A0A087WS64_MOUSE Loading...

Zinc finger protein 658

AlphaFold DB , UniProt , Accession A0A087WS64, Species MOUSE (Mus musculus, Mouse), Gene Zfp658, Length 360 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
1M34Very low51.9Low243 Ų243115.5 Ų115.5100%1.19766%0.663SS**  0960-76.9177.9-82.500108S3M1-S3 PolarHBondContact O-N 3.11Å
2A37.3Very low53.4Low103 Ų103114.5 Ų114.585%0.85165%0.654SS**  trans-89.295170.900000107.5C4A2-C4 PolarHBondContact O-N 3.01Å; A2-C4 VanDerWaalsContact O-N 3.1Å
3S38.6Very low54.8Low102 Ų102109.9 Ų109.971%0.71363%0.629SS**  trans-71.397.5168.158.90000107.9M1 Q5M1-S3 PolarHBondContact O-N 3.11Å; S3-Q5 PolarHBondContact O-N 3.24Å
4C38.8Very low56.2Low125 Ų125103.5 Ų103.585%0.84560%0.596SS**  trans-68.986.6161.7-85.30000107.8A2 V6A2-C4 PolarHBondContact O-N 3.01Å; A2-C4 VanDerWaalsContact O-N 3.1Å; C4-V6 PolarHBondContact O-N 3.27Å
5Q41.9Very low57.4Low169 Ų169103.5 Ų103.579%0.7959%0.592SS**  trans-59.2118.8152.4-83.1172.8-24.400105.8S3 L7S3-Q5 PolarHBondContact O-N 3.24Å; Q5-L7 PolarHBondContact O-N 3Å
6V51.5Low58.4Low131 Ų131105.3 Ų105.379%0.79459%0.594SS**  trans-61.5109.7163.8177.80000104.8C4 L8C4-V6 PolarHBondContact O-N 3.27Å; V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 2.89Å
7L57.4Low58.9Low132 Ų132103.6 Ų103.669%0.69158%0.579SS**  trans-60.899.5172.9-97150.7000106.9Q5 T9Q5-L7 PolarHBondContact O-N 3Å; L7-T9 PolarHBondContact O-N 3.49Å
8L60.6Low59.5Low94 Ų94100.5 Ų100.549%0.49257%0.565SS.*  trans-62123.4166.8-88.2152.9000107.1V6 D12 V49V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 2.89Å; L8-D12 HydrophobicContact CD2-CB 4.24Å; L8-V49 VanDerWaalsContact O-CG1 3.25Å; L8-V49 WeakPolarHBondContact O-CG1 3.49Å
9T69.6Low59.9Low63 Ų6398.9 Ų98.939%0.38755%0.551SS.*  trans-103.216217466.60000109.6L7 M11 D12L7-T9 PolarHBondContact O-N 3.49Å; T9-M11 PolarHBondContact O-N 3.29Å; T9-D12 PolarHBondContact N-OD2 3.48Å; T9-D12 WeakPolarHBondContact O-CB 3.43Å; T9-D12 PolarHBondContact O-N 3.49Å; T9-D12 VanDerWaalsContact O-N 3.08Å; T9-D12 PolarHBondContact OG1-OD2 3.09Å
10F70.9Confident60.3Low8 Ų8100.5 Ų100.54%0.03555%0.554CS.*Hα-helixtrans-55.7-35.9171.4180-108.7000112D12 V13 A14 M37 N40 Y41 L44 V51 I57F10-D12 PolarHBondContact O-N 2.75Å; F10-V13 HydrophobicContact CD2-CG2 4.33Å; F10-V13 CarbonylContact O-C 3.44Å; F10-V13 VanDerWaalsContact O-CG2 3.25Å; F10-V13 WeakPolarHBondContact O-CG2 3.08Å; F10-V13 PolarHBondContact O-N 3.47Å; F10-A14 HydrophobicContact CD1-CB 3.9Å; F10-A14 HydrophobicContact CE1-CB 3.67Å; F10-A14 HydrophobicContact CG-CB 4.49Å; F10-A14 HydrophobicContact CZ-CB 4.06Å; F10-A14 VanDerWaalsContact O-CB 3.24Å; F10-A14 WeakPolarHBondContact O-CB 3.3Å; F10-A14 PolarHBondContact O-N 2.89Å; F10-M37 HydrophobicContact CE1-CE 3.79Å; F10-M37 HydrophobicContact CE2-CE 4.43Å; F10-M37 HydrophobicContact CZ-CE 3.39Å; F10-M37 HydrophobicContact CZ-SD 4.2Å; F10-N40 HydrophobicContact CE2-CB 4.47Å; F10-Y41 HydrophobicContact CD2-CD2 4.38Å; F10-L44 HydrophobicContact CB-CD1 4.08Å; F10-L44 HydrophobicContact CD2-CD1 4.1Å; F10-V51 HydrophobicContact CB-CG1 3.67Å; F10-I57 HydrophobicContact CE1-CD1 4.13Å; F10-I57 HydrophobicContact CE1-CG1 3.95Å; F10-I57 HydrophobicContact CE2-CD1 3.8Å; F10-I57 HydrophobicContact CE2-CG1 4.17Å; F10-I57 HydrophobicContact CZ-CD1 3.4Å; F10-I57 VanDerWaalsContact CZ-CD1 3.4Å; F10-I57 HydrophobicContact CZ-CG1 3.71Å
