CTSR_STAA8 Loading...

Transcriptional regulator CtsR

Negative regulator of clpC, clpB and clpP transcription by binding directly and specifically to their promoter region.

AlphaFold DB , UniProt , Accession Q2G0P8, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene ctsR, Length 153 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low84.9Confident235 Ų23566.5 Ų66.5100%1.15833%0.326SS*.  0110.40-141.6166.789.900105.4N3M1-N3 PolarHBondContact O-N 2.83Å
2H52Low85.8Confident117 Ų11761 Ų6154%0.54230%0.299SS..  trans-68.1106.4180-115.9-0.1000107.9I7 Q10H2-I7 HydrophobicContact CB-CD1 4.15Å; H2-I7 HydrophobicContact CB-CG1 4.08Å; H2-Q10 PolarHBondContact CE1-NE2 2.9Å; H2-Q10 VanDerWaalsContact CE1-NE2 3.28Å; H2-Q10 PolarHBondContact NE2-NE2 3.14Å
3N85.8Confident86.4Confident88 Ų8860.8 Ų60.847%0.47130%0.295SS..  trans-66.6141.6173.5-172.7-11.5000106.9M1 S5 D6 I7M1-N3 PolarHBondContact O-N 2.83Å; N3-S5 PolarHBondContact O-N 3.24Å; N3-S5 PolarHBondContact OD1-N 3.02Å; N3-D6 WeakPolarHBondContact CB-OD2 3.09Å; N3-D6 PolarHBondContact N-OD2 3.27Å; N3-D6 WeakPolarHBondContact O-CB 3.42Å; N3-D6 PolarHBondContact O-N 3.41Å; N3-I7 PolarHBondContact O-N 3.41Å
4M92.2Very high87Confident61 Ų6164.2 Ų64.230%0.330%0.303SS..Hα-helixtrans-50.8-31.5176.1-17459.374.800111.7I7 I8 F35 C37 Q41M4-I7 PolarHBondContact O-N 3.2Å; M4-I8 HydrophobicContact CG-CD1 4.01Å; M4-I8 WeakPolarHBondContact O-CG1 3.49Å; M4-I8 PolarHBondContact O-N 3.25Å; M4-I8 VanDerWaalsContact O-N 3.09Å; M4-I8 HydrophobicContact SD-CD1 4.49Å; M4-F35 WeakPolarHBondContact CE-O 3.05Å; M4-F35 HydrophobicContact SD-CB 3.82Å; M4-F35 HydrophobicContact SD-CG 4.49Å; M4-C37 HydrophobicContact CE-CB 4.41Å; M4-C37 HydrophobicContact CG-CB 4.07Å; M4-C37 HydrophobicContact SD-CB 4.39Å; M4-Q41 HydrophobicContact CB-CG 4.48Å; M4-Q41 HydrophobicContact CG-CG 3.86Å
5S93.4Very high87.6Confident3 Ų362.5 Ų62.52%0.02130%0.296CS..Hα-helixtrans-57.1-47.5172.4-56.30000113.3N3 I7 I8 E9 Q41N3-S5 PolarHBondContact O-N 3.24Å; N3-S5 PolarHBondContact OD1-N 3.02Å; S5-I7 VanDerWaalsContact C-N 3.33Å; S5-I7 PolarHBondContact O-N 3.23Å; S5-I8 PolarHBondContact O-N 3.16Å; S5-E9 WeakPolarHBondContact O-CB 3.46Å; S5-E9 PolarHBondContact O-N 3.1Å; S5-Q41 PolarHBondContact OG-NE2 3.47Å
6D93.5Very high87.9Confident44 Ų4458.8 Ų58.824%0.23528%0.279CS..Hα-helixtrans-67.3-37.7-177.7-49.5-30.1000110.5N3 E9 Q10N3-D6 WeakPolarHBondContact CB-OD2 3.09Å; N3-D6 PolarHBondContact N-OD2 3.27Å; N3-D6 WeakPolarHBondContact O-CB 3.42Å; N3-D6 PolarHBondContact O-N 3.41Å; D6-E9 PolarHBondContact O-N 2.97Å; D6-Q10 WeakPolarHBondContact O-CB 3.46Å; D6-Q10 VanDerWaalsContact O-CG 3.29Å; D6-Q10 WeakPolarHBondContact O-CG 3.25Å; D6-Q10 PolarHBondContact O-N 3.15Å
7I94.8Very high88.1Confident48 Ų4863.6 Ų63.625%0.24630%0.301CS..Hα-helixtrans-63.2-47177.6-62.6175.4000110.5H2 N3 M4 S5 E9 Y11 F35H2-I7 HydrophobicContact CB-CD1 4.15Å; H2-I7 HydrophobicContact CB-CG1 4.08Å; N3-I7 PolarHBondContact O-N 3.41Å; M4-I7 PolarHBondContact O-N 3.2Å; S5-I7 VanDerWaalsContact C-N 3.33Å; S5-I7 PolarHBondContact O-N 3.23Å; I7-E9 VanDerWaalsContact C-N 3.35Å; I7-Y11 WeakPolarHBondContact O-CB 3.32Å; I7-Y11 PolarHBondContact O-N 2.74Å; I7-F35 HydrophobicContact CG2-CD1 3.81Å; I7-F35 HydrophobicContact CG2-CE1 3.59Å; I7-F35 HydrophobicContact CG2-CZ 4.4Å
8I95.8Very high88.4Confident0 Ų068.4 Ų68.40%032%0.324CS..Hα-helixtrans-66.6-39.7178.4-66.9166000110.4M4 S5 Y11 I12 I31 F35 Q41 L42 V45M4-I8 HydrophobicContact CG-CD1 4.01Å; M4-I8 WeakPolarHBondContact O-CG1 3.49Å; M4-I8 PolarHBondContact O-N 3.25Å; M4-I8 VanDerWaalsContact O-N 3.09Å; M4-I8 HydrophobicContact SD-CD1 4.49Å; S5-I8 PolarHBondContact O-N 3.16Å; I8-Y11 WeakPolarHBondContact O-CB 3.39Å; I8-Y11 PolarHBondContact O-N 3.26Å; I8-I12 HydrophobicContact CG2-CD1 3.92Å; I8-I12 WeakPolarHBondContact O-CG1 3.45Å; I8-I12 PolarHBondContact O-N 3.5Å; I8-I31 HydrophobicContact CD1-CG2 4.34Å; I8-I31 HydrophobicContact CG1-CG2 4.27Å; I8-I31 HydrophobicContact CG2-CG2 4.12Å; I8-F35 HydrophobicContact CG1-CD2 3.9Å; I8-F35 HydrophobicContact CG1-CE2 4.28Å; I8-F35 HydrophobicContact CG1-CG 4.29Å; I8-Q41 HydrophobicContact CD1-CB 4.41Å; I8-Q41 HydrophobicContact CD1-CG 3.53Å; I8-L42 HydrophobicContact CG2-CD1 3.81Å; I8-V45 HydrophobicContact CB-CG1 4.42Å; I8-V45 HydrophobicContact CB-CG2 4.1Å; I8-V45 HydrophobicContact CD1-CG2 4.4Å; I8-V45 HydrophobicContact CG2-CB 4.2Å; I8-V45 HydrophobicContact CG2-CG1 3.94Å; I8-V45 HydrophobicContact CG2-CG2 4.12Å
9E95.1Very high88.5Confident21 Ų2167.4 Ų67.410%0.09833%0.325CS..Hα-helixtrans-59.7-51.6175.8-173.9-16814800111.6S5 D6 I7 Y11 I12 K13 V45 R49 F50S5-E9 WeakPolarHBondContact O-CB 3.46Å; S5-E9 PolarHBondContact O-N 3.1Å; D6-E9 PolarHBondContact O-N 2.97Å; I7-E9 VanDerWaalsContact C-N 3.35Å; E9-Y11 PolarHBondContact O-N 3.31Å; E9-I12 PolarHBondContact O-N 3.34Å; E9-K13 HydrophobicContact CG-CD 4.33Å; E9-K13 PolarHBondContact O-N 3.45Å; E9-K13 WeakPolarHBondContact OE1-CE 3.18Å; E9-K13 IonicContact OE1-NZ 2.71Å; E9-K13 PolarHBondContact OE1-NZ 3.48Å; E9-V45 HydrophobicContact CB-CG1 4.25Å; E9-R49 HydrophobicContact CG-CB 4.02Å; E9-R49 HydrophobicContact CG-CG 4.2Å; E9-R49 WeakPolarHBondContact OE2-CD 3.32Å; E9-R49 VanDerWaalsContact OE2-CG 3.28Å; E9-R49 WeakPolarHBondContact OE2-CG 3.4Å; E9-R49 IonicContact OE2-NE 2.92Å; E9-R49 PolarHBondContact OE2-NE 3.35Å; E9-F50 HydrophobicContact CB-CE2 4.23Å; E9-F50 HydrophobicContact CB-CZ 4.41Å; E9-F50 HydrophobicContact CG-CE2 3.86Å; E9-F50 HydrophobicContact CG-CZ 3.8Å
10Q95.1Very high88.4Confident84 Ų8471.6 Ų71.639%0.39335%0.349SS..Hα-helixtrans-62.2-33.2176.5-72.6177.1900112.6H2 D6 R14H2-Q10 PolarHBondContact CE1-NE2 2.9Å; H2-Q10 VanDerWaalsContact CE1-NE2 3.28Å; H2-Q10 PolarHBondContact NE2-NE2 3.14Å; D6-Q10 WeakPolarHBondContact O-CB 3.46Å; D6-Q10 VanDerWaalsContact O-CG 3.29Å; D6-Q10 WeakPolarHBondContact O-CG 3.25Å; D6-Q10 PolarHBondContact O-N 3.15Å; Q10-R14 WeakPolarHBondContact O-CB 3.44Å; Q10-R14 WeakPolarHBondContact O-CG 3.36Å; Q10-R14 PolarHBondContact O-N 3.22Å; Q10-R14 PolarHBondContact O-NE 2.84Å
11Y95.8Very high88.4Confident31 Ų3174 Ų7412%0.12236%0.359CS..Hα-helixtrans-64.1-47.4174.2172.5-100.3000111.4I7 I8 E9 R14 L15 I31 R34 F35I7-Y11 WeakPolarHBondContact O-CB 3.32Å; I7-Y11 PolarHBondContact O-N 2.74Å; I8-Y11 WeakPolarHBondContact O-CB 3.39Å; I8-Y11 PolarHBondContact O-N 3.26Å; E9-Y11 PolarHBondContact O-N 3.31Å; Y11-R14 PolarHBondContact O-N 2.89Å; Y11-L15 HydrophobicContact CD1-CD1 4.14Å; Y11-L15 HydrophobicContact CE1-CD1 3.47Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.47Å; Y11-L15 HydrophobicContact CE1-CG 4.05Å; Y11-L15 HydrophobicContact CE2-CD2 4.36Å; Y11-L15 HydrophobicContact CE2-CG 4.44Å; Y11-L15 WeakPolarHBondContact O-CG 3.33Å; Y11-L15 PolarHBondContact O-N 3.15Å; Y11-I31 HydrophobicContact CD1-CD1 3.78Å; Y11-I31 HydrophobicContact CE1-CD1 3.29Å; Y11-R34 PolarHBondContact OH-NH1 3.33Å; Y11-F35 AromaticContact CD1-CE2 3.89Å; Y11-F35 HydrophobicContact CD1-CE2 3.89Å; Y11-F35 HydrophobicContact CD1-CZ 4.1Å; Y11-F35 HydrophobicContact CD2-CE2 4.35Å; Y11-F35 AromaticContact CD2-CZ 3.79Å; Y11-F35 HydrophobicContact CD2-CZ 3.79Å; Y11-F35 HydrophobicContact CE1-CE2 4.44Å; Y11-F35 AromaticContact CG-CE2 3.82Å; Y11-F35 HydrophobicContact CG-CE2 3.82Å; Y11-F35 AromaticContact CG-CZ 3.53Å; Y11-F35 HydrophobicContact CG-CZ 3.53Å
12I95.7Very high90.8Very high0 Ų066 Ų660%032%0.321CS..Hα-helixtrans-65-42.7178-65.6166.1000110.7I8 E9 R14 L15 F16 V24 I26 L42 V45 I46 F50 I70I8-I12 HydrophobicContact CG2-CD1 3.92Å; I8-I12 WeakPolarHBondContact O-CG1 3.45Å; I8-I12 PolarHBondContact O-N 3.5Å; E9-I12 PolarHBondContact O-N 3.34Å; I12-R14 VanDerWaalsContact C-N 3.32Å; I12-R14 PolarHBondContact O-N 3.06Å; I12-L15 WeakPolarHBondContact O-CB 3.3Å; I12-L15 PolarHBondContact O-N 3.22Å; I12-L15 VanDerWaalsContact O-N 3.15Å; I12-F16 HydrophobicContact CG2-CD2 4.38Å; I12-F16 HydrophobicContact CG2-CE2 3.96Å; I12-F16 VanDerWaalsContact O-CD2 3.29Å; I12-F16 WeakPolarHBondContact O-CD2 3.32Å; I12-F16 PolarHBondContact O-N 3.2Å; I12-V24 HydrophobicContact CG2-CG2 4.23Å; I12-I26 HydrophobicContact CD1-CD1 3.89Å; I12-I26 HydrophobicContact CG1-CD1 4.11Å; I12-L42 HydrophobicContact CD1-CD1 3.95Å; I12-V45 HydrophobicContact CD1-CG1 4.46Å; I12-I46 HydrophobicContact CD1-CD1 3.93Å; I12-F50 HydrophobicContact CB-CE1 4.01Å; I12-F50 HydrophobicContact CB-CE2 4.09Å; I12-F50 HydrophobicContact CB-CZ 3.51Å; I12-F50 HydrophobicContact CD1-CD2 4.21Å; I12-F50 HydrophobicContact CD1-CE2 3.68Å; I12-F50 HydrophobicContact CD1-CZ 4.04Å; I12-F50 HydrophobicContact CG1-CE2 4.49Å; I12-F50 HydrophobicContact CG1-CZ 4.38Å; I12-F50 HydrophobicContact CG2-CD1 4.07Å; I12-F50 HydrophobicContact CG2-CE1 3.4Å; I12-F50 HydrophobicContact CG2-CE2 4.14Å; I12-F50 HydrophobicContact CG2-CZ 3.45Å; I12-F50 VanDerWaalsContact CG2-CZ 3.45Å; I12-I70 HydrophobicContact CD1-CD1 4.08Å; I12-I70 HydrophobicContact CG1-CD1 4.46Å; I12-I70 HydrophobicContact CG2-CD1 3.52Å
13K93.7Very high92.8Very high58 Ų5862.7 Ų62.725%0.25231%0.309SS..Hα-helixtrans-58-43.2174.9-76.1177.3170.3171.30111.5E9 L15 F16 E17 F50 D107E9-K13 HydrophobicContact CG-CD 4.33Å; E9-K13 PolarHBondContact O-N 3.45Å; E9-K13 WeakPolarHBondContact OE1-CE 3.18Å; E9-K13 IonicContact OE1-NZ 2.71Å; E9-K13 PolarHBondContact OE1-NZ 3.48Å; K13-L15 PolarHBondContact O-N 3.43Å; K13-F16 WeakPolarHBondContact O-CB 3.47Å; K13-F16 PolarHBondContact O-N 2.94Å; K13-E17 PolarHBondContact O-N 2.95Å; K13-F50 HydrophobicContact CG-CE1 4.35Å; K13-F50 HydrophobicContact CG-CZ 4.37Å; K13-D107 IonicContact NZ-OD2 3.13Å
14R95.2Very high93.3Very high109 Ų10959 Ų5941%0.41129%0.29SS..Hα-helixtrans-63.1-36.5174.2-80.7-178-73.6164.2-9113.7Q10 Y11 I12 F16 E17 E18Q10-R14 WeakPolarHBondContact O-CB 3.44Å; Q10-R14 WeakPolarHBondContact O-CG 3.36Å; Q10-R14 PolarHBondContact O-N 3.22Å; Q10-R14 PolarHBondContact O-NE 2.84Å; Y11-R14 PolarHBondContact O-N 2.89Å; I12-R14 VanDerWaalsContact C-N 3.32Å; I12-R14 PolarHBondContact O-N 3.06Å; R14-F16 PolarHBondContact O-N 3.1Å; R14-E17 WeakPolarHBondContact O-CB 3.35Å; R14-E17 PolarHBondContact O-N 3.43Å; R14-E17 VanDerWaalsContact O-N 3.08Å; R14-E18 WeakPolarHBondContact O-CB 3.48Å; R14-E18 WeakPolarHBondContact O-CG 3.32Å; R14-E18 PolarHBondContact O-N 2.91Å
15L95.4Very high93.4Very high38 Ų3861.2 Ų61.220%0.19930%0.299CS..Hα-helixtrans-59.3-37.8175.9-71.8175.7000112Y11 I12 K13 S19 V24 I26Y11-L15 HydrophobicContact CD1-CD1 4.14Å; Y11-L15 HydrophobicContact CE1-CD1 3.47Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.47Å; Y11-L15 HydrophobicContact CE1-CG 4.05Å; Y11-L15 HydrophobicContact CE2-CD2 4.36Å; Y11-L15 HydrophobicContact CE2-CG 4.44Å; Y11-L15 WeakPolarHBondContact O-CG 3.33Å; Y11-L15 PolarHBondContact O-N 3.15Å; I12-L15 WeakPolarHBondContact O-CB 3.3Å; I12-L15 PolarHBondContact O-N 3.22Å; I12-L15 VanDerWaalsContact O-N 3.15Å; K13-L15 PolarHBondContact O-N 3.43Å; L15-S19 WeakPolarHBondContact O-CB 3.4Å; L15-S19 PolarHBondContact O-N 3.31Å; L15-S19 VanDerWaalsContact O-N 3.09Å; L15-S19 PolarHBondContact O-OG 3.4Å; L15-S19 VanDerWaalsContact O-OG 3.06Å; L15-V24 HydrophobicContact CB-CB 4.37Å; L15-V24 HydrophobicContact CB-CG1 3.8Å; L15-I26 HydrophobicContact CD1-CG2 3.59Å
16F93Very high93.5Very high3 Ų361.4 Ų61.41%0.01330%0.3CS..Hα-helixtrans-67.8-38.7173.7-72.6-74.6000112.6I12 K13 R14 S19 N20 E21 D22 V24 Y56 I70 K72I12-F16 HydrophobicContact CG2-CD2 4.38Å; I12-F16 HydrophobicContact CG2-CE2 3.96Å; I12-F16 VanDerWaalsContact O-CD2 3.29Å; I12-F16 WeakPolarHBondContact O-CD2 3.32Å; I12-F16 PolarHBondContact O-N 3.2Å; K13-F16 WeakPolarHBondContact O-CB 3.47Å; K13-F16 PolarHBondContact O-N 2.94Å; R14-F16 PolarHBondContact O-N 3.1Å; F16-S19 PolarHBondContact O-OG 3.2Å; F16-N20 PolarHBondContact O-N 3.46Å; F16-N20 VanDerWaalsContact O-N 3.12Å; F16-E21 WeakPolarHBondContact CD1-O 3.2Å; F16-D22 WeakPolarHBondContact CE1-O 3.4Å; F16-V24 HydrophobicContact CB-CG1 4.4Å; F16-V24 HydrophobicContact CD1-CB 4.47Å; F16-V24 HydrophobicContact CD1-CG1 3.54Å; F16-V24 HydrophobicContact CD1-CG2 4.33Å; F16-V24 HydrophobicContact CD2-CG1 4.16Å; F16-V24 HydrophobicContact CD2-CG2 4.15Å; F16-V24 HydrophobicContact CE1-CB 4.24Å; F16-V24 HydrophobicContact CE1-CG1 3.79Å; F16-V24 HydrophobicContact CE1-CG2 3.82Å; F16-V24 HydrophobicContact CE2-CG1 4.39Å; F16-V24 HydrophobicContact CE2-CG2 3.63Å; F16-V24 HydrophobicContact CG-CG1 3.74Å; F16-V24 HydrophobicContact CG-CG2 4.49Å; F16-V24 HydrophobicContact CZ-CB 4.37Å; F16-V24 HydrophobicContact CZ-CG1 4.23Å; F16-V24 HydrophobicContact CZ-CG2 3.46Å; F16-V24 VanDerWaalsContact CZ-CG2 3.46Å; F16-Y56 HydrophobicContact CE2-CD1 4.28Å; F16-Y56 AromaticContact CE2-CE1 3.85Å; F16-Y56 HydrophobicContact CE2-CE1 3.85Å; F16-Y56 HydrophobicContact CZ-CD1 4.21Å; F16-Y56 HydrophobicContact CZ-CE1 4.15Å; F16-I70 WeakPolarHBondContact CE1-O 3.25Å; F16-I70 HydrophobicContact CE2-CB 4.49Å; F16-I70 HydrophobicContact CE2-CG2 4.04Å; F16-I70 HydrophobicContact CZ-CB 3.97Å; F16-I70 HydrophobicContact CZ-CG2 3.69Å; F16-I70 WeakPolarHBondContact CZ-O 3.48Å; F16-K72 HydrophobicContact CD1-CD 4.05Å; F16-K72 HydrophobicContact CD1-CG 4.13Å; F16-K72 HydrophobicContact CE1-CD 4.31Å; F16-K72 HydrophobicContact CE1-CG 3.88Å; F16-K72 HydrophobicContact CG-CD 4.36Å; F16-K72 HydrophobicContact CZ-CG 4.1Å
