophobicContact CD1-CG 4.4Å; Y134-L175 HydrophobicContact CG-CD1 4.48Å; Y134-L175 PolarHBondContact N-O 3.33Å; Y134-L175 PolarHBondContact O-N 3.39Å
135G92.2Very high74.8Confident8 Ų855.3 Ų55.38%0.08231%0.305CS..EExtended strand (participates in β ladder)trans-135.3131.2173.300000110.5L173G135-L173 CarbonylContact C-O 3.55Å; G135-L173 WeakPolarHBondContact CA-O 3.49Å
136R89.5Confident72.6Confident34 Ų3464.4 Ų64.413%0.12834%0.337CS..EExtended strand (participates in β ladder)trans-130.6128.4174-176.2177.265.1-151.84.3109.7H109 Y134 L168 L171 G172 L173H109-R136 PolarHBondContact NE2-O 3.19Å; Y134-R136 HydrophobicContact CE1-CB 3.67Å; R136-L168 PolarHBondContact NH2-O 3.03Å; R136-L171 PolarHBondContact NE-O 3.49Å; R136-L171 PolarHBondContact NH2-O 3.34Å; R136-G172 CarbonylContact O-C 3.18Å; R136-G172 WeakPolarHBondContact O-CA 3.46Å; R136-L173 HydrophobicContact CB-CB 4.47Å; R136-L173 VanDerWaalsContact CZ-CD1 3.48Å; R136-L173 PolarHBondContact N-O 2.91Å; R136-L173 VanDerWaalsContact NH2-CG 3.27Å; R136-L173 PolarHBondContact O-N 3.44Å
137K90.6Very high70.5Confident78 Ų7867.8 Ų67.834%0.33935%0.352SS..PPolyproline II helixtrans-64.7140.9172.9-70.4-172.7174-176.20111.2N110 V113 D114 A139N110-K137 HydrophobicContact CB-CB 4.46Å; N110-K137 HydrophobicContact CB-CD 4.19Å; N110-K137 HydrophobicContact CB-CG 4.07Å; N110-K137 VanDerWaalsContact OD1-C 3.3Å; N110-K137 WeakPolarHBondContact OD1-CA 3.4Å; N110-K137 WeakPolarHBondContact OD1-CB 3.49Å; V113-K137 HydrophobicContact CB-CG 4.28Å; V113-K137 HydrophobicContact CG1-CG 4Å; D114-K137 WeakPolarHBondContact OD1-CE 3.46Å; D114-K137 IonicContact OD1-NZ 3.97Å; D114-K137 PolarHBondContact OD1-NZ 3.34Å; D114-K137 WeakPolarHBondContact OD2-CE 3.4Å; D114-K137 IonicContact OD2-NZ 3.97Å; D114-K137 PolarHBondContact OD2-NZ 3.15Å; K137-A139 PolarHBondContact O-N 3.09Å
138A86.2Confident67.7Low2 Ų273.7 Ų73.72%0.01738%0.383CS..PPolyproline II helixtrans-66.8125.1162.900000108P74 A106 N110P74-A138 HydrophobicContact CG-CB 4.31Å; A106-A138 HydrophobicContact CB-CB 3.8Å; N110-A138 PolarHBondContact ND2-O 3Å; N110-A138 PolarHBondContact OD1-N 2.76Å; N110-A138 PolarHBondContact OD1-O 3.21Å
139A72.2Confident64.7Low36 Ų3682.4 Ų82.430%0.29841%0.411SS..PPolyproline II helixtrans-76.1130.1166.300000106.8K137 E141 L147K137-A139 PolarHBondContact O-N 3.09Å; A139-E141 PolarHBondContact O-N 3.18Å; A139-L147 HydrophobicContact CB-CD1 4.15Å
140D54.2Low61.7Low64 Ų6486 Ų8634%0.34244%0.437SS..PPolyproline II helixtrans-57141.9162.8-60.3-43.3000107I142D140-I142 HydrophobicContact CB-CB 4.21Å; D140-I142 HydrophobicContact CB-CD1 3.49Å; D140-I142 VanDerWaalsContact CB-CD1 3.49Å; D140-I142 HydrophobicContact CB-CG1 3.41Å; D140-I142 VanDerWaalsContact CB-CG1 3.41Å; D140-I142 PolarHBondContact O-N 2.99Å; D140-I142 VanDerWaalsContact OD2-CD1 3.24Å; D140-I142 WeakPolarHBondContact OD2-CD1 3.31Å
141E43.2Very low58.9Low166 Ų16690.2 Ų90.278%0.77646%0.458SS*.  trans-6751.5160.8-73.9-177.1170.200109A139 Q143A139-E141 PolarHBondContact O-N 3.18Å; E141-Q143 PolarHBondContact O-N 2.9Å; E141-Q143 VanDerWaalsContact O-N 3.1Å
142I40.6Very low56.3Low91 Ų9194.3 Ų94.347%0.46747%0.469SS..  trans-73.4101.6170.6-72.7161.7000106.5D140 G144 K145D140-I142 HydrophobicContact CB-CB 4.21Å; D140-I142 HydrophobicContact CB-CD1 3.49Å; D140-I142 VanDerWaalsContact CB-CD1 3.49Å; D140-I142 HydrophobicContact CB-CG1 3.41Å; D140-I142 VanDerWaalsContact CB-CG1 3.41Å; D140-I142 PolarHBondContact O-N 2.99Å; D140-I142 VanDerWaalsContact OD2-CD1 3.24Å; D140-I142 WeakPolarHBondContact OD2-CD1 3.31Å; I142-G144 PolarHBondContact O-N 3.36Å; I142-K145 PolarHBondContact O-N 3.31Å
143Q35.8Very low53.4Low182 Ų182100.3 Ų100.385%0.8551%0.505SS*.THydrogen-bonded Turntrans23.771.1142.9-70.5-178.5-11.100114.7E141 K145E141-Q143 PolarHBondContact O-N 2.9Å; E141-Q143 VanDerWaalsContact O-N 3.1Å; Q143-K145 PolarHBondContact O-N 3.5Å
144G29.3Very low50.6Low90 Ų90101.3 Ų101.393%0.92852%0.518SS*.THydrogen-bonded Turntrans58.214.5164.800000117.9I142I142-G144 PolarHBondContact O-N 3.36Å
145K30.2Very low48.1Very low179 Ų179103.7 Ų103.778%0.77854%0.535SS*.  trans-104.2109.7178.1-78.1-170.4178.7178.30111.7I142 Q143 L147I142-K145 PolarHBondContact O-N 3.31Å; Q143-K145 PolarHBondContact O-N 3.5Å; K145-L147 PolarHBondContact O-N 3.35Å
146R32.5Very low45.4Very low223 Ų223107.9 Ų107.984%0.84257%0.569SS**  trans-55.3122.7171.6-130.9179.1-175.4-172.7-0.6110.2D148R146-D148 PolarHBondContact O-N 2.89Å
147L34Very low43Very low124 Ų124113.4 Ų113.465%0.64960%0.599SS**  trans-70103160-96.4140000107.8A139 K145 R149A139-L147 HydrophobicContact CB-CD1 4.15Å; K145-L147 PolarHBondContact O-N 3.35Å; L147-R149 PolarHBondContact O-N 2.87Å; L147-R149 VanDerWaalsContact O-N 3.1Å
148D32.7Very low40.6Very low135 Ų135111.4 Ų111.472%0.72259%0.592SS**SBendtrans-72.87.1-180-86.1-23.4000114.2R146R146-D148 PolarHBondContact O-N 2.89Å
149R31.3Very low38.6Very low217 Ų217120.5 Ų120.582%0.81963%0.631SS**  trans-142.985.1174.3-67.5-172.6-178.6-178.10.3111.8L147 L151L147-R149 PolarHBondContact O-N 2.87Å; L147-R149 VanDerWaalsContact O-N 3.1Å; R149-L151 PolarHBondContact O-N 3.13Å
150P32.4Very low37.2Very low100 Ų100128 Ų12865%0.64966%0.66SS**  trans-61.5115.3152.525.1-28.4000107.7
151L36.2Very low36.8Very low92 Ų92131.8 Ų131.848%0.48267%0.669SS.*SBendtrans-57136.8156.5-110.290.5000107.4A117 R149A117-L151 HydrophobicContact CB-CD2 4.35Å; R149-L151 PolarHBondContact O-N 3.13Å
152Y38.1Very low36.8Very low112 Ų112131 Ų13144%0.43966%0.664SS.*SBendtrans73.595.8-177.3-62.2-78.3000116.6A117A117-Y152 HydrophobicContact CB-CE2 4.14Å
153V34.2Very low37.2Very low144 Ų144132.9 Ų132.987%0.87367%0.674SS**  trans-67120.3171.8176.50000109.7
154G35.4Very low37.8Very low33 Ų33127.4 Ų127.434%0.3465%0.651SS.*  trans176.621.2175.800000118.1
155V39.2Very low38.5Very low68 Ų68125.2 Ų125.241%0.41262%0.616SS.*  trans-135.369.9179-161.10000112.3L158 F165V155-L158 HydrophobicContact CG1-CB 4.43Å; V155-L158 HydrophobicContact CG1-CD1 3.97Å; V155-L158 HydrophobicContact CG1-CG 4.28Å; V155-F165 HydrophobicContact CG1-CE2 4.29Å; V155-F165 HydrophobicContact CG1-CZ 3.87Å
156A36.3Very low39.4Very low96 Ų96122.1 Ų122.179%0.79360%0.604SS**  trans-84.6-4.2171.300000113.9
157I38.5Very low40.4Very low149 Ų149114.4 Ų114.476%0.76458%0.584SS**SBendtrans-104.7-6.1-160.8-62.2-179.3000115.6
158L40.1Very low41.2Very low37 Ų37109.5 Ų109.519%0.19456%0.558CS.*  trans-11243-166.5-62.8173.7000116.3K13 V155 Q160 F165K13-L158 HydrophobicContact CD-CD2 3.73Å; V155-L158 HydrophobicContact CG1-CB 4.43Å; V155-L158 HydrophobicContact CG1-CD1 3.97Å; V155-L158 HydrophobicContact CG1-CG 4.28Å; L158-Q160 VanDerWaalsContact C-N 3.27Å; L158-Q160 PolarHBondContact O-N 3.31Å; L158-Q160 VanDerWaalsContact O-N 3.14Å; L158-F165 HydrophobicContact CB-CD2 4.43Å; L158-F165 HydrophobicContact CB-CE2 4.21Å; L158-F165 HydrophobicContact CD1-CE2 4Å
159K43.3Very low42.1Very low193 Ų193106.6 Ų106.684%0.83954%0.543SS*.THydrogen-bonded Turntrans-66-9.8-176.9-85.7-174.8178.1176.90116.9
160Q43.8Very low43.5Very low192 Ų19298.3 Ų98.390%0.89752%0.518SS*.THydrogen-bonded Turntrans-930.6-163.1-82.4-172.92.300118.1L158L158-Q160 VanDerWaalsContact C-N 3.27Å; L158-Q160 PolarHBondContact O-N 3.31Å; L158-Q160 VanDerWaalsContact O-N 3.14Å
161R44.7Very low45.3Very low144 Ų14495.7 Ų95.754%0.54350%0.498SS..  trans-146.586.8165.1-67.4-160.5-148.4-154.511.1111Y6 D163 F165Y6-R161 WeakPolarHBondContact OH-CD 3.36Å; Y6-R161 PolarHBondContact OH-NE 3.47Å; Y6-R161 PolarHBondContact OH-NH1 3.26Å; Y6-R161 VanDerWaalsContact OH-NH1 3.13Å; Y6-R161 PolarHBondContact OH-NH2 3.5Å; R161-D163 PolarHBondContact O-N 3.23Å; R161-F165 WeakPolarHBondContact O-CB 3.49Å; R161-F165 PolarHBondContact O-N 3.03Å
162K44.7Very low47.7Very low151 Ų15191.3 Ų91.366%0.65748%0.475SS*.Hα-helixtrans-54.2-50.6-177.4-97.4-175.3170.2-174.50112.5L164 F165 E166K162-L164 PolarHBondContact O-N 2.98Å; K162-F165 CarbonylContact O-C 3.59Å; K162-F165 PolarHBondContact O-N 3.32Å; K162-E166 WeakPolarHBondContact O-CB 3.49Å; K162-E166 VanDerWaalsContact O-CG 3.3Å; K162-E166 WeakPolarHBondContact O-CG 3.41Å; K162-E166 PolarHBondContact O-N 2.92Å
163D49Very low50.3Low129 Ų12986.4 Ų86.469%0.6946%0.456SS*.Hα-helixtrans-68.3-41.8-166.8-33.4-26000112.4R161 S167R161-D163 PolarHBondContact O-N 3.23Å; D163-S167 PolarHBondContact O-N 3.25Å
164L47.6Very low53.1Low67 Ų6779.5 Ų79.535%0.35142%0.415SS..Hα-helixtrans-75.1-35175.7-90.990.5000112.5Y6 K162 E166 S167 L168Y6-L164 HydrophobicContact CD1-CD2 3.36Å; Y6-L164 HydrophobicContact CE1-CB 4.48Å; Y6-L164 HydrophobicContact CE1-CD2 2.98Å; Y6-L164 HydrophobicContact CE1-CG 4.3Å; Y6-L164 HydrophobicContact CE2-CD2 4.36Å; Y6-L164 HydrophobicContact CG-CD2 4.22Å; K162-L164 PolarHBondContact O-N 2.98Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-S167 PolarHBondContact O-N 3.4Å; L164-S167 PolarHBondContact O-OG 2.7Å; L164-L168 PolarHBondContact O-N 2.87Å
165F45.1Very low55.9Low45 Ų4578 Ų7820%0.19740%0.399CS..Hα-helixtrans-67-37.3174.3-173-113000111.1V155 L158 R161 K162 S167 L168 L169V155-F165 HydrophobicContact CG1-CE2 4.29Å; V155-F165 HydrophobicContact CG1-CZ 3.87Å; L158-F165 HydrophobicContact CB-CD2 4.43Å; L158-F165 HydrophobicContact CB-CE2 4.21Å; L158-F165 HydrophobicContact CD1-CE2 4Å; R161-F165 WeakPolarHBondContact O-CB 3.49Å; R161-F165 PolarHBondContact O-N 3.03Å; K162-F165 CarbonylContact O-C 3.59Å; K162-F165 PolarHBondContact O-N 3.32Å; F165-S167 VanDerWaalsContact C-N 3.34Å; F165-S167 PolarHBondContact O-N 2.83Å; F165-L168 CarbonylContact O-C 3.5Å; F165-L168 WeakPolarHBondContact O-CA 3.45Å; F165-L168 WeakPolarHBondContact O-CB 3.49Å; F165-L168 PolarHBondContact O-N 2.64Å; F165-L168 VanDerWaalsContact O-N 3.11Å; F165-L169 HydrophobicContact CD1-CD1 3.42Å; F165-L169 VanDerWaalsContact CD1-CD1 3.42Å; F165-L169 HydrophobicContact CD1-CD2 4.31Å; F165-L169 HydrophobicContact CD1-CG 3.7Å; F165-L169 HydrophobicContact CE1-CD1 3.39Å; F165-L169 HydrophobicContact CE1-CD2 3.64Å; F165-L169 HydrophobicContact CE1-CG 3.54Å; F165-L169 HydrophobicContact CE2-CD2 4.37Å; F165-L169 HydrophobicContact CE2-CG 4.43Å; F165-L169 HydrophobicContact CG-CD1 4.34Å; F165-L169 HydrophobicContact CG-CG 4.24Å; F165-L169 HydrophobicContact CZ-CD1 4.25Å; F165-L169 HydrophobicContact CZ-CD2 3.65Å; F165-L169 HydrophobicContact CZ-CG 3.92Å; F165-L169 WeakPolarHBondContact O-CB 3.35Å; F165-L169 WeakPolarHBondContact O-CG 3.32Å; F165-L169 PolarHBondContact O-N 3.16Å
166E48.2Very low58.6Low113 Ų11375.1 Ų75.153%0.52838%0.381SS..Hα-helixtrans-61.3-41.7172.9-78.3176.3-167.700111.4K162 L164 L168 L169 S170K162-E166 WeakPolarHBondContact O-CB 3.49Å; K162-E166 VanDerWaalsContact O-CG 3.3Å; K162-E166 WeakPolarHBondContact O-CG 3.41Å; K162-E166 PolarHBondContact O-N 2.92Å; L164-E166 VanDerWaalsContact C-N 3.34Å; E166-L168 VanDerWaalsContact C-N 3.27Å; E166-L168 PolarHBondContact O-N 3.2Å; E166-L169 PolarHBondContact O-N 3.37Å; E166-S170 PolarHBondContact O-N 3.11Å; E166-S170 VanDerWaalsContact O-N 3.08Å
167S53.8Low61.4Low61 Ų6174.3 Ų74.343%0.42736%0.361SS..Hα-helixtrans-63.7-32.5173.283.20000113.3D163 L164 F165 S170D163-S167 PolarHBondContact O-N 3.25Å; L164-S167 PolarHBondContact O-N 3.4Å; L164-S167 PolarHBondContact O-OG 2.7Å; F165-S167 VanDerWaalsContact C-N 3.34Å; F165-S167 PolarHBondContact O-N 2.83Å; S167-S170 PolarHBondContact O-OG 3.05Å; S167-S170 VanDerWaalsContact O-OG 3.05Å
168L50.9Low64.1Low21 Ų2168.4 Ų68.411%0.1133%0.331CS..Hα-helixtrans-75.6-39.4173.6-98161.4000111.2L7 H10 R136 L164 F165 E166 S170 L171L7-L168 HydrophobicContact CD2-CD1 3.87Å; L7-L168 HydrophobicContact CD2-CD2 3.65Å; L7-L168 HydrophobicContact CD2-CG 3.57Å; H10-L168 HydrophobicContact CB-CD1 3.57Å; R136-L168 PolarHBondContact NH2-O 3.03Å; L164-L168 PolarHBondContact O-N 2.87Å; F165-L168 CarbonylContact O-C 3.5Å; F165-L168 WeakPolarHBondContact O-CA 3.45Å; F165-L168 WeakPolarHBondContact O-CB 3.49Å; F165-L168 PolarHBondContact O-N 2.64Å; F165-L168 VanDerWaalsContact O-N 3.11Å; E166-L168 VanDerWaalsContact C-N 3.27Å; E166-L168 PolarHBondContact O-N 3.2Å; L168-S170 VanDerWaalsContact C-N 3.27Å; L168-S170 PolarHBondContact O-N 2.7Å; L168-L171 HydrophobicContact CD2-CD1 4.25Å; L168-L171 WeakPolarHBondContact O-CB 3.33Å; L168-L171 PolarHBondContact O-N 3.41Å; L168-L171 VanDerWaalsContact O-N 3.16Å
169L50.6Low66.8Low75 Ų7567.5 Ų67.539%0.39333%0.326SS..Hα-helixtrans-64.8-30.5-178.7-79.7174.1000112F165 E166 L171F165-L169 HydrophobicContact CD1-CD1 3.42Å; F165-L169 VanDerWaalsContact CD1-CD1 3.42Å; F165-L169 HydrophobicContact CD1-CD2 4.31Å; F165-L169 HydrophobicContact CD1-CG 3.7Å; F165-L169 HydrophobicContact CE1-CD1 3.39Å; F165-L169 HydrophobicContact CE1-CD2 3.64Å; F165-L169 HydrophobicContact CE1-CG 3.54Å; F165-L169 HydrophobicContact CE2-CD2 4.37Å; F165-L169 HydrophobicContact CE2-CG 4.43Å; F165-L169 HydrophobicContact CG-CD1 4.34Å; F165-L169 HydrophobicContact CG-CG 4.24Å; F165-L169 HydrophobicContact CZ-CD1 4.25Å; F165-L169 HydrophobicContact CZ-CD2 3.65Å; F165-L169 HydrophobicContact CZ-CG 3.92Å; F165-L169 WeakPolarHBondContact O-CB 3.35Å; F165-L169 WeakPolarHBondContact O-CG 3.32Å; F165-L169 PolarHBondContact O-N 3.16Å; E166-L169 PolarHBondContact O-N 3.37Å; L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 2.71Å
170S60.3Low69.1Low43 Ų4361.4 Ų61.430%0.30131%0.305SS..THydrogen-bonded Turntrans-73.2-18.6175.663.40000113.5E166 S167 L168E166-S170 PolarHBondContact O-N 3.11Å; E166-S170 VanDerWaalsContact O-N 3.08Å; S167-S170 PolarHBondContact O-OG 3.05Å; S167-S170 VanDerWaalsContact O-OG 3.05Å; L168-S170 VanDerWaalsContact C-N 3.27Å; L168-S170 PolarHBondContact O-N 2.7Å
171L72.2Confident71.4Confident44 Ų4455.5 Ų55.523%0.2330%0.296CS..SBendtrans-76.1126.9179.1-66.3164.2000110.8V73 R136 L168 L169V73-L171 HydrophobicContact CG1-CD2 4.3Å; R136-L171 PolarHBondContact NE-O 3.49Å; R136-L171 PolarHBondContact NH2-O 3.34Å; L168-L171 HydrophobicContact CD2-CD1 4.25Å; L168-L171 WeakPolarHBondContact O-CB 3.33Å; L168-L171 PolarHBondContact O-N 3.41Å; L168-L171 VanDerWaalsContact O-N 3.16Å; L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 2.71Å
172G86.5Confident73.8Confident0 Ų051.4 Ų51.40%029%0.289CS..  trans-62.9145.4162.400000110.7P74 H109 R136P74-G172 WeakPolarHBondContact CD-O 3.41Å; H109-G172 WeakPolarHBondContact NE2-CA 3.4Å; R136-G172 CarbonylContact O-C 3.18Å; R136-G172 WeakPolarHBondContact O-CA 3.46Å
173L91.4Very high76.3Confident9 Ų944.5 Ų44.55%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-141.6145176.1-58.4175.2000111.1L14 L71 K72 V73 H109 Y134 G135 R136L14-L173 HydrophobicContact CD2-CD1 3.8Å; L71-L173 HydrophobicContact CD1-CB 4.28Å; L71-L173 HydrophobicContact CD1-CD2 3.83Å; K72-L173 WeakPolarHBondContact O-CA 3.36Å; V73-L173 HydrophobicContact CG1-CD2 4.37Å; V73-L173 HydrophobicContact CG2-CD2 3.92Å; H109-L173 PolarHBondContact CE1-N 3.2Å; H109-L173 PolarHBondContact NE2-N 3.25Å; Y134-L173 HydrophobicContact CE1-CB 4.39Å; Y134-L173 HydrophobicContact CE1-CD1 4.38Å; G135-L173 CarbonylContact C-O 3.55Å; G135-L173 WeakPolarHBondContact CA-O 3.49Å; R136-L173 HydrophobicContact CB-CB 4.47Å; R136-L173 VanDerWaalsContact CZ-CD1 3.48Å; R136-L173 PolarHBondContact N-O 2.91Å; R136-L173 VanDerWaalsContact NH2-CG 3.27Å; R136-L173 PolarHBondContact O-N 3.44Å
174L93.1Very high78.4Confident0 Ų039 Ų390%023%0.233CC..EExtended strand (participates in β ladder)trans-131.1124.3161.8-81.9163.1000108.7L71 K72 E112 V113 Y116 Y134 L176L71-L174 CarbonylContact C-O 3.43Å; L71-L174 WeakPolarHBondContact CA-O 3.25Å; K72-L174 HydrophobicContact CB-CB 4.2Å; K72-L174 PolarHBondContact N-O 2.78Å; K72-L174 PolarHBondContact O-N 3.08Å; E112-L174 HydrophobicContact CB-CD1 4.14Å; E112-L174 HydrophobicContact CG-CD1 3.63Å; V113-L174 HydrophobicContact CG2-CD1 4.17Å; V113-L174 HydrophobicContact CG2-CD2 3.9Å; V113-L174 HydrophobicContact CG2-CG 3.86Å; Y116-L174 HydrophobicContact CD2-CD1 4.38Å; Y116-L174 HydrophobicContact CD2-CD2 4.02Å; Y116-L174 HydrophobicContact CE2-CD1 4.49Å; Y134-L174 CarbonylContact O-C 3.55Å; Y134-L174 WeakPolarHBondContact O-CA 3.43Å; L174-L176 HydrophobicContact CB-CD2 4.45Å; L174-L176 HydrophobicContact CB-CG 4.3Å; L174-L176 HydrophobicContact CD2-CD2 4.43Å
175L94.5Very high80.6Confident0 Ų038.3 Ų38.30%023%0.229CC..EExtended strand (participates in β ladder)trans-100.7114168.7-60.6-176.4000108.2V15 L50 I69 V70 L71 F133 Y134V15-L175 HydrophobicContact CG2-CD1 3.9Å; V15-L175 HydrophobicContact CG2-CD2 4.41Å; L50-L175 HydrophobicContact CD1-CD2 4.32Å; I69-L175 HydrophobicContact CD1-CB 4.47Å; I69-L175 HydrophobicContact CD1-CD1 4.35Å; I69-L175 HydrophobicContact CD1-CD2 4.16Å; V70-L175 CarbonylContact O-C 3.43Å; V70-L175 WeakPolarHBondContact O-CA 3.48Å; L71-L175 HydrophobicContact CB-CD2 3.94Å; L71-L175 HydrophobicContact CD1-CD2 3.55Å; L71-L175 HydrophobicContact CG-CD2 4.28Å; F133-L175 HydrophobicContact CB-CB 4.13Å; F133-L175 PolarHBondContact N-O 3.46Å; Y134-L175 HydrophobicContact CD1-CD1 4.48Å; Y134-L175 HydrophobicContact CD1-CG 4.4Å; Y134-L175 HydrophobicContact CG-CD1 4.48Å; Y134-L175 PolarHBondContact N-O 3.33Å; Y134-L175 PolarHBondContact O-N 3.39Å
176L95.9Very high82.9Confident9 Ų936.8 Ų36.85%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-120159-174.6-57.1177.9000110.6V70 K72 Y116 P130 A131 C132 L174V70-L176 HydrophobicContact CB-CB 4.32Å; V70-L176 PolarHBondContact N-O 2.91Å; V70-L176 PolarHBondContact O-N 3.19Å; K72-L176 HydrophobicContact CD-CD1 3.91Å; K72-L176 HydrophobicContact CG-CD1 4.32Å; Y116-L176 HydrophobicContact CD1-CD2 4.26Å; Y116-L176 HydrophobicContact CD2-CD2 4.23Å; Y116-L176 HydrophobicContact CE1-CD2 3.81Å; Y116-L176 HydrophobicContact CE2-CD1 4.17Å; Y116-L176 HydrophobicContact CE2-CD2 3.79Å; Y116-L176 HydrophobicContact CG-CD2 4.44Å; P130-L176 HydrophobicContact CB-CB 4.35Å; A131-L176 CarbonylContact O-C 3.47Å; A131-L176 VanDerWaalsContact O-CA 3.31Å; A131-L176 WeakPolarHBondContact O-CA 3.42Å; C132-L176 HydrophobicContact CB-CD2 3.83Å; L174-L176 HydrophobicContact CB-CD2 4.45Å; L174-L176 HydrophobicContact CB-CG 4.3Å; L174-L176 HydrophobicContact CD2-CD2 4.43Å
177E95.4Very high84.9Confident78 Ų7838.8 Ų38.836%0.36423%0.232SC..EExtended strand (participates in β ladder)trans-54.8137.1169.4-174.3177.2-168.600111.9P130 A131 F133 L179P130-E177 HydrophobicContact CB-CB 4.08Å; A131-E177 HydrophobicContact CB-CB 4.04Å; A131-E177 PolarHBondContact N-OE2 2.72Å; A131-E177 PolarHBondContact O-N 2.67Å; F133-E177 HydrophobicContact CE2-CB 4.33Å; F133-E177 HydrophobicContact CZ-CB 4.27Å; E177-L179 HydrophobicContact CG-CD2 3.87Å; E177-L179 HydrophobicContact CG-CG 4.23Å
178D95.5Very high86.7Confident26 Ų2637.6 Ų37.614%0.13922%0.221CC..  trans-85.6112.4169.4175.721.7000110.6L49 S68 V70 T180L49-D178 HydrophobicContact CD1-CB 4.17Å; L49-D178 VanDerWaalsContact CD1-CG 3.49Å; L49-D178 VanDerWaalsContact CD1-OD2 3.29Å; L49-D178 WeakPolarHBondContact CD1-OD2 3.48Å; S68-D178 VanDerWaalsContact CB-OD2 3.24Å; S68-D178 WeakPolarHBondContact CB-OD2 3.23Å; S68-D178 WeakPolarHBondContact O-CB 3.4Å; S68-D178 PolarHBondContact OG-OD2 2.81Å; V70-D178 HydrophobicContact CG2-CB 4.29Å; D178-T180 VanDerWaalsContact CG-OG1 3.3Å; D178-T180 VanDerWaalsContact OD1-CB 3.23Å; D178-T180 WeakPolarHBondContact OD1-CB 3.22Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.34Å; D178-T180 PolarHBondContact OD1-N 2.99Å; D178-T180 PolarHBondContact OD1-OG1 3.31Å; D178-T180 PolarHBondContact OD2-OG1 3.46Å
179L95.7Very high88.6Confident17 Ų1737 Ų379%0.08922%0.218CC..  trans-102.67.2178.4-62.2173.2000112.8P130 E177 G181 S182 A183 L298 V312 A313P130-L179 HydrophobicContact CB-CD1 4.19Å; P130-L179 HydrophobicContact CG-CD1 4.02Å; E177-L179 HydrophobicContact CG-CD2 3.87Å; E177-L179 HydrophobicContact CG-CG 4.23Å; L179-G181 PolarHBondContact O-N 3.08Å; L179-S182 PolarHBondContact O-N 2.76Å; L179-S182 VanDerWaalsContact O-N 3.11Å; L179-S182 PolarHBondContact O-OG 3.25Å; L179-A183 HydrophobicContact CB-CB 4.12Å; L179-A183 WeakPolarHBondContact O-CB 3.47Å; L179-A183 PolarHBondContact O-N 2.89Å; L179-L298 HydrophobicContact CB-CD1 4.23Å; L179-L298 HydrophobicContact CD1-CD1 3.9Å; L179-V312 HydrophobicContact CD1-CG1 4.22Å; L179-V312 HydrophobicContact CD2-CG1 4.22Å; L179-A313 HydrophobicContact CD1-CB 3.52Å
180T91.9Very high90.7Very high66 Ų6633.7 Ų33.741%0.40520%0.201SC..THydrogen-bonded Turntrans-63.1-25.8-174.4580000113.9D178 K301D178-T180 VanDerWaalsContact CG-OG1 3.3Å; D178-T180 VanDerWaalsContact OD1-CB 3.23Å; D178-T180 WeakPolarHBondContact OD1-CB 3.22Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.34Å; D178-T180 PolarHBondContact OD1-N 2.99Å; D178-T180 PolarHBondContact OD1-OG1 3.31Å; D178-T180 PolarHBondContact OD2-OG1 3.46Å; T180-K301 PolarHBondContact O-NZ 3.44Å
181G92Very high92.3Very high67 Ų6735.2 Ų35.269%0.69121%0.212SC*.THydrogen-bonded Turntrans-76.3-31.3175.600000114.1L179L179-G181 PolarHBondContact O-N 3.08Å
182S94.9Very high93.2Very high59 Ų5933.8 Ų33.841%0.41321%0.208SC..THydrogen-bonded Turntrans-112.4-15.8-171.758.90000114.2L179 K301L179-S182 PolarHBondContact O-N 2.76Å; L179-S182 VanDerWaalsContact O-N 3.11Å; L179-S182 PolarHBondContact O-OG 3.25Å; S182-K301 WeakPolarHBondContact O-CB 3.24Å; S182-K301 PolarHBondContact O-N 3.31Å
183A96.9Very high93.8Very high6 Ų634.1 Ų34.15%0.0521%0.21CC..EExtended strand (participates in β ladder)trans-129.9157.1-175.500000113.5L179 L298 F299 V312L179-A183 HydrophobicContact CB-CB 4.12Å; L179-A183 WeakPolarHBondContact O-CB 3.47Å; L179-A183 PolarHBondContact O-N 2.89Å; A183-L298 HydrophobicContact CB-CB 3.91Å; A183-F299 CarbonylContact C-O 3.43Å; A183-F299 WeakPolarHBondContact CA-O 3.18Å; A183-F299 WeakPolarHBondContact CB-O 3.34Å; A183-V312 HydrophobicContact CB-CB 3.92Å; A183-V312 HydrophobicContact CB-CG1 3.98Å; A183-V312 HydrophobicContact CB-CG2 4.14Å
184A95Very high94.1Very high13 Ų1337 Ų3711%0.10723%0.225CC..EExtended strand (participates in β ladder)trans-140.3147.5178.800000110.9F299 K301 P307A184-F299 PolarHBondContact N-O 2.85Å; A184-F299 PolarHBondContact O-N 3.16Å; A184-K301 HydrophobicContact CB-CB 4.37Å; A184-K301 HydrophobicContact CB-CG 4.17Å; A184-P307 HydrophobicContact CB-CB 4.2Å
185L93.1Very high94.3Very high52 Ų5239.9 Ų39.927%0.27224%0.24SC..  trans-85.8160168.2-69.8169000110E187 N295 I297 L298L185-E187 PolarHBondContact O-N 3.12Å; L185-N295 VanDerWaalsContact CD2-O 3.32Å; L185-N295 WeakPolarHBondContact CD2-O 3.21Å; L185-I297 WeakPolarHBondContact CD2-O 3.45Å; L185-L298 HydrophobicContact CD2-CD2 3.6Å; L185-L298 HydrophobicContact CD2-CG 4.41Å; L185-L298 HydrophobicContact CG-CD2 3.69Å
186I93.4Very high94.5Very high13 Ų1342 Ų427%0.06726%0.258CS..  trans-77.8108.7162.6-57.1-179.8000107.6D188 M193 K197 T294 F299 P307I186-D188 VanDerWaalsContact C-N 3.34Å; I186-D188 WeakPolarHBondContact CG2-O 2.86Å; I186-D188 PolarHBondContact O-N 3.29Å; I186-M193 HydrophobicContact CD1-CG 3.84Å; I186-K197 HydrophobicContact CD1-CD 4.01Å; I186-T294 HydrophobicContact CB-CG2 3.46Å; I186-T294 VanDerWaalsContact CB-CG2 3.46Å; I186-T294 HydrophobicContact CD1-CG2 3.8Å; I186-T294 HydrophobicContact CG1-CG2 3.96Å; I186-T294 HydrophobicContact CG2-CG2 4.03Å; I186-F299 HydrophobicContact CD1-CD2 4.41Å; I186-F299 HydrophobicContact CD1-CE2 3.88Å; I186-F299 HydrophobicContact CG1-CD2 4.1Å; I186-F299 HydrophobicContact CG1-CE2 3.99Å; I186-P307 HydrophobicContact CG1-CB 4.43Å; I186-P307 HydrophobicContact CG1-CG 3.97Å
187E89.1Confident94.6Very high155 Ų15542.4 Ų42.472%0.72426%0.259SS*.SBendtrans-67.2-35.4-177.9-64.4-171.617000113.1L185L185-E187 PolarHBondContact O-N 3.12Å
188D92.7Very high94.8Very high37 Ų3738.7 Ų38.720%0.19824%0.242CC..  trans-98.890178.6-166.6-17000110.9I186 S190 S191 R410I186-D188 VanDerWaalsContact C-N 3.34Å; I186-D188 WeakPolarHBondContact CG2-O 2.86Å; I186-D188 PolarHBondContact O-N 3.29Å; D188-S190 PolarHBondContact O-N 3.1Å; D188-S190 WeakPolarHBondContact OD1-CB 3.17Å; D188-S190 PolarHBondContact OD1-N 3.4Å; D188-S190 PolarHBondContact OD1-OG 3.19Å; D188-S191 WeakPolarHBondContact O-CB 3.37Å; D188-S191 PolarHBondContact O-N 3.18Å; D188-S191 PolarHBondContact O-OG 2.9Å; D188-R410 VanDerWaalsContact CG-CZ 3.48Å; D188-R410 IonicContact OD1-CZ 3.06Å; D188-R410 IonicContact OD1-NE 2.78Å; D188-R410 PolarHBondContact OD1-NE 3.38Å; D188-R410 IonicContact OD2-CZ 2.79Å; D188-R410 VanDerWaalsContact OD2-CZ 3.25Å; D188-R410 IonicContact OD2-NE 3.53Å; D188-R410 PolarHBondContact OD2-NE 2.99Å; D188-R410 IonicContact OD2-NH2 2.66Å; D188-R410 PolarHBondContact OD2-NH2 3Å
189I91.7Very high95Very high7 Ų739.5 Ų39.54%0.03625%0.245CC..THydrogen-bonded Turntrans-59.2-20.8178.360.9148000113.8S191 W293 T294 N295 V399 I400 M414 R417I189-S191 VanDerWaalsContact C-N 3.33Å; I189-W293 HydrophobicContact CD1-CZ3 4.31Å; I189-W293 HydrophobicContact CG2-CZ3 4.49Å; I189-T294 HydrophobicContact CG2-CG2 4.46Å; I189-N295 WeakPolarHBondContact CG2-OD1 3.05Å; I189-V399 HydrophobicContact CD1-CB 4.13Å; I189-V399 HydrophobicContact CD1-CG1 3.44Å; I189-V399 VanDerWaalsContact CD1-CG1 3.44Å; I189-V399 HydrophobicContact CG1-CG1 4.01Å; I189-V399 HydrophobicContact CG2-CG1 4.01Å; I189-I400 HydrophobicContact CD1-CG1 3.93Å; I189-M414 HydrophobicContact CD1-CE 4.26Å; I189-M414 HydrophobicContact CD1-SD 4.33Å; I189-R417 PolarHBondContact O-NH1 3.38Å; I189-R417 PolarHBondContact O-NH2 2.92Å
190S93.5Very high95.1Very high7 Ų740 Ų405%0.04925%0.248CC..THydrogen-bonded Turntrans-76.2-23.8177.778.50000111.8D188 G192 R410 E413 R417D188-S190 PolarHBondContact O-N 3.1Å; D188-S190 WeakPolarHBondContact OD1-CB 3.17Å; D188-S190 PolarHBondContact OD1-N 3.4Å; D188-S190 PolarHBondContact OD1-OG 3.19Å; S190-G192 PolarHBondContact O-N 3.32Å; S190-R410 WeakPolarHBondContact CB-O 3.3Å; S190-R410 WeakPolarHBondContact OG-CA 3.47Å; S190-R410 WeakPolarHBondContact OG-CG 3.48Å; S190-E413 WeakPolarHBondContact O-CG 3.36Å; S190-R417 PolarHBondContact O-NH2 3.37Å
191S93.4Very high95.4Very high75 Ų7536.9 Ų36.952%0.52423%0.229SC..THydrogen-bonded Turntrans-60.8-30.1177.865.50000113.2D188 I189D188-S191 WeakPolarHBondContact O-CB 3.37Å; D188-S191 PolarHBondContact O-N 3.18Å; D188-S191 PolarHBondContact O-OG 2.9Å; I189-S191 VanDerWaalsContact C-N 3.33Å
192G92.7Very high95.7Very high14 Ų1433.7 Ų33.714%0.14420%0.196CC..  trans71.3159.6-176.100000113S190 S336S190-G192 PolarHBondContact O-N 3.32Å; G192-S336 CarbonylContact C-O 3.51Å; G192-S336 VanDerWaalsContact CA-O 3.28Å; G192-S336 WeakPolarHBondContact CA-O 3.47Å
