A0A3Q0KQR3_SCHMA Loading...

Cysteine-rich with egf-like domains protein

AlphaFold DB , UniProt , Accession A0A3Q0KQR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 426 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
1M57.8Low56.2Low198 Ų198112.4 Ų112.498%0.97562%0.621SS**  0-29.80-68.2-58.5-94.300114P3M1-P3 VanDerWaalsContact C-CD 3.48Å
2L57.7Low56Low148 Ų148114.2 Ų114.278%0.77563%0.626SS**Hα-helixtrans-59.4-37.8179.1-13179000117.1L4 L5L2-L4 PolarHBondContact O-N 3.47Å; L2-L5 PolarHBondContact O-N 3.43Å
3P61.7Low55.2Low94 Ų94115.3 Ų115.361%0.6163%0.629SS**Hα-helixtrans-74.4-28.5-17526.2-32.1000113.4M1 V6 V7M1-P3 VanDerWaalsContact C-CD 3.48Å; P3-V6 PolarHBondContact O-N 3.01Å; P3-V7 WeakPolarHBondContact O-CG2 3.06Å; P3-V7 PolarHBondContact O-N 3.26Å
4L62.2Low54.5Low118 Ų118113.2 Ų113.262%0.61863%0.625SS**Hα-helixtrans-70.5-32.4177.7-97.6139.3000112.5L2 L8L2-L4 PolarHBondContact O-N 3.47Å; L4-L8 WeakPolarHBondContact O-CG 3.41Å; L4-L8 PolarHBondContact O-N 3.4Å; L4-L8 VanDerWaalsContact O-N 3.14Å
5L63.4Low54.2Low114 Ų114112.4 Ų112.460%0.59763%0.628SS**Hα-helixtrans-70.6-35.2178.2-139.197.1000112L2 L8 L9L2-L5 PolarHBondContact O-N 3.43Å; L5-L8 PolarHBondContact O-N 3.3Å; L5-L9 HydrophobicContact CD2-CD1 4.01Å; L5-L9 HydrophobicContact CG-CD1 4.41Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CD1 3.25Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.38Å; L5-L9 PolarHBondContact O-N 2.95Å
6V63.1Low54.7Low78 Ų78113.8 Ų113.847%0.47364%0.64SS.*Hα-helixtrans-70-36.4178178.40000111.4P3 N10P3-V6 PolarHBondContact O-N 3.01Å; V6-N10 VanDerWaalsContact O-CB 3.27Å; V6-N10 WeakPolarHBondContact O-CB 3.43Å; V6-N10 VanDerWaalsContact O-CG 3.31Å; V6-N10 PolarHBondContact O-N 3.23Å
7V59.9Low55.4Low92 Ų92110.9 Ų110.956%0.55862%0.622SS**Hα-helixtrans-69.4-40175.7177.20000111.3P3 S11P3-V7 WeakPolarHBondContact O-CG2 3.06Å; P3-V7 PolarHBondContact O-N 3.26Å; V7-S11 WeakPolarHBondContact O-CB 3.42Å; V7-S11 PolarHBondContact O-N 3.03Å; V7-S11 PolarHBondContact O-OG 3.05Å
8L56.2Low56.4Low106 Ų106108.1 Ų108.156%0.55561%0.608SS**Hα-helixtrans-68.3-41176-72.5166.5000111.9L4 L5 S11 I12L4-L8 WeakPolarHBondContact O-CG 3.41Å; L4-L8 PolarHBondContact O-N 3.4Å; L4-L8 VanDerWaalsContact O-N 3.14Å; L5-L8 PolarHBondContact O-N 3.3Å; L8-S11 PolarHBondContact O-N 2.9Å; L8-I12 WeakPolarHBondContact O-CD1 3.38Å; L8-I12 VanDerWaalsContact O-CG1 3.26Å; L8-I12 WeakPolarHBondContact O-CG1 3.44Å; L8-I12 PolarHBondContact O-N 3.07Å
9L51Low57.5Low91 Ų91109.6 Ų109.648%0.47661%0.613SS.*Hα-helixtrans-68-37.7176.1-74.6163.9000112.5L5 S11 I12L5-L9 HydrophobicContact CD2-CD1 4.01Å; L5-L9 HydrophobicContact CG-CD1 4.41Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CD1 3.25Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.38Å; L5-L9 PolarHBondContact O-N 2.95Å; L9-S11 VanDerWaalsContact C-N 3.3Å; L9-S11 PolarHBondContact O-N 3.35Å; L9-I12 PolarHBondContact O-N 2.93Å
10N39.5Very low58.4Low114 Ų114105.1 Ų105.161%0.6159%0.586SS**Hα-helixtrans-71.7-23.4175.3-78-13.2000113.4V6 I12V6-N10 VanDerWaalsContact O-CB 3.27Å; V6-N10 WeakPolarHBondContact O-CB 3.43Å; V6-N10 VanDerWaalsContact O-CG 3.31Å; V6-N10 PolarHBondContact O-N 3.23Å; N10-I12 VanDerWaalsContact C-N 3.34Å
11S45.7Very low59.3Low83 Ų83101.7 Ų101.758%0.5857%0.569SS**Hα-helixtrans-77.2-22.5175.4-56.90000112.7V7 L8 L9V7-S11 WeakPolarHBondContact O-CB 3.42Å; V7-S11 PolarHBondContact O-N 3.03Å; V7-S11 PolarHBondContact O-OG 3.05Å; L8-S11 PolarHBondContact O-N 2.9Å; L9-S11 VanDerWaalsContact C-N 3.3Å; L9-S11 PolarHBondContact O-N 3.35Å
12I53.7Low60.4Low134 Ų13495.5 Ų95.569%0.68756%0.556SS**Hα-helixtrans-86.9-23-177.7-64.2163.7000111.9L8 L9 N10L8-I12 WeakPolarHBondContact O-CD1 3.38Å; L8-I12 VanDerWaalsContact O-CG1 3.26Å; L8-I12 WeakPolarHBondContact O-CG1 3.44Å; L8-I12 PolarHBondContact O-N 3.07Å; L9-I12 PolarHBondContact O-N 2.93Å; N10-I12 VanDerWaalsContact C-N 3.34Å
13I46.4Very low61.9Low129 Ų12990.9 Ų90.966%0.66253%0.532SS*.SBendtrans-103.26-175.1-51.1169.7000112.6P15I13-P15 WeakPolarHBondContact O-CD 3.24Å
14C45.4Very low63.4Low86 Ų8690 Ų9058%0.58152%0.522SS*.SBendtrans-80.2104.7167.5-1480000107.2T16C14-T16 PolarHBondContact O-N 2.94Å
15P49.6Very low64.9Low101 Ų10184.5 Ų84.566%0.65649%0.494SS*.  trans-51.9124.7165.423.7-31.9000105.5I13 L17I13-P15 WeakPolarHBondContact O-CD 3.24Å; P15-L17 PolarHBondContact O-N 3.02Å
16T61.8Low66.3Low134 Ų13481.9 Ų81.982%0.82248%0.48SS*.  trans-62.791.1-179.837.10000107.4C14 T18C14-T16 PolarHBondContact O-N 2.94Å; T16-T18 PolarHBondContact O-N 3.29Å
17L66Low67.8Low66 Ų6680 Ų8035%0.34647%0.466SS..PPolyproline II helixtrans-51.4128.8178.1-71.5173.9000107.8P15 D79 K81P15-L17 PolarHBondContact O-N 3.02Å; L17-D79 CarbonylContact C-O 3.45Å; L17-D79 WeakPolarHBondContact CA-O 3.04Å; L17-D79 VanDerWaalsContact CD2-C 3.46Å; L17-D79 WeakPolarHBondContact CD2-O 3.5Å; L17-K81 HydrophobicContact CB-CB 4.39Å; L17-K81 HydrophobicContact CB-CD 4.37Å; L17-K81 HydrophobicContact CB-CG 3.35Å; L17-K81 HydrophobicContact CD1-CG 4.17Å; L17-K81 HydrophobicContact CG-CG 4.42Å; L17-K81 VanDerWaalsContact O-CE 3.25Å; L17-K81 WeakPolarHBondContact O-CE 3.03Å
18T74.5Confident69.5Low60 Ų6075.7 Ų75.737%0.36844%0.439SS..BIsolated β-bridgetrans-69.6146.6-174.759.10000109.9T16 Y20 D79 K81T16-T18 PolarHBondContact O-N 3.29Å; T18-Y20 PolarHBondContact O-N 2.77Å; T18-D79 PolarHBondContact N-O 3.3Å; T18-D79 PolarHBondContact OG1-O 3.45Å; T18-K81 PolarHBondContact O-N 2.7Å
19I77.8Confident71.3Confident136 Ų13673.6 Ų73.670%0.69742%0.424SS*.PPolyproline II helixtrans-73127.3173-63.9173.1000107.3
20Y75.5Confident73.3Confident20 Ų2070.7 Ų70.78%0.07841%0.408CS..PPolyproline II helixtrans-69130.9-178.3-170.5-110.5000111.4T18 K27 V80 Q82 K85 C86 F89T18-Y20 PolarHBondContact O-N 2.77Å; Y20-K27 HydrophobicContact CE1-CD 3.82Å; Y20-K27 HydrophobicContact CE1-CG 3.8Å; Y20-K27 HydrophobicContact CE2-CG 4.43Å; Y20-K27 WeakPolarHBondContact OH-CD 3.43Å; Y20-K27 WeakPolarHBondContact OH-CG 3.45Å; Y20-V80 HydrophobicContact CD2-CB 4.4Å; Y20-V80 HydrophobicContact CD2-CG1 4.21Å; Y20-Q82 VanDerWaalsContact CB-OE1 3.24Å; Y20-K85 HydrophobicContact CD1-CB 3.81Å; Y20-K85 HydrophobicContact CE1-CB 3.81Å; Y20-K85 PolarHBondContact OH-O 3.2Å; Y20-C86 HydrophobicContact CD2-CB 3.99Å; Y20-C86 HydrophobicContact CE2-CB 3.56Å; Y20-F89 WeakPolarHBondContact OH-CB 3.43Å; Y20-F89 WeakPolarHBondContact OH-CG 3.4Å
21P76.6Confident76Confident33 Ų3365.4 Ų65.421%0.21438%0.38CS..PPolyproline II helixtrans-63.2151.2-177.8-21.832.7000114.1N26 K27 H30P21-N26 HydrophobicContact CB-CB 3.52Å; P21-N26 HydrophobicContact CG-CB 4.01Å; P21-K27 HydrophobicContact CB-CG 4.27Å; P21-K27 WeakPolarHBondContact O-CE 3.42Å; P21-H30 HydrophobicContact CG-CB 4.44Å
22G80.1Confident78.3Confident69 Ų6961.4 Ų61.471%0.71135%0.352SS*.SBendtrans-85.3-37.9-179.500000114.5K27G22-K27 WeakPolarHBondContact O-CE 3.38Å; G22-K27 PolarHBondContact O-NZ 3.15Å
23D89.4Confident80.3Confident50 Ų5060.2 Ų60.227%0.26734%0.342SS..SBendtrans-93.4147.7-177.366.8118.8000112.6C25 N26 K27D23-C25 VanDerWaalsContact C-N 3.27Å; D23-C25 PolarHBondContact O-N 2.76Å; D23-N26 VanDerWaalsContact CG-ND2 3.26Å; D23-N26 PolarHBondContact O-N 2.81Å; D23-N26 PolarHBondContact OD1-N 2.63Å; D23-N26 VanDerWaalsContact OD1-N 3.14Å; D23-N26 PolarHBondContact OD1-ND2 3.47Å; D23-N26 VanDerWaalsContact OD1-ND2 3.09Å; D23-N26 VanDerWaalsContact OD2-CB 3.28Å; D23-N26 WeakPolarHBondContact OD2-CB 3.07Å; D23-N26 PolarHBondContact OD2-ND2 2.7Å; D23-K27 WeakPolarHBondContact O-CG 3.4Å; D23-K27 PolarHBondContact O-N 3.42Å
24D92.6Very high82.5Confident76 Ų7654.7 Ų54.741%0.40631%0.314SS..Hα-helixtrans-66-28.4-172.4-59.4-24.4000113.3K27 C28 F89 F126D24-K27 IonicContact OD1-NZ 2.71Å; D24-K27 PolarHBondContact OD1-NZ 3.01Å; D24-C28 WeakPolarHBondContact O-CB 3.37Å; D24-C28 PolarHBondContact O-N 2.68Å; D24-F89 HydrophobicContact CB-CE2 4.24Å; D24-F126 HydrophobicContact CB-CB 4.32Å; D24-F126 HydrophobicContact CB-CD1 3.85Å; D24-F126 HydrophobicContact CB-CE1 4.32Å; D24-F126 HydrophobicContact CB-CG 4.06Å
25C94.7Very high84.9Confident3 Ų350.6 Ų50.62%0.0229%0.287CS..Hα-helixtrans-64.4-51.8174.3176.20000111.2D23 K27 C28 R29 F126 C127 G154D23-C25 VanDerWaalsContact C-N 3.27Å; D23-C25 PolarHBondContact O-N 2.76Å; C25-K27 VanDerWaalsContact C-N 3.33Å; C25-K27 PolarHBondContact O-N 2.84Å; C25-C28 WeakPolarHBondContact O-CB 3.4Å; C25-C28 PolarHBondContact O-N 3.5Å; C25-R29 WeakPolarHBondContact O-CG 3.31Å; C25-R29 PolarHBondContact O-N 3.09Å; C25-F126 WeakPolarHBondContact CB-O 3.37Å; C25-C127 WeakPolarHBondContact CA-SG 3.35Å; C25-C127 HydrophobicContact CB-CB 4.1Å; C25-C127 WeakPolarHBondContact CB-SG 3.39Å; C25-C127 PolarHBondContact O-SG 3.3Å; C25-C127 VanDerWaalsContact SG-CA 3.53Å; C25-C127 WeakPolarHBondContact SG-CB 3.26Å; C25-C127 CovalentContact SG-SG 2.04Å; C25-C127 PolarHBondContact SG-SG 2.96Å; C25-G154 PolarHBondContact SG-O 3.49Å
26N93Very high86.9Confident59 Ų5947.3 Ų47.332%0.31626%0.264SS..Hα-helixtrans-68.4-31.7178.7-69.6-43.2000112.8P21 D23 C28 R29 H30P21-N26 HydrophobicContact CB-CB 3.52Å; P21-N26 HydrophobicContact CG-CB 4.01Å; D23-N26 VanDerWaalsContact CG-ND2 3.26Å; D23-N26 PolarHBondContact O-N 2.81Å; D23-N26 PolarHBondContact OD1-N 2.63Å; D23-N26 VanDerWaalsContact OD1-N 3.14Å; D23-N26 PolarHBondContact OD1-ND2 3.47Å; D23-N26 VanDerWaalsContact OD1-ND2 3.09Å; D23-N26 VanDerWaalsContact OD2-CB 3.28Å; D23-N26 WeakPolarHBondContact OD2-CB 3.07Å; D23-N26 PolarHBondContact OD2-ND2 2.7Å; N26-C28 VanDerWaalsContact C-N 3.34Å; N26-R29 PolarHBondContact O-N 3.4Å; N26-H30 WeakPolarHBondContact O-CB 3.49Å; N26-H30 PolarHBondContact O-N 3.06Å
27K93.8Very high88.3Confident39 Ų3946.6 Ų46.617%0.1725%0.254CS..Hα-helixtrans-59.6-45.9169.5-66.7175.4-161.6157.60111.1Y20 P21 G22 D23 D24 C25 H30 A31 F89Y20-K27 HydrophobicContact CE1-CD 3.82Å; Y20-K27 HydrophobicContact CE1-CG 3.8Å; Y20-K27 HydrophobicContact CE2-CG 4.43Å; Y20-K27 WeakPolarHBondContact OH-CD 3.43Å; Y20-K27 WeakPolarHBondContact OH-CG 3.45Å; P21-K27 HydrophobicContact CB-CG 4.27Å; P21-K27 WeakPolarHBondContact O-CE 3.42Å; G22-K27 WeakPolarHBondContact O-CE 3.38Å; G22-K27 PolarHBondContact O-NZ 3.15Å; D23-K27 WeakPolarHBondContact O-CG 3.4Å; D23-K27 PolarHBondContact O-N 3.42Å; D24-K27 IonicContact OD1-NZ 2.71Å; D24-K27 PolarHBondContact OD1-NZ 3.01Å; C25-K27 VanDerWaalsContact C-N 3.33Å; C25-K27 PolarHBondContact O-N 2.84Å; K27-H30 PolarHBondContact O-N 3.09Å; K27-A31 PolarHBondContact O-N 3.11Å; K27-F89 VanDerWaalsContact C-CE1 3.5Å; K27-F89 HydrophobicContact CB-CD1 3.82Å; K27-F89 HydrophobicContact CB-CD2 3.89Å; K27-F89 HydrophobicContact CB-CE1 3.67Å; K27-F89 HydrophobicContact CB-CE2 3.74Å; K27-F89 HydrophobicContact CB-CG 3.93Å; K27-F89 HydrophobicContact CB-CZ 3.63Å; K27-F89 HydrophobicContact CD-CB 4.39Å; K27-F89 HydrophobicContact CD-CD2 3.61Å; K27-F89 HydrophobicContact CD-CE2 4.03Å; K27-F89 HydrophobicContact CD-CG 3.97Å; K27-F89 HydrophobicContact CG-CD2 4.41Å
28C95.9Very high89.6Confident0 Ų044.2 Ų44.20%025%0.246CC..Hα-helixtrans-62-48.3176.4-172.40000112.1D24 C25 N26 H30 A31 A32 F89 C120 F126D24-C28 WeakPolarHBondContact O-CB 3.37Å; D24-C28 PolarHBondContact O-N 2.68Å; C25-C28 WeakPolarHBondContact O-CB 3.4Å; C25-C28 PolarHBondContact O-N 3.5Å; N26-C28 VanDerWaalsContact C-N 3.34Å; C28-H30 VanDerWaalsContact C-N 3.28Å; C28-H30 PolarHBondContact O-N 2.63Å; C28-A31 PolarHBondContact O-N 3.21Å; C28-A32 WeakPolarHBondContact O-CB 3.5Å; C28-A32 PolarHBondContact O-N 3.36Å; C28-F89 HydrophobicContact CB-CE1 4.34Å; C28-F89 HydrophobicContact CB-CZ 3.93Å; C28-C120 HydrophobicContact CB-CB 3.89Å; C28-C120 WeakPolarHBondContact CB-SG 3.47Å; C28-C120 PolarHBondContact O-SG 2.87Å; C28-C120 VanDerWaalsContact O-SG 3.4Å; C28-C120 WeakPolarHBondContact SG-CA 3.36Å; C28-C120 WeakPolarHBondContact SG-CB 3.39Å; C28-C120 CovalentContact SG-SG 2.05Å; C28-C120 PolarHBondContact SG-SG 3.06Å; C28-F126 HydrophobicContact CB-CB 4.4Å; C28-F126 HydrophobicContact CB-CD2 3.97Å
29R94.8Very high90.3Very high63 Ų6342.1 Ų42.124%0.23823%0.232CC..Hα-helixtrans-59.8-39.7178.1-70.3-179171.9165.7-4.6112C25 N26 K33 E116 G154C25-R29 WeakPolarHBondContact O-CG 3.31Å; C25-R29 PolarHBondContact O-N 3.09Å; N26-R29 PolarHBondContact O-N 3.4Å; R29-K33 WeakPolarHBondContact O-CB 3.24Å; R29-K33 VanDerWaalsContact O-CG 3.25Å; R29-K33 WeakPolarHBondContact O-CG 3.42Å; R29-K33 PolarHBondContact O-N 3.4Å; R29-E116 WeakPolarHBondContact CB-OE1 3.35Å; R29-E116 HydrophobicContact CG-CG 4.48Å; R29-E116 VanDerWaalsContact CG-OE1 3.26Å; R29-E116 WeakPolarHBondContact CG-OE1 3.49Å; R29-G154 PolarHBondContact NH2-O 3.27Å; R29-G154 VanDerWaalsContact NH2-O 3.12Å
30H93.5Very high91Very high30 Ų3041 Ų4114%0.13922%0.223CC..Hα-helixtrans-62.5-51.7173.8175.376000111P21 N26 K27 C28 A32 K33 S34 D79 V80P21-H30 HydrophobicContact CG-CB 4.44Å; N26-H30 WeakPolarHBondContact O-CB 3.49Å; N26-H30 PolarHBondContact O-N 3.06Å; K27-H30 PolarHBondContact O-N 3.09Å; C28-H30 VanDerWaalsContact C-N 3.28Å; C28-H30 PolarHBondContact O-N 2.63Å; H30-A32 VanDerWaalsContact C-N 3.3Å; H30-A32 PolarHBondContact O-N 2.94Å; H30-K33 PolarHBondContact O-N 2.96Å; H30-S34 PolarHBondContact CE1-OG 3.05Å; H30-S34 WeakPolarHBondContact O-CB 3.49Å; H30-S34 PolarHBondContact O-N 3.4Å; H30-S34 PolarHBondContact O-OG 3.45Å; H30-D79 IonicContact CE1-OD1 2.88Å; H30-D79 IonicContact CE1-OD2 3.79Å; H30-D79 IonicContact NE2-OD1 3.21Å; H30-V80 VanDerWaalsContact CE1-CG1 3.5Å; H30-V80 WeakPolarHBondContact CE1-CG1 3.47Å; H30-V80 WeakPolarHBondContact NE2-CG1 3.39Å
31A94.8Very high91.6Very high2 Ų248.3 Ų48.32%0.01726%0.255CS..Hα-helixtrans-57.1-42.9177.700000112.3K27 C28 S34 F35 I76 F89 M90 I93K27-A31 PolarHBondContact O-N 3.11Å; C28-A31 PolarHBondContact O-N 3.21Å; A31-S34 PolarHBondContact O-N 3.39Å; A31-F35 VanDerWaalsContact O-CB 3.3Å; A31-F35 WeakPolarHBondContact O-CB 3.32Å; A31-F35 PolarHBondContact O-N 2.99Å; A31-I76 HydrophobicContact CB-CG2 4.12Å; A31-F89 HydrophobicContact CB-CE1 4.4Å; A31-M90 HydrophobicContact CB-SD 3.89Å; A31-I93 HydrophobicContact CB-CD1 3.78Å
32A95.3Very high92.2Very high0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-62.9-46.6177.300000112.3C28 H30 F35 I36 F115 E116 L119C28-A32 WeakPolarHBondContact O-CB 3.5Å; C28-A32 PolarHBondContact O-N 3.36Å; H30-A32 VanDerWaalsContact C-N 3.3Å; H30-A32 PolarHBondContact O-N 2.94Å; A32-F35 WeakPolarHBondContact O-CB 3.37Å; A32-F35 PolarHBondContact O-N 3.17Å; A32-I36 VanDerWaalsContact O-CG1 3.29Å; A32-I36 WeakPolarHBondContact O-CG1 3.42Å; A32-I36 PolarHBondContact O-N 3.49Å; A32-F115 HydrophobicContact CB-CD1 4.38Å; A32-F115 HydrophobicContact CB-CE1 4.17Å; A32-E116 HydrophobicContact CB-CB 3.92Å; A32-E116 HydrophobicContact CB-CG 3.87Å; A32-L119 HydrophobicContact CB-CD2 4.22Å
33K94.3Very high92.3Very high109 Ų10946.8 Ų46.847%0.47424%0.239SC..Hα-helixtrans-64.2-44.1177.2-74173.5-175.8179.40111.9R29 H30 F35 I36 L37 E116R29-K33 WeakPolarHBondContact O-CB 3.24Å; R29-K33 VanDerWaalsContact O-CG 3.25Å; R29-K33 WeakPolarHBondContact O-CG 3.42Å; R29-K33 PolarHBondContact O-N 3.4Å; H30-K33 PolarHBondContact O-N 2.96Å; K33-F35 VanDerWaalsContact C-N 3.31Å; K33-F35 PolarHBondContact O-N 3.15Å; K33-I36 PolarHBondContact O-N 2.86Å; K33-L37 VanDerWaalsContact O-CG 3.31Å; K33-L37 WeakPolarHBondContact O-CG 3.48Å; K33-L37 PolarHBondContact O-N 3.31Å; K33-E116 WeakPolarHBondContact CE-OE1 3.26Å; K33-E116 WeakPolarHBondContact CE-OE2 3.47Å
34S93.4Very high91.9Very high12 Ų1248.3 Ų48.38%0.08427%0.266CS..Hα-helixtrans-62.8-38.9176.2-64.20000111.6H30 A31 L37 G38H30-S34 PolarHBondContact CE1-OG 3.05Å; H30-S34 WeakPolarHBondContact O-CB 3.49Å; H30-S34 PolarHBondContact O-N 3.4Å; H30-S34 PolarHBondContact O-OG 3.45Å; A31-S34 PolarHBondContact O-N 3.39Å; S34-L37 PolarHBondContact O-N 3.11Å; S34-G38 PolarHBondContact O-N 3.25Å
35F94.5Very high91.5Very high0 Ų049.6 Ų49.60%027%0.268CS..Hα-helixtrans-62.9-45.8172.6-175.9-80.1000111.9A31 A32 K33 L37 G38 F39 Y69 I72 V73 I76 L97 W100 W101 F115A31-F35 VanDerWaalsContact O-CB 3.3Å; A31-F35 WeakPolarHBondContact O-CB 3.32Å; A31-F35 PolarHBondContact O-N 2.99Å; A32-F35 WeakPolarHBondContact O-CB 3.37Å; A32-F35 PolarHBondContact O-N 3.17Å; K33-F35 VanDerWaalsContact C-N 3.31Å; K33-F35 PolarHBondContact O-N 3.15Å; F35-L37 VanDerWaalsContact C-N 3.34Å; F35-L37 PolarHBondContact O-N 3.18Å; F35-G38 CarbonylContact O-C 3.47Å; F35-G38 PolarHBondContact O-N 2.95Å; F35-F39 WeakPolarHBondContact O-CB 3.36Å; F35-F39 PolarHBondContact O-N 2.91Å; F35-Y69 HydrophobicContact CE2-CD2 4.14Å; F35-Y69 HydrophobicContact CE2-CE2 4.17Å; F35-Y69 HydrophobicContact CZ-CD2 4.41Å; F35-I72 HydrophobicContact CB-CG2 4.33Å; F35-I72 HydrophobicContact CD1-CG2 4.25Å; F35-I72 HydrophobicContact CD2-CG2 3.45Å; F35-I72 VanDerWaalsContact CD2-CG2 3.45Å; F35-I72 HydrophobicContact CE1-CG2 4.41Å; F35-I72 HydrophobicContact CE2-CB 4.32Å; F35-I72 HydrophobicContact CE2-CG2 3.64Å; F35-I72 HydrophobicContact CG-CG2 3.76Å; F35-I72 HydrophobicContact CZ-CG2 4.12Å; F35-I72 WeakPolarHBondContact O-CG2 3.35Å; F35-V73 HydrophobicContact CD2-CG2 4.37Å; F35-V73 HydrophobicContact CE2-CG2 4.13Å; F35-I76 HydrophobicContact CB-CD1 4.19Å; F35-I76 HydrophobicContact CB-CG1 4.39Å; F35-I76 HydrophobicContact CD2-CD1 4.07Å; F35-L97 HydrophobicContact CD2-CD2 4.36Å; F35-W100 HydrophobicContact CE1-CE3 4.43Å; F35-W100 HydrophobicContact CE1-CH2 4.46Å; F35-W100 AromaticContact CE1-CZ3 3.76Å; F35-W100 HydrophobicContact CE1-CZ3 3.76Å; F35-W100 HydrophobicContact CZ-CZ3 4.1Å; F35-W101 HydrophobicContact CE1-CE3 4.49Å; F35-W101 HydrophobicContact CE1-CZ3 4.47Å; F35-W101 AromaticContact CZ-CE3 3.82Å; F35-W101 HydrophobicContact CZ-CE3 3.82Å; F35-W101 HydrophobicContact CZ-CZ3 4.01Å; F35-F115 HydrophobicContact CB-CE1 3.84Å; F35-F115 HydrophobicContact CB-CZ 4.39Å; F35-F115 HydrophobicContact CD1-CD1 4.01Å; F35-F115 AromaticContact CD1-CE1 3.38Å; F35-F115 HydrophobicContact CD1-CE1 3.38Å; F35-F115 AromaticContact CD1-CZ 3.65Å; F35-F115 HydrophobicContact CD1-CZ 3.65Å; F35-F115 HydrophobicContact CD2-CZ 4.45Å; F35-F115 HydrophobicContact CE1-CE1 4.13Å; F35-F115 HydrophobicContact CE1-CZ 4.03Å; F35-F115 AromaticContact CG-CE1 3.71Å; F35-F115 HydrophobicContact CG-CE1 3.71Å; F35-F115 AromaticContact CG-CZ 3.91Å; F35-F115 HydrophobicContact CG-CZ 3.91Å
36I92.7Very high90.7Very high33 Ų3354 Ų5417%0.16929%0.291CS..Hα-helixtrans-60.4-43.4176.3-68.9163.6000110.9A32 K33 F39 H40 I112 F115 E116A32-I36 VanDerWaalsContact O-CG1 3.29Å; A32-I36 WeakPolarHBondContact O-CG1 3.42Å; A32-I36 PolarHBondContact O-N 3.49Å; K33-I36 PolarHBondContact O-N 2.86Å; I36-F39 WeakPolarHBondContact O-CB 3.47Å; I36-F39 PolarHBondContact O-N 3.38Å; I36-H40 PolarHBondContact O-CD2 2.84Å; I36-H40 PolarHBondContact O-N 3.13Å; I36-I112 HydrophobicContact CG1-CD1 4.01Å; I36-I112 HydrophobicContact CG1-CG1 4.21Å; I36-I112 HydrophobicContact CG2-CG1 4.41Å; I36-F115 HydrophobicContact CD1-CD1 4.14Å; I36-F115 HydrophobicContact CG1-CD1 3.86Å; I36-E116 HydrophobicContact CD1-CB 4.49Å
37L91.7Very high90Very high118 Ų11853.6 Ų53.662%0.61829%0.287SS*.Hα-helixtrans-61.8-45.3175.4-70.9172.7000111.5K33 S34 F35 F39 H40 K41K33-L37 VanDerWaalsContact O-CG 3.31Å; K33-L37 WeakPolarHBondContact O-CG 3.48Å; K33-L37 PolarHBondContact O-N 3.31Å; S34-L37 PolarHBondContact O-N 3.11Å; F35-L37 VanDerWaalsContact C-N 3.34Å; F35-L37 PolarHBondContact O-N 3.18Å; L37-F39 VanDerWaalsContact C-N 3.32Å; L37-F39 PolarHBondContact O-N 3.19Å; L37-H40 PolarHBondContact O-N 3.09Å; L37-K41 VanDerWaalsContact O-CB 3.27Å; L37-K41 WeakPolarHBondContact O-CB 3.48Å; L37-K41 PolarHBondContact O-N 3.5Å
38G91.8Very high88.8Confident17 Ų1754.9 Ų54.918%0.17531%0.311CS..Hα-helixtrans-62.5-37.7174.500000112.8S34 F35 K41 S42S34-G38 PolarHBondContact O-N 3.25Å; F35-G38 CarbonylContact O-C 3.47Å; F35-G38 PolarHBondContact O-N 2.95Å; G38-K41 PolarHBondContact O-N 3.49Å; G38-S42 WeakPolarHBondContact O-CB 2.89Å; G38-S42 PolarHBondContact O-N 3.45Å; G38-S42 PolarHBondContact O-OG 3.01Å
39F90.9Very high87.5Confident16 Ų1656.5 Ų56.57%0.0733%0.328CS..Hα-helixtrans-60.7-49.3175.2177.6-90.1000111.6F35 I36 L37 S42 A43 R68 I72 W101 Y105 I112F35-F39 WeakPolarHBondContact O-CB 3.36Å; F35-F39 PolarHBondContact O-N 2.91Å; I36-F39 WeakPolarHBondContact O-CB 3.47Å; I36-F39 PolarHBondContact O-N 3.38Å; L37-F39 VanDerWaalsContact C-N 3.32Å; L37-F39 PolarHBondContact O-N 3.19Å; F39-S42 PolarHBondContact O-N 3.01Å; F39-S42 PolarHBondContact O-OG 3.15Å; F39-A43 PolarHBondContact O-N 3.08Å; F39-R68 VanDerWaalsContact CE2-NH2 3.32Å; F39-R68 PolarHBondContact O-NH2 3.16Å; F39-I72 HydrophobicContact CB-CD1 4.14Å; F39-I72 HydrophobicContact CD2-CD1 4.17Å; F39-W101 HydrophobicContact CD2-CH2 4.31Å; F39-W101 AromaticContact CD2-CZ3 3.92Å; F39-W101 HydrophobicContact CD2-CZ3 3.92Å; F39-W101 HydrophobicContact CE2-CH2 4.33Å; F39-W101 HydrophobicContact CE2-CZ3 4.09Å; F39-Y105 HydrophobicContact CE2-CD2 4.41Å; F39-Y105 AromaticContact CE2-CE1 3.96Å; F39-Y105 HydrophobicContact CE2-CE1 3.96Å; F39-Y105 AromaticContact CE2-CE2 3.66Å; F39-Y105 HydrophobicContact CE2-CE2 3.66Å; F39-Y105 AromaticContact CE2-CZ 3.4Å; F39-Y105 WeakPolarHBondContact CE2-OH 3.25Å; F39-Y105 AromaticContact CZ-CE2 3.62Å; F39-Y105 HydrophobicContact CZ-CE2 3.62Å; F39-Y105 AromaticContact CZ-CZ 3.59Å; F39-Y105 VanDerWaalsContact CZ-OH 3.26Å; F39-Y105 WeakPolarHBondContact CZ-OH 3.38Å; F39-I112 HydrophobicContact CB-CD1 4.26Å; F39-I112 HydrophobicContact CD1-CB 4.5Å; F39-I112 HydrophobicContact CD1-CD1 4.04Å; F39-I112 HydrophobicContact CD1-CG1 3.82Å; F39-I112 HydrophobicContact CD2-CD1 4.24Å; F39-I112 HydrophobicContact CE1-CB 4.25Å; F39-I112 HydrophobicContact CE1-CD1 4.46Å; F39-I112 HydrophobicContact CE1-CG1 4.08Å; F39-I112 HydrophobicContact CE1-CG2 4.37Å; F39-I112 HydrophobicContact CG-CD1 3.92Å; F39-I112 HydrophobicContact CG-CG1 4.22Å
40H90.7Very high86Confident113 Ų11357.4 Ų57.452%0.52336%0.357SS..Hα-helixtrans-66.3-39.8176.1-69.5-60.3000111.9I36 L37 S42 A43I36-H40 PolarHBondContact O-CD2 2.84Å; I36-H40 PolarHBondContact O-N 3.13Å; L37-H40 PolarHBondContact O-N 3.09Å; H40-S42 VanDerWaalsContact C-N 3.31Å; H40-S42 PolarHBondContact O-N 2.95Å; H40-A43 WeakPolarHBondContact O-CB 3.44Å; H40-A43 PolarHBondContact O-N 3.16Å
41K89.5Confident84.9Confident173 Ų17361.5 Ų61.575%0.75238%0.38SS*.Hα-helixtrans-64.6-33177.7-172.2179.9-179.9-1770113L37 G38L37-K41 VanDerWaalsContact O-CB 3.27Å; L37-K41 WeakPolarHBondContact O-CB 3.48Å; L37-K41 PolarHBondContact O-N 3.5Å; G38-K41 PolarHBondContact O-N 3.49Å
42S87.8Confident83.4Confident2 Ų264.7 Ų64.71%0.01440%0.402CS..Hα-helixtrans-84.6-9.4178.561.80000114G38 F39 H40 G44 K45 R68G38-S42 WeakPolarHBondContact O-CB 2.89Å; G38-S42 PolarHBondContact O-N 3.45Å; G38-S42 PolarHBondContact O-OG 3.01Å; F39-S42 PolarHBondContact O-N 3.01Å; F39-S42 PolarHBondContact O-OG 3.15Å; H40-S42 VanDerWaalsContact C-N 3.31Å; H40-S42 PolarHBondContact O-N 2.95Å; S42-G44 PolarHBondContact O-N 2.96Å; S42-G44 VanDerWaalsContact O-N 3.12Å; S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.11Å; S42-R68 PolarHBondContact OG-NE 2.94Å
43A84.2Confident82.1Confident68 Ų6871.3 Ų71.356%0.56244%0.437SS*.THydrogen-bonded Turntrans-59.1-28.7-173.500000114.3F39 H40F39-A43 PolarHBondContact O-N 3.08Å; H40-A43 WeakPolarHBondContact O-CB 3.44Å; H40-A43 PolarHBondContact O-N 3.16Å
44G81Confident81.1Confident81 Ų8172.9 Ų72.984%0.83544%0.44SS*.THydrogen-bonded Turntrans-94.86.2177.200000115.3S42S42-G44 PolarHBondContact O-N 2.96Å; S42-G44 VanDerWaalsContact O-N 3.12Å
45K82.7Confident79.8Confident104 Ų10473 Ų7345%0.45244%0.439SS..  trans-87.7167.3179.6-65.6-176.2177.4-175.10111.7S42 Y62S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.11Å; K45-Y62 HydrophobicContact CB-CD1 4.42Å; K45-Y62 HydrophobicContact CB-CE1 3.57Å; K45-Y62 WeakPolarHBondContact O-CD1 3.34Å
46N79.3Confident78.5Confident95 Ų9579.2 Ų79.251%0.50847%0.468SS..  trans-135.3-177.4172.256.920.1000108.7G48N46-G48 PolarHBondContact O-N 3.32Å; N46-G48 WeakPolarHBondContact OD1-CA 3.27Å; N46-G48 PolarHBondContact OD1-N 3.39Å
47F77.6Confident77.6Confident50 Ų5086.1 Ų86.122%0.21950%0.497CS..  trans-64.8-2.2178.3-66-77.3000114G49 E55 L59 G60 Y62 V67F47-G49 VanDerWaalsContact C-N 3.32Å; F47-G49 PolarHBondContact O-N 3Å; F47-E55 HydrophobicContact CB-CG 4.5Å; F47-E55 HydrophobicContact CD2-CB 4.01Å; F47-L59 HydrophobicContact CB-CD1 4.46Å; F47-L59 HydrophobicContact CD1-CD1 4.15Å; F47-L59 HydrophobicContact CD2-CB 4.38Å; F47-L59 HydrophobicContact CD2-CD1 4.09Å; F47-L59 HydrophobicContact CE1-CB 4.27Å; F47-L59 HydrophobicContact CE1-CD1 4.39Å; F47-L59 HydrophobicContact CE2-CB 3.79Å; F47-L59 HydrophobicContact CE2-CD1 4.32Å; F47-L59 HydrophobicContact CG-CD1 3.99Å; F47-L59 HydrophobicContact CZ-CB 3.73Å; F47-L59 HydrophobicContact CZ-CD1 4.46Å; F47-G60 WeakPolarHBondContact CE2-O 3.35Å; F47-Y62 AromaticContact CD1-CD2 3.98Å; F47-Y62 HydrophobicContact CD1-CD2 3.98Å; F47-Y62 HydrophobicContact CE1-CD2 4.12Å; F47-Y62 HydrophobicContact CG-CD2 4.2Å; F47-Y62 HydrophobicContact CZ-CD2 4.48Å; F47-V67 HydrophobicContact CD1-CB 4.3Å; F47-V67 HydrophobicContact CD1-CG2 4.21Å; F47-V67 HydrophobicContact CE1-CB 4.22Å; F47-V67 HydrophobicContact CE1-CG2 4.08Å
48G69.2Low76.8Confident66 Ų6685.9 Ų85.968%0.6849%0.492SS*.SBendtrans7810.5175.800000114.7N46N46-G48 PolarHBondContact O-N 3.32Å; N46-G48 WeakPolarHBondContact OD1-CA 3.27Å; N46-G48 PolarHBondContact OD1-N 3.39Å
49G66.9Low75.9Confident35 Ų3589.5 Ų89.536%0.36151%0.507SS..  trans-99.6162.2174.500000113.3F47 N51 E55F47-G49 VanDerWaalsContact C-N 3.32Å; F47-G49 PolarHBondContact O-N 3Å; G49-N51 VanDerWaalsContact C-N 3.27Å; G49-N51 PolarHBondContact O-N 3.1Å; G49-E55 WeakPolarHBondContact CA-OE1 3.44Å; G49-E55 PolarHBondContact N-OE1 3.27Å
50G65Low75.2Confident82 Ų8290.3 Ų90.385%0.84552%0.52SS*.SBendtrans-73.6-12.5-171.300000115.1
51N69.2Low74.8Confident116 Ų11688 Ų8862%0.6252%0.517SS*.  trans-125.781.5-172.3-73.3-10.8000111.5G49 L53 W54 E55G49-N51 VanDerWaalsContact C-N 3.27Å; G49-N51 PolarHBondContact O-N 3.1Å; N51-L53 VanDerWaalsContact C-N 3.26Å; N51-L53 PolarHBondContact O-N 3.42Å; N51-L53 VanDerWaalsContact O-N 3.16Å; N51-W54 HydrophobicContact CB-CB 4.03Å; N51-W54 PolarHBondContact O-N 3.42Å; N51-E55 WeakPolarHBondContact O-CG 3.04Å; N51-E55 PolarHBondContact O-N 3.17Å; N51-E55 VanDerWaalsContact O-N 3.14Å
52S64.5Low74.6Confident68 Ų6880.6 Ų80.648%0.47648%0.484SS..Hα-helixtrans-52.3-38.317952.40000114.2E55 E56S52-E55 PolarHBondContact O-N 2.73Å; S52-E56 WeakPolarHBondContact O-CG 3.49Å; S52-E56 PolarHBondContact O-N 3.05Å
53L68Low74.4Confident140 Ų14082.8 Ų82.873%0.73350%0.499SS*.Hα-helixtrans-67.1-35.3178.6-71.6172.1000113.7N51 K57N51-L53 VanDerWaalsContact C-N 3.26Å; N51-L53 PolarHBondContact O-N 3.42Å; N51-L53 VanDerWaalsContact O-N 3.16Å; L53-K57 WeakPolarHBondContact O-CB 3.41Å; L53-K57 PolarHBondContact O-N 3.34Å