17E91.2Very high93.5Very high142 Ų14263.2 Ų63.266%0.66431%0.307SS*.Hα-helixtrans-66.7-41.4178.4-67.8168.4-172.700111.6K13 R14K13-E17 PolarHBondContact O-N 2.95Å; R14-E17 WeakPolarHBondContact O-CB 3.35Å; R14-E17 PolarHBondContact O-N 3.43Å; R14-E17 VanDerWaalsContact O-N 3.08Å
18E93.1Very high93.4Very high150 Ų15065.6 Ų65.670%0.70131%0.313SS*.Hα-helixtrans-72.6-37.4-178.9-71.9174.9-176.900112.7R14R14-E18 WeakPolarHBondContact O-CB 3.48Å; R14-E18 WeakPolarHBondContact O-CG 3.32Å; R14-E18 PolarHBondContact O-N 2.91Å
19S89.8Confident93.1Very high49 Ų4968.7 Ų68.734%0.34334%0.339SS..Hα-helixtrans-77.3-25.2177.165.80000112.8L15 F16 E21L15-S19 WeakPolarHBondContact O-CB 3.4Å; L15-S19 PolarHBondContact O-N 3.31Å; L15-S19 VanDerWaalsContact O-N 3.09Å; L15-S19 PolarHBondContact O-OG 3.4Å; L15-S19 VanDerWaalsContact O-OG 3.06Å; F16-S19 PolarHBondContact O-OG 3.2Å; S19-E21 PolarHBondContact O-N 2.88Å; S19-E21 PolarHBondContact OG-N 3.03Å; S19-E21 VanDerWaalsContact OG-N 3.17Å
20N86.8Confident93Very high151 Ų15171.7 Ų71.781%0.80736%0.355SS*.THydrogen-bonded Turntrans52.231.8-166.3-167.254.6000112.2F16F16-N20 PolarHBondContact O-N 3.46Å; F16-N20 VanDerWaalsContact O-N 3.12Å
21E88.5Confident92.9Very high122 Ų12267.9 Ų67.957%0.5734%0.338SS*.SBendtrans-113.4155.9175.5-64.3-177.4174.100109.9F16 S19 V23F16-E21 WeakPolarHBondContact CD1-O 3.2Å; S19-E21 PolarHBondContact O-N 2.88Å; S19-E21 PolarHBondContact OG-N 3.03Å; S19-E21 VanDerWaalsContact OG-N 3.17Å; E21-V23 PolarHBondContact O-N 2.91Å
22D91Very high92.7Very high66 Ų6667 Ų6735%0.35334%0.337SS..SBendtrans-866.1173-73.6-42.8000112.8F16 T71 K72F16-D22 WeakPolarHBondContact CE1-O 3.4Å; D22-T71 CarbonylContact O-C 3.43Å; D22-T71 VanDerWaalsContact O-CA 3.29Å; D22-T71 WeakPolarHBondContact O-CA 3.37Å; D22-K72 HydrophobicContact CB-CB 4.12Å; D22-K72 PolarHBondContact O-N 3.2Å; D22-K72 WeakPolarHBondContact OD1-CD 3.48Å
23V94Very high92.6Very high49 Ų4974.6 Ų74.630%0.29737%0.373SS..EExtended strand (participates in β ladder)trans-131.2135.3179.9-176.80000109.8E21 R69 I70 T71E21-V23 PolarHBondContact O-N 2.91Å; V23-R69 HydrophobicContact CG1-CG 3.47Å; V23-R69 VanDerWaalsContact CG1-CG 3.47Å; V23-I70 WeakPolarHBondContact CA-O 3.31Å; V23-T71 HydrophobicContact CG2-CG2 3.95Å
24V95.4Very high92.7Very high11 Ų1179.6 Ų79.67%0.06739%0.39CS..EExtended strand (participates in β ladder)trans-128.9139168-62.80000110.4I12 L15 F16 R69 I70I12-V24 HydrophobicContact CG2-CG2 4.23Å; L15-V24 HydrophobicContact CB-CB 4.37Å; L15-V24 HydrophobicContact CB-CG1 3.8Å; F16-V24 HydrophobicContact CB-CG1 4.4Å; F16-V24 HydrophobicContact CD1-CB 4.47Å; F16-V24 HydrophobicContact CD1-CG1 3.54Å; F16-V24 HydrophobicContact CD1-CG2 4.33Å; F16-V24 HydrophobicContact CD2-CG1 4.16Å; F16-V24 HydrophobicContact CD2-CG2 4.15Å; F16-V24 HydrophobicContact CE1-CB 4.24Å; F16-V24 HydrophobicContact CE1-CG1 3.79Å; F16-V24 HydrophobicContact CE1-CG2 3.82Å; F16-V24 HydrophobicContact CE2-CG1 4.39Å; F16-V24 HydrophobicContact CE2-CG2 3.63Å; F16-V24 HydrophobicContact CG-CG1 3.74Å; F16-V24 HydrophobicContact CG-CG2 4.49Å; F16-V24 HydrophobicContact CZ-CB 4.37Å; F16-V24 HydrophobicContact CZ-CG1 4.23Å; F16-V24 HydrophobicContact CZ-CG2 3.46Å; F16-V24 VanDerWaalsContact CZ-CG2 3.46Å; V24-R69 WeakPolarHBondContact O-CA 3.42Å; V24-I70 HydrophobicContact CG2-CB 3.82Å; V24-I70 HydrophobicContact CG2-CD1 4.19Å; V24-I70 HydrophobicContact CG2-CG1 4.3Å; V24-I70 PolarHBondContact N-O 3.14Å; V24-I70 PolarHBondContact O-N 2.98Å
25E95.7Very high92.7Very high106 Ų10676.2 Ų76.250%0.49538%0.378SS..EExtended strand (participates in β ladder)trans-110.7126.8173.2-66.9-168.4169.400110.6I68 R69E25-I68 WeakPolarHBondContact CA-O 3.45Å; E25-R69 HydrophobicContact CG-CB 4.16Å; E25-R69 HydrophobicContact CG-CG 4.08Å; E25-R69 IonicContact OE1-CZ 2.68Å; E25-R69 IonicContact OE1-NE 2.78Å; E25-R69 PolarHBondContact OE1-NE 3.39Å; E25-R69 IonicContact OE1-NH2 3.79Å; E25-R69 PolarHBondContact OE1-NH2 3.16Å
26I95.1Very high92.6Very high8 Ų882 Ų824%0.04141%0.409CS..EExtended strand (participates in β ladder)trans-128.5148.3178.663.4179000110.9I12 L15 I31 L42 I46 Y67 I68 I70I12-I26 HydrophobicContact CD1-CD1 3.89Å; I12-I26 HydrophobicContact CG1-CD1 4.11Å; L15-I26 HydrophobicContact CD1-CG2 3.59Å; I26-I31 HydrophobicContact CB-CD1 4.32Å; I26-I31 HydrophobicContact CB-CG1 4.29Å; I26-I31 HydrophobicContact CD1-CG1 4.26Å; I26-I31 HydrophobicContact CG2-CD1 4.42Å; I26-L42 HydrophobicContact CD1-CD1 3.84Å; I26-L42 HydrophobicContact CD1-CD2 3.98Å; I26-L42 HydrophobicContact CD1-CG 4.49Å; I26-I46 HydrophobicContact CD1-CD1 4.46Å; I26-Y67 CarbonylContact O-C 3.59Å; I26-Y67 WeakPolarHBondContact O-CA 3.27Å; I26-I68 HydrophobicContact CG1-CB 3.95Å; I26-I68 PolarHBondContact N-O 2.92Å; I26-I68 PolarHBondContact O-N 2.79Å; I26-I70 HydrophobicContact CD1-CD1 3.91Å
27Q93.5Very high92.6Very high82 Ų8283 Ų8338%0.38342%0.416SS..  trans-101.9130.4171.8-63.4-176.82.500109.8A29 N30 I31Q27-A29 VanDerWaalsContact C-N 3.26Å; Q27-A29 PolarHBondContact O-N 3.13Å; Q27-N30 HydrophobicContact CB-CB 4.15Å; Q27-N30 PolarHBondContact O-N 3.38Å; Q27-N30 VanDerWaalsContact O-N 3.08Å; Q27-N30 PolarHBondContact OE1-ND2 3.03Å; Q27-N30 VanDerWaalsContact OE1-ND2 3.15Å; Q27-I31 PolarHBondContact O-N 3.12Å; Q27-I31 VanDerWaalsContact O-N 3.1Å
28R91.5Very high92.6Very high98 Ų9880.5 Ų80.537%0.3741%0.41SS..Hα-helixtrans-57-40-179-172.9-176.7-66142.74.5112.7A32 P39 L42 N43R28-A32 VanDerWaalsContact O-CB 3.31Å; R28-A32 WeakPolarHBondContact O-CB 3.47Å; R28-A32 PolarHBondContact O-N 3.03Å; R28-P39 WeakPolarHBondContact CD-O 3.31Å; R28-P39 HydrophobicContact CG-CB 3.97Å; R28-L42 HydrophobicContact CB-CD2 4.03Å; R28-L42 HydrophobicContact CG-CB 4.44Å; R28-L42 HydrophobicContact CG-CD2 4.05Å; R28-N43 PolarHBondContact NE-OD1 2.88Å; R28-N43 PolarHBondContact NH2-OD1 3.19Å
29A90.2Very high92.3Very high65 Ų6576.8 Ų76.854%0.53740%0.399SS..Hα-helixtrans-63.6-42.6177.400000111.9Q27 A32 Q33Q27-A29 VanDerWaalsContact C-N 3.26Å; Q27-A29 PolarHBondContact O-N 3.13Å; A29-A32 PolarHBondContact O-N 3.35Å; A29-Q33 WeakPolarHBondContact O-CB 3.43Å; A29-Q33 PolarHBondContact O-N 2.85Å
30N92.7Very high92.4Very high83 Ų8377.9 Ų77.944%0.44441%0.407SS..Hα-helixtrans-67-40.9-178.9-62.9-2000111.6Q27 R34Q27-N30 HydrophobicContact CB-CB 4.15Å; Q27-N30 PolarHBondContact O-N 3.38Å; Q27-N30 VanDerWaalsContact O-N 3.08Å; Q27-N30 PolarHBondContact OE1-ND2 3.03Å; Q27-N30 VanDerWaalsContact OE1-ND2 3.15Å; N30-R34 WeakPolarHBondContact O-CB 3.48Å; N30-R34 PolarHBondContact O-N 3.13Å
31I93.8Very high92.6Very high4 Ų472.5 Ų72.52%0.02138%0.377CS..Hα-helixtrans-63.5-47.9174.4-59.2-61.2000110.5I8 Y11 I26 Q27 Q33 R34 F35 L42I8-I31 HydrophobicContact CD1-CG2 4.34Å; I8-I31 HydrophobicContact CG1-CG2 4.27Å; I8-I31 HydrophobicContact CG2-CG2 4.12Å; Y11-I31 HydrophobicContact CD1-CD1 3.78Å; Y11-I31 HydrophobicContact CE1-CD1 3.29Å; I26-I31 HydrophobicContact CB-CD1 4.32Å; I26-I31 HydrophobicContact CB-CG1 4.29Å; I26-I31 HydrophobicContact CD1-CG1 4.26Å; I26-I31 HydrophobicContact CG2-CD1 4.42Å; Q27-I31 PolarHBondContact O-N 3.12Å; Q27-I31 VanDerWaalsContact O-N 3.1Å; I31-Q33 VanDerWaalsContact C-N 3.33Å; I31-Q33 PolarHBondContact O-N 2.94Å; I31-R34 PolarHBondContact O-N 2.99Å; I31-F35 HydrophobicContact CG2-CD2 3.81Å; I31-F35 HydrophobicContact CG2-CE2 4.18Å; I31-F35 WeakPolarHBondContact O-CD2 2.92Å; I31-F35 PolarHBondContact O-N 3.21Å; I31-F35 VanDerWaalsContact O-N 3.07Å; I31-L42 HydrophobicContact CB-CD2 4.04Å; I31-L42 HydrophobicContact CG1-CD2 3.87Å; I31-L42 HydrophobicContact CG2-CB 4.36Å; I31-L42 HydrophobicContact CG2-CD1 4.25Å; I31-L42 HydrophobicContact CG2-CD2 4.33Å
32A91.8Very high92.9Very high13 Ų1366.8 Ų66.811%0.10735%0.35CS..Hα-helixtrans-57.8-44.6178.900000112.2R28 A29 D36 C37 P39R28-A32 VanDerWaalsContact O-CB 3.31Å; R28-A32 WeakPolarHBondContact O-CB 3.47Å; R28-A32 PolarHBondContact O-N 3.03Å; A29-A32 PolarHBondContact O-N 3.35Å; A32-D36 WeakPolarHBondContact O-CA 3.41Å; A32-D36 PolarHBondContact O-N 3.38Å; A32-C37 WeakPolarHBondContact CA-O 3.49Å; A32-C37 VanDerWaalsContact CB-O 3.24Å; A32-C37 WeakPolarHBondContact CB-O 3.35Å; A32-C37 PolarHBondContact O-N 3.03Å; A32-P39 HydrophobicContact CB-CG 4.21Å
33Q93.6Very high92.9Very high160 Ų16065.9 Ų65.975%0.74835%0.346SS*.Hα-helixtrans-68.4-41.8177-174.1-179.9400112.3A29 I31 F35 D36A29-Q33 WeakPolarHBondContact O-CB 3.43Å; A29-Q33 PolarHBondContact O-N 2.85Å; I31-Q33 VanDerWaalsContact C-N 3.33Å; I31-Q33 PolarHBondContact O-N 2.94Å; Q33-F35 VanDerWaalsContact C-N 3.33Å; Q33-F35 PolarHBondContact O-N 3.36Å; Q33-D36 PolarHBondContact O-N 3.47Å
34R94.9Very high92.8Very high163 Ų16369.3 Ų69.362%0.61535%0.354SS*.Hα-helixtrans-63.7-37.5-178.2-177.6172.1-171.4149.15.2112.7Y11 N30 I31Y11-R34 PolarHBondContact OH-NH1 3.33Å; N30-R34 WeakPolarHBondContact O-CB 3.48Å; N30-R34 PolarHBondContact O-N 3.13Å; I31-R34 PolarHBondContact O-N 2.99Å
35F94.5Very high92.8Very high38 Ų3868.8 Ų68.817%0.16735%0.351CS..THydrogen-bonded Turntrans-106.110.3-176.7-62.9-69.1000113.7M4 I7 I8 Y11 I31 Q33 C37M4-F35 WeakPolarHBondContact CE-O 3.05Å; M4-F35 HydrophobicContact SD-CB 3.82Å; M4-F35 HydrophobicContact SD-CG 4.49Å; I7-F35 HydrophobicContact CG2-CD1 3.81Å; I7-F35 HydrophobicContact CG2-CE1 3.59Å; I7-F35 HydrophobicContact CG2-CZ 4.4Å; I8-F35 HydrophobicContact CG1-CD2 3.9Å; I8-F35 HydrophobicContact CG1-CE2 4.28Å; I8-F35 HydrophobicContact CG1-CG 4.29Å; Y11-F35 AromaticContact CD1-CE2 3.89Å; Y11-F35 HydrophobicContact CD1-CE2 3.89Å; Y11-F35 HydrophobicContact CD1-CZ 4.1Å; Y11-F35 HydrophobicContact CD2-CE2 4.35Å; Y11-F35 AromaticContact CD2-CZ 3.79Å; Y11-F35 HydrophobicContact CD2-CZ 3.79Å; Y11-F35 HydrophobicContact CE1-CE2 4.44Å; Y11-F35 AromaticContact CG-CE2 3.82Å; Y11-F35 HydrophobicContact CG-CE2 3.82Å; Y11-F35 AromaticContact CG-CZ 3.53Å; Y11-F35 HydrophobicContact CG-CZ 3.53Å; I31-F35 HydrophobicContact CG2-CD2 3.81Å; I31-F35 HydrophobicContact CG2-CE2 4.18Å; I31-F35 WeakPolarHBondContact O-CD2 2.92Å; I31-F35 PolarHBondContact O-N 3.21Å; I31-F35 VanDerWaalsContact O-N 3.07Å; Q33-F35 VanDerWaalsContact C-N 3.33Å; Q33-F35 PolarHBondContact O-N 3.36Å; F35-C37 VanDerWaalsContact C-N 3.26Å; F35-C37 PolarHBondContact O-N 3.04Å
36D93.7Very high92.8Very high158 Ų15864.3 Ų64.385%0.84533%0.33SS*.THydrogen-bonded Turntrans45.949.3-177.6-16530.6000112.7A32 Q33A32-D36 WeakPolarHBondContact O-CA 3.41Å; A32-D36 PolarHBondContact O-N 3.38Å; Q33-D36 PolarHBondContact O-N 3.47Å
37C93Very high92.6Very high25 Ų2571.3 Ų71.317%0.16936%0.36CS..  trans-129.6159.3-174.977.60000112.6M4 A32 F35 Q41M4-C37 HydrophobicContact CE-CB 4.41Å; M4-C37 HydrophobicContact CG-CB 4.07Å; M4-C37 HydrophobicContact SD-CB 4.39Å; A32-C37 WeakPolarHBondContact CA-O 3.49Å; A32-C37 VanDerWaalsContact CB-O 3.24Å; A32-C37 WeakPolarHBondContact CB-O 3.35Å; A32-C37 PolarHBondContact O-N 3.03Å; F35-C37 VanDerWaalsContact C-N 3.26Å; F35-C37 PolarHBondContact O-N 3.04Å; C37-Q41 HydrophobicContact CB-CB 4.34Å; C37-Q41 HydrophobicContact CB-CG 4.39Å
38V91.5Very high92.6Very high89 Ų8968 Ų6854%0.53935%0.345SS..  trans-64.5142.7177.7-67.40000112.1S40 Q41V38-S40 VanDerWaalsContact CG2-OG 3.29Å; V38-S40 WeakPolarHBondContact CG2-OG 3.47Å; V38-S40 PolarHBondContact O-N 3.07Å; V38-Q41 HydrophobicContact CG2-CB 4.27Å; V38-Q41 WeakPolarHBondContact O-CB 3.41Å; V38-Q41 PolarHBondContact O-N 3.41Å