193M97.6Very high95.9Very high7 Ų732 Ų323%0.03418%0.184CC..  trans-81.5145175-63.3-170.1-68.600111.3I186 K197 V198 I297 F299 L332 S336 T337I186-M193 HydrophobicContact CD1-CG 3.84Å; M193-K197 HydrophobicContact CB-CB 4.1Å; M193-K197 HydrophobicContact CB-CD 4.37Å; M193-K197 HydrophobicContact CG-CB 4.43Å; M193-K197 HydrophobicContact CG-CD 4.43Å; M193-K197 HydrophobicContact SD-CB 4.24Å; M193-V198 HydrophobicContact CB-CG2 3.78Å; M193-V198 HydrophobicContact CE-CG2 3.76Å; M193-I297 HydrophobicContact SD-CD1 4.24Å; M193-F299 HydrophobicContact SD-CE2 4.48Å; M193-F299 HydrophobicContact SD-CZ 3.79Å; M193-L332 HydrophobicContact CE-CD1 3.22Å; M193-L332 HydrophobicContact CE-CD2 3.96Å; M193-L332 HydrophobicContact CE-CG 3.47Å; M193-L332 VanDerWaalsContact CE-CG 3.47Å; M193-L332 HydrophobicContact SD-CD1 4.41Å; M193-S336 VanDerWaalsContact CE-CB 3.47Å; M193-S336 PolarHBondContact N-O 2.89Å; M193-T337 HydrophobicContact CB-CG2 4.47Å
194N97.4Very high95.9Very high68 Ų6832.2 Ų32.236%0.36418%0.184SC..  trans-77.7174.1168.769.424.3000111.4A196 K197 V198 D309N194-A196 VanDerWaalsContact C-N 3.33Å; N194-A196 PolarHBondContact O-N 3.49Å; N194-A196 PolarHBondContact OD1-N 3.38Å; N194-K197 PolarHBondContact O-N 3.14Å; N194-K197 WeakPolarHBondContact OD1-CB 3.32Å; N194-K197 WeakPolarHBondContact OD1-CG 3.36Å; N194-K197 PolarHBondContact OD1-N 3.41Å; N194-V198 WeakPolarHBondContact O-CG2 3.45Å; N194-V198 PolarHBondContact O-N 3.46Å; N194-D309 PolarHBondContact ND2-OD1 2.81Å; N194-D309 PolarHBondContact OD1-OD1 3.03Å
195L98.6Very high96.1Very high62 Ų6231.7 Ų31.733%0.32518%0.18SC..Hα-helixtrans-63.3-37.5-177.2-174.960.4000112.8V198 M199 F341 H345 V349L195-V198 PolarHBondContact O-N 3.17Å; L195-M199 HydrophobicContact CD1-CE 3.82Å; L195-M199 HydrophobicContact CD1-CG 4.03Å; L195-M199 HydrophobicContact CG-CE 4.48Å; L195-M199 HydrophobicContact CG-CG 4.18Å; L195-M199 WeakPolarHBondContact O-CB 3.36Å; L195-M199 WeakPolarHBondContact O-CG 3.49Å; L195-M199 PolarHBondContact O-N 3.3Å; L195-F341 HydrophobicContact CB-CE2 3.98Å; L195-F341 HydrophobicContact CD1-CE2 4.12Å; L195-F341 HydrophobicContact CD1-CZ 3.89Å; L195-H345 HydrophobicContact CD1-CB 3.99Å; L195-V349 HydrophobicContact CD1-CG2 3.9Å
196A98.7Very high96.3Very high45 Ų4529.2 Ų29.237%0.37217%0.167SC..Hα-helixtrans-64.4-47.2-178.400000111.7N194 M199 D200 D309N194-A196 VanDerWaalsContact C-N 3.33Å; N194-A196 PolarHBondContact O-N 3.49Å; N194-A196 PolarHBondContact OD1-N 3.38Å; A196-M199 PolarHBondContact O-N 2.81Å; A196-D200 PolarHBondContact O-N 2.89Å; A196-D309 HydrophobicContact CB-CB 3.77Å; A196-D309 VanDerWaalsContact CB-OD2 3.27Å; A196-D309 WeakPolarHBondContact CB-OD2 3.4Å
197K98.5Very high96.5Very high16 Ų1632.5 Ų32.57%0.0718%0.18CC..Hα-helixtrans-58.3-48.5173.9-72.5172.3168.338.40111.7I186 M193 N194 M199 D200 V201 F299 P307 D308 D309I186-K197 HydrophobicContact CD1-CD 4.01Å; M193-K197 HydrophobicContact CB-CB 4.1Å; M193-K197 HydrophobicContact CB-CD 4.37Å; M193-K197 HydrophobicContact CG-CB 4.43Å; M193-K197 HydrophobicContact CG-CD 4.43Å; M193-K197 HydrophobicContact SD-CB 4.24Å; N194-K197 PolarHBondContact O-N 3.14Å; N194-K197 WeakPolarHBondContact OD1-CB 3.32Å; N194-K197 WeakPolarHBondContact OD1-CG 3.36Å; N194-K197 PolarHBondContact OD1-N 3.41Å; K197-M199 VanDerWaalsContact C-N 3.34Å; K197-M199 PolarHBondContact O-N 2.88Å; K197-D200 PolarHBondContact O-N 3.46Å; K197-V201 WeakPolarHBondContact O-CG2 3.42Å; K197-V201 PolarHBondContact O-N 3.25Å; K197-F299 HydrophobicContact CB-CE1 3.67Å; K197-F299 HydrophobicContact CB-CZ 4Å; K197-F299 HydrophobicContact CD-CD1 4.38Å; K197-F299 HydrophobicContact CD-CE1 3.98Å; K197-F299 HydrophobicContact CD-CE2 4.49Å; K197-F299 HydrophobicContact CD-CZ 4.03Å; K197-F299 HydrophobicContact CG-CD1 3.97Å; K197-F299 HydrophobicContact CG-CE1 3.5Å; K197-F299 HydrophobicContact CG-CZ 4Å; K197-P307 PolarHBondContact NZ-O 3.37Å; K197-P307 VanDerWaalsContact NZ-O 3.13Å; K197-D308 WeakPolarHBondContact CE-O 3.17Å; K197-D308 PolarHBondContact NZ-O 3.04Å; K197-D309 HydrophobicContact CG-CB 4.22Å; K197-D309 IonicContact NZ-OD1 2.79Å; K197-D309 PolarHBondContact NZ-OD1 3.42Å
198V98.8Very high96.8Very high0 Ų025.1 Ų25.10%015%0.146CC..Hα-helixtrans-62.2-41.2179.9173.30000111.5M193 N194 L195 V201 A202 L333 T337 F341 V349M193-V198 HydrophobicContact CB-CG2 3.78Å; M193-V198 HydrophobicContact CE-CG2 3.76Å; N194-V198 WeakPolarHBondContact O-CG2 3.45Å; N194-V198 PolarHBondContact O-N 3.46Å; L195-V198 PolarHBondContact O-N 3.17Å; V198-V201 PolarHBondContact O-N 2.78Å; V198-A202 WeakPolarHBondContact O-CB 3.48Å; V198-A202 PolarHBondContact O-N 2.96Å; V198-L333 HydrophobicContact CG1-CD2 4.05Å; V198-T337 HydrophobicContact CG2-CG2 3.75Å; V198-F341 HydrophobicContact CB-CZ 3.99Å; V198-F341 HydrophobicContact CG1-CE1 4.38Å; V198-F341 HydrophobicContact CG1-CZ 4.13Å; V198-F341 HydrophobicContact CG2-CE1 4.17Å; V198-F341 HydrophobicContact CG2-CE2 4.43Å; V198-F341 HydrophobicContact CG2-CZ 3.76Å; V198-V349 HydrophobicContact CG1-CB 4.37Å; V198-V349 HydrophobicContact CG1-CG1 3.65Å; V198-V349 HydrophobicContact CG1-CG2 3.76Å
199M98.6Very high97Very high44 Ų4423.3 Ų23.322%0.21714%0.137CC..Hα-helixtrans-67.2-35.6177.9-74-67.7-172.700112.5L195 A196 K197 A202 S203 V349 R352L195-M199 HydrophobicContact CD1-CE 3.82Å; L195-M199 HydrophobicContact CD1-CG 4.03Å; L195-M199 HydrophobicContact CG-CE 4.48Å; L195-M199 HydrophobicContact CG-CG 4.18Å; L195-M199 WeakPolarHBondContact O-CB 3.36Å; L195-M199 WeakPolarHBondContact O-CG 3.49Å; L195-M199 PolarHBondContact O-N 3.3Å; A196-M199 PolarHBondContact O-N 2.81Å; K197-M199 VanDerWaalsContact C-N 3.34Å; K197-M199 PolarHBondContact O-N 2.88Å; M199-A202 PolarHBondContact O-N 2.89Å; M199-S203 PolarHBondContact O-N 2.96Å; M199-V349 HydrophobicContact CE-CB 4.48Å; M199-V349 HydrophobicContact CE-CG2 3.87Å; M199-V349 HydrophobicContact SD-CG2 4.35Å; M199-R352 HydrophobicContact CE-CB 4.08Å; M199-R352 HydrophobicContact CE-CG 4.36Å; M199-R352 HydrophobicContact SD-CB 3.87Å; M199-R352 HydrophobicContact SD-CG 3.75Å
200D98.5Very high97.3Very high27 Ų2723.7 Ų23.714%0.14414%0.14CC..Hα-helixtrans-65.3-45.3175.5-149.459.3000110.8A196 K197 A202 S203 I204 K310 V311A196-D200 PolarHBondContact O-N 2.89Å; K197-D200 PolarHBondContact O-N 3.46Å; D200-A202 PolarHBondContact O-N 3.45Å; D200-S203 WeakPolarHBondContact O-CB 3.34Å; D200-S203 PolarHBondContact O-N 3.32Å; D200-I204 WeakPolarHBondContact O-CG1 3.48Å; D200-I204 PolarHBondContact O-N 2.87Å; D200-I204 VanDerWaalsContact O-N 3.09Å; D200-K310 WeakPolarHBondContact OD1-CD 3.26Å; D200-K310 IonicContact OD1-NZ 2.74Å; D200-K310 PolarHBondContact OD1-NZ 3.37Å; D200-K310 WeakPolarHBondContact OD2-CA 3.32Å; D200-V311 HydrophobicContact CB-CG2 4.34Å; D200-V311 PolarHBondContact OD2-N 2.85Å
201V98.5Very high97.3Very high0 Ų024.2 Ų24.20%014%0.141CC..Hα-helixtrans-62.6-43.3174.4-179.90000111.4K197 V198 S203 I204 L205 L292 I297 V311 L332K197-V201 WeakPolarHBondContact O-CG2 3.42Å; K197-V201 PolarHBondContact O-N 3.25Å; V198-V201 PolarHBondContact O-N 2.78Å; V201-S203 VanDerWaalsContact C-N 3.25Å; V201-S203 PolarHBondContact O-N 3.41Å; V201-I204 WeakPolarHBondContact O-CB 3.41Å; V201-I204 PolarHBondContact O-N 2.67Å; V201-I204 VanDerWaalsContact O-N 3.14Å; V201-L205 PolarHBondContact O-N 3.21Å; V201-L292 HydrophobicContact CG1-CD2 3.78Å; V201-L292 HydrophobicContact CG1-CG 4.48Å; V201-I297 HydrophobicContact CG1-CD1 4.49Å; V201-I297 HydrophobicContact CG2-CD1 3.94Å; V201-I297 HydrophobicContact CG2-CG2 4.27Å; V201-V311 HydrophobicContact CG2-CG2 3.72Å; V201-L332 HydrophobicContact CB-CD2 3.92Å; V201-L332 HydrophobicContact CG1-CD1 4.39Å; V201-L332 HydrophobicContact CG1-CD2 3.52Å
202A98.5Very high97.4Very high0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-60.5-35.7176.300000112.2V198 M199 D200 A206 L329 V349 M356V198-A202 WeakPolarHBondContact O-CB 3.48Å; V198-A202 PolarHBondContact O-N 2.96Å; M199-A202 PolarHBondContact O-N 2.89Å; D200-A202 PolarHBondContact O-N 3.45Å; A202-A206 WeakPolarHBondContact O-CB 3.49Å; A202-A206 PolarHBondContact O-N 3.43Å; A202-L329 HydrophobicContact CB-CD1 4.36Å; A202-V349 HydrophobicContact CB-CG1 4.35Å; A202-M356 HydrophobicContact CB-CE 4.04Å
203S98.2Very high97.5Very high25 Ų2522 Ų2218%0.17512%0.12CC..Hα-helixtrans-65.8-41.9174.5-168.50000111.9M199 D200 V201 A206 K207 M356M199-S203 PolarHBondContact O-N 2.96Å; D200-S203 WeakPolarHBondContact O-CB 3.34Å; D200-S203 PolarHBondContact O-N 3.32Å; V201-S203 VanDerWaalsContact C-N 3.25Å; V201-S203 PolarHBondContact O-N 3.41Å; S203-A206 PolarHBondContact O-N 2.88Å; S203-K207 WeakPolarHBondContact O-CG 3.34Å; S203-K207 PolarHBondContact O-N 3.22Å; S203-M356 VanDerWaalsContact CA-CE 3.49Å
204I98.2Very high97.4Very high10 Ų1024 Ų245%0.05113%0.133CC..Hα-helixtrans-63-45.4176.4-68.7162.7000111I127 P128 D200 V201 A206 K207 L208 V311 L314I127-I204 HydrophobicContact CB-CG2 4.25Å; I127-I204 HydrophobicContact CG2-CG2 4Å; P128-I204 HydrophobicContact CG-CD1 3.5Å; P128-I204 VanDerWaalsContact CG-CD1 3.5Å; P128-I204 HydrophobicContact CG-CG1 4Å; P128-I204 HydrophobicContact CG-CG2 4.35Å; D200-I204 WeakPolarHBondContact O-CG1 3.48Å; D200-I204 PolarHBondContact O-N 2.87Å; D200-I204 VanDerWaalsContact O-N 3.09Å; V201-I204 WeakPolarHBondContact O-CB 3.41Å; V201-I204 PolarHBondContact O-N 2.67Å; V201-I204 VanDerWaalsContact O-N 3.14Å; I204-A206 VanDerWaalsContact C-N 3.35Å; I204-A206 PolarHBondContact O-N 3.01Å; I204-K207 WeakPolarHBondContact O-CB 3.39Å; I204-K207 PolarHBondContact O-N 3.37Å; I204-L208 PolarHBondContact O-N 3.28Å; I204-V311 HydrophobicContact CD1-CB 3.53Å; I204-V311 HydrophobicContact CD1-CG1 3.6Å; I204-V311 HydrophobicContact CD1-CG2 3.93Å; I204-L314 HydrophobicContact CG2-CD1 3.69Å; I204-L314 HydrophobicContact CG2-CG 4.36Å
205L97.9Very high97.1Very high2 Ų222.4 Ų22.41%0.0113%0.125CC..Hα-helixtrans-60.6-43.6175.2-71.5178.8000111.9V201 K207 L208 H209 L292 D328 L329 Y353V201-L205 PolarHBondContact O-N 3.21Å; L205-K207 VanDerWaalsContact C-N 3.28Å; L205-K207 PolarHBondContact O-N 3.31Å; L205-L208 PolarHBondContact O-N 2.81Å; L205-H209 VanDerWaalsContact O-CB 3.31Å; L205-H209 WeakPolarHBondContact O-CB 3.17Å; L205-H209 PolarHBondContact O-N 2.67Å; L205-H209 PolarHBondContact O-ND1 3.43Å; L205-L292 HydrophobicContact CD1-CD2 3.72Å; L205-L292 HydrophobicContact CD2-CD2 3.9Å; L205-L292 HydrophobicContact CG-CD2 4.06Å; L205-D328 HydrophobicContact CD1-CB 4.14Å; L205-D328 HydrophobicContact CD2-CB 4.27Å; L205-L329 HydrophobicContact CD1-CB 4.28Å; L205-L329 HydrophobicContact CD1-CD1 4.45Å; L205-Y353 HydrophobicContact CB-CD2 4.3Å; L205-Y353 HydrophobicContact CB-CE2 4.03Å
206A98Very high96.7Very high0 Ų029.2 Ų29.20%015%0.152CC..Hα-helixtrans-60.6-37.9176.700000112.1A202 S203 I204 C210 Y353 M356 L357 F360A202-A206 WeakPolarHBondContact O-CB 3.49Å; A202-A206 PolarHBondContact O-N 3.43Å; S203-A206 PolarHBondContact O-N 2.88Å; I204-A206 VanDerWaalsContact C-N 3.35Å; I204-A206 PolarHBondContact O-N 3.01Å; A206-C210 VanDerWaalsContact O-CB 3.25Å; A206-C210 WeakPolarHBondContact O-CB 3.09Å; A206-C210 PolarHBondContact O-N 2.95Å; A206-Y353 HydrophobicContact CB-CD2 4.01Å; A206-Y353 HydrophobicContact CB-CE2 4.03Å; A206-M356 HydrophobicContact CB-CB 3.68Å; A206-M356 HydrophobicContact CB-CE 4.5Å; A206-L357 HydrophobicContact CB-CB 4.36Å; A206-L357 WeakPolarHBondContact O-CD1 3.34Å; A206-F360 HydrophobicContact CB-CD2 3.94Å; A206-F360 HydrophobicContact CB-CE2 3.87Å
207K97.3Very high96.2Very high81 Ų8128.5 Ų28.535%0.35214%0.143SC..Hα-helixtrans-67.3-46174.4-71.5173.5-177176.40112.5P126 S203 I204 L205 H209 C210 W211 F360P126-K207 HydrophobicContact CB-CB 4.04Å; P126-K207 HydrophobicContact CB-CD 4.34Å; P126-K207 HydrophobicContact CG-CB 4.04Å; P126-K207 WeakPolarHBondContact O-CD 3.17Å; S203-K207 WeakPolarHBondContact O-CG 3.34Å; S203-K207 PolarHBondContact O-N 3.22Å; I204-K207 WeakPolarHBondContact O-CB 3.39Å; I204-K207 PolarHBondContact O-N 3.37Å; L205-K207 VanDerWaalsContact C-N 3.28Å; L205-K207 PolarHBondContact O-N 3.31Å; K207-H209 VanDerWaalsContact C-N 3.34Å; K207-H209 PolarHBondContact O-N 2.79Å; K207-C210 PolarHBondContact O-N 3.08Å; K207-W211 PolarHBondContact O-N 3.45Å; K207-F360 HydrophobicContact CB-CE2 4.48Å; K207-F360 HydrophobicContact CD-CE2 4.5Å; K207-F360 HydrophobicContact CG-CD2 3.87Å; K207-F360 HydrophobicContact CG-CE2 3.46Å; K207-F360 VanDerWaalsContact CG-CE2 3.46Å; K207-F360 HydrophobicContact CG-CZ 3.96Å
208L96.4Very high95.7Very high0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-57.8-49.2175.9-177.249.8000111.2F119 I127 I204 L205 C210 W211 C212 W317F119-L208 HydrophobicContact CE1-CD1 4.16Å; F119-L208 HydrophobicContact CZ-CD1 4.44Å; I127-L208 HydrophobicContact CD1-CD1 4.09Å; I127-L208 HydrophobicContact CG2-CB 3.63Å; I127-L208 HydrophobicContact CG2-CD1 4.08Å; I127-L208 HydrophobicContact CG2-CG 4.28Å; I204-L208 PolarHBondContact O-N 3.28Å; L205-L208 PolarHBondContact O-N 2.81Å; L208-C210 PolarHBondContact O-N 3.32Å; L208-W211 HydrophobicContact CD1-CE3 4.31Å; L208-W211 WeakPolarHBondContact O-CA 2.99Å; L208-W211 WeakPolarHBondContact O-CB 3.31Å; L208-W211 PolarHBondContact O-N 2.73Å; L208-W211 VanDerWaalsContact O-N 3.13Å; L208-C212 PolarHBondContact O-N 3.22Å; L208-C212 PolarHBondContact O-SG 3.14Å; L208-W317 HydrophobicContact CD2-CH2 3.84Å; L208-W317 HydrophobicContact CD2-CZ3 4.06Å
209H96.9Very high95.3Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-68.3-37.2-177.8-62.5160.9000111L205 K207 W211 C212 L213 V286 L287 P325 Y353 L357L205-H209 VanDerWaalsContact O-CB 3.31Å; L205-H209 WeakPolarHBondContact O-CB 3.17Å; L205-H209 PolarHBondContact O-N 2.67Å; L205-H209 PolarHBondContact O-ND1 3.43Å; K207-H209 VanDerWaalsContact C-N 3.34Å; K207-H209 PolarHBondContact O-N 2.79Å; H209-W211 VanDerWaalsContact C-N 3.32Å; H209-W211 PolarHBondContact O-N 3.23Å; H209-C212 WeakPolarHBondContact O-CB 3.12Å; H209-C212 PolarHBondContact O-N 3.43Å; H209-L213 WeakPolarHBondContact O-CG 3.25Å; H209-L213 PolarHBondContact O-N 3.4Å; H209-L213 VanDerWaalsContact O-N 3.08Å; H209-V286 HydrophobicContact CB-CB 4.33Å; H209-V286 HydrophobicContact CB-CG1 3.98Å; H209-V286 HydrophobicContact CB-CG2 4.49Å; H209-V286 VanDerWaalsContact CD2-CG2 3.4Å; H209-V286 WeakPolarHBondContact CD2-CG2 3.44Å; H209-L287 PolarHBondContact CD2-O 2.94Å; H209-L287 PolarHBondContact NE2-O 3.27Å; H209-L287 VanDerWaalsContact NE2-O 3.14Å; H209-P325 PolarHBondContact CE1-O 2.88Å; H209-Y353 AromaticContact ND1-CE2 3.58Å; H209-Y353 AromaticContact ND1-CZ 3.51Å; H209-Y353 PolarHBondContact ND1-OH 3.05Å; H209-L357 HydrophobicContact CB-CD1 3.85Å
210C96.3Very high94.9Very high15 Ų1537.6 Ų37.610%0.10118%0.184CC..Hα-helixtrans-57.9-45.1169.3175.80000111.6A206 K207 L208 L213 T214 L357 F360 V361A206-C210 VanDerWaalsContact O-CB 3.25Å; A206-C210 WeakPolarHBondContact O-CB 3.09Å; A206-C210 PolarHBondContact O-N 2.95Å; K207-C210 PolarHBondContact O-N 3.08Å; L208-C210 PolarHBondContact O-N 3.32Å; C210-L213 PolarHBondContact O-N 3.18Å; C210-T214 WeakPolarHBondContact O-CB 3.44Å; C210-T214 WeakPolarHBondContact O-CG2 3.24Å; C210-T214 PolarHBondContact O-N 3.39Å; C210-T214 VanDerWaalsContact O-N 3.08Å; C210-T214 PolarHBondContact O-OG1 3.49Å; C210-L357 HydrophobicContact CB-CD1 4.17Å; C210-F360 HydrophobicContact CB-CB 3.71Å; C210-F360 PolarHBondContact SG-O 3.36Å; C210-F360 VanDerWaalsContact SG-O 3.41Å; C210-V361 HydrophobicContact CB-CG2 4.19Å
211W95.2Very high94.1Very high18 Ų1843 Ų437%0.06821%0.213CC..Hα-helixtrans-59.1-47.7174.817688.6000111.2M118 E122 L125 P126 K207 L208 H209 L213 T214 T215 V217 W219 L287M118-W211 HydrophobicContact CG-CH2 4.24Å; M118-W211 HydrophobicContact SD-CH2 4.16Å; E122-W211 HydrophobicContact CG-CZ2 3.58Å; E122-W211 PolarHBondContact OE2-NE1 3.33Å; L125-W211 HydrophobicContact CD1-CD2 4.16Å; L125-W211 HydrophobicContact CD1-CG 4.36Å; P126-W211 HydrophobicContact CG-CB 4.25Å; K207-W211 PolarHBondContact O-N 3.45Å; L208-W211 HydrophobicContact CD1-CE3 4.31Å; L208-W211 WeakPolarHBondContact O-CA 2.99Å; L208-W211 WeakPolarHBondContact O-CB 3.31Å; L208-W211 PolarHBondContact O-N 2.73Å; L208-W211 VanDerWaalsContact O-N 3.13Å; H209-W211 VanDerWaalsContact C-N 3.32Å; H209-W211 PolarHBondContact O-N 3.23Å; W211-L213 PolarHBondContact O-N 3.13Å; W211-L213 VanDerWaalsContact O-N 3.13Å; W211-T214 PolarHBondContact O-N 3.3Å; W211-T214 VanDerWaalsContact O-N 3.15Å; W211-T215 HydrophobicContact CD2-CG2 4.05Å; W211-T215 HydrophobicContact CE3-CG2 4.28Å; W211-T215 HydrophobicContact CH2-CG2 4.12Å; W211-T215 HydrophobicContact CZ2-CG2 3.87Å; W211-T215 HydrophobicContact CZ3-CG2 4.3Å; W211-T215 WeakPolarHBondContact O-CB 3.41Å; W211-T215 WeakPolarHBondContact O-CG2 3.21Å; W211-T215 PolarHBondContact O-N 2.83Å; W211-V217 HydrophobicContact CH2-CB 4.28Å; W211-V217 HydrophobicContact CH2-CG1 4.28Å; W211-V217 HydrophobicContact CZ2-CB 4.01Å; W211-V217 HydrophobicContact CZ2-CG1 4.37Å; W211-V217 HydrophobicContact CZ2-CG2 4.12Å; W211-W219 HydrophobicContact CH2-CB 4.17Å; W211-W219 HydrophobicContact CH2-CG 4.48Å; W211-W219 HydrophobicContact CZ3-CB 4.29Å; W211-W219 HydrophobicContact CZ3-CG 4.25Å; W211-L287 HydrophobicContact CE3-CD1 4.46Å; W211-L287 HydrophobicContact CZ3-CD1 3.72Å
212C95.1Very high93.4Very high9 Ų946.9 Ų46.96%0.06123%0.231CC..Hα-helixtrans-55.3-34.9177-66.10000113.4L208 H209 W219 V286 L287L208-C212 PolarHBondContact O-N 3.22Å; L208-C212 PolarHBondContact O-SG 3.14Å; H209-C212 WeakPolarHBondContact O-CB 3.12Å; H209-C212 PolarHBondContact O-N 3.43Å; C212-W219 HydrophobicContact CB-CZ2 3.79Å; C212-W219 PolarHBondContact O-NE1 3.01Å; C212-V286 HydrophobicContact CB-CB 4.07Å; C212-V286 HydrophobicContact CB-CG1 4.13Å; C212-L287 PolarHBondContact SG-N 3.38Å; C212-L287 VanDerWaalsContact SG-N 3.39Å
213L95.3Very high92.7Very high32 Ų3248.2 Ų48.217%0.16824%0.238CC..Hα-helixtrans-86.7-17.3-175.7-64.9176.6000113.7H209 C210 W211 P284 V286 L357 V361 V365 L367H209-L213 WeakPolarHBondContact O-CG 3.25Å; H209-L213 PolarHBondContact O-N 3.4Å; H209-L213 VanDerWaalsContact O-N 3.08Å; C210-L213 PolarHBondContact O-N 3.18Å; W211-L213 PolarHBondContact O-N 3.13Å; W211-L213 VanDerWaalsContact O-N 3.13Å; L213-P284 HydrophobicContact CD1-CG 4.14Å; L213-P284 HydrophobicContact CD2-CB 3.59Å; L213-P284 HydrophobicContact CD2-CG 3.75Å; L213-V286 HydrophobicContact CD2-CG1 4.06Å; L213-V286 HydrophobicContact CG-CG1 4.16Å; L213-L357 HydrophobicContact CD1-CD1 4.3Å; L213-V361 HydrophobicContact CD1-CG2 4.18Å; L213-V365 HydrophobicContact CB-CG2 4.17Å; L213-V365 WeakPolarHBondContact O-CG2 3.06Å; L213-L367 HydrophobicContact CD1-CD2 3.99Å
214T93.7Very high91.9Very high51 Ų5149.8 Ų49.831%0.31325%0.246SC..Hα-helixtrans-125.8-13.3-171.559.70000114.1C210 W211 Q364C210-T214 WeakPolarHBondContact O-CB 3.44Å; C210-T214 WeakPolarHBondContact O-CG2 3.24Å; C210-T214 PolarHBondContact O-N 3.39Å; C210-T214 VanDerWaalsContact O-N 3.08Å; C210-T214 PolarHBondContact O-OG1 3.49Å; W211-T214 PolarHBondContact O-N 3.3Å; W211-T214 VanDerWaalsContact O-N 3.15Å; T214-Q364 HydrophobicContact CG2-CB 4.16Å
215T91.8Very high91Very high34 Ų3456.9 Ų56.921%0.20927%0.272CS..  trans-68.4154.4176.4-170.40000111.9E122 W211 V217E122-T215 PolarHBondContact OE2-OG1 3.43Å; W211-T215 HydrophobicContact CD2-CG2 4.05Å; W211-T215 HydrophobicContact CE3-CG2 4.28Å; W211-T215 HydrophobicContact CH2-CG2 4.12Å; W211-T215 HydrophobicContact CZ2-CG2 3.87Å; W211-T215 HydrophobicContact CZ3-CG2 4.3Å; W211-T215 WeakPolarHBondContact O-CB 3.41Å; W211-T215 WeakPolarHBondContact O-CG2 3.21Å; W211-T215 PolarHBondContact O-N 2.83Å; T215-V217 VanDerWaalsContact C-N 3.35Å; T215-V217 HydrophobicContact CG2-CB 4.04Å; T215-V217 WeakPolarHBondContact OG1-CG2 3.38Å; T215-V217 PolarHBondContact OG1-N 3.05Å; T215-V217 VanDerWaalsContact OG1-N 3.14Å
216K89.8Confident89.8Confident205 Ų20556.9 Ų56.989%0.89127%0.272SS*.  trans-88.5-5.2169.4-63.4-179.6-178.7175.80112.5E218K216-E218 PolarHBondContact O-N 3.46Å
217V88.5Confident88.4Confident29 Ų2959.7 Ų59.718%0.17628%0.284CS..SBendtrans-70.5127.4177.51770000110.3M118 E122 W211 T215 W219M118-V217 HydrophobicContact CG-CG1 4.45Å; E122-V217 VanDerWaalsContact CD-CG2 3.49Å; E122-V217 HydrophobicContact CG-CG2 4.37Å; E122-V217 WeakPolarHBondContact OE1-CG2 3.3Å; W211-V217 HydrophobicContact CH2-CB 4.28Å; W211-V217 HydrophobicContact CH2-CG1 4.28Å; W211-V217 HydrophobicContact CZ2-CB 4.01Å; W211-V217 HydrophobicContact CZ2-CG1 4.37Å; W211-V217 HydrophobicContact CZ2-CG2 4.12Å; T215-V217 VanDerWaalsContact C-N 3.35Å; T215-V217 HydrophobicContact CG2-CB 4.04Å; T215-V217 WeakPolarHBondContact OG1-CG2 3.38Å; T215-V217 PolarHBondContact OG1-N 3.05Å; T215-V217 VanDerWaalsContact OG1-N 3.14Å; V217-W219 HydrophobicContact CG1-CB 4.35Å; V217-W219 VanDerWaalsContact O-CD1 3.27Å; V217-W219 PolarHBondContact O-N 2.97Å
218E88.7Confident86.8Confident140 Ų14057.9 Ų57.965%0.65429%0.289SS*.  trans-75.959.9174.7-70.9-68.9167.200111.8K216 K220 Q222K216-E218 PolarHBondContact O-N 3.46Å; E218-K220 VanDerWaalsContact C-N 3.27Å; E218-K220 PolarHBondContact O-N 2.84Å; E218-Q222 WeakPolarHBondContact O-CG 2.98Å
219W90.7Very high85.3Confident10 Ų1061.4 Ų61.44%0.03831%0.308CS..G310 helixtrans-64.6-27.7-173.858.4-98.1000113.6M118 W211 C212 V217 N221 Q222 V286 L287 Q322M118-W219 HydrophobicContact SD-CB 3.5Å; M118-W219 VanDerWaalsContact SD-CB 3.5Å; W211-W219 HydrophobicContact CH2-CB 4.17Å; W211-W219 HydrophobicContact CH2-CG 4.48Å; W211-W219 HydrophobicContact CZ3-CB 4.29Å; W211-W219 HydrophobicContact CZ3-CG 4.25Å; C212-W219 HydrophobicContact CB-CZ2 3.79Å; C212-W219 PolarHBondContact O-NE1 3.01Å; V217-W219 HydrophobicContact CG1-CB 4.35Å; V217-W219 VanDerWaalsContact O-CD1 3.27Å; V217-W219 PolarHBondContact O-N 2.97Å; W219-N221 PolarHBondContact O-N 2.78Å; W219-N221 VanDerWaalsContact O-N 3.12Å; W219-Q222 PolarHBondContact O-N 2.99Å; W219-Q222 VanDerWaalsContact O-N 3.16Å; W219-V286 VanDerWaalsContact CH2-C 3.45Å; W219-L287 HydrophobicContact CD2-CD2 4.22Å; W219-L287 HydrophobicContact CD2-CG 4.05Å; W219-L287 HydrophobicContact CE3-CD1 4.46Å; W219-L287 HydrophobicContact CE3-CD2 3.4Å; W219-L287 HydrophobicContact CE3-CG 3.62Å; W219-L287 HydrophobicContact CZ3-CD2 3.81Å; W219-L287 HydrophobicContact CZ3-CG 3.98Å; W219-Q322 HydrophobicContact CH2-CG 4.35Å; W219-Q322 HydrophobicContact CZ3-CB 4.19Å; W219-Q322 HydrophobicContact CZ3-CG 4.12Å
220K88.3Confident83.5Confident102 Ų10266.6 Ų66.644%0.44334%0.339SS..G310 helixtrans-59.3-27.7-175.2-72.6179.3178.1176.30114E218E218-K220 VanDerWaalsContact C-N 3.27Å; E218-K220 PolarHBondContact O-N 2.84Å
221N83Confident82Confident141 Ų14172.5 Ų72.575%0.75437%0.365SS*.G310 helixtrans-107.23-176.8-61.8-46.7000113.4W219W219-N221 PolarHBondContact O-N 2.78Å; W219-N221 VanDerWaalsContact O-N 3.12Å
222Q83.5Confident80.7Confident81 Ų8172.9 Ų72.938%0.37937%0.368SS..THydrogen-bonded Turntrans-91.7-16.8-176.3-69.2-177.516.100113.6E218 W219E218-Q222 WeakPolarHBondContact O-CG 2.98Å; W219-Q222 PolarHBondContact O-N 2.99Å; W219-Q222 VanDerWaalsContact O-N 3.16Å
223L84.9Confident79.6Confident28 Ų2873.5 Ų73.515%0.14737%0.374CS..SBendtrans-113.2151.3-172.4-61.1172.7000111.6D114 M118 L287 I320D114-L223 HydrophobicContact CB-CD2 4.01Å; M118-L223 HydrophobicContact CE-CD1 4.08Å; L223-L287 HydrophobicContact CD1-CD2 3.3Å; L223-I320 HydrophobicContact CD1-CD1 3.94Å; L223-I320 HydrophobicContact CD1-CG1 4.01Å; L223-I320 HydrophobicContact CD1-CG2 4Å; L223-I320 HydrophobicContact CD2-CG2 3.98Å
224T81Confident78.5Confident57 Ų5775 Ų7535%0.3538%0.384SS..  trans-80.4136.5178.7-58.60000109.4M107 N111 I226M107-T224 HydrophobicContact CG-CG2 4.12Å; M107-T224 HydrophobicContact SD-CG2 4.05Å; N111-T224 PolarHBondContact OD1-N 2.89Å; T224-I226 HydrophobicContact CG2-CD1 4.12Å; T224-I226 PolarHBondContact O-N 2.94Å
225R77.8Confident77.6Confident160 Ų16073.3 Ų73.360%0.60437%0.373SS*.  trans-78.9106.3171.7-173.7175.6177.4175.4-3109.3F227R225-F227 PolarHBondContact O-N 3.45Å
226I74.5Confident77Confident2 Ų272.6 Ų72.61%0.0137%0.367CS..THydrogen-bonded Turntrans-78.1-21.8-168.5-58.6-58.5000112.9M107 L108 N111 T224 L319 E321M107-I226 HydrophobicContact CE-CD1 4.06Å; M107-I226 HydrophobicContact CE-CG2 4.19Å; M107-I226 HydrophobicContact CG-CD1 4.14Å; M107-I226 HydrophobicContact SD-CD1 4.29Å; L108-I226 HydrophobicContact CD2-CD1 4.24Å; L108-I226 HydrophobicContact CD2-CG2 3.81Å; N111-I226 HydrophobicContact CB-CD1 4.09Å; T224-I226 HydrophobicContact CG2-CD1 4.12Å; T224-I226 PolarHBondContact O-N 2.94Å; I226-L319 HydrophobicContact CG2-CD2 3.68Å; I226-E321 PolarHBondContact N-OE2 3.07Å
227F68.4Low76.8Confident58 Ų5868.5 Ų68.525%0.25435%0.346SS..THydrogen-bonded Turntrans-118.739.5-179.9-58.7-77.9000111.8R225 L319R225-F227 PolarHBondContact O-N 3.45Å; F227-L319 HydrophobicContact CE2-CD2 4.32Å; F227-L319 HydrophobicContact CZ-CD2 4.17Å
228G62.5Low76.6Confident43 Ų4370.2 Ų70.244%0.44335%0.351SS..  trans-97.9-26.4-166.500000116.3
229N65.7Low76.4Confident75 Ų7564 Ų6440%0.40132%0.322SS..SBendtrans-104.2158.2-169.472.449.7000113.7E232 A233N229-E232 VanDerWaalsContact CG-CD 3.4Å; N229-E232 PolarHBondContact ND2-OE1 3.4Å; N229-E232 PolarHBondContact ND2-OE2 3.45Å; N229-E232 WeakPolarHBondContact OD1-CB 3.4Å; N229-E232 VanDerWaalsContact OD1-CD 3.32Å; N229-E232 WeakPolarHBondContact OD1-CG 3.4Å; N229-E232 PolarHBondContact OD1-N 2.94Å; N229-A233 WeakPolarHBondContact O-CB 3.25Å; N229-A233 PolarHBondContact O-N 3.15Å
230V59.2Low76.4Confident108 Ų10863.6 Ų63.666%0.65532%0.321SS*.Hα-helixtrans-70.1-38.3-171.2177.40000112.2A233 T234V230-A233 PolarHBondContact O-N 2.89Å; V230-T234 PolarHBondContact O-N 2.8Å; V230-T234 PolarHBondContact O-OG1 2.62Å
231E63.6Low76.6Confident139 Ų13960.3 Ų60.365%0.6531%0.309SS*.Hα-helixtrans-66-44.3178.8-69.6175.7-169.900111A233 T234 H235E231-A233 VanDerWaalsContact C-N 3.34Å; E231-A233 PolarHBondContact O-N 3.06Å; E231-T234 PolarHBondContact O-N 3.19Å; E231-H235 PolarHBondContact O-N 2.98Å; E231-H235 PolarHBondContact O-ND1 3.06Å
232E68.1Low77Confident27 Ų2755.9 Ų55.913%0.12629%0.286CS..Hα-helixtrans-60.8-43.2172.3-77.3166.2-172.400111.7I99 N229 T234 H235 F236I99-E232 HydrophobicContact CD1-CB 4.46Å; I99-E232 HydrophobicContact CD1-CG 3.79Å; N229-E232 VanDerWaalsContact CG-CD 3.4Å; N229-E232 PolarHBondContact ND2-OE1 3.4Å; N229-E232 PolarHBondContact ND2-OE2 3.45Å; N229-E232 WeakPolarHBondContact OD1-CB 3.4Å; N229-E232 VanDerWaalsContact OD1-CD 3.32Å; N229-E232 WeakPolarHBondContact OD1-CG 3.4Å; N229-E232 PolarHBondContact OD1-N 2.94Å; E232-T234 PolarHBondContact O-N 2.71Å; E232-H235 PolarHBondContact O-N 3.33Å; E232-F236 WeakPolarHBondContact O-CB 3.35Å; E232-F236 PolarHBondContact O-N 2.82Å