54W73.3Confident74.4Confident142 Ų14281.3 Ų81.354%0.53848%0.484SS..Hα-helixtrans-70.4-42.2175.1-18094.5000109.7N51 K57 H58 L59N51-W54 HydrophobicContact CB-CB 4.03Å; N51-W54 PolarHBondContact O-N 3.42Å; W54-K57 PolarHBondContact O-N 2.76Å; W54-H58 AromaticContact CD1-CE1 3.38Å; W54-H58 AromaticContact CD1-ND1 3.52Å; W54-H58 AromaticContact CD2-ND1 3.72Å; W54-H58 AromaticContact CE2-CE1 3.91Å; W54-H58 AromaticContact CE2-CG 3.97Å; W54-H58 AromaticContact CE2-ND1 3.59Å; W54-H58 AromaticContact CG-CE1 3.99Å; W54-H58 AromaticContact CG-ND1 3.68Å; W54-H58 HydrophobicContact CH2-CB 4.49Å; W54-H58 HydrophobicContact CZ2-CB 4.39Å; W54-H58 AromaticContact NE1-CE1 3.3Å; W54-H58 PolarHBondContact NE1-CE1 2.88Å; W54-H58 VanDerWaalsContact NE1-CE1 3.3Å; W54-H58 AromaticContact NE1-ND1 3.45Å; W54-H58 PolarHBondContact NE1-ND1 3.33Å; W54-H58 AromaticContact NE1-NE2 3.9Å; W54-H58 PolarHBondContact O-N 3.07Å; W54-H58 VanDerWaalsContact O-N 3.07Å; W54-H58 PolarHBondContact O-ND1 3.36Å; W54-L59 HydrophobicContact CZ3-CD1 4.29Å; W54-L59 HydrophobicContact CZ3-CG 4.49Å
55E65.4Low74.7Confident15 Ų1578 Ų787%0.0745%0.447CS..Hα-helixtrans-64.4-47.3-179.9-67.9164.6-161.100111.8F47 G49 N51 S52 K57 H58 L59F47-E55 HydrophobicContact CB-CG 4.5Å; F47-E55 HydrophobicContact CD2-CB 4.01Å; G49-E55 WeakPolarHBondContact CA-OE1 3.44Å; G49-E55 PolarHBondContact N-OE1 3.27Å; N51-E55 WeakPolarHBondContact O-CG 3.04Å; N51-E55 PolarHBondContact O-N 3.17Å; N51-E55 VanDerWaalsContact O-N 3.14Å; S52-E55 PolarHBondContact O-N 2.73Å; E55-K57 VanDerWaalsContact C-N 3.28Å; E55-K57 PolarHBondContact O-N 3.33Å; E55-H58 PolarHBondContact O-N 3.33Å; E55-L59 HydrophobicContact CB-CD1 4.27Å; E55-L59 HydrophobicContact CG-CD1 4.26Å; E55-L59 WeakPolarHBondContact O-CA 3.39Å; E55-L59 VanDerWaalsContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CB 3.32Å; E55-L59 PolarHBondContact O-N 3.45Å
56E66.7Low75Confident130 Ų13078.5 Ų78.561%0.60745%0.451SS*.Hα-helixtrans-61.5-37.8177.3-75.6-178.617600112.2S52 G60S52-E56 WeakPolarHBondContact O-CG 3.49Å; S52-E56 PolarHBondContact O-N 3.05Å; E56-G60 WeakPolarHBondContact O-CA 3.18Å; E56-G60 PolarHBondContact O-N 3.29Å
57K73.5Confident75.6Confident178 Ų17877.4 Ų77.477%0.77445%0.448SS*.Hα-helixtrans-72.2-32.7-179-171.5175.4-178.6-179.20113.3L53 W54 E55L53-K57 WeakPolarHBondContact O-CB 3.41Å; L53-K57 PolarHBondContact O-N 3.34Å; W54-K57 PolarHBondContact O-N 2.76Å; E55-K57 VanDerWaalsContact C-N 3.28Å; E55-K57 PolarHBondContact O-N 3.33Å
58H75.7Confident76.2Confident113 Ų11375.3 Ų75.352%0.52344%0.439SS..Hα-helixtrans-106.9-31.4-173.2-62.288000113.9W54 E55W54-H58 AromaticContact CD1-CE1 3.38Å; W54-H58 AromaticContact CD1-ND1 3.52Å; W54-H58 AromaticContact CD2-ND1 3.72Å; W54-H58 AromaticContact CE2-CE1 3.91Å; W54-H58 AromaticContact CE2-CG 3.97Å; W54-H58 AromaticContact CE2-ND1 3.59Å; W54-H58 AromaticContact CG-CE1 3.99Å; W54-H58 AromaticContact CG-ND1 3.68Å; W54-H58 HydrophobicContact CH2-CB 4.49Å; W54-H58 HydrophobicContact CZ2-CB 4.39Å; W54-H58 AromaticContact NE1-CE1 3.3Å; W54-H58 PolarHBondContact NE1-CE1 2.88Å; W54-H58 VanDerWaalsContact NE1-CE1 3.3Å; W54-H58 AromaticContact NE1-ND1 3.45Å; W54-H58 PolarHBondContact NE1-ND1 3.33Å; W54-H58 AromaticContact NE1-NE2 3.9Å; W54-H58 PolarHBondContact O-N 3.07Å; W54-H58 VanDerWaalsContact O-N 3.07Å; W54-H58 PolarHBondContact O-ND1 3.36Å; E55-H58 PolarHBondContact O-N 3.33Å
59L72.2Confident77.4Confident92 Ų9272.6 Ų72.648%0.48241%0.408SS..Hα-helixtrans-107.2-11.6-175.1-54175.2000112.9F47 W54 E55F47-L59 HydrophobicContact CB-CD1 4.46Å; F47-L59 HydrophobicContact CD1-CD1 4.15Å; F47-L59 HydrophobicContact CD2-CB 4.38Å; F47-L59 HydrophobicContact CD2-CD1 4.09Å; F47-L59 HydrophobicContact CE1-CB 4.27Å; F47-L59 HydrophobicContact CE1-CD1 4.39Å; F47-L59 HydrophobicContact CE2-CB 3.79Å; F47-L59 HydrophobicContact CE2-CD1 4.32Å; F47-L59 HydrophobicContact CG-CD1 3.99Å; F47-L59 HydrophobicContact CZ-CB 3.73Å; F47-L59 HydrophobicContact CZ-CD1 4.46Å; W54-L59 HydrophobicContact CZ3-CD1 4.29Å; W54-L59 HydrophobicContact CZ3-CG 4.49Å; E55-L59 HydrophobicContact CB-CD1 4.27Å; E55-L59 HydrophobicContact CG-CD1 4.26Å; E55-L59 WeakPolarHBondContact O-CA 3.39Å; E55-L59 VanDerWaalsContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CB 3.32Å; E55-L59 PolarHBondContact O-N 3.45Å
60G77.6Confident78.6Confident34 Ų3474.8 Ų74.835%0.35141%0.408SS..  trans77.7-162.6-174.600000112.6F47 E56F47-G60 WeakPolarHBondContact CE2-O 3.35Å; E56-G60 WeakPolarHBondContact O-CA 3.18Å; E56-G60 PolarHBondContact O-N 3.29Å
61S82.2Confident79.9Confident64 Ų6473.8 Ų73.845%0.44838%0.384SS..  trans-79.3126.8-179.6-174.80000111.6S63 V64 S65S61-S63 PolarHBondContact O-N 3.32Å; S61-S63 PolarHBondContact OG-N 3.14Å; S61-S63 PolarHBondContact OG-OG 3.4Å; S61-V64 PolarHBondContact O-N 2.94Å; S61-S65 PolarHBondContact O-N 3Å
62Y84.6Confident81Confident17 Ų1768.3 Ų68.37%0.06736%0.355CS..G310 helixtrans-52.7-36.8172.4175.5-98.2000111.9K45 F47 V64 S65 V67 R68 D71K45-Y62 HydrophobicContact CB-CD1 4.42Å; K45-Y62 HydrophobicContact CB-CE1 3.57Å; K45-Y62 WeakPolarHBondContact O-CD1 3.34Å; F47-Y62 AromaticContact CD1-CD2 3.98Å; F47-Y62 HydrophobicContact CD1-CD2 3.98Å; F47-Y62 HydrophobicContact CE1-CD2 4.12Å; F47-Y62 HydrophobicContact CG-CD2 4.2Å; F47-Y62 HydrophobicContact CZ-CD2 4.48Å; Y62-V64 PolarHBondContact O-N 3.07Å; Y62-V64 VanDerWaalsContact O-N 3.09Å; Y62-S65 WeakPolarHBondContact O-CB 3.32Å; Y62-S65 PolarHBondContact O-N 3.12Å; Y62-S65 PolarHBondContact O-OG 2.74Å; Y62-V67 HydrophobicContact CE2-CG1 4.3Å; Y62-R68 HydrophobicContact CD1-CB 4.25Å; Y62-R68 HydrophobicContact CD1-CG 4.33Å; Y62-R68 HydrophobicContact CD2-CB 4.26Å; Y62-R68 HydrophobicContact CE1-CB 3.8Å; Y62-R68 HydrophobicContact CE1-CG 3.66Å; Y62-R68 HydrophobicContact CE2-CB 3.84Å; Y62-R68 HydrophobicContact CG-CB 4.46Å; Y62-R68 VanDerWaalsContact O-CB 3.25Å; Y62-R68 WeakPolarHBondContact O-CB 3.35Å; Y62-R68 WeakPolarHBondContact O-CD 3.06Å; Y62-D71 PolarHBondContact OH-OD2 2.05Å
63S82.8Confident82.5Confident48 Ų4866.7 Ų66.734%0.33634%0.341SS..G310 helixtrans-54.6-31.4-17867.40000114.3S61 R68 Y105S61-S63 PolarHBondContact O-N 3.32Å; S61-S63 PolarHBondContact OG-N 3.14Å; S61-S63 PolarHBondContact OG-OG 3.4Å; S63-R68 WeakPolarHBondContact O-CD 3.07Å; S63-R68 PolarHBondContact O-NH1 3.04Å; S63-Y105 WeakPolarHBondContact O-CE1 3.2Å
64V84Confident83.6Confident38 Ų3867 Ų6723%0.2334%0.34CS..G310 helixtrans-117.211.7179.4-62.50000112.7S61 Y62 Y105 R106S61-V64 PolarHBondContact O-N 2.94Å; Y62-V64 PolarHBondContact O-N 3.07Å; Y62-V64 VanDerWaalsContact O-N 3.09Å; V64-Y105 HydrophobicContact CG1-CD1 4.43Å; V64-Y105 HydrophobicContact CG1-CE1 3.92Å; V64-R106 PolarHBondContact O-NH2 2.92Å
65S88.1Confident84.5Confident10 Ų1061.8 Ų61.87%0.0733%0.33CS..SBendtrans-74.7156.6-177.772.60000112.1S61 Y62 V67 R68 Y69 W101S61-S65 PolarHBondContact O-N 3Å; Y62-S65 WeakPolarHBondContact O-CB 3.32Å; Y62-S65 PolarHBondContact O-N 3.12Å; Y62-S65 PolarHBondContact O-OG 2.74Å; S65-V67 VanDerWaalsContact C-N 3.31Å; S65-R68 PolarHBondContact OG-N 3.36Å; S65-Y69 PolarHBondContact O-N 2.67Å; S65-W101 WeakPolarHBondContact O-CZ2 3.41Å; S65-W101 PolarHBondContact O-NE1 3.45Å; S65-W101 VanDerWaalsContact O-NE1 3.11Å
66E89.9Confident85.8Confident116 Ų11661.1 Ų61.154%0.54233%0.327SS..Hα-helixtrans-67-33.2172-165.9-169.4147.600111.9R68 Y69 H70E66-R68 PolarHBondContact O-N 2.04Å; E66-Y69 VanDerWaalsContact O-CB 3.32Å; E66-Y69 WeakPolarHBondContact O-CB 3.24Å; E66-Y69 PolarHBondContact O-N 3.49Å; E66-Y69 VanDerWaalsContact O-N 3.1Å; E66-H70 PolarHBondContact O-CD2 3.02Å; E66-H70 VanDerWaalsContact O-CD2 3.29Å; E66-H70 PolarHBondContact O-N 3.25Å; E66-H70 IonicContact OE1-CD2 3.02Å; E66-H70 IonicContact OE1-NE2 2.9Å; E66-H70 PolarHBondContact OE1-NE2 2.92Å
67V90.1Very high87.1Confident72 Ų7255.3 Ų55.344%0.43630%0.3SS..Hα-helixtrans-60-45.4177-179.80000111.1F47 Y62 S65 Y69 H70 D71F47-V67 HydrophobicContact CD1-CB 4.3Å; F47-V67 HydrophobicContact CD1-CG2 4.21Å; F47-V67 HydrophobicContact CE1-CB 4.22Å; F47-V67 HydrophobicContact CE1-CG2 4.08Å; Y62-V67 HydrophobicContact CE2-CG1 4.3Å; S65-V67 VanDerWaalsContact C-N 3.31Å; V67-Y69 VanDerWaalsContact C-N 3.28Å; V67-Y69 PolarHBondContact O-N 2.9Å; V67-H70 PolarHBondContact O-N 3.26Å; V67-D71 PolarHBondContact O-N 2.86Å
68R91.6Very high87.8Confident6 Ų651.3 Ų51.32%0.02329%0.294CS..Hα-helixtrans-62.2-37.4175.7-176.5179.1178.5-149.30.4111.9F39 S42 Y62 S63 S65 E66 I72 W101 Y105F39-R68 VanDerWaalsContact CE2-NH2 3.32Å; F39-R68 PolarHBondContact O-NH2 3.16Å; S42-R68 PolarHBondContact OG-NE 2.94Å; Y62-R68 HydrophobicContact CD1-CB 4.25Å; Y62-R68 HydrophobicContact CD1-CG 4.33Å; Y62-R68 HydrophobicContact CD2-CB 4.26Å; Y62-R68 HydrophobicContact CE1-CB 3.8Å; Y62-R68 HydrophobicContact CE1-CG 3.66Å; Y62-R68 HydrophobicContact CE2-CB 3.84Å; Y62-R68 HydrophobicContact CG-CB 4.46Å; Y62-R68 VanDerWaalsContact O-CB 3.25Å; Y62-R68 WeakPolarHBondContact O-CB 3.35Å; Y62-R68 WeakPolarHBondContact O-CD 3.06Å; S63-R68 WeakPolarHBondContact O-CD 3.07Å; S63-R68 PolarHBondContact O-NH1 3.04Å; S65-R68 PolarHBondContact OG-N 3.36Å; E66-R68 PolarHBondContact O-N 2.04Å; R68-I72 HydrophobicContact CG-CD1 3.99Å; R68-I72 WeakPolarHBondContact O-CD1 3.41Å; R68-I72 WeakPolarHBondContact O-CG1 3.29Å; R68-I72 PolarHBondContact O-N 3.4Å; R68-W101 HydrophobicContact CB-CH2 4.48Å; R68-W101 HydrophobicContact CB-CZ2 4.2Å; R68-W101 HydrophobicContact CG-CH2 4.07Å; R68-W101 HydrophobicContact CG-CZ2 4.29Å; R68-Y105 PolarHBondContact NH1-OH 3.02Å
69Y92.9Very high88.2Confident9 Ų948.6 Ų48.64%0.03528%0.284CS..Hα-helixtrans-61-50.9175.9167.9-99.8000111.4F35 S65 E66 V67 D71 I72 V73 L97 E98 W101F35-Y69 HydrophobicContact CE2-CD2 4.14Å; F35-Y69 HydrophobicContact CE2-CE2 4.17Å; F35-Y69 HydrophobicContact CZ-CD2 4.41Å; S65-Y69 PolarHBondContact O-N 2.67Å; E66-Y69 VanDerWaalsContact O-CB 3.32Å; E66-Y69 WeakPolarHBondContact O-CB 3.24Å; E66-Y69 PolarHBondContact O-N 3.49Å; E66-Y69 VanDerWaalsContact O-N 3.1Å; V67-Y69 VanDerWaalsContact C-N 3.28Å; V67-Y69 PolarHBondContact O-N 2.9Å; Y69-D71 PolarHBondContact O-N 3.05Å; Y69-I72 WeakPolarHBondContact O-CB 3.02Å; Y69-I72 PolarHBondContact O-N 3.3Å; Y69-I72 VanDerWaalsContact O-N 3.09Å; Y69-V73 HydrophobicContact CD1-CG2 4.41Å; Y69-V73 HydrophobicContact CD2-CG2 4.08Å; Y69-V73 HydrophobicContact CE1-CG2 4.02Å; Y69-V73 HydrophobicContact CE2-CG2 3.67Å; Y69-V73 HydrophobicContact CG-CG2 4.43Å; Y69-V73 WeakPolarHBondContact O-CG2 3.39Å; Y69-V73 PolarHBondContact O-N 3.28Å; Y69-L97 HydrophobicContact CE2-CB 4.09Å; Y69-L97 WeakPolarHBondContact OH-CB 3.34Å; Y69-E98 PolarHBondContact OH-N 3.39Å; Y69-W101 HydrophobicContact CD2-CB 3.72Å; Y69-W101 AromaticContact CD2-CD2 3.88Å; Y69-W101 HydrophobicContact CD2-CD2 3.88Å; Y69-W101 HydrophobicContact CD2-CE3 4.21Å; Y69-W101 AromaticContact CD2-CG 3.65Å; Y69-W101 HydrophobicContact CD2-CG 3.65Å; Y69-W101 HydrophobicContact CE2-CB 4.07Å; Y69-W101 HydrophobicContact CE2-CG 4.47Å; Y69-W101 HydrophobicContact CG-CB 4.48Å; Y69-W101 HydrophobicContact CG-CD2 4.3Å; Y69-W101 HydrophobicContact CG-CG 4.07Å
70H93.2Very high88.8Confident80 Ų8044.6 Ų44.637%0.3726%0.263SS..Hα-helixtrans-61.1-43.3178.1-71.7-56.2000112.2E66 V67 I72 V73 E74E66-H70 PolarHBondContact O-CD2 3.02Å; E66-H70 VanDerWaalsContact O-CD2 3.29Å; E66-H70 PolarHBondContact O-N 3.25Å; E66-H70 IonicContact OE1-CD2 3.02Å; E66-H70 IonicContact OE1-NE2 2.9Å; E66-H70 PolarHBondContact OE1-NE2 2.92Å; V67-H70 PolarHBondContact O-N 3.26Å; H70-I72 PolarHBondContact O-N 3.24Å; H70-I72 VanDerWaalsContact O-N 3.16Å; H70-V73 PolarHBondContact O-N 2.88Å; H70-V73 VanDerWaalsContact O-N 3.17Å; H70-E74 WeakPolarHBondContact O-CB 3.34Å; H70-E74 WeakPolarHBondContact O-CG 3.37Å; H70-E74 PolarHBondContact O-N 3.17Å
71D91.8Very high89.1Confident61 Ų6149.1 Ų49.133%0.32627%0.273SS..Hα-helixtrans-54.8-35.1174.3-79.1-20.1000113Y62 V67 Y69Y62-D71 PolarHBondContact OH-OD2 2.05Å; V67-D71 PolarHBondContact O-N 2.86Å; Y69-D71 PolarHBondContact O-N 3.05Å
72I93.7Very high89.4Confident2 Ų249.5 Ų49.51%0.0127%0.268CS..Hα-helixtrans-77.2-48.3178.7-65.6163.4000109.9F35 F39 R68 Y69 H70 E74 G75 W101F35-I72 HydrophobicContact CB-CG2 4.33Å; F35-I72 HydrophobicContact CD1-CG2 4.25Å; F35-I72 HydrophobicContact CD2-CG2 3.45Å; F35-I72 VanDerWaalsContact CD2-CG2 3.45Å; F35-I72 HydrophobicContact CE1-CG2 4.41Å; F35-I72 HydrophobicContact CE2-CB 4.32Å; F35-I72 HydrophobicContact CE2-CG2 3.64Å; F35-I72 HydrophobicContact CG-CG2 3.76Å; F35-I72 HydrophobicContact CZ-CG2 4.12Å; F35-I72 WeakPolarHBondContact O-CG2 3.35Å; F39-I72 HydrophobicContact CB-CD1 4.14Å; F39-I72 HydrophobicContact CD2-CD1 4.17Å; R68-I72 HydrophobicContact CG-CD1 3.99Å; R68-I72 WeakPolarHBondContact O-CD1 3.41Å; R68-I72 WeakPolarHBondContact O-CG1 3.29Å; R68-I72 PolarHBondContact O-N 3.4Å; Y69-I72 WeakPolarHBondContact O-CB 3.02Å; Y69-I72 PolarHBondContact O-N 3.3Å; Y69-I72 VanDerWaalsContact O-N 3.09Å; H70-I72 PolarHBondContact O-N 3.24Å; H70-I72 VanDerWaalsContact O-N 3.16Å; I72-E74 PolarHBondContact O-N 2.96Å; I72-G75 PolarHBondContact O-N 3.47Å; I72-G75 VanDerWaalsContact O-N 3.08Å; I72-W101 HydrophobicContact CD1-CH2 3.98Å; I72-W101 HydrophobicContact CD1-CZ3 4.01Å
73V94.1Very high89.6Confident33 Ų3350.5 Ų50.520%0.228%0.279CS..Hα-helixtrans-62.8-42.5-176171.30000111.8F35 Y69 H70 G75 I76 M90F35-V73 HydrophobicContact CD2-CG2 4.37Å; F35-V73 HydrophobicContact CE2-CG2 4.13Å; Y69-V73 HydrophobicContact CD1-CG2 4.41Å; Y69-V73 HydrophobicContact CD2-CG2 4.08Å; Y69-V73 HydrophobicContact CE1-CG2 4.02Å; Y69-V73 HydrophobicContact CE2-CG2 3.67Å; Y69-V73 HydrophobicContact CG-CG2 4.43Å; Y69-V73 WeakPolarHBondContact O-CG2 3.39Å; Y69-V73 PolarHBondContact O-N 3.28Å; H70-V73 PolarHBondContact O-N 2.88Å; H70-V73 VanDerWaalsContact O-N 3.17Å; V73-G75 PolarHBondContact O-N 2.88Å; V73-G75 VanDerWaalsContact O-N 3.16Å; V73-I76 HydrophobicContact CB-CD1 4.41Å; V73-I76 HydrophobicContact CG1-CD1 4.45Å; V73-I76 HydrophobicContact CG2-CD1 4.38Å; V73-I76 WeakPolarHBondContact O-CB 3.36Å; V73-I76 PolarHBondContact O-N 3.35Å; V73-I76 VanDerWaalsContact O-N 3.13Å; V73-M90 HydrophobicContact CG1-CE 4.28Å
74E92.1Very high89.9Confident148 Ų14854 Ų5469%0.69230%0.298SS*.THydrogen-bonded Turntrans-58.9-28.1175.2-72.9-177.817500112.6H70 I72H70-E74 WeakPolarHBondContact O-CB 3.34Å; H70-E74 WeakPolarHBondContact O-CG 3.37Å; H70-E74 PolarHBondContact O-N 3.17Å; I72-E74 PolarHBondContact O-N 2.96Å
75G92.3Very high90.3Very high32 Ų3258.1 Ų58.133%0.3331%0.313SS..THydrogen-bonded Turntrans-79.3-15.8179.700000115.2I72 V73 C77 S78I72-G75 PolarHBondContact O-N 3.47Å; I72-G75 VanDerWaalsContact O-N 3.08Å; V73-G75 PolarHBondContact O-N 2.88Å; V73-G75 VanDerWaalsContact O-N 3.16Å; G75-C77 PolarHBondContact O-N 3.37Å; G75-S78 WeakPolarHBondContact O-CB 3.46Å; G75-S78 PolarHBondContact O-N 2.94Å; G75-S78 PolarHBondContact O-OG 2.81Å
76I93.1Very high90.6Very high1 Ų157.7 Ų57.71%0.00531%0.311CS..THydrogen-bonded Turntrans-62.2-41.1-167.4-70.3168.9000113A31 F35 V73 M90A31-I76 HydrophobicContact CB-CG2 4.12Å; F35-I76 HydrophobicContact CB-CD1 4.19Å; F35-I76 HydrophobicContact CB-CG1 4.39Å; F35-I76 HydrophobicContact CD2-CD1 4.07Å; V73-I76 HydrophobicContact CB-CD1 4.41Å; V73-I76 HydrophobicContact CG1-CD1 4.45Å; V73-I76 HydrophobicContact CG2-CD1 4.38Å; V73-I76 WeakPolarHBondContact O-CB 3.36Å; V73-I76 PolarHBondContact O-N 3.35Å; V73-I76 VanDerWaalsContact O-N 3.13Å; I76-M90 HydrophobicContact CB-SD 4.31Å; I76-M90 HydrophobicContact CD1-CE 3.38Å; I76-M90 HydrophobicContact CD1-SD 4.01Å; I76-M90 HydrophobicContact CG2-CE 4.37Å; I76-M90 HydrophobicContact CG2-CG 4.42Å; I76-M90 HydrophobicContact CG2-SD 3.6Å; I76-M90 VanDerWaalsContact CG2-SD 3.6Å
77C92.9Very high90.7Very high7 Ų756.7 Ų56.75%0.04731%0.306CS..THydrogen-bonded Turntrans-97.216.2-175.5-61.90000113.4G75 V80 C86G75-C77 PolarHBondContact O-N 3.37Å; C77-V80 HydrophobicContact CB-CG2 4.4Å; C77-C86 WeakPolarHBondContact CA-SG 3.34Å; C77-C86 HydrophobicContact CB-CB 3.68Å; C77-C86 WeakPolarHBondContact CB-SG 3.38Å; C77-C86 WeakPolarHBondContact SG-CB 3.3Å; C77-C86 CovalentContact SG-SG 2.04Å; C77-C86 PolarHBondContact SG-SG 2.72Å
78S89.3Confident90.9Very high94 Ų9459.7 Ų59.766%0.65732%0.315SS*.THydrogen-bonded Turntrans-78.7-18-173.964.30000114.5G75G75-S78 WeakPolarHBondContact O-CB 3.46Å; G75-S78 PolarHBondContact O-N 2.94Å; G75-S78 PolarHBondContact O-OG 2.81Å
79D83.7Confident91Very high57 Ų5760 Ų6031%0.30532%0.317SS..THydrogen-bonded Turntrans-111.410.2-172.969.2-42.4000114.3L17 T18 H30L17-D79 CarbonylContact C-O 3.45Å; L17-D79 WeakPolarHBondContact CA-O 3.04Å; L17-D79 VanDerWaalsContact CD2-C 3.46Å; L17-D79 WeakPolarHBondContact CD2-O 3.5Å; T18-D79 PolarHBondContact N-O 3.3Å; T18-D79 PolarHBondContact OG1-O 3.45Å; H30-D79 IonicContact CE1-OD1 2.88Å; H30-D79 IonicContact CE1-OD2 3.79Å; H30-D79 IonicContact NE2-OD1 3.21Å
80V85.1Confident91Very high7 Ų760.4 Ų60.44%0.04232%0.319CS..BIsolated β-bridgetrans-109.8142.2-177.9-600000112.7Y20 H30 C77 Q82 C86Y20-V80 HydrophobicContact CD2-CB 4.4Å; Y20-V80 HydrophobicContact CD2-CG1 4.21Å; H30-V80 VanDerWaalsContact CE1-CG1 3.5Å; H30-V80 WeakPolarHBondContact CE1-CG1 3.47Å; H30-V80 WeakPolarHBondContact NE2-CG1 3.39Å; C77-V80 HydrophobicContact CB-CG2 4.4Å; V80-Q82 VanDerWaalsContact C-N 3.29Å; V80-Q82 PolarHBondContact O-N 3.34Å; V80-C86 HydrophobicContact CG2-CB 3.79Å
81K84Confident91Very high130 Ų13063.5 Ų63.557%0.56533%0.333SS*.THydrogen-bonded Turntrans-65.4-30.7177.2-72.2-174.7177.4174.30113.3L17 T18L17-K81 HydrophobicContact CB-CB 4.39Å; L17-K81 HydrophobicContact CB-CD 4.37Å; L17-K81 HydrophobicContact CB-CG 3.35Å; L17-K81 HydrophobicContact CD1-CG 4.17Å; L17-K81 HydrophobicContact CG-CG 4.42Å; L17-K81 VanDerWaalsContact O-CE 3.25Å; L17-K81 WeakPolarHBondContact O-CE 3.03Å; T18-K81 PolarHBondContact O-N 2.7Å
82Q87.9Confident91.1Very high71 Ų7163.6 Ų63.633%0.33234%0.339SS..THydrogen-bonded Turntrans-10860-178.2-64.182.430.100111.6Y20 V80 V84 K85 C86Y20-Q82 VanDerWaalsContact CB-OE1 3.24Å; V80-Q82 VanDerWaalsContact C-N 3.29Å; V80-Q82 PolarHBondContact O-N 3.34Å; Q82-V84 PolarHBondContact O-N 3.14Å; Q82-V84 VanDerWaalsContact O-N 3.15Å; Q82-K85 HydrophobicContact CB-CB 4.25Å; Q82-K85 HydrophobicContact CB-CD 4.2Å; Q82-K85 HydrophobicContact CB-CG 4.33Å; Q82-K85 HydrophobicContact CG-CD 4.49Å; Q82-K85 PolarHBondContact O-N 3.47Å; Q82-C86 PolarHBondContact O-N 3.38Å
83A88.1Confident91.2Very high38 Ų3863.5 Ų63.531%0.31434%0.338SS..Hα-helixtrans-51.4-40-177.400000113.4K85 C86 H87A83-K85 PolarHBondContact O-N 3.23Å; A83-C86 WeakPolarHBondContact O-CA 3.36Å; A83-C86 WeakPolarHBondContact O-CB 3.49Å; A83-C86 PolarHBondContact O-N 3.27Å; A83-C86 VanDerWaalsContact O-N 3.11Å; A83-H87 PolarHBondContact O-CD2 3.22Å; A83-H87 PolarHBondContact O-N 3.17Å
84V90.9Very high91.2Very high121 Ų12167.2 Ų67.273%0.73335%0.353SS*.Hα-helixtrans-58-45.6178.2-179.80000112.2Q82 C86 H87 E88Q82-V84 PolarHBondContact O-N 3.14Å; Q82-V84 VanDerWaalsContact O-N 3.15Å; V84-C86 VanDerWaalsContact C-N 3.29Å; V84-C86 PolarHBondContact O-N 3.46Å; V84-H87 PolarHBondContact O-N 2.04Å; V84-E88 PolarHBondContact O-N 2.87Å
85K91.3Very high91.4Very high125 Ų12566.3 Ų66.354%0.54335%0.349SS..Hα-helixtrans-68.2-32.5178.2-66.6-174.7176.6-175.10112Y20 Q82 A83 F89Y20-K85 HydrophobicContact CD1-CB 3.81Å; Y20-K85 HydrophobicContact CE1-CB 3.81Å; Y20-K85 PolarHBondContact OH-O 3.2Å; Q82-K85 HydrophobicContact CB-CB 4.25Å; Q82-K85 HydrophobicContact CB-CD 4.2Å; Q82-K85 HydrophobicContact CB-CG 4.33Å; Q82-K85 HydrophobicContact CG-CD 4.49Å; Q82-K85 PolarHBondContact O-N 3.47Å; A83-K85 PolarHBondContact O-N 3.23Å; K85-F89 PolarHBondContact O-N 3.18Å; K85-F89 VanDerWaalsContact O-N 3.15Å
86C93.7Very high91.5Very high2 Ų267.4 Ų67.41%0.01435%0.346CS..Hα-helixtrans-65.8-47.5173.5-178.40000111Y20 C77 V80 Q82 A83 V84 E88 F89 M90Y20-C86 HydrophobicContact CD2-CB 3.99Å; Y20-C86 HydrophobicContact CE2-CB 3.56Å; C77-C86 WeakPolarHBondContact CA-SG 3.34Å; C77-C86 HydrophobicContact CB-CB 3.68Å; C77-C86 WeakPolarHBondContact CB-SG 3.38Å; C77-C86 WeakPolarHBondContact SG-CB 3.3Å; C77-C86 CovalentContact SG-SG 2.04Å; C77-C86 PolarHBondContact SG-SG 2.72Å; V80-C86 HydrophobicContact CG2-CB 3.79Å; Q82-C86 PolarHBondContact O-N 3.38Å; A83-C86 WeakPolarHBondContact O-CA 3.36Å; A83-C86 WeakPolarHBondContact O-CB 3.49Å; A83-C86 PolarHBondContact O-N 3.27Å; A83-C86 VanDerWaalsContact O-N 3.11Å; V84-C86 VanDerWaalsContact C-N 3.29Å; V84-C86 PolarHBondContact O-N 3.46Å; C86-E88 PolarHBondContact O-N 3.09Å; C86-F89 WeakPolarHBondContact O-CB 3.41Å; C86-F89 PolarHBondContact O-N 2.74Å; C86-M90 VanDerWaalsContact O-CG 3.31Å; C86-M90 WeakPolarHBondContact O-CG 3.4Å; C86-M90 PolarHBondContact O-N 3.34Å
87H93.5Very high91.6Very high95 Ų9567.4 Ų67.444%0.4435%0.346SS..Hα-helixtrans-62.5-42.3177.7-71.5-62.3000112.6A83 V84 F89 M90 E91A83-H87 PolarHBondContact O-CD2 3.22Å; A83-H87 PolarHBondContact O-N 3.17Å; V84-H87 PolarHBondContact O-N 2.04Å; H87-F89 VanDerWaalsContact C-N 3.28Å; H87-F89 PolarHBondContact O-N 3.08Å; H87-M90 WeakPolarHBondContact O-CB 3.18Å; H87-M90 PolarHBondContact O-N 3.49Å; H87-E91 PolarHBondContact O-N 2.74Å
88E92.9Very high91.6Very high134 Ų13471.1 Ų71.163%0.62636%0.362SS*.Hα-helixtrans-57.7-41.2173.3-177.5-177.3-175.900111.9V84 C86V84-E88 PolarHBondContact O-N 2.87Å; C86-E88 PolarHBondContact O-N 3.09Å
89F94.1Very high91.8Very high14 Ų1468 Ų686%0.06134%0.338CS..Hα-helixtrans-69.6-36.1174.2-179-98.8000112.6Y20 D24 K27 C28 A31 K85 C86 H87 E91 S92 I93 F126Y20-F89 WeakPolarHBondContact OH-CB 3.43Å; Y20-F89 WeakPolarHBondContact OH-CG 3.4Å; D24-F89 HydrophobicContact CB-CE2 4.24Å; K27-F89 VanDerWaalsContact C-CE1 3.5Å; K27-F89 HydrophobicContact CB-CD1 3.82Å; K27-F89 HydrophobicContact CB-CD2 3.89Å; K27-F89 HydrophobicContact CB-CE1 3.67Å; K27-F89 HydrophobicContact CB-CE2 3.74Å; K27-F89 HydrophobicContact CB-CG 3.93Å; K27-F89 HydrophobicContact CB-CZ 3.63Å; K27-F89 HydrophobicContact CD-CB 4.39Å; K27-F89 HydrophobicContact CD-CD2 3.61Å; K27-F89 HydrophobicContact CD-CE2 4.03Å; K27-F89 HydrophobicContact CD-CG 3.97Å; K27-F89 HydrophobicContact CG-CD2 4.41Å; C28-F89 HydrophobicContact CB-CE1 4.34Å; C28-F89 HydrophobicContact CB-CZ 3.93Å; A31-F89 HydrophobicContact CB-CE1 4.4Å; K85-F89 PolarHBondContact O-N 3.18Å; K85-F89 VanDerWaalsContact O-N 3.15Å; C86-F89 WeakPolarHBondContact O-CB 3.41Å; C86-F89 PolarHBondContact O-N 2.74Å; H87-F89 VanDerWaalsContact C-N 3.28Å; H87-F89 PolarHBondContact O-N 3.08Å; F89-E91 VanDerWaalsContact C-N 3.28Å; F89-E91 PolarHBondContact O-N 3.44Å; F89-S92 WeakPolarHBondContact O-CB 3.48Å; F89-S92 PolarHBondContact O-N 2.65Å; F89-S92 PolarHBondContact O-OG 3.06Å; F89-I93 HydrophobicContact CD1-CD1 4.43Å; F89-I93 HydrophobicContact CE1-CD1 3.97Å; F89-I93 HydrophobicContact CE1-CG1 4.49Å; F89-I93 HydrophobicContact CE1-CG2 4.14Å; F89-I93 HydrophobicContact CZ-CG2 4.05Å; F89-I93 PolarHBondContact O-N 3.16Å; F89-F126 HydrophobicContact CE2-CD2 4.3Å; F89-F126 AromaticContact CE2-CE2 3.9Å; F89-F126 HydrophobicContact CE2-CE2 3.9Å; F89-F126 HydrophobicContact CE2-CZ 4.33Å; F89-F126 HydrophobicContact CZ-CD2 4Å; F89-F126 AromaticContact CZ-CE2 3.82Å; F89-F126 HydrophobicContact CZ-CE2 3.82Å
90M94.1Very high92.2Very high16 Ų1665.5 Ų65.58%0.07932%0.324CS..Hα-helixtrans-60.2-38.5177.2-74.4-56.5-54.500112A31 V73 I76 C86 H87 S92 I93 E94 L97A31-M90 HydrophobicContact CB-SD 3.89Å; V73-M90 HydrophobicContact CG1-CE 4.28Å; I76-M90 HydrophobicContact CB-SD 4.31Å; I76-M90 HydrophobicContact CD1-CE 3.38Å; I76-M90 HydrophobicContact CD1-SD 4.01Å; I76-M90 HydrophobicContact CG2-CE 4.37Å; I76-M90 HydrophobicContact CG2-CG 4.42Å; I76-M90 HydrophobicContact CG2-SD 3.6Å; I76-M90 VanDerWaalsContact CG2-SD 3.6Å; C86-M90 VanDerWaalsContact O-CG 3.31Å; C86-M90 WeakPolarHBondContact O-CG 3.4Å; C86-M90 PolarHBondContact O-N 3.34Å; H87-M90 WeakPolarHBondContact O-CB 3.18Å; H87-M90 PolarHBondContact O-N 3.49Å; M90-S92 PolarHBondContact O-N 2.97Å; M90-I93 HydrophobicContact CE-CD1 4.11Å; M90-I93 HydrophobicContact CE-CG1 4.21Å; M90-I93 WeakPolarHBondContact O-CG1 3.43Å; M90-I93 PolarHBondContact O-N 3.34Å; M90-I93 VanDerWaalsContact O-N 3.09Å; M90-I93 HydrophobicContact SD-CD1 3.81Å; M90-I93 HydrophobicContact SD-CG1 4.2Å; M90-E94 PolarHBondContact O-N 2.86Å; M90-L97 HydrophobicContact CE-CD1 3.38Å
91E93.4Very high92.5Very high145 Ų14565.2 Ų65.268%0.67832%0.323SS*.Hα-helixtrans-56.9-35.2173.1-66.9175.2-17500111.8H87 F89 I93H87-E91 PolarHBondContact O-N 2.74Å; F89-E91 VanDerWaalsContact C-N 3.28Å; F89-E91 PolarHBondContact O-N 3.44Å; E91-I93 VanDerWaalsContact C-N 3.31Å; E91-I93 PolarHBondContact O-N 3.17Å
92S92.6Very high92.8Very high63 Ų6362.4 Ų62.444%0.44131%0.313SS..Hα-helixtrans-72.6-19.3179.479.90000114.3F89 M90F89-S92 WeakPolarHBondContact O-CB 3.48Å; F89-S92 PolarHBondContact O-N 2.65Å; F89-S92 PolarHBondContact O-OG 3.06Å; M90-S92 PolarHBondContact O-N 2.97Å
93I95.5Very high92.7Very high0 Ų067.5 Ų67.50%033%0.329CS..Hα-helixtrans-115.7-6.7-177.563.5167.3000114.4A31 F89 M90 E91 H95 H96 L97 L119 T124 F126A31-I93 HydrophobicContact CB-CD1 3.78Å; F89-I93 HydrophobicContact CD1-CD1 4.43Å; F89-I93 HydrophobicContact CE1-CD1 3.97Å; F89-I93 HydrophobicContact CE1-CG1 4.49Å; F89-I93 HydrophobicContact CE1-CG2 4.14Å; F89-I93 HydrophobicContact CZ-CG2 4.05Å; F89-I93 PolarHBondContact O-N 3.16Å; M90-I93 HydrophobicContact CE-CD1 4.11Å; M90-I93 HydrophobicContact CE-CG1 4.21Å; M90-I93 WeakPolarHBondContact O-CG1 3.43Å; M90-I93 PolarHBondContact O-N 3.34Å; M90-I93 VanDerWaalsContact O-N 3.09Å; M90-I93 HydrophobicContact SD-CD1 3.81Å; M90-I93 HydrophobicContact SD-CG1 4.2Å; E91-I93 VanDerWaalsContact C-N 3.31Å; E91-I93 PolarHBondContact O-N 3.17Å; I93-H95 PolarHBondContact O-N 3.05Å; I93-H96 WeakPolarHBondContact O-CA 3.25Å; I93-H96 WeakPolarHBondContact O-CB 3.22Å; I93-H96 PolarHBondContact O-N 3.41Å; I93-L97 HydrophobicContact CD1-CD1 3.92Å; I93-L97 HydrophobicContact CD1-CG 4.37Å; I93-L97 HydrophobicContact CG1-CD1 3.97Å; I93-L97 HydrophobicContact CG1-CG 4.43Å; I93-L97 PolarHBondContact O-N 2.82Å; I93-L119 HydrophobicContact CD1-CD2 4.42Å; I93-T124 HydrophobicContact CG2-CG2 3.88Å; I93-F126 HydrophobicContact CG2-CD2 4.47Å; I93-F126 HydrophobicContact CG2-CE2 3.6Å; I93-F126 HydrophobicContact CG2-CZ 4.46Å
94E94.8Very high92.6Very high111 Ų11167.2 Ų67.252%0.51932%0.323SS..Hα-helixtrans-49.3-52.1-175.6-175.5179.2-175.200112.5M90 H96 L97 E98M90-E94 PolarHBondContact O-N 2.86Å; E94-H96 VanDerWaalsContact C-N 3.26Å; E94-H96 PolarHBondContact O-N 3.48Å; E94-L97 WeakPolarHBondContact O-CB 3.49Å; E94-L97 PolarHBondContact O-N 3.02Å; E94-L97 VanDerWaalsContact O-N 3.09Å; E94-E98 PolarHBondContact O-N 2.81Å
95H95.5Very high92.3Very high129 Ų12962.1 Ų62.160%0.59729%0.291SS*.Hα-helixtrans-58.1-37.3178.4172.7-87.8000112.7I93 D99I93-H95 PolarHBondContact O-N 3.05Å; H95-D99 VanDerWaalsContact O-CB 3.25Å; H95-D99 WeakPolarHBondContact O-CB 3.23Å; H95-D99 PolarHBondContact O-N 3.07Å