11M70.3Confident60.8Low101 Ų10199.8 Ų99.850%0.49855%0.547SS..Hα-helixtrans-63.8-21.4179-60.5-52.3-176.400113.8T9 V13 A14T9-M11 PolarHBondContact O-N 3.29Å; M11-V13 VanDerWaalsContact C-N 3.29Å; M11-V13 PolarHBondContact O-N 3.09Å; M11-A14 HydrophobicContact SD-CB 4.37Å
12D70.2Confident62.8Low103 Ų10388.6 Ų88.655%0.55149%0.491SS*.Hα-helixtrans-73.5-22.8175.1-64.9-61.9000113L8 T9 F10L8-D12 HydrophobicContact CD2-CB 4.24Å; T9-D12 PolarHBondContact N-OD2 3.48Å; T9-D12 WeakPolarHBondContact O-CB 3.43Å; T9-D12 PolarHBondContact O-N 3.49Å; T9-D12 VanDerWaalsContact O-N 3.08Å; T9-D12 PolarHBondContact OG1-OD2 3.09Å; F10-D12 PolarHBondContact O-N 2.75Å
13V71.8Confident64.7Low55 Ų5589.3 Ų89.333%0.33348%0.477SS..Hα-helixtrans-115.9-12.7-179.2-62.30000113.3F10 M11 N40 L44F10-V13 HydrophobicContact CD2-CG2 4.33Å; F10-V13 CarbonylContact O-C 3.44Å; F10-V13 VanDerWaalsContact O-CG2 3.25Å; F10-V13 WeakPolarHBondContact O-CG2 3.08Å; F10-V13 PolarHBondContact O-N 3.47Å; M11-V13 VanDerWaalsContact C-N 3.29Å; M11-V13 PolarHBondContact O-N 3.09Å; V13-N40 HydrophobicContact CG2-CB 4.23Å; V13-L44 HydrophobicContact CG2-CD1 3.72Å
14A73.8Confident66.5Low20 Ų2089.6 Ų89.617%0.16548%0.478CS..  trans-68.8142177.900000111.6F10 M11 M37F10-A14 HydrophobicContact CD1-CB 3.9Å; F10-A14 HydrophobicContact CE1-CB 3.67Å; F10-A14 HydrophobicContact CG-CB 4.49Å; F10-A14 HydrophobicContact CZ-CB 4.06Å; F10-A14 VanDerWaalsContact O-CB 3.24Å; F10-A14 WeakPolarHBondContact O-CB 3.3Å; F10-A14 PolarHBondContact O-N 2.89Å; M11-A14 HydrophobicContact SD-CB 4.37Å; A14-M37 HydrophobicContact CB-CE 3.71Å; A14-M37 HydrophobicContact CB-SD 4.44Å
15L74.8Confident68.3Low103 Ų10384.9 Ų84.954%0.53944%0.444SS..  trans-106120.7164.6-72.6169.9000107.4Y33 M37L15-Y33 HydrophobicContact CB-CE2 4.09Å; L15-Y33 WeakPolarHBondContact O-CE2 3.14Å; L15-Y33 VanDerWaalsContact O-CZ 3.29Å; L15-Y33 PolarHBondContact O-OH 3.5Å; L15-M37 PolarHBondContact N-SD 3.4Å; L15-M37 VanDerWaalsContact N-SD 3.45Å; L15-M37 WeakPolarHBondContact O-CE 3.48Å
16E73.1Confident69.9Low132 Ų13280.8 Ų80.862%0.61743%0.427SS*.  trans-101138.1174-67.2177172.300108.9
17F67.1Low71Confident78 Ų7879.4 Ų79.434%0.34242%0.424SS..  trans-110.6138.6173.3-75-71000109E21 W22 L25 Y33F17-E21 HydrophobicContact CB-CB 4.34Å; F17-E21 HydrophobicContact CD1-CB 3.69Å; F17-E21 HydrophobicContact CG-CB 4.5Å; F17-W22 HydrophobicContact CB-CB 4.3Å; F17-W22 HydrophobicContact CB-CE3 4Å; F17-W22 AromaticContact CD2-CE3 3.6Å; F17-W22 HydrophobicContact CD2-CE3 3.6Å; F17-W22 AromaticContact CD2-CZ3 3.86Å; F17-W22 HydrophobicContact CD2-CZ3 3.86Å; F17-W22 HydrophobicContact CE2-CE3 4.37Å; F17-W22 HydrophobicContact CE2-CZ3 4.42Å; F17-W22 HydrophobicContact CG-CE3 4.06Å; F17-L25 HydrophobicContact CD1-CD1 4.47Å; F17-L25 HydrophobicContact CD2-CD1 4.01Å; F17-L25 HydrophobicContact CE1-CD1 4.17Å; F17-L25 HydrophobicContact CE1-CD2 4.27Å; F17-L25 HydrophobicContact CE2-CD1 3.66Å; F17-L25 HydrophobicContact CG-CD1 4.38Å; F17-L25 HydrophobicContact CZ-CD1 3.75Å; F17-L25 HydrophobicContact CZ-CD2 4.14Å; F17-Y33 AromaticContact CD2-CD2 3.84Å; F17-Y33 HydrophobicContact CD2-CD2 3.84Å; F17-Y33 AromaticContact CD2-CE2 3.6Å; F17-Y33 HydrophobicContact CD2-CE2 3.6Å; F17-Y33 HydrophobicContact CD2-CG 4.44Å; F17-Y33 AromaticContact CE2-CD2 3.35Å; F17-Y33 HydrophobicContact CE2-CD2 3.35Å; F17-Y33 AromaticContact CE2-CE2 3.56Å; F17-Y33 HydrophobicContact CE2-CE2 3.56Å; F17-Y33 HydrophobicContact CE2-CG 4.03Å; F17-Y33 HydrophobicContact CZ-CD2 4.48Å