233A72.5Confident77.4Confident22 Ų2252 Ų5218%0.18227%0.268CS..Hα-helixtrans-59.7-38.1177.600000111.7N229 V230 E231 R237 V269N229-A233 WeakPolarHBondContact O-CB 3.25Å; N229-A233 PolarHBondContact O-N 3.15Å; V230-A233 PolarHBondContact O-N 2.89Å; E231-A233 VanDerWaalsContact C-N 3.34Å; E231-A233 PolarHBondContact O-N 3.06Å; A233-R237 WeakPolarHBondContact O-CB 3.28Å; A233-R237 PolarHBondContact O-N 2.89Å; A233-V269 HydrophobicContact CB-CB 3.96Å; A233-V269 HydrophobicContact CB-CG1 4.08Å; A233-V269 HydrophobicContact CB-CG2 3.76Å
234T72.3Confident77.9Confident62 Ų6250.7 Ų50.738%0.3826%0.261SS..Hα-helixtrans-70.4-48.9178.9-55.10000111.7V230 E231 E232 F236 R237 Q238V230-T234 PolarHBondContact O-N 2.8Å; V230-T234 PolarHBondContact O-OG1 2.62Å; E231-T234 PolarHBondContact O-N 3.19Å; E232-T234 PolarHBondContact O-N 2.71Å; T234-F236 VanDerWaalsContact C-N 3.31Å; T234-F236 PolarHBondContact O-N 2.96Å; T234-R237 WeakPolarHBondContact O-CB 3.44Å; T234-R237 PolarHBondContact O-N 2.96Å; T234-Q238 PolarHBondContact O-N 3.4Å
235H74.1Confident78.6Confident17 Ų1750.3 Ų50.38%0.07926%0.263CS..Hα-helixtrans-63.8-38.4176.2-68.2114.3000112.6E97 I99 E231 E232 R237 Q238 F239E97-H235 PolarHBondContact O-CE1 3.48Å; E97-H235 PolarHBondContact O-NE2 3.41Å; I99-H235 HydrophobicContact CD1-CB 4.32Å; I99-H235 WeakPolarHBondContact CD1-ND1 3.23Å; I99-H235 WeakPolarHBondContact CG1-ND1 3.27Å; E231-H235 PolarHBondContact O-N 2.98Å; E231-H235 PolarHBondContact O-ND1 3.06Å; E232-H235 PolarHBondContact O-N 3.33Å; H235-R237 VanDerWaalsContact C-N 3.35Å; H235-Q238 PolarHBondContact O-N 3.4Å; H235-F239 WeakPolarHBondContact O-CB 3.44Å; H235-F239 PolarHBondContact O-N 3.49Å
236F80.1Confident79.3Confident19 Ų1945.8 Ų45.88%0.08325%0.249CC..Hα-helixtrans-63.7-42.9175.7-170.8-119.3000110.9E232 T234 Q238 F239 L240 V269 L387 F391E232-F236 WeakPolarHBondContact O-CB 3.35Å; E232-F236 PolarHBondContact O-N 2.82Å; T234-F236 VanDerWaalsContact C-N 3.31Å; T234-F236 PolarHBondContact O-N 2.96Å; F236-Q238 PolarHBondContact O-N 2.96Å; F236-F239 WeakPolarHBondContact O-CB 3.45Å; F236-F239 PolarHBondContact O-N 3.01Å; F236-L240 HydrophobicContact CD1-CD1 3.73Å; F236-L240 HydrophobicContact CD1-CG 4.43Å; F236-L240 HydrophobicContact CE1-CD1 3.54Å; F236-L240 HydrophobicContact CE1-CG 4.26Å; F236-L240 HydrophobicContact CE2-CD2 4.34Å; F236-L240 HydrophobicContact CE2-CG 4.43Å; F236-L240 HydrophobicContact CG-CD1 4.33Å; F236-L240 HydrophobicContact CZ-CD1 4Å; F236-L240 HydrophobicContact CZ-CD2 4.11Å; F236-L240 HydrophobicContact CZ-CG 4.27Å; F236-L240 WeakPolarHBondContact O-CG 3.29Å; F236-L240 PolarHBondContact O-N 3.02Å; F236-V269 HydrophobicContact CD1-CG2 4.47Å; F236-L387 HydrophobicContact CE1-CD2 4.23Å; F236-L387 HydrophobicContact CZ-CD2 3.67Å; F236-F391 HydrophobicContact CE2-CE2 4.01Å; F236-F391 HydrophobicContact CE2-CZ 4.01Å; F236-F391 HydrophobicContact CZ-CE2 4.3Å
237R84.8Confident80.3Confident119 Ų11945.7 Ų45.745%0.44925%0.248SC..Hα-helixtrans-58.8-46.9173.8-174179.7-177.9112.73111.7A233 T234 H235 F239 L240 T241 D268A233-R237 WeakPolarHBondContact O-CB 3.28Å; A233-R237 PolarHBondContact O-N 2.89Å; T234-R237 WeakPolarHBondContact O-CB 3.44Å; T234-R237 PolarHBondContact O-N 2.96Å; H235-R237 VanDerWaalsContact C-N 3.35Å; R237-F239 PolarHBondContact O-N 2.94Å; R237-L240 PolarHBondContact O-N 3.48Å; R237-T241 PolarHBondContact O-N 2.8Å; R237-T241 PolarHBondContact O-OG1 3.15Å; R237-T241 VanDerWaalsContact O-OG1 3.07Å; R237-D268 IonicContact NH1-OD2 3.27Å; R237-D268 PolarHBondContact NH1-OD2 3.46Å; R237-D268 VanDerWaalsContact NH1-OD2 3.13Å
238Q84Confident81.7Confident64 Ų6445.8 Ų45.830%0.29925%0.249SC..Hα-helixtrans-60.4-46.2178.1-173.361.85100111.8T234 H235 F236 L240 T241 N242T234-Q238 PolarHBondContact O-N 3.4Å; H235-Q238 PolarHBondContact O-N 3.4Å; F236-Q238 PolarHBondContact O-N 2.96Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 3.39Å; Q238-T241 PolarHBondContact O-N 3.22Å; Q238-N242 PolarHBondContact NE2-ND2 2.91Å; Q238-N242 PolarHBondContact NE2-OD1 2.82Å; Q238-N242 WeakPolarHBondContact O-CB 3.36Å; Q238-N242 PolarHBondContact O-N 3.44Å
239F85.6Confident83.3Confident9 Ų952.3 Ų52.34%0.03927%0.265CS..Hα-helixtrans-54.3-47.9175168.6-90.2000111.6L86 M89 A90 H235 F236 R237 N242 G243 F391 V394L86-F239 HydrophobicContact CB-CE2 4.45Å; L86-F239 HydrophobicContact CD2-CD2 4.35Å; L86-F239 HydrophobicContact CD2-CE1 4.44Å; L86-F239 HydrophobicContact CD2-CE2 3.39Å; L86-F239 HydrophobicContact CD2-CZ 3.44Å; L86-F239 VanDerWaalsContact CD2-CZ 3.44Å; L86-F239 HydrophobicContact CG-CE2 4.48Å; M89-F239 HydrophobicContact CB-CD2 3.43Å; M89-F239 VanDerWaalsContact CB-CD2 3.43Å; M89-F239 HydrophobicContact CB-CE2 3.59Å; M89-F239 HydrophobicContact CG-CE2 4.28Å; M89-F239 WeakPolarHBondContact O-CA 3.08Å; M89-F239 HydrophobicContact SD-CD2 4.38Å; M89-F239 HydrophobicContact SD-CE2 3.67Å; M89-F239 HydrophobicContact SD-CZ 4.2Å; A90-F239 HydrophobicContact CB-CB 4.23Å; H235-F239 WeakPolarHBondContact O-CB 3.44Å; H235-F239 PolarHBondContact O-N 3.49Å; F236-F239 WeakPolarHBondContact O-CB 3.45Å; F236-F239 PolarHBondContact O-N 3.01Å; R237-F239 PolarHBondContact O-N 2.94Å; F239-N242 PolarHBondContact O-N 3.21Å; F239-G243 PolarHBondContact O-N 3.41Å; F239-F391 HydrophobicContact CD1-CE2 4.14Å; F239-F391 HydrophobicContact CD1-CZ 4.21Å; F239-F391 HydrophobicContact CE1-CD1 4.09Å; F239-F391 AromaticContact CE1-CD2 3.68Å; F239-F391 HydrophobicContact CE1-CD2 3.68Å; F239-F391 AromaticContact CE1-CE1 3.81Å; F239-F391 HydrophobicContact CE1-CE1 3.81Å; F239-F391 AromaticContact CE1-CE2 3.37Å; F239-F391 HydrophobicContact CE1-CE2 3.37Å; F239-F391 HydrophobicContact CE1-CG 4.04Å; F239-F391 AromaticContact CE1-CZ 3.44Å; F239-F391 HydrophobicContact CE1-CZ 3.44Å; F239-F391 VanDerWaalsContact CE1-CZ 3.44Å; F239-F391 HydrophobicContact CZ-CD1 4.02Å; F239-F391 HydrophobicContact CZ-CD2 4.33Å; F239-F391 AromaticContact CZ-CE1 3.92Å; F239-F391 HydrophobicContact CZ-CE1 3.92Å; F239-F391 HydrophobicContact CZ-CE2 4.25Å; F239-F391 HydrophobicContact CZ-CG 4.23Å; F239-F391 HydrophobicContact CZ-CZ 4.04Å; F239-V394 HydrophobicContact CE2-CG2 4.14Å; F239-V394 HydrophobicContact CZ-CG2 4.12Å
240L90.7Very high84.7Confident2 Ų252.8 Ų52.81%0.0127%0.265CS..Hα-helixtrans-65.1-41.3-179.1-67170.5000112.4F236 R237 Q238 L244 L264 L267 L387 C390 F391F236-L240 HydrophobicContact CD1-CD1 3.73Å; F236-L240 HydrophobicContact CD1-CG 4.43Å; F236-L240 HydrophobicContact CE1-CD1 3.54Å; F236-L240 HydrophobicContact CE1-CG 4.26Å; F236-L240 HydrophobicContact CE2-CD2 4.34Å; F236-L240 HydrophobicContact CE2-CG 4.43Å; F236-L240 HydrophobicContact CG-CD1 4.33Å; F236-L240 HydrophobicContact CZ-CD1 4Å; F236-L240 HydrophobicContact CZ-CD2 4.11Å; F236-L240 HydrophobicContact CZ-CG 4.27Å; F236-L240 WeakPolarHBondContact O-CG 3.29Å; F236-L240 PolarHBondContact O-N 3.02Å; R237-L240 PolarHBondContact O-N 3.48Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 3.39Å; L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 PolarHBondContact O-N 3.02Å; L240-L264 HydrophobicContact CB-CD2 4.34Å; L240-L267 HydrophobicContact CB-CD1 4.38Å; L240-L267 HydrophobicContact CD1-CB 3.84Å; L240-L267 HydrophobicContact CD1-CD1 3.85Å; L240-L267 HydrophobicContact CD1-CG 4.37Å; L240-L267 HydrophobicContact CD2-CD1 4.09Å; L240-L267 HydrophobicContact CG-CD1 4.33Å; L240-L387 HydrophobicContact CD2-CD2 3.69Å; L240-C390 HydrophobicContact CB-CB 4.17Å; L240-C390 HydrophobicContact CD2-CB 3.44Å; L240-C390 VanDerWaalsContact CD2-CB 3.44Å; L240-C390 HydrophobicContact CG-CB 4.41Å; L240-C390 PolarHBondContact O-SG 2.88Å; L240-C390 VanDerWaalsContact O-SG 3.33Å; L240-F391 HydrophobicContact CD2-CD2 4.15Å; L240-F391 HydrophobicContact CD2-CE2 3.85Å
241T92.1Very high86.4Confident33 Ų3349.6 Ų49.620%0.20224%0.241CC..Hα-helixtrans-61.9-48.9175.3-58.10000111.1R237 Q238 G243 L244 A245 L264R237-T241 PolarHBondContact O-N 2.8Å; R237-T241 PolarHBondContact O-OG1 3.15Å; R237-T241 VanDerWaalsContact O-OG1 3.07Å; Q238-T241 PolarHBondContact O-N 3.22Å; T241-G243 PolarHBondContact O-N 3.04Å; T241-L244 PolarHBondContact O-N 3.46Å; T241-A245 WeakPolarHBondContact O-CB 3.46Å; T241-A245 PolarHBondContact O-N 3.42Å; T241-L264 HydrophobicContact CG2-CD1 4.24Å
242N91.4Very high88Confident49 Ų4946.4 Ų46.426%0.26223%0.232SC..Hα-helixtrans-64-42.4179.9-73.9-10.4000111.9M89 Q238 F239 A245 Q246M89-N242 HydrophobicContact CB-CB 4.48Å; M89-N242 WeakPolarHBondContact O-CB 3.36Å; M89-N242 PolarHBondContact O-ND2 3.44Å; Q238-N242 PolarHBondContact NE2-ND2 2.91Å; Q238-N242 PolarHBondContact NE2-OD1 2.82Å; Q238-N242 WeakPolarHBondContact O-CB 3.36Å; Q238-N242 PolarHBondContact O-N 3.44Å; F239-N242 PolarHBondContact O-N 3.21Å; N242-A245 PolarHBondContact O-N 2.78Å; N242-Q246 WeakPolarHBondContact O-CB 3.11Å; N242-Q246 PolarHBondContact O-N 2.73Å
243G92.6Very high89.3Confident0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-60.8-44.3175.700000112.4F239 T241 Q246 L247 C390 P393F239-G243 PolarHBondContact O-N 3.41Å; T241-G243 PolarHBondContact O-N 3.04Å; G243-Q246 PolarHBondContact O-N 3.5Å; G243-L247 WeakPolarHBondContact O-CB 3.38Å; G243-L247 PolarHBondContact O-N 2.74Å; G243-C390 WeakPolarHBondContact CA-O 3.47Å; G243-P393 VanDerWaalsContact O-CG 3.31Å; G243-P393 WeakPolarHBondContact O-CG 3.42Å
244L95.4Very high90.5Very high0 Ų055.2 Ų55.20%027%0.271CS..Hα-helixtrans-65.5-44.7175.7177.160000112.4L240 T241 Q246 L247 K248 V258 E260 V263 I389L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 PolarHBondContact O-N 3.02Å; T241-L244 PolarHBondContact O-N 3.46Å; L244-Q246 VanDerWaalsContact C-N 3.32Å; L244-Q246 PolarHBondContact O-N 3.44Å; L244-L247 WeakPolarHBondContact O-CB 3.21Å; L244-L247 PolarHBondContact O-N 2.8Å; L244-K248 HydrophobicContact CD1-CD 4.05Å; L244-K248 HydrophobicContact CD1-CG 4.18Å; L244-K248 HydrophobicContact CG-CD 4.3Å; L244-K248 WeakPolarHBondContact O-CG 3.02Å; L244-K248 PolarHBondContact O-N 3.31Å; L244-V258 HydrophobicContact CD1-CG1 3.95Å; L244-E260 HydrophobicContact CD2-CB 3.81Å; L244-E260 HydrophobicContact CD2-CG 3.73Å; L244-V263 HydrophobicContact CD2-CB 4.13Å; L244-V263 HydrophobicContact CD2-CG1 3.94Å; L244-I389 HydrophobicContact CD1-CG2 3.67Å
245A94.3Very high91.7Very high48 Ų4852.3 Ų52.340%0.39725%0.253SS..Hα-helixtrans-60.4-42.7177.500000111.5T241 N242 K248 K249T241-A245 WeakPolarHBondContact O-CB 3.46Å; T241-A245 PolarHBondContact O-N 3.42Å; N242-A245 PolarHBondContact O-N 2.78Å; A245-K248 PolarHBondContact O-N 2.98Å; A245-K249 WeakPolarHBondContact O-CB 3.34Å; A245-K249 PolarHBondContact O-N 3.46Å
246Q94Very high92.7Very high65 Ų6555.6 Ų55.630%0.30427%0.274SS..Hα-helixtrans-63.8-44.3175.3-179.6171.1-15.800111.8N242 G243 L244 K248 K249 E250 P393N242-Q246 WeakPolarHBondContact O-CB 3.11Å; N242-Q246 PolarHBondContact O-N 2.73Å; G243-Q246 PolarHBondContact O-N 3.5Å; L244-Q246 VanDerWaalsContact C-N 3.32Å; L244-Q246 PolarHBondContact O-N 3.44Å; Q246-K248 PolarHBondContact O-N 2.85Å; Q246-K249 PolarHBondContact O-N 2.93Å; Q246-E250 HydrophobicContact CG-CG 4.26Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.23Å; Q246-E250 PolarHBondContact NE2-OE1 2.96Å; Q246-E250 WeakPolarHBondContact O-CG 2.94Å; Q246-E250 PolarHBondContact O-N 3.13Å; Q246-P393 HydrophobicContact CB-CB 4.49Å; Q246-P393 HydrophobicContact CB-CG 4.27Å; Q246-P393 HydrophobicContact CG-CB 3.98Å; Q246-P393 HydrophobicContact CG-CG 4.23Å
247L95.5Very high93.4Very high0 Ų062.3 Ų62.30%031%0.305CS..Hα-helixtrans-56.9-48.7177.3-175.166000111.9G243 L244 K249 E250 Y251 F255 I389 F392 P393G243-L247 WeakPolarHBondContact O-CB 3.38Å; G243-L247 PolarHBondContact O-N 2.74Å; L244-L247 WeakPolarHBondContact O-CB 3.21Å; L244-L247 PolarHBondContact O-N 2.8Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 2.94Å; L247-E250 PolarHBondContact O-N 2.9Å; L247-Y251 HydrophobicContact CD1-CD2 3.87Å; L247-Y251 HydrophobicContact CD1-CE2 4.3Å; L247-Y251 PolarHBondContact O-N 3.22Å; L247-F255 HydrophobicContact CD1-CD2 4.17Å; L247-F255 HydrophobicContact CD1-CE1 4.32Å; L247-F255 HydrophobicContact CD1-CE2 3.77Å; L247-F255 HydrophobicContact CD1-CZ 3.86Å; L247-F255 HydrophobicContact CD2-CD1 3.44Å; L247-F255 VanDerWaalsContact CD2-CD1 3.44Å; L247-F255 HydrophobicContact CD2-CD2 4.32Å; L247-F255 HydrophobicContact CD2-CE1 3.45Å; L247-F255 VanDerWaalsContact CD2-CE1 3.45Å; L247-F255 HydrophobicContact CD2-CE2 4.29Å; L247-F255 HydrophobicContact CD2-CG 3.91Å; L247-F255 HydrophobicContact CD2-CZ 3.88Å; L247-F255 HydrophobicContact CG-CD1 3.98Å; L247-F255 HydrophobicContact CG-CD2 3.95Å; L247-F255 HydrophobicContact CG-CE1 4.08Å; L247-F255 HydrophobicContact CG-CE2 4.01Å; L247-F255 HydrophobicContact CG-CG 3.91Å; L247-F255 HydrophobicContact CG-CZ 4.08Å; L247-I389 HydrophobicContact CD2-CG2 3.7Å; L247-I389 WeakPolarHBondContact CD2-O 3.5Å; L247-F392 HydrophobicContact CD1-CB 3.86Å; L247-F392 HydrophobicContact CD1-CD1 3.45Å; L247-F392 VanDerWaalsContact CD1-CD1 3.45Å; L247-F392 HydrophobicContact CD1-CE1 4.36Å; L247-F392 HydrophobicContact CD1-CG 3.95Å; L247-F392 HydrophobicContact CD2-CB 4.28Å; L247-P393 HydrophobicContact CB-CG 3.78Å; L247-P393 HydrophobicContact CD1-CG 4.17Å
248K96.9Very high94Very high61 Ų6156.7 Ų56.727%0.26528%0.284SS..Hα-helixtrans-66.7-31.9179.4-67.3-17972.5162.60112.1L244 A245 Q246 P252 F255 V258L244-K248 HydrophobicContact CD1-CD 4.05Å; L244-K248 HydrophobicContact CD1-CG 4.18Å; L244-K248 HydrophobicContact CG-CD 4.3Å; L244-K248 WeakPolarHBondContact O-CG 3.02Å; L244-K248 PolarHBondContact O-N 3.31Å; A245-K248 PolarHBondContact O-N 2.98Å; Q246-K248 PolarHBondContact O-N 2.85Å; K248-P252 WeakPolarHBondContact O-CA 3.48Å; K248-F255 HydrophobicContact CG-CB 4.22Å; K248-V258 PolarHBondContact NZ-O 3.21Å
249K95.9Very high94.6Very high179 Ų17957.2 Ų57.278%0.77829%0.289SS*.Hα-helixtrans-70.2-41.9174.5-178.3-177.3176.3-176.70112.5A245 Q246 L247A245-K249 WeakPolarHBondContact O-CB 3.34Å; A245-K249 PolarHBondContact O-N 3.46Å; Q246-K249 PolarHBondContact O-N 2.93Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 2.94Å
250E95.1Very high95Very high86 Ų8660.3 Ų60.340%0.40230%0.304SS..Hα-helixtrans-75.9-32.8-178.5-73.1179.6-173.800112.6Q246 L247 P252Q246-E250 HydrophobicContact CG-CG 4.26Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.23Å; Q246-E250 PolarHBondContact NE2-OE1 2.96Å; Q246-E250 WeakPolarHBondContact O-CG 2.94Å; Q246-E250 PolarHBondContact O-N 3.13Å; L247-E250 PolarHBondContact O-N 2.9Å; E250-P252 VanDerWaalsContact C-CD 3.48Å
251Y96.3Very high95.1Very high41 Ų4166.8 Ų66.816%0.16133%0.334CS..SBendtrans-131.859.1-175.1-55.6-87.1000111.7L247 D253 R254 F255 L411 I415L247-Y251 HydrophobicContact CD1-CD2 3.87Å; L247-Y251 HydrophobicContact CD1-CE2 4.3Å; L247-Y251 PolarHBondContact O-N 3.22Å; Y251-D253 PolarHBondContact O-N 3.12Å; Y251-R254 PolarHBondContact O-N 3.48Å; Y251-R254 VanDerWaalsContact O-N 3.13Å; Y251-F255 HydrophobicContact CD2-CE2 4.43Å; Y251-F255 HydrophobicContact CG-CD2 4.37Å; Y251-F255 HydrophobicContact CG-CE2 4.21Å; Y251-F255 PolarHBondContact O-N 3.37Å; Y251-L411 HydrophobicContact CE1-CD2 4.28Å; Y251-I415 HydrophobicContact CD1-CD1 3.93Å; Y251-I415 HydrophobicContact CE1-CD1 3.83Å
252P96.4Very high95.3Very high71 Ų7166.8 Ų66.846%0.46133%0.334SS..Hα-helixtrans-57.8-47.4-171.422.7-33.4000112.5K248 E250 R254 V256K248-P252 WeakPolarHBondContact O-CA 3.48Å; E250-P252 VanDerWaalsContact C-CD 3.48Å; P252-R254 PolarHBondContact O-N 2.97Å; P252-V256 VanDerWaalsContact O-CB 3.32Å; P252-V256 WeakPolarHBondContact O-CB 3.29Å; P252-V256 PolarHBondContact O-N 3.29Å
253D96.2Very high95.5Very high145 Ų14564.5 Ų64.578%0.77532%0.321SS*.Hα-helixtrans-66.8-27.3-177.8-59.2-34.2000112.9Y251Y251-D253 PolarHBondContact O-N 3.12Å
254R96.5Very high95.4Very high90 Ų9065.5 Ų65.534%0.3433%0.327SS..Hα-helixtrans-87-36.9-175.3-55.7-62.7-67-79.83.9112.2Y251 P252 E412 I415 L419Y251-R254 PolarHBondContact O-N 3.48Å; Y251-R254 VanDerWaalsContact O-N 3.13Å; P252-R254 PolarHBondContact O-N 2.97Å; R254-E412 IonicContact CZ-OE2 3.38Å; R254-E412 VanDerWaalsContact CZ-OE2 3.25Å; R254-E412 IonicContact NH1-OE1 3.4Å; R254-E412 PolarHBondContact NH1-OE1 2.91Å; R254-E412 IonicContact NH1-OE2 3.13Å; R254-E412 PolarHBondContact NH1-OE2 3.44Å; R254-E412 IonicContact NH2-OE2 2.78Å; R254-E412 PolarHBondContact NH2-OE2 3.36Å; R254-I415 HydrophobicContact CB-CG2 4.48Å; R254-L419 WeakPolarHBondContact O-CD2 3.48Å
255F97.3Very high95.2Very high0 Ų071 Ų710%035%0.348CS..Hα-helixtrans-109.914.4-175.6-65.6-93.9000113.3L247 K248 Y251 H257 V258 I389 I415 L419L247-F255 HydrophobicContact CD1-CD2 4.17Å; L247-F255 HydrophobicContact CD1-CE1 4.32Å; L247-F255 HydrophobicContact CD1-CE2 3.77Å; L247-F255 HydrophobicContact CD1-CZ 3.86Å; L247-F255 HydrophobicContact CD2-CD1 3.44Å; L247-F255 VanDerWaalsContact CD2-CD1 3.44Å; L247-F255 HydrophobicContact CD2-CD2 4.32Å; L247-F255 HydrophobicContact CD2-CE1 3.45Å; L247-F255 VanDerWaalsContact CD2-CE1 3.45Å; L247-F255 HydrophobicContact CD2-CE2 4.29Å; L247-F255 HydrophobicContact CD2-CG 3.91Å; L247-F255 HydrophobicContact CD2-CZ 3.88Å; L247-F255 HydrophobicContact CG-CD1 3.98Å; L247-F255 HydrophobicContact CG-CD2 3.95Å; L247-F255 HydrophobicContact CG-CE1 4.08Å; L247-F255 HydrophobicContact CG-CE2 4.01Å; L247-F255 HydrophobicContact CG-CG 3.91Å; L247-F255 HydrophobicContact CG-CZ 4.08Å; K248-F255 HydrophobicContact CG-CB 4.22Å; Y251-F255 HydrophobicContact CD2-CE2 4.43Å; Y251-F255 HydrophobicContact CG-CD2 4.37Å; Y251-F255 HydrophobicContact CG-CE2 4.21Å; Y251-F255 PolarHBondContact O-N 3.37Å; F255-H257 PolarHBondContact O-N 3.35Å; F255-V258 HydrophobicContact CB-CG2 4.26Å; F255-V258 HydrophobicContact CD1-CG2 3.86Å; F255-V258 WeakPolarHBondContact O-CB 3.33Å; F255-V258 PolarHBondContact O-N 3.16Å; F255-I389 HydrophobicContact CD1-CD1 4.22Å; F255-I389 HydrophobicContact CE1-CD1 3.8Å; F255-I415 HydrophobicContact CE2-CG1 4.4Å; F255-I415 HydrophobicContact CE2-CG2 4Å; F255-I415 HydrophobicContact CZ-CG1 4.47Å; F255-I415 HydrophobicContact CZ-CG2 4.01Å; F255-L419 HydrophobicContact CD1-CD2 3.6Å; F255-L419 HydrophobicContact CD1-CG 4.41Å; F255-L419 HydrophobicContact CE1-CD2 3.66Å; F255-L419 HydrophobicContact CE1-CG 4Å; F255-L419 HydrophobicContact CG-CD2 4.21Å; F255-L419 HydrophobicContact CZ-CD2 4.36Å; F255-L419 HydrophobicContact CZ-CG 4.32Å
256V94.9Very high95Very high86 Ų8672.6 Ų72.652%0.52134%0.344SS..THydrogen-bonded Turntrans-55.1-36.6177.262.80000112.7P252 V258P252-V256 VanDerWaalsContact O-CB 3.32Å; P252-V256 WeakPolarHBondContact O-CB 3.29Å; P252-V256 PolarHBondContact O-N 3.29Å; V256-V258 VanDerWaalsContact C-N 3.31Å; V256-V258 PolarHBondContact O-N 3.47Å
257H95Very high94.9Very high160 Ų16069.8 Ų69.874%0.74133%0.331SS*.THydrogen-bonded Turntrans-82.6-5.1-178.8-59-55.8000114.1F255 D259F255-H257 PolarHBondContact O-N 3.35Å; H257-D259 PolarHBondContact O-N 2.78Å
258V97.7Very high94.5Very high2 Ų271.8 Ų71.81%0.01234%0.341CS..  trans-76.9107.4175.9177.40000109.4L244 K248 F255 V256 E260 V263 I389 L419 Y422L244-V258 HydrophobicContact CD1-CG1 3.95Å; K248-V258 PolarHBondContact NZ-O 3.21Å; F255-V258 HydrophobicContact CB-CG2 4.26Å; F255-V258 HydrophobicContact CD1-CG2 3.86Å; F255-V258 WeakPolarHBondContact O-CB 3.33Å; F255-V258 PolarHBondContact O-N 3.16Å; V256-V258 VanDerWaalsContact C-N 3.31Å; V256-V258 PolarHBondContact O-N 3.47Å; V258-E260 PolarHBondContact O-N 2.88Å; V258-V263 HydrophobicContact CG1-CG2 3.83Å; V258-I389 HydrophobicContact CG1-CG2 4.16Å; V258-L419 HydrophobicContact CG2-CD2 4.2Å; V258-Y422 HydrophobicContact CB-CE2 4.46Å; V258-Y422 HydrophobicContact CG1-CD2 4.15Å; V258-Y422 HydrophobicContact CG1-CE2 3.87Å; V258-Y422 HydrophobicContact CG2-CD1 4.07Å; V258-Y422 HydrophobicContact CG2-CD2 4.36Å; V258-Y422 HydrophobicContact CG2-CE1 4.16Å; V258-Y422 HydrophobicContact CG2-CE2 4.49Å; V258-Y422 HydrophobicContact CG2-CG 4.18Å
259D96.6Very high93.9Very high74 Ų7470 Ų7040%0.39634%0.336SS..  trans-72.2115.5175.1-171.7-53.2000110.9H257 E261 V262 V263 Y422H257-D259 PolarHBondContact O-N 2.78Å; D259-E261 WeakPolarHBondContact OD1-CA 3.48Å; D259-E261 WeakPolarHBondContact OD1-CB 3.25Å; D259-E261 PolarHBondContact OD1-N 3.07Å; D259-V262 HydrophobicContact CB-CB 4.05Å; D259-V262 HydrophobicContact CB-CG2 3.96Å; D259-V262 PolarHBondContact OD1-N 3.04Å; D259-V263 VanDerWaalsContact O-CG2 3.31Å; D259-V263 WeakPolarHBondContact O-CG2 3.23Å; D259-V263 PolarHBondContact O-N 3Å; D259-V263 VanDerWaalsContact O-N 3.1Å; D259-Y422 WeakPolarHBondContact CB-OH 3.31Å; D259-Y422 PolarHBondContact N-OH 3.34Å
260E94.5Very high93.4Very high75 Ų7567.2 Ų67.235%0.3533%0.325SS..Hα-helixtrans-69.4-39.4-177.6171170.3166.700113.1L244 V258 V262 V263 L264L244-E260 HydrophobicContact CD2-CB 3.81Å; L244-E260 HydrophobicContact CD2-CG 3.73Å; V258-E260 PolarHBondContact O-N 2.88Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 2.97Å; E260-V263 PolarHBondContact O-N 3.46Å; E260-L264 HydrophobicContact CG-CD1 3.78Å; E260-L264 HydrophobicContact CG-CG 4.28Å; E260-L264 WeakPolarHBondContact O-CB 3.48Å; E260-L264 WeakPolarHBondContact O-CG 3.44Å; E260-L264 PolarHBondContact O-N 3.35Å
261E93.4Very high93.1Very high137 Ų13767.3 Ų67.364%0.6432%0.322SS*.Hα-helixtrans-65.3-40.6179.3-66.1-170178.500110.8D259 R265D259-E261 WeakPolarHBondContact OD1-CA 3.48Å; D259-E261 WeakPolarHBondContact OD1-CB 3.25Å; D259-E261 PolarHBondContact OD1-N 3.07Å; E261-R265 WeakPolarHBondContact O-CB 3.35Å; E261-R265 PolarHBondContact O-N 3.3Å
262V94.6Very high92.7Very high34 Ų3466.3 Ų66.321%0.20632%0.318CS..Hα-helixtrans-63.4-50.7175.2174.80000110.3D259 E260 L264 R265 Y266 F386 L426 L429D259-V262 HydrophobicContact CB-CB 4.05Å; D259-V262 HydrophobicContact CB-CG2 3.96Å; D259-V262 PolarHBondContact OD1-N 3.04Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 2.97Å; V262-L264 PolarHBondContact O-N 3.33Å; V262-R265 PolarHBondContact O-N 2.94Å; V262-Y266 HydrophobicContact CG1-CD2 4.21Å; V262-Y266 HydrophobicContact CG1-CE2 4.37Å; V262-Y266 WeakPolarHBondContact O-CD2 3.36Å; V262-Y266 PolarHBondContact O-N 3.26Å; V262-F386 HydrophobicContact CG1-CE2 4.29Å; V262-F386 HydrophobicContact CG1-CZ 4.13Å; V262-L426 HydrophobicContact CG1-CD2 3.97Å; V262-L429 HydrophobicContact CG1-CD1 4.37Å
263V96.1Very high92.3Very high0 Ų063.6 Ų63.60%030%0.301CS..Hα-helixtrans-56.7-55.4-179.4165.90000111.1L244 V258 D259 E260 R265 Y266 L267 F386 Y422L244-V263 HydrophobicContact CD2-CB 4.13Å; L244-V263 HydrophobicContact CD2-CG1 3.94Å; V258-V263 HydrophobicContact CG1-CG2 3.83Å; D259-V263 VanDerWaalsContact O-CG2 3.31Å; D259-V263 WeakPolarHBondContact O-CG2 3.23Å; D259-V263 PolarHBondContact O-N 3Å; D259-V263 VanDerWaalsContact O-N 3.1Å; E260-V263 PolarHBondContact O-N 3.46Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.5Å; V263-Y266 PolarHBondContact O-N 2.93Å; V263-L267 HydrophobicContact CG1-CD1 3.85Å; V263-L267 WeakPolarHBondContact O-CG 3.04Å; V263-L267 PolarHBondContact O-N 3.45Å; V263-L267 VanDerWaalsContact O-N 3.15Å; V263-F386 HydrophobicContact CG1-CB 4.13Å; V263-F386 HydrophobicContact CG1-CG 4.43Å; V263-F386 HydrophobicContact CG2-CD1 4.04Å; V263-F386 HydrophobicContact CG2-CE1 4.37Å; V263-F386 HydrophobicContact CG2-CG 4.16Å; V263-Y422 HydrophobicContact CG2-CD2 4.19Å; V263-Y422 HydrophobicContact CG2-CE2 3.76Å
264L91.9Very high92Very high21 Ų2157.3 Ų57.311%0.1127%0.269CS..Hα-helixtrans-68-31.8-175.4-64.4179.4000112.4L240 T241 E260 V262 Y266 L267 D268L240-L264 HydrophobicContact CB-CD2 4.34Å; T241-L264 HydrophobicContact CG2-CD1 4.24Å; E260-L264 HydrophobicContact CG-CD1 3.78Å; E260-L264 HydrophobicContact CG-CG 4.28Å; E260-L264 WeakPolarHBondContact O-CB 3.48Å; E260-L264 WeakPolarHBondContact O-CG 3.44Å; E260-L264 PolarHBondContact O-N 3.35Å; V262-L264 PolarHBondContact O-N 3.33Å; L264-Y266 VanDerWaalsContact C-N 3.34Å; L264-Y266 PolarHBondContact O-N 3.48Å; L264-L267 PolarHBondContact O-N 3Å; L264-D268 PolarHBondContact O-N 2.87Å
265R90.9Very high91.8Very high117 Ų11753.8 Ų53.844%0.44226%0.257SS..Hα-helixtrans-61.1-39.8175.5178.2-173.1-58.8-170.43.6112.6E261 V262 V263 D268 R271E261-R265 WeakPolarHBondContact O-CB 3.35Å; E261-R265 PolarHBondContact O-N 3.3Å; V262-R265 PolarHBondContact O-N 2.94Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.5Å; R265-D268 WeakPolarHBondContact O-CB 3.33Å; R265-R271 WeakPolarHBondContact O-CD 3.25Å
266Y89.7Confident91.5Very high80 Ų8055.5 Ų55.531%0.31427%0.266SS..Hα-helixtrans-89.9-8.2-179.4-77.1-82.1000113.8V262 V263 L264 F386 L429V262-Y266 HydrophobicContact CG1-CD2 4.21Å; V262-Y266 HydrophobicContact CG1-CE2 4.37Å; V262-Y266 WeakPolarHBondContact O-CD2 3.36Å; V262-Y266 PolarHBondContact O-N 3.26Å; V263-Y266 PolarHBondContact O-N 2.93Å; L264-Y266 VanDerWaalsContact C-N 3.34Å; L264-Y266 PolarHBondContact O-N 3.48Å; Y266-F386 HydrophobicContact CD2-CE2 4.04Å; Y266-F386 HydrophobicContact CG-CE2 4.09Å; Y266-L429 HydrophobicContact CD1-CD2 3.87Å; Y266-L429 HydrophobicContact CD2-CD1 3.77Å; Y266-L429 HydrophobicContact CD2-CD2 4.49Å; Y266-L429 HydrophobicContact CE1-CD1 4.32Å; Y266-L429 HydrophobicContact CE1-CD2 3.29Å; Y266-L429 HydrophobicContact CE1-CG 4.41Å; Y266-L429 HydrophobicContact CE2-CD1 3.51Å; Y266-L429 HydrophobicContact CE2-CD2 4.01Å; Y266-L429 HydrophobicContact CE2-CG 4.33Å; Y266-L429 HydrophobicContact CG-CD1 4.29Å; Y266-L429 HydrophobicContact CG-CD2 4.44Å
267L91.2Very high91.3Very high6 Ų658.5 Ų58.53%0.03127%0.268CS..Hα-helixtrans-92.1-3169.2-65.6-179.3000113.5L240 V263 L264 V269 R383 F386 L387 C390L240-L267 HydrophobicContact CB-CD1 4.38Å; L240-L267 HydrophobicContact CD1-CB 3.84Å; L240-L267 HydrophobicContact CD1-CD1 3.85Å; L240-L267 HydrophobicContact CD1-CG 4.37Å; L240-L267 HydrophobicContact CD2-CD1 4.09Å; L240-L267 HydrophobicContact CG-CD1 4.33Å; V263-L267 HydrophobicContact CG1-CD1 3.85Å; V263-L267 WeakPolarHBondContact O-CG 3.04Å; V263-L267 PolarHBondContact O-N 3.45Å; V263-L267 VanDerWaalsContact O-N 3.15Å; L264-L267 PolarHBondContact O-N 3Å; L267-V269 PolarHBondContact O-N 3.25Å; L267-R383 HydrophobicContact CD2-CG 3.94Å; L267-F386 HydrophobicContact CD1-CB 4.04Å; L267-F386 HydrophobicContact CD2-CB 3.8Å; L267-F386 HydrophobicContact CG-CB 3.89Å; L267-L387 HydrophobicContact CD2-CD2 3.9Å; L267-L387 HydrophobicContact CD2-CG 3.89Å; L267-C390 HydrophobicContact CD1-CB 4.47Å; L267-C390 VanDerWaalsContact CD1-SG 3.52Å