96H95.7Very high91.6Very high56 Ų5662.9 Ų62.926%0.25929%0.29SS..Hα-helixtrans-71.9-35179-66.1-71.4000112.4I93 E94 W100 L119 R123 T124I93-H96 WeakPolarHBondContact O-CA 3.25Å; I93-H96 WeakPolarHBondContact O-CB 3.22Å; I93-H96 PolarHBondContact O-N 3.41Å; E94-H96 VanDerWaalsContact C-N 3.26Å; E94-H96 PolarHBondContact O-N 3.48Å; H96-W100 WeakPolarHBondContact O-CB 3.36Å; H96-W100 PolarHBondContact O-N 3.49Å; H96-W100 VanDerWaalsContact O-N 3.11Å; H96-L119 HydrophobicContact CB-CD1 3.81Å; H96-R123 HydrophobicContact CB-CB 4.35Å; H96-R123 PolarHBondContact CE1-O 3.29Å; H96-R123 PolarHBondContact O-NH1 3.44Å; H96-T124 HydrophobicContact CB-CG2 4.29Å
97L94.7Very high90.7Very high1 Ų166.7 Ų66.71%0.00532%0.317CS..Hα-helixtrans-67.6-47.4175.6-68.7172.6000111.4F35 Y69 M90 I93 E94 W100 W101 F115 L119F35-L97 HydrophobicContact CD2-CD2 4.36Å; Y69-L97 HydrophobicContact CE2-CB 4.09Å; Y69-L97 WeakPolarHBondContact OH-CB 3.34Å; M90-L97 HydrophobicContact CE-CD1 3.38Å; I93-L97 HydrophobicContact CD1-CD1 3.92Å; I93-L97 HydrophobicContact CD1-CG 4.37Å; I93-L97 HydrophobicContact CG1-CD1 3.97Å; I93-L97 HydrophobicContact CG1-CG 4.43Å; I93-L97 PolarHBondContact O-N 2.82Å; E94-L97 WeakPolarHBondContact O-CB 3.49Å; E94-L97 PolarHBondContact O-N 3.02Å; E94-L97 VanDerWaalsContact O-N 3.09Å; L97-W100 PolarHBondContact O-N 3.48Å; L97-W101 WeakPolarHBondContact O-CB 3.11Å; L97-W101 PolarHBondContact O-N 3.38Å; L97-F115 HydrophobicContact CD2-CE2 4.16Å; L97-F115 HydrophobicContact CD2-CZ 3.49Å; L97-F115 VanDerWaalsContact CD2-CZ 3.49Å; L97-L119 HydrophobicContact CD2-CD1 4.02Å; L97-L119 HydrophobicContact CD2-CD2 3.61Å; L97-L119 HydrophobicContact CD2-CG 4.47Å; L97-L119 HydrophobicContact CG-CD1 4.39Å
98E93.8Very high89.7Confident84 Ų8469.3 Ų69.339%0.39332%0.324SS..Hα-helixtrans-64-47179.4-169.4-173.1-17600110.9Y69 E94 W100 W101 L102Y69-E98 PolarHBondContact OH-N 3.39Å; E94-E98 PolarHBondContact O-N 2.81Å; E98-W100 VanDerWaalsContact C-N 3.31Å; E98-W100 PolarHBondContact O-N 2.72Å; E98-W101 PolarHBondContact O-N 3.14Å; E98-L102 HydrophobicContact CG-CD1 3.76Å; E98-L102 HydrophobicContact CG-CG 4.26Å; E98-L102 WeakPolarHBondContact O-CB 3.05Å; E98-L102 WeakPolarHBondContact O-CG 3.24Å; E98-L102 PolarHBondContact O-N 2.89Å
99D92.8Very high88.3Confident30 Ų3066.7 Ų66.716%0.1633%0.325CS..Hα-helixtrans-59.4-41.9177.2-176.675.1000111.7H95 R103 R123H95-D99 VanDerWaalsContact O-CB 3.25Å; H95-D99 WeakPolarHBondContact O-CB 3.23Å; H95-D99 PolarHBondContact O-N 3.07Å; D99-R103 VanDerWaalsContact O-CB 3.24Å; D99-R103 WeakPolarHBondContact O-CB 3.4Å; D99-R103 WeakPolarHBondContact O-CG 3.42Å; D99-R103 PolarHBondContact O-N 2.96Å; D99-R103 WeakPolarHBondContact OD1-CD 3.4Å; D99-R103 IonicContact OD1-CZ 3.12Å; D99-R103 IonicContact OD1-NE 2.91Å; D99-R103 PolarHBondContact OD1-NE 3.12Å; D99-R103 IonicContact OD1-NH1 3.47Å; D99-R103 PolarHBondContact OD1-NH1 3.01Å; D99-R103 IonicContact OD1-NH2 3.74Å; D99-R123 IonicContact OD2-CZ 2.7Å; D99-R123 IonicContact OD2-NH1 2.76Å; D99-R123 PolarHBondContact OD2-NH1 2.99Å; D99-R123 IonicContact OD2-NH2 3.44Å; D99-R123 PolarHBondContact OD2-NH2 3.39Å
100W92.4Very high87.2Confident3 Ų371.1 Ų71.11%0.01135%0.349CS..Iπ-helixtrans-63.3-46.4175179.886.4000112.2F35 H96 L97 E98 L102 D104 Y105 I112 F115F35-W100 HydrophobicContact CE1-CE3 4.43Å; F35-W100 HydrophobicContact CE1-CH2 4.46Å; F35-W100 AromaticContact CE1-CZ3 3.76Å; F35-W100 HydrophobicContact CE1-CZ3 3.76Å; F35-W100 HydrophobicContact CZ-CZ3 4.1Å; H96-W100 WeakPolarHBondContact O-CB 3.36Å; H96-W100 PolarHBondContact O-N 3.49Å; H96-W100 VanDerWaalsContact O-N 3.11Å; L97-W100 PolarHBondContact O-N 3.48Å; E98-W100 VanDerWaalsContact C-N 3.31Å; E98-W100 PolarHBondContact O-N 2.72Å; W100-L102 PolarHBondContact O-N 3.19Å; W100-D104 HydrophobicContact CG-CB 4.31Å; W100-D104 WeakPolarHBondContact O-CA 3.47Å; W100-D104 WeakPolarHBondContact O-CB 3.08Å; W100-D104 PolarHBondContact O-N 3.35Å; W100-Y105 HydrophobicContact CH2-CD2 4.11Å; W100-Y105 HydrophobicContact CH2-CG 4.16Å; W100-Y105 HydrophobicContact CZ3-CG 4.3Å; W100-Y105 PolarHBondContact O-N 3.09Å; W100-I112 HydrophobicContact CH2-CD1 3.9Å; W100-F115 HydrophobicContact CB-CE2 4.45Å; W100-F115 AromaticContact CD2-CD2 3.42Å; W100-F115 HydrophobicContact CD2-CD2 3.42Å; W100-F115 VanDerWaalsContact CD2-CD2 3.42Å; W100-F115 AromaticContact CD2-CE2 3.53Å; W100-F115 HydrophobicContact CD2-CE2 3.53Å; W100-F115 AromaticContact CE2-CD2 3.3Å; W100-F115 AromaticContact CE2-CE2 3.95Å; W100-F115 AromaticContact CE3-CD2 3.78Å; W100-F115 HydrophobicContact CE3-CD2 3.78Å; W100-F115 AromaticContact CE3-CE2 3.61Å; W100-F115 HydrophobicContact CE3-CE2 3.61Å; W100-F115 AromaticContact CG-CD2 3.92Å; W100-F115 HydrophobicContact CG-CD2 3.92Å; W100-F115 AromaticContact CG-CE2 3.89Å; W100-F115 HydrophobicContact CG-CE2 3.89Å; W100-F115 HydrophobicContact CH2-CB 4.41Å; W100-F115 AromaticContact CH2-CD2 3.93Å; W100-F115 HydrophobicContact CH2-CD2 3.93Å; W100-F115 HydrophobicContact CH2-CE2 4.45Å; W100-F115 HydrophobicContact CH2-CG 4.25Å; W100-F115 HydrophobicContact CZ2-CB 3.91Å; W100-F115 AromaticContact CZ2-CD2 3.58Å; W100-F115 HydrophobicContact CZ2-CD2 3.58Å; W100-F115 HydrophobicContact CZ2-CE2 4.4Å; W100-F115 HydrophobicContact CZ2-CG 4.02Å; W100-F115 HydrophobicContact CZ3-CD2 4.02Å; W100-F115 HydrophobicContact CZ3-CE2 4.09Å; W100-F115 AromaticContact NE1-CD2 3.68Å
101W90.9Very high86.3Confident2 Ų274.6 Ų74.61%0.00836%0.364CS..Iπ-helixtrans-61.2-47.6-179.7-176.8-99.5000111.8F35 F39 S65 R68 Y69 I72 L97 E98 Y105 R106F35-W101 HydrophobicContact CE1-CE3 4.49Å; F35-W101 HydrophobicContact CE1-CZ3 4.47Å; F35-W101 AromaticContact CZ-CE3 3.82Å; F35-W101 HydrophobicContact CZ-CE3 3.82Å; F35-W101 HydrophobicContact CZ-CZ3 4.01Å; F39-W101 HydrophobicContact CD2-CH2 4.31Å; F39-W101 AromaticContact CD2-CZ3 3.92Å; F39-W101 HydrophobicContact CD2-CZ3 3.92Å; F39-W101 HydrophobicContact CE2-CH2 4.33Å; F39-W101 HydrophobicContact CE2-CZ3 4.09Å; S65-W101 WeakPolarHBondContact O-CZ2 3.41Å; S65-W101 PolarHBondContact O-NE1 3.45Å; S65-W101 VanDerWaalsContact O-NE1 3.11Å; R68-W101 HydrophobicContact CB-CH2 4.48Å; R68-W101 HydrophobicContact CB-CZ2 4.2Å; R68-W101 HydrophobicContact CG-CH2 4.07Å; R68-W101 HydrophobicContact CG-CZ2 4.29Å; Y69-W101 HydrophobicContact CD2-CB 3.72Å; Y69-W101 AromaticContact CD2-CD2 3.88Å; Y69-W101 HydrophobicContact CD2-CD2 3.88Å; Y69-W101 HydrophobicContact CD2-CE3 4.21Å; Y69-W101 AromaticContact CD2-CG 3.65Å; Y69-W101 HydrophobicContact CD2-CG 3.65Å; Y69-W101 HydrophobicContact CE2-CB 4.07Å; Y69-W101 HydrophobicContact CE2-CG 4.47Å; Y69-W101 HydrophobicContact CG-CB 4.48Å; Y69-W101 HydrophobicContact CG-CD2 4.3Å; Y69-W101 HydrophobicContact CG-CG 4.07Å; I72-W101 HydrophobicContact CD1-CH2 3.98Å; I72-W101 HydrophobicContact CD1-CZ3 4.01Å; L97-W101 WeakPolarHBondContact O-CB 3.11Å; L97-W101 PolarHBondContact O-N 3.38Å; E98-W101 PolarHBondContact O-N 3.14Å; W101-Y105 HydrophobicContact CD2-CD1 4.16Å; W101-Y105 AromaticContact CE3-CD1 3.92Å; W101-Y105 HydrophobicContact CE3-CD1 3.92Å; W101-Y105 HydrophobicContact CE3-CG 4.45Å; W101-Y105 HydrophobicContact CH2-CD1 4.1Å; W101-Y105 AromaticContact CH2-CE1 3.91Å; W101-Y105 HydrophobicContact CH2-CE1 3.91Å; W101-Y105 HydrophobicContact CZ2-CD1 4.31Å; W101-Y105 HydrophobicContact CZ2-CE1 4.26Å; W101-Y105 AromaticContact CZ3-CD1 3.9Å; W101-Y105 HydrophobicContact CZ3-CD1 3.9Å; W101-Y105 HydrophobicContact CZ3-CE1 4.05Å; W101-R106 PolarHBondContact O-N 2.04Å
102L89.5Confident86Confident70 Ų7068.3 Ų68.337%0.36634%0.335SS..Iπ-helixtrans-75.4-38.5-174.6-66.4178.7000112.9E98 W100 R106E98-L102 HydrophobicContact CG-CD1 3.76Å; E98-L102 HydrophobicContact CG-CG 4.26Å; E98-L102 WeakPolarHBondContact O-CB 3.05Å; E98-L102 WeakPolarHBondContact O-CG 3.24Å; E98-L102 PolarHBondContact O-N 2.89Å; W100-L102 PolarHBondContact O-N 3.19Å; L102-R106 WeakPolarHBondContact O-CB 3.28Å
103R87.1Confident85.5Confident178 Ų17873.9 Ų73.967%0.67235%0.354SS*.Iπ-helixtrans-98-46.7-173.7-58.8-168.8-178.7178.33.3113.6D99 S107D99-R103 VanDerWaalsContact O-CB 3.24Å; D99-R103 WeakPolarHBondContact O-CB 3.4Å; D99-R103 WeakPolarHBondContact O-CG 3.42Å; D99-R103 PolarHBondContact O-N 2.96Å; D99-R103 WeakPolarHBondContact OD1-CD 3.4Å; D99-R103 IonicContact OD1-CZ 3.12Å; D99-R103 IonicContact OD1-NE 2.91Å; D99-R103 PolarHBondContact OD1-NE 3.12Å; D99-R103 IonicContact OD1-NH1 3.47Å; D99-R103 PolarHBondContact OD1-NH1 3.01Å; D99-R103 IonicContact OD1-NH2 3.74Å; R103-S107 WeakPolarHBondContact O-CB 3.37Å; R103-S107 PolarHBondContact O-OG 3.45Å
104D85.9Confident85.2Confident33 Ų3375.7 Ų75.718%0.17637%0.373CS..Iπ-helixtrans-87-56.4-173.6-83-59.1000112W100 R106 S107 Y108 K111 R123W100-D104 HydrophobicContact CG-CB 4.31Å; W100-D104 WeakPolarHBondContact O-CA 3.47Å; W100-D104 WeakPolarHBondContact O-CB 3.08Å; W100-D104 PolarHBondContact O-N 3.35Å; D104-R106 PolarHBondContact O-N 3.37Å; D104-S107 PolarHBondContact O-N 3.43Å; D104-S107 VanDerWaalsContact O-N 3.14Å; D104-S107 PolarHBondContact O-OG 2.97Å; D104-Y108 PolarHBondContact O-N 3.45Å; D104-K111 HydrophobicContact CB-CD 4.4Å; D104-K111 IonicContact OD1-NZ 2.63Å; D104-K111 PolarHBondContact OD1-NZ 3.49Å; D104-R123 IonicContact OD2-CZ 3.98Å; D104-R123 IonicContact OD2-NH2 3.7Å; D104-R123 PolarHBondContact OD2-NH2 2.97Å
105Y84.8Confident85.1Confident14 Ų1470.4 Ų70.46%0.05535%0.348CS..G310 helixtrans-64.9-43.2-174.1177.2-111.8000112.1F39 S63 V64 R68 W100 W101 S107 Y108F39-Y105 HydrophobicContact CE2-CD2 4.41Å; F39-Y105 AromaticContact CE2-CE1 3.96Å; F39-Y105 HydrophobicContact CE2-CE1 3.96Å; F39-Y105 AromaticContact CE2-CE2 3.66Å; F39-Y105 HydrophobicContact CE2-CE2 3.66Å; F39-Y105 AromaticContact CE2-CZ 3.4Å; F39-Y105 WeakPolarHBondContact CE2-OH 3.25Å; F39-Y105 AromaticContact CZ-CE2 3.62Å; F39-Y105 HydrophobicContact CZ-CE2 3.62Å; F39-Y105 AromaticContact CZ-CZ 3.59Å; F39-Y105 VanDerWaalsContact CZ-OH 3.26Å; F39-Y105 WeakPolarHBondContact CZ-OH 3.38Å; S63-Y105 WeakPolarHBondContact O-CE1 3.2Å; V64-Y105 HydrophobicContact CG1-CD1 4.43Å; V64-Y105 HydrophobicContact CG1-CE1 3.92Å; R68-Y105 PolarHBondContact NH1-OH 3.02Å; W100-Y105 HydrophobicContact CH2-CD2 4.11Å; W100-Y105 HydrophobicContact CH2-CG 4.16Å; W100-Y105 HydrophobicContact CZ3-CG 4.3Å; W100-Y105 PolarHBondContact O-N 3.09Å; W101-Y105 HydrophobicContact CD2-CD1 4.16Å; W101-Y105 AromaticContact CE3-CD1 3.92Å; W101-Y105 HydrophobicContact CE3-CD1 3.92Å; W101-Y105 HydrophobicContact CE3-CG 4.45Å; W101-Y105 HydrophobicContact CH2-CD1 4.1Å; W101-Y105 AromaticContact CH2-CE1 3.91Å; W101-Y105 HydrophobicContact CH2-CE1 3.91Å; W101-Y105 HydrophobicContact CZ2-CD1 4.31Å; W101-Y105 HydrophobicContact CZ2-CE1 4.26Å; W101-Y105 AromaticContact CZ3-CD1 3.9Å; W101-Y105 HydrophobicContact CZ3-CD1 3.9Å; W101-Y105 HydrophobicContact CZ3-CE1 4.05Å; Y105-S107 PolarHBondContact O-N 3.45Å; Y105-Y108 CarbonylContact O-C 3.57Å; Y105-Y108 PolarHBondContact O-N 3.18Å
106R75.5Confident85Confident140 Ų14066.6 Ų66.653%0.52833%0.33SS..G310 helixtrans-59.8-28.2176.3-172.7175.6-75.5-146-2.2113.1V64 W101 L102 D104V64-R106 PolarHBondContact O-NH2 2.92Å; W101-R106 PolarHBondContact O-N 2.04Å; L102-R106 WeakPolarHBondContact O-CB 3.28Å; D104-R106 PolarHBondContact O-N 3.37Å
107S75.9Confident84.9Confident82 Ų8269.1 Ų69.157%0.57334%0.343SS*.G310 helixtrans-80.1-28.9-179.576.30000113.7R103 D104 Y105R103-S107 WeakPolarHBondContact O-CB 3.37Å; R103-S107 PolarHBondContact O-OG 3.45Å; D104-S107 PolarHBondContact O-N 3.43Å; D104-S107 VanDerWaalsContact O-N 3.14Å; D104-S107 PolarHBondContact O-OG 2.97Å; Y105-S107 PolarHBondContact O-N 3.45Å
108Y71Confident84.8Confident151 Ų15171 Ų7159%0.59235%0.352SS*.  trans-153.7107.9-177.4-166.7-100.5000111.7D104 Y105 N110 K111D104-Y108 PolarHBondContact O-N 3.45Å; Y105-Y108 CarbonylContact O-C 3.57Å; Y105-Y108 PolarHBondContact O-N 3.18Å; Y108-N110 HydrophobicContact CD1-CB 4.34Å; Y108-N110 HydrophobicContact CE1-CB 3.98Å; Y108-N110 PolarHBondContact O-N 3.28Å; Y108-K111 HydrophobicContact CD1-CG 4.21Å; Y108-K111 PolarHBondContact O-N 3.34Å
109A65.2Low84.9Confident78 Ų7867 Ų6765%0.64533%0.334SS*.THydrogen-bonded Turntrans-687.2-165.400000116.8
110N69.6Low85.1Confident108 Ų10865.6 Ų65.658%0.57833%0.327SS*.THydrogen-bonded Turntrans-125.914.2-175.5-149.118.2000114.9Y108 I112Y108-N110 HydrophobicContact CD1-CB 4.34Å; Y108-N110 HydrophobicContact CE1-CB 3.98Å; Y108-N110 PolarHBondContact O-N 3.28Å; N110-I112 PolarHBondContact O-N 3.42Å
111K76.6Confident85.3Confident88 Ų8867 Ų6738%0.38334%0.336SS..G310 helixtrans-77.36.2-178.6-89.9-172.6177.9-173.50115.4D104 Y108 E113 G114D104-K111 HydrophobicContact CB-CD 4.4Å; D104-K111 IonicContact OD1-NZ 2.63Å; D104-K111 PolarHBondContact OD1-NZ 3.49Å; Y108-K111 HydrophobicContact CD1-CG 4.21Å; Y108-K111 PolarHBondContact O-N 3.34Å; K111-E113 VanDerWaalsContact C-N 3.3Å; K111-E113 PolarHBondContact O-N 3.49Å; K111-G114 PolarHBondContact O-N 3.49Å
112I85.9Confident85.5Confident13 Ų1371.1 Ų71.17%0.06736%0.361CS..G310 helixtrans-65.5-31.7-174.1-165.764.4000112.9I36 F39 W100 N110 G114 F115I36-I112 HydrophobicContact CG1-CD1 4.01Å; I36-I112 HydrophobicContact CG1-CG1 4.21Å; I36-I112 HydrophobicContact CG2-CG1 4.41Å; F39-I112 HydrophobicContact CB-CD1 4.26Å; F39-I112 HydrophobicContact CD1-CB 4.5Å; F39-I112 HydrophobicContact CD1-CD1 4.04Å; F39-I112 HydrophobicContact CD1-CG1 3.82Å; F39-I112 HydrophobicContact CD2-CD1 4.24Å; F39-I112 HydrophobicContact CE1-CB 4.25Å; F39-I112 HydrophobicContact CE1-CD1 4.46Å; F39-I112 HydrophobicContact CE1-CG1 4.08Å; F39-I112 HydrophobicContact CE1-CG2 4.37Å; F39-I112 HydrophobicContact CG-CD1 3.92Å; F39-I112 HydrophobicContact CG-CG1 4.22Å; W100-I112 HydrophobicContact CH2-CD1 3.9Å; N110-I112 PolarHBondContact O-N 3.42Å; I112-G114 VanDerWaalsContact C-N 3.27Å; I112-G114 PolarHBondContact O-N 3.26Å; I112-F115 HydrophobicContact CD1-CB 4.29Å; I112-F115 VanDerWaalsContact O-CB 3.29Å; I112-F115 WeakPolarHBondContact O-CB 3.41Å; I112-F115 PolarHBondContact O-N 2.87Å
113E83.1Confident85.7Confident180 Ų18070 Ų7084%0.84135%0.352SS*.G310 helixtrans-63.1-30.5-178.1-67-176.4168.500113.3K111K111-E113 VanDerWaalsContact C-N 3.3Å; K111-E113 PolarHBondContact O-N 3.49Å
114G88.1Confident86.1Confident39 Ų3962.4 Ų62.440%0.40233%0.325SS..G310 helixtrans-97.24.3178.900000114.5K111 I112 E116 E117 D118K111-G114 PolarHBondContact O-N 3.49Å; I112-G114 VanDerWaalsContact C-N 3.27Å; I112-G114 PolarHBondContact O-N 3.26Å; G114-E116 PolarHBondContact O-N 3.18Å; G114-E117 PolarHBondContact O-N 3.21Å; G114-D118 PolarHBondContact O-N 3.24Å
115F92.5Very high86.5Confident0 Ų067.1 Ų67.10%034%0.344CS..Hα-helixtrans-63.6-41.5-172.3170.4-111.9000113.3A32 F35 I36 L97 W100 I112 E117 D118 L119A32-F115 HydrophobicContact CB-CD1 4.38Å; A32-F115 HydrophobicContact CB-CE1 4.17Å; F35-F115 HydrophobicContact CB-CE1 3.84Å; F35-F115 HydrophobicContact CB-CZ 4.39Å; F35-F115 HydrophobicContact CD1-CD1 4.01Å; F35-F115 AromaticContact CD1-CE1 3.38Å; F35-F115 HydrophobicContact CD1-CE1 3.38Å; F35-F115 AromaticContact CD1-CZ 3.65Å; F35-F115 HydrophobicContact CD1-CZ 3.65Å; F35-F115 HydrophobicContact CD2-CZ 4.45Å; F35-F115 HydrophobicContact CE1-CE1 4.13Å; F35-F115 HydrophobicContact CE1-CZ 4.03Å; F35-F115 AromaticContact CG-CE1 3.71Å; F35-F115 HydrophobicContact CG-CE1 3.71Å; F35-F115 AromaticContact CG-CZ 3.91Å; F35-F115 HydrophobicContact CG-CZ 3.91Å; I36-F115 HydrophobicContact CD1-CD1 4.14Å; I36-F115 HydrophobicContact CG1-CD1 3.86Å; L97-F115 HydrophobicContact CD2-CE2 4.16Å; L97-F115 HydrophobicContact CD2-CZ 3.49Å; L97-F115 VanDerWaalsContact CD2-CZ 3.49Å; W100-F115 HydrophobicContact CB-CE2 4.45Å; W100-F115 AromaticContact CD2-CD2 3.42Å; W100-F115 HydrophobicContact CD2-CD2 3.42Å; W100-F115 VanDerWaalsContact CD2-CD2 3.42Å; W100-F115 AromaticContact CD2-CE2 3.53Å; W100-F115 HydrophobicContact CD2-CE2 3.53Å; W100-F115 AromaticContact CE2-CD2 3.3Å; W100-F115 AromaticContact CE2-CE2 3.95Å; W100-F115 AromaticContact CE3-CD2 3.78Å; W100-F115 HydrophobicContact CE3-CD2 3.78Å; W100-F115 AromaticContact CE3-CE2 3.61Å; W100-F115 HydrophobicContact CE3-CE2 3.61Å; W100-F115 AromaticContact CG-CD2 3.92Å; W100-F115 HydrophobicContact CG-CD2 3.92Å; W100-F115 AromaticContact CG-CE2 3.89Å; W100-F115 HydrophobicContact CG-CE2 3.89Å; W100-F115 HydrophobicContact CH2-CB 4.41Å; W100-F115 AromaticContact CH2-CD2 3.93Å; W100-F115 HydrophobicContact CH2-CD2 3.93Å; W100-F115 HydrophobicContact CH2-CE2 4.45Å; W100-F115 HydrophobicContact CH2-CG 4.25Å; W100-F115 HydrophobicContact CZ2-CB 3.91Å; W100-F115 AromaticContact CZ2-CD2 3.58Å; W100-F115 HydrophobicContact CZ2-CD2 3.58Å; W100-F115 HydrophobicContact CZ2-CE2 4.4Å; W100-F115 HydrophobicContact CZ2-CG 4.02Å; W100-F115 HydrophobicContact CZ3-CD2 4.02Å; W100-F115 HydrophobicContact CZ3-CE2 4.09Å; W100-F115 AromaticContact NE1-CD2 3.68Å; I112-F115 HydrophobicContact CD1-CB 4.29Å; I112-F115 VanDerWaalsContact O-CB 3.29Å; I112-F115 WeakPolarHBondContact O-CB 3.41Å; I112-F115 PolarHBondContact O-N 2.87Å; F115-E117 VanDerWaalsContact C-N 3.33Å; F115-E117 PolarHBondContact O-N 3.33Å; F115-D118 PolarHBondContact O-N 2.91Å; F115-L119 HydrophobicContact CE1-CD2 4.24Å; F115-L119 HydrophobicContact CE2-CB 4.23Å; F115-L119 HydrophobicContact CE2-CD2 4.38Å; F115-L119 HydrophobicContact CZ-CB 4.43Å; F115-L119 HydrophobicContact CZ-CD2 3.84Å; F115-L119 WeakPolarHBondContact O-CB 3.44Å; F115-L119 PolarHBondContact O-N 3.46Å
116E93.8Very high87Confident48 Ų4869 Ų6922%0.22435%0.353CS..Hα-helixtrans-60.4-43.7179.3179.8175.3167.400111.4R29 A32 K33 I36 G114 C120R29-E116 WeakPolarHBondContact CB-OE1 3.35Å; R29-E116 HydrophobicContact CG-CG 4.48Å; R29-E116 VanDerWaalsContact CG-OE1 3.26Å; R29-E116 WeakPolarHBondContact CG-OE1 3.49Å; A32-E116 HydrophobicContact CB-CB 3.92Å; A32-E116 HydrophobicContact CB-CG 3.87Å; K33-E116 WeakPolarHBondContact CE-OE1 3.26Å; K33-E116 WeakPolarHBondContact CE-OE2 3.47Å; I36-E116 HydrophobicContact CD1-CB 4.49Å; G114-E116 PolarHBondContact O-N 3.18Å; E116-C120 VanDerWaalsContact O-CB 3.24Å; E116-C120 WeakPolarHBondContact O-CB 3.25Å; E116-C120 PolarHBondContact O-N 2.89Å
117E93.6Very high88Confident110 Ų11062.4 Ų62.451%0.51433%0.328SS..Hα-helixtrans-67.5-45.7177.6-174168.7-16500111.5G114 F115 L119 V121 T122G114-E117 PolarHBondContact O-N 3.21Å; F115-E117 VanDerWaalsContact C-N 3.33Å; F115-E117 PolarHBondContact O-N 3.33Å; E117-L119 PolarHBondContact O-N 3.32Å; E117-V121 HydrophobicContact CG-CB 4.23Å; E117-V121 HydrophobicContact CG-CG2 4.14Å; E117-V121 WeakPolarHBondContact O-CA 3.42Å; E117-V121 WeakPolarHBondContact O-CB 3.29Å; E117-V121 PolarHBondContact O-N 3.21Å; E117-T122 PolarHBondContact O-N 2.91Å
118D93.5Very high89Confident39 Ų3958.5 Ų58.521%0.20930%0.301CS..Iπ-helixtrans-62-45.6179.1-172.550000112.2G114 F115 T122 R123G114-D118 PolarHBondContact O-N 3.24Å; F115-D118 PolarHBondContact O-N 2.91Å; D118-T122 VanDerWaalsContact O-CB 3.32Å; D118-T122 WeakPolarHBondContact O-CB 3.12Å; D118-T122 PolarHBondContact O-N 2.89Å; D118-R123 WeakPolarHBondContact O-CB 3.5Å; D118-R123 WeakPolarHBondContact O-CG 3.45Å; D118-R123 PolarHBondContact O-N 3.23Å; D118-R123 IonicContact OD1-NE 2.81Å; D118-R123 WeakPolarHBondContact OD2-CD 3.31Å; D118-R123 IonicContact OD2-CZ 3.14Å; D118-R123 IonicContact OD2-NE 3.74Å; D118-R123 PolarHBondContact OD2-NE 3.4Å
119L95.9Very high90.2Very high0 Ų053.8 Ų53.80%029%0.289CS..Iπ-helixtrans-66.3-52.8178.6-177.965.7000111.5A32 I93 H96 L97 F115 E117 T124A32-L119 HydrophobicContact CB-CD2 4.22Å; I93-L119 HydrophobicContact CD1-CD2 4.42Å; H96-L119 HydrophobicContact CB-CD1 3.81Å; L97-L119 HydrophobicContact CD2-CD1 4.02Å; L97-L119 HydrophobicContact CD2-CD2 3.61Å; L97-L119 HydrophobicContact CD2-CG 4.47Å; L97-L119 HydrophobicContact CG-CD1 4.39Å; F115-L119 HydrophobicContact CE1-CD2 4.24Å; F115-L119 HydrophobicContact CE2-CB 4.23Å; F115-L119 HydrophobicContact CE2-CD2 4.38Å; F115-L119 HydrophobicContact CZ-CB 4.43Å; F115-L119 HydrophobicContact CZ-CD2 3.84Å; F115-L119 WeakPolarHBondContact O-CB 3.44Å; F115-L119 PolarHBondContact O-N 3.46Å; E117-L119 PolarHBondContact O-N 3.32Å; L119-T124 HydrophobicContact CD1-CG2 4.2Å; L119-T124 WeakPolarHBondContact O-CB 3.29Å; L119-T124 WeakPolarHBondContact O-CG2 3.25Å; L119-T124 PolarHBondContact O-N 3.43Å; L119-T124 PolarHBondContact O-OG1 2.84Å
120C96.6Very high91.6Very high2 Ų254.9 Ų54.91%0.01429%0.292CS..Iπ-helixtrans-87.7-27-166.8-600000114.5C28 E116 T124 K125 F126 C127C28-C120 HydrophobicContact CB-CB 3.89Å; C28-C120 WeakPolarHBondContact CB-SG 3.47Å; C28-C120 PolarHBondContact O-SG 2.87Å; C28-C120 VanDerWaalsContact O-SG 3.4Å; C28-C120 WeakPolarHBondContact SG-CA 3.36Å; C28-C120 WeakPolarHBondContact SG-CB 3.39Å; C28-C120 CovalentContact SG-SG 2.05Å; C28-C120 PolarHBondContact SG-SG 3.06Å; E116-C120 VanDerWaalsContact O-CB 3.24Å; E116-C120 WeakPolarHBondContact O-CB 3.25Å; E116-C120 PolarHBondContact O-N 2.89Å; C120-T124 WeakPolarHBondContact CA-OG1 3.37Å; C120-T124 PolarHBondContact O-OG1 3.26Å; C120-K125 CarbonylContact O-C 3.55Å; C120-F126 PolarHBondContact O-N 2.77Å; C120-C127 HydrophobicContact CB-CB 4.22Å; C120-C127 PolarHBondContact O-N 3.48Å
121V96.4Very high92.8Very high33 Ų3353.5 Ų53.520%0.228%0.284CS..Iπ-helixtrans-102.6-47.9-179-174.40000110.9E117 K125 C127 P129E117-V121 HydrophobicContact CG-CB 4.23Å; E117-V121 HydrophobicContact CG-CG2 4.14Å; E117-V121 WeakPolarHBondContact O-CA 3.42Å; E117-V121 WeakPolarHBondContact O-CB 3.29Å; E117-V121 PolarHBondContact O-N 3.21Å; V121-K125 WeakPolarHBondContact O-CA 3.47Å; V121-C127 HydrophobicContact CG2-CB 3.95Å; V121-P129 HydrophobicContact CG1-CB 4.32Å
122T94.7Very high93.7Very high87 Ų8750.1 Ų50.153%0.53427%0.271SS..Iπ-helixtrans-83.5-54.9-173.4-53.60000112.8E117 D118E117-T122 PolarHBondContact O-N 2.91Å; D118-T122 VanDerWaalsContact O-CB 3.32Å; D118-T122 WeakPolarHBondContact O-CB 3.12Å; D118-T122 PolarHBondContact O-N 2.89Å
123R94.5Very high94.2Very high47 Ų4751 Ų5118%0.17728%0.275CS..Iπ-helixtrans-78.7-55.7-170.3-71.5169.2168.8-80.9-11.2112.9H96 D99 D104 D118H96-R123 HydrophobicContact CB-CB 4.35Å; H96-R123 PolarHBondContact CE1-O 3.29Å; H96-R123 PolarHBondContact O-NH1 3.44Å; D99-R123 IonicContact OD2-CZ 2.7Å; D99-R123 IonicContact OD2-NH1 2.76Å; D99-R123 PolarHBondContact OD2-NH1 2.99Å; D99-R123 IonicContact OD2-NH2 3.44Å; D99-R123 PolarHBondContact OD2-NH2 3.39Å; D104-R123 IonicContact OD2-CZ 3.98Å; D104-R123 IonicContact OD2-NH2 3.7Å; D104-R123 PolarHBondContact OD2-NH2 2.97Å; D118-R123 WeakPolarHBondContact O-CB 3.5Å; D118-R123 WeakPolarHBondContact O-CG 3.45Å; D118-R123 PolarHBondContact O-N 3.23Å; D118-R123 IonicContact OD1-NE 2.81Å; D118-R123 WeakPolarHBondContact OD2-CD 3.31Å; D118-R123 IonicContact OD2-CZ 3.14Å; D118-R123 IonicContact OD2-NE 3.74Å; D118-R123 PolarHBondContact OD2-NE 3.4Å
124T94.7Very high94.7Very high19 Ų1943 Ų4312%0.11724%0.241CC..SBendtrans-90-22.7-177.461.10000113I93 H96 L119 C120 F126I93-T124 HydrophobicContact CG2-CG2 3.88Å; H96-T124 HydrophobicContact CB-CG2 4.29Å; L119-T124 HydrophobicContact CD1-CG2 4.2Å; L119-T124 WeakPolarHBondContact O-CB 3.29Å; L119-T124 WeakPolarHBondContact O-CG2 3.25Å; L119-T124 PolarHBondContact O-N 3.43Å; L119-T124 PolarHBondContact O-OG1 2.84Å; C120-T124 WeakPolarHBondContact CA-OG1 3.37Å; C120-T124 PolarHBondContact O-OG1 3.26Å; T124-F126 HydrophobicContact CG2-CD2 4.01Å; T124-F126 HydrophobicContact CG2-CE2 3.82Å; T124-F126 PolarHBondContact O-N 3.28Å; T124-F126 VanDerWaalsContact O-N 3.15Å; T124-F126 VanDerWaalsContact OG1-CD2 3.24Å; T124-F126 WeakPolarHBondContact OG1-CD2 3.35Å
125K94.9Very high95Very high132 Ų13247.4 Ų47.457%0.57426%0.255SS*.  trans5622.8-175.4-58.8178.1179.8174.70113.5C120 V121 C127 R156C120-K125 CarbonylContact O-C 3.55Å; V121-K125 WeakPolarHBondContact O-CA 3.47Å; K125-C127 VanDerWaalsContact C-N 3.3Å; K125-C127 PolarHBondContact O-N 3.1Å; K125-R156 VanDerWaalsContact O-CZ 3.26Å; K125-R156 PolarHBondContact O-NE 3.14Å; K125-R156 PolarHBondContact O-NH2 3.36Å
126F95.6Very high95.1Very high53 Ų5352.3 Ų52.323%0.23229%0.289CS..  trans-67.9-33176.3-66.2-45.3000112.6D24 C25 C28 F89 I93 C120 T124D24-F126 HydrophobicContact CB-CB 4.32Å; D24-F126 HydrophobicContact CB-CD1 3.85Å; D24-F126 HydrophobicContact CB-CE1 4.32Å; D24-F126 HydrophobicContact CB-CG 4.06Å; C25-F126 WeakPolarHBondContact CB-O 3.37Å; C28-F126 HydrophobicContact CB-CB 4.4Å; C28-F126 HydrophobicContact CB-CD2 3.97Å; F89-F126 HydrophobicContact CE2-CD2 4.3Å; F89-F126 AromaticContact CE2-CE2 3.9Å; F89-F126 HydrophobicContact CE2-CE2 3.9Å; F89-F126 HydrophobicContact CE2-CZ 4.33Å; F89-F126 HydrophobicContact CZ-CD2 4Å; F89-F126 AromaticContact CZ-CE2 3.82Å; F89-F126 HydrophobicContact CZ-CE2 3.82Å; I93-F126 HydrophobicContact CG2-CD2 4.47Å; I93-F126 HydrophobicContact CG2-CE2 3.6Å; I93-F126 HydrophobicContact CG2-CZ 4.46Å; C120-F126 PolarHBondContact O-N 2.77Å; T124-F126 HydrophobicContact CG2-CD2 4.01Å; T124-F126 HydrophobicContact CG2-CE2 3.82Å; T124-F126 PolarHBondContact O-N 3.28Å; T124-F126 VanDerWaalsContact O-N 3.15Å; T124-F126 VanDerWaalsContact OG1-CD2 3.24Å; T124-F126 WeakPolarHBondContact OG1-CD2 3.35Å
127C97Very high95.2Very high1 Ų151.3 Ų51.31%0.00729%0.287CS..BIsolated β-bridgetrans-103.2165.5178.7-64.40000112.4C25 C120 V121 K125 G154C25-C127 WeakPolarHBondContact CA-SG 3.35Å; C25-C127 HydrophobicContact CB-CB 4.1Å; C25-C127 WeakPolarHBondContact CB-SG 3.39Å; C25-C127 PolarHBondContact O-SG 3.3Å; C25-C127 VanDerWaalsContact SG-CA 3.53Å; C25-C127 WeakPolarHBondContact SG-CB 3.26Å; C25-C127 CovalentContact SG-SG 2.04Å; C25-C127 PolarHBondContact SG-SG 2.96Å; C120-C127 HydrophobicContact CB-CB 4.22Å; C120-C127 PolarHBondContact O-N 3.48Å; V121-C127 HydrophobicContact CG2-CB 3.95Å; K125-C127 VanDerWaalsContact C-N 3.3Å; K125-C127 PolarHBondContact O-N 3.1Å; C127-G154 WeakPolarHBondContact CB-O 3.26Å
128C96.9Very high95.4Very high1 Ų150.8 Ų50.81%0.00729%0.287CS..PPolyproline II helixtrans-95.4158166.5-72.70000110.3G134 C137 G154 T155C128-G134 PolarHBondContact SG-O 3.28Å; C128-G134 VanDerWaalsContact SG-O 3.36Å; C128-C137 WeakPolarHBondContact CA-SG 3.28Å; C128-C137 HydrophobicContact CB-CB 3.73Å; C128-C137 WeakPolarHBondContact CB-SG 3.26Å; C128-C137 WeakPolarHBondContact SG-CA 3.34Å; C128-C137 WeakPolarHBondContact SG-CB 3.27Å; C128-C137 CovalentContact SG-SG 2.04Å; C128-C137 PolarHBondContact SG-SG 3.29Å; C128-G154 PolarHBondContact N-O 2.71Å; C128-G154 WeakPolarHBondContact O-CA 3.01Å; C128-T155 PolarHBondContact SG-O 3.34Å; C128-T155 VanDerWaalsContact SG-O 3.41Å
129P95.9Very high95.5Very high52 Ų5253.6 Ų53.634%0.33831%0.308SS..PPolyproline II helixtrans-59.4159.4168.827.5-35000110.7V121 N131 S132V121-P129 HydrophobicContact CG1-CB 4.32Å; P129-N131 PolarHBondContact O-N 3Å; P129-S132 PolarHBondContact O-N 2.87Å
130S93.5Very high95.5Very high101 Ų10154.1 Ų54.171%0.70631%0.311SS*.THydrogen-bonded Turntrans-51.8141.3175.4-65.90000111.2S132S130-S132 VanDerWaalsContact C-N 3.34Å
131N94.7Very high95.4Very high79 Ų7956 Ų5642%0.42232%0.323SS..THydrogen-bonded Turntrans65.630-179-159.756.6000114.7P129 C140 N153P129-N131 PolarHBondContact O-N 3Å; N131-C140 PolarHBondContact O-N 2.67Å; N131-C140 WeakPolarHBondContact OD1-CB 3.39Å; N131-N153 WeakPolarHBondContact CA-OD1 3.38Å; N131-N153 PolarHBondContact N-OD1 3.41Å