18S69.6Low71.7Confident47 Ų4776.5 Ų76.533%0.32942%0.419SS..  trans-68.2163.6160.156.20000111E20 E21 W22S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 WeakPolarHBondContact CB-OE2 3.49Å; S18-E20 PolarHBondContact O-N 3.36Å; S18-E21 PolarHBondContact N-OE2 3.16Å; S18-E21 PolarHBondContact O-N 2.93Å; S18-E21 WeakPolarHBondContact OG-CB 3.43Å; S18-E21 WeakPolarHBondContact OG-CG 3.12Å; S18-E21 PolarHBondContact OG-N 3.17Å; S18-E21 PolarHBondContact OG-OE2 3.08Å; S18-W22 PolarHBondContact O-N 3.19Å
19K67.2Low72.5Confident70 Ų7076.2 Ų76.230%0.30442%0.415SS..Hα-helixtrans-55.2-45176.6-178.8170.4-171.9174.90110.7E21 W22 E23 W67 D70K19-E21 PolarHBondContact O-N 3.48Å; K19-W22 PolarHBondContact O-N 3Å; K19-E23 WeakPolarHBondContact O-CG 3.35Å; K19-E23 PolarHBondContact O-N 3.31Å; K19-W67 HydrophobicContact CB-CG 4.45Å; K19-W67 HydrophobicContact CG-CG 4.39Å; K19-D70 IonicContact NZ-OD1 2.59Å; K19-D70 PolarHBondContact NZ-OD1 2.8Å; K19-D70 IonicContact NZ-OD2 2.67Å; K19-D70 PolarHBondContact NZ-OD2 3.43Å; K19-D70 VanDerWaalsContact NZ-OD2 3.08Å
20E67Low73.1Confident130 Ų13076.8 Ų76.861%0.60741%0.41SS*.Hα-helixtrans-65.7-39.5-179.7-57.779.9-174.200112.2S18 C24S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 WeakPolarHBondContact CB-OE2 3.49Å; S18-E20 PolarHBondContact O-N 3.36Å; E20-C24 PolarHBondContact O-N 2.81Å; E20-C24 PolarHBondContact O-SG 3.06Å
21E71.1Confident73.4Confident86 Ų8678.7 Ų78.740%0.40243%0.427SS..Hα-helixtrans-69.8-35.9176.9-70.8167137.700111.9F17 S18 K19 C24F17-E21 HydrophobicContact CB-CB 4.34Å; F17-E21 HydrophobicContact CD1-CB 3.69Å; F17-E21 HydrophobicContact CG-CB 4.5Å; S18-E21 PolarHBondContact N-OE2 3.16Å; S18-E21 PolarHBondContact O-N 2.93Å; S18-E21 WeakPolarHBondContact OG-CB 3.43Å; S18-E21 WeakPolarHBondContact OG-CG 3.12Å; S18-E21 PolarHBondContact OG-N 3.17Å; S18-E21 PolarHBondContact OG-OE2 3.08Å; K19-E21 PolarHBondContact O-N 3.48Å; E21-C24 WeakPolarHBondContact O-CB 3.43Å; E21-C24 PolarHBondContact O-N 2.78Å
22W76.3Confident73.8Confident8 Ų879 Ų793%0.0343%0.43CS..Hα-helixtrans-71.2-39.9178.1-170.2-77.8000112.8F17 S18 K19 C24 L25 R30 Y33 P66 W67F17-W22 HydrophobicContact CB-CB 4.3Å; F17-W22 HydrophobicContact CB-CE3 4Å; F17-W22 AromaticContact CD2-CE3 3.6Å; F17-W22 HydrophobicContact CD2-CE3 3.6Å; F17-W22 AromaticContact CD2-CZ3 3.86Å; F17-W22 HydrophobicContact CD2-CZ3 3.86Å; F17-W22 HydrophobicContact CE2-CE3 4.37Å; F17-W22 HydrophobicContact CE2-CZ3 4.42Å; F17-W22 HydrophobicContact CG-CE3 4.06Å; S18-W22 PolarHBondContact O-N 3.19Å; K19-W22 PolarHBondContact O-N 3Å; W22-C24 PolarHBondContact O-N 3.3Å; W22-C24 VanDerWaalsContact O-N 3.16Å; W22-L25 HydrophobicContact CD2-CD1 3.95Å; W22-L25 HydrophobicContact CE3-CD1 3.76Å; W22-L25 HydrophobicContact CG-CD1 4.37Å; W22-L25 HydrophobicContact CZ3-CD1 4.26Å; W22-L25 WeakPolarHBondContact O-CB 3.5Å; W22-L25 PolarHBondContact O-N 3.49Å; W22-R30 HydrophobicContact CZ2-CB 3.94Å; W22-R30 HydrophobicContact CZ2-CG 3.75Å; W22-R30 VanDerWaalsContact NE1-CD 3.29Å; W22-R30 VanDerWaalsContact NE1-NE 3.16Å; W22-R30 PolarHBondContact O-NH2 2.87Å; W22-R30 VanDerWaalsContact O-NH2 3.14Å; W22-Y33 AromaticContact CH2-CD1 3.36Å; W22-Y33 HydrophobicContact CH2-CD1 3.36Å; W22-Y33 AromaticContact CH2-CE1 3.71Å; W22-Y33 HydrophobicContact CH2-CE1 3.71Å; W22-Y33 HydrophobicContact CH2-CG 4.14Å; W22-Y33 AromaticContact CZ3-CD1 3.27Å; W22-Y33 