268D87.7Confident91.2Very high42 Ų4251.4 Ų51.423%0.22524%0.236CC..  trans-59.4128.5176-177.6-92.1000112.1R237 L264 R265 Q270 R271 W272R237-D268 IonicContact NH1-OD2 3.27Å; R237-D268 PolarHBondContact NH1-OD2 3.46Å; R237-D268 VanDerWaalsContact NH1-OD2 3.13Å; L264-D268 PolarHBondContact O-N 2.87Å; R265-D268 WeakPolarHBondContact O-CB 3.33Å; D268-Q270 VanDerWaalsContact C-N 3.33Å; D268-Q270 PolarHBondContact O-N 3.09Å; D268-Q270 WeakPolarHBondContact OD1-CB 3.22Å; D268-Q270 PolarHBondContact OD1-N 2.78Å; D268-R271 HydrophobicContact CB-CB 4.19Å; D268-R271 HydrophobicContact CB-CG 4.23Å; D268-R271 PolarHBondContact O-N 2.87Å; D268-R271 PolarHBondContact OD1-N 3.03Å; D268-W272 WeakPolarHBondContact O-CB 3.36Å; D268-W272 PolarHBondContact O-N 2.88Å
269V84.9Confident91Very high25 Ų2551.3 Ų51.315%0.15224%0.235CC..Hα-helixtrans-67.3-32.9-172.7177.20000112.4A233 F236 L267 S273A233-V269 HydrophobicContact CB-CB 3.96Å; A233-V269 HydrophobicContact CB-CG1 4.08Å; A233-V269 HydrophobicContact CB-CG2 3.76Å; F236-V269 HydrophobicContact CD1-CG2 4.47Å; L267-V269 PolarHBondContact O-N 3.25Å; V269-S273 WeakPolarHBondContact O-CB 3.45Å; V269-S273 PolarHBondContact O-N 3.24Å; V269-S273 PolarHBondContact O-OG 2.86Å
270Q85.1Confident90.8Very high119 Ų11949.3 Ų49.356%0.55623%0.232SC*.Hα-helixtrans-73.7-44.3179.8-65-62.2-11.200111.1D268 W272 S273 A274D268-Q270 VanDerWaalsContact C-N 3.33Å; D268-Q270 PolarHBondContact O-N 3.09Å; D268-Q270 WeakPolarHBondContact OD1-CB 3.22Å; D268-Q270 PolarHBondContact OD1-N 2.78Å; Q270-W272 VanDerWaalsContact C-N 3.32Å; Q270-W272 PolarHBondContact O-N 2.81Å; Q270-S273 PolarHBondContact O-N 3.28Å; Q270-A274 WeakPolarHBondContact O-CB 3.08Å; Q270-A274 PolarHBondContact O-N 2.71Å
271R87.9Confident90.7Very high89 Ų8953.3 Ų53.334%0.33625%0.251SS..Hα-helixtrans-60.4-43.7172.9-71177.5171.1-129.7-1.3111.6R265 D268 S273 A274 L275R265-R271 WeakPolarHBondContact O-CD 3.25Å; D268-R271 HydrophobicContact CB-CB 4.19Å; D268-R271 HydrophobicContact CB-CG 4.23Å; D268-R271 PolarHBondContact O-N 2.87Å; D268-R271 PolarHBondContact OD1-N 3.03Å; R271-S273 VanDerWaalsContact C-N 3.34Å; R271-S273 PolarHBondContact O-N 3.27Å; R271-A274 PolarHBondContact O-N 3.1Å; R271-L275 WeakPolarHBondContact O-CB 3.02Å; R271-L275 PolarHBondContact O-N 2.88Å
272W88.9Confident90.8Very high20 Ų2050.4 Ų50.48%0.07624%0.239CC..Hα-helixtrans-59.7-45.9175.1177-121.1000112.2D268 Q270 A274 L275 L276 E327 I380 R383D268-W272 WeakPolarHBondContact O-CB 3.36Å; D268-W272 PolarHBondContact O-N 2.88Å; Q270-W272 VanDerWaalsContact C-N 3.32Å; Q270-W272 PolarHBondContact O-N 2.81Å; W272-A274 VanDerWaalsContact C-N 3.31Å; W272-A274 PolarHBondContact O-N 3.01Å; W272-L275 HydrophobicContact CE3-CD2 3.94Å; W272-L275 HydrophobicContact CZ3-CD2 3.82Å; W272-L275 PolarHBondContact O-N 3.09Å; W272-L276 HydrophobicContact CD2-CD1 4.2Å; W272-L276 HydrophobicContact CD2-CG 4.02Å; W272-L276 VanDerWaalsContact CE2-CD1 3.46Å; W272-L276 HydrophobicContact CE3-CG 4.41Å; W272-L276 HydrophobicContact CH2-CD2 3.76Å; W272-L276 HydrophobicContact CH2-CG 4.18Å; W272-L276 HydrophobicContact CZ2-CD1 3.72Å; W272-L276 HydrophobicContact CZ2-CD2 3.62Å; W272-L276 HydrophobicContact CZ2-CG 3.75Å; W272-L276 HydrophobicContact CZ3-CD2 4.32Å; W272-L276 HydrophobicContact CZ3-CG 4.49Å; W272-L276 VanDerWaalsContact NE1-CD1 3.32Å; W272-L276 PolarHBondContact O-N 3.42Å; W272-E327 HydrophobicContact CH2-CG 4.33Å; W272-E327 HydrophobicContact CZ2-CG 4.21Å; W272-E327 WeakPolarHBondContact CZ2-OE2 3.41Å; W272-I380 HydrophobicContact CH2-CB 4.44Å; W272-I380 HydrophobicContact CH2-CG1 4.06Å; W272-I380 HydrophobicContact CH2-CG2 4.12Å; W272-I380 HydrophobicContact CZ3-CG1 4.35Å; W272-R383 HydrophobicContact CD2-CG 4.48Å; W272-R383 VanDerWaalsContact CE2-CD 3.4Å; W272-R383 HydrophobicContact CE3-CB 4.2Å; W272-R383 HydrophobicContact CE3-CG 4.23Å; W272-R383 HydrophobicContact CZ3-CB 4.01Å; W272-R383 VanDerWaalsContact CZ3-CD 3.45Å; W272-R383 HydrophobicContact CZ3-CG 4.33Å
273S87.5Confident90.7Very high13 Ų1348.9 Ų48.99%0.09123%0.229CC..Hα-helixtrans-63.1-38177.3-63.60000112.1V269 Q270 R271 R277V269-S273 WeakPolarHBondContact O-CB 3.45Å; V269-S273 PolarHBondContact O-N 3.24Å; V269-S273 PolarHBondContact O-OG 2.86Å; Q270-S273 PolarHBondContact O-N 3.28Å; R271-S273 VanDerWaalsContact C-N 3.34Å; R271-S273 PolarHBondContact O-N 3.27Å; S273-R277 WeakPolarHBondContact O-CG 3.46Å; S273-R277 PolarHBondContact O-N 3.28Å
274A89.6Confident90.7Very high13 Ų1350.4 Ų50.411%0.10724%0.239CC..Hα-helixtrans-65.5-45.1175.200000111.9Q270 R271 W272 R277 S278Q270-A274 WeakPolarHBondContact O-CB 3.08Å; Q270-A274 PolarHBondContact O-N 2.71Å; R271-A274 PolarHBondContact O-N 3.1Å; W272-A274 VanDerWaalsContact C-N 3.31Å; W272-A274 PolarHBondContact O-N 3.01Å; A274-R277 WeakPolarHBondContact O-CB 3.41Å; A274-R277 PolarHBondContact O-N 3.11Å; A274-S278 PolarHBondContact O-N 2.56Å
275L91.5Very high90.8Very high16 Ų1650.9 Ų50.98%0.08424%0.243CC..Hα-helixtrans-59.8-49.1175.9176.161.2000111.5R271 W272 R277 S278 I279 A379 F435 A439R271-L275 WeakPolarHBondContact O-CB 3.02Å; R271-L275 PolarHBondContact O-N 2.88Å; W272-L275 HydrophobicContact CE3-CD2 3.94Å; W272-L275 HydrophobicContact CZ3-CD2 3.82Å; W272-L275 PolarHBondContact O-N 3.09Å; L275-R277 VanDerWaalsContact C-N 3.28Å; L275-R277 PolarHBondContact O-N 3.15Å; L275-S278 PolarHBondContact O-N 2.75Å; L275-S278 VanDerWaalsContact O-N 3.11Å; L275-I279 HydrophobicContact CD1-CD1 3.98Å; L275-I279 HydrophobicContact CD1-CG1 4.24Å; L275-I279 HydrophobicContact CG-CD1 3.98Å; L275-I279 WeakPolarHBondContact O-CG1 3.5Å; L275-I279 PolarHBondContact O-N 3.03Å; L275-A379 HydrophobicContact CD1-CB 3.99Å; L275-A379 HydrophobicContact CD2-CB 4.41Å; L275-A379 WeakPolarHBondContact CD2-O 3.48Å; L275-F435 HydrophobicContact CD1-CB 3.74Å; L275-F435 WeakPolarHBondContact CD1-O 3.32Å; L275-A439 HydrophobicContact CB-CB 4.07Å; L275-A439 HydrophobicContact CD1-CB 4.36Å
276L91.1Very high91Very high36 Ų3645.3 Ų45.319%0.18822%0.222CC..Hα-helixtrans-61.2-36.2177.4-74.4-174.5000112.5W272 I279 G280 A324 E327W272-L276 HydrophobicContact CD2-CD1 4.2Å; W272-L276 HydrophobicContact CD2-CG 4.02Å; W272-L276 VanDerWaalsContact CE2-CD1 3.46Å; W272-L276 HydrophobicContact CE3-CG 4.41Å; W272-L276 HydrophobicContact CH2-CD2 3.76Å; W272-L276 HydrophobicContact CH2-CG 4.18Å; W272-L276 HydrophobicContact CZ2-CD1 3.72Å; W272-L276 HydrophobicContact CZ2-CD2 3.62Å; W272-L276 HydrophobicContact CZ2-CG 3.75Å; W272-L276 HydrophobicContact CZ3-CD2 4.32Å; W272-L276 HydrophobicContact CZ3-CG 4.49Å; W272-L276 VanDerWaalsContact NE1-CD1 3.32Å; W272-L276 PolarHBondContact O-N 3.42Å; L276-I279 PolarHBondContact O-N 3.25Å; L276-G280 PolarHBondContact O-N 3.09Å; L276-A324 HydrophobicContact CD2-CB 4.14Å; L276-E327 HydrophobicContact CD2-CG 4.43Å
277R90.7Very high91.3Very high150 Ų15041.5 Ų41.557%0.56621%0.207SC*.Hα-helixtrans-63.7-44.4172.7-77.4-172.1-59.1-93.54.6111.7S273 A274 L275 G280 Q281S273-R277 WeakPolarHBondContact O-CG 3.46Å; S273-R277 PolarHBondContact O-N 3.28Å; A274-R277 WeakPolarHBondContact O-CB 3.41Å; A274-R277 PolarHBondContact O-N 3.11Å; L275-R277 VanDerWaalsContact C-N 3.28Å; L275-R277 PolarHBondContact O-N 3.15Å; R277-G280 PolarHBondContact O-N 3.38Å; R277-Q281 PolarHBondContact O-N 3.42Å
278S92.9Very high91.4Very high10 Ų1041.5 Ų41.57%0.0721%0.207CC..Hα-helixtrans-64.4-40.8177.7-177.40000112.1A274 L275 G280 Q281 S438A274-S278 PolarHBondContact O-N 2.56Å; L275-S278 PolarHBondContact O-N 2.75Å; L275-S278 VanDerWaalsContact O-N 3.11Å; S278-G280 VanDerWaalsContact C-N 3.34Å; S278-Q281 PolarHBondContact O-N 3.18Å; S278-S438 VanDerWaalsContact CB-OG 3.28Å; S278-S438 WeakPolarHBondContact CB-OG 3.48Å; S278-S438 WeakPolarHBondContact OG-CB 3.26Å; S278-S438 PolarHBondContact OG-OG 3.32Å
279I94.1Very high91.8Very high1 Ų139.6 Ų39.61%0.00520%0.197CC..Hα-helixtrans-62.6-45.9174-68.3172.1000109.9L275 L276 Q281 I282 V283 A324 A376 A379 I380 F435L275-I279 HydrophobicContact CD1-CD1 3.98Å; L275-I279 HydrophobicContact CD1-CG1 4.24Å; L275-I279 HydrophobicContact CG-CD1 3.98Å; L275-I279 WeakPolarHBondContact O-CG1 3.5Å; L275-I279 PolarHBondContact O-N 3.03Å; L276-I279 PolarHBondContact O-N 3.25Å; I279-Q281 PolarHBondContact O-N 3.3Å; I279-Q281 VanDerWaalsContact O-N 3.09Å; I279-I282 PolarHBondContact O-N 3.05Å; I279-V283 HydrophobicContact CG2-CB 3.92Å; I279-V283 HydrophobicContact CG2-CG2 4.23Å; I279-V283 PolarHBondContact O-N 3.4Å; I279-A324 HydrophobicContact CG2-CB 4.08Å; I279-A376 HydrophobicContact CD1-CB 4.45Å; I279-A376 HydrophobicContact CG1-CB 4.47Å; I279-A376 HydrophobicContact CG2-CB 4.18Å; I279-A379 HydrophobicContact CD1-CB 4.49Å; I279-I380 HydrophobicContact CD1-CD1 3.88Å; I279-I380 HydrophobicContact CD1-CG1 3.71Å; I279-F435 HydrophobicContact CB-CD1 4.29Å; I279-F435 HydrophobicContact CB-CE1 4.27Å; I279-F435 HydrophobicContact CG1-CB 4.2Å; I279-F435 HydrophobicContact CG1-CD1 3.58Å; I279-F435 HydrophobicContact CG1-CD2 4.25Å; I279-F435 HydrophobicContact CG1-CE1 3.94Å; I279-F435 HydrophobicContact CG1-CG 3.75Å; I279-F435 HydrophobicContact CG1-CZ 4.41Å
280G93.2Very high92.1Very high31 Ų3138.8 Ų38.832%0.3219%0.193SC..Hα-helixtrans-61.3-15-179.800000115.8L276 R277 S278 I282 V283L276-G280 PolarHBondContact O-N 3.09Å; R277-G280 PolarHBondContact O-N 3.38Å; S278-G280 VanDerWaalsContact C-N 3.34Å; G280-I282 VanDerWaalsContact C-N 3.34Å; G280-V283 WeakPolarHBondContact CA-O 3.41Å
281Q92.7Very high92.5Very high159 Ų15935.1 Ų35.174%0.74318%0.177SC*.THydrogen-bonded Turntrans-75.8-22.8173.2-73174.5-15.600113.1R277 S278 I279R277-Q281 PolarHBondContact O-N 3.42Å; S278-Q281 PolarHBondContact O-N 3.18Å; I279-Q281 PolarHBondContact O-N 3.3Å; I279-Q281 VanDerWaalsContact O-N 3.09Å
282I93.8Very high92.9Very high77 Ų7730.9 Ų30.940%0.39516%0.161SC..THydrogen-bonded Turntrans-120.2-47.9-173.3-55.8177.6000110.1I279 G280 P368 T372 L434 F435I279-I282 PolarHBondContact O-N 3.05Å; G280-I282 VanDerWaalsContact C-N 3.34Å; I282-P368 HydrophobicContact CG2-CB 4.28Å; I282-P368 HydrophobicContact CG2-CG 3.81Å; I282-P368 WeakPolarHBondContact O-CG 3.18Å; I282-T372 HydrophobicContact CG2-CG2 3.63Å; I282-L434 HydrophobicContact CD1-CD1 3.69Å; I282-F435 HydrophobicContact CB-CE1 4.4Å; I282-F435 HydrophobicContact CD1-CE1 3.92Å; I282-F435 HydrophobicContact CD1-CZ 4.35Å; I282-F435 HydrophobicContact CG1-CE1 4.47Å
283V94.5Very high93.2Very high1 Ų131 Ų311%0.00616%0.162CC..SBendtrans-96.7122.5177.7-176.80000108.3I279 G280 P325 P368 F373 A376I279-V283 HydrophobicContact CG2-CB 3.92Å; I279-V283 HydrophobicContact CG2-CG2 4.23Å; I279-V283 PolarHBondContact O-N 3.4Å; G280-V283 WeakPolarHBondContact CA-O 3.41Å; V283-P325 HydrophobicContact CG1-CG 3.48Å; V283-P325 VanDerWaalsContact CG1-CG 3.48Å; V283-P368 HydrophobicContact CG2-CG 4.25Å; V283-F373 HydrophobicContact CG1-CE1 4.18Å; V283-F373 HydrophobicContact CG1-CE2 4.26Å; V283-F373 HydrophobicContact CG1-CZ 3.91Å; V283-A376 HydrophobicContact CG2-CB 4.19Å
284P94.6Very high93.4Very high32 Ų3230.5 Ų30.521%0.20816%0.158CC..PPolyproline II helixtrans-65.7145.2-174.928.6-36000111.6L213 P325 L367L213-P284 HydrophobicContact CD1-CG 4.14Å; L213-P284 HydrophobicContact CD2-CB 3.59Å; L213-P284 HydrophobicContact CD2-CG 3.75Å; P284-P325 WeakPolarHBondContact O-CD 3.48Å; P284-L367 HydrophobicContact CG-CD2 3.88Å
285T94.5Very high93.5Very high31 Ų3130.7 Ų30.719%0.1916%0.158CC..PPolyproline II helixtrans-75.7145.717760.60000111.4Q322 G323T285-Q322 PolarHBondContact OG1-NE2 2.74Å; T285-Q322 VanDerWaalsContact OG1-NE2 3.15Å; T285-G323 WeakPolarHBondContact CA-O 3.35Å; T285-G323 WeakPolarHBondContact CB-O 3.32Å
286V95.6Very high93.7Very high0 Ų030.5 Ų30.50%016%0.157CC..EExtended strand (participates in β ladder)trans-138.9175.5-177.1-61.70000109.7H209 C212 L213 W219 G323 P325H209-V286 HydrophobicContact CB-CB 4.33Å; H209-V286 HydrophobicContact CB-CG1 3.98Å; H209-V286 HydrophobicContact CB-CG2 4.49Å; H209-V286 VanDerWaalsContact CD2-CG2 3.4Å; H209-V286 WeakPolarHBondContact CD2-CG2 3.44Å; C212-V286 HydrophobicContact CB-CB 4.07Å; C212-V286 HydrophobicContact CB-CG1 4.13Å; L213-V286 HydrophobicContact CD2-CG1 4.06Å; L213-V286 HydrophobicContact CG-CG1 4.16Å; W219-V286 VanDerWaalsContact CH2-C 3.45Å; V286-G323 PolarHBondContact N-O 3.49Å; V286-G323 PolarHBondContact O-N 3.3Å; V286-P325 VanDerWaalsContact CG2-CA 3.44Å; V286-P325 HydrophobicContact CG2-CB 3.81Å; V286-P325 HydrophobicContact CG2-CG 4.4Å
287L94.9Very high94Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-71.3135164.6-68.2172000109.5M118 F119 H209 W211 C212 W219 L223 I320M118-L287 HydrophobicContact CE-CD1 3.57Å; M118-L287 HydrophobicContact SD-CD1 4.27Å; F119-L287 HydrophobicContact CE1-CD1 4.1Å; F119-L287 HydrophobicContact CZ-CD1 4.47Å; H209-L287 PolarHBondContact CD2-O 2.94Å; H209-L287 PolarHBondContact NE2-O 3.27Å; H209-L287 VanDerWaalsContact NE2-O 3.14Å; W211-L287 HydrophobicContact CE3-CD1 4.46Å; W211-L287 HydrophobicContact CZ3-CD1 3.72Å; C212-L287 PolarHBondContact SG-N 3.38Å; C212-L287 VanDerWaalsContact SG-N 3.39Å; W219-L287 HydrophobicContact CD2-CD2 4.22Å; W219-L287 HydrophobicContact CD2-CG 4.05Å; W219-L287 HydrophobicContact CE3-CD1 4.46Å; W219-L287 HydrophobicContact CE3-CD2 3.4Å; W219-L287 HydrophobicContact CE3-CG 3.62Å; W219-L287 HydrophobicContact CZ3-CD2 3.81Å; W219-L287 HydrophobicContact CZ3-CG 3.98Å; L223-L287 HydrophobicContact CD1-CD2 3.3Å; L287-I320 HydrophobicContact CD1-CD1 4.27Å; L287-I320 HydrophobicContact CD2-CD1 4.28Å; L287-I320 HydrophobicContact CD2-CG1 4.36Å
288K94.2Very high94.2Very high7 Ų723 Ų233%0.0313%0.128CC..EExtended strand (participates in β ladder)trans-109.8146.2161.867.7178177.8-162.30109G290 I320 E321 E327 D328K288-G290 VanDerWaalsContact C-N 3.3Å; K288-I320 VanDerWaalsContact O-CA 3.24Å; K288-I320 WeakPolarHBondContact O-CA 3.39Å; K288-I320 VanDerWaalsContact O-CG1 3.25Å; K288-I320 WeakPolarHBondContact O-CG1 3.25Å; K288-E321 HydrophobicContact CD-CG 4.45Å; K288-E321 WeakPolarHBondContact CE-OE1 3.44Å; K288-E321 HydrophobicContact CG-CG 4.3Å; K288-E321 WeakPolarHBondContact CG-O 3.5Å; K288-E321 PolarHBondContact N-O 2.91Å; K288-E321 IonicContact NZ-OE1 2.88Å; K288-E321 PolarHBondContact NZ-OE1 2.88Å; K288-E321 PolarHBondContact O-N 3.05Å; K288-E327 HydrophobicContact CD-CB 4.1Å; K288-E327 HydrophobicContact CD-CG 4.46Å; K288-E327 VanDerWaalsContact CD-OE2 3.32Å; K288-E327 WeakPolarHBondContact CD-OE2 3.28Å; K288-E327 IonicContact NZ-OE1 3.79Å; K288-E327 PolarHBondContact NZ-OE1 3.35Å; K288-E327 IonicContact NZ-OE2 3.25Å; K288-E327 PolarHBondContact NZ-OE2 3.04Å; K288-D328 WeakPolarHBondContact CA-OD2 3.33Å; K288-D328 WeakPolarHBondContact CB-OD2 3.23Å
289H95.4Very high94.5Very high1 Ų122.5 Ų22.51%0.00512%0.124CC..  trans-61.6-37.5168.4-173.1-79.5000111.8D291 L292 I315 D316 W317 L319 I320 D328H289-D291 VanDerWaalsContact C-N 3.25Å; H289-D291 PolarHBondContact CE1-O 3.24Å; H289-D291 PolarHBondContact ND1-N 2.71Å; H289-D291 PolarHBondContact ND1-O 2.86Å; H289-D291 PolarHBondContact O-N 3.05Å; H289-L292 HydrophobicContact CB-CB 4.02Å; H289-L292 PolarHBondContact ND1-N 3.3Å; H289-I315 PolarHBondContact CE1-O 2.9Å; H289-I315 VanDerWaalsContact CE1-O 3.32Å; H289-I315 PolarHBondContact NE2-O 3.17Å; H289-D316 PolarHBondContact CE1-O 3.48Å; H289-W317 HydrophobicContact CB-CE3 4.3Å; H289-W317 HydrophobicContact CB-CZ3 3.99Å; H289-W317 AromaticContact CD2-CD2 3.56Å; H289-W317 AromaticContact CD2-CE2 3.71Å; H289-W317 AromaticContact CD2-CE3 3.47Å; H289-W317 VanDerWaalsContact CD2-CE3 3.47Å; H289-W317 AromaticContact CD2-CH2 3.79Å; H289-W317 AromaticContact CD2-CZ2 3.84Å; H289-W317 AromaticContact CD2-CZ3 3.61Å; H289-W317 AromaticContact NE2-CD2 3.95Å; H289-L319 CarbonylContact O-C 3.57Å; H289-I320 PolarHBondContact O-N 3.22Å; H289-D328 WeakPolarHBondContact CB-OD2 3.49Å; H289-D328 PolarHBondContact N-OD2 3.04Å
290G92.4Very high94.7Very high8 Ų827.8 Ų27.88%0.08215%0.147CC..SBendtrans89.2-32.7174.500000114.5K288 D328K288-G290 VanDerWaalsContact C-N 3.3Å; G290-D328 PolarHBondContact N-OD1 2.77Å
291D92.7Very high94.9Very high42 Ų4230.1 Ų30.123%0.22515%0.149CC..SBendtrans-131.450.1173.9-161.941.4000112H289 W293 N296 L319 H331H289-D291 VanDerWaalsContact C-N 3.25Å; H289-D291 PolarHBondContact CE1-O 3.24Å; H289-D291 PolarHBondContact ND1-N 2.71Å; H289-D291 PolarHBondContact ND1-O 2.86Å; H289-D291 PolarHBondContact O-N 3.05Å; D291-W293 VanDerWaalsContact O-CD1 3.29Å; D291-W293 PolarHBondContact O-N 3.38Å; D291-W293 PolarHBondContact OD2-NE1 3.06Å; D291-N296 PolarHBondContact O-ND2 3.17Å; D291-N296 PolarHBondContact OD2-ND2 3.41Å; D291-L319 HydrophobicContact CB-CD1 3.78Å; D291-H331 IonicContact OD1-NE2 2.72Å
292L95.8Very high95Very high0 Ų024.3 Ų24.30%013%0.125CC..  trans-82.994.3-179.7-171.471.7000112.1V201 L205 H289 I297 L314 D328 H331 L332V201-L292 HydrophobicContact CG1-CD2 3.78Å; V201-L292 HydrophobicContact CG1-CG 4.48Å; L205-L292 HydrophobicContact CD1-CD2 3.72Å; L205-L292 HydrophobicContact CD2-CD2 3.9Å; L205-L292 HydrophobicContact CG-CD2 4.06Å; H289-L292 HydrophobicContact CB-CB 4.02Å; H289-L292 PolarHBondContact ND1-N 3.3Å; L292-I297 HydrophobicContact CD1-CD1 4.31Å; L292-I297 HydrophobicContact CD1-CG1 4.14Å; L292-L314 HydrophobicContact CD1-CD1 4.08Å; L292-L314 HydrophobicContact CD1-CD2 3.97Å; L292-D328 HydrophobicContact CB-CB 4Å; L292-D328 HydrophobicContact CD2-CB 3.84Å; L292-H331 PolarHBondContact N-CD2 3.2Å; L292-H331 PolarHBondContact O-CD2 3.11Å; L292-L332 HydrophobicContact CG-CD1 4.23Å; L292-L332 WeakPolarHBondContact O-CA 3.36Å
293W94.5Very high95Very high24 Ų2430.3 Ų30.39%0.09115%0.152CC..SBendtrans-143.7174.8175.270.2-62000110.9I189 D291 N295 N296 I297 W335 S336 L395 V399I189-W293 HydrophobicContact CD1-CZ3 4.31Å; I189-W293 HydrophobicContact CG2-CZ3 4.49Å; D291-W293 VanDerWaalsContact O-CD1 3.29Å; D291-W293 PolarHBondContact O-N 3.38Å; D291-W293 PolarHBondContact OD2-NE1 3.06Å; W293-N295 HydrophobicContact CD2-CB 4.11Å; W293-N295 HydrophobicContact CE3-CB 4.43Å; W293-N295 HydrophobicContact CH2-CB 4.3Å; W293-N295 WeakPolarHBondContact CH2-ND2 3.36Å; W293-N295 HydrophobicContact CZ2-CB 3.88Å; W293-N295 WeakPolarHBondContact CZ2-ND2 3.16Å; W293-N295 VanDerWaalsContact CZ3-ND2 3.34Å; W293-N295 WeakPolarHBondContact CZ3-ND2 3.47Å; W293-N295 PolarHBondContact O-N 3.3Å; W293-N296 PolarHBondContact NE1-ND2 2.89Å; W293-N296 PolarHBondContact O-N 2.6Å; W293-I297 WeakPolarHBondContact O-CG1 3.41Å; W293-W335 HydrophobicContact CB-CB 4.34Å; W293-S336 WeakPolarHBondContact CA-OG 3.44Å; W293-S336 WeakPolarHBondContact CB-OG 3.44Å; W293-L395 HydrophobicContact CH2-CD2 4.49Å; W293-V399 HydrophobicContact CH2-CB 4.33Å; W293-V399 HydrophobicContact CH2-CG1 3.71Å; W293-V399 HydrophobicContact CH2-CG2 4.08Å; W293-V399 HydrophobicContact CZ3-CG1 4.01Å
294T93.5Very high94.9Very high1 Ų137.2 Ų37.21%0.00619%0.189CC..G310 helixtrans-46-36.9-171.6-62.10000114.6I186 I189 N296 I297 S336I186-T294 HydrophobicContact CB-CG2 3.46Å; I186-T294 VanDerWaalsContact CB-CG2 3.46Å; I186-T294 HydrophobicContact CD1-CG2 3.8Å; I186-T294 HydrophobicContact CG1-CG2 3.96Å; I186-T294 HydrophobicContact CG2-CG2 4.03Å; I189-T294 HydrophobicContact CG2-CG2 4.46Å; T294-N296 VanDerWaalsContact C-N 3.27Å; T294-N296 PolarHBondContact O-N 3.48Å; T294-I297 PolarHBondContact O-N 3.15Å; T294-S336 PolarHBondContact N-OG 3.37Å; T294-S336 WeakPolarHBondContact OG1-CB 3.45Å; T294-S336 PolarHBondContact OG1-OG 2.86Å
295N91.2Very high94.8Very high18 Ų1837.2 Ų37.210%0.09619%0.194CC..G310 helixtrans-74.4-15.8-177.8-73.8-13.2000114.5L185 I189 W293 V399L185-N295 VanDerWaalsContact CD2-O 3.32Å; L185-N295 WeakPolarHBondContact CD2-O 3.21Å; I189-N295 WeakPolarHBondContact CG2-OD1 3.05Å; W293-N295 HydrophobicContact CD2-CB 4.11Å; W293-N295 HydrophobicContact CE3-CB 4.43Å; W293-N295 HydrophobicContact CH2-CB 4.3Å; W293-N295 WeakPolarHBondContact CH2-ND2 3.36Å; W293-N295 HydrophobicContact CZ2-CB 3.88Å; W293-N295 WeakPolarHBondContact CZ2-ND2 3.16Å; W293-N295 VanDerWaalsContact CZ3-ND2 3.34Å; W293-N295 WeakPolarHBondContact CZ3-ND2 3.47Å; W293-N295 PolarHBondContact O-N 3.3Å; N295-V399 WeakPolarHBondContact ND2-CG1 3.34Å
296N94.6Very high94.8Very high12 Ų1239.8 Ų39.86%0.06421%0.21CC..G310 helixtrans-107.316.9-178.4-69.7-17.1000112D291 W293 T294 I315D291-N296 PolarHBondContact O-ND2 3.17Å; D291-N296 PolarHBondContact OD2-ND2 3.41Å; W293-N296 PolarHBondContact NE1-ND2 2.89Å; W293-N296 PolarHBondContact O-N 2.6Å; T294-N296 VanDerWaalsContact C-N 3.27Å; T294-N296 PolarHBondContact O-N 3.48Å; N296-I315 HydrophobicContact CB-CG1 4.44Å; N296-I315 WeakPolarHBondContact CB-O 3.24Å; N296-I315 PolarHBondContact O-N 3.12Å
297I97.2Very high94.8Very high0 Ų041.4 Ų41.40%022%0.22CC..EExtended strand (participates in β ladder)trans-126.5110.8-179-53.9166000108.9L185 M193 V201 L292 W293 T294 F299 V311 L314 L332L185-I297 WeakPolarHBondContact CD2-O 3.45Å; M193-I297 HydrophobicContact SD-CD1 4.24Å; V201-I297 HydrophobicContact CG1-CD1 4.49Å; V201-I297 HydrophobicContact CG2-CD1 3.94Å; V201-I297 HydrophobicContact CG2-CG2 4.27Å; L292-I297 HydrophobicContact CD1-CD1 4.31Å; L292-I297 HydrophobicContact CD1-CG1 4.14Å; W293-I297 WeakPolarHBondContact O-CG1 3.41Å; T294-I297 PolarHBondContact O-N 3.15Å; I297-F299 HydrophobicContact CB-CE2 3.91Å; I297-F299 HydrophobicContact CB-CZ 4.11Å; I297-F299 HydrophobicContact CG2-CD1 4.42Å; I297-F299 HydrophobicContact CG2-CD2 4.14Å; I297-F299 HydrophobicContact CG2-CE1 3.87Å; I297-F299 HydrophobicContact CG2-CE2 3.56Å; I297-F299 HydrophobicContact CG2-CZ 3.4Å; I297-V311 HydrophobicContact CG2-CB 4.48Å; I297-V311 HydrophobicContact CG2-CG1 4.01Å; I297-V311 HydrophobicContact CG2-CG2 3.78Å; I297-L314 HydrophobicContact CB-CD2 4.39Å; I297-L314 HydrophobicContact CG1-CD2 3.91Å; I297-L314 HydrophobicContact CG2-CD2 4.09Å; I297-L332 HydrophobicContact CD1-CD1 3.6Å
298L96.5Very high94.9Very high27 Ų2744.9 Ų44.914%0.14124%0.239CC..EExtended strand (participates in β ladder)trans-87.4119173.2-68.3176.2000109.1L179 A183 L185 V312 A313 I315L179-L298 HydrophobicContact CB-CD1 4.23Å; L179-L298 HydrophobicContact CD1-CD1 3.9Å; A183-L298 HydrophobicContact CB-CB 3.91Å; L185-L298 HydrophobicContact CD2-CD2 3.6Å; L185-L298 HydrophobicContact CD2-CG 4.41Å; L185-L298 HydrophobicContact CG-CD2 3.69Å; L298-V312 PolarHBondContact O-N 2.88Å; L298-A313 HydrophobicContact CB-CB 4.33Å; L298-A313 HydrophobicContact CD1-CB 4.28Å; L298-A313 PolarHBondContact N-O 2.88Å; L298-A313 PolarHBondContact O-N 3.04Å; L298-I315 HydrophobicContact CD1-CD1 4.3Å; L298-I315 HydrophobicContact CD1-CG2 3.71Å; L298-I315 HydrophobicContact CG-CD1 4.16Å; L298-I315 HydrophobicContact CG-CG2 4.23Å
299F98.1Very high95Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-98158.5176.7-65.6-83.8000111.3A183 A184 I186 M193 K197 I297 K301 P307 D308 K310 V311A183-F299 CarbonylContact C-O 3.43Å; A183-F299 WeakPolarHBondContact CA-O 3.18Å; A183-F299 WeakPolarHBondContact CB-O 3.34Å; A184-F299 PolarHBondContact N-O 2.85Å; A184-F299 PolarHBondContact O-N 3.16Å; I186-F299 HydrophobicContact CD1-CD2 4.41Å; I186-F299 HydrophobicContact CD1-CE2 3.88Å; I186-F299 HydrophobicContact CG1-CD2 4.1Å; I186-F299 HydrophobicContact CG1-CE2 3.99Å; M193-F299 HydrophobicContact SD-CE2 4.48Å; M193-F299 HydrophobicContact SD-CZ 3.79Å; K197-F299 HydrophobicContact CB-CE1 3.67Å; K197-F299 HydrophobicContact CB-CZ 4Å; K197-F299 HydrophobicContact CD-CD1 4.38Å; K197-F299 HydrophobicContact CD-CE1 3.98Å; K197-F299 HydrophobicContact CD-CE2 4.49Å; K197-F299 HydrophobicContact CD-CZ 4.03Å; K197-F299 HydrophobicContact CG-CD1 3.97Å; K197-F299 HydrophobicContact CG-CE1 3.5Å; K197-F299 HydrophobicContact CG-CZ 4Å; I297-F299 HydrophobicContact CB-CE2 3.91Å; I297-F299 HydrophobicContact CB-CZ 4.11Å; I297-F299 HydrophobicContact CG2-CD1 4.42Å; I297-F299 HydrophobicContact CG2-CD2 4.14Å; I297-F299 HydrophobicContact CG2-CE1 3.87Å; I297-F299 HydrophobicContact CG2-CE2 3.56Å; I297-F299 HydrophobicContact CG2-CZ 3.4Å; F299-K301 PolarHBondContact O-N 3.12Å; F299-P307 HydrophobicContact CB-CB 3.67Å; F299-P307 HydrophobicContact CD2-CB 4.26Å; F299-P307 HydrophobicContact CG-CB 4.25Å; F299-D308 WeakPolarHBondContact CB-O 3.47Å; F299-K310 CarbonylContact C-O 3.58Å; F299-K310 VanDerWaalsContact CA-O 3.25Å; F299-K310 WeakPolarHBondContact CA-O 3.03Å; F299-V311 HydrophobicContact CD1-CG2 4.1Å; F299-V311 HydrophobicContact CE1-CG2 3.76Å
300K98.5Very high95.1Very high113 Ų11352.4 Ų52.449%0.49127%0.274SS..EExtended strand (participates in β ladder)trans-57.7130.3175.8-176.7-179.8178.6-174.30109.5D308 K310 V312K300-D308 HydrophobicContact CB-CB 4.45Å; K300-D308 WeakPolarHBondContact O-CB 3.49Å; K300-D308 PolarHBondContact O-N 2.99Å; K300-K310 HydrophobicContact CB-CB 4.26Å; K300-K310 PolarHBondContact N-O 2.79Å; K300-V312 VanDerWaalsContact CA-CG2 3.48Å; K300-V312 HydrophobicContact CB-CG2 3.92Å
301K97.3Very high95.4Very high80 Ų8052.8 Ų52.835%0.34828%0.275SS..EExtended strand (participates in β ladder)trans-78.8122.8177.3-162.6171.7-164.2172.50109.4T180 S182 A184 F299T180-K301 PolarHBondContact O-NZ 3.44Å; S182-K301 WeakPolarHBondContact O-CB 3.24Å; S182-K301 PolarHBondContact O-N 3.31Å; A184-K301 HydrophobicContact CB-CB 4.37Å; A184-K301 HydrophobicContact CB-CG 4.17Å; F299-K301 PolarHBondContact O-N 3.12Å
302S95.8Very high95.7Very high36 Ų3652.9 Ų52.925%0.25228%0.277SS..PPolyproline II helixtrans-71.5169.9170640000111.3N304 G305 V306S302-N304 PolarHBondContact O-N 3.28Å; S302-N304 VanDerWaalsContact O-N 3.16Å; S302-G305 PolarHBondContact O-N 3.14Å; S302-V306 WeakPolarHBondContact CB-O 3.5Å; S302-V306 PolarHBondContact N-O 2.9Å; S302-V306 WeakPolarHBondContact OG-CG2 3.38Å; S302-V306 PolarHBondContact OG-N 3.05Å; S302-V306 PolarHBondContact OG-O 3.09Å
303E93.3Very high95.8Very high203 Ų20352.9 Ų52.995%0.94928%0.277SS*.THydrogen-bonded Turntrans-55.6-31.6175.4-64.9179.2178.200112.7G305E303-G305 VanDerWaalsContact C-N 3.26Å; E303-G305 PolarHBondContact O-N 2.76Å
304N92.9Very high95.9Very high147 Ų14751.8 Ų51.879%0.78627%0.272SS*.THydrogen-bonded Turntrans-85.16.6177.8-64.3-35.8000113.5S302 V306S302-N304 PolarHBondContact O-N 3.28Å; S302-N304 VanDerWaalsContact O-N 3.16Å; N304-V306 VanDerWaalsContact C-N 3.29Å; N304-V306 PolarHBondContact O-N 2.91Å
305G92.2Very high96Very high31 Ų3153.6 Ų53.632%0.3228%0.281SS..SBendtrans80.6-0.1178.200000115.6S302 E303S302-G305 PolarHBondContact O-N 3.14Å; E303-G305 VanDerWaalsContact C-N 3.26Å; E303-G305 PolarHBondContact O-N 2.76Å