39P87.6Confident92.7Very high72 Ų7266.5 Ų66.547%0.46834%0.34SS..Hα-helixtrans-56.2-26.5-179.9-29.535.9000115.3R28 A32 Q41R28-P39 WeakPolarHBondContact CD-O 3.31Å; R28-P39 HydrophobicContact CG-CB 3.97Å; A32-P39 HydrophobicContact CB-CG 4.21Å; P39-Q41 PolarHBondContact O-N 2.92Å
40S90.7Very high92.9Very high72 Ų7263.4 Ų63.450%0.50331%0.314SS..Hα-helixtrans-66.6-24175.451.20000113.1V38 L42 N43 Y44V38-S40 VanDerWaalsContact CG2-OG 3.29Å; V38-S40 WeakPolarHBondContact CG2-OG 3.47Å; V38-S40 PolarHBondContact O-N 3.07Å; S40-L42 VanDerWaalsContact C-N 3.35Å; S40-L42 PolarHBondContact O-N 3.05Å; S40-N43 WeakPolarHBondContact O-CB 3.44Å; S40-N43 PolarHBondContact O-N 3.29Å; S40-N43 VanDerWaalsContact O-N 3.1Å; S40-Y44 PolarHBondContact O-N 2.84Å
41Q92.6Very high92.9Very high38 Ų3860.2 Ų60.218%0.17830%0.298CS..Hα-helixtrans-59.7-45.4178.8-175.862.623.800111.2M4 S5 I8 C37 V38 P39 N43 Y44 V45M4-Q41 HydrophobicContact CB-CG 4.48Å; M4-Q41 HydrophobicContact CG-CG 3.86Å; S5-Q41 PolarHBondContact OG-NE2 3.47Å; I8-Q41 HydrophobicContact CD1-CB 4.41Å; I8-Q41 HydrophobicContact CD1-CG 3.53Å; C37-Q41 HydrophobicContact CB-CB 4.34Å; C37-Q41 HydrophobicContact CB-CG 4.39Å; V38-Q41 HydrophobicContact CG2-CB 4.27Å; V38-Q41 WeakPolarHBondContact O-CB 3.41Å; V38-Q41 PolarHBondContact O-N 3.41Å; P39-Q41 PolarHBondContact O-N 2.92Å; Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 2.74Å; Q41-Y44 WeakPolarHBondContact O-CB 3.44Å; Q41-Y44 PolarHBondContact O-N 3.29Å; Q41-V45 WeakPolarHBondContact O-CG2 3.34Å; Q41-V45 PolarHBondContact O-N 3.49Å; Q41-V45 VanDerWaalsContact O-N 3.08Å
42L93.1Very high92.8Very high2 Ų263.1 Ų63.11%0.0131%0.314CS..Hα-helixtrans-61.8-41174.8178.260.5000111.4I8 I12 I26 R28 I31 S40 Y44 V45 I46 I68I8-L42 HydrophobicContact CG2-CD1 3.81Å; I12-L42 HydrophobicContact CD1-CD1 3.95Å; I26-L42 HydrophobicContact CD1-CD1 3.84Å; I26-L42 HydrophobicContact CD1-CD2 3.98Å; I26-L42 HydrophobicContact CD1-CG 4.49Å; R28-L42 HydrophobicContact CB-CD2 4.03Å; R28-L42 HydrophobicContact CG-CB 4.44Å; R28-L42 HydrophobicContact CG-CD2 4.05Å; I31-L42 HydrophobicContact CB-CD2 4.04Å; I31-L42 HydrophobicContact CG1-CD2 3.87Å; I31-L42 HydrophobicContact CG2-CB 4.36Å; I31-L42 HydrophobicContact CG2-CD1 4.25Å; I31-L42 HydrophobicContact CG2-CD2 4.33Å; S40-L42 VanDerWaalsContact C-N 3.35Å; S40-L42 PolarHBondContact O-N 3.05Å; L42-Y44 VanDerWaalsContact C-N 3.25Å; L42-Y44 PolarHBondContact O-N 2.77Å; L42-V45 PolarHBondContact O-N 2.9Å; L42-I46 HydrophobicContact CD1-CD1 4.09Å; L42-I46 HydrophobicContact CD1-CG1 3.84Å; L42-I46 HydrophobicContact CG-CG1 4.12Å; L42-I46 VanDerWaalsContact O-CG1 3.29Å; L42-I46 WeakPolarHBondContact O-CG1 3.32Å; L42-I46 PolarHBondContact O-N 3.28Å; L42-I68 HydrophobicContact CD2-CD1 3.71Å; L42-I68 HydrophobicContact CG-CD1 4.12Å
43N91.2Very high92.8Very high48 Ų4863.7 Ų63.726%0.25731%0.314SS..Hα-helixtrans-61.6-37.3178.1-66.5-28.9000112.3R28 S40 Q41 K47R28-N43 PolarHBondContact NE-OD1 2.88Å; R28-N43 PolarHBondContact NH2-OD1 3.19Å; S40-N43 WeakPolarHBondContact O-CB 3.44Å; S40-N43 PolarHBondContact O-N 3.29Å; S40-N43 VanDerWaalsContact O-N 3.1Å; Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 2.74Å; N43-K47 VanDerWaalsContact O-CB 3.29Å; N43-K47 WeakPolarHBondContact O-CB 3.48Å; N43-K47 WeakPolarHBondContact O-CG 3.37Å; N43-K47 PolarHBondContact O-N 2.93Å
44Y93.4Very high92.7Very high121 Ų12156.4 Ų56.448%0.47528%0.28SS..Hα-helixtrans-61.8-52.8174.3177.1-97.3000110.3S40 Q41 L42 I46 K47 T48S40-Y44 PolarHBondContact O-N 2.84Å; Q41-Y44 WeakPolarHBondContact O-CB 3.44Å; Q41-Y44 PolarHBondContact O-N 3.29Å; L42-Y44 VanDerWaalsContact C-N 3.25Å; L42-Y44 PolarHBondContact O-N 2.77Å; Y44-I46 VanDerWaalsContact C-N 3.35Å; Y44-I46 PolarHBondContact O-N 3.01Å; Y44-K47 PolarHBondContact O-N 3.29Å; Y44-K47 VanDerWaalsContact O-N 3.12Å; Y44-T48 HydrophobicContact CD2-CG2 4.09Å; Y44-T48 HydrophobicContact CE1-CG2 4.35Å; Y44-T48 HydrophobicContact CE2-CG2 3.76Å; Y44-T48 WeakPolarHBondContact O-CG2 3.49Å; Y44-T48 PolarHBondContact O-N 3.48Å; Y44-T48 PolarHBondContact O-OG1 3.08Å
45V94.8Very high92.5Very high0 Ų048.8 Ų48.80%025%0.252CS..Hα-helixtrans-56.2-47.5179.9174.60000111.9I8 E9 I12 Q41 L42 K47 T48 R49 F50I8-V45 HydrophobicContact CB-CG1 4.42Å; I8-V45 HydrophobicContact CB-CG2 4.1Å; I8-V45 HydrophobicContact CD1-CG2 4.4Å; I8-V45 HydrophobicContact CG2-CB 4.2Å; I8-V45 HydrophobicContact CG2-CG1 3.94Å; I8-V45 HydrophobicContact CG2-CG2 4.12Å; E9-V45 HydrophobicContact CB-CG1 4.25Å; I12-V45 HydrophobicContact CD1-CG1 4.46Å; Q41-V45 WeakPolarHBondContact O-CG2 3.34Å; Q41-V45 PolarHBondContact O-N 3.49Å; Q41-V45 VanDerWaalsContact O-N 3.08Å; L42-V45 PolarHBondContact O-N 2.9Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 PolarHBondContact O-N 2.93Å; V45-T48 PolarHBondContact O-N 3.29Å; V45-R49 HydrophobicContact CG1-CB 4.44Å; V45-R49 HydrophobicContact CG1-CG 4.43Å; V45-R49 VanDerWaalsContact O-CB 3.31Å; V45-R49 WeakPolarHBondContact O-CB 3.3Å; V45-R49 PolarHBondContact O-N 3.48Å; V45-F50 HydrophobicContact CG1-CD2 4Å; V45-F50 HydrophobicContact CG1-CE2 3.69Å
46I94.9Very high92.5Very high12 Ų1248.3 Ų48.36%0.06225%0.25CC..Hα-helixtrans-61.1-44.8178.3-63.9-59.2000111.3I12 I26 L42 Y44 T48 F50 I58 I68 I70I12-I46 HydrophobicContact CD1-CD1 3.93Å; I26-I46 HydrophobicContact CD1-CD1 4.46Å; L42-I46 HydrophobicContact CD1-CD1 4.09Å; L42-I46 HydrophobicContact CD1-CG1 3.84Å; L42-I46 HydrophobicContact CG-CG1 4.12Å; L42-I46 VanDerWaalsContact O-CG1 3.29Å; L42-I46 WeakPolarHBondContact O-CG1 3.32Å; L42-I46 PolarHBondContact O-N 3.28Å; Y44-I46 VanDerWaalsContact C-N 3.35Å; Y44-I46 PolarHBondContact O-N 3.01Å; I46-T48 VanDerWaalsContact C-N 3.27Å; I46-T48 PolarHBondContact O-N 2.87Å; I46-F50 HydrophobicContact CD1-CB 4.25Å; I46-F50 HydrophobicContact CD1-CD2 3.94Å; I46-F50 HydrophobicContact CD1-CG 4.25Å; I46-F50 CarbonylContact O-C 3.6Å; I46-F50 PolarHBondContact O-N 3.32Å; I46-I58 HydrophobicContact CG2-CB 4.41Å; I46-I58 HydrophobicContact CG2-CD1 3.7Å; I46-I58 HydrophobicContact CG2-CG1 3.76Å; I46-I58 HydrophobicContact CG2-CG2 3.8Å; I46-I68 HydrophobicContact CD1-CG2 4.4Å; I46-I68 HydrophobicContact CG1-CD1 4.37Å; I46-I68 HydrophobicContact CG1-CG2 4.45Å; I46-I70 HydrophobicContact CD1-CD1 3.4Å; I46-I70 VanDerWaalsContact CD1-CD1 3.4Å; I46-I70 HydrophobicContact CD1-CG1 4.14Å
47K92.4Very high92.5Very high155 Ų15545.5 Ų45.567%0.67423%0.232SC*.Hα-helixtrans-70.3-18.2-178.1-76179.7175.8-169.50114.7N43 Y44 V45 T51N43-K47 VanDerWaalsContact O-CB 3.29Å; N43-K47 WeakPolarHBondContact O-CB 3.48Å; N43-K47 WeakPolarHBondContact O-CG 3.37Å; N43-K47 PolarHBondContact O-N 2.93Å; Y44-K47 PolarHBondContact O-N 3.29Å; Y44-K47 VanDerWaalsContact O-N 3.12Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 PolarHBondContact O-N 2.93Å; K47-T51 WeakPolarHBondContact O-CG2 3.5Å
48T92.3Very high92.5Very high11 Ų1147.2 Ų47.27%0.06724%0.238CC..Hα-helixtrans-116-22.4-17459.30000114Y44 V45 I46 H54Y44-T48 HydrophobicContact CD2-CG2 4.09Å; Y44-T48 HydrophobicContact CE1-CG2 4.35Å; Y44-T48 HydrophobicContact CE2-CG2 3.76Å; Y44-T48 WeakPolarHBondContact O-CG2 3.49Å; Y44-T48 PolarHBondContact O-N 3.48Å; Y44-T48 PolarHBondContact O-OG1 3.08Å; V45-T48 PolarHBondContact O-N 3.29Å; I46-T48 VanDerWaalsContact C-N 3.27Å; I46-T48 PolarHBondContact O-N 2.87Å; T48-H54 PolarHBondContact O-CE1 3.29Å
49R93.5Very high92.7Very high68 Ų6846.8 Ų46.826%0.25723%0.23SC..Hα-helixtrans-120.7-26.5-174.6-56.2-60.9-172.4-135.44114.2E9 V45 H54E9-R49 HydrophobicContact CG-CB 4.02Å; E9-R49 HydrophobicContact CG-CG 4.2Å; E9-R49 WeakPolarHBondContact OE2-CD 3.32Å; E9-R49 VanDerWaalsContact OE2-CG 3.28Å; E9-R49 WeakPolarHBondContact OE2-CG 3.4Å; E9-R49 IonicContact OE2-NE 2.92Å; E9-R49 PolarHBondContact OE2-NE 3.35Å; V45-R49 HydrophobicContact CG1-CB 4.44Å; V45-R49 HydrophobicContact CG1-CG 4.43Å; V45-R49 VanDerWaalsContact O-CB 3.31Å; V45-R49 WeakPolarHBondContact O-CB 3.3Å; V45-R49 PolarHBondContact O-N 3.48Å; R49-H54 WeakPolarHBondContact O-CB 3.49Å
50F94.2Very high92.9Very high0 Ų047.4 Ų47.40%024%0.236CC..SBendtrans-115.458.5-179.2-60.2-86.8000109.5E9 I12 K13 V45 I46 Y56 I58 I70E9-F50 HydrophobicContact CB-CE2 4.23Å; E9-F50 HydrophobicContact CB-CZ 4.41Å; E9-F50 HydrophobicContact CG-CE2 3.86Å; E9-F50 HydrophobicContact CG-CZ 3.8Å; I12-F50 HydrophobicContact CB-CE1 4.01Å; I12-F50 HydrophobicContact CB-CE2 4.09Å; I12-F50 HydrophobicContact CB-CZ 3.51Å; I12-F50 HydrophobicContact CD1-CD2 4.21Å; I12-F50 HydrophobicContact CD1-CE2 3.68Å; I12-F50 HydrophobicContact CD1-CZ 4.04Å; I12-F50 HydrophobicContact CG1-CE2 4.49Å; I12-F50 HydrophobicContact CG1-CZ 4.38Å; I12-F50 HydrophobicContact CG2-CD1 4.07Å; I12-F50 HydrophobicContact CG2-CE1 3.4Å; I12-F50 HydrophobicContact CG2-CE2 4.14Å; I12-F50 HydrophobicContact CG2-CZ 3.45Å; I12-F50 VanDerWaalsContact CG2-CZ 3.45Å; K13-F50 HydrophobicContact CG-CE1 4.35Å; K13-F50 HydrophobicContact CG-CZ 4.37Å; V45-F50 HydrophobicContact CG1-CD2 4Å; V45-F50 HydrophobicContact CG1-CE2 3.69Å; I46-F50 HydrophobicContact CD1-CB 4.25Å; I46-F50 HydrophobicContact CD1-CD2 3.94Å; I46-F50 HydrophobicContact CD1-CG 4.25Å; I46-F50 CarbonylContact O-C 3.6Å; I46-F50 PolarHBondContact O-N 3.32Å; F50-Y56 HydrophobicContact CB-CD2 4.27Å; F50-Y56 HydrophobicContact CB-CG 4.21Å; F50-Y56 AromaticContact CD1-CD1 3.91Å; F50-Y56 HydrophobicContact CD1-CD1 3.91Å; F50-Y56 AromaticContact CD1-CD2 3.93Å; F50-Y56 HydrophobicContact CD1-CD2 3.93Å; F50-Y56 AromaticContact CD1-CE1 3.88Å; F50-Y56 HydrophobicContact CD1-CE1 3.88Å; F50-Y56 AromaticContact CD1-CE2 3.91Å; F50-Y56 HydrophobicContact CD1-CE2 3.91Å; F50-Y56 AromaticContact CD1-CG 3.93Å; F50-Y56 HydrophobicContact CD1-CG 3.93Å; F50-Y56 AromaticContact CD1-CZ 3.89Å; F50-Y56 HydrophobicContact CE1-CE1 4.19Å; F50-Y56 HydrophobicContact CE1-CE2 4.37Å; F50-I58 HydrophobicContact CB-CD1 3.93Å; F50-I58 WeakPolarHBondContact O-CD1 3.49Å; F50-I58 WeakPolarHBondContact O-CG1 3.27Å; F50-I70 HydrophobicContact CB-CG2 4.22Å; F50-I70 HydrophobicContact CD1-CG2 3.94Å; F50-I70 HydrophobicContact CG-CG2 4.36Å
51T93.1Very high93Very high15 Ų1549.7 Ų49.79%0.09224%0.237CC..SBendtrans-103.8166.7-179.978.40000111.1K47 E53 H54 G55 Y56 Y100K47-T51 WeakPolarHBondContact O-CG2 3.5Å; T51-E53 WeakPolarHBondContact CB-OE2 3.19Å; T51-E53 PolarHBondContact O-N 3.45Å; T51-E53 PolarHBondContact OG1-N 2.88Å; T51-E53 PolarHBondContact OG1-OE2 2.98Å; T51-H54 CarbonylContact O-C 3.37Å; T51-H54 WeakPolarHBondContact O-CA 3.45Å; T51-H54 PolarHBondContact O-N 3.4Å; T51-H54 PolarHBondContact OG1-N 3.14Å; T51-H54 PolarHBondContact OG1-ND1 3.42Å; T51-G55 PolarHBondContact O-N 2.98Å; T51-G55 VanDerWaalsContact O-N 3.17Å; T51-Y56 CarbonylContact C-O 3.46Å; T51-Y56 PolarHBondContact O-N 2.96Å; T51-Y100 HydrophobicContact CG2-CD2 4.41Å
52N91.9Very high92.8Very high66 Ų6659.1 Ų59.135%0.35327%0.271SS..G310 helixtrans-57.4-36.4175.2-75.4-37.9000111.5H54 G55 Y56 H84 L88N52-H54 VanDerWaalsContact C-N 3.3Å; N52-H54 PolarHBondContact O-N 3.18Å; N52-G55 WeakPolarHBondContact O-CA 3.27Å; N52-G55 PolarHBondContact O-N 3.14Å; N52-Y56 WeakPolarHBondContact CA-O 3.29Å; N52-Y56 PolarHBondContact N-O 3.44Å; N52-Y56 VanDerWaalsContact N-O 3.08Å; N52-Y56 PolarHBondContact OD1-O 2.6Å; N52-Y56 VanDerWaalsContact OD1-O 3.07Å; N52-H84 PolarHBondContact O-NE2 3.43Å; N52-L88 HydrophobicContact CB-CD1 3.71Å; N52-L88 HydrophobicContact CB-CD2 3.86Å; N52-L88 HydrophobicContact CB-CG 4.45Å
53E92.3Very high92.4Very high24 Ų2462 Ų6211%0.11230%0.302CS..G310 helixtrans-65.1-32176.3-57.881.3179.800112T51 G55 Y81 L85 L88 I101T51-E53 WeakPolarHBondContact CB-OE2 3.19Å; T51-E53 PolarHBondContact O-N 3.45Å; T51-E53 PolarHBondContact OG1-N 2.88Å; T51-E53 PolarHBondContact OG1-OE2 2.98Å; E53-G55 VanDerWaalsContact C-N 3.26Å; E53-G55 PolarHBondContact O-N 3.39Å; E53-Y81 PolarHBondContact O-OH 3.01Å; E53-L85 WeakPolarHBondContact O-CD2 3.41Å; E53-L88 HydrophobicContact CG-CD1 4.33Å; E53-I101 HydrophobicContact CB-CG1 3.92Å; E53-I101 HydrophobicContact CG-CD1 4.5Å; E53-I101 HydrophobicContact CG-CG1 3.63Å
54H91.8Very high92Very high7 Ų764 Ų643%0.03233%0.333CS..G310 helixtrans-83.5-1.4172.3-63.786.5000112.9T48 R49 T51 N52 Y56 Y100 D107T48-H54 PolarHBondContact O-CE1 3.29Å; R49-H54 WeakPolarHBondContact O-CB 3.49Å; T51-H54 CarbonylContact O-C 3.37Å; T51-H54 WeakPolarHBondContact O-CA 3.45Å; T51-H54 PolarHBondContact O-N 3.4Å; T51-H54 PolarHBondContact OG1-N 3.14Å; T51-H54 PolarHBondContact OG1-ND1 3.42Å; N52-H54 VanDerWaalsContact C-N 3.3Å; N52-H54 PolarHBondContact O-N 3.18Å; H54-Y56 HydrophobicContact CB-CD2 3.83Å; H54-Y56 HydrophobicContact CB-CE2 4.01Å; H54-Y56 WeakPolarHBondContact O-CE2 3.49Å; H54-Y100 AromaticContact CE1-CD1 3.93Å; H54-D107 IonicContact CD2-OD2 3.86Å