HydrophobicContact CZ3-CD1 3.27Å; W22-Y33 HydrophobicContact CZ3-CD2 4.43Å; W22-Y33 AromaticContact CZ3-CE1 3.36Å; W22-Y33 HydrophobicContact CZ3-CE1 3.36Å; W22-Y33 HydrophobicContact CZ3-CE2 4.47Å; W22-Y33 AromaticContact CZ3-CG 3.8Å; W22-Y33 HydrophobicContact CZ3-CG 3.8Å; W22-Y33 AromaticContact CZ3-CZ 3.96Å; W22-P66 HydrophobicContact CH2-CG 4.38Å; W22-W67 HydrophobicContact CB-CE3 3.97Å; W22-W67 HydrophobicContact CB-CH2 4.11Å; W22-W67 HydrophobicContact CB-CZ2 4.44Å; W22-W67 HydrophobicContact CB-CZ3 3.79Å; W22-W67 AromaticContact CD1-CH2 2.74Å; W22-W67 AromaticContact CD1-CZ2 3.45Å; W22-W67 VanDerWaalsContact CD1-CZ2 3.45Å; W22-W67 AromaticContact CD1-CZ3 3.06Å; W22-W67 HydrophobicContact CD2-CE3 4Å; W22-W67 AromaticContact CD2-CH2 3.79Å; W22-W67 HydrophobicContact CD2-CH2 3.79Å; W22-W67 AromaticContact CD2-CZ3 3.2Å; W22-W67 HydrophobicContact CD2-CZ3 3.2Å; W22-W67 AromaticContact CE2-CH2 3.5Å; W22-W67 AromaticContact CE2-CZ3 3.19Å; W22-W67 HydrophobicContact CE3-CZ3 4.05Å; W22-W67 AromaticContact CG-CE3 3.72Å; W22-W67 HydrophobicContact CG-CE3 3.72Å; W22-W67 AromaticContact CG-CH2 3.3Å; W22-W67 HydrophobicContact CG-CH2 3.3Å; W22-W67 HydrophobicContact CG-CZ2 4.02Å; W22-W67 AromaticContact CG-CZ3 3.05Å; W22-W67 HydrophobicContact CG-CZ3 3.05Å; W22-W67 HydrophobicContact CZ2-CH2 4.39Å; W22-W67 AromaticContact CZ2-CZ3 3.93Å; W22-W67 HydrophobicContact CZ2-CZ3 3.93Å; W22-W67 AromaticContact NE1-CH2 2.86Å; W22-W67 AromaticContact NE1-CZ2 3.94Å; W22-W67 AromaticContact NE1-CZ3 3.12Å
23E76.5Confident74.4Confident119 Ų11975.1 Ų75.156%0.55641%0.408SS*.Hα-helixtrans-58.4-26.4174.1-76177.1-175.800112K19 L25K19-E23 WeakPolarHBondContact O-CG 3.35Å; K19-E23 PolarHBondContact O-N 3.31Å; E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 3.31Å
24C78.2Confident74.8Confident107 Ų10775.9 Ų75.972%0.72341%0.405SS*.THydrogen-bonded Turntrans-77.1-9.6174-65.40000114.7E20 E21 W22E20-C24 PolarHBondContact O-N 2.81Å; E20-C24 PolarHBondContact O-SG 3.06Å; E21-C24 WeakPolarHBondContact O-CB 3.43Å; E21-C24 PolarHBondContact O-N 2.78Å; W22-C24 PolarHBondContact O-N 3.3Å; W22-C24 VanDerWaalsContact O-N 3.16Å
25L75.3Confident75Confident27 Ų2779 Ų7914%0.14142%0.419CS..  trans-86132.1-179.4-58.2178.3000111.5F17 W22 E23 Q29 R30F17-L25 HydrophobicContact CD1-CD1 4.47Å; F17-L25 HydrophobicContact CD2-CD1 4.01Å; F17-L25 HydrophobicContact CE1-CD1 4.17Å; F17-L25 HydrophobicContact CE1-CD2 4.27Å; F17-L25 HydrophobicContact CE2-CD1 3.66Å; F17-L25 HydrophobicContact CG-CD1 4.38Å; F17-L25 HydrophobicContact CZ-CD1 3.75Å; F17-L25 HydrophobicContact CZ-CD2 4.14Å; W22-L25 HydrophobicContact CD2-CD1 3.95Å; W22-L25 HydrophobicContact CE3-CD1 3.76Å; W22-L25 HydrophobicContact CG-CD1 4.37Å; W22-L25 HydrophobicContact CZ3-CD1 4.26Å; W22-L25 WeakPolarHBondContact O-CB 3.5Å; W22-L25 PolarHBondContact O-N 3.49Å; E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 3.31Å; L25-Q29 VanDerWaalsContact CA-OE1 3.3Å; L25-Q29 HydrophobicContact CB-CB 4.1Å; L25-Q29 HydrophobicContact CD2-CB 4.15Å; L25-R30 HydrophobicContact CB-CG 3.72Å; L25-R30 HydrophobicContact CD1-CG 4.35Å; L25-R30 PolarHBondContact O-NE 3.19Å; L25-R30 PolarHBondContact O-NH2 3.25Å