306V93.6Very high96.1Very high86 Ų8654.3 Ų54.352%0.52129%0.285SS..  trans-92.4151.6-178.8-60.40000112.1S302 N304 D308S302-V306 WeakPolarHBondContact CB-O 3.5Å; S302-V306 PolarHBondContact N-O 2.9Å; S302-V306 WeakPolarHBondContact OG-CG2 3.38Å; S302-V306 PolarHBondContact OG-N 3.05Å; S302-V306 PolarHBondContact OG-O 3.09Å; N304-V306 VanDerWaalsContact C-N 3.29Å; N304-V306 PolarHBondContact O-N 2.91Å; V306-D308 PolarHBondContact O-N 2.9Å
307P96.1Very high96.1Very high33 Ų3353.7 Ų53.721%0.21428%0.282CS..EExtended strand (participates in β ladder)trans-70.7119-178.428-36.2000113.2A184 I186 K197 F299A184-P307 HydrophobicContact CB-CB 4.2Å; I186-P307 HydrophobicContact CG1-CB 4.43Å; I186-P307 HydrophobicContact CG1-CG 3.97Å; K197-P307 PolarHBondContact NZ-O 3.37Å; K197-P307 VanDerWaalsContact NZ-O 3.13Å; F299-P307 HydrophobicContact CB-CB 3.67Å; F299-P307 HydrophobicContact CD2-CB 4.26Å; F299-P307 HydrophobicContact CG-CB 4.25Å
308D96.3Very high95.9Very high74 Ų7454 Ų5440%0.39628%0.284SS..EExtended strand (participates in β ladder)trans-78.5-173.8169.3-163.20.4000110.9K197 F299 K300 V306K197-D308 WeakPolarHBondContact CE-O 3.17Å; K197-D308 PolarHBondContact NZ-O 3.04Å; F299-D308 WeakPolarHBondContact CB-O 3.47Å; K300-D308 HydrophobicContact CB-CB 4.45Å; K300-D308 WeakPolarHBondContact O-CB 3.49Å; K300-D308 PolarHBondContact O-N 2.99Å; V306-D308 PolarHBondContact O-N 2.9Å
309D97.6Very high95.7Very high46 Ų4654.4 Ų54.425%0.24629%0.286CS..EExtended strand (participates in β ladder)trans-85.5-8.1-169.1-67.4-21.7000115.2N194 A196 K197N194-D309 PolarHBondContact ND2-OD1 2.81Å; N194-D309 PolarHBondContact OD1-OD1 3.03Å; A196-D309 HydrophobicContact CB-CB 3.77Å; A196-D309 VanDerWaalsContact CB-OD2 3.27Å; A196-D309 WeakPolarHBondContact CB-OD2 3.4Å; K197-D309 HydrophobicContact CG-CB 4.22Å; K197-D309 IonicContact NZ-OD1 2.79Å; K197-D309 PolarHBondContact NZ-OD1 3.42Å
310K98.1Very high95.5Very high120 Ų12054.4 Ų54.452%0.52229%0.286SS..EExtended strand (participates in β ladder)trans-93.6129.2-178.5-69.4-58.6-178.9-176.30112.8D200 F299 K300D200-K310 WeakPolarHBondContact OD1-CD 3.26Å; D200-K310 IonicContact OD1-NZ 2.74Å; D200-K310 PolarHBondContact OD1-NZ 3.37Å; D200-K310 WeakPolarHBondContact OD2-CA 3.32Å; F299-K310 CarbonylContact C-O 3.58Å; F299-K310 VanDerWaalsContact CA-O 3.25Å; F299-K310 WeakPolarHBondContact CA-O 3.03Å; K300-K310 HydrophobicContact CB-CB 4.26Å; K300-K310 PolarHBondContact N-O 2.79Å
311V98.5Very high95.2Very high16 Ų1649.6 Ų49.610%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-73.8127.8173.9178.20000109.3P128 D200 V201 I204 I297 F299 L314P128-V311 HydrophobicContact CG-CG1 4.08Å; D200-V311 HydrophobicContact CB-CG2 4.34Å; D200-V311 PolarHBondContact OD2-N 2.85Å; V201-V311 HydrophobicContact CG2-CG2 3.72Å; I204-V311 HydrophobicContact CD1-CB 3.53Å; I204-V311 HydrophobicContact CD1-CG1 3.6Å; I204-V311 HydrophobicContact CD1-CG2 3.93Å; I297-V311 HydrophobicContact CG2-CB 4.48Å; I297-V311 HydrophobicContact CG2-CG1 4.01Å; I297-V311 HydrophobicContact CG2-CG2 3.78Å; F299-V311 HydrophobicContact CD1-CG2 4.1Å; F299-V311 HydrophobicContact CE1-CG2 3.76Å; V311-L314 HydrophobicContact CG1-CD2 3.94Å
312V98.1Very high95Very high44 Ų4450.1 Ų50.127%0.26727%0.268SS..EExtended strand (participates in β ladder)trans-93.1-38.4171.8173.70000111P128 L179 A183 L298 K300P128-V312 VanDerWaalsContact CB-O 3.3Å; P128-V312 WeakPolarHBondContact CB-O 3.28Å; L179-V312 HydrophobicContact CD1-CG1 4.22Å; L179-V312 HydrophobicContact CD2-CG1 4.22Å; A183-V312 HydrophobicContact CB-CB 3.92Å; A183-V312 HydrophobicContact CB-CG1 3.98Å; A183-V312 HydrophobicContact CB-CG2 4.14Å; L298-V312 PolarHBondContact O-N 2.88Å; K300-V312 VanDerWaalsContact CA-CG2 3.48Å; K300-V312 HydrophobicContact CB-CG2 3.92Å
313A97.5Very high94.7Very high0 Ų048.7 Ų48.70%026%0.259CS..EExtended strand (participates in β ladder)trans-159.6144.2177.700000112.8P128 P130 L179 L298 I315P128-A313 CarbonylContact O-C 3.55Å; P128-A313 WeakPolarHBondContact O-CA 3.25Å; P130-A313 HydrophobicContact CG-CB 4.17Å; L179-A313 HydrophobicContact CD1-CB 3.52Å; L298-A313 HydrophobicContact CB-CB 4.33Å; L298-A313 HydrophobicContact CD1-CB 4.28Å; L298-A313 PolarHBondContact N-O 2.88Å; L298-A313 PolarHBondContact O-N 3.04Å; A313-I315 HydrophobicContact CB-CG2 4.3Å
314L97.5Very high94.6Very high0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-91.8131.7159.6-55.8-173.3000108.7P128 I204 L292 I297 V311 W317P128-L314 PolarHBondContact O-N 2.93Å; I204-L314 HydrophobicContact CG2-CD1 3.69Å; I204-L314 HydrophobicContact CG2-CG 4.36Å; L292-L314 HydrophobicContact CD1-CD1 4.08Å; L292-L314 HydrophobicContact CD1-CD2 3.97Å; I297-L314 HydrophobicContact CB-CD2 4.39Å; I297-L314 HydrophobicContact CG1-CD2 3.91Å; I297-L314 HydrophobicContact CG2-CD2 4.09Å; V311-L314 HydrophobicContact CG1-CD2 3.94Å; L314-W317 HydrophobicContact CB-CZ2 3.8Å; L314-W317 HydrophobicContact CD1-CH2 4.35Å; L314-W317 HydrophobicContact CD1-CZ2 4.15Å; L314-W317 PolarHBondContact O-NE1 2.85Å; L314-W317 VanDerWaalsContact O-NE1 3.09Å
315I95.4Very high94.3Very high39 Ų3932.4 Ų32.420%0.218%0.18CC..  trans-125.8166.2-175.363.5171.3000111.1P130 H289 N296 L298 A313P130-I315 HydrophobicContact CG-CG2 3.64Å; H289-I315 PolarHBondContact CE1-O 2.9Å; H289-I315 VanDerWaalsContact CE1-O 3.32Å; H289-I315 PolarHBondContact NE2-O 3.17Å; N296-I315 HydrophobicContact CB-CG1 4.44Å; N296-I315 WeakPolarHBondContact CB-O 3.24Å; N296-I315 PolarHBondContact O-N 3.12Å; L298-I315 HydrophobicContact CD1-CD1 4.3Å; L298-I315 HydrophobicContact CD1-CG2 3.71Å; L298-I315 HydrophobicContact CG-CD1 4.16Å; L298-I315 HydrophobicContact CG-CG2 4.23Å; A313-I315 HydrophobicContact CB-CG2 4.3Å
316D93.8Very high94.4Very high33 Ų3331 Ų3118%0.17617%0.165CC..  trans67.758.7176-148.818.6000114.6K72 H289 Q318K72-D316 IonicContact NZ-OD1 2.85Å; K72-D316 PolarHBondContact NZ-OD1 3.3Å; H289-D316 PolarHBondContact CE1-O 3.48Å; D316-Q318 PolarHBondContact O-N 3.02Å; D316-Q318 VanDerWaalsContact OD1-CD 3.32Å; D316-Q318 WeakPolarHBondContact OD1-CG 3.38Å
317W94.8Very high94.6Very high0 Ų026.9 Ų26.90%014%0.14CC..G310 helixtrans-77.725.9179.6-65.289.2000113.7E112 A115 F119 I127 I129 L208 H289 L314 L319 I320E112-W317 HydrophobicContact CG-CB 4.3Å; A115-W317 HydrophobicContact CB-CB 3.87Å; F119-W317 AromaticContact CE2-CD2 3.77Å; F119-W317 HydrophobicContact CE2-CD2 3.77Å; F119-W317 AromaticContact CE2-CE2 3.95Å; F119-W317 AromaticContact CE2-CE3 3.8Å; F119-W317 HydrophobicContact CE2-CE3 3.8Å; F119-W317 HydrophobicContact CE2-CG 4.32Å; F119-W317 HydrophobicContact CE2-CH2 4.16Å; F119-W317 HydrophobicContact CE2-CZ2 4.15Å; F119-W317 AromaticContact CE2-CZ3 3.99Å; F119-W317 HydrophobicContact CE2-CZ3 3.99Å; F119-W317 HydrophobicContact CZ-CD2 4.48Å; F119-W317 HydrophobicContact CZ-CE3 4.07Å; F119-W317 HydrophobicContact CZ-CH2 4.16Å; F119-W317 AromaticContact CZ-CZ3 3.89Å; F119-W317 HydrophobicContact CZ-CZ3 3.89Å; I127-W317 HydrophobicContact CD1-CH2 3.72Å; I127-W317 HydrophobicContact CD1-CZ2 3.66Å; I129-W317 HydrophobicContact CG2-CZ2 3.71Å; L208-W317 HydrophobicContact CD2-CH2 3.84Å; L208-W317 HydrophobicContact CD2-CZ3 4.06Å; H289-W317 HydrophobicContact CB-CE3 4.3Å; H289-W317 HydrophobicContact CB-CZ3 3.99Å; H289-W317 AromaticContact CD2-CD2 3.56Å; H289-W317 AromaticContact CD2-CE2 3.71Å; H289-W317 AromaticContact CD2-CE3 3.47Å; H289-W317 VanDerWaalsContact CD2-CE3 3.47Å; H289-W317 AromaticContact CD2-CH2 3.79Å; H289-W317 AromaticContact CD2-CZ2 3.84Å; H289-W317 AromaticContact CD2-CZ3 3.61Å; H289-W317 AromaticContact NE2-CD2 3.95Å; L314-W317 HydrophobicContact CB-CZ2 3.8Å; L314-W317 HydrophobicContact CD1-CH2 4.35Å; L314-W317 HydrophobicContact CD1-CZ2 4.15Å; L314-W317 PolarHBondContact O-NE1 2.85Å; L314-W317 VanDerWaalsContact O-NE1 3.09Å; W317-L319 VanDerWaalsContact C-N 3.3Å; W317-L319 PolarHBondContact O-N 3.33Å; W317-I320 HydrophobicContact CB-CB 4.48Å; W317-I320 HydrophobicContact CE3-CB 4.13Å; W317-I320 HydrophobicContact CE3-CD1 3.63Å; W317-I320 HydrophobicContact CE3-CG1 3.9Å; W317-I320 HydrophobicContact CZ3-CD1 4Å; W317-I320 HydrophobicContact CZ3-CG1 4.31Å; W317-I320 WeakPolarHBondContact O-CB 3.37Å; W317-I320 WeakPolarHBondContact O-CG2 3.39Å; W317-I320 PolarHBondContact O-N 3.49Å
318Q93Very high94.6Very high6 Ų625.3 Ų25.33%0.02813%0.13CC..G310 helixtrans-66-32-176.5-69.1-171.9-16.300113.4C45 L108 N111 E112 D316C45-Q318 PolarHBondContact SG-NE2 3.11Å; L108-Q318 HydrophobicContact CB-CB 4.17Å; N111-Q318 PolarHBondContact ND2-O 2.83Å; E112-Q318 HydrophobicContact CB-CB 4.48Å; E112-Q318 HydrophobicContact CB-CG 3.72Å; E112-Q318 HydrophobicContact CG-CG 4.2Å; E112-Q318 WeakPolarHBondContact OE2-CG 3.35Å; E112-Q318 PolarHBondContact OE2-NE2 2.92Å; D316-Q318 PolarHBondContact O-N 3.02Å; D316-Q318 VanDerWaalsContact OD1-CD 3.32Å; D316-Q318 WeakPolarHBondContact OD1-CG 3.38Å
319L92.3Very high94.7Very high35 Ų3521.8 Ų21.818%0.18311%0.111CC..G310 helixtrans-97.513.3-179-65.1179.2000113.2L108 I226 F227 H289 D291 W317 E321L108-L319 HydrophobicContact CD2-CD2 3.41Å; L108-L319 VanDerWaalsContact CD2-CD2 3.41Å; L108-L319 HydrophobicContact CD2-CG 4.42Å; I226-L319 HydrophobicContact CG2-CD2 3.68Å; F227-L319 HydrophobicContact CE2-CD2 4.32Å; F227-L319 HydrophobicContact CZ-CD2 4.17Å; H289-L319 CarbonylContact O-C 3.57Å; D291-L319 HydrophobicContact CB-CD1 3.78Å; W317-L319 VanDerWaalsContact C-N 3.3Å; W317-L319 PolarHBondContact O-N 3.33Å; L319-E321 PolarHBondContact O-N 3.34Å
320I93.6Very high94.7Very high0 Ų019.6 Ų19.60%010%0.099CC..  trans-62.7128.1178.9-164.5-174.4000110.4N111 A115 M118 F119 L223 L287 K288 H289 W317N111-I320 PolarHBondContact ND2-O 2.91Å; A115-I320 HydrophobicContact CB-CD1 4.2Å; A115-I320 HydrophobicContact CB-CG2 3.69Å; M118-I320 HydrophobicContact CE-CD1 4.15Å; F119-I320 HydrophobicContact CE1-CD1 4.43Å; F119-I320 HydrophobicContact CE2-CD1 3.96Å; F119-I320 HydrophobicContact CZ-CD1 3.54Å; L223-I320 HydrophobicContact CD1-CD1 3.94Å; L223-I320 HydrophobicContact CD1-CG1 4.01Å; L223-I320 HydrophobicContact CD1-CG2 4Å; L223-I320 HydrophobicContact CD2-CG2 3.98Å; L287-I320 HydrophobicContact CD1-CD1 4.27Å; L287-I320 HydrophobicContact CD2-CD1 4.28Å; L287-I320 HydrophobicContact CD2-CG1 4.36Å; K288-I320 VanDerWaalsContact O-CA 3.24Å; K288-I320 WeakPolarHBondContact O-CA 3.39Å; K288-I320 VanDerWaalsContact O-CG1 3.25Å; K288-I320 WeakPolarHBondContact O-CG1 3.25Å; H289-I320 PolarHBondContact O-N 3.22Å; W317-I320 HydrophobicContact CB-CB 4.48Å; W317-I320 HydrophobicContact CE3-CB 4.13Å; W317-I320 HydrophobicContact CE3-CD1 3.63Å; W317-I320 HydrophobicContact CE3-CG1 3.9Å; W317-I320 HydrophobicContact CZ3-CD1 4Å; W317-I320 HydrophobicContact CZ3-CG1 4.31Å; W317-I320 WeakPolarHBondContact O-CB 3.37Å; W317-I320 WeakPolarHBondContact O-CG2 3.39Å; W317-I320 PolarHBondContact O-N 3.49Å
321E91.9Very high94.7Very high13 Ų1314.1 Ų14.16%0.0618%0.076CC..EExtended strand (participates in β ladder)trans-158.3176.4175.266.4177-177.900110.1I226 K288 L319 G323I226-E321 PolarHBondContact N-OE2 3.07Å; K288-E321 HydrophobicContact CD-CG 4.45Å; K288-E321 WeakPolarHBondContact CE-OE1 3.44Å; K288-E321 HydrophobicContact CG-CG 4.3Å; K288-E321 WeakPolarHBondContact CG-O 3.5Å; K288-E321 PolarHBondContact N-O 2.91Å; K288-E321 IonicContact NZ-OE1 2.88Å; K288-E321 PolarHBondContact NZ-OE1 2.88Å; K288-E321 PolarHBondContact O-N 3.05Å; L319-E321 PolarHBondContact O-N 3.34Å; E321-G323 PolarHBondContact O-N 3.33Å
322Q92.2Very high94.7Very high90 Ų9013.3 Ų13.342%0.4217%0.071SC..EExtended strand (participates in β ladder)trans-65.9131.6169.7-177.4-179.9-31.600110.5W219 T285W219-Q322 HydrophobicContact CH2-CG 4.35Å; W219-Q322 HydrophobicContact CZ3-CB 4.19Å; W219-Q322 HydrophobicContact CZ3-CG 4.12Å; T285-Q322 PolarHBondContact OG1-NE2 2.74Å; T285-Q322 VanDerWaalsContact OG1-NE2 3.15Å
323G91.1Very high94.7Very high6 Ų611.2 Ų11.26%0.0626%0.058CC..EExtended strand (participates in β ladder)trans-152.2-166.4177.400000113.2T285 V286 E321 E327T285-G323 WeakPolarHBondContact CA-O 3.35Å; T285-G323 WeakPolarHBondContact CB-O 3.32Å; V286-G323 PolarHBondContact N-O 3.49Å; V286-G323 PolarHBondContact O-N 3.3Å; E321-G323 PolarHBondContact O-N 3.33Å; G323-E327 WeakPolarHBondContact CA-OE1 3.3Å
324A90.1Very high94.8Very high6 Ų611.2 Ų11.25%0.056%0.058CC..  trans-94.8145.7169.800000110.8L276 I279 L326 E327 I380L276-A324 HydrophobicContact CD2-CB 4.14Å; I279-A324 HydrophobicContact CG2-CB 4.08Å; A324-L326 PolarHBondContact O-N 2.66Å; A324-E327 HydrophobicContact CB-CG 4.19Å; A324-E327 PolarHBondContact N-OE1 3.49Å; A324-E327 WeakPolarHBondContact O-CB 3.32Å; A324-E327 PolarHBondContact O-N 2.96Å; A324-I380 HydrophobicContact CB-CD1 4.03Å
325P87.5Confident94.8Very high2 Ų212.1 Ų12.11%0.0136%0.061CC..THydrogen-bonded Turntrans-58.1-22.2-174.516.6-29.4000115.3H209 V283 P284 V286 Y353 F373H209-P325 PolarHBondContact CE1-O 2.88Å; V283-P325 HydrophobicContact CG1-CG 3.48Å; V283-P325 VanDerWaalsContact CG1-CG 3.48Å; P284-P325 WeakPolarHBondContact O-CD 3.48Å; V286-P325 VanDerWaalsContact CG2-CA 3.44Å; V286-P325 HydrophobicContact CG2-CB 3.81Å; V286-P325 HydrophobicContact CG2-CG 4.4Å; P325-Y353 HydrophobicContact CB-CE1 4.36Å; P325-Y353 WeakPolarHBondContact CB-OH 3.25Å; P325-F373 HydrophobicContact CG-CE1 4.09Å
326L94.4Very high94.9Very high1 Ų110.2 Ų10.21%0.0055%0.052CC..Hα-helixtrans-94.2-6.5-175-65.1163.9000112.7A324 L329 A330 V350 Y353 F373 A376 F377 I380A324-L326 PolarHBondContact O-N 2.66Å; L326-L329 HydrophobicContact CD2-CD2 4.43Å; L326-A330 VanDerWaalsContact O-CB 3.23Å; L326-A330 WeakPolarHBondContact O-CB 3.5Å; L326-A330 PolarHBondContact O-N 3.06Å; L326-V350 HydrophobicContact CD2-CG1 3.9Å; L326-Y353 HydrophobicContact CD2-CD1 4.17Å; L326-Y353 HydrophobicContact CD2-CE1 4.12Å; L326-F373 HydrophobicContact CD1-CB 4.35Å; L326-F373 HydrophobicContact CD1-CD1 3.95Å; L326-F373 HydrophobicContact CD1-CG 4.44Å; L326-F373 WeakPolarHBondContact CD1-O 3.09Å; L326-F373 HydrophobicContact CD2-CD1 4.17Å; L326-F373 HydrophobicContact CG-CD1 4.19Å; L326-A376 HydrophobicContact CD1-CB 3.7Å; L326-F377 HydrophobicContact CD1-CB 4.11Å; L326-F377 HydrophobicContact CD2-CB 4.46Å; L326-F377 HydrophobicContact CD2-CD2 4.35Å; L326-I380 HydrophobicContact CB-CD1 3.95Å
327E95.8Very high95.1Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-63.1-51.6-179.1-76.1-169.1-112.900112.6W272 L276 K288 G323 A324 H331 I380 R384W272-E327 HydrophobicContact CH2-CG 4.33Å; W272-E327 HydrophobicContact CZ2-CG 4.21Å; W272-E327 WeakPolarHBondContact CZ2-OE2 3.41Å; L276-E327 HydrophobicContact CD2-CG 4.43Å; K288-E327 HydrophobicContact CD-CB 4.1Å; K288-E327 HydrophobicContact CD-CG 4.46Å; K288-E327 VanDerWaalsContact CD-OE2 3.32Å; K288-E327 WeakPolarHBondContact CD-OE2 3.28Å; K288-E327 IonicContact NZ-OE1 3.79Å; K288-E327 PolarHBondContact NZ-OE1 3.35Å; K288-E327 IonicContact NZ-OE2 3.25Å; K288-E327 PolarHBondContact NZ-OE2 3.04Å; G323-E327 WeakPolarHBondContact CA-OE1 3.3Å; A324-E327 HydrophobicContact CB-CG 4.19Å; A324-E327 PolarHBondContact N-OE1 3.49Å; A324-E327 WeakPolarHBondContact O-CB 3.32Å; A324-E327 PolarHBondContact O-N 2.96Å; E327-H331 WeakPolarHBondContact O-CB 3.47Å; E327-H331 PolarHBondContact O-N 3.11Å; E327-I380 HydrophobicContact CG-CD1 4.22Å; E327-I380 HydrophobicContact CG-CG2 4.34Å; E327-R384 IonicContact OE2-CZ 2.8Å; E327-R384 IonicContact OE2-NH2 2.94Å; E327-R384 PolarHBondContact OE2-NH2 3.41Å
328D97.6Very high95.2Very high1 Ų19.7 Ų9.71%0.0055%0.051CC..Hα-helixtrans-68.3-38.1178.6-74.9-26.2000111.5L205 K288 H289 G290 L292 H331 L332L205-D328 HydrophobicContact CD1-CB 4.14Å; L205-D328 HydrophobicContact CD2-CB 4.27Å; K288-D328 WeakPolarHBondContact CA-OD2 3.33Å; K288-D328 WeakPolarHBondContact CB-OD2 3.23Å; H289-D328 WeakPolarHBondContact CB-OD2 3.49Å; H289-D328 PolarHBondContact N-OD2 3.04Å; G290-D328 PolarHBondContact N-OD1 2.77Å; L292-D328 HydrophobicContact CB-CB 4Å; L292-D328 HydrophobicContact CD2-CB 3.84Å; D328-H331 PolarHBondContact O-N 3.24Å; D328-L332 VanDerWaalsContact O-CB 3.23Å; D328-L332 WeakPolarHBondContact O-CB 3.32Å; D328-L332 PolarHBondContact O-N 2.98Å
329L97.9Very high95.4Very high0 Ų09.6 Ų9.60%05%0.051CC..Hα-helixtrans-66.2-41.5179.4-171.358.8000111.6A202 L205 L326 L332 L333 V349 V350 Y353A202-L329 HydrophobicContact CB-CD1 4.36Å; L205-L329 HydrophobicContact CD1-CB 4.28Å; L205-L329 HydrophobicContact CD1-CD1 4.45Å; L326-L329 HydrophobicContact CD2-CD2 4.43Å; L329-L332 HydrophobicContact CD1-CD2 4.34Å; L329-L333 HydrophobicContact CD1-CD1 4.49Å; L329-L333 HydrophobicContact CG-CD1 4.2Å; L329-L333 WeakPolarHBondContact O-CB 3.5Å; L329-L333 WeakPolarHBondContact O-CD1 3.11Å; L329-L333 VanDerWaalsContact O-CG 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 3.28Å; L329-V349 HydrophobicContact CD1-CG1 3.88Å; L329-V349 HydrophobicContact CD2-CG1 4.44Å; L329-V350 HydrophobicContact CD2-CB 4.49Å; L329-V350 HydrophobicContact CD2-CG2 3.93Å; L329-Y353 HydrophobicContact CD2-CD1 4.06Å; L329-Y353 HydrophobicContact CD2-CD2 4.41Å; L329-Y353 HydrophobicContact CD2-CG 3.8Å
330A98.2Very high95.7Very high0 Ų011.6 Ų11.60%07%0.068CC..Hα-helixtrans-64.1-44.8173.300000111.3L326 L333 I334 F377 I380 R384L326-A330 VanDerWaalsContact O-CB 3.23Å; L326-A330 WeakPolarHBondContact O-CB 3.5Å; L326-A330 PolarHBondContact O-N 3.06Å; A330-L333 PolarHBondContact O-N 3.41Å; A330-I334 WeakPolarHBondContact O-CB 3.29Å; A330-I334 WeakPolarHBondContact O-CD1 3.46Å; A330-I334 VanDerWaalsContact O-CG1 3.25Å; A330-I334 WeakPolarHBondContact O-CG1 3.43Å; A330-I334 PolarHBondContact O-N 2.98Å; A330-F377 HydrophobicContact CB-CD2 4.12Å; A330-F377 HydrophobicContact CB-CE2 3.69Å; A330-F377 HydrophobicContact CB-CZ 4.36Å; A330-I380 HydrophobicContact CB-CG2 3.95Å; A330-R384 HydrophobicContact CB-CG 4.24Å
331H97.7Very high95.9Very high4 Ų412.4 Ų12.42%0.0197%0.071CC..Hα-helixtrans-59.3-48.1176.9-178.859.9000111.9D291 L292 E327 D328 L333 I334 W335 R384D291-H331 IonicContact OD1-NE2 2.72Å; L292-H331 PolarHBondContact N-CD2 3.2Å; L292-H331 PolarHBondContact O-CD2 3.11Å; E327-H331 WeakPolarHBondContact O-CB 3.47Å; E327-H331 PolarHBondContact O-N 3.11Å; D328-H331 PolarHBondContact O-N 3.24Å; H331-L333 PolarHBondContact O-N 3.37Å; H331-I334 PolarHBondContact O-N 3.43Å; H331-W335 AromaticContact CE1-CD1 3.72Å; H331-W335 AromaticContact CE1-CD2 3.43Å; H331-W335 VanDerWaalsContact CE1-CD2 3.43Å; H331-W335 AromaticContact CE1-CE2 3.59Å; H331-W335 AromaticContact CE1-CE3 3.92Å; H331-W335 AromaticContact CE1-CG 3.57Å; H331-W335 AromaticContact CE1-NE1 3.77Å; H331-W335 AromaticContact ND1-CD1 3.34Å; H331-W335 VanDerWaalsContact ND1-CD1 3.34Å; H331-W335 AromaticContact ND1-CD2 3.87Å; H331-W335 AromaticContact ND1-CE2 3.76Å; H331-W335 AromaticContact ND1-CG 3.65Å; H331-W335 AromaticContact ND1-NE1 3.44Å; H331-W335 PolarHBondContact ND1-NE1 3.4Å; H331-W335 WeakPolarHBondContact O-CB 3.28Å; H331-W335 PolarHBondContact O-N 2.98Å; H331-R384 HydrophobicContact CB-CG 4.4Å
332L98.3Very high96.2Very high0 Ų011.8 Ų11.80%07%0.068CC..Hα-helixtrans-54.8-53.9175.9-174.474.2000111.3M193 V201 L292 I297 D328 L329 I334 S336M193-L332 HydrophobicContact CE-CD1 3.22Å; M193-L332 HydrophobicContact CE-CD2 3.96Å; M193-L332 HydrophobicContact CE-CG 3.47Å; M193-L332 VanDerWaalsContact CE-CG 3.47Å; M193-L332 HydrophobicContact SD-CD1 4.41Å; V201-L332 HydrophobicContact CB-CD2 3.92Å; V201-L332 HydrophobicContact CG1-CD1 4.39Å; V201-L332 HydrophobicContact CG1-CD2 3.52Å; L292-L332 HydrophobicContact CG-CD1 4.23Å; L292-L332 WeakPolarHBondContact O-CA 3.36Å; I297-L332 HydrophobicContact CD1-CD1 3.6Å; D328-L332 VanDerWaalsContact O-CB 3.23Å; D328-L332 WeakPolarHBondContact O-CB 3.32Å; D328-L332 PolarHBondContact O-N 2.98Å; L329-L332 HydrophobicContact CD1-CD2 4.34Å; L332-I334 VanDerWaalsContact C-N 3.34Å; L332-I334 PolarHBondContact O-N 3.48Å; L332-S336 WeakPolarHBondContact O-CA 3.34Å; L332-S336 WeakPolarHBondContact O-CB 3.39Å; L332-S336 PolarHBondContact O-N 3.42Å
333L98.7Very high96.5Very high0 Ų014.7 Ų14.70%08%0.076CC..Hα-helixtrans-60-43.8-178.7-72.5167.4000111.5V198 L329 A330 H331 T337 F341 R342 Q346 V349 V350 F377V198-L333 HydrophobicContact CG1-CD2 4.05Å; L329-L333 HydrophobicContact CD1-CD1 4.49Å; L329-L333 HydrophobicContact CG-CD1 4.2Å; L329-L333 WeakPolarHBondContact O-CB 3.5Å; L329-L333 WeakPolarHBondContact O-CD1 3.11Å; L329-L333 VanDerWaalsContact O-CG 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 3.28Å; A330-L333 PolarHBondContact O-N 3.41Å; H331-L333 PolarHBondContact O-N 3.37Å; L333-T337 HydrophobicContact CD2-CG2 4.46Å; L333-T337 PolarHBondContact O-N 3.19Å; L333-T337 PolarHBondContact O-OG1 3.21Å; L333-F341 HydrophobicContact CD2-CD1 4.42Å; L333-F341 HydrophobicContact CD2-CE1 3.74Å; L333-R342 WeakPolarHBondContact O-CD 3.45Å; L333-Q346 HydrophobicContact CD1-CB 4.09Å; L333-Q346 HydrophobicContact CD2-CB 4.49Å; L333-V349 HydrophobicContact CD2-CG1 4.35Å; L333-V350 HydrophobicContact CD1-CG2 4.37Å; L333-F377 HydrophobicContact CD1-CE2 3.81Å; L333-F377 HydrophobicContact CD1-CZ 3.72Å
334I98.5Very high96.9Very high0 Ų021.3 Ų21.30%011%0.105CC..Hα-helixtrans-71.5-45.1-176.6-69.3162.3000111.9A330 H331 L332 R342 F381 R384 A385 L388 R417 A421A330-I334 WeakPolarHBondContact O-CB 3.29Å; A330-I334 WeakPolarHBondContact O-CD1 3.46Å; A330-I334 VanDerWaalsContact O-CG1 3.25Å; A330-I334 WeakPolarHBondContact O-CG1 3.43Å; A330-I334 PolarHBondContact O-N 2.98Å; H331-I334 PolarHBondContact O-N 3.43Å; L332-I334 VanDerWaalsContact C-N 3.34Å; L332-I334 PolarHBondContact O-N 3.48Å; I334-R342 PolarHBondContact O-NH1 3.25Å; I334-F381 HydrophobicContact CD1-CD1 4.13Å; I334-F381 HydrophobicContact CD1-CD2 3.69Å; I334-F381 HydrophobicContact CD1-CE1 4.13Å; I334-F381 HydrophobicContact CD1-CE2 3.71Å; I334-F381 HydrophobicContact CD1-CG 3.91Å; I334-F381 HydrophobicContact CD1-CZ 3.92Å; I334-F381 HydrophobicContact CG1-CD2 4.04Å; I334-F381 HydrophobicContact CG1-CE1 4.34Å; I334-F381 HydrophobicContact CG1-CE2 3.54Å; I334-F381 HydrophobicContact CG1-CZ 3.7Å; I334-R384 HydrophobicContact CD1-CB 3.45Å; I334-R384 VanDerWaalsContact CD1-CB 3.45Å; I334-A385 HydrophobicContact CD1-CB 4.38Å; I334-L388 HydrophobicContact CG2-CB 4.46Å; I334-L388 HydrophobicContact CG2-CD2 4.05Å; I334-R417 WeakPolarHBondContact O-CD 3.37Å; I334-A421 HydrophobicContact CG2-CB 3.94Å
335W97.2Very high97.3Very high18 Ų1823 Ų237%0.06811%0.111CC..Hα-helixtrans-88.7-27.5-170.5-7356.8000112.7W293 H331 R384 L387 L388 F391 L395 R417W293-W335 HydrophobicContact CB-CB 4.34Å; H331-W335 AromaticContact CE1-CD1 3.72Å; H331-W335 AromaticContact CE1-CD2 3.43Å; H331-W335 VanDerWaalsContact CE1-CD2 3.43Å; H331-W335 AromaticContact CE1-CE2 3.59Å; H331-W335 AromaticContact CE1-CE3 3.92Å; H331-W335 AromaticContact CE1-CG 3.57Å; H331-W335 AromaticContact CE1-NE1 3.77Å; H331-W335 AromaticContact ND1-CD1 3.34Å; H331-W335 VanDerWaalsContact ND1-CD1 3.34Å; H331-W335 AromaticContact ND1-CD2 3.87Å; H331-W335 AromaticContact ND1-CE2 3.76Å; H331-W335 AromaticContact ND1-CG 3.65Å; H331-W335 AromaticContact ND1-NE1 3.44Å; H331-W335 PolarHBondContact ND1-NE1 3.4Å; H331-W335 WeakPolarHBondContact O-CB 3.28Å; H331-W335 PolarHBondContact O-N 2.98Å; W335-R384 PolarHBondContact NE1-O 2.86Å; W335-R384 VanDerWaalsContact NE1-O 3.12Å; W335-L387 HydrophobicContact CZ2-CB 4.1Å; W335-L388 HydrophobicContact CD2-CB 4.44Å; W335-L388 HydrophobicContact CD2-CD1 3.92Å; W335-L388 HydrophobicContact CE3-CD1 4.08Å; W335-L388 HydrophobicContact CG-CD1 4.45Å; W335-L388 HydrophobicContact CH2-CD1 4.36Å; W335-L388 VanDerWaalsContact CZ2-CA 3.44Å; W335-L388 HydrophobicContact CZ2-CB 3.92Å; W335-L388 HydrophobicContact CZ2-CD1 4.2Å; W335-L388 HydrophobicContact CZ3-CD1 4.3Å; W335-F391 HydrophobicContact CH2-CB 3.79Å; W335-F391 HydrophobicContact CH2-CG 4.09Å; W335-L395 HydrophobicContact CZ3-CD1 4.01Å; W335-L395 HydrophobicContact CZ3-CD2 4.44Å; W335-R417 PolarHBondContact O-NH1 2.94Å
336S97.6Very high97.8Very high0 Ų023.8 Ų23.80%012%0.115CC..Hα-helixtrans-115.33.5-169.2-57.80000114.8G192 M193 W293 T294 L332G192-S336 CarbonylContact C-O 3.51Å; G192-S336 VanDerWaalsContact CA-O 3.28Å; G192-S336 WeakPolarHBondContact CA-O 3.47Å; M193-S336 VanDerWaalsContact CE-CB 3.47Å; M193-S336 PolarHBondContact N-O 2.89Å; W293-S336 WeakPolarHBondContact CA-OG 3.44Å; W293-S336 WeakPolarHBondContact CB-OG 3.44Å; T294-S336 PolarHBondContact N-OG 3.37Å; T294-S336 WeakPolarHBondContact OG1-CB 3.45Å; T294-S336 PolarHBondContact OG1-OG 2.86Å; L332-S336 WeakPolarHBondContact O-CA 3.34Å; L332-S336 WeakPolarHBondContact O-CB 3.39Å; L332-S336 PolarHBondContact O-N 3.42Å
337T98.5Very high97.9Very high0 Ų028.4 Ų28.40%013%0.132CC..SBendtrans-132.5154176.277.10000111.2M193 V198 L333 F341 R342 R417M193-T337 HydrophobicContact CB-CG2 4.47Å; V198-T337 HydrophobicContact CG2-CG2 3.75Å; L333-T337 HydrophobicContact CD2-CG2 4.46Å; L333-T337 PolarHBondContact O-N 3.19Å; L333-T337 PolarHBondContact O-OG1 3.21Å; T337-F341 HydrophobicContact CG2-CD1 3.64Å; T337-F341 HydrophobicContact CG2-CE1 3.76Å; T337-F341 HydrophobicContact CG2-CG 4.21Å; T337-F341 HydrophobicContact CG2-CZ 4.41Å; T337-F341 VanDerWaalsContact OG1-CD1 3.29Å; T337-F341 WeakPolarHBondContact OG1-CD1 3.31Å; T337-R342 PolarHBondContact O-NH1 2.58Å; T337-R342 VanDerWaalsContact O-NH1 3.15Å; T337-R342 VanDerWaalsContact OG1-CG 3.25Å; T337-R342 WeakPolarHBondContact OG1-CG 3.48Å; T337-R417 WeakPolarHBondContact O-CD 3.41Å; T337-R417 PolarHBondContact O-NE 3.43Å; T337-R417 VanDerWaalsContact O-NE 3.17Å
338S97.8Very high98Very high22 Ų2231.7 Ų31.715%0.15416%0.155CC..  trans-69.2162.5177.564.30000111.6S340 F341 R342 E413S338-S340 VanDerWaalsContact C-N 3.28Å; S338-S340 PolarHBondContact O-N 2.88Å; S338-S340 PolarHBondContact OG-OG 3.32Å; S338-S340 VanDerWaalsContact OG-OG 3.05Å; S338-F341 WeakPolarHBondContact O-CB 3.4Å; S338-F341 PolarHBondContact O-N 3.25Å; S338-F341 WeakPolarHBondContact OG-CB 3.26Å; S338-F341 PolarHBondContact OG-N 3.03Å; S338-R342 PolarHBondContact O-N 2.93Å; S338-E413 WeakPolarHBondContact CB-OE1 3.18Å
339A97.7Very high98.1Very high4 Ų431.6 Ų31.63%0.03315%0.154CC..Hα-helixtrans-62.2-37.3175.900000112.3R342 R343 A420A339-R342 PolarHBondContact O-N 3Å; A339-R343 WeakPolarHBondContact O-CG 3.35Å; A339-R343 PolarHBondContact O-N 3.16Å; A339-R343 PolarHBondContact O-NE 3.38Å; A339-A420 HydrophobicContact CB-CB 3.36Å
340S97.7Very high98.1Very high76 Ų7631.6 Ų31.653%0.53115%0.154SC..Hα-helixtrans-63-46175.642.20000111.4S338 R342 R343 E344S338-S340 VanDerWaalsContact C-N 3.28Å; S338-S340 PolarHBondContact O-N 2.88Å; S338-S340 PolarHBondContact OG-OG 3.32Å; S338-S340 VanDerWaalsContact OG-OG 3.05Å; S340-R342 PolarHBondContact O-N 2.94Å; S340-R343 PolarHBondContact O-N 3.32Å; S340-E344 WeakPolarHBondContact O-CB 3.32Å; S340-E344 PolarHBondContact O-N 3.18Å; S340-E344 VanDerWaalsContact O-N 3.09Å