132S96.1Very high95.1Very high16 Ų1658 Ų5811%0.11234%0.337CS..EExtended strand (participates in β ladder)trans-138.4155.1173.8-59.40000111.7P129 S130 L138 G154P129-S132 PolarHBondContact O-N 2.87Å; S130-S132 VanDerWaalsContact C-N 3.34Å; S132-L138 CarbonylContact C-O 3.41Å; S132-L138 WeakPolarHBondContact CA-O 3.03Å; S132-L138 WeakPolarHBondContact CB-O 2.98Å; S132-G154 WeakPolarHBondContact O-CA 3.35Å; S132-G154 PolarHBondContact O-N 3.34Å
133F95.5Very high94.9Very high33 Ų3353.9 Ų53.915%0.14531%0.312CS..EExtended strand (participates in β ladder)trans-142.5164.4-17675.8-83.1000113.5C137 L138 G152 T155 T159 G160F133-C137 CarbonylContact O-C 3.49Å; F133-C137 VanDerWaalsContact O-CA 3.24Å; F133-C137 WeakPolarHBondContact O-CA 3.19Å; F133-C137 PolarHBondContact O-N 3.41Å; F133-L138 HydrophobicContact CD1-CB 4.49Å; F133-L138 WeakPolarHBondContact CD1-O 3.43Å; F133-L138 HydrophobicContact CE1-CB 4.02Å; F133-L138 HydrophobicContact CZ-CB 4.18Å; F133-L138 PolarHBondContact N-O 2.91Å; F133-L138 PolarHBondContact O-N 3Å; F133-G152 WeakPolarHBondContact CB-O 3.41Å; F133-T155 CarbonylContact C-O 3.41Å; F133-T155 WeakPolarHBondContact CA-O 3.49Å; F133-T159 VanDerWaalsContact CE2-C 3.43Å; F133-T159 VanDerWaalsContact CE2-O 3.23Å; F133-T159 WeakPolarHBondContact CE2-O 3.45Å; F133-G160 VanDerWaalsContact CD2-N 3.3Å
134G95Very high94.5Very high12 Ų1260.3 Ų60.312%0.12434%0.338CS..THydrogen-bonded Turntrans75.6174.4171.700000114.6C128 S136 C137 T155 R156C128-G134 PolarHBondContact SG-O 3.28Å; C128-G134 VanDerWaalsContact SG-O 3.36Å; G134-S136 PolarHBondContact O-N 2.99Å; G134-C137 PolarHBondContact O-N 3.34Å; G134-T155 PolarHBondContact N-O 3.12Å; G134-R156 CarbonylContact C-O 3.12Å; G134-R156 VanDerWaalsContact CA-O 3.27Å; G134-R156 WeakPolarHBondContact CA-O 3.44Å; G134-R156 WeakPolarHBondContact O-CA 3.48Å
135N93.7Very high94Very high131 Ų13167 Ų6770%0.70137%0.365SS*.THydrogen-bonded Turntrans-57.2-30.3-173.2-71.6-14.6000114R156N135-R156 PolarHBondContact N-O 3.46Å; N135-R156 VanDerWaalsContact N-O 3.12Å; N135-R156 PolarHBondContact O-NH1 3.48Å; N135-R156 PolarHBondContact OD1-O 3.05Å
136S94.8Very high93.4Very high102 Ų10261.9 Ų61.971%0.71335%0.346SS*.THydrogen-bonded Turntrans-97.72.6179.3-58.20000113.9G134G134-S136 PolarHBondContact O-N 2.99Å
137C96.3Very high93.1Very high28 Ų2860.1 Ų60.119%0.18934%0.343CS..THydrogen-bonded Turntrans51.855.1-174.8-56.30000112.6C128 F133 G134C128-C137 WeakPolarHBondContact CA-SG 3.28Å; C128-C137 HydrophobicContact CB-CB 3.73Å; C128-C137 WeakPolarHBondContact CB-SG 3.26Å; C128-C137 WeakPolarHBondContact SG-CA 3.34Å; C128-C137 WeakPolarHBondContact SG-CB 3.27Å; C128-C137 CovalentContact SG-SG 2.04Å; C128-C137 PolarHBondContact SG-SG 3.29Å; F133-C137 CarbonylContact O-C 3.49Å; F133-C137 VanDerWaalsContact O-CA 3.24Å; F133-C137 WeakPolarHBondContact O-CA 3.19Å; F133-C137 PolarHBondContact O-N 3.41Å; G134-C137 PolarHBondContact O-N 3.34Å
138L96.9Very high92.9Very high98 Ų9860.4 Ų60.451%0.51335%0.346SS..EExtended strand (participates in β ladder)trans-68.2147.3174.6-64.8178.3000110.3S132 F133S132-L138 CarbonylContact C-O 3.41Å; S132-L138 WeakPolarHBondContact CA-O 3.03Å; S132-L138 WeakPolarHBondContact CB-O 2.98Å; F133-L138 HydrophobicContact CD1-CB 4.49Å; F133-L138 WeakPolarHBondContact CD1-O 3.43Å; F133-L138 HydrophobicContact CE1-CB 4.02Å; F133-L138 HydrophobicContact CZ-CB 4.18Å; F133-L138 PolarHBondContact N-O 2.91Å; F133-L138 PolarHBondContact O-N 3Å
139P96.6Very high92.9Very high99 Ų9967.5 Ų67.564%0.64337%0.372SS*.EExtended strand (participates in β ladder)trans-64.1137.6179.627-34.7000111.2
140C95.8Very high92.9Very high10 Ų1065.6 Ų65.67%0.06836%0.36CS..PPolyproline II helixtrans-67.8147174.6-80.80000111.7N131 C150N131-C140 PolarHBondContact O-N 2.67Å; N131-C140 WeakPolarHBondContact OD1-CB 3.39Å; C140-C150 HydrophobicContact CB-CB 3.54Å; C140-C150 WeakPolarHBondContact CB-SG 3.27Å; C140-C150 WeakPolarHBondContact SG-CB 3.21Å; C140-C150 CovalentContact SG-SG 2.05Å; C140-C150 PolarHBondContact SG-SG 2.9Å
141P94.3Very high92.9Very high41 Ų4163.2 Ų63.227%0.26634%0.34SS..PPolyproline II helixtrans-60.8154.8169.7-18.330.4000111.7C143 G160 L172P141-C143 PolarHBondContact O-N 3.1Å; P141-G160 WeakPolarHBondContact CD-O 3.28Å; P141-G160 WeakPolarHBondContact CG-O 3.33Å; P141-L172 HydrophobicContact CB-CD2 3.71Å
142P90.7Very high92.9Very high76 Ų7660 Ų6049%0.49433%0.326SS..G310 helixtrans-75.133.6-173.432.8-37.9000114.7Y144 F145 L172P142-Y144 VanDerWaalsContact C-N 3.28Å; P142-Y144 PolarHBondContact O-N 3.1Å; P142-F145 HydrophobicContact CB-CD2 4.3Å; P142-F145 PolarHBondContact O-N 2.91Å; P142-L172 HydrophobicContact CG-CD1 4.5Å; P142-L172 HydrophobicContact CG-CD2 4.41Å
143C90.5Very high92.9Very high1 Ų162.9 Ų62.91%0.00734%0.34CS..G310 helixtrans-74.7-12-17946.10000115P141 F145 S146 G147 G148 C162 L172P141-C143 PolarHBondContact O-N 3.1Å; C143-F145 PolarHBondContact O-N 2.05Å; C143-S146 PolarHBondContact O-N 2.75Å; C143-G147 PolarHBondContact O-N 3.4Å; C143-G148 CarbonylContact C-O 3.59Å; C143-G148 CarbonylContact O-C 3.55Å; C143-G148 WeakPolarHBondContact O-CA 3.27Å; C143-G148 PolarHBondContact O-N 3.26Å; C143-C162 HydrophobicContact CB-CB 3.49Å; C143-C162 VanDerWaalsContact CB-CB 3.49Å; C143-C162 WeakPolarHBondContact CB-SG 3.03Å; C143-C162 WeakPolarHBondContact SG-CB 3.41Å; C143-C162 CovalentContact SG-SG 2.03Å; C143-C162 PolarHBondContact SG-SG 3.42Å; C143-L172 VanDerWaalsContact CB-O 3.28Å; C143-L172 WeakPolarHBondContact CB-O 3.22Å
144Y85Confident92.8Very high182 Ų18261.3 Ų61.371%0.71433%0.333SS*.G310 helixtrans-58.2-32.9172.8-176.8-100.5000112.6P142 S146 G148P142-Y144 VanDerWaalsContact C-N 3.28Å; P142-Y144 PolarHBondContact O-N 3.1Å; Y144-S146 VanDerWaalsContact C-N 3.32Å; Y144-G148 WeakPolarHBondContact CA-O 3.36Å
145F84Confident92.8Very high160 Ų16061.3 Ų61.370%0.70233%0.331SS*.G310 helixtrans-79.2-15.3177.8-59.4-71.9000113.7P142 C143P142-F145 HydrophobicContact CB-CD2 4.3Å; P142-F145 PolarHBondContact O-N 2.91Å; C143-F145 PolarHBondContact O-N 2.05Å
146S83.4Confident92.9Very high24 Ų2458.9 Ų58.917%0.16831%0.311CS..G310 helixtrans-113.521-171-59.80000112.2C143 Y144 Y168 L172 C173C143-S146 PolarHBondContact O-N 2.75Å; Y144-S146 VanDerWaalsContact C-N 3.32Å; S146-Y168 WeakPolarHBondContact O-CD1 3.48Å; S146-L172 WeakPolarHBondContact CB-O 3.31Å; S146-C173 CarbonylContact O-C 3.52Å
147G88.4Confident92.7Very high16 Ų1656.9 Ų56.917%0.16530%0.298CS..THydrogen-bonded Turntrans74.230.5179.600000114.2C143 N165C143-G147 PolarHBondContact O-N 3.4Å; G147-N165 WeakPolarHBondContact O-CB 3.15Å; G147-N165 PolarHBondContact O-N 2.85Å; G147-N165 PolarHBondContact O-ND2 2.87Å
148G93.8Very high92.4Very high7 Ų757.4 Ų57.47%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-126.8171.7171.700000113.3C143 Y144 I163C143-G148 CarbonylContact C-O 3.59Å; C143-G148 CarbonylContact O-C 3.55Å; C143-G148 WeakPolarHBondContact O-CA 3.27Å; C143-G148 PolarHBondContact O-N 3.26Å; Y144-G148 WeakPolarHBondContact CA-O 3.36Å; G148-I163 CarbonylContact C-O 3.52Å; G148-I163 VanDerWaalsContact CA-O 3.28Å; G148-I163 WeakPolarHBondContact CA-O 3.17Å
149R95.4Very high92.3Very high149 Ų14957 Ų5756%0.56231%0.309SS*.EExtended strand (participates in β ladder)trans-127.7140171.765.2-179.9-177.5-115.12.7111D151 C162 I163R149-D151 PolarHBondContact O-N 3.04Å; R149-C162 WeakPolarHBondContact O-CA 3.41Å; R149-I163 HydrophobicContact CG-CB 3.78Å; R149-I163 HydrophobicContact CG-CD1 4.32Å; R149-I163 HydrophobicContact CG-CG1 4.49Å; R149-I163 HydrophobicContact CG-CG2 4.42Å; R149-I163 PolarHBondContact N-O 3.49Å; R149-I163 PolarHBondContact O-N 3.24Å
150C95.5Very high92.2Very high12 Ų1252.5 Ų52.58%0.08128%0.281CS..EExtended strand (participates in β ladder)trans-71.1126.1175.2177.30000110.6C140 G152 N153C140-C150 HydrophobicContact CB-CB 3.54Å; C140-C150 WeakPolarHBondContact CB-SG 3.27Å; C140-C150 WeakPolarHBondContact SG-CB 3.21Å; C140-C150 CovalentContact SG-SG 2.05Å; C140-C150 PolarHBondContact SG-SG 2.9Å; C150-G152 PolarHBondContact O-N 2.03Å; C150-N153 HydrophobicContact CB-CB 4.22Å; C150-N153 WeakPolarHBondContact O-CB 2.98Å; C150-N153 PolarHBondContact O-N 2.69Å
151D95.3Very high92.2Very high51 Ų5155.4 Ų55.427%0.27330%0.301SS..THydrogen-bonded Turntrans-65.2123.4171.5178.736.6000110.5R149 T159 G160 S161 I163R149-D151 PolarHBondContact O-N 3.04Å; D151-T159 WeakPolarHBondContact OD2-CB 3.26Å; D151-T159 PolarHBondContact OD2-N 3.49Å; D151-T159 PolarHBondContact OD2-OG1 3.5Å; D151-G160 VanDerWaalsContact O-CA 3.27Å; D151-G160 WeakPolarHBondContact O-CA 3.46Å; D151-G160 PolarHBondContact O-N 3.5Å; D151-S161 VanDerWaalsContact CB-O 3.28Å; D151-S161 WeakPolarHBondContact CB-O 3.47Å; D151-S161 PolarHBondContact N-O 3.23Å; D151-I163 HydrophobicContact CB-CD1 4.09Å; D151-I163 HydrophobicContact CB-CG1 4.29Å
152G93.7Very high92.3Very high13 Ų1354.5 Ų54.513%0.13430%0.296CS..THydrogen-bonded Turntrans81.119.5-174.700000115.3F133 C150 G154 T155 S157F133-G152 WeakPolarHBondContact CB-O 3.41Å; C150-G152 PolarHBondContact O-N 2.03Å; G152-G154 PolarHBondContact O-N 2.83Å; G152-G154 VanDerWaalsContact O-N 3.1Å; G152-T155 VanDerWaalsContact CA-OG1 3.26Å; G152-T155 WeakPolarHBondContact CA-OG1 2.84Å; G152-T155 PolarHBondContact O-N 2.76Å; G152-T155 PolarHBondContact O-OG1 2.85Å; G152-T155 VanDerWaalsContact O-OG1 3.1Å; G152-S157 WeakPolarHBondContact CA-O 3.34Å
153N95.4Very high92.5Very high76 Ų7654 Ų5441%0.40629%0.288SS..THydrogen-bonded Turntrans-55.7118.6178.5-174.819.3000112.8N131 C150 T155N131-N153 WeakPolarHBondContact CA-OD1 3.38Å; N131-N153 PolarHBondContact N-OD1 3.41Å; C150-N153 HydrophobicContact CB-CB 4.22Å; C150-N153 WeakPolarHBondContact O-CB 2.98Å; C150-N153 PolarHBondContact O-N 2.69Å; N153-T155 PolarHBondContact O-N 3.37Å
154G94.8Very high92.8Very high0 Ų055.8 Ų55.80%030%0.3CS..THydrogen-bonded Turntrans71.310.2-177.200000114.2C25 R29 C127 C128 S132 G152C25-G154 PolarHBondContact SG-O 3.49Å; R29-G154 PolarHBondContact NH2-O 3.27Å; R29-G154 VanDerWaalsContact NH2-O 3.12Å; C127-G154 WeakPolarHBondContact CB-O 3.26Å; C128-G154 PolarHBondContact N-O 2.71Å; C128-G154 WeakPolarHBondContact O-CA 3.01Å; S132-G154 WeakPolarHBondContact O-CA 3.35Å; S132-G154 PolarHBondContact O-N 3.34Å; G152-G154 PolarHBondContact O-N 2.83Å; G152-G154 VanDerWaalsContact O-N 3.1Å
155T95.2Very high93.3Very high12 Ų1250.8 Ų50.87%0.07429%0.286CS..BIsolated β-bridgetrans-112.1158.1176.576.10000110.6C128 F133 G134 G152 N153 S157C128-T155 PolarHBondContact SG-O 3.34Å; C128-T155 VanDerWaalsContact SG-O 3.41Å; F133-T155 CarbonylContact C-O 3.41Å; F133-T155 WeakPolarHBondContact CA-O 3.49Å; G134-T155 PolarHBondContact N-O 3.12Å; G152-T155 VanDerWaalsContact CA-OG1 3.26Å; G152-T155 WeakPolarHBondContact CA-OG1 2.84Å; G152-T155 PolarHBondContact O-N 2.76Å; G152-T155 PolarHBondContact O-OG1 2.85Å; G152-T155 VanDerWaalsContact O-OG1 3.1Å; N153-T155 PolarHBondContact O-N 3.37Å; T155-S157 PolarHBondContact O-N 3.33Å; T155-S157 PolarHBondContact OG1-N 2.93Å; T155-S157 PolarHBondContact OG1-O 2.91Å; T155-S157 VanDerWaalsContact OG1-O 3.05Å; T155-S157 PolarHBondContact OG1-OG 3.35Å
156R94.2Very high93.8Very high79 Ų7949 Ų4930%0.29828%0.284SS..SBendtrans-81.60.2170.5-70.9-169.4-176.6-82.2-10.5113.6K125 G134 N135K125-R156 VanDerWaalsContact O-CZ 3.26Å; K125-R156 PolarHBondContact O-NE 3.14Å; K125-R156 PolarHBondContact O-NH2 3.36Å; G134-R156 CarbonylContact C-O 3.12Å; G134-R156 VanDerWaalsContact CA-O 3.27Å; G134-R156 WeakPolarHBondContact CA-O 3.44Å; G134-R156 WeakPolarHBondContact O-CA 3.48Å; N135-R156 PolarHBondContact N-O 3.46Å; N135-R156 VanDerWaalsContact N-O 3.12Å; N135-R156 PolarHBondContact O-NH1 3.48Å; N135-R156 PolarHBondContact OD1-O 3.05Å
157S91.1Very high94.4Very high61 Ų6148 Ų4843%0.42728%0.277SS..  trans-106.4180175.857.20000110.2G152 T155G152-S157 WeakPolarHBondContact CA-O 3.34Å; T155-S157 PolarHBondContact O-N 3.33Å; T155-S157 PolarHBondContact OG1-N 2.93Å; T155-S157 PolarHBondContact OG1-O 2.91Å; T155-S157 VanDerWaalsContact OG1-O 3.05Å; T155-S157 PolarHBondContact OG1-OG 3.35Å
158G91Very high94.7Very high38 Ų3849.2 Ų49.239%0.39228%0.277SS..SBendtrans90.3164.2178.300000113.8
159T94.3Very high94.7Very high90 Ų9052 Ų5255%0.55229%0.293SS*.  trans-91.6-18.5-175.558.80000113.4F133 D151 S161F133-T159 VanDerWaalsContact CE2-C 3.43Å; F133-T159 VanDerWaalsContact CE2-O 3.23Å; F133-T159 WeakPolarHBondContact CE2-O 3.45Å; D151-T159 WeakPolarHBondContact OD2-CB 3.26Å; D151-T159 PolarHBondContact OD2-N 3.49Å; D151-T159 PolarHBondContact OD2-OG1 3.5Å; T159-S161 PolarHBondContact O-N 3.38Å; T159-S161 WeakPolarHBondContact OG1-CB 3.44Å; T159-S161 PolarHBondContact OG1-N 3.46Å; T159-S161 PolarHBondContact OG1-OG 2.05Å
160G94.3Very high94.7Very high4 Ų446.4 Ų46.44%0.04128%0.282CS..  trans75-1.7-170.400000114.5F133 P141 D151F133-G160 VanDerWaalsContact CD2-N 3.3Å; P141-G160 WeakPolarHBondContact CD-O 3.28Å; P141-G160 WeakPolarHBondContact CG-O 3.33Å; D151-G160 VanDerWaalsContact O-CA 3.27Å; D151-G160 WeakPolarHBondContact O-CA 3.46Å; D151-G160 PolarHBondContact O-N 3.5Å
161S95.8Very high94.6Very high72 Ų7254.2 Ų54.250%0.50332%0.317SS..  trans-66.7150.5174.8-60.10000110.8D151 T159D151-S161 VanDerWaalsContact CB-O 3.28Å; D151-S161 WeakPolarHBondContact CB-O 3.47Å; D151-S161 PolarHBondContact N-O 3.23Å; T159-S161 PolarHBondContact O-N 3.38Å; T159-S161 WeakPolarHBondContact OG1-CB 3.44Å; T159-S161 PolarHBondContact OG1-N 3.46Å; T159-S161 PolarHBondContact OG1-OG 2.05Å
162C96.2Very high94.5Very high22 Ų2254.6 Ų54.615%0.14932%0.319CS..EExtended strand (participates in β ladder)trans-81.6129.1178-64.10000111.3C143 R149 E171C143-C162 HydrophobicContact CB-CB 3.49Å; C143-C162 VanDerWaalsContact CB-CB 3.49Å; C143-C162 WeakPolarHBondContact CB-SG 3.03Å; C143-C162 WeakPolarHBondContact SG-CB 3.41Å; C143-C162 CovalentContact SG-SG 2.03Å; C143-C162 PolarHBondContact SG-SG 3.42Å; R149-C162 WeakPolarHBondContact O-CA 3.41Å; C162-E171 VanDerWaalsContact CB-O 3.26Å; C162-E171 WeakPolarHBondContact CB-O 3.03Å
163I96.4Very high94.5Very high64 Ų6454 Ų5433%0.32831%0.312SS..EExtended strand (participates in β ladder)trans-95.8112.7170.4-54.5168.2000106.8G148 R149 D151G148-I163 CarbonylContact C-O 3.52Å; G148-I163 VanDerWaalsContact CA-O 3.28Å; G148-I163 WeakPolarHBondContact CA-O 3.17Å; R149-I163 HydrophobicContact CG-CB 3.78Å; R149-I163 HydrophobicContact CG-CD1 4.32Å; R149-I163 HydrophobicContact CG-CG1 4.49Å; R149-I163 HydrophobicContact CG-CG2 4.42Å; R149-I163 PolarHBondContact N-O 3.49Å; R149-I163 PolarHBondContact O-N 3.24Å; D151-I163 HydrophobicContact CB-CD1 4.09Å; D151-I163 HydrophobicContact CB-CG1 4.29Å
164C95.9Very high94.4Very high39 Ų3953.7 Ų53.726%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-79.1143-176.7-54.10000112.1Y168 G170 C173C164-Y168 VanDerWaalsContact CB-O 3.26Å; C164-Y168 WeakPolarHBondContact CB-O 3.28Å; C164-G170 PolarHBondContact SG-O 3.37Å; C164-C173 WeakPolarHBondContact CA-SG 3.39Å; C164-C173 HydrophobicContact CB-CB 3.71Å; C164-C173 WeakPolarHBondContact CB-SG 3.4Å; C164-C173 PolarHBondContact N-SG 2.69Å; C164-C173 VanDerWaalsContact N-SG 3.42Å; C164-C173 WeakPolarHBondContact SG-CA 3.21Å; C164-C173 WeakPolarHBondContact SG-CB 3.26Å; C164-C173 CovalentContact SG-SG 2.05Å; C164-C173 PolarHBondContact SG-SG 3.35Å
165N95.3Very high94.3Very high77 Ų7759.7 Ų59.741%0.41234%0.337SS..PPolyproline II helixtrans-69163.2168.8-64.5-25.1000110G147 G167 Y168G147-N165 WeakPolarHBondContact O-CB 3.15Å; G147-N165 PolarHBondContact O-N 2.85Å; G147-N165 PolarHBondContact O-ND2 2.87Å; N165-G167 PolarHBondContact O-N 2.91Å; N165-Y168 HydrophobicContact CB-CD2 3.96Å; N165-Y168 HydrophobicContact CB-CE2 4.46Å; N165-Y168 PolarHBondContact O-N 3.27Å
166D95.4Very high94.2Very high124 Ų12459.4 Ų59.466%0.66334%0.335SS*.THydrogen-bonded Turntrans-52.5133175.8-173.334.8000111Y168 H181D166-Y168 VanDerWaalsContact C-N 3.33Å; D166-Y168 WeakPolarHBondContact O-CD2 3.45Å; D166-Y168 PolarHBondContact O-N 3.47Å; D166-H181 IonicContact OD1-CE1 3.69Å; D166-H181 IonicContact OD2-CE1 3.81Å; D166-H181 IonicContact OD2-NE2 2.64Å
167G94.4Very high94.3Very high3 Ų357.7 Ų57.73%0.03133%0.334CS..THydrogen-bonded Turntrans83.9-11.8-175.300000116.7N165 C176 T177 H181N165-G167 PolarHBondContact O-N 2.91Å; G167-C176 CarbonylContact O-C 3.15Å; G167-C176 WeakPolarHBondContact O-CA 3.43Å; G167-T177 PolarHBondContact O-N 3.35Å; G167-H181 WeakPolarHBondContact CA-CE1 3.45Å; G167-H181 VanDerWaalsContact CA-CG 3.47Å; G167-H181 VanDerWaalsContact CA-ND1 3.34Å; G167-H181 WeakPolarHBondContact CA-ND1 3.46Å; G167-H181 WeakPolarHBondContact CA-NE2 3.28Å; G167-H181 PolarHBondContact N-CE1 3.17Å
168Y94.9Very high94.5Very high41 Ų4160.5 Ų60.516%0.16134%0.338CS..EExtended strand (participates in β ladder)trans-102146.7178-63.1-98.7000111.3S146 C164 N165 D166 C173 K175 I190 C192S146-Y168 WeakPolarHBondContact O-CD1 3.48Å; C164-Y168 VanDerWaalsContact CB-O 3.26Å; C164-Y168 WeakPolarHBondContact CB-O 3.28Å; N165-Y168 HydrophobicContact CB-CD2 3.96Å; N165-Y168 HydrophobicContact CB-CE2 4.46Å; N165-Y168 PolarHBondContact O-N 3.27Å; D166-Y168 VanDerWaalsContact C-N 3.33Å; D166-Y168 WeakPolarHBondContact O-CD2 3.45Å; D166-Y168 PolarHBondContact O-N 3.47Å; Y168-C173 VanDerWaalsContact CD1-O 3.27Å; Y168-C173 WeakPolarHBondContact CD1-O 3.41Å; Y168-K175 CarbonylContact C-O 3.59Å; Y168-K175 WeakPolarHBondContact CA-O 3.29Å; Y168-I190 HydrophobicContact CE1-CG2 4.32Å; Y168-C192 HydrophobicContact CD1-CB 4.29Å; Y168-C192 WeakPolarHBondContact CD1-SG 3.44Å; Y168-C192 HydrophobicContact CD2-CB 4.19Å; Y168-C192 HydrophobicContact CE1-CB 4Å; Y168-C192 WeakPolarHBondContact CE1-SG 3.47Å; Y168-C192 HydrophobicContact CE2-CB 3.87Å; Y168-C192 HydrophobicContact CG-CB 4.39Å; Y168-C192 PolarHBondContact OH-N 2.77Å; Y168-C192 VanDerWaalsContact OH-N 3.1Å
169T95.1Very high94.7Very high65 Ų6565.8 Ų65.840%0.39935%0.353SS..EExtended strand (participates in β ladder)trans-148.4169.6-177.2-167.80000111.7C173 K175T169-C173 CarbonylContact O-C 3.53Å; T169-C173 WeakPolarHBondContact O-CA 3.45Å; T169-K175 HydrophobicContact CG2-CB 3.84Å; T169-K175 PolarHBondContact N-O 3.38Å; T169-K175 WeakPolarHBondContact O-CB 3.46Å; T169-K175 PolarHBondContact O-N 3.04Å
170G93.9Very high94.8Very high32 Ų3264.7 Ų64.733%0.3335%0.346SS..SBendtrans93.1172.3-17500000113.5C164 L172 C173C164-G170 PolarHBondContact SG-O 3.37Å; G170-L172 VanDerWaalsContact C-N 3.3Å; G170-L172 PolarHBondContact O-N 3.13Å; G170-C173 PolarHBondContact O-N 3.22Å
171E93.9Very high94.9Very high175 Ų17564.9 Ų64.982%0.81835%0.346SS*.THydrogen-bonded Turntrans-65-32.8-175-172.5-179.6176.200113C162C162-E171 VanDerWaalsContact CB-O 3.26Å; C162-E171 WeakPolarHBondContact CB-O 3.03Å
172L93.8Very high94.8Very high59 Ų5962.2 Ų62.231%0.30933%0.325SS..THydrogen-bonded Turntrans-105.37.1177.2-63.9179.6000113P141 P142 C143 S146 G170 D174P141-L172 HydrophobicContact CB-CD2 3.71Å; P142-L172 HydrophobicContact CG-CD1 4.5Å; P142-L172 HydrophobicContact CG-CD2 4.41Å; C143-L172 VanDerWaalsContact CB-O 3.28Å; C143-L172 WeakPolarHBondContact CB-O 3.22Å; S146-L172 WeakPolarHBondContact CB-O 3.31Å; G170-L172 VanDerWaalsContact C-N 3.3Å; G170-L172 PolarHBondContact O-N 3.13Å; L172-D174 HydrophobicContact CB-CB 4.45Å; L172-D174 PolarHBondContact O-N 3.03Å
173C94.5Very high94.7Very high0 Ų065.4 Ų65.40%034%0.338CS..SBendtrans60.418.7-173.3-50.70000114.4S146 C164 Y168 T169 G170 K175S146-C173 CarbonylContact O-C 3.52Å; C164-C173 WeakPolarHBondContact CA-SG 3.39Å; C164-C173 HydrophobicContact CB-CB 3.71Å; C164-C173 WeakPolarHBondContact CB-SG 3.4Å; C164-C173 PolarHBondContact N-SG 2.69Å; C164-C173 VanDerWaalsContact N-SG 3.42Å; C164-C173 WeakPolarHBondContact SG-CA 3.21Å; C164-C173 WeakPolarHBondContact SG-CB 3.26Å; C164-C173 CovalentContact SG-SG 2.05Å; C164-C173 PolarHBondContact SG-SG 3.35Å; Y168-C173 VanDerWaalsContact CD1-O 3.27Å; Y168-C173 WeakPolarHBondContact CD1-O 3.41Å; T169-C173 CarbonylContact O-C 3.53Å; T169-C173 WeakPolarHBondContact O-CA 3.45Å; G170-C173 PolarHBondContact O-N 3.22Å; C173-K175 VanDerWaalsContact C-N 3.29Å; C173-K175 PolarHBondContact O-N 3.08Å
174D91.4Very high94.4Very high70 Ų7064 Ų6437%0.37433%0.334SS..  trans-85.410.3-173.464-24.5000115L172 I190L172-D174 HydrophobicContact CB-CB 4.45Å; L172-D174 PolarHBondContact O-N 3.03Å; D174-I190 WeakPolarHBondContact O-CD1 3.49Å
175K92.9Very high93.5Very high126 Ų12671 Ų7155%0.54836%0.362SS..EExtended strand (participates in β ladder)trans-124.5147.3-179.6-59.1176-173.6176.40110.4Y168 T169 C173Y168-K175 CarbonylContact C-O 3.59Å; Y168-K175 WeakPolarHBondContact CA-O 3.29Å; T169-K175 HydrophobicContact CG2-CB 3.84Å; T169-K175 PolarHBondContact N-O 3.38Å; T169-K175 WeakPolarHBondContact O-CB 3.46Å; T169-K175 PolarHBondContact O-N 3.04Å; C173-K175 VanDerWaalsContact C-N 3.29Å; C173-K175 PolarHBondContact O-N 3.08Å
176C93.9Very high92.4Very high7 Ų772.4 Ų72.45%0.04737%0.37CS..EExtended strand (participates in β ladder)trans-87.6148.2172.4-60.70000112.3G167 F178 I190 C192G167-C176 CarbonylContact O-C 3.15Å; G167-C176 WeakPolarHBondContact O-CA 3.43Å; C176-F178 HydrophobicContact CB-CD1 4.46Å; C176-F178 HydrophobicContact CB-CE1 4.04Å; C176-F178 HydrophobicContact CB-CE2 4.47Å; C176-F178 HydrophobicContact CB-CZ 4.05Å; C176-F178 PolarHBondContact O-N 2.95Å; C176-I190 VanDerWaalsContact SG-CD1 3.56Å; C176-C192 WeakPolarHBondContact CA-SG 3.49Å; C176-C192 HydrophobicContact CB-CB 3.86Å; C176-C192 WeakPolarHBondContact CB-SG 3.39Å; C176-C192 WeakPolarHBondContact SG-CA 3.33Å; C176-C192 WeakPolarHBondContact SG-CB 3.35Å; C176-C192 CovalentContact SG-SG 2.04Å; C176-C192 PolarHBondContact SG-SG 3.22Å
177T95.8Very high91.2Very high42 Ų4275 Ų7526%0.25838%0.384SS..  trans-86.693.9170.7-55.90000109.6G167 E179 T180 H181G167-T177 PolarHBondContact O-N 3.35Å; T177-E179 PolarHBondContact O-N 3.28Å; T177-E179 VanDerWaalsContact O-N 3.13Å; T177-T180 PolarHBondContact O-N 2.85Å; T177-H181 WeakPolarHBondContact O-CB 3.27Å; T177-H181 PolarHBondContact O-N 3.36Å
178F95.4Very high90.2Very high120 Ų12080.7 Ų80.753%0.52642%0.423SS..THydrogen-bonded Turntrans-69.2-8.9-171.5-67.5-67.5000115.8C176 T180 H181 Q183 G202C176-F178 HydrophobicContact CB-CD1 4.46Å; C176-F178 HydrophobicContact CB-CE1 4.04Å; C176-F178 HydrophobicContact CB-CE2 4.47Å; C176-F178 HydrophobicContact CB-CZ 4.05Å; C176-F178 PolarHBondContact O-N 2.95Å; F178-T180 VanDerWaalsContact C-N 3.3Å; F178-H181 WeakPolarHBondContact CA-O 3.38Å; F178-Q183 HydrophobicContact CE1-CB 4.1Å; F178-Q183 HydrophobicContact CZ-CB 4.44Å; F178-G202 WeakPolarHBondContact O-CA 3.16Å
179E95.1Very high89.4Confident150 Ų15081.8 Ų81.870%0.70144%0.437SS*.THydrogen-bonded Turntrans-71.3-25.5174.9-64.2-179.5177.600112.9T177 G202T177-E179 PolarHBondContact O-N 3.28Å; T177-E179 VanDerWaalsContact O-N 3.13Å; E179-G202 WeakPolarHBondContact O-CA 3.43Å; E179-G202 PolarHBondContact O-N 3.49Å
180T95.8Very high89Confident67 Ų6780.3 Ų80.341%0.41143%0.426SS..THydrogen-bonded Turntrans-134.2-12.1-174.356.10000113.7T177 F178 C195T177-T180 PolarHBondContact O-N 2.85Å; F178-T180 VanDerWaalsContact C-N 3.3Å; T180-C195 WeakPolarHBondContact O-CB 3.13Å; T180-C195 PolarHBondContact O-N 2.99Å; T180-C195 PolarHBondContact O-SG 3.42Å; T180-C195 VanDerWaalsContact O-SG 3.33Å
181H96.5Very high88.9Confident7 Ų780 Ų803%0.03242%0.419CS..EExtended strand (participates in β ladder)trans-133160.4-176.8-67.170000110.8D166 G167 T177 F178 C192 L193 R194D166-H181 IonicContact OD1-CE1 3.69Å; D166-H181 IonicContact OD2-CE1 3.81Å; D166-H181 IonicContact OD2-NE2 2.64Å; G167-H181 WeakPolarHBondContact CA-CE1 3.45Å; G167-H181 VanDerWaalsContact CA-CG 3.47Å; G167-H181 VanDerWaalsContact CA-ND1 3.34Å; G167-H181 WeakPolarHBondContact CA-ND1 3.46Å; G167-H181 WeakPolarHBondContact CA-NE2 3.28Å; G167-H181 PolarHBondContact N-CE1 3.17Å; T177-H181 WeakPolarHBondContact O-CB 3.27Å; T177-H181 PolarHBondContact O-N 3.36Å; F178-H181 WeakPolarHBondContact CA-O 3.38Å; H181-C192 HydrophobicContact CB-CB 4.49Å; H181-L193 CarbonylContact C-O 3.59Å; H181-L193 WeakPolarHBondContact CA-O 3.46Å; H181-L193 VanDerWaalsContact CB-O 3.29Å; H181-L193 WeakPolarHBondContact CB-O 3.45Å; H181-L193 VanDerWaalsContact CD2-C 3.4Å; H181-R194 VanDerWaalsContact CD2-CA 3.4Å; H181-R194 WeakPolarHBondContact CD2-CA 3.43Å; H181-R194 PolarHBondContact CD2-N 2.94Å; H181-R194 VanDerWaalsContact CD2-N 3.3Å
182F95Very high88.9Confident16 Ų1672.2 Ų72.27%0.0738%0.383CS..EExtended strand (participates in β ladder)trans-122.5156.1168.771.3-80.1000109.8L193 C203 G205 P206F182-L193 HydrophobicContact CD1-CB 4.17Å; F182-L193 WeakPolarHBondContact CD1-O 3.13Å; F182-L193 HydrophobicContact CE1-CB 3.57Å; F182-L193 HydrophobicContact CE2-CB 4.29Å; F182-L193 HydrophobicContact CE2-CD1 4.25Å; F182-L193 HydrophobicContact CZ-CB 3.63Å; F182-L193 HydrophobicContact CZ-CD1 3.84Å; F182-L193 HydrophobicContact CZ-CG 4.36Å; F182-L193 PolarHBondContact N-O 3.31Å; F182-L193 PolarHBondContact O-N 3.28Å; F182-C203 WeakPolarHBondContact CB-O 3.34Å; F182-C203 WeakPolarHBondContact CD1-SG 3.34Å; F182-G205 VanDerWaalsContact CE1-C 3.44Å; F182-P206 HydrophobicContact CE1-CB 3.94Å; F182-P206 HydrophobicContact CZ-CB 3.75Å; F182-P206 HydrophobicContact CZ-CG 4.07Å
183Q92.8Very high89Confident90 Ų9073 Ų7342%0.42139%0.387SS..EExtended strand (participates in β ladder)trans-89124.2177.1-178.3172.5-7.100110F178 I190F178-Q183 HydrophobicContact CE1-CB 4.1Å; F178-Q183 HydrophobicContact CZ-CB 4.44Å; Q183-I190 HydrophobicContact CG-CD1 4.24Å; Q183-I190 HydrophobicContact CG-CG1 3.9Å
184S90.1Very high89Confident35 Ų3581.3 Ų81.325%0.24542%0.419CS..EExtended strand (participates in β ladder)trans-81.9141.1170.5-172.70000111N186 S191S184-N186 PolarHBondContact O-N 3.43Å; S184-N186 VanDerWaalsContact O-N 3.17Å; S184-S191 PolarHBondContact N-O 2.85Å
185H78Confident89.3Confident184 Ų18478.6 Ų78.685%0.85241%0.405SS*.  trans-78.894.4175.4-69.9-80.7000110.2
186N72.7Confident89.5Confident107 Ų10775.3 Ų75.357%0.57239%0.392SS*.  trans-127.5139.7163.8-84.1-11.1000109.4S184 S188S184-N186 PolarHBondContact O-N 3.43Å; S184-N186 VanDerWaalsContact O-N 3.17Å; N186-S188 PolarHBondContact O-N 3.16Å
187D69.6Low89.6Confident179 Ų17980 Ų8096%0.95742%0.416SS*.SBendtrans-69.1-26.2-167.3-78.5-30000115.4
188S72.3Confident89.6Confident123 Ų12378 Ų7886%0.8640%0.403SS*.SBendtrans-103.7-17.6-168.1-49.60000115.3N186N186-S188 PolarHBondContact O-N 3.16Å
189S79.5Confident89.7Confident63 Ų6373.1 Ų73.144%0.44138%0.384SS..SBendtrans-158.6138.1-175.759.50000110.1S191S189-S191 PolarHBondContact O-N 2.83Å
190I86.9Confident89.8Confident35 Ų3568.3 Ų68.318%0.17937%0.367CS..  trans-61.4127.2169.3-174.8165.4000109.4Y168 D174 C176 Q183Y168-I190 HydrophobicContact CE1-CG2 4.32Å; D174-I190 WeakPolarHBondContact O-CD1 3.49Å; C176-I190 VanDerWaalsContact SG-CD1 3.56Å; Q183-I190 HydrophobicContact CG-CD1 4.24Å; Q183-I190 HydrophobicContact CG-CG1 3.9Å
191S91.4Very high89.7Confident26 Ų2669.3 Ų69.318%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-118.6109.6176.5179.20000108.9S184 S189S184-S191 PolarHBondContact N-O 2.85Å; S189-S191 PolarHBondContact O-N 2.83Å