26D75.6Confident75.3Confident82 Ų8276.8 Ų76.844%0.43941%0.409SS..  trans-74.1167.1168.867.454.1000112A28 Q29 R30D26-A28 PolarHBondContact O-N 3.2Å; D26-A28 WeakPolarHBondContact OD1-CA 3.34Å; D26-A28 WeakPolarHBondContact OD1-CB 3.39Å; D26-A28 PolarHBondContact OD1-N 3.41Å; D26-Q29 PolarHBondContact O-N 2.78Å; D26-Q29 VanDerWaalsContact O-N 3.12Å; D26-Q29 WeakPolarHBondContact OD1-CG 3.2Å; D26-Q29 PolarHBondContact OD1-N 3.23Å; D26-Q29 VanDerWaalsContact OD2-CD 3.27Å; D26-Q29 PolarHBondContact OD2-NE2 3.29Å; D26-R30 WeakPolarHBondContact O-CG 3.36Å; D26-R30 PolarHBondContact O-N 3.25Å
27S74.3Confident75.8Confident103 Ų10370.6 Ų70.672%0.7238%0.38SS*.Hα-helixtrans-57.6-34.3-177.4-500000113.4A31S27-A31 WeakPolarHBondContact O-CB 3.31Å; S27-A31 PolarHBondContact O-N 3.32Å
28A72.9Confident76.4Confident71 Ų7168 Ų6859%0.58737%0.37SS*.Hα-helixtrans-73.4-37.4179.500000111.3D26 L32D26-A28 PolarHBondContact O-N 3.2Å; D26-A28 WeakPolarHBondContact OD1-CA 3.34Å; D26-A28 WeakPolarHBondContact OD1-CB 3.39Å; D26-A28 PolarHBondContact OD1-N 3.41Å; A28-L32 WeakPolarHBondContact O-CB 3.45Å; A28-L32 PolarHBondContact O-N 3.28Å
29Q76.1Confident76.8Confident88 Ų8871.2 Ų71.241%0.41138%0.38SS..Hα-helixtrans-67-40.2174.4-69.4172-11.200112.1L25 D26 L32 Y33L25-Q29 VanDerWaalsContact CA-OE1 3.3Å; L25-Q29 HydrophobicContact CB-CB 4.1Å; L25-Q29 HydrophobicContact CD2-CB 4.15Å; D26-Q29 PolarHBondContact O-N 2.78Å; D26-Q29 VanDerWaalsContact O-N 3.12Å; D26-Q29 WeakPolarHBondContact OD1-CG 3.2Å; D26-Q29 PolarHBondContact OD1-N 3.23Å; D26-Q29 VanDerWaalsContact OD2-CD 3.27Å; D26-Q29 PolarHBondContact OD2-NE2 3.29Å; Q29-L32 PolarHBondContact O-N 2.93Å; Q29-Y33 WeakPolarHBondContact O-CB 3.43Å; Q29-Y33 PolarHBondContact O-N 3.4Å
30R83.5Confident77.3Confident75 Ų7570 Ų7028%0.28338%0.377SS..Hα-helixtrans-64.3-43.4174.9-65.8176.4-173.4-161.9-1.8111.6W22 L25 D26 Y33 R34W22-R30 HydrophobicContact CZ2-CB 3.94Å; W22-R30 HydrophobicContact CZ2-CG 3.75Å; W22-R30 VanDerWaalsContact NE1-CD 3.29Å; W22-R30 VanDerWaalsContact NE1-NE 3.16Å; W22-R30 PolarHBondContact O-NH2 2.87Å; W22-R30 VanDerWaalsContact O-NH2 3.14Å; L25-R30 HydrophobicContact CB-CG 3.72Å; L25-R30 HydrophobicContact CD1-CG 4.35Å; L25-R30 PolarHBondContact O-NE 3.19Å; L25-R30 PolarHBondContact O-NH2 3.25Å; D26-R30 WeakPolarHBondContact O-CG 3.36Å; D26-R30 PolarHBondContact O-N 3.25Å; R30-Y33 PolarHBondContact O-N 3.47Å; R30-R34 WeakPolarHBondContact O-CB 3.37Å; R30-R34 PolarHBondContact O-N 3.47Å
31A75.9Confident77.9Confident47 Ų4765.2 Ų65.239%0.38835%0.353SS..Hα-helixtrans-61.1-47.7174.100000111.6S27 Y33 R34 D35S27-A31 WeakPolarHBondContact O-CB 3.31Å; S27-A31 PolarHBondContact O-N 3.32Å; A31-Y33 VanDerWaalsContact C-N 3.34Å; A31-Y33 PolarHBondContact O-N 2.82Å; A31-R34 WeakPolarHBondContact O-CB 3.46Å; A31-R34 PolarHBondContact O-N 3.43Å; A31-D35 VanDerWaalsContact O-CG 3.29Å; A31-D35 PolarHBondContact O-N 3.22Å
32L79Confident78.1Confident108 Ų10865.3 Ų65.357%0.56536%0.356SS*.Hα-helixtrans-61.7-41.6177.1-179.663.9000112.2A28 Q29 R34 D35 V36A28-L32 WeakPolarHBondContact O-CB 3.45Å; A28-L32 PolarHBondContact O-N 3.28Å; Q29-L32 PolarHBondContact O-N 2.93Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.24Å; L32-D35 PolarHBondContact O-N 2.99Å; L32-V36 HydrophobicContact CD1-CG2 4.05Å; L32-V36 HydrophobicContact CG-CG2 4.34Å; L32-V36 WeakPolarHBondContact O-CB 3.37Å; L32-V36 VanDerWaalsContact O-CG2 3.23Å; L32-V36 WeakPolarHBondContact O-CG2 3.38Å; L32-V36 PolarHBondContact O-N 3.24Å