341F98.6Very high98.1Very high17 Ų1733.9 Ų33.98%0.07517%0.167CC..Hα-helixtrans-55.5-49.4173.5179.7-80.6000111.9L195 V198 L333 T337 S338 R343 E344 H345 V349L195-F341 HydrophobicContact CB-CE2 3.98Å; L195-F341 HydrophobicContact CD1-CE2 4.12Å; L195-F341 HydrophobicContact CD1-CZ 3.89Å; V198-F341 HydrophobicContact CB-CZ 3.99Å; V198-F341 HydrophobicContact CG1-CE1 4.38Å; V198-F341 HydrophobicContact CG1-CZ 4.13Å; V198-F341 HydrophobicContact CG2-CE1 4.17Å; V198-F341 HydrophobicContact CG2-CE2 4.43Å; V198-F341 HydrophobicContact CG2-CZ 3.76Å; L333-F341 HydrophobicContact CD2-CD1 4.42Å; L333-F341 HydrophobicContact CD2-CE1 3.74Å; T337-F341 HydrophobicContact CG2-CD1 3.64Å; T337-F341 HydrophobicContact CG2-CE1 3.76Å; T337-F341 HydrophobicContact CG2-CG 4.21Å; T337-F341 HydrophobicContact CG2-CZ 4.41Å; T337-F341 VanDerWaalsContact OG1-CD1 3.29Å; T337-F341 WeakPolarHBondContact OG1-CD1 3.31Å; S338-F341 WeakPolarHBondContact O-CB 3.4Å; S338-F341 PolarHBondContact O-N 3.25Å; S338-F341 WeakPolarHBondContact OG-CB 3.26Å; S338-F341 PolarHBondContact OG-N 3.03Å; F341-R343 PolarHBondContact O-N 3.29Å; F341-E344 PolarHBondContact O-N 2.99Å; F341-H345 HydrophobicContact CD1-CB 4.4Å; F341-H345 AromaticContact CD2-CD2 3.59Å; F341-H345 HydrophobicContact CE1-CB 3.99Å; F341-H345 HydrophobicContact CE2-CB 4.23Å; F341-H345 AromaticContact CE2-CD2 3.59Å; F341-H345 HydrophobicContact CZ-CB 3.9Å; F341-H345 WeakPolarHBondContact O-CB 3.38Å; F341-H345 PolarHBondContact O-N 3.08Å; F341-V349 HydrophobicContact CZ-CG2 4.4Å
342R98.3Very high98.2Very high0 Ų039.2 Ų39.20%019%0.187CC..Hα-helixtrans-61.6-46.6-178-72.2-160.8-58.8-84.21.9111.8L333 I334 T337 S338 A339 S340 E344 Q346 R417 E424L333-R342 WeakPolarHBondContact O-CD 3.45Å; I334-R342 PolarHBondContact O-NH1 3.25Å; T337-R342 PolarHBondContact O-NH1 2.58Å; T337-R342 VanDerWaalsContact O-NH1 3.15Å; T337-R342 VanDerWaalsContact OG1-CG 3.25Å; T337-R342 WeakPolarHBondContact OG1-CG 3.48Å; S338-R342 PolarHBondContact O-N 2.93Å; A339-R342 PolarHBondContact O-N 3Å; S340-R342 PolarHBondContact O-N 2.94Å; R342-E344 PolarHBondContact O-N 3.29Å; R342-Q346 VanDerWaalsContact O-CB 3.26Å; R342-Q346 WeakPolarHBondContact O-CB 3.27Å; R342-Q346 VanDerWaalsContact O-CD 3.32Å; R342-Q346 WeakPolarHBondContact O-CG 3.35Å; R342-Q346 PolarHBondContact O-N 3.23Å; R342-Q346 VanDerWaalsContact O-N 3.11Å; R342-R417 PolarHBondContact NH2-O 3.48Å; R342-E424 IonicContact CZ-OE2 3.65Å; R342-E424 VanDerWaalsContact CZ-OE2 3.31Å; R342-E424 IonicContact NE-OE1 2.82Å; R342-E424 IonicContact NE-OE2 3.5Å; R342-E424 PolarHBondContact NE-OE2 3.44Å; R342-E424 IonicContact NH2-OE1 2.94Å; R342-E424 IonicContact NH2-OE2 3.46Å; R342-E424 PolarHBondContact NH2-OE2 3.1Å
343R97.6Very high98.2Very high152 Ų15239.2 Ų39.257%0.57419%0.187SC*.Hα-helixtrans-57.3-37.8177.6-75.5-173.7-95-102.513.7112.4A339 S340 F341 E424A339-R343 WeakPolarHBondContact O-CG 3.35Å; A339-R343 PolarHBondContact O-N 3.16Å; A339-R343 PolarHBondContact O-NE 3.38Å; S340-R343 PolarHBondContact O-N 3.32Å; F341-R343 PolarHBondContact O-N 3.29Å; R343-E424 IonicContact NH1-OE1 2.75Å
344E98.4Very high98.2Very high144 Ų14440.1 Ų40.167%0.67319%0.19SC*.Hα-helixtrans-83.9-41.2-177.4-164.8177.115900113.5S340 F341 R342S340-E344 WeakPolarHBondContact O-CB 3.32Å; S340-E344 PolarHBondContact O-N 3.18Å; S340-E344 VanDerWaalsContact O-N 3.09Å; F341-E344 PolarHBondContact O-N 2.99Å; R342-E344 PolarHBondContact O-N 3.29Å
345H98.6Very high98.2Very high41 Ų4143.7 Ų43.719%0.1921%0.207CC..Hα-helixtrans-120.1-16.9-161.7-60.6-48.3000115.8L195 F341 R347 C348 V349L195-H345 HydrophobicContact CD1-CB 3.99Å; F341-H345 HydrophobicContact CD1-CB 4.4Å; F341-H345 AromaticContact CD2-CD2 3.59Å; F341-H345 HydrophobicContact CE1-CB 3.99Å; F341-H345 HydrophobicContact CE2-CB 4.23Å; F341-H345 AromaticContact CE2-CD2 3.59Å; F341-H345 HydrophobicContact CZ-CB 3.9Å; F341-H345 WeakPolarHBondContact O-CB 3.38Å; F341-H345 PolarHBondContact O-N 3.08Å; H345-R347 VanDerWaalsContact C-N 3.33Å; H345-R347 PolarHBondContact O-N 3.39Å; H345-C348 WeakPolarHBondContact O-CA 3.15Å; H345-C348 WeakPolarHBondContact O-CB 3.34Å; H345-C348 PolarHBondContact O-N 3.03Å; H345-V349 HydrophobicContact CB-CG2 4.46Å; H345-V349 WeakPolarHBondContact O-CG2 3.36Å; H345-V349 PolarHBondContact O-N 3.43Å
346Q97.9Very high98.3Very high19 Ų1943.5 Ų43.59%0.08921%0.207CC..Hα-helixtrans-59.6-40.5-168.672.9-172.8-1200113.5L333 R342 C348 V349 V350 W374 Y428L333-Q346 HydrophobicContact CD1-CB 4.09Å; L333-Q346 HydrophobicContact CD2-CB 4.49Å; R342-Q346 VanDerWaalsContact O-CB 3.26Å; R342-Q346 WeakPolarHBondContact O-CB 3.27Å; R342-Q346 VanDerWaalsContact O-CD 3.32Å; R342-Q346 WeakPolarHBondContact O-CG 3.35Å; R342-Q346 PolarHBondContact O-N 3.23Å; R342-Q346 VanDerWaalsContact O-N 3.11Å; Q346-C348 VanDerWaalsContact C-N 3.35Å; Q346-C348 PolarHBondContact O-N 2.83Å; Q346-V349 PolarHBondContact O-N 2.87Å; Q346-V350 WeakPolarHBondContact O-CG2 3.4Å; Q346-V350 PolarHBondContact O-N 2.99Å; Q346-W374 HydrophobicContact CG-CH2 4.04Å; Q346-Y428 PolarHBondContact NE2-OH 3.5Å
347R98.1Very high98.3Very high98 Ų9843.6 Ų43.637%0.3721%0.208SC..Hα-helixtrans-66-39177.2-170.2178.8176.187.7-0.8111.5H345 N351 F370 E371 W374H345-R347 VanDerWaalsContact C-N 3.33Å; H345-R347 PolarHBondContact O-N 3.39Å; R347-N351 VanDerWaalsContact O-CB 3.29Å; R347-N351 WeakPolarHBondContact O-CB 3.41Å; R347-N351 PolarHBondContact O-N 3.24Å; R347-F370 HydrophobicContact CG-CE1 4.48Å; R347-F370 HydrophobicContact CG-CZ 3.88Å; R347-E371 IonicContact CZ-OE2 2.73Å; R347-E371 IonicContact NH1-OE2 2.85Å; R347-E371 VanDerWaalsContact NH2-CD 3.27Å; R347-E371 IonicContact NH2-OE1 2.67Å; R347-E371 PolarHBondContact NH2-OE1 3.43Å; R347-E371 IonicContact NH2-OE2 2.76Å; R347-E371 PolarHBondContact NH2-OE2 3Å; R347-W374 VanDerWaalsContact CA-CZ3 3.49Å; R347-W374 HydrophobicContact CB-CE3 4.42Å; R347-W374 HydrophobicContact CB-CH2 3.76Å; R347-W374 HydrophobicContact CB-CZ2 4.28Å; R347-W374 HydrophobicContact CB-CZ3 3.84Å; R347-W374 HydrophobicContact CG-CD2 4.26Å; R347-W374 HydrophobicContact CG-CE3 4.01Å; R347-W374 HydrophobicContact CG-CH2 4.1Å; R347-W374 HydrophobicContact CG-CZ2 4.31Å; R347-W374 HydrophobicContact CG-CZ3 3.95Å
348C98.2Very high98.3Very high69 Ų6945.7 Ų45.747%0.46622%0.222SC..Hα-helixtrans-63.9-42.6175-177.20000111.6H345 Q346 N351 R352H345-C348 WeakPolarHBondContact O-CA 3.15Å; H345-C348 WeakPolarHBondContact O-CB 3.34Å; H345-C348 PolarHBondContact O-N 3.03Å; Q346-C348 VanDerWaalsContact C-N 3.35Å; Q346-C348 PolarHBondContact O-N 2.83Å; C348-N351 PolarHBondContact O-N 3.3Å; C348-R352 WeakPolarHBondContact O-CB 3.42Å; C348-R352 PolarHBondContact O-N 3.22Å
349V98.7Very high98.3Very high0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-62.8-48.5177.31710000110.8L195 V198 M199 A202 L329 L333 F341 H345 Q346 N351 R352 Y353L195-V349 HydrophobicContact CD1-CG2 3.9Å; V198-V349 HydrophobicContact CG1-CB 4.37Å; V198-V349 HydrophobicContact CG1-CG1 3.65Å; V198-V349 HydrophobicContact CG1-CG2 3.76Å; M199-V349 HydrophobicContact CE-CB 4.48Å; M199-V349 HydrophobicContact CE-CG2 3.87Å; M199-V349 HydrophobicContact SD-CG2 4.35Å; A202-V349 HydrophobicContact CB-CG1 4.35Å; L329-V349 HydrophobicContact CD1-CG1 3.88Å; L329-V349 HydrophobicContact CD2-CG1 4.44Å; L333-V349 HydrophobicContact CD2-CG1 4.35Å; F341-V349 HydrophobicContact CZ-CG2 4.4Å; H345-V349 HydrophobicContact CB-CG2 4.46Å; H345-V349 WeakPolarHBondContact O-CG2 3.36Å; H345-V349 PolarHBondContact O-N 3.43Å; Q346-V349 PolarHBondContact O-N 2.87Å; V349-N351 VanDerWaalsContact C-N 3.34Å; V349-N351 PolarHBondContact O-N 2.92Å; V349-R352 PolarHBondContact O-N 3.39Å; V349-Y353 WeakPolarHBondContact O-CB 3.36Å; V349-Y353 PolarHBondContact O-N 3.37Å
350V98.6Very high98.3Very high0 Ų052.5 Ų52.50%025%0.253CS..Hα-helixtrans-63.8-40.1178.9177.60000111.4L326 L329 L333 Q346 Y353 H354 F370 W374 F377L326-V350 HydrophobicContact CD2-CG1 3.9Å; L329-V350 HydrophobicContact CD2-CB 4.49Å; L329-V350 HydrophobicContact CD2-CG2 3.93Å; L333-V350 HydrophobicContact CD1-CG2 4.37Å; Q346-V350 WeakPolarHBondContact O-CG2 3.4Å; Q346-V350 PolarHBondContact O-N 2.99Å; V350-Y353 PolarHBondContact O-N 3.3Å; V350-H354 WeakPolarHBondContact O-CB 3.23Å; V350-H354 PolarHBondContact O-N 2.86Å; V350-F370 HydrophobicContact CG1-CE2 4.14Å; V350-W374 HydrophobicContact CB-CE3 4.08Å; V350-W374 HydrophobicContact CB-CZ3 4Å; V350-W374 HydrophobicContact CG1-CE3 4.03Å; V350-W374 HydrophobicContact CG1-CZ3 4.39Å; V350-W374 HydrophobicContact CG2-CE3 4.41Å; V350-W374 HydrophobicContact CG2-CZ3 3.96Å; V350-F377 HydrophobicContact CG1-CB 4.49Å; V350-F377 HydrophobicContact CG2-CD1 4.42Å; V350-F377 HydrophobicContact CG2-CD2 3.63Å; V350-F377 HydrophobicContact CG2-CE1 4.47Å; V350-F377 HydrophobicContact CG2-CE2 3.66Å; V350-F377 HydrophobicContact CG2-CG 4.02Å; V350-F377 HydrophobicContact CG2-CZ 4.11Å
351N98.6Very high98.2Very high48 Ų4849 Ų4926%0.25723%0.228SC..Hα-helixtrans-62.2-45.8174.5-175.240.4000111.6R347 C348 V349 Y353 H354 Q355 F370R347-N351 VanDerWaalsContact O-CB 3.29Å; R347-N351 WeakPolarHBondContact O-CB 3.41Å; R347-N351 PolarHBondContact O-N 3.24Å; C348-N351 PolarHBondContact O-N 3.3Å; V349-N351 VanDerWaalsContact C-N 3.34Å; V349-N351 PolarHBondContact O-N 2.92Å; N351-Y353 VanDerWaalsContact C-N 3.33Å; N351-Y353 PolarHBondContact O-N 2.99Å; N351-H354 PolarHBondContact O-N 3.24Å; N351-Q355 WeakPolarHBondContact O-CG 3.19Å; N351-Q355 PolarHBondContact O-N 3.07Å; N351-F370 HydrophobicContact CB-CD2 3.96Å; N351-F370 HydrophobicContact CB-CE1 4.26Å; N351-F370 HydrophobicContact CB-CE2 3.49Å; N351-F370 VanDerWaalsContact CB-CE2 3.49Å; N351-F370 HydrophobicContact CB-CZ 3.65Å
352R98.6Very high98Very high116 Ų11656.3 Ų56.344%0.43826%0.26SS..Hα-helixtrans-64.3-40.7179.2-173.355.2175.51782.7111.7M199 C348 V349 Q355 M356M199-R352 HydrophobicContact CE-CB 4.08Å; M199-R352 HydrophobicContact CE-CG 4.36Å; M199-R352 HydrophobicContact SD-CB 3.87Å; M199-R352 HydrophobicContact SD-CG 3.75Å; C348-R352 WeakPolarHBondContact O-CB 3.42Å; C348-R352 PolarHBondContact O-N 3.22Å; V349-R352 PolarHBondContact O-N 3.39Å; R352-Q355 PolarHBondContact O-N 3.27Å; R352-M356 HydrophobicContact CG-CE 4.03Å; R352-M356 HydrophobicContact CG-SD 4.36Å; R352-M356 WeakPolarHBondContact O-CB 3.42Å; R352-M356 WeakPolarHBondContact O-CE 3.25Å; R352-M356 VanDerWaalsContact O-CG 3.28Å; R352-M356 WeakPolarHBondContact O-CG 3.35Å; R352-M356 PolarHBondContact O-N 3.13Å
353Y98.6Very high97.8Very high0 Ų059.5 Ų59.50%029%0.293CS..Hα-helixtrans-56.8-49.1171.9163.8-95.1000111.7L205 A206 H209 P325 L326 L329 V349 V350 N351 Q355 M356 L357 F373L205-Y353 HydrophobicContact CB-CD2 4.3Å; L205-Y353 HydrophobicContact CB-CE2 4.03Å; A206-Y353 HydrophobicContact CB-CD2 4.01Å; A206-Y353 HydrophobicContact CB-CE2 4.03Å; H209-Y353 AromaticContact ND1-CE2 3.58Å; H209-Y353 AromaticContact ND1-CZ 3.51Å; H209-Y353 PolarHBondContact ND1-OH 3.05Å; P325-Y353 HydrophobicContact CB-CE1 4.36Å; P325-Y353 WeakPolarHBondContact CB-OH 3.25Å; L326-Y353 HydrophobicContact CD2-CD1 4.17Å; L326-Y353 HydrophobicContact CD2-CE1 4.12Å; L329-Y353 HydrophobicContact CD2-CD1 4.06Å; L329-Y353 HydrophobicContact CD2-CD2 4.41Å; L329-Y353 HydrophobicContact CD2-CG 3.8Å; V349-Y353 WeakPolarHBondContact O-CB 3.36Å; V349-Y353 PolarHBondContact O-N 3.37Å; V350-Y353 PolarHBondContact O-N 3.3Å; N351-Y353 VanDerWaalsContact C-N 3.33Å; N351-Y353 PolarHBondContact O-N 2.99Å; Y353-Q355 PolarHBondContact O-N 3.07Å; Y353-M356 PolarHBondContact O-N 3.31Å; Y353-L357 WeakPolarHBondContact O-CB 3.45Å; Y353-L357 PolarHBondContact O-N 3.38Å; Y353-F373 HydrophobicContact CE1-CD1 4.25Å; Y353-F373 HydrophobicContact CE1-CE1 4.02Å
354H98.5Very high97.7Very high18 Ų1858.6 Ų58.68%0.08330%0.295CS..Hα-helixtrans-60.5-45.3178.4174.3-96000112.2V350 N351 L357 C358 P368 F370 F373V350-H354 WeakPolarHBondContact O-CB 3.23Å; V350-H354 PolarHBondContact O-N 2.86Å; N351-H354 PolarHBondContact O-N 3.24Å; H354-L357 PolarHBondContact O-N 3Å; H354-C358 VanDerWaalsContact CE1-SG 3.58Å; H354-C358 PolarHBondContact O-N 2.92Å; H354-C358 PolarHBondContact O-SG 3.06Å; H354-P368 PolarHBondContact NE2-O 2.79Å; H354-F370 HydrophobicContact CB-CD2 4.23Å; H354-F370 PolarHBondContact CE1-N 3.24Å; H354-F373 AromaticContact CD2-CD1 3.94Å; H354-F373 AromaticContact CD2-CD2 3.44Å; H354-F373 VanDerWaalsContact CD2-CD2 3.44Å; H354-F373 WeakPolarHBondContact CD2-CD2 3.47Å; H354-F373 AromaticContact CD2-CE2 3.69Å; H354-F373 AromaticContact CD2-CG 3.57Å; H354-F373 AromaticContact NE2-CD2 3.86Å
355Q98.6Very high97.5Very high75 Ų7553.9 Ų53.935%0.3528%0.276SS..Hα-helixtrans-58.2-51174.9-72175.4-17.900111.7N351 R352 Y353 L357 C358 D359N351-Q355 WeakPolarHBondContact O-CG 3.19Å; N351-Q355 PolarHBondContact O-N 3.07Å; R352-Q355 PolarHBondContact O-N 3.27Å; Y353-Q355 PolarHBondContact O-N 3.07Å; Q355-L357 VanDerWaalsContact C-N 3.3Å; Q355-L357 PolarHBondContact O-N 2.98Å; Q355-C358 PolarHBondContact O-N 2.91Å; Q355-D359 WeakPolarHBondContact O-CB 3.3Å; Q355-D359 VanDerWaalsContact O-CG 3.23Å; Q355-D359 PolarHBondContact O-N 3.48Å
356M98.4Very high97.2Very high15 Ų1559.4 Ų59.47%0.07431%0.307CS..Hα-helixtrans-59.8-40.8178.8-71.7-177.2-59.900111.8A202 S203 A206 R352 Y353 D359 F360A202-M356 HydrophobicContact CB-CE 4.04Å; S203-M356 VanDerWaalsContact CA-CE 3.49Å; A206-M356 HydrophobicContact CB-CB 3.68Å; A206-M356 HydrophobicContact CB-CE 4.5Å; R352-M356 HydrophobicContact CG-CE 4.03Å; R352-M356 HydrophobicContact CG-SD 4.36Å; R352-M356 WeakPolarHBondContact O-CB 3.42Å; R352-M356 WeakPolarHBondContact O-CE 3.25Å; R352-M356 VanDerWaalsContact O-CG 3.28Å; R352-M356 WeakPolarHBondContact O-CG 3.35Å; R352-M356 PolarHBondContact O-N 3.13Å; Y353-M356 PolarHBondContact O-N 3.31Å; M356-D359 PolarHBondContact O-N 3.4Å; M356-F360 HydrophobicContact CB-CD2 4.4Å; M356-F360 HydrophobicContact CB-CE2 3.92Å; M356-F360 HydrophobicContact CB-CZ 4.35Å; M356-F360 WeakPolarHBondContact O-CB 3.36Å; M356-F360 WeakPolarHBondContact O-CD2 3.35Å; M356-F360 WeakPolarHBondContact O-CG 3.24Å; M356-F360 PolarHBondContact O-N 2.85Å
357L98.3Very high97.2Very high2 Ų260.3 Ų60.31%0.0131%0.312CS..Hα-helixtrans-62.4-45.6176.6-178.165.2000111.4A206 H209 C210 L213 Y353 H354 Q355 D359 F360 V361 L367 F373A206-L357 HydrophobicContact CB-CB 4.36Å; A206-L357 WeakPolarHBondContact O-CD1 3.34Å; H209-L357 HydrophobicContact CB-CD1 3.85Å; C210-L357 HydrophobicContact CB-CD1 4.17Å; L213-L357 HydrophobicContact CD1-CD1 4.3Å; Y353-L357 WeakPolarHBondContact O-CB 3.45Å; Y353-L357 PolarHBondContact O-N 3.38Å; H354-L357 PolarHBondContact O-N 3Å; Q355-L357 VanDerWaalsContact C-N 3.3Å; Q355-L357 PolarHBondContact O-N 2.98Å; L357-D359 PolarHBondContact O-N 3.33Å; L357-F360 PolarHBondContact O-N 3.34Å; L357-V361 HydrophobicContact CD1-CG2 4.08Å; L357-V361 HydrophobicContact CG-CG2 4.4Å; L357-V361 WeakPolarHBondContact O-CB 3.1Å; L357-V361 VanDerWaalsContact O-CG2 3.29Å; L357-V361 WeakPolarHBondContact O-CG2 3.31Å; L357-V361 PolarHBondContact O-N 3.43Å; L357-L367 HydrophobicContact CD2-CD1 3.97Å; L357-L367 HydrophobicContact CD2-CD2 4.21Å; L357-L367 HydrophobicContact CG-CD1 3.77Å; L357-F373 HydrophobicContact CD2-CE1 4.21Å; L357-F373 HydrophobicContact CD2-CZ 4.12Å
358C98.1Very high97Very high43 Ų4356.6 Ų56.629%0.29130%0.301SS..Hα-helixtrans-60.1-45.9176-64.90000111.6H354 Q355 F360 V361 K362 L367H354-C358 VanDerWaalsContact CE1-SG 3.58Å; H354-C358 PolarHBondContact O-N 2.92Å; H354-C358 PolarHBondContact O-SG 3.06Å; Q355-C358 PolarHBondContact O-N 2.91Å; C358-F360 VanDerWaalsContact C-N 3.33Å; C358-F360 PolarHBondContact O-N 3.24Å; C358-V361 PolarHBondContact O-N 3.48Å; C358-K362 PolarHBondContact O-N 3.33Å; C358-L367 HydrophobicContact CB-CD1 4.46Å
359D98Very high97Very high102 Ų10256.4 Ų56.455%0.54530%0.3SS..Hα-helixtrans-64.4-35179.9-69.5-17.4000112.6Q355 M356 L357 K362Q355-D359 WeakPolarHBondContact O-CB 3.3Å; Q355-D359 VanDerWaalsContact O-CG 3.23Å; Q355-D359 PolarHBondContact O-N 3.48Å; M356-D359 PolarHBondContact O-N 3.4Å; L357-D359 PolarHBondContact O-N 3.33Å; D359-K362 WeakPolarHBondContact O-CG 3.39Å
360F97.2Very high97Very high68 Ų6857.9 Ų57.930%0.29831%0.307SS..Hα-helixtrans-78.4-40.6177.6-62.5-31000112.4A206 K207 C210 M356 L357 C358 K362A206-F360 HydrophobicContact CB-CD2 3.94Å; A206-F360 HydrophobicContact CB-CE2 3.87Å; K207-F360 HydrophobicContact CB-CE2 4.48Å; K207-F360 HydrophobicContact CD-CE2 4.5Å; K207-F360 HydrophobicContact CG-CD2 3.87Å; K207-F360 HydrophobicContact CG-CE2 3.46Å; K207-F360 VanDerWaalsContact CG-CE2 3.46Å; K207-F360 HydrophobicContact CG-CZ 3.96Å; C210-F360 HydrophobicContact CB-CB 3.71Å; C210-F360 PolarHBondContact SG-O 3.36Å; C210-F360 VanDerWaalsContact SG-O 3.41Å; M356-F360 HydrophobicContact CB-CD2 4.4Å; M356-F360 HydrophobicContact CB-CE2 3.92Å; M356-F360 HydrophobicContact CB-CZ 4.35Å; M356-F360 WeakPolarHBondContact O-CB 3.36Å; M356-F360 WeakPolarHBondContact O-CD2 3.35Å; M356-F360 WeakPolarHBondContact O-CG 3.24Å; M356-F360 PolarHBondContact O-N 2.85Å; L357-F360 PolarHBondContact O-N 3.34Å; C358-F360 VanDerWaalsContact C-N 3.33Å; C358-F360 PolarHBondContact O-N 3.24Å; F360-K362 VanDerWaalsContact C-N 3.29Å; F360-K362 PolarHBondContact O-N 3.24Å
361V97Very high96.9Very high1 Ų162.8 Ų62.81%0.00633%0.33CS..Hα-helixtrans-66.1-32.1177.5167.10000111.6C210 L213 L357 C358 G363 Q364 V365 L367C210-V361 HydrophobicContact CB-CG2 4.19Å; L213-V361 HydrophobicContact CD1-CG2 4.18Å; L357-V361 HydrophobicContact CD1-CG2 4.08Å; L357-V361 HydrophobicContact CG-CG2 4.4Å; L357-V361 WeakPolarHBondContact O-CB 3.1Å; L357-V361 VanDerWaalsContact O-CG2 3.29Å; L357-V361 WeakPolarHBondContact O-CG2 3.31Å; L357-V361 PolarHBondContact O-N 3.43Å; C358-V361 PolarHBondContact O-N 3.48Å; V361-G363 VanDerWaalsContact C-N 3.27Å; V361-G363 PolarHBondContact O-N 3.24Å; V361-Q364 HydrophobicContact CG1-CB 4.29Å; V361-Q364 WeakPolarHBondContact O-CB 3.39Å; V361-Q364 WeakPolarHBondContact O-CG 3.11Å; V361-Q364 PolarHBondContact O-N 3.36Å; V361-Q364 PolarHBondContact O-NE2 2.87Å; V361-V365 HydrophobicContact CG1-CB 3.89Å; V361-V365 HydrophobicContact CG1-CG2 4.39Å; V361-L367 HydrophobicContact CB-CD1 4.32Å; V361-L367 HydrophobicContact CG2-CD1 4.2Å
362K94.2Very high96.8Very high171 Ų17161.8 Ų61.874%0.74333%0.326SS*.THydrogen-bonded Turntrans53.941.1176.6-60.5179.9-179.91760113.3C358 D359 F360 Q364C358-K362 PolarHBondContact O-N 3.33Å; D359-K362 WeakPolarHBondContact O-CG 3.39Å; F360-K362 VanDerWaalsContact C-N 3.29Å; F360-K362 PolarHBondContact O-N 3.24Å; K362-Q364 VanDerWaalsContact C-N 3.27Å; K362-Q364 PolarHBondContact O-N 2.89Å
363G93.2Very high96.6Very high67 Ų6756.3 Ų56.369%0.69131%0.305SS*.THydrogen-bonded Turntrans73.29.2177.100000115.6V361 V365V361-G363 VanDerWaalsContact C-N 3.27Å; V361-G363 PolarHBondContact O-N 3.24Å; G363-V365 PolarHBondContact O-N 3.46Å
364Q95.5Very high96.6Very high134 Ų13457.1 Ų57.163%0.62631%0.308SS*.SBendtrans-69.4-21.3174.4-68.5174.584.500113.1T214 V361 K362T214-Q364 HydrophobicContact CG2-CB 4.16Å; V361-Q364 HydrophobicContact CG1-CB 4.29Å; V361-Q364 WeakPolarHBondContact O-CB 3.39Å; V361-Q364 WeakPolarHBondContact O-CG 3.11Å; V361-Q364 PolarHBondContact O-N 3.36Å; V361-Q364 PolarHBondContact O-NE2 2.87Å; K362-Q364 VanDerWaalsContact C-N 3.27Å; K362-Q364 PolarHBondContact O-N 2.89Å
365V94.2Very high96.5Very high45 Ų4558.4 Ų58.427%0.27332%0.315SS..SBendtrans-137.6134.8177.4-179.80000108.4L213 V361 G363 L367L213-V365 HydrophobicContact CB-CG2 4.17Å; L213-V365 WeakPolarHBondContact O-CG2 3.06Å; V361-V365 HydrophobicContact CG1-CB 3.89Å; V361-V365 HydrophobicContact CG1-CG2 4.39Å; G363-V365 PolarHBondContact O-N 3.46Å; V365-L367 PolarHBondContact O-N 2.83Å
366D93.2Very high96.4Very high157 Ų15754.9 Ų54.984%0.8430%0.299SS*.  trans-69.9114.1173.6-69.1-40.1000109.8
367L96.5Very high96.3Very high37 Ų3754.1 Ų54.119%0.19430%0.295CS..PPolyproline II helixtrans-102.4137176.9-66.4174.8000110.3L213 P284 L357 C358 V361 V365L213-L367 HydrophobicContact CD1-CD2 3.99Å; P284-L367 HydrophobicContact CG-CD2 3.88Å; L357-L367 HydrophobicContact CD2-CD1 3.97Å; L357-L367 HydrophobicContact CD2-CD2 4.21Å; L357-L367 HydrophobicContact CG-CD1 3.77Å; C358-L367 HydrophobicContact CB-CD1 4.46Å; V361-L367 HydrophobicContact CB-CD1 4.32Å; V361-L367 HydrophobicContact CG2-CD1 4.2Å; V365-L367 PolarHBondContact O-N 2.83Å
368P95.8Very high96.2Very high21 Ų2154.6 Ų54.614%0.13630%0.297CS..PPolyproline II helixtrans-56.5160171.7-26.631.2000113.5I282 V283 H354 T372 F373I282-P368 HydrophobicContact CG2-CB 4.28Å; I282-P368 HydrophobicContact CG2-CG 3.81Å; I282-P368 WeakPolarHBondContact O-CG 3.18Å; V283-P368 HydrophobicContact CG2-CG 4.25Å; H354-P368 PolarHBondContact NE2-O 2.79Å; P368-T372 HydrophobicContact CB-CG2 3.72Å; P368-T372 HydrophobicContact CG-CG2 4.45Å; P368-F373 HydrophobicContact CB-CD2 4.06Å; P368-F373 HydrophobicContact CB-CE2 4.04Å; P368-F373 HydrophobicContact CG-CE2 4.14Å
369S97.1Very high96.1Very high65 Ų6552.8 Ų52.846%0.45529%0.285SS..PPolyproline II helixtrans-58.3159173.575.90000112.5E371 T372 F373S369-E371 PolarHBondContact O-N 2.94Å; S369-T372 WeakPolarHBondContact O-CB 3.5Å; S369-T372 PolarHBondContact O-N 2.93Å; S369-T372 VanDerWaalsContact O-N 3.09Å; S369-T372 PolarHBondContact OG-N 3.13Å; S369-T372 PolarHBondContact OG-OG1 3.4Å; S369-F373 PolarHBondContact O-N 2.96Å
370F98.1Very high96Very high31 Ų3148 Ų4814%0.13626%0.259CS..Hα-helixtrans-55.2-40.2173.3168.4-114.6000112.1R347 V350 N351 H354 T372 F373 W374R347-F370 HydrophobicContact CG-CE1 4.48Å; R347-F370 HydrophobicContact CG-CZ 3.88Å; V350-F370 HydrophobicContact CG1-CE2 4.14Å; N351-F370 HydrophobicContact CB-CD2 3.96Å; N351-F370 HydrophobicContact CB-CE1 4.26Å; N351-F370 HydrophobicContact CB-CE2 3.49Å; N351-F370 VanDerWaalsContact CB-CE2 3.49Å; N351-F370 HydrophobicContact CB-CZ 3.65Å; H354-F370 HydrophobicContact CB-CD2 4.23Å; H354-F370 PolarHBondContact CE1-N 3.24Å; F370-T372 VanDerWaalsContact C-N 3.28Å; F370-T372 PolarHBondContact O-N 2.93Å; F370-F373 CarbonylContact O-C 3.47Å; F370-F373 WeakPolarHBondContact O-CB 3.46Å; F370-F373 PolarHBondContact O-N 2.75Å; F370-F373 VanDerWaalsContact O-N 3.16Å; F370-W374 HydrophobicContact CE2-CB 4.4Å; F370-W374 HydrophobicContact CZ-CB 4.31Å; F370-W374 HydrophobicContact CZ-CE3 4.31Å; F370-W374 WeakPolarHBondContact O-CB 3.36Å; F370-W374 PolarHBondContact O-N 2.82Å
371E97.6Very high96Very high102 Ų10244.7 Ų44.748%0.47725%0.245SC..Hα-helixtrans-64.3-34.6179.6-61.1-55154.400112.1R347 S369 W374 L375R347-E371 IonicContact CZ-OE2 2.73Å; R347-E371 IonicContact NH1-OE2 2.85Å; R347-E371 VanDerWaalsContact NH2-CD 3.27Å; R347-E371 IonicContact NH2-OE1 2.67Å; R347-E371 PolarHBondContact NH2-OE1 3.43Å; R347-E371 IonicContact NH2-OE2 2.76Å; R347-E371 PolarHBondContact NH2-OE2 3Å; S369-E371 PolarHBondContact O-N 2.94Å; E371-W374 PolarHBondContact O-N 2.89Å; E371-L375 WeakPolarHBondContact O-CG 3.1Å; E371-L375 PolarHBondContact O-N 3.31Å
372T95.9Very high96Very high28 Ų2844.8 Ų44.817%0.17225%0.246CC..Hα-helixtrans-67.5-42.7172.8-500000111.9I282 P368 S369 F370 W374 L375 A376 F435I282-T372 HydrophobicContact CG2-CG2 3.63Å; P368-T372 HydrophobicContact CB-CG2 3.72Å; P368-T372 HydrophobicContact CG-CG2 4.45Å; S369-T372 WeakPolarHBondContact O-CB 3.5Å; S369-T372 PolarHBondContact O-N 2.93Å; S369-T372 VanDerWaalsContact O-N 3.09Å; S369-T372 PolarHBondContact OG-N 3.13Å; S369-T372 PolarHBondContact OG-OG1 3.4Å; F370-T372 VanDerWaalsContact C-N 3.28Å; F370-T372 PolarHBondContact O-N 2.93Å; T372-W374 VanDerWaalsContact C-N 3.29Å; T372-W374 PolarHBondContact O-N 3.21Å; T372-L375 PolarHBondContact O-N 3.49Å; T372-A376 PolarHBondContact O-N 3.35Å; T372-F435 HydrophobicContact CG2-CZ 4.28Å
373F95.4Very high96Very high0 Ų037.5 Ų37.50%021%0.213CC..Hα-helixtrans-61-40.7172.6-93.3-111.6000111.4V283 P325 L326 Y353 H354 L357 P368 S369 F370 A376 F377V283-F373 HydrophobicContact CG1-CE1 4.18Å; V283-F373 HydrophobicContact CG1-CE2 4.26Å; V283-F373 HydrophobicContact CG1-CZ 3.91Å; P325-F373 HydrophobicContact CG-CE1 4.09Å; L326-F373 HydrophobicContact CD1-CB 4.35Å; L326-F373 HydrophobicContact CD1-CD1 3.95Å; L326-F373 HydrophobicContact CD1-CG 4.44Å; L326-F373 WeakPolarHBondContact CD1-O 3.09Å; L326-F373 HydrophobicContact CD2-CD1 4.17Å; L326-F373 HydrophobicContact CG-CD1 4.19Å; Y353-F373 HydrophobicContact CE1-CD1 4.25Å; Y353-F373 HydrophobicContact CE1-CE1 4.02Å; H354-F373 AromaticContact CD2-CD1 3.94Å; H354-F373 AromaticContact CD2-CD2 3.44Å; H354-F373 VanDerWaalsContact CD2-CD2 3.44Å; H354-F373 WeakPolarHBondContact CD2-CD2 3.47Å; H354-F373 AromaticContact CD2-CE2 3.69Å; H354-F373 AromaticContact CD2-CG 3.57Å; H354-F373 AromaticContact NE2-CD2 3.86Å; L357-F373 HydrophobicContact CD2-CE1 4.21Å; L357-F373 HydrophobicContact CD2-CZ 4.12Å; P368-F373 HydrophobicContact CB-CD2 4.06Å; P368-F373 HydrophobicContact CB-CE2 4.04Å; P368-F373 HydrophobicContact CG-CE2 4.14Å; S369-F373 PolarHBondContact O-N 2.96Å; F370-F373 CarbonylContact O-C 3.47Å; F370-F373 WeakPolarHBondContact O-CB 3.46Å; F370-F373 PolarHBondContact O-N 2.75Å; F370-F373 VanDerWaalsContact O-N 3.16Å; F373-A376 PolarHBondContact O-N 3.48Å; F373-F377 PolarHBondContact O-N 2.94Å
374W97.4Very high96.1Very high18 Ų1835.1 Ų35.17%0.06818%0.184CC..Hα-helixtrans-62.9-44.8177.8-176-101.3000111.7Q346 R347 V350 F370 E371 T372 A376 F377 E378 Y428Q346-W374 HydrophobicContact CG-CH2 4.04Å; R347-W374 VanDerWaalsContact CA-CZ3 3.49Å; R347-W374 HydrophobicContact CB-CE3 4.42Å; R347-W374 HydrophobicContact CB-CH2 3.76Å; R347-W374 HydrophobicContact CB-CZ2 4.28Å; R347-W374 HydrophobicContact CB-CZ3 3.84Å; R347-W374 HydrophobicContact CG-CD2 4.26Å; R347-W374 HydrophobicContact CG-CE3 4.01Å; R347-W374 HydrophobicContact CG-CH2 4.1Å; R347-W374 HydrophobicContact CG-CZ2 4.31Å; R347-W374 HydrophobicContact CG-CZ3 3.95Å; V350-W374 HydrophobicContact CB-CE3 4.08Å; V350-W374 HydrophobicContact CB-CZ3 4Å; V350-W374 HydrophobicContact CG1-CE3 4.03Å; V350-W374 HydrophobicContact CG1-CZ3 4.39Å; V350-W374 HydrophobicContact CG2-CE3 4.41Å; V350-W374 HydrophobicContact CG2-CZ3 3.96Å; F370-W374 HydrophobicContact CE2-CB 4.4Å; F370-W374 HydrophobicContact CZ-CB 4.31Å; F370-W374 HydrophobicContact CZ-CE3 4.31Å; F370-W374 WeakPolarHBondContact O-CB 3.36Å; F370-W374 PolarHBondContact O-N 2.82Å; E371-W374 PolarHBondContact O-N 2.89Å; T372-W374 VanDerWaalsContact C-N 3.29Å; T372-W374 PolarHBondContact O-N 3.21Å; W374-A376 VanDerWaalsContact C-N 3.29Å; W374-A376 PolarHBondContact O-N 3.03Å; W374-F377 HydrophobicContact CE3-CB 4.49Å; W374-F377 HydrophobicContact CE3-CD1 4.17Å; W374-F377 AromaticContact CH2-CD1 3.9Å; W374-F377 HydrophobicContact CH2-CD1 3.9Å; W374-F377 AromaticContact CH2-CE1 4Å; W374-F377 HydrophobicContact CH2-CE1 4Å; W374-F377 AromaticContact CZ3-CD1 3.68Å; W374-F377 HydrophobicContact CZ3-CD1 3.68Å; W374-F377 HydrophobicContact CZ3-CE1 4Å; W374-F377 HydrophobicContact CZ3-CG 4.31Å; W374-F377 WeakPolarHBondContact O-CB 3.21Å; W374-F377 PolarHBondContact O-N 3.42Å; W374-F377 VanDerWaalsContact O-N 3.12Å; W374-E378 HydrophobicContact CZ2-CG 4.3Å; W374-E378 PolarHBondContact NE1-OE1 2.95Å; W374-E378 WeakPolarHBondContact O-CG 3.34Å; W374-E378 PolarHBondContact O-N 3.25Å; W374-Y428 HydrophobicContact CZ2-CE1 4.39Å