192C94Very high89.7Confident10 Ų1069.1 Ų69.17%0.06838%0.377CS..EExtended strand (participates in β ladder)trans-92.7111.2177.4-52.60000109.2Y168 C176 H181Y168-C192 HydrophobicContact CD1-CB 4.29Å; Y168-C192 WeakPolarHBondContact CD1-SG 3.44Å; Y168-C192 HydrophobicContact CD2-CB 4.19Å; Y168-C192 HydrophobicContact CE1-CB 4Å; Y168-C192 WeakPolarHBondContact CE1-SG 3.47Å; Y168-C192 HydrophobicContact CE2-CB 3.87Å; Y168-C192 HydrophobicContact CG-CB 4.39Å; Y168-C192 PolarHBondContact OH-N 2.77Å; Y168-C192 VanDerWaalsContact OH-N 3.1Å; C176-C192 WeakPolarHBondContact CA-SG 3.49Å; C176-C192 HydrophobicContact CB-CB 3.86Å; C176-C192 WeakPolarHBondContact CB-SG 3.39Å; C176-C192 WeakPolarHBondContact SG-CA 3.33Å; C176-C192 WeakPolarHBondContact SG-CB 3.35Å; C176-C192 CovalentContact SG-SG 2.04Å; C176-C192 PolarHBondContact SG-SG 3.22Å; H181-C192 HydrophobicContact CB-CB 4.49Å
193L94.5Very high89.8Confident75 Ų7569 Ų6939%0.39338%0.378SS..EExtended strand (participates in β ladder)trans-107.7140.1-178.7-64.3179000110.1H181 F182H181-L193 CarbonylContact C-O 3.59Å; H181-L193 WeakPolarHBondContact CA-O 3.46Å; H181-L193 VanDerWaalsContact CB-O 3.29Å; H181-L193 WeakPolarHBondContact CB-O 3.45Å; H181-L193 VanDerWaalsContact CD2-C 3.4Å; F182-L193 HydrophobicContact CD1-CB 4.17Å; F182-L193 WeakPolarHBondContact CD1-O 3.13Å; F182-L193 HydrophobicContact CE1-CB 3.57Å; F182-L193 HydrophobicContact CE2-CB 4.29Å; F182-L193 HydrophobicContact CE2-CD1 4.25Å; F182-L193 HydrophobicContact CZ-CB 3.63Å; F182-L193 HydrophobicContact CZ-CD1 3.84Å; F182-L193 HydrophobicContact CZ-CG 4.36Å; F182-L193 PolarHBondContact N-O 3.31Å; F182-L193 PolarHBondContact O-N 3.28Å
194R96.1Very high89.9Confident175 Ų17569 Ų6966%0.6639%0.388SS*.EExtended strand (participates in β ladder)trans-68141.9-177.6-163.5175.967.9-175.22.1111H181H181-R194 VanDerWaalsContact CD2-CA 3.4Å; H181-R194 WeakPolarHBondContact CD2-CA 3.43Å; H181-R194 PolarHBondContact CD2-N 2.94Å; H181-R194 VanDerWaalsContact CD2-N 3.3Å
195C96.9Very high90.1Very high13 Ų1367.6 Ų67.69%0.08838%0.378CS..PPolyproline II helixtrans-61.8158.9171-64.10000112.1T180 C199 C203T180-C195 WeakPolarHBondContact O-CB 3.13Å; T180-C195 PolarHBondContact O-N 2.99Å; T180-C195 PolarHBondContact O-SG 3.42Å; T180-C195 VanDerWaalsContact O-SG 3.33Å; C195-C199 HydrophobicContact CB-CB 3.97Å; C195-C203 WeakPolarHBondContact CA-SG 3.4Å; C195-C203 HydrophobicContact CB-CB 3.72Å; C195-C203 WeakPolarHBondContact CB-SG 3.47Å; C195-C203 WeakPolarHBondContact SG-CB 3.07Å; C195-C203 PolarHBondContact SG-N 3.2Å; C195-C203 CovalentContact SG-SG 2.02Å; C195-C203 PolarHBondContact SG-SG 3.27Å
196H97Very high90.8Very high58 Ų5861.6 Ų61.627%0.26936%0.356SS..PPolyproline II helixtrans-58.9146.3169-168.1-94.5000109.8S198 C199H196-S198 WeakPolarHBondContact ND1-CB 3.4Å; H196-S198 PolarHBondContact ND1-N 2.99Å; H196-S198 VanDerWaalsContact ND1-N 3.15Å; H196-S198 PolarHBondContact ND1-OG 3.46Å; H196-S198 PolarHBondContact O-N 3.05Å; H196-C199 WeakPolarHBondContact O-CB 3.47Å; H196-C199 PolarHBondContact O-N 3.34Å
197L96.4Very high91.9Very high104 Ų10463 Ų6355%0.54535%0.354SS..THydrogen-bonded Turntrans-62.9-16.4-177.862.586.8000113.8C199 W218 P251L197-C199 VanDerWaalsContact C-N 3.29Å; L197-W218 HydrophobicContact CD1-CH2 3.72Å; L197-W218 HydrophobicContact CD1-CZ2 3.07Å; L197-W218 HydrophobicContact CG-CZ2 4.47Å; L197-P251 HydrophobicContact CD1-CB 4.2Å
198S96.7Very high93.1Very high0 Ų056 Ų560%032%0.319CS..THydrogen-bonded Turntrans-81-8.4174.366.90000113.3H196 C211 C214 A215 C229H196-S198 WeakPolarHBondContact ND1-CB 3.4Å; H196-S198 PolarHBondContact ND1-N 2.99Å; H196-S198 VanDerWaalsContact ND1-N 3.15Å; H196-S198 PolarHBondContact ND1-OG 3.46Å; H196-S198 PolarHBondContact O-N 3.05Å; S198-C211 PolarHBondContact OG-SG 3Å; S198-C214 CarbonylContact O-C 3.56Å; S198-C214 WeakPolarHBondContact O-CA 3.48Å; S198-A215 PolarHBondContact O-N 3.31Å; S198-C229 WeakPolarHBondContact OG-CB 3.17Å
199C97.4Very high94.1Very high19 Ų1954.8 Ų54.813%0.12830%0.299CS..EExtended strand (participates in β ladder)trans-89.4141.8-179.3-52.50000111.5C195 H196 L197 C203 C211 A213C195-C199 HydrophobicContact CB-CB 3.97Å; H196-C199 WeakPolarHBondContact O-CB 3.47Å; H196-C199 PolarHBondContact O-N 3.34Å; L197-C199 VanDerWaalsContact C-N 3.29Å; C199-C203 HydrophobicContact CB-CB 4.42Å; C199-C211 WeakPolarHBondContact CA-SG 3.42Å; C199-C211 HydrophobicContact CB-CB 3.58Å; C199-C211 WeakPolarHBondContact CB-SG 3.06Å; C199-C211 PolarHBondContact N-SG 3.45Å; C199-C211 VanDerWaalsContact N-SG 3.44Å; C199-C211 WeakPolarHBondContact SG-CA 3.36Å; C199-C211 WeakPolarHBondContact SG-CB 3.31Å; C199-C211 CovalentContact SG-SG 2.03Å; C199-C211 PolarHBondContact SG-SG 2.91Å; C199-A213 CarbonylContact C-O 3.53Å; C199-A213 WeakPolarHBondContact CA-O 3.45Å
200S96.1Very high94.8Very high48 Ų4853.7 Ų53.734%0.33629%0.289SS..EExtended strand (participates in β ladder)trans-122.6147166.4176.80000108.8G202 A213S200-G202 VanDerWaalsContact C-N 3.28Å; S200-G202 PolarHBondContact O-N 3.42Å; S200-A213 PolarHBondContact N-O 3.05Å; S200-A213 PolarHBondContact O-N 2.71Å
201S94.5Very high95.3Very high88 Ų8853 Ų5362%0.61529%0.287SS*.EExtended strand (participates in β ladder)trans60.832.2176-47.70000114.6
202G95.9Very high95.5Very high3 Ų355.9 Ų55.93%0.03131%0.306CS..EExtended strand (participates in β ladder)trans99.8177.6174.900000115.4F178 E179 S200 S212F178-G202 WeakPolarHBondContact O-CA 3.16Å; E179-G202 WeakPolarHBondContact O-CA 3.43Å; E179-G202 PolarHBondContact O-N 3.49Å; S200-G202 VanDerWaalsContact C-N 3.28Å; S200-G202 PolarHBondContact O-N 3.42Å; G202-S212 PolarHBondContact O-N 3.16Å; G202-S212 PolarHBondContact O-OG 3.29Å
203C96.7Very high95.6Very high13 Ų1357.2 Ų57.29%0.08832%0.319CS..EExtended strand (participates in β ladder)trans-157.7160.6179.5630000110.9F182 C195 C199 G205 N210F182-C203 WeakPolarHBondContact CB-O 3.34Å; F182-C203 WeakPolarHBondContact CD1-SG 3.34Å; C195-C203 WeakPolarHBondContact CA-SG 3.4Å; C195-C203 HydrophobicContact CB-CB 3.72Å; C195-C203 WeakPolarHBondContact CB-SG 3.47Å; C195-C203 WeakPolarHBondContact SG-CB 3.07Å; C195-C203 PolarHBondContact SG-N 3.2Å; C195-C203 CovalentContact SG-SG 2.02Å; C195-C203 PolarHBondContact SG-SG 3.27Å; C199-C203 HydrophobicContact CB-CB 4.42Å; C203-G205 PolarHBondContact SG-O 3.44Å; C203-N210 CarbonylContact C-O 3.53Å; C203-N210 WeakPolarHBondContact CA-O 3.49Å; C203-N210 WeakPolarHBondContact CB-O 3.48Å
204S94.6Very high95.7Very high92 Ų9255.1 Ų55.164%0.64331%0.31SS*.SBendtrans-97.60.1173.570.30000113.6N210S204-N210 PolarHBondContact N-O 2.97Å; S204-N210 WeakPolarHBondContact OG-CB 3.41Å; S204-N210 PolarHBondContact OG-ND2 3.42Å
205G94.5Very high95.7Very high4 Ų447.7 Ų47.74%0.04129%0.286CS..SBendtrans-178.7178.4-168.400000112.5F182 C203 Y207 N210F182-G205 VanDerWaalsContact CE1-C 3.44Å; C203-G205 PolarHBondContact SG-O 3.44Å; G205-Y207 VanDerWaalsContact C-N 3.33Å; G205-Y207 PolarHBondContact O-N 2.99Å; G205-N210 WeakPolarHBondContact CA-OD1 3.43Å
206P94Very high95.7Very high58 Ų5852.3 Ų52.338%0.37732%0.318SS..SBendtrans-82.9-7.1-169.531.9-33.6000114.3F182F182-P206 HydrophobicContact CE1-CB 3.94Å; F182-P206 HydrophobicContact CZ-CB 3.75Å; F182-P206 HydrophobicContact CZ-CG 4.07Å
207Y94.4Very high95.7Very high137 Ų13750.4 Ų50.454%0.53731%0.314SS..SBendtrans-106.9159.5-169.3-55.1-67.3000113G205 E209 N210G205-Y207 VanDerWaalsContact C-N 3.33Å; G205-Y207 PolarHBondContact O-N 2.99Å; Y207-E209 WeakPolarHBondContact CB-OE1 3.45Å; Y207-E209 WeakPolarHBondContact CB-OE2 3.43Å; Y207-E209 PolarHBondContact O-N 3.34Å; Y207-N210 PolarHBondContact N-OD1 3.27Å; Y207-N210 WeakPolarHBondContact O-CB 3.26Å; Y207-N210 PolarHBondContact O-N 2.84Å
208P94.8Very high95.7Very high33 Ų3347 Ų4721%0.21429%0.294CS..G310 helixtrans-57.9-26.1178.4-23.532.9000115.1N210 C211 G228 C229P208-N210 PolarHBondContact O-N 3.5Å; P208-C211 PolarHBondContact O-SG 2.93Å; P208-G228 WeakPolarHBondContact O-CA 3.13Å; P208-C229 WeakPolarHBondContact CB-O 3.5Å; P208-C229 PolarHBondContact O-N 3.34Å; P208-C229 VanDerWaalsContact O-N 3.08Å
209E93.9Very high95.6Very high97 Ų9750 Ų5045%0.45331%0.313SS..G310 helixtrans-74.4-12.5174.465.9-92.7-155.800114.1Y207 R227Y207-E209 WeakPolarHBondContact CB-OE1 3.45Å; Y207-E209 WeakPolarHBondContact CB-OE2 3.43Å; Y207-E209 PolarHBondContact O-N 3.34Å; E209-R227 HydrophobicContact CB-CG 4.39Å
210N94.6Very high95.5Very high40 Ų4055 Ų5521%0.21433%0.334CS..G310 helixtrans-96.42179.8-59.1130.5000113.2C203 S204 G205 Y207 P208C203-N210 CarbonylContact C-O 3.53Å; C203-N210 WeakPolarHBondContact CA-O 3.49Å; C203-N210 WeakPolarHBondContact CB-O 3.48Å; S204-N210 PolarHBondContact N-O 2.97Å; S204-N210 WeakPolarHBondContact OG-CB 3.41Å; S204-N210 PolarHBondContact OG-ND2 3.42Å; G205-N210 WeakPolarHBondContact CA-OD1 3.43Å; Y207-N210 PolarHBondContact N-OD1 3.27Å; Y207-N210 WeakPolarHBondContact O-CB 3.26Å; Y207-N210 PolarHBondContact O-N 2.84Å; P208-N210 PolarHBondContact O-N 3.5Å
211C96.2Very high95.3Very high20 Ų2056.3 Ų56.314%0.13534%0.336CS..EExtended strand (participates in β ladder)trans-66.3138.5179.7-60.30000111.3S198 C199 P208 C229S198-C211 PolarHBondContact OG-SG 3Å; C199-C211 WeakPolarHBondContact CA-SG 3.42Å; C199-C211 HydrophobicContact CB-CB 3.58Å; C199-C211 WeakPolarHBondContact CB-SG 3.06Å; C199-C211 PolarHBondContact N-SG 3.45Å; C199-C211 VanDerWaalsContact N-SG 3.44Å; C199-C211 WeakPolarHBondContact SG-CA 3.36Å; C199-C211 WeakPolarHBondContact SG-CB 3.31Å; C199-C211 CovalentContact SG-SG 2.03Å; C199-C211 PolarHBondContact SG-SG 2.91Å; P208-C211 PolarHBondContact O-SG 2.93Å; C211-C229 VanDerWaalsContact CB-SG 3.6Å
212S96Very high94.8Very high86 Ų8657.9 Ų57.960%0.60134%0.337SS*.EExtended strand (participates in β ladder)trans-74.9-29.9172.2-61.40000112.3G202G202-S212 PolarHBondContact O-N 3.16Å; G202-S212 PolarHBondContact O-OG 3.29Å
213A95.8Very high94Very high39 Ų3962.4 Ų62.432%0.32237%0.369SS..EExtended strand (participates in β ladder)trans-152.4160.8168.400000109C199 S200C199-A213 CarbonylContact C-O 3.53Å; C199-A213 WeakPolarHBondContact CA-O 3.45Å; S200-A213 PolarHBondContact N-O 3.05Å; S200-A213 PolarHBondContact O-N 2.71Å
214C96.9Very high92.9Very high30 Ų3065.2 Ų65.220%0.20340%0.4CS..EExtended strand (participates in β ladder)trans-82.4140.5174.6-57.60000111.9S198 W218 C229S198-C214 CarbonylContact O-C 3.56Å; S198-C214 WeakPolarHBondContact O-CA 3.48Å; C214-W218 HydrophobicContact CB-CB 3.93Å; C214-C229 WeakPolarHBondContact CA-SG 3.5Å; C214-C229 HydrophobicContact CB-CB 3.82Å; C214-C229 WeakPolarHBondContact CB-SG 3.24Å; C214-C229 WeakPolarHBondContact SG-CA 3.37Å; C214-C229 WeakPolarHBondContact SG-CB 3.36Å; C214-C229 CovalentContact SG-SG 2.04Å; C214-C229 PolarHBondContact SG-SG 3.37Å
215A97.1Very high92Very high20 Ų2069.4 Ų69.417%0.16542%0.415CS..PPolyproline II helixtrans-68.8164.7171.300000111.3S198 G217 W218S198-A215 PolarHBondContact O-N 3.31Å; A215-G217 PolarHBondContact O-N 2.8Å; A215-W218 WeakPolarHBondContact O-CB 3.32Å; A215-W218 PolarHBondContact O-N 3.38Å
216S96.4Very high91Very high109 Ų10975 Ų7576%0.76244%0.44SS*.THydrogen-bonded Turntrans-57.6138.3172.455.20000111W218S216-W218 VanDerWaalsContact C-N 3.29Å
217G96.3Very high90.8Very high18 Ų1881 Ų8119%0.18646%0.455CS..THydrogen-bonded Turntrans843.5-173.300000113.6A215 I232A215-G217 PolarHBondContact O-N 2.8Å; G217-I232 WeakPolarHBondContact O-CB 3.48Å; G217-I232 WeakPolarHBondContact O-CG1 3.3Å; G217-I232 PolarHBondContact O-N 3.28Å
218W97.1Very high90.8Very high33 Ų3374.8 Ų74.813%0.12543%0.433CS..EExtended strand (participates in β ladder)trans-124.5145.1177-57.279.4000110.7L197 C214 A215 S216 C229 V230 D231 P251L197-W218 HydrophobicContact CD1-CH2 3.72Å; L197-W218 HydrophobicContact CD1-CZ2 3.07Å; L197-W218 HydrophobicContact CG-CZ2 4.47Å; C214-W218 HydrophobicContact CB-CB 3.93Å; A215-W218 WeakPolarHBondContact O-CB 3.32Å; A215-W218 PolarHBondContact O-N 3.38Å; S216-W218 VanDerWaalsContact C-N 3.29Å; W218-C229 HydrophobicContact CB-CB 4.24Å; W218-V230 CarbonylContact C-O 3.5Å; W218-V230 VanDerWaalsContact CA-O 3.26Å; W218-V230 WeakPolarHBondContact CA-O 3.28Å; W218-D231 HydrophobicContact CE3-CB 4.08Å; W218-D231 HydrophobicContact CH2-CB 3.92Å; W218-D231 HydrophobicContact CZ2-CB 4.45Å; W218-D231 HydrophobicContact CZ3-CB 3.73Å; W218-P251 HydrophobicContact CH2-CB 3.91Å; W218-P251 HydrophobicContact CZ2-CB 3.72Å
219T94.7Very high90.8Very high63 Ų6373.5 Ų73.539%0.38743%0.425SS..EExtended strand (participates in β ladder)trans-119.6143.5174.2-172.50000110.2C229 V230 I232T219-C229 WeakPolarHBondContact O-CA 3.19Å; T219-V230 HydrophobicContact CG2-CG2 3.58Å; T219-V230 PolarHBondContact N-O 3.31Å; T219-V230 WeakPolarHBondContact O-CG2 3.3Å; T219-V230 PolarHBondContact O-N 2.85Å; T219-I232 HydrophobicContact CG2-CG1 4.13Å
220E95.1Very high90.9Very high125 Ų12570.2 Ų70.258%0.58441%0.411SS*.EExtended strand (participates in β ladder)trans-73.8129.2174.1-167166.9-161.800109.4
221M91.8Very high90.9Very high75 Ų7570.5 Ų70.537%0.36941%0.413SS..EExtended strand (participates in β ladder)trans-118.8127.2170.6-81.1-166.3-17500110.3Q226 R227 G228 V230M221-Q226 WeakPolarHBondContact CB-O 3.39Å; M221-Q226 HydrophobicContact SD-CB 4.25Å; M221-R227 CarbonylContact O-C 3.45Å; M221-R227 WeakPolarHBondContact O-CA 3.44Å; M221-G228 PolarHBondContact N-O 2.71Å; M221-G228 PolarHBondContact O-N 3.21Å; M221-V230 HydrophobicContact CB-CG1 4.22Å; M221-V230 HydrophobicContact CB-CG2 4.27Å; M221-V230 HydrophobicContact CE-CG2 3.62Å; M221-V230 HydrophobicContact CG-CG1 4.31Å; M221-V230 HydrophobicContact CG-CG2 3.57Å; M221-V230 HydrophobicContact SD-CB 4.42Å; M221-V230 HydrophobicContact SD-CG1 4.1Å; M221-V230 HydrophobicContact SD-CG2 3.59Å; M221-V230 VanDerWaalsContact SD-CG2 3.59Å
222D83.6Confident90.9Very high120 Ų12072.7 Ų72.764%0.64242%0.423SS*.  trans-108.910.2-178.1-73.1-35000113.4
223S79.1Confident90.9Very high99 Ų9972.3 Ų72.369%0.69241%0.414SS*.SBendtrans-134.9135.4-168.1-68.30000113.3
224G73.3Confident90.9Very high72 Ų7272 Ų7274%0.74241%0.406SS*.THydrogen-bonded Turntrans76.5-156.817700000114Q226G224-Q226 PolarHBondContact O-N 3.25Å
225D76.7Confident90.8Very high179 Ų17971.9 Ų71.996%0.95741%0.405SS*.THydrogen-bonded Turntrans-71.4-6.2-179.5-63.5-34.3000113.4
226Q74.3Confident90.7Very high121 Ų12176 Ų7657%0.56543%0.428SS*.  trans-109.866.7-175.8-68.6-178.5-20.900110.7M221 G224 V230M221-Q226 WeakPolarHBondContact CB-O 3.39Å; M221-Q226 HydrophobicContact SD-CB 4.25Å; G224-Q226 PolarHBondContact O-N 3.25Å; Q226-V230 HydrophobicContact CB-CG1 4.21Å
227R89.5Confident90.5Very high184 Ų18477.7 Ų77.769%0.69443%0.428SS*.  trans-83.6138.8174.3-170.5175.6-177.1-173.9-0.8110.9E209 M221E209-R227 HydrophobicContact CB-CG 4.39Å; M221-R227 CarbonylContact O-C 3.45Å; M221-R227 WeakPolarHBondContact O-CA 3.44Å
228G93.3Very high90.1Very high8 Ų878.8 Ų78.88%0.08243%0.433CS..EExtended strand (participates in β ladder)trans103.7-160.817500000113.5P208 M221 V230P208-G228 WeakPolarHBondContact O-CA 3.13Å; M221-G228 PolarHBondContact N-O 2.71Å; M221-G228 PolarHBondContact O-N 3.21Å; G228-V230 PolarHBondContact O-N 3.13Å
229C96.1Very high90Very high6 Ų679.8 Ų79.84%0.04144%0.444CS..EExtended strand (participates in β ladder)trans-78.7111-178.3-61.90000111.3S198 P208 C211 C214 W218 T219S198-C229 WeakPolarHBondContact OG-CB 3.17Å; P208-C229 WeakPolarHBondContact CB-O 3.5Å; P208-C229 PolarHBondContact O-N 3.34Å; P208-C229 VanDerWaalsContact O-N 3.08Å; C211-C229 VanDerWaalsContact CB-SG 3.6Å; C214-C229 WeakPolarHBondContact CA-SG 3.5Å; C214-C229 HydrophobicContact CB-CB 3.82Å; C214-C229 WeakPolarHBondContact CB-SG 3.24Å; C214-C229 WeakPolarHBondContact SG-CA 3.37Å; C214-C229 WeakPolarHBondContact SG-CB 3.36Å; C214-C229 CovalentContact SG-SG 2.04Å; C214-C229 PolarHBondContact SG-SG 3.37Å; W218-C229 HydrophobicContact CB-CB 4.24Å; T219-C229 WeakPolarHBondContact O-CA 3.19Å
230V94.5Very high89.9Confident28 Ų2877.4 Ų77.417%0.1743%0.429CS..EExtended strand (participates in β ladder)trans-104.8149.7176.6-56.40000111.2W218 T219 M221 Q226 G228W218-V230 CarbonylContact C-O 3.5Å; W218-V230 VanDerWaalsContact CA-O 3.26Å; W218-V230 WeakPolarHBondContact CA-O 3.28Å; T219-V230 HydrophobicContact CG2-CG2 3.58Å; T219-V230 PolarHBondContact N-O 3.31Å; T219-V230 WeakPolarHBondContact O-CG2 3.3Å; T219-V230 PolarHBondContact O-N 2.85Å; M221-V230 HydrophobicContact CB-CG1 4.22Å; M221-V230 HydrophobicContact CB-CG2 4.27Å; M221-V230 HydrophobicContact CE-CG2 3.62Å; M221-V230 HydrophobicContact CG-CG1 4.31Å; M221-V230 HydrophobicContact CG-CG2 3.57Å; M221-V230 HydrophobicContact SD-CB 4.42Å; M221-V230 HydrophobicContact SD-CG1 4.1Å; M221-V230 HydrophobicContact SD-CG2 3.59Å; M221-V230 VanDerWaalsContact SD-CG2 3.59Å; Q226-V230 HydrophobicContact CB-CG1 4.21Å; G228-V230 PolarHBondContact O-N 3.13Å
231D95.5Very high89.8Confident46 Ų4676 Ų7625%0.24643%0.426CS..EExtended strand (participates in β ladder)trans-66.8130.7-177.6-174.656.2000111W218 N233 N249 P251 G252W218-D231 HydrophobicContact CE3-CB 4.08Å; W218-D231 HydrophobicContact CH2-CB 3.92Å; W218-D231 HydrophobicContact CZ2-CB 4.45Å; W218-D231 HydrophobicContact CZ3-CB 3.73Å; D231-N233 PolarHBondContact O-N 3Å; D231-N249 PolarHBondContact OD2-ND2 3.28Å; D231-P251 WeakPolarHBondContact OD1-CA 3.05Å; D231-G252 PolarHBondContact OD1-N 2.83Å
232I95.8Very high89.6Confident66 Ų6680.5 Ų80.534%0.33844%0.439SS..  trans-77.2120173.9-63.5172.8000107G217 T219 E234 N249G217-I232 WeakPolarHBondContact O-CB 3.48Å; G217-I232 WeakPolarHBondContact O-CG1 3.3Å; G217-I232 PolarHBondContact O-N 3.28Å; T219-I232 HydrophobicContact CG2-CG1 4.13Å; I232-E234 HydrophobicContact CG2-CG 4.17Å; I232-E234 PolarHBondContact O-N 2.81Å; I232-N249 PolarHBondContact O-OD1 3.34Å
233N95.5Very high89.7Confident77 Ų7777.3 Ų77.341%0.41243%0.426SS..  trans-8086.3174-174.3-10.4000110.5D231 C235 V236 N249D231-N233 PolarHBondContact O-N 3Å; N233-C235 PolarHBondContact O-N 3.32Å; N233-C235 VanDerWaalsContact O-N 3.15Å; N233-C235 WeakPolarHBondContact OD1-CB 3.31Å; N233-C235 PolarHBondContact OD1-N 3.49Å; N233-V236 HydrophobicContact CB-CG2 4.12Å; N233-V236 PolarHBondContact O-N 3.1Å; N233-N249 WeakPolarHBondContact CA-OD1 3.33Å
234E96.2Very high90.3Very high34 Ų3475.6 Ų75.616%0.15941%0.411CS..G310 helixtrans-63.7-23.7-176.8-56.391.7164.400111.9I232 V236 D237 P239 N249 Y254I232-E234 HydrophobicContact CG2-CG 4.17Å; I232-E234 PolarHBondContact O-N 2.81Å; E234-V236 PolarHBondContact O-N 3.03Å; E234-V236 VanDerWaalsContact O-N 3.1Å; E234-D237 PolarHBondContact O-N 3.42Å; E234-P239 HydrophobicContact CB-CG 4.36Å; E234-P239 WeakPolarHBondContact O-CD 3.34Å; E234-N249 PolarHBondContact OE2-OD1 2.04Å; E234-Y254 HydrophobicContact CB-CD1 3.58Å; E234-Y254 HydrophobicContact CB-CE1 4.28Å; E234-Y254 HydrophobicContact CB-CG 4.01Å; E234-Y254 HydrophobicContact CG-CD1 3.78Å; E234-Y254 HydrophobicContact CG-CE1 4.42Å
235C95.2Very high91.3Very high27 Ų2775.2 Ų75.218%0.18239%0.39CS..G310 helixtrans-63.3-17.4178.7-61.30000114.1N233 D237 S238 C247 N249N233-C235 PolarHBondContact O-N 3.32Å; N233-C235 VanDerWaalsContact O-N 3.15Å; N233-C235 WeakPolarHBondContact OD1-CB 3.31Å; N233-C235 PolarHBondContact OD1-N 3.49Å; C235-D237 VanDerWaalsContact C-N 3.33Å; C235-S238 PolarHBondContact O-N 3.39Å; C235-C247 WeakPolarHBondContact CA-SG 3.37Å; C235-C247 HydrophobicContact CB-CB 3.68Å; C235-C247 WeakPolarHBondContact CB-SG 3.07Å; C235-C247 WeakPolarHBondContact SG-CB 3.49Å; C235-C247 CovalentContact SG-SG 2.04Å; C235-C247 PolarHBondContact SG-SG 3.43Å; C235-N249 PolarHBondContact SG-N 3.3Å; C235-N249 VanDerWaalsContact SG-N 3.39Å
236V94.5Very high92.1Very high106 Ų10667.3 Ų67.364%0.64235%0.347SS*.G310 helixtrans-62.9-41.3172.1177.60000110.9N233 E234 S238N233-V236 HydrophobicContact CB-CG2 4.12Å; N233-V236 PolarHBondContact O-N 3.1Å; E234-V236 PolarHBondContact O-N 3.03Å; E234-V236 VanDerWaalsContact O-N 3.1Å; V236-S238 PolarHBondContact O-N 3.17Å
237D92.8Very high93.2Very high145 Ų14563.1 Ų63.178%0.77533%0.331SS*.G310 helixtrans-79.5-2.2178.9-69.2-25.2000113E234 C235E234-D237 PolarHBondContact O-N 3.42Å; C235-D237 VanDerWaalsContact C-N 3.33Å
238S88.6Confident93.4Very high40 Ų4057.5 Ų57.528%0.2831%0.314SS..  trans53.160.3178.3-60.90000114.3C235 V236 C240 R242C235-S238 PolarHBondContact O-N 3.39Å; V236-S238 PolarHBondContact O-N 3.17Å; S238-C240 VanDerWaalsContact C-N 3.26Å; S238-C240 PolarHBondContact O-N 3.41Å; S238-R242 PolarHBondContact OG-NE 2.89Å; S238-R242 PolarHBondContact OG-NH2 3.12Å
239P93.5Very high93.5Very high55 Ų5559.9 Ų59.936%0.35733%0.325SS..  trans-71.9-17.3-176.330.2-38.1000113.7E234 Y254E234-P239 HydrophobicContact CB-CG 4.36Å; E234-P239 WeakPolarHBondContact O-CD 3.34Å; P239-Y254 HydrophobicContact CB-CD2 4.3Å; P239-Y254 HydrophobicContact CB-CE1 4.28Å; P239-Y254 HydrophobicContact CB-CE2 3.61Å; P239-Y254 HydrophobicContact CG-CD1 4.32Å; P239-Y254 HydrophobicContact CG-CD2 3.55Å; P239-Y254 HydrophobicContact CG-CE1 4.2Å; P239-Y254 HydrophobicContact CG-CE2 3.38Å; P239-Y254 HydrophobicContact CG-CG 4.03Å
240C93.7Very high93.5Very high12 Ų1262.8 Ų62.88%0.08134%0.337CS..SBendtrans-88153.6-179.5-57.40000112S238 R242 H245 C247 C256S238-C240 VanDerWaalsContact C-N 3.26Å; S238-C240 PolarHBondContact O-N 3.41Å; C240-R242 PolarHBondContact O-N 2.77Å; C240-H245 HydrophobicContact CB-CB 4.29Å; C240-C247 HydrophobicContact CB-CB 4.28Å; C240-C247 VanDerWaalsContact SG-CB 3.58Å; C240-C256 VanDerWaalsContact CA-SG 3.54Å; C240-C256 HydrophobicContact CB-CB 3.88Å; C240-C256 WeakPolarHBondContact CB-SG 3.43Å; C240-C256 WeakPolarHBondContact SG-CA 3.09Å; C240-C256 WeakPolarHBondContact SG-CB 3.48Å; C240-C256 CovalentContact SG-SG 2.04Å; C240-C256 PolarHBondContact SG-SG 3.05Å
241N93Very high93.6Very high97 Ų9765.7 Ų65.752%0.51936%0.356SS..  trans-68.4100.6171.5-177.31.1000110.8S243 T244 H245N241-S243 PolarHBondContact ND2-OG 3.27Å; N241-S243 PolarHBondContact O-N 3.18Å; N241-S243 PolarHBondContact OD1-N 3.11Å; N241-S243 VanDerWaalsContact OD1-N 3.12Å; N241-S243 PolarHBondContact OD1-OG 3.45Å; N241-T244 PolarHBondContact ND2-OG1 2.85Å; N241-T244 PolarHBondContact O-N 3.39Å; N241-H245 PolarHBondContact O-N 2.83Å; N241-H245 VanDerWaalsContact O-O 3.12Å
242R87.1Confident93.5Very high169 Ų16964.5 Ų64.564%0.63836%0.355SS*.THydrogen-bonded Turntrans-54.1-19.3-179.2-68.8-168-175.8137.5-7.8114.9S238 C240 K265S238-R242 PolarHBondContact OG-NE 2.89Å; S238-R242 PolarHBondContact OG-NH2 3.12Å; C240-R242 PolarHBondContact O-N 2.77Å; R242-K265 WeakPolarHBondContact O-CG 3.46Å
243S86.4Confident93.5Very high53 Ų5364 Ų6437%0.37136%0.358SS..THydrogen-bonded Turntrans-77.8-22.8179740000114.2N241N241-S243 PolarHBondContact ND2-OG 3.27Å; N241-S243 PolarHBondContact O-N 3.18Å; N241-S243 PolarHBondContact OD1-N 3.11Å; N241-S243 VanDerWaalsContact OD1-N 3.12Å; N241-S243 PolarHBondContact OD1-OG 3.45Å
244T91Very high93.6Very high62 Ų6265.2 Ų65.238%0.3836%0.357SS..THydrogen-bonded Turntrans-133.1-24.1-169.447.10000113.5N241 C259N241-T244 PolarHBondContact ND2-OG1 2.85Å; N241-T244 PolarHBondContact O-N 3.39Å; T244-C259 PolarHBondContact O-N 3.18Å
245H95.2Very high93.6Very high65 Ų6568 Ų6830%0.30137%0.37SS..EExtended strand (participates in β ladder)trans-131.4148.2-175.7-62.873.6000110.1C240 N241 C256 V257C240-H245 HydrophobicContact CB-CB 4.29Å; N241-H245 PolarHBondContact O-N 2.83Å; N241-H245 VanDerWaalsContact O-O 3.12Å; H245-C256 HydrophobicContact CB-CB 4.14Å; H245-V257 CarbonylContact C-O 3.38Å; H245-V257 VanDerWaalsContact CA-O 3.22Å; H245-V257 WeakPolarHBondContact CA-O 3.15Å; H245-V257 WeakPolarHBondContact CB-O 3.18Å
246F93.7Very high93.7Very high13 Ų1369.1 Ų69.16%0.05738%0.377CS..EExtended strand (participates in β ladder)trans-105.6155.416474.6-80000109.7L248 C256 V257 G268 P269F246-L248 HydrophobicContact CD2-CD2 4.17Å; F246-L248 HydrophobicContact CD2-CG 4.11Å; F246-L248 HydrophobicContact CE2-CD1 3.93Å; F246-L248 HydrophobicContact CE2-CD2 3.43Å; F246-L248 VanDerWaalsContact CE2-CD2 3.43Å; F246-L248 HydrophobicContact CE2-CG 3.4Å; F246-L248 HydrophobicContact CZ-CD1 4.08Å; F246-L248 HydrophobicContact CZ-CD2 4.34Å; F246-L248 HydrophobicContact CZ-CG 4.04Å; F246-C256 WeakPolarHBondContact O-CA 3.31Å; F246-V257 HydrophobicContact CD1-CB 4.01Å; F246-V257 HydrophobicContact CD1-CG1 4.34Å; F246-V257 WeakPolarHBondContact CD1-O 3.38Å; F246-V257 HydrophobicContact CE1-CB 3.35Å; F246-V257 HydrophobicContact CE1-CG1 3.35Å; F246-V257 HydrophobicContact CE2-CB 4.32Å; F246-V257 HydrophobicContact CZ-CB 3.52Å; F246-V257 HydrophobicContact CZ-CG1 3.63Å; F246-V257 HydrophobicContact CZ-CG2 4.24Å; F246-V257 PolarHBondContact N-O 2.91Å; F246-V257 PolarHBondContact O-N 2.9Å; F246-G268 VanDerWaalsContact CE1-C 3.46Å; F246-P269 VanDerWaalsContact CE1-CA 3.47Å; F246-P269 HydrophobicContact CE1-CB 3.71Å; F246-P269 HydrophobicContact CE1-CG 4.41Å; F246-P269 HydrophobicContact CZ-CB 3.68Å; F246-P269 VanDerWaalsContact CZ-CD 3.45Å; F246-P269 HydrophobicContact CZ-CG 3.93Å
247C95.7Very high93.7Very high32 Ų3265.3 Ų65.322%0.21635%0.354CS..EExtended strand (participates in β ladder)trans-95.5130.8-178.8-174.40000110.6C235 C240C235-C247 WeakPolarHBondContact CA-SG 3.37Å; C235-C247 HydrophobicContact CB-CB 3.68Å; C235-C247 WeakPolarHBondContact CB-SG 3.07Å; C235-C247 WeakPolarHBondContact SG-CB 3.49Å; C235-C247 CovalentContact SG-SG 2.04Å; C235-C247 PolarHBondContact SG-SG 3.43Å; C240-C247 HydrophobicContact CB-CB 4.28Å; C240-C247 VanDerWaalsContact SG-CB 3.58Å
248L95.1Very high93.8Very high66 Ų6662.2 Ų62.235%0.34634%0.342SS..EExtended strand (participates in β ladder)trans-110.5124.2168.8-74.5-179.4000110F246 Y254 E255 V257F246-L248 HydrophobicContact CD2-CD2 4.17Å; F246-L248 HydrophobicContact CD2-CG 4.11Å; F246-L248 HydrophobicContact CE2-CD1 3.93Å; F246-L248 HydrophobicContact CE2-CD2 3.43Å; F246-L248 VanDerWaalsContact CE2-CD2 3.43Å; F246-L248 HydrophobicContact CE2-CG 3.4Å; F246-L248 HydrophobicContact CZ-CD1 4.08Å; F246-L248 HydrophobicContact CZ-CD2 4.34Å; F246-L248 HydrophobicContact CZ-CG 4.04Å; L248-Y254 CarbonylContact O-C 3.55Å; L248-Y254 VanDerWaalsContact O-CA 3.31Å; L248-Y254 WeakPolarHBondContact O-CA 3.14Å; L248-E255 HydrophobicContact CB-CB 4.32Å; L248-E255 PolarHBondContact N-O 2.89Å; L248-E255 PolarHBondContact O-N 3.44Å; L248-V257 HydrophobicContact CD1-CB 4.39Å; L248-V257 HydrophobicContact CD1-CG2 3.53Å; L248-V257 HydrophobicContact CG-CG2 4.15Å
249N95.3Very high94.1Very high58 Ų5861.4 Ų61.431%0.3134%0.336SS..EExtended strand (participates in β ladder)trans-77129.7174.3-167.155.2000110.4D231 I232 N233 E234 C235D231-N249 PolarHBondContact OD2-ND2 3.28Å; I232-N249 PolarHBondContact O-OD1 3.34Å; N233-N249 WeakPolarHBondContact CA-OD1 3.33Å; E234-N249 PolarHBondContact OE2-OD1 2.04Å; C235-N249 PolarHBondContact SG-N 3.3Å; C235-N249 VanDerWaalsContact SG-N 3.39Å