33Y82.7Confident78.2Confident21 Ų2168.6 Ų68.68%0.08238%0.375CS..Hα-helixtrans-57.9-48.4174.7171.3-93.9000111.2L15 F17 W22 Q29 R30 A31 D35 V36 M37 L60L15-Y33 HydrophobicContact CB-CE2 4.09Å; L15-Y33 WeakPolarHBondContact O-CE2 3.14Å; L15-Y33 VanDerWaalsContact O-CZ 3.29Å; L15-Y33 PolarHBondContact O-OH 3.5Å; F17-Y33 AromaticContact CD2-CD2 3.84Å; F17-Y33 HydrophobicContact CD2-CD2 3.84Å; F17-Y33 AromaticContact CD2-CE2 3.6Å; F17-Y33 HydrophobicContact CD2-CE2 3.6Å; F17-Y33 HydrophobicContact CD2-CG 4.44Å; F17-Y33 AromaticContact CE2-CD2 3.35Å; F17-Y33 HydrophobicContact CE2-CD2 3.35Å; F17-Y33 AromaticContact CE2-CE2 3.56Å; F17-Y33 HydrophobicContact CE2-CE2 3.56Å; F17-Y33 HydrophobicContact CE2-CG 4.03Å; F17-Y33 HydrophobicContact CZ-CD2 4.48Å; W22-Y33 AromaticContact CH2-CD1 3.36Å; W22-Y33 HydrophobicContact CH2-CD1 3.36Å; W22-Y33 AromaticContact CH2-CE1 3.71Å; W22-Y33 HydrophobicContact CH2-CE1 3.71Å; W22-Y33 HydrophobicContact CH2-CG 4.14Å; W22-Y33 AromaticContact CZ3-CD1 3.27Å; W22-Y33 HydrophobicContact CZ3-CD1 3.27Å; W22-Y33 HydrophobicContact CZ3-CD2 4.43Å; W22-Y33 AromaticContact CZ3-CE1 3.36Å; W22-Y33 HydrophobicContact CZ3-CE1 3.36Å; W22-Y33 HydrophobicContact CZ3-CE2 4.47Å; W22-Y33 AromaticContact CZ3-CG 3.8Å; W22-Y33 HydrophobicContact CZ3-CG 3.8Å; W22-Y33 AromaticContact CZ3-CZ 3.96Å; Q29-Y33 WeakPolarHBondContact O-CB 3.43Å; Q29-Y33 PolarHBondContact O-N 3.4Å; R30-Y33 PolarHBondContact O-N 3.47Å; A31-Y33 VanDerWaalsContact C-N 3.34Å; A31-Y33 PolarHBondContact O-N 2.82Å; Y33-D35 PolarHBondContact O-N 3.46Å; Y33-V36 PolarHBondContact O-N 3.25Å; Y33-M37 HydrophobicContact CD1-CG 4.1Å; Y33-M37 HydrophobicContact CD2-CG 3.87Å; Y33-M37 HydrophobicContact CE1-CG 3.78Å; Y33-M37 HydrophobicContact CE2-CE 4.32Å; Y33-M37 HydrophobicContact CE2-CG 3.56Å; Y33-M37 HydrophobicContact CE2-SD 4.01Å; Y33-M37 HydrophobicContact CG-CG 4.2Å; Y33-M37 WeakPolarHBondContact O-CB 3.44Å; Y33-M37 WeakPolarHBondContact O-CG 3.42Å; Y33-M37 PolarHBondContact O-N 3.01Å; Y33-M37 WeakPolarHBondContact OH-CE 3.22Å; Y33-L60 HydrophobicContact CD1-CD1 4.42Å; Y33-L60 HydrophobicContact CD1-CD2 4.14Å; Y33-L60 HydrophobicContact CE1-CD1 3.9Å; Y33-L60 HydrophobicContact CE1-CD2 4.01Å; Y33-L60 HydrophobicContact CE1-CG 4.49Å
34R80.4Confident77.9Confident71 Ų7163.7 Ų63.727%0.26835%0.352SS..Hα-helixtrans-56.7-51.3178176.4176.7-177.3-97.20.8111R30 A31 L32 V36 M37 L38 L60 N63R30-R34 WeakPolarHBondContact O-CB 3.37Å; R30-R34 PolarHBondContact O-N 3.47Å; A31-R34 WeakPolarHBondContact O-CB 3.46Å; A31-R34 PolarHBondContact O-N 3.43Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.24Å; R34-V36 PolarHBondContact O-N 3.43Å; R34-M37 PolarHBondContact O-N 3.45Å; R34-L38 HydrophobicContact CG-CD1 3.81Å; R34-L38 HydrophobicContact CG-CG 4.43Å; R34-L38 WeakPolarHBondContact O-CB 3.44Å; R34-L38 VanDerWaalsContact O-CG 3.31Å; R34-L38 WeakPolarHBondContact O-CG 3.48Å; R34-L38 PolarHBondContact O-N 3.48Å; R34-L60 HydrophobicContact CB-CD2 4.01Å; R34-L60 HydrophobicContact CG-CB 4.32Å; R34-L60 HydrophobicContact CG-CD2 4.08Å; R34-L60 PolarHBondContact NE-O 3.15Å; R34-L60 PolarHBondContact NH2-O 3.4Å; R34-N63 PolarHBondContact NE-OD1 2.97Å; R34-N63 VanDerWaalsContact NE-OD1 3.13Å; R34-N63 PolarHBondContact NH2-OD1 3.47Å
35D78.4Confident77.7Confident87 Ų8762 Ų6247%0.46534%0.338SS..Hα-helixtrans-59.7-47.3-178.9-66.4-16000111.1A31 L32 Y33 M37 L38 E39A31-D35 VanDerWaalsContact O-CG 3.29Å; A31-D35 PolarHBondContact O-N 3.22Å; L32-D35 PolarHBondContact O-N 2.99Å; Y33-D35 PolarHBondContact O-N 3.46Å; D35-M37 PolarHBondContact O-N 2.93Å; D35-L38 PolarHBondContact O-N 3.15Å; D35-E39 VanDerWaalsContact O-CB 3.23Å; D35-E39 WeakPolarHBondContact O-CB 3.37Å; D35-E39 PolarHBondContact O-N 3.45Å