55G90.5Very high91.5Very high4 Ų460.9 Ų60.94%0.04134%0.338CS..THydrogen-bonded Turntrans87.830-179.700000114.4T51 N52 E53 I73T51-G55 PolarHBondContact O-N 2.98Å; T51-G55 VanDerWaalsContact O-N 3.17Å; N52-G55 WeakPolarHBondContact O-CA 3.27Å; N52-G55 PolarHBondContact O-N 3.14Å; E53-G55 VanDerWaalsContact C-N 3.26Å; E53-G55 PolarHBondContact O-N 3.39Å; G55-I73 PolarHBondContact O-N 2.97Å
56Y93.9Very high91.4Very high27 Ų2762 Ų6211%0.10635%0.349CS..EExtended strand (participates in β ladder)trans-125.4139176.6-56.8-86000112.2F16 F50 T51 N52 H54 I70 T71 K72F16-Y56 HydrophobicContact CE2-CD1 4.28Å; F16-Y56 AromaticContact CE2-CE1 3.85Å; F16-Y56 HydrophobicContact CE2-CE1 3.85Å; F16-Y56 HydrophobicContact CZ-CD1 4.21Å; F16-Y56 HydrophobicContact CZ-CE1 4.15Å; F50-Y56 HydrophobicContact CB-CD2 4.27Å; F50-Y56 HydrophobicContact CB-CG 4.21Å; F50-Y56 AromaticContact CD1-CD1 3.91Å; F50-Y56 HydrophobicContact CD1-CD1 3.91Å; F50-Y56 AromaticContact CD1-CD2 3.93Å; F50-Y56 HydrophobicContact CD1-CD2 3.93Å; F50-Y56 AromaticContact CD1-CE1 3.88Å; F50-Y56 HydrophobicContact CD1-CE1 3.88Å; F50-Y56 AromaticContact CD1-CE2 3.91Å; F50-Y56 HydrophobicContact CD1-CE2 3.91Å; F50-Y56 AromaticContact CD1-CG 3.93Å; F50-Y56 HydrophobicContact CD1-CG 3.93Å; F50-Y56 AromaticContact CD1-CZ 3.89Å; F50-Y56 HydrophobicContact CE1-CE1 4.19Å; F50-Y56 HydrophobicContact CE1-CE2 4.37Å; T51-Y56 CarbonylContact C-O 3.46Å; T51-Y56 PolarHBondContact O-N 2.96Å; N52-Y56 WeakPolarHBondContact CA-O 3.29Å; N52-Y56 PolarHBondContact N-O 3.44Å; N52-Y56 VanDerWaalsContact N-O 3.08Å; N52-Y56 PolarHBondContact OD1-O 2.6Å; N52-Y56 VanDerWaalsContact OD1-O 3.07Å; H54-Y56 HydrophobicContact CB-CD2 3.83Å; H54-Y56 HydrophobicContact CB-CE2 4.01Å; H54-Y56 WeakPolarHBondContact O-CE2 3.49Å; Y56-I70 HydrophobicContact CD1-CG2 3.83Å; Y56-I70 HydrophobicContact CG-CG2 4.29Å; Y56-T71 CarbonylContact C-O 3.56Å; Y56-T71 VanDerWaalsContact CA-O 3.26Å; Y56-T71 WeakPolarHBondContact CA-O 3.05Å; Y56-K72 HydrophobicContact CD1-CG 4.07Å; Y56-K72 HydrophobicContact CE1-CG 3.75Å
57E93.2Very high91.4Very high100 Ų10063.9 Ų63.947%0.46736%0.356SS..EExtended strand (participates in β ladder)trans-101.6139.1167.4-177.8171.9-147.900110I70 T71 I73E57-I70 WeakPolarHBondContact O-CA 3.5Å; E57-T71 PolarHBondContact N-O 3.3Å; E57-T71 PolarHBondContact O-N 3.2Å; E57-I73 HydrophobicContact CB-CD1 4.39Å; E57-I73 HydrophobicContact CB-CG1 4.23Å
58I94.4Very high91.5Very high61 Ų6156.8 Ų56.831%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-120122-176-57.5-63.7000110.7I46 F50 I68 R69 I70I46-I58 HydrophobicContact CG2-CB 4.41Å; I46-I58 HydrophobicContact CG2-CD1 3.7Å; I46-I58 HydrophobicContact CG2-CG1 3.76Å; I46-I58 HydrophobicContact CG2-CG2 3.8Å; F50-I58 HydrophobicContact CB-CD1 3.93Å; F50-I58 WeakPolarHBondContact O-CD1 3.49Å; F50-I58 WeakPolarHBondContact O-CG1 3.27Å; I58-I68 HydrophobicContact CG2-CG2 4.04Å; I58-R69 WeakPolarHBondContact CA-O 3.35Å; I58-I70 HydrophobicContact CD1-CB 4.03Å; I58-I70 HydrophobicContact CD1-CG1 3.75Å; I58-I70 HydrophobicContact CD1-CG2 3.7Å
59E94.4Very high91.7Very high80 Ų8059.7 Ų59.737%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-109.1141.8165.9-55.2-179.9157.200110I68 R69E59-I68 WeakPolarHBondContact O-CA 3.39Å; E59-R69 HydrophobicContact CB-CB 4.23Å; E59-R69 PolarHBondContact N-O 3.26Å; E59-R69 PolarHBondContact O-N 3.21Å; E59-R69 WeakPolarHBondContact OE2-CD 3.5Å; E59-R69 IonicContact OE2-CZ 3.81Å; E59-R69 IonicContact OE2-NE 3.86Å; E59-R69 IonicContact OE2-NH1 3.3Å; E59-R69 PolarHBondContact OE2-NH1 3.47Å
60S92.4Very high91.8Very high84 Ų8456.5 Ų56.559%0.58732%0.323SS*.EExtended strand (participates in β ladder)trans-132131.1174.274.70000111.7Y67S60-Y67 WeakPolarHBondContact CA-O 3.38Å
61K92.5Very high91.8Very high121 Ų12158 Ų5853%0.52633%0.332SS..  trans-111.4127.7174.8-175.2179.2-179.7179.90109.9G66 Y67K61-G66 CarbonylContact O-C 3.51Å; K61-G66 WeakPolarHBondContact O-CA 3.29Å; K61-Y67 HydrophobicContact CB-CD1 3.96Å; K61-Y67 HydrophobicContact CB-CE1 3.72Å; K61-Y67 HydrophobicContact CB-CE2 4.44Å; K61-Y67 HydrophobicContact CB-CG 4.43Å; K61-Y67 HydrophobicContact CD-CD1 4.02Å; K61-Y67 HydrophobicContact CD-CE1 3.4Å; K61-Y67 VanDerWaalsContact CD-CE1 3.4Å; K61-Y67 HydrophobicContact CG-CE1 4.2Å; K61-Y67 PolarHBondContact N-O 2.91Å; K61-Y67 PolarHBondContact O-N 3.45Å
62R87.5Confident91.7Very high236 Ų23660.6 Ų60.689%0.89134%0.342SS*.  trans-94.4156.6174.7-62.5-175.3-178.5-178.31.2111
63G85.8Confident91.4Very high63 Ų6359.4 Ų59.465%0.64934%0.335SS*.SBendtrans111.7-172.117800000113.5G65 G66G63-G65 PolarHBondContact O-N 3.44Å; G63-G66 PolarHBondContact O-N 2.55Å
64G82.5Confident90.2Very high88 Ų8864 Ų6491%0.90736%0.357SS*.THydrogen-bonded Turntrans-59.8124.6173.300000110.4
65G83.9Confident88.9Confident57 Ų5765.5 Ų65.559%0.58837%0.365SS*.THydrogen-bonded Turntrans74.124.4-17300000114.6G63G63-G65 PolarHBondContact O-N 3.44Å
66G91.7Very high87.8Confident22 Ų2274 Ų7423%0.22740%0.401CS..  trans-59142.517500000112.9K61 G63K61-G66 CarbonylContact O-C 3.51Å; K61-G66 WeakPolarHBondContact O-CA 3.29Å; G63-G66 PolarHBondContact O-N 2.55Å
67Y94.5Very high87.4Confident52 Ų5277.4 Ų77.420%0.20442%0.421CS..  trans-135.7161.6-178.964-96.2000111I26 S60 K61 R69I26-Y67 CarbonylContact O-C 3.59Å; I26-Y67 WeakPolarHBondContact O-CA 3.27Å; S60-Y67 WeakPolarHBondContact CA-O 3.38Å; K61-Y67 HydrophobicContact CB-CD1 3.96Å; K61-Y67 HydrophobicContact CB-CE1 3.72Å; K61-Y67 HydrophobicContact CB-CE2 4.44Å; K61-Y67 HydrophobicContact CB-CG 4.43Å; K61-Y67 HydrophobicContact CD-CD1 4.02Å; K61-Y67 HydrophobicContact CD-CE1 3.4Å; K61-Y67 VanDerWaalsContact CD-CE1 3.4Å; K61-Y67 HydrophobicContact CG-CE1 4.2Å; K61-Y67 PolarHBondContact N-O 2.91Å; K61-Y67 PolarHBondContact O-N 3.45Å; Y67-R69 HydrophobicContact CD2-CB 3.89Å; Y67-R69 HydrophobicContact CE2-CB 3.76Å
68I95.3Very high87.2Confident7 Ų774.4 Ų74.44%0.03641%0.413CS..EExtended strand (participates in β ladder)trans-112.1120.9162.9-57.4176.6000105.7E25 I26 L42 I46 I58 E59 I70E25-I68 WeakPolarHBondContact CA-O 3.45Å; I26-I68 HydrophobicContact CG1-CB 3.95Å; I26-I68 PolarHBondContact N-O 2.92Å; I26-I68 PolarHBondContact O-N 2.79Å; L42-I68 HydrophobicContact CD2-CD1 3.71Å; L42-I68 HydrophobicContact CG-CD1 4.12Å; I46-I68 HydrophobicContact CD1-CG2 4.4Å; I46-I68 HydrophobicContact CG1-CD1 4.37Å; I46-I68 HydrophobicContact CG1-CG2 4.45Å; I58-I68 HydrophobicContact CG2-CG2 4.04Å; E59-I68 WeakPolarHBondContact O-CA 3.39Å; I68-I70 HydrophobicContact CG2-CG1 4.03Å
69R96.1Very high87.1Confident72 Ų7274.2 Ų74.227%0.27242%0.415SS..EExtended strand (participates in β ladder)trans-102.7126.1173.5-178.8-176-64.7163.8-13.6107.7V23 V24 E25 I58 E59 Y67V23-R69 HydrophobicContact CG1-CG 3.47Å; V23-R69 VanDerWaalsContact CG1-CG 3.47Å; V24-R69 WeakPolarHBondContact O-CA 3.42Å; E25-R69 HydrophobicContact CG-CB 4.16Å; E25-R69 HydrophobicContact CG-CG 4.08Å; E25-R69 IonicContact OE1-CZ 2.68Å; E25-R69 IonicContact OE1-NE 2.78Å; E25-R69 PolarHBondContact OE1-NE 3.39Å; E25-R69 IonicContact OE1-NH2 3.79Å; E25-R69 PolarHBondContact OE1-NH2 3.16Å; I58-R69 WeakPolarHBondContact CA-O 3.35Å; E59-R69 HydrophobicContact CB-CB 4.23Å; E59-R69 PolarHBondContact N-O 3.26Å; E59-R69 PolarHBondContact O-N 3.21Å; E59-R69 WeakPolarHBondContact OE2-CD 3.5Å; E59-R69 IonicContact OE2-CZ 3.81Å; E59-R69 IonicContact OE2-NE 3.86Å; E59-R69 IonicContact OE2-NH1 3.3Å; E59-R69 PolarHBondContact OE2-NH1 3.47Å; Y67-R69 HydrophobicContact CD2-CB 3.89Å; Y67-R69 HydrophobicContact CE2-CB 3.76Å
70I96.4Very high86.9Confident0 Ų071.1 Ų71.10%041%0.405CS..EExtended strand (participates in β ladder)trans-115.3118.9-179.1-48.1173.9000106.1I12 F16 V23 V24 I26 I46 F50 Y56 E57 I58 I68I12-I70 HydrophobicContact CD1-CD1 4.08Å; I12-I70 HydrophobicContact CG1-CD1 4.46Å; I12-I70 HydrophobicContact CG2-CD1 3.52Å; F16-I70 WeakPolarHBondContact CE1-O 3.25Å; F16-I70 HydrophobicContact CE2-CB 4.49Å; F16-I70 HydrophobicContact CE2-CG2 4.04Å; F16-I70 HydrophobicContact CZ-CB 3.97Å; F16-I70 HydrophobicContact CZ-CG2 3.69Å; F16-I70 WeakPolarHBondContact CZ-O 3.48Å; V23-I70 WeakPolarHBondContact CA-O 3.31Å; V24-I70 HydrophobicContact CG2-CB 3.82Å; V24-I70 HydrophobicContact CG2-CD1 4.19Å; V24-I70 HydrophobicContact CG2-CG1 4.3Å; V24-I70 PolarHBondContact N-O 3.14Å; V24-I70 PolarHBondContact O-N 2.98Å; I26-I70 HydrophobicContact CD1-CD1 3.91Å; I46-I70 HydrophobicContact CD1-CD1 3.4Å; I46-I70 VanDerWaalsContact CD1-CD1 3.4Å; I46-I70 HydrophobicContact CD1-CG1 4.14Å; F50-I70 HydrophobicContact CB-CG2 4.22Å; F50-I70 HydrophobicContact CD1-CG2 3.94Å; F50-I70 HydrophobicContact CG-CG2 4.36Å; Y56-I70 HydrophobicContact CD1-CG2 3.83Å; Y56-I70 HydrophobicContact CG-CG2 4.29Å; E57-I70 WeakPolarHBondContact O-CA 3.5Å; I58-I70 HydrophobicContact CD1-CB 4.03Å; I58-I70 HydrophobicContact CD1-CG1 3.75Å; I58-I70 HydrophobicContact CD1-CG2 3.7Å; I68-I70 HydrophobicContact CG2-CG1 4.03Å
71T94.7Very high86.8Confident31 Ų3167.2 Ų67.219%0.1938%0.377CS..EExtended strand (participates in β ladder)trans-112.5125.1-179-57.20000108.6D22 V23 Y56 E57 I73D22-T71 CarbonylContact O-C 3.43Å; D22-T71 VanDerWaalsContact O-CA 3.29Å; D22-T71 WeakPolarHBondContact O-CA 3.37Å; V23-T71 HydrophobicContact CG2-CG2 3.95Å; Y56-T71 CarbonylContact C-O 3.56Å; Y56-T71 VanDerWaalsContact CA-O 3.26Å; Y56-T71 WeakPolarHBondContact CA-O 3.05Å; E57-T71 PolarHBondContact N-O 3.3Å; E57-T71 PolarHBondContact O-N 3.2Å; T71-I73 PolarHBondContact O-N 3.44Å
72K90.7Very high86.9Confident70 Ų7061.6 Ų61.630%0.30435%0.353SS..EExtended strand (participates in β ladder)trans-66.2127.5165.9-75175.4179.81710108F16 D22 Y56 E74F16-K72 HydrophobicContact CD1-CD 4.05Å; F16-K72 HydrophobicContact CD1-CG 4.13Å; F16-K72 HydrophobicContact CE1-CD 4.31Å; F16-K72 HydrophobicContact CE1-CG 3.88Å; F16-K72 HydrophobicContact CG-CD 4.36Å; F16-K72 HydrophobicContact CZ-CG 4.1Å; D22-K72 HydrophobicContact CB-CB 4.12Å; D22-K72 PolarHBondContact O-N 3.2Å; D22-K72 WeakPolarHBondContact OD1-CD 3.48Å; Y56-K72 HydrophobicContact CD1-CG 4.07Å; Y56-K72 HydrophobicContact CE1-CG 3.75Å; K72-E74 PolarHBondContact O-N 3.49Å
73I84.7Confident87.1Confident42 Ų4254.2 Ų54.222%0.21533%0.331CS..  trans-75110.8172.5-58.4175.9000105.9G55 E57 T71 N75 H84G55-I73 PolarHBondContact O-N 2.97Å; E57-I73 HydrophobicContact CB-CD1 4.39Å; E57-I73 HydrophobicContact CB-CG1 4.23Å; T71-I73 PolarHBondContact O-N 3.44Å; I73-N75 VanDerWaalsContact C-N 3.32Å; I73-N75 PolarHBondContact O-N 3.11Å; I73-H84 WeakPolarHBondContact CD1-CE1 3.41Å; I73-H84 WeakPolarHBondContact CD1-NE2 3.22Å
74E67Low87.4Confident120 Ų12052.3 Ų52.356%0.56131%0.305SS*.  trans-56.892.9179.6-84.3-164.6-146.900110.5K72 K76K72-E74 PolarHBondContact O-N 3.49Å; E74-K76 WeakPolarHBondContact OE2-CE 3.49Å; E74-K76 IonicContact OE2-NZ 3.72Å; E74-K76 PolarHBondContact OE2-NZ 3.35Å
75N64.2Low88Confident38 Ų3848.1 Ų48.120%0.20326%0.262CS..  trans-121.186.6164.1-71.7-48.5000105.5I73 D77 G80 Y81 H84I73-N75 VanDerWaalsContact C-N 3.32Å; I73-N75 PolarHBondContact O-N 3.11Å; N75-D77 PolarHBondContact O-N 3.14Å; N75-G80 WeakPolarHBondContact OD1-CA 3.35Å; N75-G80 PolarHBondContact OD1-O 2.88Å; N75-Y81 VanDerWaalsContact CB-N 3.3Å; N75-Y81 VanDerWaalsContact CG-CA 3.5Å; N75-Y81 VanDerWaalsContact CG-N 3.34Å; N75-H84 WeakPolarHBondContact ND2-CB 3.48Å
76K68.3Low88.5Confident184 Ų18447.7 Ų47.780%0.825%0.246SC*.  trans-61.7-16-173.6-65.6-174.7-177.8173.10112.6E74E74-K76 WeakPolarHBondContact OE2-CE 3.49Å; E74-K76 IonicContact OE2-NZ 3.72Å; E74-K76 PolarHBondContact OE2-NZ 3.35Å
77D85.8Confident88.6Confident97 Ų9754.2 Ų54.252%0.51927%0.271SS..SBendtrans-137.1171.9176.861.722000112.5N75 T79 G80 Y81N75-D77 PolarHBondContact O-N 3.14Å; D77-T79 PolarHBondContact O-N 2.91Å; D77-T79 PolarHBondContact OD1-N 3.34Å; D77-G80 PolarHBondContact O-N 3.47Å; D77-G80 PolarHBondContact OD1-N 2.91Å; D77-Y81 PolarHBondContact O-N 3.22Å
78A88.8Confident88.5Confident38 Ų3854.5 Ų54.531%0.31428%0.275SS..Hα-helixtrans-56.7-37.817600000112.1Y81 I82 L110A78-Y81 PolarHBondContact O-N 3.22Å; A78-I82 WeakPolarHBondContact O-CB 3.46Å; A78-I82 VanDerWaalsContact O-CG1 3.25Å; A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 3.19Å; A78-L110 HydrophobicContact CB-CD1 4.46Å; A78-L110 HydrophobicContact CB-CD2 3.55Å