250K95.8Very high94.1Very high68 Ų6862.4 Ų62.430%0.29634%0.336SS..EExtended strand (participates in β ladder)trans-123.8150.4177.7-65.2-73.9-169.51620108.8G252 S253 E255K250-G252 PolarHBondContact O-N 3.32Å; K250-S253 CarbonylContact C-O 3.47Å; K250-S253 VanDerWaalsContact C-O 3.28Å; K250-S253 VanDerWaalsContact CA-O 3.28Å; K250-S253 WeakPolarHBondContact CA-O 3.29Å; K250-S253 WeakPolarHBondContact CB-O 3.44Å; K250-S253 PolarHBondContact N-O 3.09Å; K250-S253 CarbonylContact O-C 3.28Å; K250-S253 PolarHBondContact O-N 3.22Å; K250-E255 WeakPolarHBondContact CE-OE2 3.22Å; K250-E255 HydrophobicContact CG-CB 4.34Å; K250-E255 IonicContact NZ-OE2 3.46Å
251P95.3Very high94.2Very high89 Ų8966 Ų6658%0.57836%0.361SS*.THydrogen-bonded Turntrans-56.7113.3175-25.735.9000112.1L197 W218 D231L197-P251 HydrophobicContact CD1-CB 4.2Å; W218-P251 HydrophobicContact CH2-CB 3.91Å; W218-P251 HydrophobicContact CZ2-CB 3.72Å; D231-P251 WeakPolarHBondContact OD1-CA 3.05Å
252G95Very high94.2Very high21 Ų2161.4 Ų61.422%0.21634%0.337CS..THydrogen-bonded Turntrans79.97.1-178.900000115.7D231 K250D231-G252 PolarHBondContact OD1-N 2.83Å; K250-G252 PolarHBondContact O-N 3.32Å
253S96.1Very high94.6Very high56 Ų5654 Ų5439%0.39231%0.311SS..EExtended strand (participates in β ladder)trans-165.4-179.7178.975.40000112.9K250K250-S253 CarbonylContact C-O 3.47Å; K250-S253 VanDerWaalsContact C-O 3.28Å; K250-S253 VanDerWaalsContact CA-O 3.28Å; K250-S253 WeakPolarHBondContact CA-O 3.29Å; K250-S253 WeakPolarHBondContact CB-O 3.44Å; K250-S253 PolarHBondContact N-O 3.09Å; K250-S253 CarbonylContact O-C 3.28Å; K250-S253 PolarHBondContact O-N 3.22Å
254Y96.6Very high94.9Very high102 Ų10255.4 Ų55.440%0.431%0.314SS..EExtended strand (participates in β ladder)trans-129.6157.1166.466.9-77.9000111.3E234 P239 L248E234-Y254 HydrophobicContact CB-CD1 3.58Å; E234-Y254 HydrophobicContact CB-CE1 4.28Å; E234-Y254 HydrophobicContact CB-CG 4.01Å; E234-Y254 HydrophobicContact CG-CD1 3.78Å; E234-Y254 HydrophobicContact CG-CE1 4.42Å; P239-Y254 HydrophobicContact CB-CD2 4.3Å; P239-Y254 HydrophobicContact CB-CE1 4.28Å; P239-Y254 HydrophobicContact CB-CE2 3.61Å; P239-Y254 HydrophobicContact CG-CD1 4.32Å; P239-Y254 HydrophobicContact CG-CD2 3.55Å; P239-Y254 HydrophobicContact CG-CE1 4.2Å; P239-Y254 HydrophobicContact CG-CE2 3.38Å; P239-Y254 HydrophobicContact CG-CG 4.03Å; L248-Y254 CarbonylContact O-C 3.55Å; L248-Y254 VanDerWaalsContact O-CA 3.31Å; L248-Y254 WeakPolarHBondContact O-CA 3.14Å
255E96.4Very high95Very high91 Ų9156.8 Ų56.843%0.42532%0.315SS..EExtended strand (participates in β ladder)trans-120.8124.1177.4-172.1-177.9175.100109.7L248 K250 V257L248-E255 HydrophobicContact CB-CB 4.32Å; L248-E255 PolarHBondContact N-O 2.89Å; L248-E255 PolarHBondContact O-N 3.44Å; K250-E255 WeakPolarHBondContact CE-OE2 3.22Å; K250-E255 HydrophobicContact CG-CB 4.34Å; K250-E255 IonicContact NZ-OE2 3.46Å; E255-V257 HydrophobicContact CG-CG2 3.84Å; E255-V257 PolarHBondContact O-N 3.38Å
256C96.3Very high94.9Very high51 Ų5154.1 Ų54.135%0.34530%0.304SS..EExtended strand (participates in β ladder)trans-88.1106.5171.6-61.70000109.3C240 H245 F246C240-C256 VanDerWaalsContact CA-SG 3.54Å; C240-C256 HydrophobicContact CB-CB 3.88Å; C240-C256 WeakPolarHBondContact CB-SG 3.43Å; C240-C256 WeakPolarHBondContact SG-CA 3.09Å; C240-C256 WeakPolarHBondContact SG-CB 3.48Å; C240-C256 CovalentContact SG-SG 2.04Å; C240-C256 PolarHBondContact SG-SG 3.05Å; H245-C256 HydrophobicContact CB-CB 4.14Å; F246-C256 WeakPolarHBondContact O-CA 3.31Å
257V95.3Very high94.8Very high26 Ų2657.5 Ų57.516%0.15833%0.329CS..EExtended strand (participates in β ladder)trans-99.1133.9-178.8179.30000109.3H245 F246 L248 E255H245-V257 CarbonylContact C-O 3.38Å; H245-V257 VanDerWaalsContact CA-O 3.22Å; H245-V257 WeakPolarHBondContact CA-O 3.15Å; H245-V257 WeakPolarHBondContact CB-O 3.18Å; F246-V257 HydrophobicContact CD1-CB 4.01Å; F246-V257 HydrophobicContact CD1-CG1 4.34Å; F246-V257 WeakPolarHBondContact CD1-O 3.38Å; F246-V257 HydrophobicContact CE1-CB 3.35Å; F246-V257 HydrophobicContact CE1-CG1 3.35Å; F246-V257 HydrophobicContact CE2-CB 4.32Å; F246-V257 HydrophobicContact CZ-CB 3.52Å; F246-V257 HydrophobicContact CZ-CG1 3.63Å; F246-V257 HydrophobicContact CZ-CG2 4.24Å; F246-V257 PolarHBondContact N-O 2.91Å; F246-V257 PolarHBondContact O-N 2.9Å; L248-V257 HydrophobicContact CD1-CB 4.39Å; L248-V257 HydrophobicContact CD1-CG2 3.53Å; L248-V257 HydrophobicContact CG-CG2 4.15Å; E255-V257 HydrophobicContact CG-CG2 3.84Å; E255-V257 PolarHBondContact O-N 3.38Å
258P95Very high94.6Very high80 Ų8056.2 Ų56.252%0.51932%0.321SS..EExtended strand (participates in β ladder)trans-63.3144.6179.326.2-35000111.3
259C94.7Very high94.3Very high23 Ų2356.6 Ų56.616%0.15533%0.327CS..PPolyproline II helixtrans-66.1155.4171.3-65.40000111.5T244 C263 C266T244-C259 PolarHBondContact O-N 3.18Å; C259-C263 HydrophobicContact CB-CB 4.13Å; C259-C266 WeakPolarHBondContact CA-SG 3.03Å; C259-C266 HydrophobicContact CB-CB 3.75Å; C259-C266 WeakPolarHBondContact CB-SG 3.35Å; C259-C266 WeakPolarHBondContact SG-CB 3.28Å; C259-C266 PolarHBondContact SG-N 3.4Å; C259-C266 VanDerWaalsContact SG-N 3.42Å; C259-C266 CovalentContact SG-SG 2.03Å; C259-C266 PolarHBondContact SG-SG 2.87Å
260H94.5Very high94.2Very high77 Ų7756.3 Ų56.336%0.35633%0.328SS..PPolyproline II helixtrans-56.7144.1167.1-169.9-91.9000110.2A262 C263H260-A262 VanDerWaalsContact ND1-CB 3.26Å; H260-A262 WeakPolarHBondContact ND1-CB 3.27Å; H260-A262 PolarHBondContact ND1-N 3.48Å; H260-A262 VanDerWaalsContact ND1-N 3.18Å; H260-A262 PolarHBondContact O-N 3.4Å; H260-C263 WeakPolarHBondContact O-CB 3.48Å; H260-C263 PolarHBondContact O-N 2.97Å
261S93.8Very high94Very high87 Ų8753.8 Ų53.861%0.60832%0.319SS*.THydrogen-bonded Turntrans-59.6-24.4-176.363.30000113.8C263 A278 Y281S261-C263 VanDerWaalsContact C-N 3.26Å; S261-C263 PolarHBondContact O-N 2.88Å; S261-A278 WeakPolarHBondContact O-CB 3.49Å; S261-Y281 PolarHBondContact OG-OH 3.17Å
262A94.4Very high93.9Very high1 Ų152.3 Ų52.31%0.00831%0.307CS..THydrogen-bonded Turntrans-75-8.9175.100000114.3H260 A271 C277 A278 Y281 C289H260-A262 VanDerWaalsContact ND1-CB 3.26Å; H260-A262 WeakPolarHBondContact ND1-CB 3.27Å; H260-A262 PolarHBondContact ND1-N 3.48Å; H260-A262 VanDerWaalsContact ND1-N 3.18Å; H260-A262 PolarHBondContact O-N 3.4Å; A262-A271 HydrophobicContact CB-CB 4.46Å; A262-C277 CarbonylContact O-C 3.55Å; A262-C277 WeakPolarHBondContact O-CA 3.4Å; A262-A278 PolarHBondContact O-N 3.29Å; A262-Y281 HydrophobicContact CB-CD1 3.4Å; A262-Y281 HydrophobicContact CB-CD2 4.13Å; A262-Y281 HydrophobicContact CB-CE1 3.46Å; A262-Y281 VanDerWaalsContact CB-CE1 3.46Å; A262-Y281 HydrophobicContact CB-CE2 4.17Å; A262-Y281 HydrophobicContact CB-CG 3.74Å; A262-C289 HydrophobicContact CB-CB 3.88Å
263C94.9Very high93.7Very high14 Ų1453.2 Ų53.210%0.09531%0.306CS..EExtended strand (participates in β ladder)trans-100.8135.8-176.2-55.70000112.1C259 H260 S261 C266 C274C259-C263 HydrophobicContact CB-CB 4.13Å; H260-C263 WeakPolarHBondContact O-CB 3.48Å; H260-C263 PolarHBondContact O-N 2.97Å; S261-C263 VanDerWaalsContact C-N 3.26Å; S261-C263 PolarHBondContact O-N 2.88Å; C263-C266 HydrophobicContact CB-CB 4.12Å; C263-C274 WeakPolarHBondContact CA-SG 3.23Å; C263-C274 HydrophobicContact CB-CB 3.67Å; C263-C274 WeakPolarHBondContact CB-SG 3.44Å; C263-C274 WeakPolarHBondContact SG-CA 3.24Å; C263-C274 WeakPolarHBondContact SG-CB 3.41Å; C263-C274 CovalentContact SG-SG 2.02Å; C263-C274 PolarHBondContact SG-SG 3.14Å
264N92.9Very high93.6Very high81 Ų8151 Ų5143%0.43329%0.291SS..EExtended strand (participates in β ladder)trans-102.697.4157.4177.825.4000107.1S276N264-S276 WeakPolarHBondContact CB-OG 3.44Å; N264-S276 PolarHBondContact N-O 3Å; N264-S276 PolarHBondContact ND2-OG 2.91Å; N264-S276 PolarHBondContact O-N 3.28Å; N264-S276 PolarHBondContact O-OG 3Å
265K92.8Very high93.4Very high92 Ų9251.3 Ų51.340%0.430%0.296SS..EExtended strand (participates in β ladder)trans68.3144.3-163.2-48.6173.1179.1176.60113.9R242 E275R242-K265 WeakPolarHBondContact O-CG 3.46Å; K265-E275 HydrophobicContact CB-CB 4.15Å; K265-E275 HydrophobicContact CB-CG 4.39Å; K265-E275 PolarHBondContact O-N 2.71Å
266C93.8Very high93.3Very high9 Ų949 Ų496%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-148.4157.3-178.7680000111.5C259 C263 G268 D273C259-C266 WeakPolarHBondContact CA-SG 3.03Å; C259-C266 HydrophobicContact CB-CB 3.75Å; C259-C266 WeakPolarHBondContact CB-SG 3.35Å; C259-C266 WeakPolarHBondContact SG-CB 3.28Å; C259-C266 PolarHBondContact SG-N 3.4Å; C259-C266 VanDerWaalsContact SG-N 3.42Å; C259-C266 CovalentContact SG-SG 2.03Å; C259-C266 PolarHBondContact SG-SG 2.87Å; C263-C266 HydrophobicContact CB-CB 4.12Å; C266-G268 WeakPolarHBondContact CB-O 3.05Å; C266-G268 PolarHBondContact SG-O 2.99Å; C266-D273 CarbonylContact C-O 3.55Å; C266-D273 VanDerWaalsContact CA-O 3.28Å; C266-D273 WeakPolarHBondContact CA-O 3.38Å
267S91.8Very high93.2Very high84 Ų8448 Ų4859%0.58728%0.283SS*.SBendtrans-103.52.1172.160.90000112.8D273S267-D273 PolarHBondContact N-O 3.49Å; S267-D273 PolarHBondContact OG-O 3.37Å; S267-D273 VanDerWaalsContact OG-O 3.13Å
268G91.4Very high93.2Very high5 Ų547.7 Ų47.75%0.05228%0.284CS..SBendtrans-173.8178.1-173.200000112.2F246 C266 T270 D273F246-G268 VanDerWaalsContact CE1-C 3.46Å; C266-G268 WeakPolarHBondContact CB-O 3.05Å; C266-G268 PolarHBondContact SG-O 2.99Å; G268-T270 PolarHBondContact O-N 2.87Å; G268-D273 VanDerWaalsContact CA-CB 3.45Å
269P89Confident93.1Very high73 Ų7349.5 Ų49.547%0.47430%0.298SS..SBendtrans-81.7-12-168.330.1-32.4000114.4F246F246-P269 VanDerWaalsContact CE1-CA 3.47Å; F246-P269 HydrophobicContact CE1-CB 3.71Å; F246-P269 HydrophobicContact CE1-CG 4.41Å; F246-P269 HydrophobicContact CZ-CB 3.68Å; F246-P269 VanDerWaalsContact CZ-CD 3.45Å; F246-P269 HydrophobicContact CZ-CG 3.93Å
270T91.7Very high93.1Very high52 Ų5249.1 Ų49.132%0.31930%0.298SS..SBendtrans-103.1164-170.575.80000112.6G268 N272 D273G268-T270 PolarHBondContact O-N 2.87Å; T270-N272 PolarHBondContact O-N 2.91Å; T270-N272 VanDerWaalsContact O-N 3.11Å; T270-N272 PolarHBondContact OG1-N 3.13Å; T270-D273 WeakPolarHBondContact CB-OD2 3.33Å; T270-D273 PolarHBondContact N-OD2 2.73Å; T270-D273 PolarHBondContact O-N 3.09Å; T270-D273 VanDerWaalsContact OG1-CG 3.31Å; T270-D273 PolarHBondContact OG1-OD2 2.82Å
271A91.8Very high93.1Very high15 Ų1546.9 Ų46.912%0.12429%0.287CS..THydrogen-bonded Turntrans-63.6-11.3174.500000114.2A262 C274 V288 C289A262-A271 HydrophobicContact CB-CB 4.46Å; A271-C274 PolarHBondContact O-SG 3.37Å; A271-V288 HydrophobicContact CB-CG1 4.01Å; A271-C289 PolarHBondContact O-N 2.98Å
272N92.6Very high93.1Very high58 Ų5847.6 Ų47.631%0.3128%0.281SS..THydrogen-bonded Turntrans-86.5-19.8174.6-60.514.9000111.9T270 C274 V288T270-N272 PolarHBondContact O-N 2.91Å; T270-N272 VanDerWaalsContact O-N 3.11Å; T270-N272 PolarHBondContact OG1-N 3.13Å; N272-C274 VanDerWaalsContact C-N 3.26Å; N272-V288 HydrophobicContact CB-CG2 4.39Å; N272-V288 VanDerWaalsContact CG-CG2 3.49Å; N272-V288 WeakPolarHBondContact OD1-CG1 3.29Å; N272-V288 WeakPolarHBondContact OD1-CG2 3.49Å
273D92.5Very high93.1Very high40 Ų4054.2 Ų54.221%0.21431%0.305CS..SBendtrans-91.77-176.2-52.2-56.7000111.5C266 S267 G268 T270 E275C266-D273 CarbonylContact C-O 3.55Å; C266-D273 VanDerWaalsContact CA-O 3.28Å; C266-D273 WeakPolarHBondContact CA-O 3.38Å; S267-D273 PolarHBondContact N-O 3.49Å; S267-D273 PolarHBondContact OG-O 3.37Å; S267-D273 VanDerWaalsContact OG-O 3.13Å; G268-D273 VanDerWaalsContact CA-CB 3.45Å; T270-D273 WeakPolarHBondContact CB-OD2 3.33Å; T270-D273 PolarHBondContact N-OD2 2.73Å; T270-D273 PolarHBondContact O-N 3.09Å; T270-D273 VanDerWaalsContact OG1-CG 3.31Å; T270-D273 PolarHBondContact OG1-OD2 2.82Å; D273-E275 PolarHBondContact O-N 2.03Å
274C93.8Very high92.7Very high9 Ų954.6 Ų54.66%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-67.2127.9179.6-56.40000110.8C263 A271 N272 C289C263-C274 WeakPolarHBondContact CA-SG 3.23Å; C263-C274 HydrophobicContact CB-CB 3.67Å; C263-C274 WeakPolarHBondContact CB-SG 3.44Å; C263-C274 WeakPolarHBondContact SG-CA 3.24Å; C263-C274 WeakPolarHBondContact SG-CB 3.41Å; C263-C274 CovalentContact SG-SG 2.02Å; C263-C274 PolarHBondContact SG-SG 3.14Å; A271-C274 PolarHBondContact O-SG 3.37Å; N272-C274 VanDerWaalsContact C-N 3.26Å; C274-C289 HydrophobicContact CB-CB 4.47Å; C274-C289 WeakPolarHBondContact CB-SG 3.39Å
275E92.9Very high92.2Very high109 Ų10957.2 Ų57.251%0.50933%0.325SS..EExtended strand (participates in β ladder)trans-72-37.9168.7-65.2-176.2-176.400110.4K265 D273 R283K265-E275 HydrophobicContact CB-CB 4.15Å; K265-E275 HydrophobicContact CB-CG 4.39Å; K265-E275 PolarHBondContact O-N 2.71Å; D273-E275 PolarHBondContact O-N 2.03Å; E275-R283 PolarHBondContact O-NH2 2.88Å
276S93.2Very high91.7Very high43 Ų4355.2 Ų55.230%0.30133%0.331SS..EExtended strand (participates in β ladder)trans-143.8156.9170.969.30000110.8N264N264-S276 WeakPolarHBondContact CB-OG 3.44Å; N264-S276 PolarHBondContact N-O 3Å; N264-S276 PolarHBondContact ND2-OG 2.91Å; N264-S276 PolarHBondContact O-N 3.28Å; N264-S276 PolarHBondContact O-OG 3Å
277C95.1Very high91.3Very high29 Ų2958.9 Ų58.920%0.19635%0.35CS..EExtended strand (participates in β ladder)trans-81.8143178.9-56.10000111A262 C289A262-C277 CarbonylContact O-C 3.55Å; A262-C277 WeakPolarHBondContact O-CA 3.4Å; C277-C289 WeakPolarHBondContact CA-SG 3.03Å; C277-C289 HydrophobicContact CB-CB 3.85Å; C277-C289 WeakPolarHBondContact CB-SG 3.34Å; C277-C289 VanDerWaalsContact SG-CA 3.53Å; C277-C289 WeakPolarHBondContact SG-CB 2.97Å; C277-C289 CovalentContact SG-SG 2.04Å; C277-C289 PolarHBondContact SG-SG 3.34Å
278A94.1Very high91.4Very high21 Ų2155.8 Ų55.817%0.17433%0.328CS..PPolyproline II helixtrans-66.2163.4169.200000110.5S261 A262 Y281S261-A278 WeakPolarHBondContact O-CB 3.49Å; A262-A278 PolarHBondContact O-N 3.29Å; A278-Y281 HydrophobicContact CB-CD2 3.93Å; A278-Y281 HydrophobicContact CB-CE2 4.36Å; A278-Y281 WeakPolarHBondContact O-CB 3.44Å; A278-Y281 PolarHBondContact O-N 2.77Å; A278-Y281 VanDerWaalsContact O-N 3.08Å
279S93.7Very high91.5Very high118 Ų11855.9 Ų55.983%0.82533%0.327SS*.THydrogen-bonded Turntrans-58.6140.2173.5-56.20000110.9Y281S279-Y281 VanDerWaalsContact C-N 3.29Å; S279-Y281 WeakPolarHBondContact O-CD2 3.34Å
280G93.4Very high91.8Very high15 Ų1556.4 Ų56.416%0.15532%0.323CS..THydrogen-bonded Turntrans84.8-2.3-171.700000114.1I292G280-I292 PolarHBondContact O-N 3.37Å
281Y95.6Very high91.9Very high29 Ų2956 Ų5611%0.11432%0.319CS..EExtended strand (participates in β ladder)trans-123.6148.8178.3-58.8-93.3000111.7S261 A262 A278 S279 E290 V313S261-Y281 PolarHBondContact OG-OH 3.17Å; A262-Y281 HydrophobicContact CB-CD1 3.4Å; A262-Y281 HydrophobicContact CB-CD2 4.13Å; A262-Y281 HydrophobicContact CB-CE1 3.46Å; A262-Y281 VanDerWaalsContact CB-CE1 3.46Å; A262-Y281 HydrophobicContact CB-CE2 4.17Å; A262-Y281 HydrophobicContact CB-CG 3.74Å; A278-Y281 HydrophobicContact CB-CD2 3.93Å; A278-Y281 HydrophobicContact CB-CE2 4.36Å; A278-Y281 WeakPolarHBondContact O-CB 3.44Å; A278-Y281 PolarHBondContact O-N 2.77Å; A278-Y281 VanDerWaalsContact O-N 3.08Å; S279-Y281 VanDerWaalsContact C-N 3.29Å; S279-Y281 WeakPolarHBondContact O-CD2 3.34Å; Y281-E290 CarbonylContact C-O 3.59Å; Y281-E290 WeakPolarHBondContact CA-O 3.14Å; Y281-E290 WeakPolarHBondContact CB-O 3.06Å; Y281-V313 HydrophobicContact CE1-CG1 4.08Å; Y281-V313 WeakPolarHBondContact OH-CG1 3.42Å
282Q93.4Very high92Very high103 Ų10357.2 Ų57.248%0.48132%0.323SS..EExtended strand (participates in β ladder)trans-130.6155.9176.164.6-177.14.700111G284 E290 I292Q282-G284 PolarHBondContact O-N 2.91Å; Q282-G284 VanDerWaalsContact O-N 3.14Å; Q282-E290 PolarHBondContact N-O 3.09Å; Q282-E290 PolarHBondContact O-N 3.33Å; Q282-I292 HydrophobicContact CB-CD1 3.98Å; Q282-I292 HydrophobicContact CB-CG1 3.67Å; Q282-I292 HydrophobicContact CG-CD1 4.48Å; Q282-I292 HydrophobicContact CG-CG1 3.63Å
283R93.8Very high92Very high140 Ų14057 Ų5753%0.52832%0.322SS..EExtended strand (participates in β ladder)trans-69.8111.4173.1-73.6-172.7176.4-161.28.2109.5E275 D287 V288E275-R283 PolarHBondContact O-NH2 2.88Å; R283-D287 VanDerWaalsContact CD-OD1 3.27Å; R283-D287 WeakPolarHBondContact CD-OD1 3.29Å; R283-D287 IonicContact CZ-OD1 3.65Å; R283-D287 VanDerWaalsContact CZ-OD1 3.29Å; R283-D287 IonicContact NE-OD1 2.73Å; R283-D287 PolarHBondContact NE-OD1 2.91Å; R283-D287 IonicContact NH1-OD1 3.84Å; R283-D287 PolarHBondContact NH1-OD1 2.81Å; R283-D287 IonicContact NH1-OD2 3.71Å; R283-V288 WeakPolarHBondContact CA-O 2.95Å
284G86.7Confident92.1Very high21 Ų2156.2 Ų56.222%0.21632%0.317CS..  trans-85.3-162.2175.100000113Q282 G286 V288Q282-G284 PolarHBondContact O-N 2.91Å; Q282-G284 VanDerWaalsContact O-N 3.14Å; G284-G286 PolarHBondContact O-N 2.86Å; G284-V288 PolarHBondContact N-O 3.39Å
285N83.1Confident91.9Very high136 Ų13657 Ų5773%0.72732%0.322SS*.THydrogen-bonded Turntrans-72.9117.7-179.1-79.1-26.2000110.5
286G83.3Confident91.8Very high51 Ų5158.1 Ų58.153%0.52633%0.332SS..THydrogen-bonded Turntrans97.419.7179.600000114.9G284 V288G284-G286 PolarHBondContact O-N 2.86Å; G286-V288 VanDerWaalsContact C-N 3.3Å; G286-V288 PolarHBondContact O-N 3.45Å
287D85.5Confident91.5Very high85 Ų8559.8 Ų59.846%0.45535%0.349SS..SBendtrans67.727.1176.3-148.430.8000113.9R283R283-D287 VanDerWaalsContact CD-OD1 3.27Å; R283-D287 WeakPolarHBondContact CD-OD1 3.29Å; R283-D287 IonicContact CZ-OD1 3.65Å; R283-D287 VanDerWaalsContact CZ-OD1 3.29Å; R283-D287 IonicContact NE-OD1 2.73Å; R283-D287 PolarHBondContact NE-OD1 2.91Å; R283-D287 IonicContact NH1-OD1 3.84Å; R283-D287 PolarHBondContact NH1-OD1 2.81Å; R283-D287 IonicContact NH1-OD2 3.71Å
288V92.7Very high91.1Very high20 Ų2062.1 Ų62.112%0.12136%0.359CS..  trans-95136.8177-174.70000109.8A271 N272 R283 G284 G286 E290A271-V288 HydrophobicContact CB-CG1 4.01Å; N272-V288 HydrophobicContact CB-CG2 4.39Å; N272-V288 VanDerWaalsContact CG-CG2 3.49Å; N272-V288 WeakPolarHBondContact OD1-CG1 3.29Å; N272-V288 WeakPolarHBondContact OD1-CG2 3.49Å; R283-V288 WeakPolarHBondContact CA-O 2.95Å; G284-V288 PolarHBondContact N-O 3.39Å; G286-V288 VanDerWaalsContact C-N 3.3Å; G286-V288 PolarHBondContact O-N 3.45Å; V288-E290 HydrophobicContact CG1-CG 4.38Å; V288-E290 PolarHBondContact O-N 3.35Å
289C94.8Very high90.5Very high7 Ų766.3 Ų66.35%0.04739%0.387CS..EExtended strand (participates in β ladder)trans-76.1107.7169.9-68.40000110.3A262 A271 C274 C277A262-C289 HydrophobicContact CB-CB 3.88Å; A271-C289 PolarHBondContact O-N 2.98Å; C274-C289 HydrophobicContact CB-CB 4.47Å; C274-C289 WeakPolarHBondContact CB-SG 3.39Å; C277-C289 WeakPolarHBondContact CA-SG 3.03Å; C277-C289 HydrophobicContact CB-CB 3.85Å; C277-C289 WeakPolarHBondContact CB-SG 3.34Å; C277-C289 VanDerWaalsContact SG-CA 3.53Å; C277-C289 WeakPolarHBondContact SG-CB 2.97Å; C277-C289 CovalentContact SG-SG 2.04Å; C277-C289 PolarHBondContact SG-SG 3.34Å
290E93.6Very high90Very high83 Ų8365.7 Ų65.739%0.38838%0.375SS..EExtended strand (participates in β ladder)trans-105.5153178.6-66.6177.4-15600110.3Y281 Q282 V288 I292Y281-E290 CarbonylContact C-O 3.59Å; Y281-E290 WeakPolarHBondContact CA-O 3.14Å; Y281-E290 WeakPolarHBondContact CB-O 3.06Å; Q282-E290 PolarHBondContact N-O 3.09Å; Q282-E290 PolarHBondContact O-N 3.33Å; V288-E290 HydrophobicContact CG1-CG 4.38Å; V288-E290 PolarHBondContact O-N 3.35Å; E290-I292 PolarHBondContact O-N 2.82Å
291D94.6Very high89.6Confident43 Ų4367 Ų6723%0.2338%0.377CS..EExtended strand (participates in β ladder)trans-60.8132.4176.5-174.759.2000111.4N293 N311 V313 G314D291-N293 PolarHBondContact O-N 2.97Å; D291-N311 PolarHBondContact OD2-ND2 2.8Å; D291-V313 WeakPolarHBondContact OD1-CA 3.19Å; D291-G314 PolarHBondContact OD1-N 3.11Å
292I93.9Very high89.2Confident41 Ų4166.5 Ų66.521%0.2138%0.378CS..  trans-79.5120.9170.7-61.4170.6000106.7G280 Q282 E290 E294 A297 N311G280-I292 PolarHBondContact O-N 3.37Å; Q282-I292 HydrophobicContact CB-CD1 3.98Å; Q282-I292 HydrophobicContact CB-CG1 3.67Å; Q282-I292 HydrophobicContact CG-CD1 4.48Å; Q282-I292 HydrophobicContact CG-CG1 3.63Å; E290-I292 PolarHBondContact O-N 2.82Å; I292-E294 VanDerWaalsContact C-N 3.35Å; I292-E294 HydrophobicContact CB-CG 4.46Å; I292-E294 HydrophobicContact CG2-CG 4.02Å; I292-E294 PolarHBondContact O-N 3.09Å; I292-A297 HydrophobicContact CG2-CB 4.4Å; I292-N311 PolarHBondContact O-OD1 2.71Å
293N93.2Very high88.4Confident54 Ų5468.9 Ų68.929%0.28939%0.394SS..  trans-77.489.8168.4-172.8-31.4000109.6D291 C295 N296 A297 N311D291-N293 PolarHBondContact O-N 2.97Å; N293-C295 PolarHBondContact O-N 2.98Å; N293-C295 WeakPolarHBondContact OD1-CB 3.37Å; N293-C295 PolarHBondContact OD1-N 2.82Å; N293-N296 HydrophobicContact CB-CB 4.26Å; N293-N296 PolarHBondContact ND2-ND2 2.91Å; N293-N296 PolarHBondContact O-N 3.48Å; N293-N296 PolarHBondContact OD1-N 3.4Å; N293-A297 PolarHBondContact O-N 2.96Å; N293-N311 WeakPolarHBondContact CA-OD1 3.22Å
294E93.1Very high87.2Confident23 Ų2363.8 Ų63.811%0.10738%0.38CS..Hα-helixtrans-65.5-28.5-174-57.991.1166.200112.3I292 N296 A297 D298 I301 N311 F316I292-E294 VanDerWaalsContact C-N 3.35Å; I292-E294 HydrophobicContact CB-CG 4.46Å; I292-E294 HydrophobicContact CG2-CG 4.02Å; I292-E294 PolarHBondContact O-N 3.09Å; E294-N296 PolarHBondContact O-N 3.14Å; E294-A297 PolarHBondContact O-N 2.64Å; E294-D298 PolarHBondContact O-N 2.84Å; E294-I301 HydrophobicContact CB-CD1 3.55Å; E294-I301 HydrophobicContact CG-CD1 4.37Å; E294-N311 PolarHBondContact OE2-OD1 2.95Å; E294-F316 HydrophobicContact CB-CB 4.14Å; E294-F316 HydrophobicContact CB-CD1 3.75Å; E294-F316 HydrophobicContact CB-CG 4.07Å; E294-F316 HydrophobicContact CG-CD1 3.87Å
295C90.8Very high86.7Confident25 Ų2571.6 Ų71.617%0.16941%0.411CS..Hα-helixtrans-63.1-27.3174.5-56.60000113.5N293 C309 T310 N311N293-C295 PolarHBondContact O-N 2.98Å; N293-C295 WeakPolarHBondContact OD1-CB 3.37Å; N293-C295 PolarHBondContact OD1-N 2.82Å; C295-C309 WeakPolarHBondContact CA-SG 3.49Å; C295-C309 HydrophobicContact CB-CB 3.62Å; C295-C309 WeakPolarHBondContact CB-SG 3.15Å; C295-C309 WeakPolarHBondContact SG-CB 3.07Å; C295-C309 CovalentContact SG-SG 2.03Å; C295-C309 PolarHBondContact SG-SG 3.46Å; C295-T310 PolarHBondContact SG-N 3.4Å; C295-N311 PolarHBondContact SG-N 3.37Å; C295-N311 VanDerWaalsContact SG-N 3.39Å
296N90.3Very high86.5Confident133 Ų13365.2 Ų65.271%0.71138%0.378SS*.Hα-helixtrans-92.5-28.7174.9-71.8-9.4000112.2N293 E294N293-N296 HydrophobicContact CB-CB 4.26Å; N293-N296 PolarHBondContact ND2-ND2 2.91Å; N293-N296 PolarHBondContact O-N 3.48Å; N293-N296 PolarHBondContact OD1-N 3.4Å; E294-N296 PolarHBondContact O-N 3.14Å
297A87.6Confident86.7Confident79 Ų7964.1 Ų64.165%0.65336%0.359SS*.Hα-helixtrans-73.8-37.5-178.400000112.4I292 N293 E294I292-A297 HydrophobicContact CG2-CB 4.4Å; N293-A297 PolarHBondContact O-N 2.96Å; E294-A297 PolarHBondContact O-N 2.64Å
298D86.4Confident86.9Confident78 Ų7864.7 Ų64.742%0.41736%0.361SS..  trans-135.1109.9175.1-179.35.2000110.8E294 N300 I301E294-D298 PolarHBondContact O-N 2.84Å; D298-N300 PolarHBondContact O-N 3.37Å; D298-N300 VanDerWaalsContact O-N 3.16Å; D298-N300 PolarHBondContact OD1-N 2.79Å; D298-I301 HydrophobicContact CB-CB 4.13Å; D298-I301 WeakPolarHBondContact O-CB 3.33Å; D298-I301 WeakPolarHBondContact O-CG2 3.49Å; D298-I301 PolarHBondContact O-N 2.92Å
299S80.4Confident86.9Confident108 Ų10865.3 Ų65.376%0.75537%0.366SS*.THydrogen-bonded Turntrans-64.2-19.6179.561.90000113.5
300N83.9Confident86.8Confident106 Ų10667.4 Ų67.457%0.56738%0.379SS*.THydrogen-bonded Turntrans-104.18.9-176.8-65.1-20.7000112.7D298 C302 N303D298-N300 PolarHBondContact O-N 3.37Å; D298-N300 VanDerWaalsContact O-N 3.16Å; D298-N300 PolarHBondContact OD1-N 2.79Å; N300-C302 CarbonylContact O-C 3.59Å; N300-C302 PolarHBondContact O-N 3.5Å; N300-C302 VanDerWaalsContact O-N 3.15Å; N300-N303 PolarHBondContact O-N 3.33Å; N300-N303 PolarHBondContact O-OD1 2.8Å; N300-N303 VanDerWaalsContact O-OD1 3.1Å
301I85.6Confident86.8Confident41 Ų4166.1 Ų66.121%0.2138%0.375CS..SBendtrans-59-32.3-175.9-158.9168.8000113.2E294 D298 F316E294-I301 HydrophobicContact CB-CD1 3.55Å; E294-I301 HydrophobicContact CG-CD1 4.37Å; D298-I301 HydrophobicContact CB-CB 4.13Å; D298-I301 WeakPolarHBondContact O-CB 3.33Å; D298-I301 WeakPolarHBondContact O-CG2 3.49Å; D298-I301 PolarHBondContact O-N 2.92Å; I301-F316 HydrophobicContact CB-CE2 4.47Å; I301-F316 HydrophobicContact CD1-CD1 3.71Å; I301-F316 HydrophobicContact CD1-CD2 4.02Å; I301-F316 HydrophobicContact CD1-CE1 3.38Å; I301-F316 HydrophobicContact CD1-CE2 3.7Å; I301-F316 HydrophobicContact CD1-CG 4.04Å; I301-F316 HydrophobicContact CD1-CZ 3.37Å; I301-F316 HydrophobicContact CG1-CD2 4.25Å; I301-F316 HydrophobicContact CG1-CE1 4.07Å; I301-F316 HydrophobicContact CG1-CE2 3.6Å; I301-F316 HydrophobicContact CG1-CZ 3.51Å; I301-F316 HydrophobicContact CG2-CD2 4.2Å; I301-F316 HydrophobicContact CG2-CE2 4.22Å
302C86.9Confident86.7Confident19 Ų1966.9 Ų66.913%0.12838%0.381CS..SBendtrans-93.693.1166.9-54.70000108.5N300 S304 E307 C309 C318N300-C302 CarbonylContact O-C 3.59Å; N300-C302 PolarHBondContact O-N 3.5Å; N300-C302 VanDerWaalsContact O-N 3.15Å; C302-S304 PolarHBondContact O-N 3.34Å; C302-E307 HydrophobicContact CB-CB 3.78Å; C302-C309 WeakPolarHBondContact SG-CB 3.33Å; C302-C318 VanDerWaalsContact CA-SG 3.52Å; C302-C318 HydrophobicContact CB-CB 3.78Å; C302-C318 WeakPolarHBondContact CB-SG 3.46Å; C302-C318 WeakPolarHBondContact SG-CB 3.34Å; C302-C318 CovalentContact SG-SG 2.03Å; C302-C318 PolarHBondContact SG-SG 3.31Å
303N75.7Confident86.7Confident153 Ų15370.4 Ų70.482%0.81840%0.404SS*.  trans-65.525.4-169.8-83.6-44.2000116.4N300N300-N303 PolarHBondContact O-N 3.33Å; N300-N303 PolarHBondContact O-OD1 2.8Å; N300-N303 VanDerWaalsContact O-OD1 3.1Å
304S69.2Low86.6Confident33 Ų3368.9 Ų68.923%0.23140%0.401CS..SBendtrans-138.6138.7178.867.40000115.4C302 G306 E307C302-S304 PolarHBondContact O-N 3.34Å; S304-G306 PolarHBondContact O-N 3.14Å; S304-G306 VanDerWaalsContact O-N 3.11Å; S304-E307 PolarHBondContact O-N 2.79Å; S304-E307 VanDerWaalsContact O-N 3.15Å; S304-E307 WeakPolarHBondContact OG-CG 3.06Å; S304-E307 PolarHBondContact OG-OE1 2.86Å; S304-E307 PolarHBondContact OG-OE2 2.58Å
305E75.6Confident86.6Confident185 Ų18570.6 Ų70.686%0.86442%0.415SS*.THydrogen-bonded Turntrans-58115.7165.2-68.7-162.1163.500108.9
306G80.4Confident86.8Confident3 Ų372.7 Ų72.73%0.03142%0.422CS..THydrogen-bonded Turntrans106.23.4-178.400000115S304 C320 K321S304-G306 PolarHBondContact O-N 3.14Å; S304-G306 VanDerWaalsContact O-N 3.11Å; G306-C320 CarbonylContact O-C 3.6Å; G306-K321 WeakPolarHBondContact O-CB 3.07Å; G306-K321 WeakPolarHBondContact O-CG 3.19Å; G306-K321 PolarHBondContact O-N 2.91Å
307E87.8Confident86.9Confident27 Ų2771.4 Ų71.413%0.12641%0.41CS..EExtended strand (participates in β ladder)trans-92.9147.2166.4-80.6173.6164.700112.4C302 S304 D319 K321 R326 C331C302-E307 HydrophobicContact CB-CB 3.78Å; S304-E307 PolarHBondContact O-N 2.79Å; S304-E307 VanDerWaalsContact O-N 3.15Å; S304-E307 WeakPolarHBondContact OG-CG 3.06Å; S304-E307 PolarHBondContact OG-OE1 2.86Å; S304-E307 PolarHBondContact OG-OE2 2.58Å; E307-D319 CarbonylContact C-O 3.48Å; E307-D319 WeakPolarHBondContact CA-O 3.01Å; E307-K321 WeakPolarHBondContact O-CE 3.5Å; E307-R326 IonicContact OE1-CZ 3.72Å; E307-R326 IonicContact OE1-NH1 3.71Å; E307-R326 PolarHBondContact OE1-NH1 2.82Å; E307-C331 HydrophobicContact CG-CB 4.22Å; E307-C331 WeakPolarHBondContact CG-SG 3.4Å