36V80.8Confident77.4Confident55 Ų5565.3 Ų65.333%0.33336%0.364SS..Hα-helixtrans-64.7-41.1179.7171.50000112L32 Y33 R34 N40L32-V36 HydrophobicContact CD1-CG2 4.05Å; L32-V36 HydrophobicContact CG-CG2 4.34Å; L32-V36 WeakPolarHBondContact O-CB 3.37Å; L32-V36 VanDerWaalsContact O-CG2 3.23Å; L32-V36 WeakPolarHBondContact O-CG2 3.38Å; L32-V36 PolarHBondContact O-N 3.24Å; Y33-V36 PolarHBondContact O-N 3.25Å; R34-V36 PolarHBondContact O-N 3.43Å; V36-N40 VanDerWaalsContact O-CB 3.28Å; V36-N40 WeakPolarHBondContact O-CB 3.46Å; V36-N40 PolarHBondContact O-N 3.29Å; V36-N40 PolarHBondContact O-ND2 2.9Å
37M83.2Confident77.3Confident2 Ų266.5 Ų66.51%0.0137%0.374CS..Hα-helixtrans-70.1-40.9-179.3-70.8-66.7-80.100111.9F10 A14 L15 Y33 R34 D35 Y41 V56 I57 L60F10-M37 HydrophobicContact CE1-CE 3.79Å; F10-M37 HydrophobicContact CE2-CE 4.43Å; F10-M37 HydrophobicContact CZ-CE 3.39Å; F10-M37 HydrophobicContact CZ-SD 4.2Å; A14-M37 HydrophobicContact CB-CE 3.71Å; A14-M37 HydrophobicContact CB-SD 4.44Å; L15-M37 PolarHBondContact N-SD 3.4Å; L15-M37 VanDerWaalsContact N-SD 3.45Å; L15-M37 WeakPolarHBondContact O-CE 3.48Å; Y33-M37 HydrophobicContact CD1-CG 4.1Å; Y33-M37 HydrophobicContact CD2-CG 3.87Å; Y33-M37 HydrophobicContact CE1-CG 3.78Å; Y33-M37 HydrophobicContact CE2-CE 4.32Å; Y33-M37 HydrophobicContact CE2-CG 3.56Å; Y33-M37 HydrophobicContact CE2-SD 4.01Å; Y33-M37 HydrophobicContact CG-CG 4.2Å; Y33-M37 WeakPolarHBondContact O-CB 3.44Å; Y33-M37 WeakPolarHBondContact O-CG 3.42Å; Y33-M37 PolarHBondContact O-N 3.01Å; Y33-M37 WeakPolarHBondContact OH-CE 3.22Å; R34-M37 PolarHBondContact O-N 3.45Å; D35-M37 PolarHBondContact O-N 2.93Å; M37-Y41 WeakPolarHBondContact O-CB 3.25Å; M37-Y41 PolarHBondContact O-N 2.9Å; M37-V56 HydrophobicContact CE-CG1 4.24Å; M37-I57 HydrophobicContact CB-CD1 4.49Å; M37-L60 HydrophobicContact CB-CD1 3.54Å; M37-L60 HydrophobicContact CG-CD1 4.22Å
38L79.8Confident76.7Confident25 Ų2564.8 Ų64.813%0.13137%0.373CS..Hα-helixtrans-66.5-41.7173.7-68.7175.3000111.5R34 D35 Y41 N42 I57 L60 E61R34-L38 HydrophobicContact CG-CD1 3.81Å; R34-L38 HydrophobicContact CG-CG 4.43Å; R34-L38 WeakPolarHBondContact O-CB 3.44Å; R34-L38 VanDerWaalsContact O-CG 3.31Å; R34-L38 WeakPolarHBondContact O-CG 3.48Å; R34-L38 PolarHBondContact O-N 3.48Å; D35-L38 PolarHBondContact O-N 3.15Å; L38-Y41 PolarHBondContact O-N 3.41Å; L38-N42 WeakPolarHBondContact O-CB 3.46Å; L38-N42 VanDerWaalsContact O-CG 3.29Å; L38-N42 PolarHBondContact O-N 2.85Å; L38-N42 PolarHBondContact O-ND2 3.27Å; L38-N42 VanDerWaalsContact O-ND2 3.14Å; L38-I57 HydrophobicContact CD2-CD1 4.38Å; L38-I57 HydrophobicContact CD2-CG2 4.27Å; L38-L60 HydrophobicContact CD2-CB 4.2Å; L38-L60 HydrophobicContact CG-CB 4.42Å; L38-E61 HydrophobicContact CD2-CG 3.66Å
39E79.2Confident76.4Confident113 Ų11363.1 Ų63.153%0.52836%0.355SS..Hα-helixtrans-62.4-45.8175.4-167.4-168.1141.800111.2D35 Y41 N42 N43D35-E39 VanDerWaalsContact O-CB 3.23Å; D35-E39 WeakPolarHBondContact O-CB 3.37Å; D35-E39 PolarHBondContact O-N 3.45Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 3.47Å; E39-N42 PolarHBondContact O-N 3.1Å; E39-N43 VanDerWaalsContact O-CB 3.27Å; E39-N43 WeakPolarHBondContact O-CB 3.45Å; E39-N43 PolarHBondContact O-N 3Å; E39-N43 PolarHBondContact O-ND2 3.21Å