79T91.3Very high88.6Confident56 Ų5654.4 Ų54.434%0.34428%0.275SS..Hα-helixtrans-67.5-44.8-176.5-63.70000112.7D77 Y81 I82 N83 N151D77-T79 PolarHBondContact O-N 2.91Å; D77-T79 PolarHBondContact OD1-N 3.34Å; T79-Y81 VanDerWaalsContact C-N 3.28Å; T79-Y81 PolarHBondContact O-N 3.12Å; T79-I82 PolarHBondContact O-N 3.18Å; T79-N83 WeakPolarHBondContact O-CB 3.41Å; T79-N83 VanDerWaalsContact O-CG 3.23Å; T79-N83 PolarHBondContact O-N 2.8Å; T79-N83 PolarHBondContact O-ND2 3.01Å; T79-N83 VanDerWaalsContact O-ND2 3.14Å; T79-N151 WeakPolarHBondContact CA-OD1 3.29Å; T79-N151 PolarHBondContact N-OD1 3.02Å; T79-N151 PolarHBondContact OG1-ND2 3.25Å; T79-N151 PolarHBondContact OG1-OD1 3.33Å
80G90.5Very high88.5Confident16 Ų1652.3 Ų52.317%0.16528%0.276CS..Hα-helixtrans-57.6-45.2172.800000111N75 D77 I82 N83 H84N75-G80 WeakPolarHBondContact OD1-CA 3.35Å; N75-G80 PolarHBondContact OD1-O 2.88Å; D77-G80 PolarHBondContact O-N 3.47Å; D77-G80 PolarHBondContact OD1-N 2.91Å; G80-I82 PolarHBondContact O-N 3.42Å; G80-N83 PolarHBondContact O-N 2.88Å; G80-H84 WeakPolarHBondContact O-CB 3.49Å; G80-H84 PolarHBondContact O-N 3.33Å
81Y91.9Very high88.6Confident2 Ų257.5 Ų57.51%0.00831%0.309CS..Hα-helixtrans-66.9-43-176.8177.1-113.4000111.8E53 N75 D77 A78 T79 N83 H84 L85 G104 L105 K108 L110E53-Y81 PolarHBondContact O-OH 3.01Å; N75-Y81 VanDerWaalsContact CB-N 3.3Å; N75-Y81 VanDerWaalsContact CG-CA 3.5Å; N75-Y81 VanDerWaalsContact CG-N 3.34Å; D77-Y81 PolarHBondContact O-N 3.22Å; A78-Y81 PolarHBondContact O-N 3.22Å; T79-Y81 VanDerWaalsContact C-N 3.28Å; T79-Y81 PolarHBondContact O-N 3.12Å; Y81-N83 VanDerWaalsContact C-N 3.34Å; Y81-N83 PolarHBondContact O-N 2.96Å; Y81-H84 WeakPolarHBondContact O-CB 3.48Å; Y81-H84 PolarHBondContact O-N 3.33Å; Y81-L85 HydrophobicContact CD1-CD1 4.01Å; Y81-L85 HydrophobicContact CE1-CD1 3.5Å; Y81-L85 HydrophobicContact CE1-CG 4.19Å; Y81-L85 HydrophobicContact CE2-CD1 4.32Å; Y81-L85 HydrophobicContact CE2-CD2 4.15Å; Y81-L85 HydrophobicContact CE2-CG 4.13Å; Y81-L85 WeakPolarHBondContact O-CG 3.49Å; Y81-L85 PolarHBondContact O-N 2.99Å; Y81-G104 VanDerWaalsContact OH-CA 3.27Å; Y81-G104 WeakPolarHBondContact OH-CA 3.43Å; Y81-G104 PolarHBondContact OH-O 3.05Å; Y81-L105 HydrophobicContact CE1-CD2 4.08Å; Y81-K108 HydrophobicContact CD1-CD 3.59Å; Y81-K108 HydrophobicContact CD2-CD 3.99Å; Y81-K108 HydrophobicContact CE1-CD 3.5Å; Y81-K108 HydrophobicContact CE2-CD 3.95Å; Y81-K108 VanDerWaalsContact CE2-CE 3.47Å; Y81-K108 HydrophobicContact CG-CD 3.81Å; Y81-L110 HydrophobicContact CD1-CD1 3.58Å; Y81-L110 HydrophobicContact CE1-CD1 4Å
82I93.5Very high88.7Confident2 Ų258.9 Ų58.91%0.0132%0.321CS..Hα-helixtrans-61.8-42.3174-69.3-69.1000111.3A78 T79 G80 H84 L85 L86 L105 L110 L147 I150 N151A78-I82 WeakPolarHBondContact O-CB 3.46Å; A78-I82 VanDerWaalsContact O-CG1 3.25Å; A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 3.19Å; T79-I82 PolarHBondContact O-N 3.18Å; G80-I82 PolarHBondContact O-N 3.42Å; I82-H84 VanDerWaalsContact C-N 3.34Å; I82-H84 PolarHBondContact O-N 3.11Å; I82-L85 HydrophobicContact CD1-CD1 4.39Å; I82-L85 PolarHBondContact O-N 3.3Å; I82-L86 HydrophobicContact CG2-CD1 4.2Å; I82-L86 WeakPolarHBondContact O-CG 3.5Å; I82-L86 PolarHBondContact O-N 3.17Å; I82-L105 HydrophobicContact CD1-CD2 3.61Å; I82-L110 HydrophobicContact CD1-CD1 4.37Å; I82-L110 HydrophobicContact CG1-CD1 4.46Å; I82-L147 HydrophobicContact CD1-CB 4.4Å; I82-L147 HydrophobicContact CD1-CD2 3.77Å; I82-L147 HydrophobicContact CG2-CB 4.08Å; I82-I150 HydrophobicContact CD1-CG2 4.37Å; I82-N151 HydrophobicContact CB-CB 4.27Å; I82-N151 HydrophobicContact CG1-CB 4.06Å; I82-N151 HydrophobicContact CG2-CB 4.06Å
83N92.5Very high89Confident81 Ų8155.9 Ų55.943%0.43331%0.308SS..Hα-helixtrans-63.3-40.6176.5-74.8-31.2000112.2T79 G80 Y81 L86 Q87T79-N83 WeakPolarHBondContact O-CB 3.41Å; T79-N83 VanDerWaalsContact O-CG 3.23Å; T79-N83 PolarHBondContact O-N 2.8Å; T79-N83 PolarHBondContact O-ND2 3.01Å; T79-N83 VanDerWaalsContact O-ND2 3.14Å; G80-N83 PolarHBondContact O-N 2.88Å; Y81-N83 VanDerWaalsContact C-N 3.34Å; Y81-N83 PolarHBondContact O-N 2.96Å; N83-L86 WeakPolarHBondContact O-CB 3.45Å; N83-L86 PolarHBondContact O-N 3.45Å; N83-Q87 WeakPolarHBondContact O-CG 3.41Å; N83-Q87 PolarHBondContact O-N 3.41Å; N83-Q87 VanDerWaalsContact O-N 3.07Å
84H92.3Very high89.6Confident24 Ų2455.7 Ų55.711%0.11131%0.31CS..Hα-helixtrans-60.2-48.3172.9171.168.3000111.5N52 I73 N75 G80 Y81 I82 L86 Q87 L88N52-H84 PolarHBondContact O-NE2 3.43Å; I73-H84 WeakPolarHBondContact CD1-CE1 3.41Å; I73-H84 WeakPolarHBondContact CD1-NE2 3.22Å; N75-H84 WeakPolarHBondContact ND2-CB 3.48Å; G80-H84 WeakPolarHBondContact O-CB 3.49Å; G80-H84 PolarHBondContact O-N 3.33Å; Y81-H84 WeakPolarHBondContact O-CB 3.48Å; Y81-H84 PolarHBondContact O-N 3.33Å; I82-H84 VanDerWaalsContact C-N 3.34Å; I82-H84 PolarHBondContact O-N 3.11Å; H84-L86 VanDerWaalsContact C-N 3.28Å; H84-L86 PolarHBondContact O-N 3.49Å; H84-Q87 WeakPolarHBondContact O-CB 3.42Å; H84-Q87 PolarHBondContact O-N 2.97Å; H84-L88 WeakPolarHBondContact NE2-CD1 3.43Å; H84-L88 WeakPolarHBondContact O-CG 3.48Å; H84-L88 PolarHBondContact O-N 3.25Å
85L94.6Very high91.1Very high0 Ų051.9 Ų51.90%029%0.292CS..Hα-helixtrans-58.1-40.6175.4-69.3177.6000112.2E53 Y81 I82 Q87 L88 I89 I101 L105 L147E53-L85 WeakPolarHBondContact O-CD2 3.41Å; Y81-L85 HydrophobicContact CD1-CD1 4.01Å; Y81-L85 HydrophobicContact CE1-CD1 3.5Å; Y81-L85 HydrophobicContact CE1-CG 4.19Å; Y81-L85 HydrophobicContact CE2-CD1 4.32Å; Y81-L85 HydrophobicContact CE2-CD2 4.15Å; Y81-L85 HydrophobicContact CE2-CG 4.13Å; Y81-L85 WeakPolarHBondContact O-CG 3.49Å; Y81-L85 PolarHBondContact O-N 2.99Å; I82-L85 HydrophobicContact CD1-CD1 4.39Å; I82-L85 PolarHBondContact O-N 3.3Å; L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 3.37Å; L85-L88 HydrophobicContact CD2-CD1 4.26Å; L85-L88 PolarHBondContact O-N 3.01Å; L85-I89 WeakPolarHBondContact O-CG1 3.29Å; L85-I89 PolarHBondContact O-N 2.96Å; L85-I89 VanDerWaalsContact O-N 3.08Å; L85-I101 HydrophobicContact CD1-CG2 3.99Å; L85-I101 HydrophobicContact CD2-CG1 4.12Å; L85-I101 HydrophobicContact CD2-CG2 4.24Å; L85-L105 HydrophobicContact CD1-CD2 3.9Å; L85-L105 HydrophobicContact CD1-CG 4.23Å; L85-L147 HydrophobicContact CB-CD1 3.74Å; L85-L147 HydrophobicContact CB-CD2 4.49Å; L85-L147 HydrophobicContact CD1-CD2 3.89Å
86L94.7Very high92.6Very high47 Ų4754.9 Ų54.925%0.24631%0.305CS..Hα-helixtrans-62.8-35175.9-74.7169000112.8I82 N83 H84 K144 L147 P148I82-L86 HydrophobicContact CG2-CD1 4.2Å; I82-L86 WeakPolarHBondContact O-CG 3.5Å; I82-L86 PolarHBondContact O-N 3.17Å; N83-L86 WeakPolarHBondContact O-CB 3.45Å; N83-L86 PolarHBondContact O-N 3.45Å; H84-L86 VanDerWaalsContact C-N 3.28Å; H84-L86 PolarHBondContact O-N 3.49Å; L86-K144 HydrophobicContact CD2-CB 4.38Å; L86-K144 HydrophobicContact CD2-CG 4.18Å; L86-L147 HydrophobicContact CD2-CB 4.1Å; L86-L147 HydrophobicContact CD2-CD1 3.98Å; L86-L147 HydrophobicContact CG-CB 4.32Å; L86-L147 HydrophobicContact CG-CD1 4.13Å; L86-P148 HydrophobicContact CD1-CG 4.24Å
87Q93.1Very high93.9Very high160 Ų16050 Ų5075%0.74829%0.285SS*.Hα-helixtrans-71.3-34.7175-69.9176.4-7.400112.3N83 H84 L85 I89N83-Q87 WeakPolarHBondContact O-CG 3.41Å; N83-Q87 PolarHBondContact O-N 3.41Å; N83-Q87 VanDerWaalsContact O-N 3.07Å; H84-Q87 WeakPolarHBondContact O-CB 3.42Å; H84-Q87 PolarHBondContact O-N 2.97Å; L85-Q87 VanDerWaalsContact C-N 3.3Å; L85-Q87 PolarHBondContact O-N 3.37Å; Q87-I89 VanDerWaalsContact C-N 3.33Å
88L92.6Very high94.5Very high58 Ų5845.3 Ų45.330%0.30426%0.26SS..Hα-helixtrans-67.4-34.1174.7-66.7178.9000112.5N52 E53 H84 L85 G90N52-L88 HydrophobicContact CB-CD1 3.71Å; N52-L88 HydrophobicContact CB-CD2 3.86Å; N52-L88 HydrophobicContact CB-CG 4.45Å; E53-L88 HydrophobicContact CG-CD1 4.33Å; H84-L88 WeakPolarHBondContact NE2-CD1 3.43Å; H84-L88 WeakPolarHBondContact O-CG 3.48Å; H84-L88 PolarHBondContact O-N 3.25Å; L85-L88 HydrophobicContact CD2-CD1 4.26Å; L85-L88 PolarHBondContact O-N 3.01Å; L88-G90 PolarHBondContact O-N 3.37Å
89I96.5Very high94.9Very high4 Ų445.7 Ų45.72%0.02125%0.254CS..  trans-74.3102.8179.4-58.7161.9000109.5L85 Q87 I93 I101 A140 L143 K144 L147L85-I89 WeakPolarHBondContact O-CG1 3.29Å; L85-I89 PolarHBondContact O-N 2.96Å; L85-I89 VanDerWaalsContact O-N 3.08Å; Q87-I89 VanDerWaalsContact C-N 3.33Å; I89-I93 HydrophobicContact CG1-CD1 4.03Å; I89-I101 HydrophobicContact CD1-CD1 3.87Å; I89-I101 HydrophobicContact CG1-CD1 3.61Å; I89-A140 HydrophobicContact CG2-CB 3.67Å; I89-L143 HydrophobicContact CD1-CB 3.73Å; I89-L143 HydrophobicContact CD1-CD1 4.46Å; I89-K144 HydrophobicContact CB-CG 4.28Å; I89-K144 HydrophobicContact CD1-CG 4.49Å; I89-K144 HydrophobicContact CG2-CD 4.11Å; I89-K144 HydrophobicContact CG2-CG 3.92Å; I89-K144 WeakPolarHBondContact O-CE 3.44Å; I89-K144 PolarHBondContact O-NZ 3.03Å; I89-L147 HydrophobicContact CD1-CD1 3.4Å
90G95.2Very high95.2Very high29 Ų2944.8 Ų44.830%0.29924%0.244SC..  trans-70.8-162.517200000114L88 S92 K144L88-G90 PolarHBondContact O-N 3.37Å; G90-S92 PolarHBondContact O-N 3.29Å; G90-K144 PolarHBondContact O-NZ 3.45Å
91P97Very high95.5Very high108 Ų10844.1 Ų44.170%0.70124%0.237SC*.SBendtrans-65.8-17.8173.728-34.8000113.1
92S97.6Very high95.8Very high61 Ų6144 Ų4443%0.42724%0.236SC..  trans-145.4156.8175.362.40000110.1G90 D136G90-S92 PolarHBondContact O-N 3.29Å; S92-D136 WeakPolarHBondContact CA-O 3.5Å
93I98Very high95.9Very high7 Ų745.9 Ų45.94%0.03625%0.246CC..  trans-146.1133.6175.7-167.9169.8000110.8I89 Q97 A98 I101 D136 R139 A140 L143I89-I93 HydrophobicContact CG1-CD1 4.03Å; I93-Q97 HydrophobicContact CD1-CB 3.85Å; I93-Q97 HydrophobicContact CG1-CB 3.56Å; I93-A98 HydrophobicContact CD1-CB 4.41Å; I93-A98 HydrophobicContact CG2-CB 4.45Å; I93-I101 HydrophobicContact CD1-CD1 3.55Å; I93-D136 PolarHBondContact N-O 2.86Å; I93-D136 WeakPolarHBondContact O-CA 3.43Å; I93-D136 WeakPolarHBondContact O-CB 3.49Å; I93-R139 HydrophobicContact CG2-CB 4.08Å; I93-R139 HydrophobicContact CG2-CG 3.68Å; I93-R139 PolarHBondContact O-NH1 2.9Å; I93-A140 HydrophobicContact CB-CB 4.38Å; I93-A140 HydrophobicContact CG2-CB 3.9Å; I93-L143 HydrophobicContact CD1-CD1 4.36Å; I93-L143 HydrophobicContact CG2-CD1 4.18Å
94S96.9Very high96Very high37 Ų3742.1 Ų42.126%0.25923%0.226SC..  trans-67.4157.3176.268.60000111.3Q96 Q97 A98S94-Q96 VanDerWaalsContact C-N 3.26Å; S94-Q96 PolarHBondContact O-N 3.15Å; S94-Q97 PolarHBondContact O-N 3.36Å; S94-Q97 WeakPolarHBondContact OG-CG 3.22Å; S94-Q97 PolarHBondContact OG-N 3.35Å; S94-Q97 PolarHBondContact OG-OE1 3.01Å; S94-A98 WeakPolarHBondContact O-CB 3.4Å; S94-A98 PolarHBondContact O-N 2.71Å
95Q97.6Very high96.1Very high40 Ų4041 Ų4119%0.18722%0.221CC..Hα-helixtrans-57.3-40.5175.1178163.4-36.500112.4A98 Y99 D124 R125Q95-A98 PolarHBondContact O-N 3.02Å; Q95-Y99 HydrophobicContact CG-CD1 4.23Å; Q95-Y99 HydrophobicContact CG-CD2 4.36Å; Q95-Y99 HydrophobicContact CG-CE1 3.9Å; Q95-Y99 HydrophobicContact CG-CE2 4.03Å; Q95-Y99 HydrophobicContact CG-CG 4.46Å; Q95-Y99 PolarHBondContact NE2-OH 3.03Å; Q95-Y99 WeakPolarHBondContact O-CD1 3.35Å; Q95-Y99 PolarHBondContact O-N 2.92Å; Q95-D124 PolarHBondContact NE2-OD2 3.49Å; Q95-R125 VanDerWaalsContact OE1-CB 3.29Å
96Q95.8Very high96.2Very high101 Ų10143.7 Ų43.747%0.47224%0.236SC..Hα-helixtrans-64.3-46.4-178.8-173.362.460.300112.1S94 A98 Y99 Y100S94-Q96 VanDerWaalsContact C-N 3.26Å; S94-Q96 PolarHBondContact O-N 3.15Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.87Å; Q96-Y99 PolarHBondContact O-N 2.84Å; Q96-Y100 HydrophobicContact CG-CD2 4.47Å; Q96-Y100 HydrophobicContact CG-CE1 4.36Å; Q96-Y100 HydrophobicContact CG-CE2 3.81Å; Q96-Y100 PolarHBondContact NE2-OH 3.03Å; Q96-Y100 PolarHBondContact O-N 2.84Å
97Q95.9Very high96Very high81 Ų8145.5 Ų45.538%0.37925%0.245SC..Hα-helixtrans-62.7-42.6176.9-72167.5-57.100111.1I93 S94 Y99 Y100 I101I93-Q97 HydrophobicContact CD1-CB 3.85Å; I93-Q97 HydrophobicContact CG1-CB 3.56Å; S94-Q97 PolarHBondContact O-N 3.36Å; S94-Q97 WeakPolarHBondContact OG-CG 3.22Å; S94-Q97 PolarHBondContact OG-N 3.35Å; S94-Q97 PolarHBondContact OG-OE1 3.01Å; Q97-Y99 VanDerWaalsContact C-N 3.27Å; Q97-Y99 PolarHBondContact O-N 3.38Å; Q97-Y100 WeakPolarHBondContact O-CB 3.26Å; Q97-Y100 PolarHBondContact O-N 3.33Å; Q97-Y100 VanDerWaalsContact O-N 3.15Å; Q97-I101 WeakPolarHBondContact O-CG1 3.2Å; Q97-I101 PolarHBondContact O-N 2.9Å