308L89Confident87.1Confident97 Ų9769.1 Ų69.151%0.50839%0.389SS..EExtended strand (participates in β ladder)trans-113.1120.7171.4176.966000107.5T310 D319 K321L308-T310 HydrophobicContact CD2-CG2 4.43Å; L308-T310 HydrophobicContact CG-CG2 4.42Å; L308-D319 PolarHBondContact N-O 2.03Å; L308-D319 PolarHBondContact O-N 3.32Å; L308-K321 HydrophobicContact CB-CG 4.2Å
309C91.8Very high87.3Confident33 Ų3368.4 Ų68.422%0.22339%0.385CS..EExtended strand (participates in β ladder)trans-79.2130.5170.6-1680000109.8C295 C302C295-C309 WeakPolarHBondContact CA-SG 3.49Å; C295-C309 HydrophobicContact CB-CB 3.62Å; C295-C309 WeakPolarHBondContact CB-SG 3.15Å; C295-C309 WeakPolarHBondContact SG-CB 3.07Å; C295-C309 CovalentContact SG-SG 2.03Å; C295-C309 PolarHBondContact SG-SG 3.46Å; C302-C309 WeakPolarHBondContact SG-CB 3.33Å
310T93.2Very high87.7Confident52 Ų5265 Ų6532%0.31936%0.361SS..EExtended strand (participates in β ladder)trans-121.2121.8170.157.10000109.2C295 L308 K317C295-T310 PolarHBondContact SG-N 3.4Å; L308-T310 HydrophobicContact CD2-CG2 4.43Å; L308-T310 HydrophobicContact CG-CG2 4.42Å; T310-K317 PolarHBondContact N-O 2.77Å; T310-K317 PolarHBondContact O-N 3.23Å; T310-K317 PolarHBondContact OG1-O 2.02Å; T310-K317 VanDerWaalsContact OG1-O 3.14Å
311N93.4Very high87.9Confident56 Ų5664.8 Ų64.830%0.29936%0.355SS..EExtended strand (participates in β ladder)trans-69.3139.4176.9-168.650.4000111D291 I292 N293 E294 C295D291-N311 PolarHBondContact OD2-ND2 2.8Å; I292-N311 PolarHBondContact O-OD1 2.71Å; N293-N311 WeakPolarHBondContact CA-OD1 3.22Å; E294-N311 PolarHBondContact OE2-OD1 2.95Å; C295-N311 PolarHBondContact SG-N 3.37Å; C295-N311 VanDerWaalsContact SG-N 3.39Å
312T93.2Very high87.9Confident59 Ų5969 Ų6936%0.36239%0.387SS..EExtended strand (participates in β ladder)trans-129.1159.2173.2600000109.7G314 S315T312-G314 PolarHBondContact O-N 3.46Å; T312-G314 VanDerWaalsContact O-N 3.13Å; T312-S315 CarbonylContact C-O 3.43Å; T312-S315 WeakPolarHBondContact CA-O 3.16Å; T312-S315 WeakPolarHBondContact CB-O 3.49Å; T312-S315 PolarHBondContact N-O 3.32Å; T312-S315 CarbonylContact O-C 3.52Å; T312-S315 PolarHBondContact O-N 2.86Å; T312-S315 PolarHBondContact OG1-O 3.15Å
313V92.8Very high87.8Confident115 Ų11570.2 Ų70.270%0.69740%0.404SS*.THydrogen-bonded Turntrans-71.1116.4-178.4176.10000109.9Y281 D291Y281-V313 HydrophobicContact CE1-CG1 4.08Å; Y281-V313 WeakPolarHBondContact OH-CG1 3.42Å; D291-V313 WeakPolarHBondContact OD1-CA 3.19Å
314G91Very high88.3Confident22 Ų2266.2 Ų66.223%0.22738%0.378CS..THydrogen-bonded Turntrans82.76.3-177.700000115D291 T312D291-G314 PolarHBondContact OD1-N 3.11Å; T312-G314 PolarHBondContact O-N 3.46Å; T312-G314 VanDerWaalsContact O-N 3.13Å
315S94.3Very high89Confident58 Ų5871.6 Ų71.641%0.40640%0.397SS..EExtended strand (participates in β ladder)trans-168.9174.7-178.4-174.10000111.6T312T312-S315 CarbonylContact C-O 3.43Å; T312-S315 WeakPolarHBondContact CA-O 3.16Å; T312-S315 WeakPolarHBondContact CB-O 3.49Å; T312-S315 PolarHBondContact N-O 3.32Å; T312-S315 CarbonylContact O-C 3.52Å; T312-S315 PolarHBondContact O-N 2.86Å; T312-S315 PolarHBondContact OG1-O 3.15Å
316F93.4Very high89.5Confident70 Ų7070.9 Ų70.931%0.30739%0.386SS..EExtended strand (participates in β ladder)trans-121.3165.5167.264-75.6000111.6E294 I301E294-F316 HydrophobicContact CB-CB 4.14Å; E294-F316 HydrophobicContact CB-CD1 3.75Å; E294-F316 HydrophobicContact CB-CG 4.07Å; E294-F316 HydrophobicContact CG-CD1 3.87Å; I301-F316 HydrophobicContact CB-CE2 4.47Å; I301-F316 HydrophobicContact CD1-CD1 3.71Å; I301-F316 HydrophobicContact CD1-CD2 4.02Å; I301-F316 HydrophobicContact CD1-CE1 3.38Å; I301-F316 HydrophobicContact CD1-CE2 3.7Å; I301-F316 HydrophobicContact CD1-CG 4.04Å; I301-F316 HydrophobicContact CD1-CZ 3.37Å; I301-F316 HydrophobicContact CG1-CD2 4.25Å; I301-F316 HydrophobicContact CG1-CE1 4.07Å; I301-F316 HydrophobicContact CG1-CE2 3.6Å; I301-F316 HydrophobicContact CG1-CZ 3.51Å; I301-F316 HydrophobicContact CG2-CD2 4.2Å; I301-F316 HydrophobicContact CG2-CE2 4.22Å
317K93.3Very high89.5Confident106 Ų10673.8 Ų73.846%0.46140%0.404SS..EExtended strand (participates in β ladder)trans-130.7135.8172.6-174.3-174.9-177.1-139.20110.4T310 D319T310-K317 PolarHBondContact N-O 2.77Å; T310-K317 PolarHBondContact O-N 3.23Å; T310-K317 PolarHBondContact OG1-O 2.02Å; T310-K317 VanDerWaalsContact OG1-O 3.14Å; K317-D319 WeakPolarHBondContact CE-OD1 3.44Å; K317-D319 WeakPolarHBondContact CE-OD2 3.13Å; K317-D319 IonicContact NZ-OD1 3.29Å; K317-D319 PolarHBondContact NZ-OD1 3.43Å; K317-D319 IonicContact NZ-OD2 3.75Å; K317-D319 PolarHBondContact NZ-OD2 2.78Å
318C92.1Very high89.2Confident30 Ų3078.7 Ų78.720%0.20344%0.441CS..EExtended strand (participates in β ladder)trans-105.8115.5173.7-60.10000110C302C302-C318 VanDerWaalsContact CA-SG 3.52Å; C302-C318 HydrophobicContact CB-CB 3.78Å; C302-C318 WeakPolarHBondContact CB-SG 3.46Å; C302-C318 WeakPolarHBondContact SG-CB 3.34Å; C302-C318 CovalentContact SG-SG 2.03Å; C302-C318 PolarHBondContact SG-SG 3.31Å
319D91Very high88.6Confident64 Ų6478.9 Ų78.934%0.34245%0.45SS..EExtended strand (participates in β ladder)trans-114.7157.1176.3-78.6-40.2000111.1E307 L308 K317E307-D319 CarbonylContact C-O 3.48Å; E307-D319 WeakPolarHBondContact CA-O 3.01Å; L308-D319 PolarHBondContact N-O 2.03Å; L308-D319 PolarHBondContact O-N 3.32Å; K317-D319 WeakPolarHBondContact CE-OD1 3.44Å; K317-D319 WeakPolarHBondContact CE-OD2 3.13Å; K317-D319 IonicContact NZ-OD1 3.29Å; K317-D319 PolarHBondContact NZ-OD1 3.43Å; K317-D319 IonicContact NZ-OD2 3.75Å; K317-D319 PolarHBondContact NZ-OD2 2.78Å
320C88.6Confident88Confident36 Ų3678 Ų7824%0.24345%0.446CS..EExtended strand (participates in β ladder)trans-71.2138.9175.2-62.70000111.9G306 R326 C331G306-C320 CarbonylContact O-C 3.6Å; C320-R326 VanDerWaalsContact SG-CA 3.52Å; C320-R326 PolarHBondContact SG-N 2.04Å; C320-C331 WeakPolarHBondContact CA-SG 3.2Å; C320-C331 HydrophobicContact CB-CB 3.85Å; C320-C331 WeakPolarHBondContact CB-SG 3.37Å; C320-C331 WeakPolarHBondContact SG-CB 3.16Å; C320-C331 CovalentContact SG-SG 2.03Å; C320-C331 PolarHBondContact SG-SG 2.88Å
321K87.8Confident87.6Confident102 Ų10276 Ų7644%0.44343%0.434SS..PPolyproline II helixtrans-59.3155.3170.9-68.1-179-166.3-179.20110.8G306 E307 L308 G323 Y324G306-K321 WeakPolarHBondContact O-CB 3.07Å; G306-K321 WeakPolarHBondContact O-CG 3.19Å; G306-K321 PolarHBondContact O-N 2.91Å; E307-K321 WeakPolarHBondContact O-CE 3.5Å; L308-K321 HydrophobicContact CB-CG 4.2Å; K321-G323 PolarHBondContact O-N 3.15Å; K321-Y324 HydrophobicContact CB-CD2 3.89Å; K321-Y324 HydrophobicContact CB-CE2 4.31Å; K321-Y324 WeakPolarHBondContact O-CB 3.28Å; K321-Y324 PolarHBondContact O-N 3.06Å
322S86Confident87Confident128 Ų12876.5 Ų76.590%0.89544%0.439SS*.THydrogen-bonded Turntrans-51.9129.9173.1-63.20000111.4
323G84.2Confident86.4Confident46 Ų4679.1 Ų79.147%0.47445%0.451SS..THydrogen-bonded Turntrans85.72.7-17500000114.5K321 L333 A334K321-G323 PolarHBondContact O-N 3.15Å; G323-L333 CarbonylContact O-C 3.56Å; G323-A334 WeakPolarHBondContact O-CB 3.02Å; G323-A334 PolarHBondContact O-N 3.41Å
324Y86.2Confident85.6Confident69 Ų6975.9 Ų75.927%0.27144%0.436SS..EExtended strand (participates in β ladder)trans-111.7151.7172.1-67.9-111.5000111.2K321 C331 V332 L333K321-Y324 HydrophobicContact CB-CD2 3.89Å; K321-Y324 HydrophobicContact CB-CE2 4.31Å; K321-Y324 WeakPolarHBondContact O-CB 3.28Å; K321-Y324 PolarHBondContact O-N 3.06Å; Y324-C331 HydrophobicContact CD1-CB 4.23Å; Y324-V332 CarbonylContact C-O 3.54Å; Y324-V332 WeakPolarHBondContact CA-O 3.07Å; Y324-L333 HydrophobicContact CD1-CD2 4.43Å; Y324-L333 HydrophobicContact CD1-CG 4.21Å; Y324-L333 HydrophobicContact CD2-CD2 3.95Å; Y324-L333 HydrophobicContact CE1-CB 4.48Å; Y324-L333 HydrophobicContact CE1-CD2 3.94Å; Y324-L333 HydrophobicContact CE1-CG 3.62Å; Y324-L333 HydrophobicContact CE2-CD2 3.37Å; Y324-L333 HydrophobicContact CE2-CG 4.04Å; Y324-L333 HydrophobicContact CG-CD2 4.43Å; Y324-L333 VanDerWaalsContact CZ-CG 3.5Å
325K84.2Confident84.3Confident146 Ų14681.1 Ų81.164%0.63546%0.463SS*.EExtended strand (participates in β ladder)trans-122.7138.4173.3-73.8-174176.7-173.20111.2T327 C331 V332 A334K325-T327 PolarHBondContact O-N 3.49Å; K325-C331 WeakPolarHBondContact O-CA 3.45Å; K325-V332 PolarHBondContact N-O 2.99Å; K325-V332 PolarHBondContact O-N 2.84Å; K325-A334 HydrophobicContact CD-CB 4.48Å; K325-A334 HydrophobicContact CG-CB 4.3Å
326R85Confident82.2Confident170 Ų17088 Ų8864%0.64249%0.486SS*.EExtended strand (participates in β ladder)trans-71.4119.5178.6-166.1164.5-174.975.8-0.2110.1E307 C320E307-R326 IonicContact OE1-CZ 3.72Å; E307-R326 IonicContact OE1-NH1 3.71Å; E307-R326 PolarHBondContact OE1-NH1 2.82Å; C320-R326 VanDerWaalsContact SG-CA 3.52Å; C320-R326 PolarHBondContact SG-N 2.04Å
327T82Confident79.6Confident64 Ų6490.2 Ų90.239%0.39351%0.507SS..EExtended strand (participates in β ladder)trans-117.4170.4175.9-50.60000108.8K325 S329 G330 V332K325-T327 PolarHBondContact O-N 3.49Å; T327-S329 PolarHBondContact O-N 2.82Å; T327-S329 VanDerWaalsContact O-N 3.13Å; T327-G330 WeakPolarHBondContact CA-O 3.26Å; T327-G330 WeakPolarHBondContact CB-O 3.09Å; T327-G330 PolarHBondContact N-O 2.93Å; T327-G330 PolarHBondContact O-N 2.9Å; T327-G330 VanDerWaalsContact O-N 3.09Å; T327-V332 WeakPolarHBondContact OG1-CG2 3.38Å
328S80.6Confident76.8Confident129 Ų12993 Ų9390%0.90252%0.522SS*.THydrogen-bonded Turntrans-56.7-24.5176.152.60000114.1
329S76.4Confident73.8Confident101 Ų101101 Ų10171%0.70655%0.553SS**THydrogen-bonded Turntrans-100.69.1179.1600000114.3T327T327-S329 PolarHBondContact O-N 2.82Å; T327-S329 VanDerWaalsContact O-N 3.13Å
330G79.6Confident70.9Confident14 Ų14101.8 Ų101.814%0.14458%0.577CS.*EExtended strand (participates in β ladder)trans113.8-165.9-176.900000114.2T327T327-G330 WeakPolarHBondContact CA-O 3.26Å; T327-G330 WeakPolarHBondContact CB-O 3.09Å; T327-G330 PolarHBondContact N-O 2.93Å; T327-G330 PolarHBondContact O-N 2.9Å; T327-G330 VanDerWaalsContact O-N 3.09Å
331C83.6Confident68Low10 Ų10105.9 Ų105.97%0.06861%0.606CS.*EExtended strand (participates in β ladder)trans-82.9126.4179.8-66.80000111.7E307 C320 Y324 K325E307-C331 HydrophobicContact CG-CB 4.22Å; E307-C331 WeakPolarHBondContact CG-SG 3.4Å; C320-C331 WeakPolarHBondContact CA-SG 3.2Å; C320-C331 HydrophobicContact CB-CB 3.85Å; C320-C331 WeakPolarHBondContact CB-SG 3.37Å; C320-C331 WeakPolarHBondContact SG-CB 3.16Å; C320-C331 CovalentContact SG-SG 2.03Å; C320-C331 PolarHBondContact SG-SG 2.88Å; Y324-C331 HydrophobicContact CD1-CB 4.23Å; K325-C331 WeakPolarHBondContact O-CA 3.45Å
332V82.1Confident65.1Low67 Ų67110.2 Ų110.241%0.40663%0.625SS.*EExtended strand (participates in β ladder)trans-122.1143.2180-59.70000112.2Y324 K325 T327 A334Y324-V332 CarbonylContact C-O 3.54Å; Y324-V332 WeakPolarHBondContact CA-O 3.07Å; K325-V332 PolarHBondContact N-O 2.99Å; K325-V332 PolarHBondContact O-N 2.84Å; T327-V332 WeakPolarHBondContact OG1-CG2 3.38Å; V332-A334 PolarHBondContact O-N 3.35Å
333L80Confident62.1Low114 Ų114109.8 Ų109.860%0.59762%0.617SS**EExtended strand (participates in β ladder)trans-58119.7179.2-82.1167.2000112.1G323 Y324 V335G323-L333 CarbonylContact O-C 3.56Å; Y324-L333 HydrophobicContact CD1-CD2 4.43Å; Y324-L333 HydrophobicContact CD1-CG 4.21Å; Y324-L333 HydrophobicContact CD2-CD2 3.95Å; Y324-L333 HydrophobicContact CE1-CB 4.48Å; Y324-L333 HydrophobicContact CE1-CD2 3.94Å; Y324-L333 HydrophobicContact CE1-CG 3.62Å; Y324-L333 HydrophobicContact CE2-CD2 3.37Å; Y324-L333 HydrophobicContact CE2-CG 4.04Å; Y324-L333 HydrophobicContact CG-CD2 4.43Å; Y324-L333 VanDerWaalsContact CZ-CG 3.5Å; L333-V335 PolarHBondContact O-N 2.83Å
334A76.2Confident59.3Low47 Ų47112.9 Ų112.939%0.38863%0.631SS.*  trans-81.291.1166.500000109.5G323 K325 V332 K336G323-A334 WeakPolarHBondContact O-CB 3.02Å; G323-A334 PolarHBondContact O-N 3.41Å; K325-A334 HydrophobicContact CD-CB 4.48Å; K325-A334 HydrophobicContact CG-CB 4.3Å; V332-A334 PolarHBondContact O-N 3.35Å; A334-K336 PolarHBondContact O-N 2.79Å
335V64.2Low56.5Low133 Ų133117.4 Ų117.481%0.80666%0.66SS**  trans-59116.8174.4-179.20000110.4L333L333-V335 PolarHBondContact O-N 2.83Å
336K49.9Very low53.7Low201 Ų201119.2 Ų119.287%0.87467%0.668SS**  trans-142.5138.2153.2-75.3-164.3177.7-178.20111.2A334A334-K336 PolarHBondContact O-N 2.79Å
337P39.5Very low51Low117 Ų117120.5 Ų120.576%0.7668%0.679SS**  trans-90.3152.9-169.135-32.2000114.6
338E34.5Very low48.3Very low166 Ų166123.7 Ų123.778%0.77669%0.689SS**  trans63.1104.7153.6-73.7-161.9-164.900121.8
339K27.6Very low45.8Very low196 Ų196123.7 Ų123.785%0.85268%0.684SS**  156132.4100.6-100.3170.5-172.6176.10111.8
340G30.8Very low43.3Very low81 Ų81127 Ų12784%0.83569%0.685SS**  trans100.366.4151.700000117.4
341S27.4Very low41.1Very low123 Ų123132 Ų13286%0.8672%0.718SS**  trans-80.5117.7162.6-178.90000109.9
342K26.4Very low38.3Very low193 Ų193136.7 Ų136.784%0.83975%0.747SS**  trans-134113.9159.2-83.2-164.1178.4-1780109.9
343T23.5Very low35.9Very low118 Ų118140.1 Ų140.172%0.72477%0.767SS**  trans50.7107.7141.6550000119.2
344S26.3Very low33.7Very low112 Ų112142.5 Ų142.578%0.78378%0.775SS**  trans-28.8122.2145.448.90000115.3
345D27.4Very low31.2Very low164 Ų164145.9 Ų145.988%0.87779%0.787SS**  trans-122.6129148.3-91.6-40.9000109.5
346K24.8Very low29.7Very low184 Ų184147.4 Ų147.480%0.879%0.789SS**  trans-91.8119.3-174.7-163.5-176.3-169.4-173.80106.5
347F28.2Very low28.9Very low197 Ų197142.2 Ų142.286%0.86477%0.77SS**  trans-121.2104.5164.6-119-90.7000110
348E24.5Very low28.6Very low131 Ų131139.8 Ų139.861%0.61276%0.756SS**  trans-83125.1168.6-171.4176166.300107.4
349T29.2Very low28.8Very low128 Ų128142.8 Ų142.879%0.78576%0.76SS**  trans-130.6107.6160.329.60000109.3
350K24.2Very low30Very low171 Ų171136.6 Ų136.674%0.74374%0.736SS**  trans-65.4141162.1-69.7169.3176.6169.80108.9
351S33.1Very low30.5Very low118 Ų118142.8 Ų142.883%0.82574%0.735SS**  trans-149.2118.4144.1-158.90000110.8
352T24.9Very low31.1Very low110 Ų110143.4 Ų143.468%0.67573%0.729SS**  trans-81.7129.2177.5-51.20000108.8
353V32.2Very low31.6Very low138 Ų138136.9 Ų136.984%0.83671%0.705SS**  trans-135.3128.6157.7-179.20000109.5
354H31.9Very low32.5Very low165 Ų165135.5 Ų135.576%0.76469%0.69SS**  trans-74141.1-169.8-87.2-91.2000114.1
355N25.5Very low33.3Very low117 Ų117140.3 Ų140.363%0.62669%0.691SS**  trans-62.2127.8162.7-129.8-24.7000111.1
356I32.7Very low34.2Very low166 Ų166137.3 Ų137.385%0.85167%0.674SS**  trans-135.6120.9152.2-63.5-175.4000109.3
357N33.1Very low35.5Very low91 Ų91132.2 Ų132.249%0.48766%0.655SS.*  trans-75.5162.4-176.5-93.9-29.7000115.4
358S32.7Very low36.5Very low66 Ų66127.9 Ų127.946%0.46263%0.633SS.*  trans-56.4130.2168.4175.20000115.1N360S358-N360 WeakPolarHBondContact OG-CB 3.37Å; S358-N360 PolarHBondContact OG-N 2.82Å
359R39.5Very low38.1Very low229 Ų229126 Ų12686%0.86463%0.63SS**  trans-12888.8136.8-97.5-179.1172.4158.6-1.2104.7T363R359-T363 WeakPolarHBondContact O-CB 3.38Å; R359-T363 PolarHBondContact O-OG1 3.24Å
360N52.6Low40Very low66 Ų66123.5 Ų123.535%0.35361%0.614SS.*  trans-11999.8-155.9-164.719.4000111.9S358 Q364S358-N360 WeakPolarHBondContact OG-CB 3.37Å; S358-N360 PolarHBondContact OG-N 2.82Å; N360-Q364 WeakPolarHBondContact OD1-CG 3.45Å
361R39.8Very low42Very low211 Ų211117.7 Ų117.780%0.79659%0.593SS**SBendtrans-174.2-52.4151.9-107.9-175.9-84.9-174.4-5.7111T363 Q364R361-T363 VanDerWaalsContact C-N 3.29Å; R361-Q364 PolarHBondContact O-N 3.42Å; R361-Q364 VanDerWaalsContact O-N 3.15Å
362N40.5Very low43.9Very low137 Ų137116.6 Ų116.673%0.73357%0.572SS**Hα-helixtrans-65.9-37.4164.6-80.75.5000111.1Q364 I366N362-Q364 PolarHBondContact O-N 2.76Å; N362-I366 WeakPolarHBondContact O-CB 3.02Å; N362-I366 WeakPolarHBondContact O-CD1 3.03Å; N362-I366 VanDerWaalsContact O-CG1 3.25Å; N362-I366 WeakPolarHBondContact O-CG1 3.41Å; N362-I366 PolarHBondContact O-N 2.84Å
363T38Very low46.2Very low56 Ų56114 Ų11434%0.34456%0.556SS.*Hα-helixtrans-65.1-25.2173-43.20000111.7R359 R361 I366 I367R359-T363 WeakPolarHBondContact O-CB 3.38Å; R359-T363 PolarHBondContact O-OG1 3.24Å; R361-T363 VanDerWaalsContact C-N 3.29Å; T363-I366 CarbonylContact O-C 3.56Å; T363-I367 HydrophobicContact CG2-CD1 3.58Å; T363-I367 HydrophobicContact CG2-CG1 3.9Å; T363-I367 WeakPolarHBondContact O-CA 3.36Å; T363-I367 WeakPolarHBondContact O-CB 3.47Å; T363-I367 WeakPolarHBondContact O-CD1 3.05Å; T363-I367 WeakPolarHBondContact O-CG1 3.47Å; T363-I367 PolarHBondContact O-N 3.35Å
364Q41.4Very low48.3Very low88 Ų88113.1 Ų113.141%0.41154%0.541SS..Hα-helixtrans-73-47.5178.5-130.2-175.7-2.900111.2N360 R361 N362 I366 I367 W368N360-Q364 WeakPolarHBondContact OD1-CG 3.45Å; R361-Q364 PolarHBondContact O-N 3.42Å; R361-Q364 VanDerWaalsContact O-N 3.15Å; N362-Q364 PolarHBondContact O-N 2.76Å; Q364-I366 VanDerWaalsContact C-N 3.32Å; Q364-I366 PolarHBondContact O-N 2.85Å; Q364-I367 CarbonylContact O-C 3.56Å; Q364-I367 WeakPolarHBondContact O-CB 3.24Å; Q364-I367 PolarHBondContact O-N 3.46Å; Q364-I367 VanDerWaalsContact O-N 3.11Å; Q364-W368 PolarHBondContact O-N 2.73Å
365R43.8Very low50.4Low213 Ų213106.8 Ų106.880%0.80451%0.512SS*.Hα-helixtrans-58.2-43.4169.7-97.9-174.1-160.1-179.78.5112.1I367 W368 T369R365-I367 VanDerWaalsContact C-N 3.35Å; R365-W368 PolarHBondContact O-N 3.24Å; R365-T369 PolarHBondContact O-N 3.34Å; R365-T369 PolarHBondContact O-OG1 2.73Å; R365-T369 VanDerWaalsContact O-OG1 3.07Å
366I45.6Very low53.1Low101 Ų101106 Ų10652%0.51850%0.503SS..Hα-helixtrans-63.2-40.6174.3-65.9166.3000110.5N362 T363 Q364 W368 T369 V370N362-I366 WeakPolarHBondContact O-CB 3.02Å; N362-I366 WeakPolarHBondContact O-CD1 3.03Å; N362-I366 VanDerWaalsContact O-CG1 3.25Å; N362-I366 WeakPolarHBondContact O-CG1 3.41Å; N362-I366 PolarHBondContact O-N 2.84Å; T363-I366 CarbonylContact O-C 3.56Å; Q364-I366 VanDerWaalsContact C-N 3.32Å; Q364-I366 PolarHBondContact O-N 2.85Å; I366-W368 VanDerWaalsContact C-N 3.35Å; I366-W368 PolarHBondContact O-N 2.71Å; I366-T369 CarbonylContact O-C 3.53Å; I366-T369 PolarHBondContact O-N 3.16Å; I366-V370 HydrophobicContact CG2-CG2 3.89Å; I366-V370 WeakPolarHBondContact O-CA 3.35Å; I366-V370 WeakPolarHBondContact O-CB 3.35Å; I366-V370 WeakPolarHBondContact O-CG2 3.46Å; I366-V370 PolarHBondContact O-N 2.03Å
367I51.5Low55.5Low77 Ų77103.3 Ų103.340%0.39549%0.49SS..Hα-helixtrans-64.5-38.8177.2-76.4158.5000109.9T363 Q364 R365 V370 T371T363-I367 HydrophobicContact CG2-CD1 3.58Å; T363-I367 HydrophobicContact CG2-CG1 3.9Å; T363-I367 WeakPolarHBondContact O-CA 3.36Å; T363-I367 WeakPolarHBondContact O-CB 3.47Å; T363-I367 WeakPolarHBondContact O-CD1 3.05Å; T363-I367 WeakPolarHBondContact O-CG1 3.47Å; T363-I367 PolarHBondContact O-N 3.35Å; Q364-I367 CarbonylContact O-C 3.56Å; Q364-I367 WeakPolarHBondContact O-CB 3.24Å; Q364-I367 PolarHBondContact O-N 3.46Å; Q364-I367 VanDerWaalsContact O-N 3.11Å; R365-I367 VanDerWaalsContact C-N 3.35Å; I367-V370 CarbonylContact O-C 3.53Å; I367-V370 PolarHBondContact O-N 2.72Å; I367-T371 WeakPolarHBondContact O-CA 3.26Å; I367-T371 WeakPolarHBondContact O-CB 3.13Å; I367-T371 PolarHBondContact O-N 3.14Å; I367-T371 PolarHBondContact O-OG1 3.5Å
368W49.8Very low57.7Low107 Ų107102.8 Ų102.841%0.40548%0.483SS..Hα-helixtrans-67.5-47.1175.8-72.3109.5000110.9Q364 R365 I366 V370 T371 Y372 V421 N424Q364-W368 PolarHBondContact O-N 2.73Å; R365-W368 PolarHBondContact O-N 3.24Å; I366-W368 VanDerWaalsContact C-N 3.35Å; I366-W368 PolarHBondContact O-N 2.71Å; W368-V370 VanDerWaalsContact C-N 3.28Å; W368-V370 PolarHBondContact O-N 3.13Å; W368-T371 PolarHBondContact O-N 2.8Å; W368-Y372 WeakPolarHBondContact O-CB 3.35Å; W368-Y372 PolarHBondContact O-N 2.8Å; W368-V421 HydrophobicContact CE3-CG1 4.18Å; W368-V421 HydrophobicContact CZ3-CG1 4.2Å; W368-N424 HydrophobicContact CH2-CB 4.49Å
369T58.4Low60.2Low90 Ų90103.3 Ų103.355%0.55248%0.475SS*.Hα-helixtrans-61.1-37.9172.8-52.20000111.4R365 I366 T373R365-T369 PolarHBondContact O-N 3.34Å; R365-T369 PolarHBondContact O-OG1 2.73Å; R365-T369 VanDerWaalsContact O-OG1 3.07Å; I366-T369 CarbonylContact O-C 3.53Å; I366-T369 PolarHBondContact O-N 3.16Å; T369-T373 HydrophobicContact CG2-CG2 4.48Å; T369-T373 VanDerWaalsContact O-CB 3.26Å; T369-T373 WeakPolarHBondContact O-CB 3.4Å; T369-T373 WeakPolarHBondContact O-CG2 3.49Å; T369-T373 PolarHBondContact O-N 3.46Å; T369-T373 PolarHBondContact O-OG1 2.04Å
370V68Low62.4Low76 Ų7694.4 Ų94.446%0.46145%0.448SS..Hα-helixtrans-71.9-35.8176.4170.90000111.7I366 I367 W368 T373 K374I366-V370 HydrophobicContact CG2-CG2 3.89Å; I366-V370 WeakPolarHBondContact O-CA 3.35Å; I366-V370 WeakPolarHBondContact O-CB 3.35Å; I366-V370 WeakPolarHBondContact O-CG2 3.46Å; I366-V370 PolarHBondContact O-N 2.03Å; I367-V370 CarbonylContact O-C 3.53Å; I367-V370 PolarHBondContact O-N 2.72Å; W368-V370 VanDerWaalsContact C-N 3.28Å; W368-V370 PolarHBondContact O-N 3.13Å; V370-T373 WeakPolarHBondContact CA-OG1 3.38Å; V370-T373 PolarHBondContact O-OG1 3.26Å; V370-T373 VanDerWaalsContact O-OG1 3.13Å; V370-K374 WeakPolarHBondContact O-CA 3.31Å; V370-K374 WeakPolarHBondContact O-CB 3.28Å; V370-K374 PolarHBondContact O-N 3.49Å
371T66.4Low64Low49 Ų4994 Ų9430%0.30145%0.454SS..Hα-helixtrans-71-47.2177.4-60.40000109.5I367 W368 K374 E375I367-T371 WeakPolarHBondContact O-CA 3.26Å; I367-T371 WeakPolarHBondContact O-CB 3.13Å; I367-T371 PolarHBondContact O-N 3.14Å; I367-T371 PolarHBondContact O-OG1 3.5Å; W368-T371 PolarHBondContact O-N 2.8Å; T371-K374 PolarHBondContact O-N 2.03Å; T371-E375 WeakPolarHBondContact O-CG 3.37Å; T371-E375 PolarHBondContact O-N 3.39Å
372Y73Confident66.2Low95 Ų9585.5 Ų85.537%0.37343%0.427SS..Hα-helixtrans-59.1-50173.2-178.8-91.6000110.9W368 K374 E375 F376 F418 F422W368-Y372 WeakPolarHBondContact O-CB 3.35Å; W368-Y372 PolarHBondContact O-N 2.8Å; Y372-K374 VanDerWaalsContact C-N 3.32Å; Y372-K374 PolarHBondContact O-N 3.48Å; Y372-E375 PolarHBondContact O-N 3.15Å; Y372-F376 WeakPolarHBondContact O-CB 3.45Å; Y372-F376 PolarHBondContact O-N 3.04Å; Y372-F418 AromaticContact CD2-CD1 3.75Å; Y372-F418 HydrophobicContact CD2-CD1 3.75Å; Y372-F418 AromaticContact CD2-CE1 3.62Å; Y372-F418 HydrophobicContact CD2-CE1 3.62Å; Y372-F418 AromaticContact CE2-CD1 3.6Å; Y372-F418 HydrophobicContact CE2-CD1 3.6Å; Y372-F418 AromaticContact CE2-CE1 3.55Å; Y372-F418 HydrophobicContact CE2-CE1 3.55Å; Y372-F418 HydrophobicContact CG-CE1 4.34Å; Y372-F422 HydrophobicContact CE2-CE2 4.04Å; Y372-F422 AromaticContact CE2-CZ 3.9Å; Y372-F422 HydrophobicContact CE2-CZ 3.9Å
373T75Confident68.4Low57 Ų5782.6 Ų82.635%0.3541%0.411SS..Hα-helixtrans-65.4-32.9177.150.70000112.5T369 V370 F376 L377T369-T373 HydrophobicContact CG2-CG2 4.48Å; T369-T373 VanDerWaalsContact O-CB 3.26Å; T369-T373 WeakPolarHBondContact O-CB 3.4Å; T369-T373 WeakPolarHBondContact O-CG2 3.49Å; T369-T373 PolarHBondContact O-N 3.46Å; T369-T373 PolarHBondContact O-OG1 2.04Å; V370-T373 WeakPolarHBondContact CA-OG1 3.38Å; V370-T373 PolarHBondContact O-OG1 3.26Å; V370-T373 VanDerWaalsContact O-OG1 3.13Å; T373-F376 PolarHBondContact O-N 3.08Å; T373-L377 WeakPolarHBondContact O-CA 3.05Å; T373-L377 WeakPolarHBondContact O-CB 3.04Å; T373-L377 WeakPolarHBondContact O-CG 2.98Å; T373-L377 PolarHBondContact O-N 2.77Å
374K74.9Confident70.8Confident119 Ų11982.8 Ų82.852%0.51742%0.418SS..Hα-helixtrans-68.1-45.8174.5-178.9-176.7-178.8-177.50111.4V370 T371 Y372 F376 L377 K378V370-K374 WeakPolarHBondContact O-CA 3.31Å; V370-K374 WeakPolarHBondContact O-CB 3.28Å; V370-K374 PolarHBondContact O-N 3.49Å; T371-K374 PolarHBondContact O-N 2.03Å; Y372-K374 VanDerWaalsContact C-N 3.32Å; Y372-K374 PolarHBondContact O-N 3.48Å; K374-F376 VanDerWaalsContact C-N 3.3Å; K374-L377 PolarHBondContact O-N 3.19Å; K374-K378 WeakPolarHBondContact O-CB 3.39Å; K374-K378 VanDerWaalsContact O-CG 3.26Å; K374-K378 WeakPolarHBondContact O-CG 3.36Å; K374-K378 PolarHBondContact O-N 2.71Å
375E77Confident73.1Confident31 Ų3181.2 Ų81.215%0.14542%0.42CS..Hα-helixtrans-66-36.4174.7-65.1-43.7129.300111.1T371 Y372 K378 Y379 Q414 F418T371-E375 WeakPolarHBondContact O-CG 3.37Å; T371-E375 PolarHBondContact O-N 3.39Å; Y372-E375 PolarHBondContact O-N 3.15Å; E375-K378 VanDerWaalsContact CD-NZ 3.3Å; E375-K378 PolarHBondContact O-N 3.44Å; E375-K378 IonicContact OE1-NZ 2.69Å; E375-K378 PolarHBondContact OE1-NZ 3.46Å; E375-K378 VanDerWaalsContact OE2-CD 3.23Å; E375-K378 WeakPolarHBondContact OE2-CD 3.43Å; E375-K378 IonicContact OE2-NZ 3.63Å; E375-K378 PolarHBondContact OE2-NZ 2.95Å; E375-K378 VanDerWaalsContact OE2-NZ 3.14Å; E375-Y379 VanDerWaalsContact O-CB 3.27Å; E375-Y379 WeakPolarHBondContact O-CB 3.35Å; E375-Y379 PolarHBondContact O-N 3.38Å; E375-Q414 PolarHBondContact OE2-NE2 3.17Å; E375-Q414 PolarHBondContact OE2-OE1 3.24Å; E375-F418 HydrophobicContact CB-CE1 3.92Å; E375-F418 HydrophobicContact CB-CE2 4.4Å; E375-F418 HydrophobicContact CB-CZ 3.71Å
376F81Confident75.3Confident101 Ų10173.5 Ų73.544%0.44339%0.393SS..Hα-helixtrans-67.9-37.8174.2-174.8-95.2000112.3Y372 T373 K374 Y379 S380 F418Y372-F376 WeakPolarHBondContact O-CB 3.45Å; Y372-F376 PolarHBondContact O-N 3.04Å; T373-F376 PolarHBondContact O-N 3.08Å; K374-F376 VanDerWaalsContact C-N 3.3Å; F376-Y379 WeakPolarHBondContact O-CB 3.41Å; F376-Y379 PolarHBondContact O-N 3.37Å; F376-S380 WeakPolarHBondContact O-CB 3.5Å; F376-S380 PolarHBondContact O-N 3.07Å; F376-S380 PolarHBondContact O-OG 3.47Å; F376-F418 HydrophobicContact CB-CZ 4.24Å
377L82.8Confident77.3Confident110 Ų11070.6 Ų70.658%0.57639%0.388SS*.Hα-helixtrans-69-40.2174.2-79.8168.8000111.3T373 K374 S380 A381T373-L377 WeakPolarHBondContact O-CA 3.05Å; T373-L377 WeakPolarHBondContact O-CB 3.04Å; T373-L377 WeakPolarHBondContact O-CG 2.98Å; T373-L377 PolarHBondContact O-N 2.77Å; K374-L377 PolarHBondContact O-N 3.19Å; L377-S380 VanDerWaalsContact CA-OG 3.28Å; L377-S380 WeakPolarHBondContact CA-OG 3.32Å; L377-S380 PolarHBondContact O-N 3.02Å; L377-S380 PolarHBondContact O-OG 2.94Å; L377-S380 VanDerWaalsContact O-OG 3.14Å; L377-A381 WeakPolarHBondContact O-CB 3.08Å; L377-A381 PolarHBondContact O-N 3.32Å
378K81.1Confident79Confident80 Ų8070.6 Ų70.635%0.34839%0.392SS..Hα-helixtrans-61.6-47.2171.5-72.6167.1175.2176.60110.5K374 E375 S380 A381 S382K374-K378 WeakPolarHBondContact O-CB 3.39Å; K374-K378 VanDerWaalsContact O-CG 3.26Å; K374-K378 WeakPolarHBondContact O-CG 3.36Å; K374-K378 PolarHBondContact O-N 2.71Å; E375-K378 VanDerWaalsContact CD-NZ 3.3Å; E375-K378 PolarHBondContact O-N 3.44Å; E375-K378 IonicContact OE1-NZ 2.69Å; E375-K378 PolarHBondContact OE1-NZ 3.46Å; E375-K378 VanDerWaalsContact OE2-CD 3.23Å; E375-K378 WeakPolarHBondContact OE2-CD 3.43Å; E375-K378 IonicContact OE2-NZ 3.63Å; E375-K378 PolarHBondContact OE2-NZ 2.95Å; E375-K378 VanDerWaalsContact OE2-NZ 3.14Å; K378-S380 PolarHBondContact O-N 2.96Å; K378-A381 PolarHBondContact O-N 2.88Å; K378-S382 VanDerWaalsContact O-CB 3.32Å; K378-S382 WeakPolarHBondContact O-CB 3.17Å; K378-S382 PolarHBondContact O-N 3.26Å; K378-S382 PolarHBondContact O-OG 2.8Å