375L96.4Very high96.3Very high45 Ų4528.8 Ų28.824%0.23615%0.154CC..Hα-helixtrans-61-37.9174.2-69.8172.8000112.2E371 T372 F377 E378 A379 N433 L434 F435E371-L375 WeakPolarHBondContact O-CG 3.1Å; E371-L375 PolarHBondContact O-N 3.31Å; T372-L375 PolarHBondContact O-N 3.49Å; L375-F377 VanDerWaalsContact C-N 3.34Å; L375-E378 PolarHBondContact O-N 2.91Å; L375-A379 WeakPolarHBondContact O-CB 3.44Å; L375-A379 PolarHBondContact O-N 3.17Å; L375-N433 PolarHBondContact O-ND2 3.03Å; L375-L434 HydrophobicContact CB-CD2 4.5Å; L375-L434 HydrophobicContact CD1-CD2 3.57Å; L375-L434 HydrophobicContact CD1-CG 4.29Å; L375-F435 HydrophobicContact CB-CD2 4.3Å; L375-F435 HydrophobicContact CB-CE2 4.05Å
376A96Very high96.4Very high0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-66.1-38.5174.800000111.6I279 V283 L326 T372 F373 W374 A379 I380 F435I279-A376 HydrophobicContact CD1-CB 4.45Å; I279-A376 HydrophobicContact CG1-CB 4.47Å; I279-A376 HydrophobicContact CG2-CB 4.18Å; V283-A376 HydrophobicContact CG2-CB 4.19Å; L326-A376 HydrophobicContact CD1-CB 3.7Å; T372-A376 PolarHBondContact O-N 3.35Å; F373-A376 PolarHBondContact O-N 3.48Å; W374-A376 VanDerWaalsContact C-N 3.29Å; W374-A376 PolarHBondContact O-N 3.03Å; A376-A379 PolarHBondContact O-N 3.46Å; A376-I380 WeakPolarHBondContact O-CB 3.49Å; A376-I380 WeakPolarHBondContact O-CG1 3.48Å; A376-I380 PolarHBondContact O-N 3.33Å; A376-F435 HydrophobicContact CB-CD2 4.23Å; A376-F435 HydrophobicContact CB-CE2 3.62Å; A376-F435 HydrophobicContact CB-CZ 4.06Å
377F97.1Very high96.6Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-62.2-48.6174.2179.8-91.7000111.1L326 A330 L333 V350 F373 W374 L375 A379 I380 F381L326-F377 HydrophobicContact CD1-CB 4.11Å; L326-F377 HydrophobicContact CD2-CB 4.46Å; L326-F377 HydrophobicContact CD2-CD2 4.35Å; A330-F377 HydrophobicContact CB-CD2 4.12Å; A330-F377 HydrophobicContact CB-CE2 3.69Å; A330-F377 HydrophobicContact CB-CZ 4.36Å; L333-F377 HydrophobicContact CD1-CE2 3.81Å; L333-F377 HydrophobicContact CD1-CZ 3.72Å; V350-F377 HydrophobicContact CG1-CB 4.49Å; V350-F377 HydrophobicContact CG2-CD1 4.42Å; V350-F377 HydrophobicContact CG2-CD2 3.63Å; V350-F377 HydrophobicContact CG2-CE1 4.47Å; V350-F377 HydrophobicContact CG2-CE2 3.66Å; V350-F377 HydrophobicContact CG2-CG 4.02Å; V350-F377 HydrophobicContact CG2-CZ 4.11Å; F373-F377 PolarHBondContact O-N 2.94Å; W374-F377 HydrophobicContact CE3-CB 4.49Å; W374-F377 HydrophobicContact CE3-CD1 4.17Å; W374-F377 AromaticContact CH2-CD1 3.9Å; W374-F377 HydrophobicContact CH2-CD1 3.9Å; W374-F377 AromaticContact CH2-CE1 4Å; W374-F377 HydrophobicContact CH2-CE1 4Å; W374-F377 AromaticContact CZ3-CD1 3.68Å; W374-F377 HydrophobicContact CZ3-CD1 3.68Å; W374-F377 HydrophobicContact CZ3-CE1 4Å; W374-F377 HydrophobicContact CZ3-CG 4.31Å; W374-F377 WeakPolarHBondContact O-CB 3.21Å; W374-F377 PolarHBondContact O-N 3.42Å; W374-F377 VanDerWaalsContact O-N 3.12Å; L375-F377 VanDerWaalsContact C-N 3.34Å; F377-A379 PolarHBondContact O-N 2.98Å; F377-I380 PolarHBondContact O-N 3.39Å; F377-I380 VanDerWaalsContact O-N 3.17Å; F377-F381 AromaticContact CE1-CD2 3.69Å; F377-F381 HydrophobicContact CE1-CD2 3.69Å; F377-F381 HydrophobicContact CE1-CE2 4.4Å; F377-F381 AromaticContact CZ-CD2 3.82Å; F377-F381 HydrophobicContact CZ-CD2 3.82Å; F377-F381 HydrophobicContact CZ-CE2 4.42Å; F377-F381 WeakPolarHBondContact O-CB 3.44Å; F377-F381 PolarHBondContact O-N 3.18Å
378E96.5Very high96.6Very high12 Ų1218 Ų186%0.05610%0.095CC..Hα-helixtrans-58.6-35.9176.7-67.3-169146.200111.8W374 L375 P382 Y428 K431W374-E378 HydrophobicContact CZ2-CG 4.3Å; W374-E378 PolarHBondContact NE1-OE1 2.95Å; W374-E378 WeakPolarHBondContact O-CG 3.34Å; W374-E378 PolarHBondContact O-N 3.25Å; L375-E378 PolarHBondContact O-N 2.91Å; E378-P382 WeakPolarHBondContact O-CD 3.48Å; E378-Y428 HydrophobicContact CB-CD1 3.78Å; E378-Y428 HydrophobicContact CB-CE1 4.28Å; E378-Y428 HydrophobicContact CB-CG 4.04Å; E378-Y428 HydrophobicContact CG-CD1 3.44Å; E378-Y428 VanDerWaalsContact CG-CD1 3.44Å; E378-Y428 HydrophobicContact CG-CE1 3.48Å; E378-Y428 VanDerWaalsContact CG-CE1 3.48Å; E378-Y428 HydrophobicContact CG-CG 4.15Å; E378-Y428 WeakPolarHBondContact OE1-CD1 2.87Å; E378-Y428 WeakPolarHBondContact OE1-CE1 3.17Å; E378-K431 IonicContact OE1-NZ 3.25Å; E378-K431 PolarHBondContact OE1-NZ 3.48Å
379A95.4Very high96.7Very high5 Ų517 Ų174%0.0419%0.089CC..Hα-helixtrans-74.5-32.6177.800000113.4L275 I279 L375 A376 F377 F435L275-A379 HydrophobicContact CD1-CB 3.99Å; L275-A379 HydrophobicContact CD2-CB 4.41Å; L275-A379 WeakPolarHBondContact CD2-O 3.48Å; I279-A379 HydrophobicContact CD1-CB 4.49Å; L375-A379 WeakPolarHBondContact O-CB 3.44Å; L375-A379 PolarHBondContact O-N 3.17Å; A376-A379 PolarHBondContact O-N 3.46Å; F377-A379 PolarHBondContact O-N 2.98Å; A379-F435 HydrophobicContact CB-CB 4.06Å; A379-F435 HydrophobicContact CB-CD2 4.44Å
380I95.6Very high96.6Very high0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-78.3-34.5178.3-73.2166.5000111.9W272 I279 A324 L326 E327 A330 A376 F377 R383 R384W272-I380 HydrophobicContact CH2-CB 4.44Å; W272-I380 HydrophobicContact CH2-CG1 4.06Å; W272-I380 HydrophobicContact CH2-CG2 4.12Å; W272-I380 HydrophobicContact CZ3-CG1 4.35Å; I279-I380 HydrophobicContact CD1-CD1 3.88Å; I279-I380 HydrophobicContact CD1-CG1 3.71Å; A324-I380 HydrophobicContact CB-CD1 4.03Å; L326-I380 HydrophobicContact CB-CD1 3.95Å; E327-I380 HydrophobicContact CG-CD1 4.22Å; E327-I380 HydrophobicContact CG-CG2 4.34Å; A330-I380 HydrophobicContact CB-CG2 3.95Å; A376-I380 WeakPolarHBondContact O-CB 3.49Å; A376-I380 WeakPolarHBondContact O-CG1 3.48Å; A376-I380 PolarHBondContact O-N 3.33Å; F377-I380 PolarHBondContact O-N 3.39Å; F377-I380 VanDerWaalsContact O-N 3.17Å; I380-R383 PolarHBondContact O-N 3.3Å; I380-R384 HydrophobicContact CG2-CG 4.24Å
381F97.2Very high96.4Very high0 Ų014.6 Ų14.60%07%0.07CC..Hα-helixtrans-52.5-48.2-172-174.2-73.8000113.8I334 F377 R383 R384 A385 E424 A425 Y428I334-F381 HydrophobicContact CD1-CD1 4.13Å; I334-F381 HydrophobicContact CD1-CD2 3.69Å; I334-F381 HydrophobicContact CD1-CE1 4.13Å; I334-F381 HydrophobicContact CD1-CE2 3.71Å; I334-F381 HydrophobicContact CD1-CG 3.91Å; I334-F381 HydrophobicContact CD1-CZ 3.92Å; I334-F381 HydrophobicContact CG1-CD2 4.04Å; I334-F381 HydrophobicContact CG1-CE1 4.34Å; I334-F381 HydrophobicContact CG1-CE2 3.54Å; I334-F381 HydrophobicContact CG1-CZ 3.7Å; F377-F381 AromaticContact CE1-CD2 3.69Å; F377-F381 HydrophobicContact CE1-CD2 3.69Å; F377-F381 HydrophobicContact CE1-CE2 4.4Å; F377-F381 AromaticContact CZ-CD2 3.82Å; F377-F381 HydrophobicContact CZ-CD2 3.82Å; F377-F381 HydrophobicContact CZ-CE2 4.42Å; F377-F381 WeakPolarHBondContact O-CB 3.44Å; F377-F381 PolarHBondContact O-N 3.18Å; F381-R383 VanDerWaalsContact C-N 3.31Å; F381-R383 PolarHBondContact O-N 3.36Å; F381-R384 PolarHBondContact O-N 3.06Å; F381-A385 HydrophobicContact CD1-CB 4.3Å; F381-A385 HydrophobicContact CE1-CB 4.06Å; F381-A385 PolarHBondContact O-N 3.48Å; F381-E424 HydrophobicContact CE1-CB 3.65Å; F381-E424 HydrophobicContact CZ-CB 3.79Å; F381-E424 WeakPolarHBondContact CZ-OE2 2.99Å; F381-A425 HydrophobicContact CD1-CB 4.2Å; F381-A425 HydrophobicContact CE1-CB 4.34Å; F381-Y428 HydrophobicContact CB-CD2 3.87Å; F381-Y428 HydrophobicContact CB-CE2 4.04Å; F381-Y428 AromaticContact CD1-CD2 3.62Å; F381-Y428 HydrophobicContact CD1-CD2 3.62Å; F381-Y428 AromaticContact CD1-CE2 3.73Å; F381-Y428 HydrophobicContact CD1-CE2 3.73Å; F381-Y428 HydrophobicContact CD2-CD2 4.38Å; F381-Y428 AromaticContact CD2-CE2 3.78Å; F381-Y428 HydrophobicContact CD2-CE2 3.78Å; F381-Y428 HydrophobicContact CE1-CD2 4.26Å; F381-Y428 HydrophobicContact CE1-CE2 4.1Å; F381-Y428 HydrophobicContact CE2-CE2 4.13Å; F381-Y428 AromaticContact CG-CD2 3.71Å; F381-Y428 HydrophobicContact CG-CD2 3.71Å; F381-Y428 AromaticContact CG-CE2 3.58Å; F381-Y428 HydrophobicContact CG-CE2 3.58Å; F381-Y428 HydrophobicContact CZ-CE2 4.29Å
382P96.7Very high96.3Very high2 Ų29.8 Ų9.81%0.0135%0.047CC..Hα-helixtrans-55.1-43.3-178-28.335.3000113.7E378 R384 A385 F386 A425 L429E378-P382 WeakPolarHBondContact O-CD 3.48Å; P382-R384 VanDerWaalsContact C-N 3.32Å; P382-R384 PolarHBondContact O-N 3.04Å; P382-A385 PolarHBondContact O-N 3.17Å; P382-F386 HydrophobicContact CB-CD2 4.47Å; P382-F386 HydrophobicContact CB-CE2 4.04Å; P382-F386 HydrophobicContact CB-CZ 4.31Å; P382-F386 VanDerWaalsContact O-CB 3.31Å; P382-F386 WeakPolarHBondContact O-CB 3.46Å; P382-F386 WeakPolarHBondContact O-CD2 3.35Å; P382-F386 WeakPolarHBondContact O-CG 3.47Å; P382-F386 PolarHBondContact O-N 2.9Å; P382-A425 HydrophobicContact CB-CB 3.93Å; P382-A425 HydrophobicContact CG-CB 4.21Å; P382-L429 HydrophobicContact CB-CD1 4.17Å; P382-L429 HydrophobicContact CB-CD2 4.02Å; P382-L429 HydrophobicContact CB-CG 4.08Å; P382-L429 HydrophobicContact CG-CD1 4.4Å; P382-L429 HydrophobicContact CG-CD2 3.64Å; P382-L429 HydrophobicContact CG-CG 3.76Å
383R95Very high96.1Very high18 Ų188.6 Ų8.67%0.0684%0.04CC..Hα-helixtrans-61.8-41.8178.9179.5174.3-175.6-16.25.8111.8L267 W272 I380 F381 L387L267-R383 HydrophobicContact CD2-CG 3.94Å; W272-R383 HydrophobicContact CD2-CG 4.48Å; W272-R383 VanDerWaalsContact CE2-CD 3.4Å; W272-R383 HydrophobicContact CE3-CB 4.2Å; W272-R383 HydrophobicContact CE3-CG 4.23Å; W272-R383 HydrophobicContact CZ3-CB 4.01Å; W272-R383 VanDerWaalsContact CZ3-CD 3.45Å; W272-R383 HydrophobicContact CZ3-CG 4.33Å; I380-R383 PolarHBondContact O-N 3.3Å; F381-R383 VanDerWaalsContact C-N 3.31Å; F381-R383 PolarHBondContact O-N 3.36Å; R383-L387 WeakPolarHBondContact O-CG 3.27Å; R383-L387 PolarHBondContact O-N 3.39Å
384R95.9Very high95.8Very high18 Ų188.7 Ų8.77%0.0684%0.041CC..Hα-helixtrans-71.4-33.8-179.1-66.2-60.5-179.2167.6-5.1112.1E327 A330 H331 I334 W335 I380 F381 P382 L388E327-R384 IonicContact OE2-CZ 2.8Å; E327-R384 IonicContact OE2-NH2 2.94Å; E327-R384 PolarHBondContact OE2-NH2 3.41Å; A330-R384 HydrophobicContact CB-CG 4.24Å; H331-R384 HydrophobicContact CB-CG 4.4Å; I334-R384 HydrophobicContact CD1-CB 3.45Å; I334-R384 VanDerWaalsContact CD1-CB 3.45Å; W335-R384 PolarHBondContact NE1-O 2.86Å; W335-R384 VanDerWaalsContact NE1-O 3.12Å; I380-R384 HydrophobicContact CG2-CG 4.24Å; F381-R384 PolarHBondContact O-N 3.06Å; P382-R384 VanDerWaalsContact C-N 3.32Å; P382-R384 PolarHBondContact O-N 3.04Å; R384-L388 PolarHBondContact O-N 3.28Å
385A98.4Very high95.5Very high0 Ų08.2 Ų8.20%04%0.039CC..Hα-helixtrans-67.7-47.3172.800000111.9I334 F381 P382 L387 L388 I389 A421 A425I334-A385 HydrophobicContact CD1-CB 4.38Å; F381-A385 HydrophobicContact CD1-CB 4.3Å; F381-A385 HydrophobicContact CE1-CB 4.06Å; F381-A385 PolarHBondContact O-N 3.48Å; P382-A385 PolarHBondContact O-N 3.17Å; A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 3.07Å; A385-L388 WeakPolarHBondContact O-CB 3.36Å; A385-L388 PolarHBondContact O-N 2.99Å; A385-L388 VanDerWaalsContact O-N 3.08Å; A385-I389 PolarHBondContact O-N 3.4Å; A385-A421 HydrophobicContact CB-CB 3.84Å; A385-A421 WeakPolarHBondContact CB-O 3.44Å; A385-A425 HydrophobicContact CB-CB 3.95Å
386F98Very high95.2Very high0 Ų07 Ų70%03%0.034CC..Hα-helixtrans-68.1-31.8-179.7-65.2-12.8000112.8V262 V263 Y266 L267 P382 L388 I389 C390 Y422 A425 L429V262-F386 HydrophobicContact CG1-CE2 4.29Å; V262-F386 HydrophobicContact CG1-CZ 4.13Å; V263-F386 HydrophobicContact CG1-CB 4.13Å; V263-F386 HydrophobicContact CG1-CG 4.43Å; V263-F386 HydrophobicContact CG2-CD1 4.04Å; V263-F386 HydrophobicContact CG2-CE1 4.37Å; V263-F386 HydrophobicContact CG2-CG 4.16Å; Y266-F386 HydrophobicContact CD2-CE2 4.04Å; Y266-F386 HydrophobicContact CG-CE2 4.09Å; L267-F386 HydrophobicContact CD1-CB 4.04Å; L267-F386 HydrophobicContact CD2-CB 3.8Å; L267-F386 HydrophobicContact CG-CB 3.89Å; P382-F386 HydrophobicContact CB-CD2 4.47Å; P382-F386 HydrophobicContact CB-CE2 4.04Å; P382-F386 HydrophobicContact CB-CZ 4.31Å; P382-F386 VanDerWaalsContact O-CB 3.31Å; P382-F386 WeakPolarHBondContact O-CB 3.46Å; P382-F386 WeakPolarHBondContact O-CD2 3.35Å; P382-F386 WeakPolarHBondContact O-CG 3.47Å; P382-F386 PolarHBondContact O-N 2.9Å; F386-L388 VanDerWaalsContact C-N 3.33Å; F386-L388 PolarHBondContact O-N 3.33Å; F386-I389 WeakPolarHBondContact O-CB 3.48Å; F386-I389 PolarHBondContact O-N 3.33Å; F386-C390 PolarHBondContact O-N 3.24Å; F386-Y422 AromaticContact CD1-CD2 3.84Å; F386-Y422 HydrophobicContact CD1-CD2 3.84Å; F386-Y422 HydrophobicContact CD1-CE2 4.36Å; F386-Y422 AromaticContact CE1-CD2 3.44Å; F386-Y422 HydrophobicContact CE1-CD2 3.44Å; F386-Y422 VanDerWaalsContact CE1-CD2 3.44Å; F386-Y422 AromaticContact CE1-CE2 3.75Å; F386-Y422 HydrophobicContact CE1-CE2 3.75Å; F386-Y422 HydrophobicContact CE1-CG 4.45Å; F386-Y422 HydrophobicContact CZ-CD2 4.48Å; F386-Y422 HydrophobicContact CZ-CE2 4.41Å; F386-A425 HydrophobicContact CD1-CB 4.38Å; F386-A425 HydrophobicContact CE1-CB 3.63Å; F386-A425 HydrophobicContact CZ-CB 3.92Å; F386-L429 HydrophobicContact CE2-CD1 4.05Å; F386-L429 HydrophobicContact CZ-CD1 3.92Å
387L95.9Very high94.8Very high14 Ų148.3 Ų8.37%0.0735%0.047CC..Hα-helixtrans-60.7-41.8168.7-79.1-178.1000112.1F236 L240 L267 W335 R383 A385 I389 C390 F391F236-L387 HydrophobicContact CE1-CD2 4.23Å; F236-L387 HydrophobicContact CZ-CD2 3.67Å; L240-L387 HydrophobicContact CD2-CD2 3.69Å; L267-L387 HydrophobicContact CD2-CD2 3.9Å; L267-L387 HydrophobicContact CD2-CG 3.89Å; W335-L387 HydrophobicContact CZ2-CB 4.1Å; R383-L387 WeakPolarHBondContact O-CG 3.27Å; R383-L387 PolarHBondContact O-N 3.39Å; A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 3.07Å; L387-I389 VanDerWaalsContact C-N 3.27Å; L387-I389 PolarHBondContact O-N 3.39Å; L387-C390 PolarHBondContact O-N 2.96Å; L387-F391 HydrophobicContact CD2-CD2 4.32Å; L387-F391 HydrophobicContact CD2-CE2 3.97Å; L387-F391 WeakPolarHBondContact O-CB 3.37Å; L387-F391 VanDerWaalsContact O-CD2 3.3Å; L387-F391 WeakPolarHBondContact O-CD2 3.33Å; L387-F391 PolarHBondContact O-N 3.4Å
388L97Very high94.3Very high0 Ų08.5 Ų8.50%05%0.048CC..Hα-helixtrans-60.2-41.7178.2178.757.7000110.9I334 W335 R384 A385 F386 F392 L395 R417 A418I334-L388 HydrophobicContact CG2-CB 4.46Å; I334-L388 HydrophobicContact CG2-CD2 4.05Å; W335-L388 HydrophobicContact CD2-CB 4.44Å; W335-L388 HydrophobicContact CD2-CD1 3.92Å; W335-L388 HydrophobicContact CE3-CD1 4.08Å; W335-L388 HydrophobicContact CG-CD1 4.45Å; W335-L388 HydrophobicContact CH2-CD1 4.36Å; W335-L388 VanDerWaalsContact CZ2-CA 3.44Å; W335-L388 HydrophobicContact CZ2-CB 3.92Å; W335-L388 HydrophobicContact CZ2-CD1 4.2Å; W335-L388 HydrophobicContact CZ3-CD1 4.3Å; R384-L388 PolarHBondContact O-N 3.28Å; A385-L388 WeakPolarHBondContact O-CB 3.36Å; A385-L388 PolarHBondContact O-N 2.99Å; A385-L388 VanDerWaalsContact O-N 3.08Å; F386-L388 VanDerWaalsContact C-N 3.33Å; F386-L388 PolarHBondContact O-N 3.33Å; L388-F392 WeakPolarHBondContact O-CB 3.31Å; L388-F392 PolarHBondContact O-N 2.92Å; L388-L395 HydrophobicContact CD1-CD1 3.87Å; L388-R417 HydrophobicContact CD2-CG 4.4Å; L388-A418 HydrophobicContact CD2-CB 4.09Å; L388-A418 HydrophobicContact CG-CB 4.12Å
389I97.8Very high93.8Very high0 Ų08.3 Ų8.30%05%0.048CC..Hα-helixtrans-58.1-56.1174.9-64.2-70.3000110.5L244 L247 F255 V258 A385 F386 L387 F391 F392 A418L244-I389 HydrophobicContact CD1-CG2 3.67Å; L247-I389 HydrophobicContact CD2-CG2 3.7Å; L247-I389 WeakPolarHBondContact CD2-O 3.5Å; F255-I389 HydrophobicContact CD1-CD1 4.22Å; F255-I389 HydrophobicContact CE1-CD1 3.8Å; V258-I389 HydrophobicContact CG1-CG2 4.16Å; A385-I389 PolarHBondContact O-N 3.4Å; F386-I389 WeakPolarHBondContact O-CB 3.48Å; F386-I389 PolarHBondContact O-N 3.33Å; L387-I389 VanDerWaalsContact C-N 3.27Å; L387-I389 PolarHBondContact O-N 3.39Å; I389-F391 VanDerWaalsContact C-N 3.34Å; I389-F391 PolarHBondContact O-N 3.01Å; I389-F392 VanDerWaalsContact O-CB 3.27Å; I389-F392 WeakPolarHBondContact O-CB 3.46Å; I389-F392 PolarHBondContact O-N 2.79Å; I389-A418 HydrophobicContact CD1-CB 3.95Å
390C95.9Very high93.6Very high0 Ų08.1 Ų8.10%05%0.047CC..Hα-helixtrans-65.5-33.8-176.8-69.10000113.6L240 G243 L267 F386 L387 F392L240-C390 HydrophobicContact CB-CB 4.17Å; L240-C390 HydrophobicContact CD2-CB 3.44Å; L240-C390 VanDerWaalsContact CD2-CB 3.44Å; L240-C390 HydrophobicContact CG-CB 4.41Å; L240-C390 PolarHBondContact O-SG 2.88Å; L240-C390 VanDerWaalsContact O-SG 3.33Å; G243-C390 WeakPolarHBondContact CA-O 3.47Å; L267-C390 HydrophobicContact CD1-CB 4.47Å; L267-C390 VanDerWaalsContact CD1-SG 3.52Å; F386-C390 PolarHBondContact O-N 3.24Å; L387-C390 PolarHBondContact O-N 2.96Å; C390-F392 VanDerWaalsContact C-N 3.33Å
391F93.2Very high93.3Very high45 Ų4510.5 Ų10.520%0.1976%0.057CC..Hα-helixtrans-81.3-13.2178-85-107.2000113.2L86 F236 F239 L240 W335 L387 I389 V394 L395L86-F391 HydrophobicContact CD2-CD1 4.36Å; L86-F391 HydrophobicContact CD2-CE1 3.96Å; F236-F391 HydrophobicContact CE2-CE2 4.01Å; F236-F391 HydrophobicContact CE2-CZ 4.01Å; F236-F391 HydrophobicContact CZ-CE2 4.3Å; F239-F391 HydrophobicContact CD1-CE2 4.14Å; F239-F391 HydrophobicContact CD1-CZ 4.21Å; F239-F391 HydrophobicContact CE1-CD1 4.09Å; F239-F391 AromaticContact CE1-CD2 3.68Å; F239-F391 HydrophobicContact CE1-CD2 3.68Å; F239-F391 AromaticContact CE1-CE1 3.81Å; F239-F391 HydrophobicContact CE1-CE1 3.81Å; F239-F391 AromaticContact CE1-CE2 3.37Å; F239-F391 HydrophobicContact CE1-CE2 3.37Å; F239-F391 HydrophobicContact CE1-CG 4.04Å; F239-F391 AromaticContact CE1-CZ 3.44Å; F239-F391 HydrophobicContact CE1-CZ 3.44Å; F239-F391 VanDerWaalsContact CE1-CZ 3.44Å; F239-F391 HydrophobicContact CZ-CD1 4.02Å; F239-F391 HydrophobicContact CZ-CD2 4.33Å; F239-F391 AromaticContact CZ-CE1 3.92Å; F239-F391 HydrophobicContact CZ-CE1 3.92Å; F239-F391 HydrophobicContact CZ-CE2 4.25Å; F239-F391 HydrophobicContact CZ-CG 4.23Å; F239-F391 HydrophobicContact CZ-CZ 4.04Å; L240-F391 HydrophobicContact CD2-CD2 4.15Å; L240-F391 HydrophobicContact CD2-CE2 3.85Å; W335-F391 HydrophobicContact CH2-CB 3.79Å; W335-F391 HydrophobicContact CH2-CG 4.09Å; L387-F391 HydrophobicContact CD2-CD2 4.32Å; L387-F391 HydrophobicContact CD2-CE2 3.97Å; L387-F391 WeakPolarHBondContact O-CB 3.37Å; L387-F391 VanDerWaalsContact O-CD2 3.3Å; L387-F391 WeakPolarHBondContact O-CD2 3.33Å; L387-F391 PolarHBondContact O-N 3.4Å; I389-F391 VanDerWaalsContact C-N 3.34Å; I389-F391 PolarHBondContact O-N 3.01Å; F391-V394 WeakPolarHBondContact O-CB 3.31Å; F391-V394 PolarHBondContact O-N 2.96Å; F391-L395 PolarHBondContact O-N 3.29Å
392F94.8Very high93.1Very high0 Ų013.4 Ų13.40%07%0.074CC..Hα-helixtrans-52-47.5-170.2-161.9-90.4000114.1L247 L388 I389 C390 V394 L395 V396 I400 L411 M414 I415 A418L247-F392 HydrophobicContact CD1-CB 3.86Å; L247-F392 HydrophobicContact CD1-CD1 3.45Å; L247-F392 VanDerWaalsContact CD1-CD1 3.45Å; L247-F392 HydrophobicContact CD1-CE1 4.36Å; L247-F392 HydrophobicContact CD1-CG 3.95Å; L247-F392 HydrophobicContact CD2-CB 4.28Å; L388-F392 WeakPolarHBondContact O-CB 3.31Å; L388-F392 PolarHBondContact O-N 2.92Å; I389-F392 VanDerWaalsContact O-CB 3.27Å; I389-F392 WeakPolarHBondContact O-CB 3.46Å; I389-F392 PolarHBondContact O-N 2.79Å; C390-F392 VanDerWaalsContact C-N 3.33Å; F392-V394 PolarHBondContact O-N 3.41Å; F392-L395 WeakPolarHBondContact O-CB 3.28Å; F392-L395 PolarHBondContact O-N 3.49Å; F392-V396 HydrophobicContact CD1-CG2 3.83Å; F392-V396 HydrophobicContact CE1-CG2 3.64Å; F392-V396 HydrophobicContact CZ-CG2 4.5Å; F392-V396 WeakPolarHBondContact O-CG2 3.36Å; F392-V396 PolarHBondContact O-N 3.38Å; F392-V396 VanDerWaalsContact O-N 3.16Å; F392-I400 HydrophobicContact CE2-CD1 4.19Å; F392-I400 HydrophobicContact CZ-CD1 4.02Å; F392-L411 HydrophobicContact CE1-CD1 4.04Å; F392-L411 HydrophobicContact CZ-CD1 4.21Å; F392-M414 VanDerWaalsContact CE2-C 3.5Å; F392-M414 HydrophobicContact CE2-CB 3.79Å; F392-M414 VanDerWaalsContact CE2-O 3.32Å; F392-M414 WeakPolarHBondContact CE2-O 3.49Å; F392-M414 HydrophobicContact CZ-CB 3.86Å; F392-I415 HydrophobicContact CE1-CG1 3.74Å; F392-I415 HydrophobicContact CZ-CB 4.33Å; F392-I415 HydrophobicContact CZ-CG1 3.54Å; F392-A418 HydrophobicContact CD2-CB 3.95Å; F392-A418 HydrophobicContact CE2-CB 4.05Å
393P92.8Very high92.8Very high4 Ų420 Ų203%0.02611%0.11CC..Hα-helixtrans-65.3-27.4-177.6-17.530.8000113.3M89 G243 Q246 L247M89-P393 HydrophobicContact CE-CB 3.77Å; M89-P393 HydrophobicContact CE-CG 4.37Å; G243-P393 VanDerWaalsContact O-CG 3.31Å; G243-P393 WeakPolarHBondContact O-CG 3.42Å; Q246-P393 HydrophobicContact CB-CB 4.49Å; Q246-P393 HydrophobicContact CB-CG 4.27Å; Q246-P393 HydrophobicContact CG-CB 3.98Å; Q246-P393 HydrophobicContact CG-CG 4.23Å; L247-P393 HydrophobicContact CB-CG 3.78Å; L247-P393 HydrophobicContact CD1-CG 4.17Å
394V89Confident92.7Very high1 Ų122.5 Ų22.51%0.00612%0.122CC..Hα-helixtrans-69.3-37.2174.2177.90000110.8L82 K85 L86 M89 F239 F391 F392 V396 T398L82-V394 HydrophobicContact CD1-CG1 3.35Å; L82-V394 HydrophobicContact CG-CG1 4.07Å; K85-V394 HydrophobicContact CB-CG1 4.26Å; K85-V394 HydrophobicContact CB-CG2 4.47Å; L86-V394 HydrophobicContact CD2-CG1 4.04Å; L86-V394 HydrophobicContact CD2-CG2 4.21Å; L86-V394 HydrophobicContact CG-CG1 4.18Å; M89-V394 HydrophobicContact CE-CG2 3.54Å; M89-V394 HydrophobicContact SD-CG2 3.23Å; M89-V394 WeakPolarHBondContact SD-CG2 3.44Å; F239-V394 HydrophobicContact CE2-CG2 4.14Å; F239-V394 HydrophobicContact CZ-CG2 4.12Å; F391-V394 WeakPolarHBondContact O-CB 3.31Å; F391-V394 PolarHBondContact O-N 2.96Å; F392-V394 PolarHBondContact O-N 3.41Å; V394-V396 VanDerWaalsContact C-N 3.33Å; V394-T398 WeakPolarHBondContact O-CG2 3.49Å; V394-T398 PolarHBondContact O-OG1 3.38Å
395L90.5Very high92.7Very high8 Ų827 Ų274%0.04215%0.153CC..Hα-helixtrans-68.1-32.3178.4-57.3179.9000112.1W293 W335 L388 F391 F392 G397 T398 V399 I400W293-L395 HydrophobicContact CH2-CD2 4.49Å; W335-L395 HydrophobicContact CZ3-CD1 4.01Å; W335-L395 HydrophobicContact CZ3-CD2 4.44Å; L388-L395 HydrophobicContact CD1-CD1 3.87Å; F391-L395 PolarHBondContact O-N 3.29Å; F392-L395 WeakPolarHBondContact O-CB 3.28Å; F392-L395 PolarHBondContact O-N 3.49Å; L395-G397 PolarHBondContact O-N 3.29Å; L395-T398 PolarHBondContact O-N 3.5Å; L395-T398 PolarHBondContact O-OG1 3.15Å; L395-V399 HydrophobicContact CD2-CG2 4.22Å; L395-V399 PolarHBondContact O-N 3.34Å; L395-I400 HydrophobicContact CB-CD1 3.88Å; L395-I400 HydrophobicContact CB-CG1 4.11Å; L395-I400 PolarHBondContact O-N 3.27Å
396V91.4Very high92.5Very high20 Ų2030.9 Ų30.912%0.12117%0.174CC..BIsolated β-bridgetrans-63.9122.9178.6-179.40000110.8K85 F392 V394 T398 I400 T402 L411K85-V396 PolarHBondContact NZ-O 3Å; K85-V396 VanDerWaalsContact NZ-O 3.1Å; F392-V396 HydrophobicContact CD1-CG2 3.83Å; F392-V396 HydrophobicContact CE1-CG2 3.64Å; F392-V396 HydrophobicContact CZ-CG2 4.5Å; F392-V396 WeakPolarHBondContact O-CG2 3.36Å; F392-V396 PolarHBondContact O-N 3.38Å; F392-V396 VanDerWaalsContact O-N 3.16Å; V394-V396 VanDerWaalsContact C-N 3.33Å; V396-T398 PolarHBondContact O-N 3.21Å; V396-I400 HydrophobicContact CG2-CD1 4.2Å; V396-T402 HydrophobicContact CG1-CG2 3.99Å; V396-L411 HydrophobicContact CG1-CD1 4.31Å; V396-L411 HydrophobicContact CG2-CD1 3.8Å
397G87.4Confident92.4Very high27 Ų2730.9 Ų30.928%0.27818%0.175SC..THydrogen-bonded Turntrans80.7-22.1-179.300000114.9L395 I400L395-G397 PolarHBondContact O-N 3.29Å; G397-I400 VanDerWaalsContact CA-O 3.31Å; G397-I400 WeakPolarHBondContact CA-O 3.44Å; G397-I400 PolarHBondContact N-O 3.45Å
398T85.5Confident92.4Very high4 Ų436.2 Ų36.23%0.02520%0.199CC..THydrogen-bonded Turntrans-89.9-62.1176.659.70000110.5E81 L82 K85 V394 L395 V396 K401E81-T398 HydrophobicContact CG-CG2 4.46Å; L82-T398 HydrophobicContact CD1-CG2 4.15Å; K85-T398 HydrophobicContact CD-CG2 3.99Å; V394-T398 WeakPolarHBondContact O-CG2 3.49Å; V394-T398 PolarHBondContact O-OG1 3.38Å; L395-T398 PolarHBondContact O-N 3.5Å; L395-T398 PolarHBondContact O-OG1 3.15Å; V396-T398 PolarHBondContact O-N 3.21Å; T398-K401 WeakPolarHBondContact O-CE 3.46Å; T398-K401 PolarHBondContact O-NZ 3.34Å
399V86.6Confident92.4Very high9 Ų940.8 Ų40.86%0.05522%0.222CC..THydrogen-bonded Turntrans-100.6-43.8-178.8-169.60000110I189 W293 N295 L395 K401I189-V399 HydrophobicContact CD1-CB 4.13Å; I189-V399 HydrophobicContact CD1-CG1 3.44Å; I189-V399 VanDerWaalsContact CD1-CG1 3.44Å; I189-V399 HydrophobicContact CG1-CG1 4.01Å; I189-V399 HydrophobicContact CG2-CG1 4.01Å; W293-V399 HydrophobicContact CH2-CB 4.33Å; W293-V399 HydrophobicContact CH2-CG1 3.71Å; W293-V399 HydrophobicContact CH2-CG2 4.08Å; W293-V399 HydrophobicContact CZ3-CG1 4.01Å; N295-V399 WeakPolarHBondContact ND2-CG1 3.34Å; L395-V399 HydrophobicContact CD2-CG2 4.22Å; L395-V399 PolarHBondContact O-N 3.34Å; V399-K401 PolarHBondContact O-N 3.27Å
400I91.2Very high92.4Very high1 Ų142.1 Ų42.11%0.00523%0.227CC..BIsolated β-bridgetrans-75.696.9170-52.3171.7000106.8I189 F392 L395 V396 G397 T402 R410 L411 M414I189-I400 HydrophobicContact CD1-CG1 3.93Å; F392-I400 HydrophobicContact CE2-CD1 4.19Å; F392-I400 HydrophobicContact CZ-CD1 4.02Å; L395-I400 HydrophobicContact CB-CD1 3.88Å; L395-I400 HydrophobicContact CB-CG1 4.11Å; L395-I400 PolarHBondContact O-N 3.27Å; V396-I400 HydrophobicContact CG2-CD1 4.2Å; G397-I400 VanDerWaalsContact CA-O 3.31Å; G397-I400 WeakPolarHBondContact CA-O 3.44Å; G397-I400 PolarHBondContact N-O 3.45Å; I400-T402 VanDerWaalsContact C-N 3.32Å; I400-T402 HydrophobicContact CG2-CG2 4.31Å; I400-T402 PolarHBondContact O-N 2.9Å; I400-R410 HydrophobicContact CG2-CB 4.36Å; I400-L411 HydrophobicContact CG2-CB 4.35Å; I400-L411 HydrophobicContact CG2-CD1 4.42Å; I400-M414 HydrophobicContact CD1-CB 3.69Å; I400-M414 HydrophobicContact CD1-CE 4.34Å; I400-M414 HydrophobicContact CD1-CG 3.81Å; I400-M414 HydrophobicContact CG1-CB 4.41Å; I400-M414 HydrophobicContact CG1-CG 3.99Å