98A98Very high95.8Very high0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-61.5-36.1175.800000113I93 S94 Q95 Q96 I101 I102 I123 R139 L143I93-A98 HydrophobicContact CD1-CB 4.41Å; I93-A98 HydrophobicContact CG2-CB 4.45Å; S94-A98 WeakPolarHBondContact O-CB 3.4Å; S94-A98 PolarHBondContact O-N 2.71Å; Q95-A98 PolarHBondContact O-N 3.02Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.87Å; A98-I101 WeakPolarHBondContact O-CB 3.47Å; A98-I101 PolarHBondContact O-N 3.21Å; A98-I102 WeakPolarHBondContact O-CG1 3.33Å; A98-I102 PolarHBondContact O-N 2.77Å; A98-I102 VanDerWaalsContact O-N 3.14Å; A98-I123 HydrophobicContact CB-CD1 3.64Å; A98-R139 HydrophobicContact CB-CG 4.06Å; A98-L143 HydrophobicContact CB-CD1 3.68Å
99Y97.8Very high95.8Very high46 Ų4647.3 Ų47.318%0.1825%0.253CS..Hα-helixtrans-67.9-38.5174.5-75.48000111.4Q95 Q96 Q97 I101 I102 D103 Q120 I123 D124Q95-Y99 HydrophobicContact CG-CD1 4.23Å; Q95-Y99 HydrophobicContact CG-CD2 4.36Å; Q95-Y99 HydrophobicContact CG-CE1 3.9Å; Q95-Y99 HydrophobicContact CG-CE2 4.03Å; Q95-Y99 HydrophobicContact CG-CG 4.46Å; Q95-Y99 PolarHBondContact NE2-OH 3.03Å; Q95-Y99 WeakPolarHBondContact O-CD1 3.35Å; Q95-Y99 PolarHBondContact O-N 2.92Å; Q96-Y99 PolarHBondContact O-N 2.84Å; Q97-Y99 VanDerWaalsContact C-N 3.27Å; Q97-Y99 PolarHBondContact O-N 3.38Å; Y99-I101 VanDerWaalsContact C-N 3.28Å; Y99-I101 PolarHBondContact O-N 2.85Å; Y99-I102 HydrophobicContact CD1-CD1 4.25Å; Y99-I102 PolarHBondContact O-N 3.48Å; Y99-I102 VanDerWaalsContact O-N 3.11Å; Y99-D103 VanDerWaalsContact O-CG 3.25Å; Y99-D103 PolarHBondContact O-N 2.81Å; Y99-Q120 HydrophobicContact CD1-CG 4.18Å; Y99-Q120 HydrophobicContact CE1-CB 4.16Å; Y99-Q120 HydrophobicContact CE1-CG 3.92Å; Y99-I123 HydrophobicContact CD1-CD1 4.2Å; Y99-I123 HydrophobicContact CE1-CD1 4.13Å; Y99-I123 HydrophobicContact CE1-CG1 4.09Å; Y99-D124 PolarHBondContact OH-OD2 3.43Å
100Y96.8Very high95.7Very high37 Ų3749.3 Ų49.315%0.14526%0.263CS..Hα-helixtrans-62.9-32.9171.9-61.4-30.9000113.4T51 H54 Q96 Q97 G104T51-Y100 HydrophobicContact CG2-CD2 4.41Å; H54-Y100 AromaticContact CE1-CD1 3.93Å; Q96-Y100 HydrophobicContact CG-CD2 4.47Å; Q96-Y100 HydrophobicContact CG-CE1 4.36Å; Q96-Y100 HydrophobicContact CG-CE2 3.81Å; Q96-Y100 PolarHBondContact NE2-OH 3.03Å; Q96-Y100 PolarHBondContact O-N 2.84Å; Q97-Y100 WeakPolarHBondContact O-CB 3.26Å; Q97-Y100 PolarHBondContact O-N 3.33Å; Q97-Y100 VanDerWaalsContact O-N 3.15Å; Y100-G104 PolarHBondContact O-N 3.07Å
101I97.2Very high95.8Very high1 Ų148.5 Ų48.51%0.00525%0.252CS..Hα-helixtrans-62.9-46.1171.8-66.3-177.9000110.2E53 L85 I89 I93 Q97 A98 Y99 G104 L105 L143 L147E53-I101 HydrophobicContact CB-CG1 3.92Å; E53-I101 HydrophobicContact CG-CD1 4.5Å; E53-I101 HydrophobicContact CG-CG1 3.63Å; L85-I101 HydrophobicContact CD1-CG2 3.99Å; L85-I101 HydrophobicContact CD2-CG1 4.12Å; L85-I101 HydrophobicContact CD2-CG2 4.24Å; I89-I101 HydrophobicContact CD1-CD1 3.87Å; I89-I101 HydrophobicContact CG1-CD1 3.61Å; I93-I101 HydrophobicContact CD1-CD1 3.55Å; Q97-I101 WeakPolarHBondContact O-CG1 3.2Å; Q97-I101 PolarHBondContact O-N 2.9Å; A98-I101 WeakPolarHBondContact O-CB 3.47Å; A98-I101 PolarHBondContact O-N 3.21Å; Y99-I101 VanDerWaalsContact C-N 3.28Å; Y99-I101 PolarHBondContact O-N 2.85Å; I101-G104 PolarHBondContact O-N 3.32Å; I101-L105 HydrophobicContact CG2-CD1 4.15Å; I101-L105 VanDerWaalsContact O-CG 3.27Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 2.8Å; I101-L143 HydrophobicContact CD1-CD1 4.32Å; I101-L147 HydrophobicContact CG2-CD2 4.2Å
102I98Very high95.8Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-64.5-43.7179.5-63.8168.4000111.1A98 Y99 G104 L105 L106 I111 A116 I119 Q120 I123A98-I102 WeakPolarHBondContact O-CG1 3.33Å; A98-I102 PolarHBondContact O-N 2.77Å; A98-I102 VanDerWaalsContact O-N 3.14Å; Y99-I102 HydrophobicContact CD1-CD1 4.25Å; Y99-I102 PolarHBondContact O-N 3.48Å; Y99-I102 VanDerWaalsContact O-N 3.11Å; I102-G104 VanDerWaalsContact C-N 3.34Å; I102-G104 PolarHBondContact O-N 2.76Å; I102-L105 PolarHBondContact O-N 3.24Å; I102-L106 WeakPolarHBondContact O-CB 3.08Å; I102-L106 PolarHBondContact O-N 3.12Å; I102-I111 HydrophobicContact CG2-CD1 4.04Å; I102-A116 HydrophobicContact CG2-CB 3.61Å; I102-I119 HydrophobicContact CD1-CB 4.21Å; I102-I119 HydrophobicContact CD1-CG2 3.63Å; I102-I119 HydrophobicContact CG1-CG2 3.99Å; I102-Q120 HydrophobicContact CD1-CB 4.43Å; I102-Q120 HydrophobicContact CD1-CG 3.56Å; I102-Q120 HydrophobicContact CG2-CG 4.22Å; I102-I123 HydrophobicContact CD1-CD1 3.63Å; I102-I123 HydrophobicContact CD1-CG1 4.44Å
103D96.1Very high95.8Very high42 Ų4250.1 Ų50.123%0.22525%0.246CC..Hα-helixtrans-60.5-44.8176.2-67.7-16.2000110.4Y99 L105 L106 D107Y99-D103 VanDerWaalsContact O-CG 3.25Å; Y99-D103 PolarHBondContact O-N 2.81Å; D103-L105 PolarHBondContact O-N 3.17Å; D103-L106 WeakPolarHBondContact O-CB 3.5Å; D103-L106 PolarHBondContact O-N 2.96Å; D103-D107 WeakPolarHBondContact O-CB 3.29Å; D103-D107 PolarHBondContact O-N 3.08Å
104G93.7Very high95.9Very high1 Ų158.7 Ų58.71%0.0128%0.278CS..Hα-helixtrans-62.9-38176.200000114.2Y81 Y100 I101 I102 K108Y81-G104 VanDerWaalsContact OH-CA 3.27Å; Y81-G104 WeakPolarHBondContact OH-CA 3.43Å; Y81-G104 PolarHBondContact OH-O 3.05Å; Y100-G104 PolarHBondContact O-N 3.07Å; I101-G104 PolarHBondContact O-N 3.32Å; I102-G104 VanDerWaalsContact C-N 3.34Å; I102-G104 PolarHBondContact O-N 2.76Å; G104-K108 WeakPolarHBondContact O-CG 3.41Å; G104-K108 PolarHBondContact O-N 2.89Å; G104-K108 VanDerWaalsContact O-N 3.16Å
105L95.3Very high95.9Very high1 Ų160.4 Ų60.41%0.00528%0.282CS..Hα-helixtrans-64.3-41.9173-69.1166.2000111.7Y81 I82 L85 I101 I102 D103 K108 M109 L110 I111 L147 I150Y81-L105 HydrophobicContact CE1-CD2 4.08Å; I82-L105 HydrophobicContact CD1-CD2 3.61Å; L85-L105 HydrophobicContact CD1-CD2 3.9Å; L85-L105 HydrophobicContact CD1-CG 4.23Å; I101-L105 HydrophobicContact CG2-CD1 4.15Å; I101-L105 VanDerWaalsContact O-CG 3.27Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 2.8Å; I102-L105 PolarHBondContact O-N 3.24Å; D103-L105 PolarHBondContact O-N 3.17Å; L105-K108 PolarHBondContact O-N 2.65Å; L105-M109 PolarHBondContact O-N 2.86Å; L105-L110 HydrophobicContact CD2-CB 4.12Å; L105-L110 HydrophobicContact CD2-CD1 3.86Å; L105-L110 PolarHBondContact O-N 3.08Å; L105-I111 HydrophobicContact CB-CD1 3.67Å; L105-I111 HydrophobicContact CB-CG1 3.78Å; L105-I111 HydrophobicContact CD1-CD1 4.16Å; L105-L147 HydrophobicContact CD1-CD2 3.86Å; L105-L147 HydrophobicContact CD2-CD2 4.1Å; L105-L147 HydrophobicContact CG-CD2 4.46Å; L105-I150 HydrophobicContact CD1-CD1 3.87Å
106L95.3Very high96Very high57 Ų5758.7 Ų58.730%0.29827%0.274SS..Hα-helixtrans-66.5-45.8177.9-177.265.6000111.4I102 D103 K108 M109 I111 E113I102-L106 WeakPolarHBondContact O-CB 3.08Å; I102-L106 PolarHBondContact O-N 3.12Å; D103-L106 WeakPolarHBondContact O-CB 3.5Å; D103-L106 PolarHBondContact O-N 2.96Å; L106-K108 PolarHBondContact O-N 3.31Å; L106-M109 WeakPolarHBondContact O-CA 3.31Å; L106-M109 PolarHBondContact O-N 3.25Å; L106-I111 HydrophobicContact CB-CG1 4.4Å; L106-I111 WeakPolarHBondContact CD1-O 3.38Å; L106-E113 HydrophobicContact CD1-CG 4.2Å
107D91Very high96.1Very high84 Ų8460 Ų6045%0.44928%0.279SS..Hα-helixtrans-57.7-35.1177.2-87.76.9000112.3K13 H54 D103 M109K13-D107 IonicContact NZ-OD2 3.13Å; H54-D107 IonicContact CD2-OD2 3.86Å; D103-D107 WeakPolarHBondContact O-CB 3.29Å; D103-D107 PolarHBondContact O-N 3.08Å; D107-M109 VanDerWaalsContact C-N 3.32Å
108K90Very high96.2Very high89 Ų8960.7 Ų60.739%0.38728%0.283SS..THydrogen-bonded Turntrans-90.26.2176.9-69179.6-176.5-70.70113.6Y81 G104 L105 L106 L110Y81-K108 HydrophobicContact CD1-CD 3.59Å; Y81-K108 HydrophobicContact CD2-CD 3.99Å; Y81-K108 HydrophobicContact CE1-CD 3.5Å; Y81-K108 HydrophobicContact CE2-CD 3.95Å; Y81-K108 VanDerWaalsContact CE2-CE 3.47Å; Y81-K108 HydrophobicContact CG-CD 3.81Å; G104-K108 WeakPolarHBondContact O-CG 3.41Å; G104-K108 PolarHBondContact O-N 2.89Å; G104-K108 VanDerWaalsContact O-N 3.16Å; L105-K108 PolarHBondContact O-N 2.65Å; L106-K108 PolarHBondContact O-N 3.31Å; K108-L110 HydrophobicContact CB-CD1 4.4Å; K108-L110 HydrophobicContact CB-CG 4.16Å; K108-L110 PolarHBondContact O-N 3.24Å
109M92.7Very high96.2Very high167 Ų16761.5 Ų61.582%0.82329%0.287SS*.THydrogen-bonded Turntrans56.828.2180-54.6178.7-71.800114L105 L106 D107 I111L105-M109 PolarHBondContact O-N 2.86Å; L106-M109 WeakPolarHBondContact O-CA 3.31Å; L106-M109 PolarHBondContact O-N 3.25Å; D107-M109 VanDerWaalsContact C-N 3.32Å; M109-I111 VanDerWaalsContact C-N 3.32Å
110L94.2Very high96.2Very high47 Ų4761.8 Ų61.825%0.24629%0.29CS..SBendtrans-80.7-19.9174.5-63.2179.5000112.2A78 Y81 I82 L105 K108 I150A78-L110 HydrophobicContact CB-CD1 4.46Å; A78-L110 HydrophobicContact CB-CD2 3.55Å; Y81-L110 HydrophobicContact CD1-CD1 3.58Å; Y81-L110 HydrophobicContact CE1-CD1 4Å; I82-L110 HydrophobicContact CD1-CD1 4.37Å; I82-L110 HydrophobicContact CG1-CD1 4.46Å; L105-L110 HydrophobicContact CD2-CB 4.12Å; L105-L110 HydrophobicContact CD2-CD1 3.86Å; L105-L110 PolarHBondContact O-N 3.08Å; K108-L110 HydrophobicContact CB-CD1 4.4Å; K108-L110 HydrophobicContact CB-CG 4.16Å; K108-L110 PolarHBondContact O-N 3.24Å; L110-I150 HydrophobicContact CB-CG2 4.06Å; L110-I150 WeakPolarHBondContact O-CG2 3.14Å
111I97Very high96.3Very high11 Ų1162.5 Ų62.56%0.05630%0.304CS..SBendtrans-137.2156.3169.963.3-179000108.9I102 L105 L106 M109 E115 A116 I119 I150I102-I111 HydrophobicContact CG2-CD1 4.04Å; L105-I111 HydrophobicContact CB-CD1 3.67Å; L105-I111 HydrophobicContact CB-CG1 3.78Å; L105-I111 HydrophobicContact CD1-CD1 4.16Å; L106-I111 HydrophobicContact CB-CG1 4.4Å; L106-I111 WeakPolarHBondContact CD1-O 3.38Å; M109-I111 VanDerWaalsContact C-N 3.32Å; I111-E115 VanDerWaalsContact CA-OE2 3.25Å; I111-E115 WeakPolarHBondContact CA-OE2 3.49Å; I111-E115 HydrophobicContact CB-CB 3.95Å; I111-E115 WeakPolarHBondContact CB-OE2 3.34Å; I111-E115 HydrophobicContact CG2-CB 4.44Å; I111-A116 HydrophobicContact CD1-CB 3.86Å; I111-A116 HydrophobicContact CG1-CB 4.46Å; I111-I119 HydrophobicContact CD1-CD1 4.02Å; I111-I119 HydrophobicContact CG2-CD1 4.49Å; I111-I150 HydrophobicContact CG2-CD1 3.7Å; I111-I150 HydrophobicContact CG2-CG1 4.05Å; I111-I150 HydrophobicContact CG2-CG2 4.01Å
112N97.5Very high96.3Very high76 Ų7666 Ų6641%0.40633%0.325SS..  trans-90.3170.5170.262.256.7000112R114 E115 A116N112-R114 PolarHBondContact O-N 3.46Å; N112-R114 WeakPolarHBondContact OD1-CA 3.2Å; N112-R114 VanDerWaalsContact OD1-CB 3.31Å; N112-R114 WeakPolarHBondContact OD1-CB 3.28Å; N112-R114 PolarHBondContact OD1-N 3.49Å; N112-E115 VanDerWaalsContact CG-CD 3.47Å; N112-E115 PolarHBondContact N-OE2 3.28Å; N112-E115 PolarHBondContact ND2-OE1 3.5Å; N112-E115 PolarHBondContact ND2-OE2 2.88Å; N112-E115 VanDerWaalsContact ND2-OE2 3.15Å; N112-E115 PolarHBondContact O-N 3.19Å; N112-E115 PolarHBondContact OD1-N 3.31Å; N112-A116 PolarHBondContact O-N 2.86Å
113E98.1Very high96.3Very high127 Ų12766 Ų6659%0.59333%0.325SS*.Hα-helixtrans-58.4-32.5-179.9-67.8-172.1-174.300113.6L106 K117L106-E113 HydrophobicContact CD1-CG 4.2Å; E113-K117 WeakPolarHBondContact O-CB 3.29Å; E113-K117 VanDerWaalsContact O-CG 3.31Å; E113-K117 WeakPolarHBondContact O-CG 3.41Å; E113-K117 PolarHBondContact O-N 2.92Å; E113-K117 IonicContact OE2-NZ 2.66Å
114R98.4Very high96.4Very high187 Ų18765.2 Ų65.271%0.70632%0.321SS*.Hα-helixtrans-69.8-46-179.8-179-174.1171.3-156.6-2110N112 K117 M118N112-R114 PolarHBondContact O-N 3.46Å; N112-R114 WeakPolarHBondContact OD1-CA 3.2Å; N112-R114 VanDerWaalsContact OD1-CB 3.31Å; N112-R114 WeakPolarHBondContact OD1-CB 3.28Å; N112-R114 PolarHBondContact OD1-N 3.49Å; R114-K117 PolarHBondContact O-N 3.06Å; R114-M118 HydrophobicContact CG-CE 4.23Å; R114-M118 WeakPolarHBondContact O-CG 3.49Å; R114-M118 PolarHBondContact O-N 2.98Å
115E98.1Very high96.5Very high73 Ų7371.9 Ų71.934%0.34135%0.346SS..Hα-helixtrans-60-47173.5-76.1150.9-167.100111.4I111 N112 K117 M118 I119I111-E115 VanDerWaalsContact CA-OE2 3.25Å; I111-E115 WeakPolarHBondContact CA-OE2 3.49Å; I111-E115 HydrophobicContact CB-CB 3.95Å; I111-E115 WeakPolarHBondContact CB-OE2 3.34Å; I111-E115 HydrophobicContact CG2-CB 4.44Å; N112-E115 VanDerWaalsContact CG-CD 3.47Å; N112-E115 PolarHBondContact N-OE2 3.28Å; N112-E115 PolarHBondContact ND2-OE1 3.5Å; N112-E115 PolarHBondContact ND2-OE2 2.88Å; N112-E115 VanDerWaalsContact ND2-OE2 3.15Å; N112-E115 PolarHBondContact O-N 3.19Å; N112-E115 PolarHBondContact OD1-N 3.31Å; E115-K117 VanDerWaalsContact C-N 3.33Å; E115-K117 PolarHBondContact O-N 3.43Å; E115-M118 HydrophobicContact CB-CE 4.44Å; E115-M118 HydrophobicContact CG-CE 3.99Å; E115-M118 PolarHBondContact O-N 2.68Å; E115-M118 VanDerWaalsContact O-N 3.13Å; E115-I119 WeakPolarHBondContact O-CD1 3.13Å; E115-I119 WeakPolarHBondContact O-CG1 3.38Å; E115-I119 PolarHBondContact O-N 3.3Å