379Y83.8Confident81Confident76 Ų7669.6 Ų69.630%0.29839%0.39SS..Hα-helixtrans-56.1-51176.4174.4-95.3000111.8E375 F376 S382 L383 V411E375-Y379 VanDerWaalsContact O-CB 3.27Å; E375-Y379 WeakPolarHBondContact O-CB 3.35Å; E375-Y379 PolarHBondContact O-N 3.38Å; F376-Y379 WeakPolarHBondContact O-CB 3.41Å; F376-Y379 PolarHBondContact O-N 3.37Å; Y379-S382 PolarHBondContact O-N 3.39Å; Y379-L383 HydrophobicContact CD1-CD1 4.07Å; Y379-L383 HydrophobicContact CE1-CD1 3.45Å; Y379-L383 VanDerWaalsContact CE1-CD1 3.45Å; Y379-L383 HydrophobicContact CE1-CG 4.47Å; Y379-L383 HydrophobicContact CE2-CD1 4.43Å; Y379-L383 WeakPolarHBondContact O-CG 3.18Å; Y379-L383 PolarHBondContact O-N 2.94Å; Y379-V411 HydrophobicContact CD2-CG2 4.25Å; Y379-V411 HydrophobicContact CE2-CB 4.34Å; Y379-V411 HydrophobicContact CE2-CG1 3.91Å; Y379-V411 HydrophobicContact CE2-CG2 3.72Å
380S85.3Confident82.4Confident42 Ų4266.7 Ų66.729%0.29437%0.373SS..Hα-helixtrans-68.8-37.4179.250.60000113.2F376 L377 K378 L383 A384F376-S380 WeakPolarHBondContact O-CB 3.5Å; F376-S380 PolarHBondContact O-N 3.07Å; F376-S380 PolarHBondContact O-OG 3.47Å; L377-S380 VanDerWaalsContact CA-OG 3.28Å; L377-S380 WeakPolarHBondContact CA-OG 3.32Å; L377-S380 PolarHBondContact O-N 3.02Å; L377-S380 PolarHBondContact O-OG 2.94Å; L377-S380 VanDerWaalsContact O-OG 3.14Å; K378-S380 PolarHBondContact O-N 2.96Å; S380-L383 PolarHBondContact O-N 3Å; S380-A384 WeakPolarHBondContact O-CB 3.45Å; S380-A384 PolarHBondContact O-N 2.7Å
381A86.6Confident83.3Confident57 Ų5770.6 Ų70.647%0.47138%0.38SS..Hα-helixtrans-65.6-38.8173.400000112.1L377 K378 A384 A385L377-A381 WeakPolarHBondContact O-CB 3.08Å; L377-A381 PolarHBondContact O-N 3.32Å; K378-A381 PolarHBondContact O-N 2.88Å; A381-A384 PolarHBondContact O-N 3.41Å; A381-A385 VanDerWaalsContact O-CB 3.24Å; A381-A385 WeakPolarHBondContact O-CB 3.37Å; A381-A385 PolarHBondContact O-N 2.04Å
382S86.4Confident84.2Confident34 Ų3476 Ų7624%0.23840%0.4CS..Hα-helixtrans-65.2-39.9175.1-66.90000111.6K378 Y379 F386 Y410K378-S382 VanDerWaalsContact O-CB 3.32Å; K378-S382 WeakPolarHBondContact O-CB 3.17Å; K378-S382 PolarHBondContact O-N 3.26Å; K378-S382 PolarHBondContact O-OG 2.8Å; Y379-S382 PolarHBondContact O-N 3.39Å; S382-F386 VanDerWaalsContact O-CB 3.28Å; S382-F386 WeakPolarHBondContact O-CB 3.47Å; S382-F386 PolarHBondContact O-N 3.12Å; S382-Y410 VanDerWaalsContact OG-CE1 3.3Å; S382-Y410 WeakPolarHBondContact OG-CE1 3.05Å
383L86.8Confident84.8Confident75 Ų7572 Ų7239%0.39339%0.386SS..Hα-helixtrans-65.4-41.7172.6-71.7175.5000112.2Y379 S380 F386 G387 I407Y379-L383 HydrophobicContact CD1-CD1 4.07Å; Y379-L383 HydrophobicContact CE1-CD1 3.45Å; Y379-L383 VanDerWaalsContact CE1-CD1 3.45Å; Y379-L383 HydrophobicContact CE1-CG 4.47Å; Y379-L383 HydrophobicContact CE2-CD1 4.43Å; Y379-L383 WeakPolarHBondContact O-CG 3.18Å; Y379-L383 PolarHBondContact O-N 2.94Å; S380-L383 PolarHBondContact O-N 3Å; L383-F386 PolarHBondContact O-N 3.24Å; L383-G387 PolarHBondContact O-N 3.22Å; L383-I407 HydrophobicContact CD2-CG1 4.46Å
384A89.5Confident85Confident60 Ų6076.9 Ų76.950%0.49640%0.402SS..Hα-helixtrans-65.4-44176.400000112S380 A381 F386 G387 T388S380-A384 WeakPolarHBondContact O-CB 3.45Å; S380-A384 PolarHBondContact O-N 2.7Å; A381-A384 PolarHBondContact O-N 3.41Å; A384-F386 VanDerWaalsContact C-N 3.32Å; A384-F386 PolarHBondContact O-N 3.07Å; A384-G387 PolarHBondContact O-N 3.46Å; A384-T388 WeakPolarHBondContact O-CG2 3.26Å; A384-T388 PolarHBondContact O-N 3.11Å; A384-T388 PolarHBondContact O-OG1 2.82Å
385A88.7Confident85.6Confident55 Ų5574.3 Ų74.346%0.45541%0.409SS..Hα-helixtrans-63.6-37.8175.700000111.9A381 T388 F389A381-A385 VanDerWaalsContact O-CB 3.24Å; A381-A385 WeakPolarHBondContact O-CB 3.37Å; A381-A385 PolarHBondContact O-N 2.04Å; A385-T388 WeakPolarHBondContact CA-OG1 3.1Å; A385-T388 PolarHBondContact O-OG1 3.04Å; A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 PolarHBondContact O-N 2.91Å
386F89.8Confident86.2Confident51 Ų5178.9 Ų78.922%0.22443%0.43CS..Hα-helixtrans-64.8-42.2172.2177.5-106.3000111.5S382 L383 A384 F389 C390 A403 S404 I407S382-F386 VanDerWaalsContact O-CB 3.28Å; S382-F386 WeakPolarHBondContact O-CB 3.47Å; S382-F386 PolarHBondContact O-N 3.12Å; L383-F386 PolarHBondContact O-N 3.24Å; A384-F386 VanDerWaalsContact C-N 3.32Å; A384-F386 PolarHBondContact O-N 3.07Å; F386-F389 PolarHBondContact O-N 3.42Å; F386-C390 WeakPolarHBondContact CZ-SG 3.39Å; F386-C390 WeakPolarHBondContact O-CB 3.44Å; F386-C390 PolarHBondContact O-N 2.03Å; F386-C390 PolarHBondContact O-SG 2.65Å; F386-A403 HydrophobicContact CD2-CB 4.13Å; F386-A403 HydrophobicContact CE2-CB 3.83Å; F386-S404 VanDerWaalsContact CZ-OG 3.31Å; F386-S404 WeakPolarHBondContact CZ-OG 3.08Å; F386-I407 HydrophobicContact CB-CG1 4.4Å; F386-I407 HydrophobicContact CD1-CG2 4.42Å; F386-I407 HydrophobicContact CD2-CB 4.35Å; F386-I407 HydrophobicContact CD2-CG2 4.02Å; F386-I407 HydrophobicContact CE1-CG2 4.47Å; F386-I407 HydrophobicContact CE2-CG2 4.1Å; F386-I407 HydrophobicContact CG-CB 4.48Å; F386-I407 HydrophobicContact CG-CG1 4.48Å; F386-I407 HydrophobicContact CG-CG2 4.19Å; F386-I407 HydrophobicContact CZ-CG2 4.33Å
387G88.2Confident86.4Confident40 Ų4078 Ų7841%0.41244%0.435SS..Hα-helixtrans-62-44.9174.900000113.3L383 A384 C390 W391L383-G387 PolarHBondContact O-N 3.22Å; A384-G387 PolarHBondContact O-N 3.46Å; G387-C390 PolarHBondContact O-N 3.39Å; G387-W391 PolarHBondContact O-N 2.66Å
388T87.7Confident86.6Confident77 Ų7781.5 Ų81.547%0.47245%0.446SS..Hα-helixtrans-67.2-40.517656.90000111.5A384 A385 C390 W391 F392A384-T388 WeakPolarHBondContact O-CG2 3.26Å; A384-T388 PolarHBondContact O-N 3.11Å; A384-T388 PolarHBondContact O-OG1 2.82Å; A385-T388 WeakPolarHBondContact CA-OG1 3.1Å; A385-T388 PolarHBondContact O-OG1 3.04Å; T388-C390 PolarHBondContact O-N 3.31Å; T388-W391 WeakPolarHBondContact O-CB 3.08Å; T388-W391 PolarHBondContact O-N 3.38Å; T388-W391 VanDerWaalsContact O-N 3.14Å; T388-F392 VanDerWaalsContact O-CD2 3.3Å; T388-F392 WeakPolarHBondContact O-CD2 3.4Å; T388-F392 PolarHBondContact O-N 3.42Å
389F90.6Very high86.9Confident87 Ų8779.5 Ų79.538%0.38245%0.445SS..Hα-helixtrans-57.9-48172.7177.1-97000111.3A385 F386 W391 F392 A393 A399 A403A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 PolarHBondContact O-N 2.91Å; F386-F389 PolarHBondContact O-N 3.42Å; F389-W391 PolarHBondContact O-N 2.97Å; F389-F392 PolarHBondContact O-N 3.37Å; F389-A393 HydrophobicContact CD1-CB 4.42Å; F389-A393 HydrophobicContact CE1-CB 4.11Å; F389-A393 HydrophobicContact CE2-CB 4.45Å; F389-A393 HydrophobicContact CZ-CB 4.13Å; F389-A393 WeakPolarHBondContact O-CB 3.36Å; F389-A393 PolarHBondContact O-N 3.23Å; F389-A399 HydrophobicContact CZ-CB 4.2Å; F389-A403 HydrophobicContact CD1-CB 3.85Å; F389-A403 HydrophobicContact CE1-CB 3.51Å; F389-A403 HydrophobicContact CZ-CB 4.37Å
390C88.8Confident87.1Confident29 Ų2978 Ų7820%0.19644%0.441CS..Hα-helixtrans-61.4-33.4176.3-690000112.5F386 G387 T388 K394F386-C390 WeakPolarHBondContact CZ-SG 3.39Å; F386-C390 WeakPolarHBondContact O-CB 3.44Å; F386-C390 PolarHBondContact O-N 2.03Å; F386-C390 PolarHBondContact O-SG 2.65Å; G387-C390 PolarHBondContact O-N 3.39Å; T388-C390 PolarHBondContact O-N 3.31Å; C390-K394 WeakPolarHBondContact O-CG 3.4Å; C390-K394 PolarHBondContact O-N 3.48Å
391W87Confident87.2Confident157 Ų15782.4 Ų82.460%0.59546%0.459SS*.Hα-helixtrans-68.9-43.2176.8-177.867.3000112.8G387 T388 F389 K394G387-W391 PolarHBondContact O-N 2.66Å; T388-W391 WeakPolarHBondContact O-CB 3.08Å; T388-W391 PolarHBondContact O-N 3.38Å; T388-W391 VanDerWaalsContact O-N 3.14Å; F389-W391 PolarHBondContact O-N 2.97Å; W391-K394 WeakPolarHBondContact O-CG 3.38Å
392F84.7Confident87.4Confident164 Ų16486 Ų8672%0.71946%0.464SS*.Hα-helixtrans-73.6-35.7175.3-79.9-74.1000112.7T388 F389 K394T388-F392 VanDerWaalsContact O-CD2 3.3Å; T388-F392 WeakPolarHBondContact O-CD2 3.4Å; T388-F392 PolarHBondContact O-N 3.42Å; F389-F392 PolarHBondContact O-N 3.37Å; F392-K394 VanDerWaalsContact C-N 3.29Å; F392-K394 PolarHBondContact O-N 2.67Å
393A86.1Confident87.4Confident9 Ų985.3 Ų85.37%0.07446%0.46CS..THydrogen-bonded Turntrans-88.317.4-177.500000113.5F389 G395 H396 I400F389-A393 HydrophobicContact CD1-CB 4.42Å; F389-A393 HydrophobicContact CE1-CB 4.11Å; F389-A393 HydrophobicContact CE2-CB 4.45Å; F389-A393 HydrophobicContact CZ-CB 4.13Å; F389-A393 WeakPolarHBondContact O-CB 3.36Å; F389-A393 PolarHBondContact O-N 3.23Å; A393-G395 PolarHBondContact O-N 3.13Å; A393-H396 PolarHBondContact O-N 2.7Å; A393-I400 HydrophobicContact CB-CG1 4.21Å; A393-I400 WeakPolarHBondContact O-CD1 3.48Å
394K79.6Confident87.6Confident160 Ų16083.9 Ų83.970%0.69646%0.456SS*.THydrogen-bonded Turntrans-49.3-22.5-178.5-87.3-175.9177.4-176.60115C390 W391 F392C390-K394 WeakPolarHBondContact O-CG 3.4Å; C390-K394 PolarHBondContact O-N 3.48Å; W391-K394 WeakPolarHBondContact O-CG 3.38Å; F392-K394 VanDerWaalsContact C-N 3.29Å; F392-K394 PolarHBondContact O-N 2.67Å
395G87Confident87.7Confident65 Ų6586.2 Ų86.267%0.6746%0.46SS*.THydrogen-bonded Turntrans-940176.400000116.4A393A393-G395 PolarHBondContact O-N 3.13Å
396H89.2Confident87.8Confident127 Ų12787.9 Ų87.959%0.58846%0.461SS*.  trans-125.381.1-173-64.3-60.7000111.7A393 F398 A399 I400A393-H396 PolarHBondContact O-N 2.7Å; H396-F398 PolarHBondContact O-N 2.87Å; H396-A399 HydrophobicContact CB-CB 3.87Å; H396-A399 PolarHBondContact O-N 3.46Å; H396-A399 VanDerWaalsContact O-N 3.16Å; H396-I400 PolarHBondContact O-N 3.05Å
397P85.8Confident87.7Confident84 Ų8486.8 Ų86.855%0.54546%0.457SS..Hα-helixtrans-62.8-38.6-173.124.1-33.8000113.2A399 I400 M401P397-A399 VanDerWaalsContact C-N 3.33Å; P397-A399 PolarHBondContact O-N 2.78Å; P397-I400 PolarHBondContact O-N 3Å; P397-M401 WeakPolarHBondContact O-CG 3.21Å; P397-M401 PolarHBondContact O-N 3.11Å
398F87.1Confident87.7Confident182 Ų18286.8 Ų86.880%0.79846%0.457SS*.Hα-helixtrans-64.5-36177-68.5-70.6000112.9H396 M401 F402H396-F398 PolarHBondContact O-N 2.87Å; F398-M401 PolarHBondContact O-N 2.02Å; F398-F402 WeakPolarHBondContact O-CB 3.43Å; F398-F402 PolarHBondContact O-N 2.62Å
399A85.5Confident87.8Confident39 Ų3988 Ų8832%0.32246%0.46SS..Hα-helixtrans-67.8-39.5176.600000111.2F389 H396 P397 A403F389-A399 HydrophobicContact CZ-CB 4.2Å; H396-A399 HydrophobicContact CB-CB 3.87Å; H396-A399 PolarHBondContact O-N 3.46Å; H396-A399 VanDerWaalsContact O-N 3.16Å; P397-A399 VanDerWaalsContact C-N 3.33Å; P397-A399 PolarHBondContact O-N 2.78Å; A399-A403 VanDerWaalsContact O-CB 3.29Å; A399-A403 WeakPolarHBondContact O-CB 3.26Å; A399-A403 PolarHBondContact O-N 3.08Å
400I88.9Confident87.6Confident44 Ų4487.4 Ų87.423%0.22646%0.456CS..Hα-helixtrans-63.8-45.2174.1-64.5168.2000110.7A393 H396 P397 F402 A403 S404A393-I400 HydrophobicContact CB-CG1 4.21Å; A393-I400 WeakPolarHBondContact O-CD1 3.48Å; H396-I400 PolarHBondContact O-N 3.05Å; P397-I400 PolarHBondContact O-N 3Å; I400-F402 PolarHBondContact O-N 3.38Å; I400-A403 PolarHBondContact O-N 2.8Å; I400-S404 WeakPolarHBondContact O-CB 3.46Å; I400-S404 PolarHBondContact O-N 3.18Å; I400-S404 PolarHBondContact O-OG 2.91Å
401M87.5Confident87.4Confident134 Ų13488 Ų8866%0.6646%0.458SS*.Hα-helixtrans-60.3-45.9177.7-75.9-63-63.300112.2P397 F398 S404 L405P397-M401 WeakPolarHBondContact O-CG 3.21Å; P397-M401 PolarHBondContact O-N 3.11Å; F398-M401 PolarHBondContact O-N 2.02Å; M401-S404 WeakPolarHBondContact O-CB 3.46Å; M401-S404 PolarHBondContact O-N 2.84Å; M401-L405 PolarHBondContact O-N 3.5Å; M401-L405 VanDerWaalsContact O-N 3.13Å
402F89.9Confident87.3Confident134 Ų13487.9 Ų87.959%0.58846%0.459SS*.Hα-helixtrans-64.4-45.1177.4-175.6-104.8000111.8F398 I400 S404 L405 L406F398-F402 WeakPolarHBondContact O-CB 3.43Å; F398-F402 PolarHBondContact O-N 2.62Å; I400-F402 PolarHBondContact O-N 3.38Å; F402-S404 VanDerWaalsContact C-N 3.27Å; F402-S404 PolarHBondContact O-N 2.95Å; F402-L405 PolarHBondContact O-N 2.99Å; F402-L406 HydrophobicContact CD1-CD1 3.95Å; F402-L406 HydrophobicContact CD1-CG 4.4Å; F402-L406 HydrophobicContact CE1-CD1 3.47Å; F402-L406 VanDerWaalsContact CE1-CD1 3.47Å; F402-L406 HydrophobicContact CE1-CG 4.09Å; F402-L406 HydrophobicContact CZ-CD1 4.02Å; F402-L406 HydrophobicContact CZ-CD2 4.33Å; F402-L406 HydrophobicContact CZ-CG 4.28Å; F402-L406 WeakPolarHBondContact O-CG 3.36Å; F402-L406 PolarHBondContact O-N 3.01Å; F402-L406 VanDerWaalsContact O-N 3.08Å
403A88Confident87.2Confident18 Ų1886 Ų8615%0.14945%0.451CS..Hα-helixtrans-61.2-35.317500000112.5F386 F389 A399 I400 L406 I407F386-A403 HydrophobicContact CD2-CB 4.13Å; F386-A403 HydrophobicContact CE2-CB 3.83Å; F389-A403 HydrophobicContact CD1-CB 3.85Å; F389-A403 HydrophobicContact CE1-CB 3.51Å; F389-A403 HydrophobicContact CZ-CB 4.37Å; A399-A403 VanDerWaalsContact O-CB 3.29Å; A399-A403 WeakPolarHBondContact O-CB 3.26Å; A399-A403 PolarHBondContact O-N 3.08Å; I400-A403 PolarHBondContact O-N 2.8Å; A403-L406 PolarHBondContact O-N 3.21Å; A403-I407 WeakPolarHBondContact O-CG2 3.43Å; A403-I407 PolarHBondContact O-N 3.29Å
404S89.2Confident86.9Confident45 Ų4586 Ų8632%0.31545%0.449SS..Hα-helixtrans-64.4-39.3176.6-57.60000112F386 I400 M401 F402 I407 G408F386-S404 VanDerWaalsContact CZ-OG 3.31Å; F386-S404 WeakPolarHBondContact CZ-OG 3.08Å; I400-S404 WeakPolarHBondContact O-CB 3.46Å; I400-S404 PolarHBondContact O-N 3.18Å; I400-S404 PolarHBondContact O-OG 2.91Å; M401-S404 WeakPolarHBondContact O-CB 3.46Å; M401-S404 PolarHBondContact O-N 2.84Å; F402-S404 VanDerWaalsContact C-N 3.27Å; F402-S404 PolarHBondContact O-N 2.95Å; S404-I407 WeakPolarHBondContact O-CG2 3.5Å; S404-G408 PolarHBondContact O-N 3.49Å
405L91.6Very high86.9Confident110 Ų11080.6 Ų80.658%0.57643%0.432SS*.Hα-helixtrans-69.7-40.8176.5-170.8136.2000111.6M401 F402 G408 L409M401-L405 PolarHBondContact O-N 3.5Å; M401-L405 VanDerWaalsContact O-N 3.13Å; F402-L405 PolarHBondContact O-N 2.99Å; L405-G408 PolarHBondContact O-N 3.28Å; L405-L409 HydrophobicContact CD2-CD1 3.82Å; L405-L409 WeakPolarHBondContact O-CG 3.28Å; L405-L409 PolarHBondContact O-N 3.26Å
406L90.7Very high86.5Confident89 Ų8981 Ų8147%0.46642%0.418SS..Hα-helixtrans-64.4-43.7176.2-68.3-176.2000112.6F402 A403 G408 L409 Y410F402-L406 HydrophobicContact CD1-CD1 3.95Å; F402-L406 HydrophobicContact CD1-CG 4.4Å; F402-L406 HydrophobicContact CE1-CD1 3.47Å; F402-L406 VanDerWaalsContact CE1-CD1 3.47Å; F402-L406 HydrophobicContact CE1-CG 4.09Å; F402-L406 HydrophobicContact CZ-CD1 4.02Å; F402-L406 HydrophobicContact CZ-CD2 4.33Å; F402-L406 HydrophobicContact CZ-CG 4.28Å; F402-L406 WeakPolarHBondContact O-CG 3.36Å; F402-L406 PolarHBondContact O-N 3.01Å; F402-L406 VanDerWaalsContact O-N 3.08Å; A403-L406 PolarHBondContact O-N 3.21Å; L406-G408 VanDerWaalsContact C-N 3.34Å; L406-L409 PolarHBondContact O-N 3.18Å; L406-Y410 WeakPolarHBondContact O-CB 3.25Å; L406-Y410 PolarHBondContact O-N 3.04Å
407I89.4Confident86Confident29 Ų2977.4 Ų77.415%0.14940%0.403CS..Hα-helixtrans-66.9-37.2176.7-166.466.7000111L383 F386 A403 S404 Y410 V411L383-I407 HydrophobicContact CD2-CG1 4.46Å; F386-I407 HydrophobicContact CB-CG1 4.4Å; F386-I407 HydrophobicContact CD1-CG2 4.42Å; F386-I407 HydrophobicContact CD2-CB 4.35Å; F386-I407 HydrophobicContact CD2-CG2 4.02Å; F386-I407 HydrophobicContact CE1-CG2 4.47Å; F386-I407 HydrophobicContact CE2-CG2 4.1Å; F386-I407 HydrophobicContact CG-CB 4.48Å; F386-I407 HydrophobicContact CG-CG1 4.48Å; F386-I407 HydrophobicContact CG-CG2 4.19Å; F386-I407 HydrophobicContact CZ-CG2 4.33Å; A403-I407 WeakPolarHBondContact O-CG2 3.43Å; A403-I407 PolarHBondContact O-N 3.29Å; S404-I407 WeakPolarHBondContact O-CG2 3.5Å; I407-Y410 HydrophobicContact CD1-CD1 4.14Å; I407-Y410 PolarHBondContact O-N 3.25Å; I407-V411 HydrophobicContact CG1-CG2 4.38Å; I407-V411 WeakPolarHBondContact O-CB 3.15Å; I407-V411 VanDerWaalsContact O-CG2 3.26Å; I407-V411 WeakPolarHBondContact O-CG2 3.48Å; I407-V411 PolarHBondContact O-N 3.1Å
408G87.3Confident85.5Confident40 Ų4074.7 Ų74.741%0.41238%0.383SS..Hα-helixtrans-59.6-46.9174.600000112.9S404 L405 L406 Y410 V411 Y412S404-G408 PolarHBondContact O-N 3.49Å; L405-G408 PolarHBondContact O-N 3.28Å; L406-G408 VanDerWaalsContact C-N 3.34Å; G408-Y410 PolarHBondContact O-N 3.01Å; G408-V411 PolarHBondContact O-N 3.25Å; G408-Y412 PolarHBondContact O-N 3.16Å
409L90.2Very high84.7Confident103 Ų10370.8 Ų70.854%0.53937%0.37SS..Hα-helixtrans-62.8-41.1174.9-71.8171000112.2L405 L406 Y412 F413L405-L409 HydrophobicContact CD2-CD1 3.82Å; L405-L409 WeakPolarHBondContact O-CG 3.28Å; L405-L409 PolarHBondContact O-N 3.26Å; L406-L409 PolarHBondContact O-N 3.18Å; L409-Y412 PolarHBondContact O-N 2.91Å; L409-F413 PolarHBondContact O-N 2.91Å
410Y86.4Confident84Confident73 Ų7375 Ų7529%0.28638%0.381SS..Hα-helixtrans-62.5-44.3175.8178.3-100.5000112S382 L406 I407 G408 F413 Q414S382-Y410 VanDerWaalsContact OG-CE1 3.3Å; S382-Y410 WeakPolarHBondContact OG-CE1 3.05Å; L406-Y410 WeakPolarHBondContact O-CB 3.25Å; L406-Y410 PolarHBondContact O-N 3.04Å; I407-Y410 HydrophobicContact CD1-CD1 4.14Å; I407-Y410 PolarHBondContact O-N 3.25Å; G408-Y410 PolarHBondContact O-N 3.01Å; Y410-F413 PolarHBondContact O-N 3.44Å; Y410-Q414 HydrophobicContact CD1-CG 4.2Å; Y410-Q414 HydrophobicContact CE1-CG 3.75Å; Y410-Q414 HydrophobicContact CE2-CG 4.1Å; Y410-Q414 WeakPolarHBondContact O-CB 2.93Å; Y410-Q414 WeakPolarHBondContact O-CG 3.2Å; Y410-Q414 PolarHBondContact O-N 3.1Å; Y410-Q414 PolarHBondContact OH-NE2 3.15Å
411V85.2Confident82.9Confident42 Ų4274.1 Ų74.126%0.25538%0.378SS..Hα-helixtrans-62.8-43.5177.2167.40000111Y379 I407 G408 Q414 S415Y379-V411 HydrophobicContact CD2-CG2 4.25Å; Y379-V411 HydrophobicContact CE2-CB 4.34Å; Y379-V411 HydrophobicContact CE2-CG1 3.91Å; Y379-V411 HydrophobicContact CE2-CG2 3.72Å; I407-V411 HydrophobicContact CG1-CG2 4.38Å; I407-V411 WeakPolarHBondContact O-CB 3.15Å; I407-V411 VanDerWaalsContact O-CG2 3.26Å; I407-V411 WeakPolarHBondContact O-CG2 3.48Å; I407-V411 PolarHBondContact O-N 3.1Å; G408-V411 PolarHBondContact O-N 3.25Å; V411-Q414 PolarHBondContact O-N 2.9Å; V411-S415 PolarHBondContact O-N 2.72Å; V411-S415 PolarHBondContact O-OG 3.39Å
412Y84Confident81.5Confident155 Ų15572.3 Ų72.361%0.60837%0.366SS*.Hα-helixtrans-60.6-45175.5175.7-105000112.3G408 L409 Q414 S415 I416G408-Y412 PolarHBondContact O-N 3.16Å; L409-Y412 PolarHBondContact O-N 2.91Å; Y412-Q414 VanDerWaalsContact C-N 3.31Å; Y412-Q414 PolarHBondContact O-N 2.87Å; Y412-S415 WeakPolarHBondContact CA-OG 3.49Å; Y412-S415 PolarHBondContact O-N 2.85Å; Y412-S415 PolarHBondContact O-OG 3.24Å; Y412-I416 HydrophobicContact CD1-CD1 4.14Å; Y412-I416 HydrophobicContact CE1-CD1 3.59Å; Y412-I416 HydrophobicContact CE2-CD1 4.39Å; Y412-I416 PolarHBondContact O-N 3.31Å
413F82.8Confident80.1Confident125 Ų12570 Ų7055%0.54836%0.364SS..Hα-helixtrans-63-40175.6-171.8-101.7000111.7L409 Y410 I416 N417L409-F413 PolarHBondContact O-N 2.91Å; Y410-F413 PolarHBondContact O-N 3.44Å; F413-I416 PolarHBondContact O-N 3.13Å; F413-N417 WeakPolarHBondContact CD1-ND2 3.39Å; F413-N417 WeakPolarHBondContact CE1-ND2 3.48Å; F413-N417 PolarHBondContact O-N 3.15Å; F413-N417 VanDerWaalsContact O-N 3.11Å; F413-N417 PolarHBondContact O-ND2 3.05Å
414Q80.4Confident78.7Confident7 Ų773.3 Ų73.33%0.03338%0.378CS..Hα-helixtrans-67.9-35.3176.2-72-67.628.100112.9E375 Y410 V411 Y412 I416 N417 F418E375-Q414 PolarHBondContact OE2-NE2 3.17Å; E375-Q414 PolarHBondContact OE2-OE1 3.24Å; Y410-Q414 HydrophobicContact CD1-CG 4.2Å; Y410-Q414 HydrophobicContact CE1-CG 3.75Å; Y410-Q414 HydrophobicContact CE2-CG 4.1Å; Y410-Q414 WeakPolarHBondContact O-CB 2.93Å; Y410-Q414 WeakPolarHBondContact O-CG 3.2Å; Y410-Q414 PolarHBondContact O-N 3.1Å; Y410-Q414 PolarHBondContact OH-NE2 3.15Å; V411-Q414 PolarHBondContact O-N 2.9Å; Y412-Q414 VanDerWaalsContact C-N 3.31Å; Y412-Q414 PolarHBondContact O-N 2.87Å; Q414-I416 VanDerWaalsContact C-N 3.31Å; Q414-I416 PolarHBondContact O-N 2.81Å; Q414-N417 PolarHBondContact O-N 3.34Å; Q414-N417 PolarHBondContact OE1-ND2 3.03Å; Q414-N417 VanDerWaalsContact OE1-ND2 3.09Å; Q414-F418 HydrophobicContact CB-CE2 4.47Å; Q414-F418 WeakPolarHBondContact O-CD2 3.08Å; Q414-F418 PolarHBondContact O-N 3.44Å
415S78Confident76.9Confident47 Ų4778 Ų7833%0.32940%0.396SS..Hα-helixtrans-61.8-39.6173.652.40000112V411 Y412 N417 F418 D419V411-S415 PolarHBondContact O-N 2.72Å; V411-S415 PolarHBondContact O-OG 3.39Å; Y412-S415 WeakPolarHBondContact CA-OG 3.49Å; Y412-S415 PolarHBondContact O-N 2.85Å; Y412-S415 PolarHBondContact O-OG 3.24Å; S415-N417 VanDerWaalsContact C-N 3.33Å; S415-N417 PolarHBondContact O-N 2.63Å; S415-F418 PolarHBondContact O-N 2.65Å; S415-D419 WeakPolarHBondContact O-CB 3.05Å; S415-D419 PolarHBondContact O-N 2.97Å
416I79.3Confident74.3Confident74 Ų7483.6 Ų83.638%0.37942%0.415SS..Hα-helixtrans-62.9-41.6174.6-65167.5000110.7Y412 F413 Q414 D419 F420Y412-I416 HydrophobicContact CD1-CD1 4.14Å; Y412-I416 HydrophobicContact CE1-CD1 3.59Å; Y412-I416 HydrophobicContact CE2-CD1 4.39Å; Y412-I416 PolarHBondContact O-N 3.31Å; F413-I416 PolarHBondContact O-N 3.13Å; Q414-I416 VanDerWaalsContact C-N 3.31Å; Q414-I416 PolarHBondContact O-N 2.81Å; I416-D419 PolarHBondContact O-N 3.47Å; I416-F420 WeakPolarHBondContact O-CB 3.27Å; I416-F420 PolarHBondContact O-N 3.05Å
417N77.9Confident73.5Confident51 Ų5183.3 Ų83.327%0.27341%0.412SS..Hα-helixtrans-65.2-41.4176.7-66.8-32.3000111.8F413 Q414 S415 F420 V421F413-N417 WeakPolarHBondContact CD1-ND2 3.39Å; F413-N417 WeakPolarHBondContact CE1-ND2 3.48Å; F413-N417 PolarHBondContact O-N 3.15Å; F413-N417 VanDerWaalsContact O-N 3.11Å; F413-N417 PolarHBondContact O-ND2 3.05Å; Q414-N417 PolarHBondContact O-N 3.34Å; Q414-N417 PolarHBondContact OE1-ND2 3.03Å; Q414-N417 VanDerWaalsContact OE1-ND2 3.09Å; S415-N417 VanDerWaalsContact C-N 3.33Å; S415-N417 PolarHBondContact O-N 2.63Å; N417-F420 PolarHBondContact O-N 3.14Å; N417-V421 VanDerWaalsContact O-CG2 3.28Å; N417-V421 WeakPolarHBondContact O-CG2 3.04Å; N417-V421 PolarHBondContact O-N 2.81Å
418F76Confident72.6Confident28 Ų2886.2 Ų86.212%0.12343%0.426CS..Hα-helixtrans-62.6-45.7174.3-81.2-64.3000111.2Y372 E375 F376 Q414 S415 F420 V421 F422Y372-F418 AromaticContact CD2-CD1 3.75Å; Y372-F418 HydrophobicContact CD2-CD1 3.75Å; Y372-F418 AromaticContact CD2-CE1 3.62Å; Y372-F418 HydrophobicContact CD2-CE1 3.62Å; Y372-F418 AromaticContact CE2-CD1 3.6Å; Y372-F418 HydrophobicContact CE2-CD1 3.6Å; Y372-F418 AromaticContact CE2-CE1 3.55Å; Y372-F418 HydrophobicContact CE2-CE1 3.55Å; Y372-F418 HydrophobicContact CG-CE1 4.34Å; E375-F418 HydrophobicContact CB-CE1 3.92Å; E375-F418 HydrophobicContact CB-CE2 4.4Å; E375-F418 HydrophobicContact CB-CZ 3.71Å; F376-F418 HydrophobicContact CB-CZ 4.24Å; Q414-F418 HydrophobicContact CB-CE2 4.47Å; Q414-F418 WeakPolarHBondContact O-CD2 3.08Å; Q414-F418 PolarHBondContact O-N 3.44Å; S415-F418 PolarHBondContact O-N 2.65Å; F418-F420 VanDerWaalsContact C-N 3.32Å; F418-F420 PolarHBondContact O-N 2.86Å; F418-V421 CarbonylContact O-C 3.49Å; F418-V421 WeakPolarHBondContact O-CA 3.07Å; F418-V421 WeakPolarHBondContact O-CB 3.21Å; F418-V421 PolarHBondContact O-N 3.39Å; F418-V421 VanDerWaalsContact O-N 3.09Å; F418-F422 HydrophobicContact CB-CD2 4.46Å; F418-F422 WeakPolarHBondContact O-CD2 2.97Å; F418-F422 PolarHBondContact O-N 3.23Å
419D71.4Confident71.8Confident99 Ų9988.7 Ų88.753%0.52943%0.427SS..Hα-helixtrans-59.1-43.6176.2-76.7-20.8000111.2S415 I416 V421 F422 T423S415-D419 WeakPolarHBondContact O-CB 3.05Å; S415-D419 PolarHBondContact O-N 2.97Å; I416-D419 PolarHBondContact O-N 3.47Å; D419-V421 VanDerWaalsContact C-N 3.31Å; D419-V421 PolarHBondContact O-N 3.2Å; D419-F422 CarbonylContact O-C 3.6Å; D419-F422 PolarHBondContact O-N 3.45Å; D419-F422 VanDerWaalsContact O-N 3.12Å; D419-T423 WeakPolarHBondContact O-CG2 3.49Å; D419-T423 PolarHBondContact O-N 2.04Å; D419-T423 PolarHBondContact O-OG1 3.46Å
420F69.3Low70.8Confident129 Ų12987.9 Ų87.957%0.56642%0.421SS*.Hα-helixtrans-60.7-39.6174.3-179.9-98.6000112.5I416 N417 F418 T423 N424I416-F420 WeakPolarHBondContact O-CB 3.27Å; I416-F420 PolarHBondContact O-N 3.05Å; N417-F420 PolarHBondContact O-N 3.14Å; F418-F420 VanDerWaalsContact C-N 3.32Å; F418-F420 PolarHBondContact O-N 2.86Å; F420-T423 WeakPolarHBondContact CA-OG1 3.35Å; F420-T423 PolarHBondContact O-OG1 3.46Å; F420-N424 WeakPolarHBondContact CE1-ND2 3.11Å; F420-N424 WeakPolarHBondContact CZ-ND2 3.27Å; F420-N424 PolarHBondContact O-N 3.29Å; F420-N424 PolarHBondContact O-ND2 3.23Å; F420-N424 VanDerWaalsContact O-ND2 3.09Å
421V65.4Low69.8Low25 Ų2588.8 Ų88.815%0.15243%0.429CS..Hα-helixtrans-65.6-39.3173.9171.20000110.9W368 N417 F418 D419W368-V421 HydrophobicContact CE3-CG1 4.18Å; W368-V421 HydrophobicContact CZ3-CG1 4.2Å; N417-V421 VanDerWaalsContact O-CG2 3.28Å; N417-V421 WeakPolarHBondContact O-CG2 3.04Å; N417-V421 PolarHBondContact O-N 2.81Å; F418-V421 CarbonylContact O-C 3.49Å; F418-V421 WeakPolarHBondContact O-CA 3.07Å; F418-V421 WeakPolarHBondContact O-CB 3.21Å; F418-V421 PolarHBondContact O-N 3.39Å; F418-V421 VanDerWaalsContact O-N 3.09Å; D419-V421 VanDerWaalsContact C-N 3.31Å; D419-V421 PolarHBondContact O-N 3.2Å
422F59.4Low68.7Low96 Ų9691.9 Ų91.942%0.42144%0.441SS..Hα-helixtrans-71.7-39.2177.3-82.8-68000113.4Y372 F418 D419 N424 Q425Y372-F422 HydrophobicContact CE2-CE2 4.04Å; Y372-F422 AromaticContact CE2-CZ 3.9Å; Y372-F422 HydrophobicContact CE2-CZ 3.9Å; F418-F422 HydrophobicContact CB-CD2 4.46Å; F418-F422 WeakPolarHBondContact O-CD2 2.97Å; F418-F422 PolarHBondContact O-N 3.23Å; D419-F422 CarbonylContact O-C 3.6Å; D419-F422 PolarHBondContact O-N 3.45Å; D419-F422 VanDerWaalsContact O-N 3.12Å; F422-N424 PolarHBondContact O-N 3.3Å; F422-Q425 VanDerWaalsContact O-CB 3.31Å; F422-Q425 WeakPolarHBondContact O-CB 3.14Å; F422-Q425 PolarHBondContact O-N 2.8Å
423T59.2Low67.7Low86 Ų8687.4 Ų87.453%0.52843%0.429SS..Hα-helixtrans-64.5-31178.1490000111.8D419 F420 Q425 K426D419-T423 WeakPolarHBondContact O-CG2 3.49Å; D419-T423 PolarHBondContact O-N 2.04Å; D419-T423 PolarHBondContact O-OG1 3.46Å; F420-T423 WeakPolarHBondContact CA-OG1 3.35Å; F420-T423 PolarHBondContact O-OG1 3.46Å; T423-Q425 PolarHBondContact O-N 2.52Å; T423-K426 PolarHBondContact O-N 2.69Å
424N59.2Low66.5Low86 Ų8684.5 Ų84.546%0.4642%0.419SS..THydrogen-bonded Turntrans-78.5-0.6173.8-69.7-34.7000113.6W368 F420 F422W368-N424 HydrophobicContact CH2-CB 4.49Å; F420-N424 WeakPolarHBondContact CE1-ND2 3.11Å; F420-N424 WeakPolarHBondContact CZ-ND2 3.27Å; F420-N424 PolarHBondContact O-N 3.29Å; F420-N424 PolarHBondContact O-ND2 3.23Å; F420-N424 VanDerWaalsContact O-ND2 3.09Å; F422-N424 PolarHBondContact O-N 3.3Å
425Q51.5Low65.3Low145 Ų14591 Ų9168%0.67845%0.452SS*.THydrogen-bonded Turntrans-87.2-26.2168.7-68.3-147.5-44.500113.8F422 T423F422-Q425 VanDerWaalsContact O-CB 3.31Å; F422-Q425 WeakPolarHBondContact O-CB 3.14Å; F422-Q425 PolarHBondContact O-N 2.8Å; T423-Q425 PolarHBondContact O-N 2.52Å
426K37.5Very low64.2Low226 Ų22695 Ų9598%0.98346%0.463SS*.  trans-82.10172.8-68.4-178.7-179.2175.20109.3T423T423-K426 PolarHBondContact O-N 2.69Å

Retrieved 426 of 426 residues in 398.6 ms (Link to these results)

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