401K89.7Confident92.4Very high50 Ų5043.3 Ų43.322%0.21723%0.233CC..  trans-71.182.8-176.5-55.9-57.4-175.5-179.70111.3G40 T398 V399 N403 H404 G407G40-K401 PolarHBondContact O-NZ 3.37Å; T398-K401 WeakPolarHBondContact O-CE 3.46Å; T398-K401 PolarHBondContact O-NZ 3.34Å; V399-K401 PolarHBondContact O-N 3.27Å; K401-N403 PolarHBondContact O-N 3.48Å; K401-H404 HydrophobicContact CB-CB 4.17Å; K401-H404 VanDerWaalsContact O-CB 3.24Å; K401-H404 WeakPolarHBondContact O-CB 3.37Å; K401-H404 PolarHBondContact O-N 3.47Å; K401-G407 WeakPolarHBondContact O-CA 3.33Å
402T91.4Very high92.6Very high60 Ų6045.1 Ų45.137%0.36824%0.243SC..THydrogen-bonded Turntrans-71-19-179.751.70000113.5V396 I400 H404 L411V396-T402 HydrophobicContact CG1-CG2 3.99Å; I400-T402 VanDerWaalsContact C-N 3.32Å; I400-T402 HydrophobicContact CG2-CG2 4.31Å; I400-T402 PolarHBondContact O-N 2.9Å; T402-H404 VanDerWaalsContact C-N 3.33Å; T402-L411 HydrophobicContact CG2-CB 4.42Å; T402-L411 HydrophobicContact CG2-CD2 4.38Å
403N91.2Very high92.7Very high142 Ų14248 Ų4876%0.75926%0.256SS*.THydrogen-bonded Turntrans-81.9-7.3173.865.8-22.1000114K401K401-N403 PolarHBondContact O-N 3.48Å
404H92.8Very high93Very high70 Ų7048 Ų4832%0.32426%0.256SS..SBendtrans-68.9152.3173.1-173.2-96.8000110.3K401 T402 N406 G407K401-H404 HydrophobicContact CB-CB 4.17Å; K401-H404 VanDerWaalsContact O-CB 3.24Å; K401-H404 WeakPolarHBondContact O-CB 3.37Å; K401-H404 PolarHBondContact O-N 3.47Å; T402-H404 VanDerWaalsContact C-N 3.33Å; H404-N406 PolarHBondContact ND1-N 3.01Å; H404-N406 VanDerWaalsContact ND1-N 3.15Å; H404-N406 PolarHBondContact O-N 3.32Å; H404-N406 VanDerWaalsContact O-N 3.11Å; H404-G407 WeakPolarHBondContact O-CA 3.39Å; H404-G407 PolarHBondContact O-N 2.8Å
405P96Very high93.4Very high111 Ų11148 Ų4872%0.72126%0.256SS*.THydrogen-bonded Turntrans-51.8-36.4176.1-30.636.7000114.2
406N95.1Very high93.7Very high82 Ų8250.2 Ų50.244%0.43927%0.272SS..THydrogen-bonded Turntrans-92.515.6175.1-61.4-20.7000113.8H404 H408 I409 R410H404-N406 PolarHBondContact ND1-N 3.01Å; H404-N406 VanDerWaalsContact ND1-N 3.15Å; H404-N406 PolarHBondContact O-N 3.32Å; H404-N406 VanDerWaalsContact O-N 3.11Å; N406-H408 VanDerWaalsContact C-N 3.26Å; N406-H408 PolarHBondContact O-N 3.24Å; N406-I409 PolarHBondContact O-N 2.95Å; N406-R410 WeakPolarHBondContact O-CG 3.47Å; N406-R410 PolarHBondContact O-N 3.44Å
407G95.8Very high94Very high1 Ų149.2 Ų49.21%0.0127%0.266CS..Hα-helixtrans-58.1-34.9-171.100000114K401 H404 R410 L411K401-G407 WeakPolarHBondContact O-CA 3.33Å; H404-G407 WeakPolarHBondContact O-CA 3.39Å; H404-G407 PolarHBondContact O-N 2.8Å; G407-R410 PolarHBondContact O-N 3.39Å; G407-L411 WeakPolarHBondContact O-CB 3.35Å; G407-L411 PolarHBondContact O-N 3.22Å
408H96.2Very high94.6Very high125 Ų12548 Ų4858%0.57925%0.253SS*.Hα-helixtrans-65.1-43.5175.166.3-77.2000112.4N406 L411 E412N406-H408 VanDerWaalsContact C-N 3.26Å; N406-H408 PolarHBondContact O-N 3.24Å; H408-L411 PolarHBondContact O-N 2.89Å; H408-E412 WeakPolarHBondContact O-CG 3.19Å; H408-E412 PolarHBondContact O-N 3.39Å
409I96.8Very high95.2Very high97 Ų9749.3 Ų49.350%0.49726%0.26SS..Hα-helixtrans-63.4-44.3175.8-63.8166.1000110.1N406 L411 E412 E413N406-I409 PolarHBondContact O-N 2.95Å; I409-L411 VanDerWaalsContact C-N 3.31Å; I409-L411 PolarHBondContact O-N 3.13Å; I409-E412 PolarHBondContact O-N 3.44Å; I409-E413 PolarHBondContact O-N 3Å
410R96.1Very high95.7Very high27 Ų2749 Ų4910%0.10226%0.258CS..Hα-helixtrans-60.1-42.5178.5-64.5-174.8170.3-178.6-4.1112D188 S190 I400 N406 G407 M414D188-R410 VanDerWaalsContact CG-CZ 3.48Å; D188-R410 IonicContact OD1-CZ 3.06Å; D188-R410 IonicContact OD1-NE 2.78Å; D188-R410 PolarHBondContact OD1-NE 3.38Å; D188-R410 IonicContact OD2-CZ 2.79Å; D188-R410 VanDerWaalsContact OD2-CZ 3.25Å; D188-R410 IonicContact OD2-NE 3.53Å; D188-R410 PolarHBondContact OD2-NE 2.99Å; D188-R410 IonicContact OD2-NH2 2.66Å; D188-R410 PolarHBondContact OD2-NH2 3Å; S190-R410 WeakPolarHBondContact CB-O 3.3Å; S190-R410 WeakPolarHBondContact OG-CA 3.47Å; S190-R410 WeakPolarHBondContact OG-CG 3.48Å; I400-R410 HydrophobicContact CG2-CB 4.36Å; N406-R410 WeakPolarHBondContact O-CG 3.47Å; N406-R410 PolarHBondContact O-N 3.44Å; G407-R410 PolarHBondContact O-N 3.39Å; R410-M414 VanDerWaalsContact O-CG 3.26Å; R410-M414 WeakPolarHBondContact O-CG 3.36Å; R410-M414 PolarHBondContact O-N 3.05Å
411L97.2Very high96.1Very high25 Ų2549 Ų4913%0.13126%0.258CS..Hα-helixtrans-64.9-46.9176.9179.160.5000111.4Y251 F392 V396 I400 T402 G407 H408 I409 E413 M414 I415Y251-L411 HydrophobicContact CE1-CD2 4.28Å; F392-L411 HydrophobicContact CE1-CD1 4.04Å; F392-L411 HydrophobicContact CZ-CD1 4.21Å; V396-L411 HydrophobicContact CG1-CD1 4.31Å; V396-L411 HydrophobicContact CG2-CD1 3.8Å; I400-L411 HydrophobicContact CG2-CB 4.35Å; I400-L411 HydrophobicContact CG2-CD1 4.42Å; T402-L411 HydrophobicContact CG2-CB 4.42Å; T402-L411 HydrophobicContact CG2-CD2 4.38Å; G407-L411 WeakPolarHBondContact O-CB 3.35Å; G407-L411 PolarHBondContact O-N 3.22Å; H408-L411 PolarHBondContact O-N 2.89Å; I409-L411 VanDerWaalsContact C-N 3.31Å; I409-L411 PolarHBondContact O-N 3.13Å; L411-E413 PolarHBondContact O-N 3Å; L411-M414 PolarHBondContact O-N 2.94Å; L411-I415 HydrophobicContact CD1-CD1 4.19Å; L411-I415 HydrophobicContact CD1-CG1 4.28Å; L411-I415 HydrophobicContact CG-CD1 3.99Å; L411-I415 HydrophobicContact CG-CG1 4.48Å; L411-I415 WeakPolarHBondContact O-CG1 3.47Å; L411-I415 PolarHBondContact O-N 2.81Å
412E97.3Very high96.5Very high84 Ų8447.2 Ų47.239%0.39325%0.25SS..Hα-helixtrans-62-42.8-179.7-77.6-57.5140.700113.1R254 H408 I409 M414 I415 S416R254-E412 IonicContact CZ-OE2 3.38Å; R254-E412 VanDerWaalsContact CZ-OE2 3.25Å; R254-E412 IonicContact NH1-OE1 3.4Å; R254-E412 PolarHBondContact NH1-OE1 2.91Å; R254-E412 IonicContact NH1-OE2 3.13Å; R254-E412 PolarHBondContact NH1-OE2 3.44Å; R254-E412 IonicContact NH2-OE2 2.78Å; R254-E412 PolarHBondContact NH2-OE2 3.36Å; H408-E412 WeakPolarHBondContact O-CG 3.19Å; H408-E412 PolarHBondContact O-N 3.39Å; I409-E412 PolarHBondContact O-N 3.44Å; E412-M414 VanDerWaalsContact C-N 3.31Å; E412-M414 PolarHBondContact O-N 3.43Å; E412-I415 PolarHBondContact O-N 2.74Å; E412-S416 WeakPolarHBondContact O-CB 3.35Å; E412-S416 PolarHBondContact O-N 2.88Å
413E97.2Very high96.9Very high61 Ų6149.8 Ų49.829%0.28526%0.258SS..Hα-helixtrans-61.5-40.9174.8174.554.3-147.800111.4S190 S338 I409 L411 S416 R417S190-E413 WeakPolarHBondContact O-CG 3.36Å; S338-E413 WeakPolarHBondContact CB-OE1 3.18Å; I409-E413 PolarHBondContact O-N 3Å; L411-E413 PolarHBondContact O-N 3Å; E413-S416 PolarHBondContact O-N 2.91Å; E413-R417 WeakPolarHBondContact O-CB 3.37Å; E413-R417 PolarHBondContact O-N 3.18Å; E413-R417 IonicContact OE1-NH2 2.99Å
414M97.6Very high97.2Very high4 Ų443.9 Ų43.92%0.0223%0.226CC..Hα-helixtrans-68.9-38.2177.5-70.3-61.8-57.700112.6I189 F392 I400 R410 L411 E412 R417 A418I189-M414 HydrophobicContact CD1-CE 4.26Å; I189-M414 HydrophobicContact CD1-SD 4.33Å; F392-M414 VanDerWaalsContact CE2-C 3.5Å; F392-M414 HydrophobicContact CE2-CB 3.79Å; F392-M414 VanDerWaalsContact CE2-O 3.32Å; F392-M414 WeakPolarHBondContact CE2-O 3.49Å; F392-M414 HydrophobicContact CZ-CB 3.86Å; I400-M414 HydrophobicContact CD1-CB 3.69Å; I400-M414 HydrophobicContact CD1-CE 4.34Å; I400-M414 HydrophobicContact CD1-CG 3.81Å; I400-M414 HydrophobicContact CG1-CB 4.41Å; I400-M414 HydrophobicContact CG1-CG 3.99Å; R410-M414 VanDerWaalsContact O-CG 3.26Å; R410-M414 WeakPolarHBondContact O-CG 3.36Å; R410-M414 PolarHBondContact O-N 3.05Å; L411-M414 PolarHBondContact O-N 2.94Å; E412-M414 VanDerWaalsContact C-N 3.31Å; E412-M414 PolarHBondContact O-N 3.43Å; M414-R417 WeakPolarHBondContact O-CB 3.42Å; M414-R417 PolarHBondContact O-N 3.42Å; M414-R417 VanDerWaalsContact SD-CZ 3.52Å; M414-R417 PolarHBondContact SD-NH1 3.35Å; M414-A418 WeakPolarHBondContact O-CB 3.48Å; M414-A418 PolarHBondContact O-N 3.44Å
415I97.9Very high97.4Very high0 Ų040.5 Ų40.50%021%0.21CC..Hα-helixtrans-61.5-47.6172.7-70.2172.2000109.6Y251 R254 F255 F392 L411 E412 R417 A418 L419Y251-I415 HydrophobicContact CD1-CD1 3.93Å; Y251-I415 HydrophobicContact CE1-CD1 3.83Å; R254-I415 HydrophobicContact CB-CG2 4.48Å; F255-I415 HydrophobicContact CE2-CG1 4.4Å; F255-I415 HydrophobicContact CE2-CG2 4Å; F255-I415 HydrophobicContact CZ-CG1 4.47Å; F255-I415 HydrophobicContact CZ-CG2 4.01Å; F392-I415 HydrophobicContact CE1-CG1 3.74Å; F392-I415 HydrophobicContact CZ-CB 4.33Å; F392-I415 HydrophobicContact CZ-CG1 3.54Å; L411-I415 HydrophobicContact CD1-CD1 4.19Å; L411-I415 HydrophobicContact CD1-CG1 4.28Å; L411-I415 HydrophobicContact CG-CD1 3.99Å; L411-I415 HydrophobicContact CG-CG1 4.48Å; L411-I415 WeakPolarHBondContact O-CG1 3.47Å; L411-I415 PolarHBondContact O-N 2.81Å; E412-I415 PolarHBondContact O-N 2.74Å; I415-R417 VanDerWaalsContact C-N 3.32Å; I415-R417 PolarHBondContact O-N 3.02Å; I415-A418 PolarHBondContact O-N 3.46Å; I415-L419 HydrophobicContact CG2-CD1 3.79Å; I415-L419 HydrophobicContact CG2-CG 4.34Å; I415-L419 WeakPolarHBondContact O-CG 3.45Å; I415-L419 PolarHBondContact O-N 2.96Å
416S97.7Very high97.5Very high54 Ų5438.6 Ų38.638%0.37819%0.193SC..Hα-helixtrans-58.3-44.6177.1-172.10000111.7E412 E413 A418 L419 A420E412-S416 WeakPolarHBondContact O-CB 3.35Å; E412-S416 PolarHBondContact O-N 2.88Å; E413-S416 PolarHBondContact O-N 2.91Å; S416-A418 PolarHBondContact O-N 2.88Å; S416-L419 PolarHBondContact O-N 3.1Å; S416-A420 VanDerWaalsContact O-CB 3.27Å; S416-A420 WeakPolarHBondContact O-CB 3.47Å; S416-A420 PolarHBondContact O-N 3.28Å
417R98.1Very high97.6Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-57.8-46.3176.3-174.9-179.7-58.3174.24.6112.2I189 S190 I334 W335 T337 R342 L388 E413 M414 I415 A421I189-R417 PolarHBondContact O-NH1 3.38Å; I189-R417 PolarHBondContact O-NH2 2.92Å; S190-R417 PolarHBondContact O-NH2 3.37Å; I334-R417 WeakPolarHBondContact O-CD 3.37Å; W335-R417 PolarHBondContact O-NH1 2.94Å; T337-R417 WeakPolarHBondContact O-CD 3.41Å; T337-R417 PolarHBondContact O-NE 3.43Å; T337-R417 VanDerWaalsContact O-NE 3.17Å; R342-R417 PolarHBondContact NH2-O 3.48Å; L388-R417 HydrophobicContact CD2-CG 4.4Å; E413-R417 WeakPolarHBondContact O-CB 3.37Å; E413-R417 PolarHBondContact O-N 3.18Å; E413-R417 IonicContact OE1-NH2 2.99Å; M414-R417 WeakPolarHBondContact O-CB 3.42Å; M414-R417 PolarHBondContact O-N 3.42Å; M414-R417 VanDerWaalsContact SD-CZ 3.52Å; M414-R417 PolarHBondContact SD-NH1 3.35Å; I415-R417 VanDerWaalsContact C-N 3.32Å; I415-R417 PolarHBondContact O-N 3.02Å; R417-A421 WeakPolarHBondContact O-CB 3.44Å; R417-A421 PolarHBondContact O-N 3.25Å
418A98.4Very high97.6Very high0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-67.8-46.9-178.600000111.9L388 I389 F392 M414 I415 S416 A421 Y422L388-A418 HydrophobicContact CD2-CB 4.09Å; L388-A418 HydrophobicContact CG-CB 4.12Å; I389-A418 HydrophobicContact CD1-CB 3.95Å; F392-A418 HydrophobicContact CD2-CB 3.95Å; F392-A418 HydrophobicContact CE2-CB 4.05Å; M414-A418 WeakPolarHBondContact O-CB 3.48Å; M414-A418 PolarHBondContact O-N 3.44Å; I415-A418 PolarHBondContact O-N 3.46Å; S416-A418 PolarHBondContact O-N 2.88Å; A418-A421 PolarHBondContact O-N 3.49Å; A418-Y422 PolarHBondContact O-N 2.9Å
419L98.5Very high97.4Very high32 Ų3234.8 Ų34.817%0.16818%0.179CC..Hα-helixtrans-63.3-44.9177.6-71.5173.6000112.1R254 F255 V258 I415 S416 A421 Y422 E423R254-L419 WeakPolarHBondContact O-CD2 3.48Å; F255-L419 HydrophobicContact CD1-CD2 3.6Å; F255-L419 HydrophobicContact CD1-CG 4.41Å; F255-L419 HydrophobicContact CE1-CD2 3.66Å; F255-L419 HydrophobicContact CE1-CG 4Å; F255-L419 HydrophobicContact CG-CD2 4.21Å; F255-L419 HydrophobicContact CZ-CD2 4.36Å; F255-L419 HydrophobicContact CZ-CG 4.32Å; V258-L419 HydrophobicContact CG2-CD2 4.2Å; I415-L419 HydrophobicContact CG2-CD1 3.79Å; I415-L419 HydrophobicContact CG2-CG 4.34Å; I415-L419 WeakPolarHBondContact O-CG 3.45Å; I415-L419 PolarHBondContact O-N 2.96Å; S416-L419 PolarHBondContact O-N 3.1Å; L419-A421 VanDerWaalsContact C-N 3.32Å; L419-A421 PolarHBondContact O-N 3.35Å; L419-Y422 WeakPolarHBondContact O-CB 3.35Å; L419-Y422 PolarHBondContact O-N 3.02Å; L419-Y422 VanDerWaalsContact O-N 3.13Å; L419-E423 WeakPolarHBondContact O-CG 3.46Å; L419-E423 PolarHBondContact O-N 3.33Å
420A98.6Very high97.2Very high4 Ų433.4 Ų33.43%0.03319%0.189CC..Hα-helixtrans-63-38.7176.100000112.2A339 S416 Y422 E423 E424A339-A420 HydrophobicContact CB-CB 3.36Å; S416-A420 VanDerWaalsContact O-CB 3.27Å; S416-A420 WeakPolarHBondContact O-CB 3.47Å; S416-A420 PolarHBondContact O-N 3.28Å; A420-Y422 VanDerWaalsContact C-N 3.3Å; A420-Y422 PolarHBondContact O-N 2.98Å; A420-E423 PolarHBondContact O-N 2.78Å; A420-E424 WeakPolarHBondContact O-CB 3.43Å; A420-E424 VanDerWaalsContact O-CD 3.26Å; A420-E424 WeakPolarHBondContact O-CG 3.41Å; A420-E424 PolarHBondContact O-N 3.49Å
421A98.6Very high97Very high0 Ų035.9 Ų35.90%020%0.201CC..Hα-helixtrans-64.1-37.417500000111.6I334 A385 R417 A418 L419 A425I334-A421 HydrophobicContact CG2-CB 3.94Å; A385-A421 HydrophobicContact CB-CB 3.84Å; A385-A421 WeakPolarHBondContact CB-O 3.44Å; R417-A421 WeakPolarHBondContact O-CB 3.44Å; R417-A421 PolarHBondContact O-N 3.25Å; A418-A421 PolarHBondContact O-N 3.49Å; L419-A421 VanDerWaalsContact C-N 3.32Å; L419-A421 PolarHBondContact O-N 3.35Å; A421-A425 VanDerWaalsContact O-CB 3.31Å; A421-A425 WeakPolarHBondContact O-CB 3.47Å; A421-A425 PolarHBondContact O-N 3.01Å
422Y98.6Very high96.7Very high13 Ų1340.8 Ų40.85%0.05123%0.234CC..Hα-helixtrans-62.5-48.2173.7174.9-97.5000111.7V258 D259 V263 F386 A418 L419 A420 E424 A425 L426V258-Y422 HydrophobicContact CB-CE2 4.46Å; V258-Y422 HydrophobicContact CG1-CD2 4.15Å; V258-Y422 HydrophobicContact CG1-CE2 3.87Å; V258-Y422 HydrophobicContact CG2-CD1 4.07Å; V258-Y422 HydrophobicContact CG2-CD2 4.36Å; V258-Y422 HydrophobicContact CG2-CE1 4.16Å; V258-Y422 HydrophobicContact CG2-CE2 4.49Å; V258-Y422 HydrophobicContact CG2-CG 4.18Å; D259-Y422 WeakPolarHBondContact CB-OH 3.31Å; D259-Y422 PolarHBondContact N-OH 3.34Å; V263-Y422 HydrophobicContact CG2-CD2 4.19Å; V263-Y422 HydrophobicContact CG2-CE2 3.76Å; F386-Y422 AromaticContact CD1-CD2 3.84Å; F386-Y422 HydrophobicContact CD1-CD2 3.84Å; F386-Y422 HydrophobicContact CD1-CE2 4.36Å; F386-Y422 AromaticContact CE1-CD2 3.44Å; F386-Y422 HydrophobicContact CE1-CD2 3.44Å; F386-Y422 VanDerWaalsContact CE1-CD2 3.44Å; F386-Y422 AromaticContact CE1-CE2 3.75Å; F386-Y422 HydrophobicContact CE1-CE2 3.75Å; F386-Y422 HydrophobicContact CE1-CG 4.45Å; F386-Y422 HydrophobicContact CZ-CD2 4.48Å; F386-Y422 HydrophobicContact CZ-CE2 4.41Å; A418-Y422 PolarHBondContact O-N 2.9Å; L419-Y422 WeakPolarHBondContact O-CB 3.35Å; L419-Y422 PolarHBondContact O-N 3.02Å; L419-Y422 VanDerWaalsContact O-N 3.13Å; A420-Y422 VanDerWaalsContact C-N 3.3Å; A420-Y422 PolarHBondContact O-N 2.98Å; Y422-E424 PolarHBondContact O-N 3.46Å; Y422-A425 WeakPolarHBondContact O-CB 3.35Å; Y422-A425 PolarHBondContact O-N 3.25Å; Y422-L426 HydrophobicContact CD1-CD1 4.22Å; Y422-L426 HydrophobicContact CE1-CD1 3.53Å; Y422-L426 HydrophobicContact CE1-CG 4.12Å; Y422-L426 HydrophobicContact CE2-CD2 4.42Å; Y422-L426 WeakPolarHBondContact O-CG 3.45Å; Y422-L426 PolarHBondContact O-N 2.91Å
423E98.4Very high96.5Very high113 Ų11337.4 Ų37.453%0.52822%0.218SC..Hα-helixtrans-61.5-44.7177.2-68.5169-179.300112.2L419 A420 A425 L426 V427L419-E423 WeakPolarHBondContact O-CG 3.46Å; L419-E423 PolarHBondContact O-N 3.33Å; A420-E423 PolarHBondContact O-N 2.78Å; E423-A425 VanDerWaalsContact C-N 3.3Å; E423-A425 PolarHBondContact O-N 2.94Å; E423-L426 PolarHBondContact O-N 3.3Å; E423-V427 WeakPolarHBondContact O-CG2 3.32Å; E423-V427 PolarHBondContact O-N 3.38Å
424E98.2Very high96.1Very high18 Ų1838.2 Ų38.28%0.08422%0.224CC..Hα-helixtrans-60.3-40.7175.9-73.1159.4177.900111.5R342 R343 F381 A420 Y422 V427 Y428R342-E424 IonicContact CZ-OE2 3.65Å; R342-E424 VanDerWaalsContact CZ-OE2 3.31Å; R342-E424 IonicContact NE-OE1 2.82Å; R342-E424 IonicContact NE-OE2 3.5Å; R342-E424 PolarHBondContact NE-OE2 3.44Å; R342-E424 IonicContact NH2-OE1 2.94Å; R342-E424 IonicContact NH2-OE2 3.46Å; R342-E424 PolarHBondContact NH2-OE2 3.1Å; R343-E424 IonicContact NH1-OE1 2.75Å; F381-E424 HydrophobicContact CE1-CB 3.65Å; F381-E424 HydrophobicContact CZ-CB 3.79Å; F381-E424 WeakPolarHBondContact CZ-OE2 2.99Å; A420-E424 WeakPolarHBondContact O-CB 3.43Å; A420-E424 VanDerWaalsContact O-CD 3.26Å; A420-E424 WeakPolarHBondContact O-CG 3.41Å; A420-E424 PolarHBondContact O-N 3.49Å; Y422-E424 PolarHBondContact O-N 3.46Å; E424-V427 WeakPolarHBondContact O-CB 3.39Å; E424-V427 PolarHBondContact O-N 2.63Å; E424-Y428 VanDerWaalsContact O-CD2 3.24Å; E424-Y428 WeakPolarHBondContact O-CD2 3.32Å; E424-Y428 PolarHBondContact O-N 2.98Å; E424-Y428 VanDerWaalsContact O-N 3.07Å
425A98.1Very high95.7Very high0 Ų038 Ų380%022%0.223CC..Hα-helixtrans-60.9-45.1173.900000111.9F381 P382 A385 F386 A421 Y422 E423 V427 Y428 L429F381-A425 HydrophobicContact CD1-CB 4.2Å; F381-A425 HydrophobicContact CE1-CB 4.34Å; P382-A425 HydrophobicContact CB-CB 3.93Å; P382-A425 HydrophobicContact CG-CB 4.21Å; A385-A425 HydrophobicContact CB-CB 3.95Å; F386-A425 HydrophobicContact CD1-CB 4.38Å; F386-A425 HydrophobicContact CE1-CB 3.63Å; F386-A425 HydrophobicContact CZ-CB 3.92Å; A421-A425 VanDerWaalsContact O-CB 3.31Å; A421-A425 WeakPolarHBondContact O-CB 3.47Å; A421-A425 PolarHBondContact O-N 3.01Å; Y422-A425 WeakPolarHBondContact O-CB 3.35Å; Y422-A425 PolarHBondContact O-N 3.25Å; E423-A425 VanDerWaalsContact C-N 3.3Å; E423-A425 PolarHBondContact O-N 2.94Å; A425-V427 VanDerWaalsContact C-N 3.29Å; A425-V427 PolarHBondContact O-N 3.39Å; A425-Y428 PolarHBondContact O-N 3.27Å; A425-Y428 VanDerWaalsContact O-N 3.17Å; A425-L429 VanDerWaalsContact O-CG 3.28Å; A425-L429 WeakPolarHBondContact O-CG 3.46Å; A425-L429 PolarHBondContact O-N 3.07Å
426L97.5Very high94.7Very high70 Ų7039.8 Ų39.837%0.36623%0.232SC..Hα-helixtrans-60.7-39.3176.4-65.2-175.1000112.1V262 Y422 E423 Y428 L429 G430V262-L426 HydrophobicContact CG1-CD2 3.97Å; Y422-L426 HydrophobicContact CD1-CD1 4.22Å; Y422-L426 HydrophobicContact CE1-CD1 3.53Å; Y422-L426 HydrophobicContact CE1-CG 4.12Å; Y422-L426 HydrophobicContact CE2-CD2 4.42Å; Y422-L426 WeakPolarHBondContact O-CG 3.45Å; Y422-L426 PolarHBondContact O-N 2.91Å; E423-L426 PolarHBondContact O-N 3.3Å; L426-Y428 PolarHBondContact O-N 3.13Å; L426-L429 PolarHBondContact O-N 3.31Å; L426-G430 PolarHBondContact O-N 3.27Å
427V96.8Very high92.9Very high87 Ų8741.2 Ų41.253%0.52725%0.247SC..Hα-helixtrans-60.7-43.5174.7171.30000111.3E423 E424 A425 G430 K431E423-V427 WeakPolarHBondContact O-CG2 3.32Å; E423-V427 PolarHBondContact O-N 3.38Å; E424-V427 WeakPolarHBondContact O-CB 3.39Å; E424-V427 PolarHBondContact O-N 2.63Å; A425-V427 VanDerWaalsContact C-N 3.29Å; A425-V427 PolarHBondContact O-N 3.39Å; V427-G430 PolarHBondContact O-N 3.31Å; V427-K431 WeakPolarHBondContact O-CG 3.37Å
428Y95.4Very high90.8Very high12 Ų1243.9 Ų43.95%0.04727%0.265CS..Hα-helixtrans-68.2-38.3176.9-66.2-45.8000113.1Q346 W374 E378 F381 E424 A425 L426 G430 K431Q346-Y428 PolarHBondContact NE2-OH 3.5Å; W374-Y428 HydrophobicContact CZ2-CE1 4.39Å; E378-Y428 HydrophobicContact CB-CD1 3.78Å; E378-Y428 HydrophobicContact CB-CE1 4.28Å; E378-Y428 HydrophobicContact CB-CG 4.04Å; E378-Y428 HydrophobicContact CG-CD1 3.44Å; E378-Y428 VanDerWaalsContact CG-CD1 3.44Å; E378-Y428 HydrophobicContact CG-CE1 3.48Å; E378-Y428 VanDerWaalsContact CG-CE1 3.48Å; E378-Y428 HydrophobicContact CG-CG 4.15Å; E378-Y428 WeakPolarHBondContact OE1-CD1 2.87Å; E378-Y428 WeakPolarHBondContact OE1-CE1 3.17Å; F381-Y428 HydrophobicContact CB-CD2 3.87Å; F381-Y428 HydrophobicContact CB-CE2 4.04Å; F381-Y428 AromaticContact CD1-CD2 3.62Å; F381-Y428 HydrophobicContact CD1-CD2 3.62Å; F381-Y428 AromaticContact CD1-CE2 3.73Å; F381-Y428 HydrophobicContact CD1-CE2 3.73Å; F381-Y428 HydrophobicContact CD2-CD2 4.38Å; F381-Y428 AromaticContact CD2-CE2 3.78Å; F381-Y428 HydrophobicContact CD2-CE2 3.78Å; F381-Y428 HydrophobicContact CE1-CD2 4.26Å; F381-Y428 HydrophobicContact CE1-CE2 4.1Å; F381-Y428 HydrophobicContact CE2-CE2 4.13Å; F381-Y428 AromaticContact CG-CD2 3.71Å; F381-Y428 HydrophobicContact CG-CD2 3.71Å; F381-Y428 AromaticContact CG-CE2 3.58Å; F381-Y428 HydrophobicContact CG-CE2 3.58Å; F381-Y428 HydrophobicContact CZ-CE2 4.29Å; E424-Y428 VanDerWaalsContact O-CD2 3.24Å; E424-Y428 WeakPolarHBondContact O-CD2 3.32Å; E424-Y428 PolarHBondContact O-N 2.98Å; E424-Y428 VanDerWaalsContact O-N 3.07Å; A425-Y428 PolarHBondContact O-N 3.27Å; A425-Y428 VanDerWaalsContact O-N 3.17Å; L426-Y428 PolarHBondContact O-N 3.13Å; Y428-G430 VanDerWaalsContact C-N 3.25Å; Y428-G430 PolarHBondContact O-N 3.35Å; Y428-K431 HydrophobicContact CD1-CD 4.31Å; Y428-K431 PolarHBondContact O-N 3.23Å
429L92.6Very high88.5Confident29 Ų2944.7 Ų44.715%0.15227%0.272CS..Hα-helixtrans-65.8-28.5176.1-68.3178.2000112.9V262 Y266 P382 F386 A425 L426 K431V262-L429 HydrophobicContact CG1-CD1 4.37Å; Y266-L429 HydrophobicContact CD1-CD2 3.87Å; Y266-L429 HydrophobicContact CD2-CD1 3.77Å; Y266-L429 HydrophobicContact CD2-CD2 4.49Å; Y266-L429 HydrophobicContact CE1-CD1 4.32Å; Y266-L429 HydrophobicContact CE1-CD2 3.29Å; Y266-L429 HydrophobicContact CE1-CG 4.41Å; Y266-L429 HydrophobicContact CE2-CD1 3.51Å; Y266-L429 HydrophobicContact CE2-CD2 4.01Å; Y266-L429 HydrophobicContact CE2-CG 4.33Å; Y266-L429 HydrophobicContact CG-CD1 4.29Å; Y266-L429 HydrophobicContact CG-CD2 4.44Å; P382-L429 HydrophobicContact CB-CD1 4.17Å; P382-L429 HydrophobicContact CB-CD2 4.02Å; P382-L429 HydrophobicContact CB-CG 4.08Å; P382-L429 HydrophobicContact CG-CD1 4.4Å; P382-L429 HydrophobicContact CG-CD2 3.64Å; P382-L429 HydrophobicContact CG-CG 3.76Å; F386-L429 HydrophobicContact CE2-CD1 4.05Å; F386-L429 HydrophobicContact CZ-CD1 3.92Å; A425-L429 VanDerWaalsContact O-CG 3.28Å; A425-L429 WeakPolarHBondContact O-CG 3.46Å; A425-L429 PolarHBondContact O-N 3.07Å; L426-L429 PolarHBondContact O-N 3.31Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 3.02Å
430G92.1Very high86Confident68 Ų6848.9 Ų48.970%0.70129%0.293SS*.THydrogen-bonded Turntrans-77.8-7.717600000115L426 V427 Y428L426-G430 PolarHBondContact O-N 3.27Å; V427-G430 PolarHBondContact O-N 3.31Å; Y428-G430 VanDerWaalsContact C-N 3.25Å; Y428-G430 PolarHBondContact O-N 3.35Å
431K91.5Very high83.4Confident80 Ų8056.4 Ų56.435%0.34834%0.342SS..SBendtrans-94.9145.4-179.1-70.5169.5179.7173.80111.8E378 V427 Y428 L429 N433E378-K431 IonicContact OE1-NZ 3.25Å; E378-K431 PolarHBondContact OE1-NZ 3.48Å; V427-K431 WeakPolarHBondContact O-CG 3.37Å; Y428-K431 HydrophobicContact CD1-CD 4.31Å; Y428-K431 PolarHBondContact O-N 3.23Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 3.02Å; K431-N433 PolarHBondContact O-N 3Å
432P91.4Very high82.6Confident128 Ų12859.2 Ų59.283%0.83136%0.359SS*.  trans-57.6127.2164.5-2132.5000110.2
433N93.2Very high81.8Confident13 Ų1361.6 Ų61.67%0.0738%0.375CS..  trans-141.8131.1179.1-171.2-50.9000109.2L375 K431 F435 H436L375-N433 PolarHBondContact O-ND2 3.03Å; K431-N433 PolarHBondContact O-N 3Å; N433-F435 PolarHBondContact O-N 3.05Å; N433-F435 VanDerWaalsContact O-N 3.13Å; N433-F435 WeakPolarHBondContact OD1-CD2 3.48Å; N433-F435 PolarHBondContact OD1-N 3.18Å; N433-H436 HydrophobicContact CB-CB 4.33Å; N433-H436 PolarHBondContact O-N 2.87Å; N433-H436 VanDerWaalsContact O-N 3.07Å
434L89.8Confident80.8Confident77 Ų7758.8 Ų58.840%0.40337%0.366SS..THydrogen-bonded Turntrans-62.1-23.3-17574.790.2000113.2I282 L375I282-L434 HydrophobicContact CD1-CD1 3.69Å; L375-L434 HydrophobicContact CB-CD2 4.5Å; L375-L434 HydrophobicContact CD1-CD2 3.57Å; L375-L434 HydrophobicContact CD1-CG 4.29Å
435F88.8Confident79.8Confident0 Ų061.2 Ų61.20%038%0.383CS..THydrogen-bonded Turntrans-89.4-13.3179.1-56.7-70.7000113.6L275 I279 I282 T372 L375 A376 A379 N433 S438L275-F435 HydrophobicContact CD1-CB 3.74Å; L275-F435 WeakPolarHBondContact CD1-O 3.32Å; I279-F435 HydrophobicContact CB-CD1 4.29Å; I279-F435 HydrophobicContact CB-CE1 4.27Å; I279-F435 HydrophobicContact CG1-CB 4.2Å; I279-F435 HydrophobicContact CG1-CD1 3.58Å; I279-F435 HydrophobicContact CG1-CD2 4.25Å; I279-F435 HydrophobicContact CG1-CE1 3.94Å; I279-F435 HydrophobicContact CG1-CG 3.75Å; I279-F435 HydrophobicContact CG1-CZ 4.41Å; I282-F435 HydrophobicContact CB-CE1 4.4Å; I282-F435 HydrophobicContact CD1-CE1 3.92Å; I282-F435 HydrophobicContact CD1-CZ 4.35Å; I282-F435 HydrophobicContact CG1-CE1 4.47Å; T372-F435 HydrophobicContact CG2-CZ 4.28Å; L375-F435 HydrophobicContact CB-CD2 4.3Å; L375-F435 HydrophobicContact CB-CE2 4.05Å; A376-F435 HydrophobicContact CB-CD2 4.23Å; A376-F435 HydrophobicContact CB-CE2 3.62Å; A376-F435 HydrophobicContact CB-CZ 4.06Å; A379-F435 HydrophobicContact CB-CB 4.06Å; A379-F435 HydrophobicContact CB-CD2 4.44Å; N433-F435 PolarHBondContact O-N 3.05Å; N433-F435 VanDerWaalsContact O-N 3.13Å; N433-F435 WeakPolarHBondContact OD1-CD2 3.48Å; N433-F435 PolarHBondContact OD1-N 3.18Å; F435-S438 PolarHBondContact O-OG 2.88Å
436H77.1Confident78.7Confident38 Ų3865 Ų6518%0.17641%0.407CS..THydrogen-bonded Turntrans-77-34.7179.8-69.7174.6000112.3N433 S438 A439N433-H436 HydrophobicContact CB-CB 4.33Å; N433-H436 PolarHBondContact O-N 2.87Å; N433-H436 VanDerWaalsContact O-N 3.07Å; H436-S438 VanDerWaalsContact C-N 3.28Å; H436-S438 PolarHBondContact O-N 3.41Å; H436-A439 PolarHBondContact O-N 2.92Å
437A59.4Low77.4Confident84 Ų8464.7 Ų64.769%0.69441%0.41SS*.THydrogen-bonded Turntrans-66.3-29.7-176.900000113.2
438S54.2Low76Confident56 Ų5663.1 Ų63.139%0.39240%0.401SS..THydrogen-bonded Turntrans-91.8-10-178.440.30000113.9S278 F435 H436 I440S278-S438 VanDerWaalsContact CB-OG 3.28Å; S278-S438 WeakPolarHBondContact CB-OG 3.48Å; S278-S438 WeakPolarHBondContact OG-CB 3.26Å; S278-S438 PolarHBondContact OG-OG 3.32Å; F435-S438 PolarHBondContact O-OG 2.88Å; H436-S438 VanDerWaalsContact C-N 3.28Å; H436-S438 PolarHBondContact O-N 3.41Å; S438-I440 VanDerWaalsContact C-N 3.3Å
439A50.5Low74.5Confident17 Ų1767 Ų6714%0.1443%0.428CS..SBendtrans-85.60.8-179.200000113.8L275 H436 P441L275-A439 HydrophobicContact CB-CB 4.07Å; L275-A439 HydrophobicContact CD1-CB 4.36Å; H436-A439 PolarHBondContact O-N 2.92Å; A439-P441 WeakPolarHBondContact O-CD 3.49Å
440I45.3Very low73Confident119 Ų11970.2 Ų70.261%0.6145%0.451SS*.  trans-97.2107.7176.7-53.4173.4000107.4S438S438-I440 VanDerWaalsContact C-N 3.3Å
441P43.2Very low71.3Confident162 Ų16270.4 Ų70.4100%1.05243%0.429SS*.  trans-64.70167.527.3-32.5000112.3A439A439-P441 WeakPolarHBondContact O-CD 3.49Å

Retrieved 441 of 441 residues in 3299.6 ms (Link to these results)

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