116A98.2Very high96.6Very high4 Ų479.1 Ų79.13%0.03338%0.379CS..Hα-helixtrans-53.7-49.1175.700000111.9I102 I111 N112 M118 I119 Q120I102-A116 HydrophobicContact CG2-CB 3.61Å; I111-A116 HydrophobicContact CD1-CB 3.86Å; I111-A116 HydrophobicContact CG1-CB 4.46Å; N112-A116 PolarHBondContact O-N 2.86Å; A116-M118 PolarHBondContact O-N 2.88Å; A116-I119 PolarHBondContact O-N 3.26Å; A116-Q120 WeakPolarHBondContact O-CB 3.46Å; A116-Q120 VanDerWaalsContact O-CG 3.27Å; A116-Q120 WeakPolarHBondContact O-CG 3.43Å; A116-Q120 PolarHBondContact O-N 3.03Å
117K98.3Very high96.7Very high130 Ų13080.4 Ų80.457%0.56539%0.39SS*.Hα-helixtrans-62.8-40177.1-74.2171-176.8164.50112.9E113 R114 E115 A121E113-K117 WeakPolarHBondContact O-CB 3.29Å; E113-K117 VanDerWaalsContact O-CG 3.31Å; E113-K117 WeakPolarHBondContact O-CG 3.41Å; E113-K117 PolarHBondContact O-N 2.92Å; E113-K117 IonicContact OE2-NZ 2.66Å; R114-K117 PolarHBondContact O-N 3.06Å; E115-K117 VanDerWaalsContact C-N 3.33Å; E115-K117 PolarHBondContact O-N 3.43Å; K117-A121 PolarHBondContact O-N 2.92Å
118M98.3Very high97Very high94 Ų9477 Ų7746%0.46337%0.371SS..Hα-helixtrans-64.7-45.1176.6-71.8-174.6-58.600111.3R114 E115 A116 A121 V122R114-M118 HydrophobicContact CG-CE 4.23Å; R114-M118 WeakPolarHBondContact O-CG 3.49Å; R114-M118 PolarHBondContact O-N 2.98Å; E115-M118 HydrophobicContact CB-CE 4.44Å; E115-M118 HydrophobicContact CG-CE 3.99Å; E115-M118 PolarHBondContact O-N 2.68Å; E115-M118 VanDerWaalsContact O-N 3.13Å; A116-M118 PolarHBondContact O-N 2.88Å; M118-A121 PolarHBondContact O-N 3.31Å; M118-V122 WeakPolarHBondContact O-CG2 3.38Å; M118-V122 PolarHBondContact O-N 3.15Å; M118-V122 VanDerWaalsContact O-N 3.12Å
119I98.2Very high97.1Very high18 Ų1878 Ų789%0.09239%0.389CS..Hα-helixtrans-63.7-46.3178.6-62.6158.7000110I102 I111 E115 A116 A121 V122 I123 L143 L146 I150I102-I119 HydrophobicContact CD1-CB 4.21Å; I102-I119 HydrophobicContact CD1-CG2 3.63Å; I102-I119 HydrophobicContact CG1-CG2 3.99Å; I111-I119 HydrophobicContact CD1-CD1 4.02Å; I111-I119 HydrophobicContact CG2-CD1 4.49Å; E115-I119 WeakPolarHBondContact O-CD1 3.13Å; E115-I119 WeakPolarHBondContact O-CG1 3.38Å; E115-I119 PolarHBondContact O-N 3.3Å; A116-I119 PolarHBondContact O-N 3.26Å; I119-A121 VanDerWaalsContact C-N 3.33Å; I119-A121 PolarHBondContact O-N 3.09Å; I119-V122 PolarHBondContact O-N 3.33Å; I119-V122 VanDerWaalsContact O-N 3.13Å; I119-I123 WeakPolarHBondContact O-CG1 3.45Å; I119-I123 PolarHBondContact O-N 3.37Å; I119-I123 VanDerWaalsContact O-N 3.14Å; I119-L143 HydrophobicContact CG2-CD2 4.29Å; I119-L146 HydrophobicContact CB-CD2 4.2Å; I119-L146 HydrophobicContact CD1-CD2 3.72Å; I119-L146 HydrophobicContact CG1-CD1 4.45Å; I119-L146 HydrophobicContact CG1-CD2 3.65Å; I119-L146 HydrophobicContact CG2-CD2 3.43Å; I119-L146 VanDerWaalsContact CG2-CD2 3.43Å; I119-I150 HydrophobicContact CD1-CD1 4.47Å
120Q98.3Very high97.2Very high51 Ų5173.8 Ų73.824%0.23837%0.369CS..Hα-helixtrans-54-48.7176-77.2174.7-9.900111.4Y99 I102 A116 V122 I123 D124Y99-Q120 HydrophobicContact CD1-CG 4.18Å; Y99-Q120 HydrophobicContact CE1-CB 4.16Å; Y99-Q120 HydrophobicContact CE1-CG 3.92Å; I102-Q120 HydrophobicContact CD1-CB 4.43Å; I102-Q120 HydrophobicContact CD1-CG 3.56Å; I102-Q120 HydrophobicContact CG2-CG 4.22Å; A116-Q120 WeakPolarHBondContact O-CB 3.46Å; A116-Q120 VanDerWaalsContact O-CG 3.27Å; A116-Q120 WeakPolarHBondContact O-CG 3.43Å; A116-Q120 PolarHBondContact O-N 3.03Å; Q120-V122 VanDerWaalsContact C-N 3.32Å; Q120-V122 PolarHBondContact O-N 2.89Å; Q120-I123 WeakPolarHBondContact O-CG1 3.34Å; Q120-I123 PolarHBondContact O-N 3.42Å; Q120-D124 WeakPolarHBondContact O-CB 3.48Å; Q120-D124 PolarHBondContact O-N 3.31Å
121A98.3Very high97.3Very high53 Ų5375.8 Ų75.844%0.43838%0.38SS..Hα-helixtrans-58.4-43.4177.800000112.1K117 M118 I119 I123 D124 T127K117-A121 PolarHBondContact O-N 2.92Å; M118-A121 PolarHBondContact O-N 3.31Å; I119-A121 VanDerWaalsContact C-N 3.33Å; I119-A121 PolarHBondContact O-N 3.09Å; A121-I123 VanDerWaalsContact C-N 3.29Å; A121-I123 PolarHBondContact O-N 2.94Å; A121-D124 PolarHBondContact O-N 3.06Å; A121-T127 VanDerWaalsContact O-CB 3.29Å; A121-T127 WeakPolarHBondContact O-CB 3.38Å; A121-T127 PolarHBondContact O-OG1 3.18Å
122V98Very high97.2Very high74 Ų7481.1 Ų81.145%0.44841%0.406SS..Hα-helixtrans-63.1-34.4-179.8170.30000112.7M118 I119 Q120 I142M118-V122 WeakPolarHBondContact O-CG2 3.38Å; M118-V122 PolarHBondContact O-N 3.15Å; M118-V122 VanDerWaalsContact O-N 3.12Å; I119-V122 PolarHBondContact O-N 3.33Å; I119-V122 VanDerWaalsContact O-N 3.13Å; Q120-V122 VanDerWaalsContact C-N 3.32Å; Q120-V122 PolarHBondContact O-N 2.89Å; V122-I142 HydrophobicContact CG1-CD1 4.2Å; V122-I142 HydrophobicContact CG1-CG2 4.1Å
123I98Very high97.2Very high0 Ų082.2 Ų82.20%042%0.415CS..Hα-helixtrans-101.8-2.9-175.370.7171000114.3A98 Y99 I102 I119 Q120 A121 R139 I142 L143A98-I123 HydrophobicContact CB-CD1 3.64Å; Y99-I123 HydrophobicContact CD1-CD1 4.2Å; Y99-I123 HydrophobicContact CE1-CD1 4.13Å; Y99-I123 HydrophobicContact CE1-CG1 4.09Å; I102-I123 HydrophobicContact CD1-CD1 3.63Å; I102-I123 HydrophobicContact CD1-CG1 4.44Å; I119-I123 WeakPolarHBondContact O-CG1 3.45Å; I119-I123 PolarHBondContact O-N 3.37Å; I119-I123 VanDerWaalsContact O-N 3.14Å; Q120-I123 WeakPolarHBondContact O-CG1 3.34Å; Q120-I123 PolarHBondContact O-N 3.42Å; A121-I123 VanDerWaalsContact C-N 3.29Å; A121-I123 PolarHBondContact O-N 2.94Å; I123-R139 HydrophobicContact CB-CG 3.96Å; I123-R139 HydrophobicContact CD1-CG 4.33Å; I123-R139 HydrophobicContact CG2-CG 4.29Å; I123-R139 PolarHBondContact O-NE 2.88Å; I123-R139 PolarHBondContact O-NH2 3.08Å; I123-I142 HydrophobicContact CG2-CB 4.3Å; I123-I142 HydrophobicContact CG2-CD1 4.39Å; I123-I142 HydrophobicContact CG2-CG2 3.79Å; I123-L143 HydrophobicContact CD1-CD2 4.34Å
124D97.9Very high97.2Very high25 Ų2578.3 Ų78.313%0.13440%0.402CS..SBendtrans-64.8147.2-178.6-171.7-88.8000110.3Q95 Y99 Q120 A121 E126 T127 L128Q95-D124 PolarHBondContact NE2-OD2 3.49Å; Y99-D124 PolarHBondContact OH-OD2 3.43Å; Q120-D124 WeakPolarHBondContact O-CB 3.48Å; Q120-D124 PolarHBondContact O-N 3.31Å; A121-D124 PolarHBondContact O-N 3.06Å; D124-E126 PolarHBondContact O-N 3.12Å; D124-E126 WeakPolarHBondContact OD1-CB 3.44Å; D124-E126 WeakPolarHBondContact OD1-CG 3.29Å; D124-E126 PolarHBondContact OD1-N 3.07Å; D124-T127 PolarHBondContact O-N 3.36Å; D124-T127 VanDerWaalsContact O-N 3.12Å; D124-L128 PolarHBondContact O-N 2.97Å
125R96.5Very high97.2Very high141 Ų14171.9 Ų71.953%0.53238%0.378SS..THydrogen-bonded Turntrans-53.4-30.2175.858.8-176.9-173.41801.8115Q95 L128Q95-R125 VanDerWaalsContact OE1-CB 3.29Å; R125-L128 CarbonylContact O-C 3.11Å
126E95.9Very high97.2Very high153 Ų15369.5 Ų69.572%0.71537%0.367SS*.THydrogen-bonded Turntrans-74.4-34.1-179.4-65.9178.7-174.900111D124D124-E126 PolarHBondContact O-N 3.12Å; D124-E126 WeakPolarHBondContact OD1-CB 3.44Å; D124-E126 WeakPolarHBondContact OD1-CG 3.29Å; D124-E126 PolarHBondContact OD1-N 3.07Å
127T97.6Very high97.2Very high84 Ų8472.6 Ų72.652%0.51538%0.382SS..THydrogen-bonded Turntrans-77.3-41.9173.3-63.40000111.7A121 D124 S129A121-T127 VanDerWaalsContact O-CB 3.29Å; A121-T127 WeakPolarHBondContact O-CB 3.38Å; A121-T127 PolarHBondContact O-OG1 3.18Å; D124-T127 PolarHBondContact O-N 3.36Å; D124-T127 VanDerWaalsContact O-N 3.12Å; T127-S129 PolarHBondContact O-N 2.9Å
128L96.7Very high97.2Very high13 Ų1369.5 Ų69.57%0.06837%0.371CS..SBendtrans-84.364.9174.7-58.2-175.3000110.8D124 R125 M130 R135 I138 R139 I142D124-L128 PolarHBondContact O-N 2.97Å; R125-L128 CarbonylContact O-C 3.11Å; L128-M130 HydrophobicContact CB-CE 4.4Å; L128-M130 HydrophobicContact CD2-CE 4.45Å; L128-M130 PolarHBondContact O-N 3.33Å; L128-R135 HydrophobicContact CB-CB 4.36Å; L128-R135 HydrophobicContact CB-CG 3.81Å; L128-R135 HydrophobicContact CD1-CG 4.08Å; L128-I138 HydrophobicContact CD1-CG2 4.36Å; L128-I138 HydrophobicContact CD2-CG2 3.88Å; L128-R139 HydrophobicContact CD1-CB 4.07Å; L128-I142 HydrophobicContact CD2-CD1 4.19Å
129S93.2Very high97.2Very high109 Ų10965 Ų6576%0.76235%0.349SS*.  trans-72.360.1-175.249.10000113.7T127T127-S129 PolarHBondContact O-N 2.9Å
130M94.9Very high97.2Very high80 Ų8064.1 Ų64.139%0.39435%0.345SS..SBendtrans-136.4176.9-179.962.7-168.773.100110.6L128 S134 R135 I138L128-M130 HydrophobicContact CB-CE 4.4Å; L128-M130 HydrophobicContact CD2-CE 4.45Å; L128-M130 PolarHBondContact O-N 3.33Å; M130-S134 VanDerWaalsContact SD-C 3.53Å; M130-S134 VanDerWaalsContact SD-CB 3.58Å; M130-R135 HydrophobicContact CG-CB 3.78Å; M130-R135 HydrophobicContact SD-CB 4.45Å; M130-I138 HydrophobicContact CE-CG1 4.28Å; M130-I138 HydrophobicContact SD-CB 4.3Å; M130-I138 HydrophobicContact SD-CG1 3.81Å
131D96.5Very high97.2Very high89 Ų8965.4 Ų65.448%0.47635%0.353SS..  trans-60160.7176.273.787.3000111.9V133 S134 R135D131-V133 VanDerWaalsContact C-N 3.31Å; D131-V133 PolarHBondContact O-N 3.28Å; D131-V133 WeakPolarHBondContact OD1-CB 3.43Å; D131-V133 PolarHBondContact OD1-N 2.93Å; D131-S134 PolarHBondContact O-N 3.23Å; D131-S134 PolarHBondContact OD1-N 2.9Å; D131-S134 PolarHBondContact OD1-OG 3.38Å; D131-S134 WeakPolarHBondContact OD2-CB 3.35Å; D131-S134 PolarHBondContact OD2-OG 3.38Å; D131-R135 VanDerWaalsContact O-CB 3.22Å; D131-R135 WeakPolarHBondContact O-CB 3.37Å; D131-R135 PolarHBondContact O-N 3.48Å
132M95.5Very high97.2Very high123 Ų12365.1 Ų65.161%0.60634%0.344SS*.Hα-helixtrans-57.9-40.3-175.2-175.5173.717700113.5D136M132-D136 PolarHBondContact O-N 3.28Å; M132-D136 VanDerWaalsContact O-N 3.11Å
133V96.8Very high97.2Very high98 Ų9861.7 Ų61.759%0.59432%0.323SS*.Hα-helixtrans-70-49.4-176-179.30000109.5D131 R135 D136 I137D131-V133 VanDerWaalsContact C-N 3.31Å; D131-V133 PolarHBondContact O-N 3.28Å; D131-V133 WeakPolarHBondContact OD1-CB 3.43Å; D131-V133 PolarHBondContact OD1-N 2.93Å; V133-R135 VanDerWaalsContact C-N 3.31Å; V133-R135 PolarHBondContact O-N 3.09Å; V133-D136 PolarHBondContact O-N 3.43Å; V133-I137 HydrophobicContact CG1-CD1 3.97Å; V133-I137 WeakPolarHBondContact O-CG1 3.47Å; V133-I137 PolarHBondContact O-N 3.01Å; V133-I137 VanDerWaalsContact O-N 3.14Å
134S97.7Very high97.2Very high46 Ų4665 Ų6532%0.32234%0.337SS..Hα-helixtrans-59.2-43.6177.6-60.40000111.5M130 D131 D136 I137 I138M130-S134 VanDerWaalsContact SD-C 3.53Å; M130-S134 VanDerWaalsContact SD-CB 3.58Å; D131-S134 PolarHBondContact O-N 3.23Å; D131-S134 PolarHBondContact OD1-N 2.9Å; D131-S134 PolarHBondContact OD1-OG 3.38Å; D131-S134 WeakPolarHBondContact OD2-CB 3.35Å; D131-S134 PolarHBondContact OD2-OG 3.38Å; S134-D136 PolarHBondContact O-N 2.92Å; S134-I137 PolarHBondContact O-N 3.21Å; S134-I138 WeakPolarHBondContact O-CB 3.4Å; S134-I138 VanDerWaalsContact O-CG1 3.3Å; S134-I138 WeakPolarHBondContact O-CG1 3.39Å; S134-I138 PolarHBondContact O-N 3.42Å
135R97.6Very high97.2Very high52 Ų5273.6 Ų73.620%0.19637%0.368CS..Hα-helixtrans-59.8-45.4179.3169.3172.146159.3-7.1112.5L128 M130 D131 V133 I137 I138 R139L128-R135 HydrophobicContact CB-CB 4.36Å; L128-R135 HydrophobicContact CB-CG 3.81Å; L128-R135 HydrophobicContact CD1-CG 4.08Å; M130-R135 HydrophobicContact CG-CB 3.78Å; M130-R135 HydrophobicContact SD-CB 4.45Å; D131-R135 VanDerWaalsContact O-CB 3.22Å; D131-R135 WeakPolarHBondContact O-CB 3.37Å; D131-R135 PolarHBondContact O-N 3.48Å; V133-R135 VanDerWaalsContact C-N 3.31Å; V133-R135 PolarHBondContact O-N 3.09Å; R135-I137 VanDerWaalsContact C-N 3.34Å; R135-I138 PolarHBondContact O-N 3.01Å; R135-R139 VanDerWaalsContact O-CB 3.29Å; R135-R139 WeakPolarHBondContact O-CB 3.49Å; R135-R139 PolarHBondContact O-N 2.78Å
136D98.2Very high97.2Very high23 Ų2369 Ų6912%0.12335%0.354CS..Hα-helixtrans-70.2-32.4-178.7-69.8-2.8000112S92 I93 M132 V133 S134 R139 A140S92-D136 WeakPolarHBondContact CA-O 3.5Å; I93-D136 PolarHBondContact N-O 2.86Å; I93-D136 WeakPolarHBondContact O-CA 3.43Å; I93-D136 WeakPolarHBondContact O-CB 3.49Å; M132-D136 PolarHBondContact O-N 3.28Å; M132-D136 VanDerWaalsContact O-N 3.11Å; V133-D136 PolarHBondContact O-N 3.43Å; S134-D136 PolarHBondContact O-N 2.92Å; D136-R139 IonicContact OD1-CZ 3.97Å; D136-R139 IonicContact OD1-NH1 3.33Å; D136-R139 PolarHBondContact OD1-NH1 3.21Å; D136-A140 PolarHBondContact O-N 3.33Å; D136-A140 VanDerWaalsContact O-N 3.14Å
137I98.4Very high97.2Very high68 Ų6861.7 Ų61.735%0.34932%0.32SS..Hα-helixtrans-68-49.6172.5-66.7167.7000111V133 S134 R135 R139 A140 N141V133-I137 HydrophobicContact CG1-CD1 3.97Å; V133-I137 WeakPolarHBondContact O-CG1 3.47Å; V133-I137 PolarHBondContact O-N 3.01Å; V133-I137 VanDerWaalsContact O-N 3.14Å; S134-I137 PolarHBondContact O-N 3.21Å; R135-I137 VanDerWaalsContact C-N 3.34Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 2.88Å; I137-A140 WeakPolarHBondContact O-CB 3.2Å; I137-A140 PolarHBondContact O-N 3Å; I137-N141 PolarHBondContact O-N 3.1Å; I137-N141 PolarHBondContact O-ND2 2.93Å
138I98.3Very high97Very high65 Ų6559.8 Ų59.833%0.33331%0.309SS..Hα-helixtrans-62.4-40.3179.8-67.4-60.2000110.8L128 M130 S134 R135 A140 N141 I142L128-I138 HydrophobicContact CD1-CG2 4.36Å; L128-I138 HydrophobicContact CD2-CG2 3.88Å; M130-I138 HydrophobicContact CE-CG1 4.28Å; M130-I138 HydrophobicContact SD-CB 4.3Å; M130-I138 HydrophobicContact SD-CG1 3.81Å; S134-I138 WeakPolarHBondContact O-CB 3.4Å; S134-I138 VanDerWaalsContact O-CG1 3.3Å; S134-I138 WeakPolarHBondContact O-CG1 3.39Å; S134-I138 PolarHBondContact O-N 3.42Å; R135-I138 PolarHBondContact O-N 3.01Å; I138-A140 PolarHBondContact O-N 2.66Å; I138-N141 WeakPolarHBondContact O-CB 3.29Å; I138-N141 PolarHBondContact O-N 2.92Å; I138-I142 HydrophobicContact CG2-CD1 3.82Å; I138-I142 HydrophobicContact CG2-CG1 4.37Å; I138-I142 WeakPolarHBondContact O-CG1 3.49Å; I138-I142 PolarHBondContact O-N 3.32Å
139R98.4Very high96.9Very high0 Ų062.8 Ų62.80%033%0.328CS..Hα-helixtrans-58.6-46173.5-176.3172.2-5197.5-0.1112.6I93 A98 I123 L128 R135 D136 I137 N141 I142 L143I93-R139 HydrophobicContact CG2-CB 4.08Å; I93-R139 HydrophobicContact CG2-CG 3.68Å; I93-R139 PolarHBondContact O-NH1 2.9Å; A98-R139 HydrophobicContact CB-CG 4.06Å; I123-R139 HydrophobicContact CB-CG 3.96Å; I123-R139 HydrophobicContact CD1-CG 4.33Å; I123-R139 HydrophobicContact CG2-CG 4.29Å; I123-R139 PolarHBondContact O-NE 2.88Å; I123-R139 PolarHBondContact O-NH2 3.08Å; L128-R139 HydrophobicContact CD1-CB 4.07Å; R135-R139 VanDerWaalsContact O-CB 3.29Å; R135-R139 WeakPolarHBondContact O-CB 3.49Å; R135-R139 PolarHBondContact O-N 2.78Å; D136-R139 IonicContact OD1-CZ 3.97Å; D136-R139 IonicContact OD1-NH1 3.33Å; D136-R139 PolarHBondContact OD1-NH1 3.21Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 2.88Å; R139-N141 VanDerWaalsContact C-N 3.29Å; R139-N141 PolarHBondContact O-N 3.42Å; R139-I142 PolarHBondContact O-N 2.96Å; R139-L143 HydrophobicContact CG-CD1 4.32Å; R139-L143 WeakPolarHBondContact O-CG 3.35Å; R139-L143 PolarHBondContact O-N 2.8Å
140A98.5Very high96.9Very high0 Ų058.6 Ų58.60%030%0.296CS..Hα-helixtrans-60.2-41.9176.600000111.3I89 I93 D136 I137 I138 L143 K144I89-A140 HydrophobicContact CG2-CB 3.67Å; I93-A140 HydrophobicContact CB-CB 4.38Å; I93-A140 HydrophobicContact CG2-CB 3.9Å; D136-A140 PolarHBondContact O-N 3.33Å; D136-A140 VanDerWaalsContact O-N 3.14Å; I137-A140 WeakPolarHBondContact O-CB 3.2Å; I137-A140 PolarHBondContact O-N 3Å; I138-A140 PolarHBondContact O-N 2.66Å; A140-L143 PolarHBondContact O-N 3.21Å; A140-K144 WeakPolarHBondContact O-CB 3.35Å; A140-K144 VanDerWaalsContact O-CG 3.3Å; A140-K144 WeakPolarHBondContact O-CG 3.43Å; A140-K144 PolarHBondContact O-N 3.1Å
141N98.4Very high96.4Very high78 Ų7856.9 Ų56.942%0.41729%0.289SS..Hα-helixtrans-63.9-43.3177.5-68.2-24.8000112.5I137 I138 R139 R145I137-N141 PolarHBondContact O-N 3.1Å; I137-N141 PolarHBondContact O-ND2 2.93Å; I138-N141 WeakPolarHBondContact O-CB 3.29Å; I138-N141 PolarHBondContact O-N 2.92Å; R139-N141 VanDerWaalsContact C-N 3.29Å; R139-N141 PolarHBondContact O-N 3.42Å; N141-R145 WeakPolarHBondContact O-CG 3.09Å; N141-R145 PolarHBondContact O-N 3.41Å
142I98.3Very high95.6Very high47 Ų4761.9 Ų61.924%0.24130%0.302CS..Hα-helixtrans-60-52.4177-69.2164.1000109.9V122 I123 L128 I138 R139 K144 R145 L146V122-I142 HydrophobicContact CG1-CD1 4.2Å; V122-I142 HydrophobicContact CG1-CG2 4.1Å; I123-I142 HydrophobicContact CG2-CB 4.3Å; I123-I142 HydrophobicContact CG2-CD1 4.39Å; I123-I142 HydrophobicContact CG2-CG2 3.79Å; L128-I142 HydrophobicContact CD2-CD1 4.19Å; I138-I142 HydrophobicContact CG2-CD1 3.82Å; I138-I142 HydrophobicContact CG2-CG1 4.37Å; I138-I142 WeakPolarHBondContact O-CG1 3.49Å; I138-I142 PolarHBondContact O-N 3.32Å; R139-I142 PolarHBondContact O-N 2.96Å; I142-K144 PolarHBondContact O-N 2.9Å; I142-R145 PolarHBondContact O-N 3.25Å; I142-R145 VanDerWaalsContact O-N 3.1Å; I142-L146 WeakPolarHBondContact O-CB 3.44Å; I142-L146 PolarHBondContact O-N 2.88Å
143L98.3Very high93.9Very high1 Ų168 Ų681%0.00532%0.32CS..Hα-helixtrans-63.6-40.5-178.2-68.6177.6000112.4I89 I93 A98 I101 I119 I123 R139 A140 R145 L146 L147I89-L143 HydrophobicContact CD1-CB 3.73Å; I89-L143 HydrophobicContact CD1-CD1 4.46Å; I93-L143 HydrophobicContact CD1-CD1 4.36Å; I93-L143 HydrophobicContact CG2-CD1 4.18Å; A98-L143 HydrophobicContact CB-CD1 3.68Å; I101-L143 HydrophobicContact CD1-CD1 4.32Å; I119-L143 HydrophobicContact CG2-CD2 4.29Å; I123-L143 HydrophobicContact CD1-CD2 4.34Å; R139-L143 HydrophobicContact CG-CD1 4.32Å; R139-L143 WeakPolarHBondContact O-CG 3.35Å; R139-L143 PolarHBondContact O-N 2.8Å; A140-L143 PolarHBondContact O-N 3.21Å; L143-R145 PolarHBondContact O-N 2.78Å; L143-L146 HydrophobicContact CD2-CD2 4.16Å; L143-L146 PolarHBondContact O-N 3.08Å; L143-L146 VanDerWaalsContact O-N 3.15Å; L143-L147 WeakPolarHBondContact O-CB 3.37Å; L143-L147 WeakPolarHBondContact O-CG 3.39Å; L143-L147 PolarHBondContact O-N 3.26Å
144K97.9Very high93.7Very high70 Ų7066.5 Ų66.530%0.30431%0.307SS..Hα-helixtrans-60.2-28.1175.1-81.4174.6166.81670113.6L86 I89 G90 A140 I142 P148L86-K144 HydrophobicContact CD2-CB 4.38Å; L86-K144 HydrophobicContact CD2-CG 4.18Å; I89-K144 HydrophobicContact CB-CG 4.28Å; I89-K144 HydrophobicContact CD1-CG 4.49Å; I89-K144 HydrophobicContact CG2-CD 4.11Å; I89-K144 HydrophobicContact CG2-CG 3.92Å; I89-K144 WeakPolarHBondContact O-CE 3.44Å; I89-K144 PolarHBondContact O-NZ 3.03Å; G90-K144 PolarHBondContact O-NZ 3.45Å; A140-K144 WeakPolarHBondContact O-CB 3.35Å; A140-K144 VanDerWaalsContact O-CG 3.3Å; A140-K144 WeakPolarHBondContact O-CG 3.43Å; A140-K144 PolarHBondContact O-N 3.1Å; I142-K144 PolarHBondContact O-N 2.9Å; K144-P148 WeakPolarHBondContact O-CD 3.18Å; K144-P148 WeakPolarHBondContact O-CG 3.31Å
145R97Very high93.5Very high205 Ų20567.6 Ų67.677%0.77431%0.306SS*.Hα-helixtrans-87.1-33.2174.8-66.6-60.1-177.6-178.8-1.1112.6N141 I142 L143 V149N141-R145 WeakPolarHBondContact O-CG 3.09Å; N141-R145 PolarHBondContact O-N 3.41Å; I142-R145 PolarHBondContact O-N 3.25Å; I142-R145 VanDerWaalsContact O-N 3.1Å; L143-R145 PolarHBondContact O-N 2.78Å; R145-V149 WeakPolarHBondContact O-CG2 3.32Å
146L96.9Very high93.3Very high45 Ų4568.4 Ų68.424%0.23631%0.312CS..Hα-helixtrans-73-45.1-179.418071.1000112.8I119 I142 L143 V149 I150I119-L146 HydrophobicContact CB-CD2 4.2Å; I119-L146 HydrophobicContact CD1-CD2 3.72Å; I119-L146 HydrophobicContact CG1-CD1 4.45Å; I119-L146 HydrophobicContact CG1-CD2 3.65Å; I119-L146 HydrophobicContact CG2-CD2 3.43Å; I119-L146 VanDerWaalsContact CG2-CD2 3.43Å; I142-L146 WeakPolarHBondContact O-CB 3.44Å; I142-L146 PolarHBondContact O-N 2.88Å; L143-L146 HydrophobicContact CD2-CD2 4.16Å; L143-L146 PolarHBondContact O-N 3.08Å; L143-L146 VanDerWaalsContact O-N 3.15Å; L146-V149 WeakPolarHBondContact O-CA 3.39Å; L146-V149 VanDerWaalsContact O-CB 3.32Å; L146-V149 WeakPolarHBondContact O-CB 3.42Å; L146-V149 PolarHBondContact O-N 3.06Å; L146-I150 HydrophobicContact CD2-CD1 4.31Å; L146-I150 HydrophobicContact CG-CD1 3.96Å; L146-I150 HydrophobicContact CG-CG1 4.44Å; L146-I150 PolarHBondContact O-N 2.91Å; L146-I150 VanDerWaalsContact O-N 3.1Å
147L96.2Very high93Very high0 Ų071.1 Ų71.10%032%0.323CS..Hα-helixtrans-57.7-44.9-173.6-75.3175.3000113.5I82 L85 L86 I89 I101 L105 L143 V149 I150 N151I82-L147 HydrophobicContact CD1-CB 4.4Å; I82-L147 HydrophobicContact CD1-CD2 3.77Å; I82-L147 HydrophobicContact CG2-CB 4.08Å; L85-L147 HydrophobicContact CB-CD1 3.74Å; L85-L147 HydrophobicContact CB-CD2 4.49Å; L85-L147 HydrophobicContact CD1-CD2 3.89Å; L86-L147 HydrophobicContact CD2-CB 4.1Å; L86-L147 HydrophobicContact CD2-CD1 3.98Å; L86-L147 HydrophobicContact CG-CB 4.32Å; L86-L147 HydrophobicContact CG-CD1 4.13Å; I89-L147 HydrophobicContact CD1-CD1 3.4Å; I101-L147 HydrophobicContact CG2-CD2 4.2Å; L105-L147 HydrophobicContact CD1-CD2 3.86Å; L105-L147 HydrophobicContact CD2-CD2 4.1Å; L105-L147 HydrophobicContact CG-CD2 4.46Å; L143-L147 WeakPolarHBondContact O-CB 3.37Å; L143-L147 WeakPolarHBondContact O-CG 3.39Å; L143-L147 PolarHBondContact O-N 3.26Å; L147-V149 VanDerWaalsContact C-N 3.28Å; L147-V149 PolarHBondContact O-N 3.33Å; L147-I150 PolarHBondContact O-N 3.05Å; L147-N151 PolarHBondContact O-N 3.48Å
148P94.1Very high92.7Very high43 Ų4371.3 Ų71.328%0.27932%0.321SS..Hα-helixtrans-60.7-36.2173.5-24.234.8000113L86 K144 I150 N151 Y152L86-P148 HydrophobicContact CD1-CG 4.24Å; K144-P148 WeakPolarHBondContact O-CD 3.18Å; K144-P148 WeakPolarHBondContact O-CG 3.31Å; P148-I150 VanDerWaalsContact C-N 3.32Å; P148-I150 PolarHBondContact O-N 3.4Å; P148-N151 PolarHBondContact O-N 3.07Å; P148-N151 VanDerWaalsContact O-N 3.16Å; P148-Y152 WeakPolarHBondContact O-CD2 3.37Å; P148-Y152 PolarHBondContact O-N 2.95Å
149V94.9Very high92.3Very high77 Ų7771.7 Ų71.747%0.46732%0.321SS..Hα-helixtrans-62.7-41.8178.2177.50000110.5R145 L146 L147 N151 Y152 Y153R145-V149 WeakPolarHBondContact O-CG2 3.32Å; L146-V149 WeakPolarHBondContact O-CA 3.39Å; L146-V149 VanDerWaalsContact O-CB 3.32Å; L146-V149 WeakPolarHBondContact O-CB 3.42Å; L146-V149 PolarHBondContact O-N 3.06Å; L147-V149 VanDerWaalsContact C-N 3.28Å; L147-V149 PolarHBondContact O-N 3.33Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.43Å; V149-Y152 PolarHBondContact O-N 3.15Å; V149-Y153 HydrophobicContact CG1-CD2 4.42Å; V149-Y153 HydrophobicContact CG1-CE2 4.38Å; V149-Y153 WeakPolarHBondContact O-CD2 3.24Å
150I92.6Very high91.8Very high21 Ų2176.9 Ų76.911%0.10834%0.344CS..Hα-helixtrans-61.3-38.4175.5-64.5168.2000110.9I82 L105 L110 I111 I119 L146 L147 P148 Y152I82-I150 HydrophobicContact CD1-CG2 4.37Å; L105-I150 HydrophobicContact CD1-CD1 3.87Å; L110-I150 HydrophobicContact CB-CG2 4.06Å; L110-I150 WeakPolarHBondContact O-CG2 3.14Å; I111-I150 HydrophobicContact CG2-CD1 3.7Å; I111-I150 HydrophobicContact CG2-CG1 4.05Å; I111-I150 HydrophobicContact CG2-CG2 4.01Å; I119-I150 HydrophobicContact CD1-CD1 4.47Å; L146-I150 HydrophobicContact CD2-CD1 4.31Å; L146-I150 HydrophobicContact CG-CD1 3.96Å; L146-I150 HydrophobicContact CG-CG1 4.44Å; L146-I150 PolarHBondContact O-N 2.91Å; L146-I150 VanDerWaalsContact O-N 3.1Å; L147-I150 PolarHBondContact O-N 3.05Å; P148-I150 VanDerWaalsContact C-N 3.32Å; P148-I150 PolarHBondContact O-N 3.4Å; I150-Y152 VanDerWaalsContact C-N 3.31Å; I150-Y152 PolarHBondContact O-N 2.89Å
151N84Confident91.3Very high43 Ų4382.8 Ų82.823%0.2337%0.37CS..Hα-helixtrans-71.5-21.5-180-168.762000114.7T79 I82 L147 P148 V149T79-N151 WeakPolarHBondContact CA-OD1 3.29Å; T79-N151 PolarHBondContact N-OD1 3.02Å; T79-N151 PolarHBondContact OG1-ND2 3.25Å; T79-N151 PolarHBondContact OG1-OD1 3.33Å; I82-N151 HydrophobicContact CB-CB 4.27Å; I82-N151 HydrophobicContact CG1-CB 4.06Å; I82-N151 HydrophobicContact CG2-CB 4.06Å; L147-N151 PolarHBondContact O-N 3.48Å; P148-N151 PolarHBondContact O-N 3.07Å; P148-N151 VanDerWaalsContact O-N 3.16Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.43Å
152Y79.1Confident90.8Very high194 Ų19483.2 Ų83.276%0.76137%0.366SS*.Hα-helixtrans-82.4-14.8-179.2-83.8-69.8000113.4P148 V149 I150P148-Y152 WeakPolarHBondContact O-CD2 3.37Å; P148-Y152 PolarHBondContact O-N 2.95Å; V149-Y152 PolarHBondContact O-N 3.15Å; I150-Y152 VanDerWaalsContact C-N 3.31Å; I150-Y152 PolarHBondContact O-N 2.89Å
153Y59.8Low90.1Very high252 Ų25286.5 Ų86.599%0.98838%0.377SS*.  trans-114.90179.3-71.1-78.4000110.8V149V149-Y153 HydrophobicContact CG1-CD2 4.42Å; V149-Y153 HydrophobicContact CG1-CE2 4.38Å; V149-Y153 WeakPolarHBondContact O-CD2 3.24Å

Retrieved 153 of 153 residues in 910.5 ms (Link to these results)

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