40N77.6Confident75.8Confident44 Ų4463.6 Ų63.624%0.23537%0.374CS..Hα-helixtrans-60.6-42.3176.7-76.3-18.2000112.2F10 V13 V36 L44F10-N40 HydrophobicContact CE2-CB 4.47Å; V13-N40 HydrophobicContact CG2-CB 4.23Å; V36-N40 VanDerWaalsContact O-CB 3.28Å; V36-N40 WeakPolarHBondContact O-CB 3.46Å; V36-N40 PolarHBondContact O-N 3.29Å; V36-N40 PolarHBondContact O-ND2 2.9Å; N40-L44 WeakPolarHBondContact O-CG 3.46Å; N40-L44 PolarHBondContact O-N 3.06Å; N40-L44 VanDerWaalsContact O-N 3.07Å
41Y78.8Confident74.8Confident31 Ų3161.2 Ų61.212%0.12237%0.368CS..Hα-helixtrans-63.6-49.5175.3175.1-104.5000111.7F10 M37 L38 E39 N43 L44 V45 V51 K53 I57F10-Y41 HydrophobicContact CD2-CD2 4.38Å; M37-Y41 WeakPolarHBondContact O-CB 3.25Å; M37-Y41 PolarHBondContact O-N 2.9Å; L38-Y41 PolarHBondContact O-N 3.41Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 3.47Å; Y41-N43 VanDerWaalsContact C-N 3.3Å; Y41-N43 PolarHBondContact O-N 3.35Å; Y41-L44 PolarHBondContact O-N 3.43Å; Y41-L44 VanDerWaalsContact O-N 3.13Å; Y41-V45 HydrophobicContact CD1-CG2 4.47Å; Y41-V45 HydrophobicContact CE1-CG2 4.07Å; Y41-V45 HydrophobicContact CE2-CG2 4.13Å; Y41-V45 WeakPolarHBondContact O-CG2 3.25Å; Y41-V45 PolarHBondContact O-N 2.95Å; Y41-V51 HydrophobicContact CD2-CG1 4.16Å; Y41-V51 HydrophobicContact CE2-CB 4.47Å; Y41-V51 HydrophobicContact CE2-CG1 4.03Å; Y41-K53 HydrophobicContact CE2-CB 4.48Å; Y41-K53 HydrophobicContact CE2-CG 4.49Å; Y41-I57 HydrophobicContact CD1-CG2 3.81Å; Y41-I57 HydrophobicContact CD2-CG1 4.02Å; Y41-I57 HydrophobicContact CD2-CG2 4.4Å; Y41-I57 HydrophobicContact CE1-CG2 4Å; Y41-I57 HydrophobicContact CG-CD1 4.11Å; Y41-I57 HydrophobicContact CG-CG1 3.98Å; Y41-I57 HydrophobicContact CG-CG2 4.02Å
42N76.3Confident74.6Confident87 Ų8764.2 Ų64.247%0.46539%0.386SS..Hα-helixtrans-60.6-38.7177.4-74.9-33.6000112.5L38 E39 V45 S46L38-N42 WeakPolarHBondContact O-CB 3.46Å; L38-N42 VanDerWaalsContact O-CG 3.29Å; L38-N42 PolarHBondContact O-N 2.85Å; L38-N42 PolarHBondContact O-ND2 3.27Å; L38-N42 VanDerWaalsContact O-ND2 3.14Å; E39-N42 PolarHBondContact O-N 3.1Å; N42-V45 PolarHBondContact O-N 3.32Å; N42-S46 VanDerWaalsContact O-CB 3.26Å; N42-S46 WeakPolarHBondContact O-CB 3.48Å; N42-S46 PolarHBondContact O-N 3.41Å; N42-S46 PolarHBondContact O-OG 2.83Å
43N77.2Confident74.1Confident77 Ų7763.5 Ų63.541%0.41238%0.378SS..Hα-helixtrans-62.6-43.5175.4-77.1-27.2000111.1E39 Y41 S46 V47E39-N43 VanDerWaalsContact O-CB 3.27Å; E39-N43 WeakPolarHBondContact O-CB 3.45Å; E39-N43 PolarHBondContact O-N 3Å; E39-N43 PolarHBondContact O-ND2 3.21Å; Y41-N43 VanDerWaalsContact C-N 3.3Å; Y41-N43 PolarHBondContact O-N 3.35Å; N43-S46 PolarHBondContact O-N 3.3Å; N43-V47 WeakPolarHBondContact O-CG2 3.34Å; N43-V47 PolarHBondContact O-N 3.22Å
44L71.3Confident73.6Confident16 Ų1663.6 Ų63.68%0.08438%0.382CS..Hα-helixtrans-64.6-42.6176.8-73173.1000112.6F10 V13 N40 Y41 S46 V47 V49 V51F10-L44 HydrophobicContact CB-CD1 4.08Å; F10-L44 HydrophobicContact CD2-CD1 4.1Å; V13-L44 HydrophobicContact CG2-CD1 3.72Å; N40-L44 WeakPolarHBondContact O-CG 3.46Å; N40-L44 PolarHBondContact O-N 3.06Å; N40-L44 VanDerWaalsContact O-N 3.07Å; Y41-L44 PolarHBondContact O-N 3.43Å; Y41-L44 VanDerWaalsContact O-N 3.13Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-V47 VanDerWaalsContact O-CG2 3.23Å; L44-V47 WeakPolarHBondContact O-CG2 3.31Å; L44-V47 PolarHBondContact O-N 3.09Å; L44-V49 WeakPolarHBondContact O-CB 3.37Å; L44-V49 PolarHBondContact O-N 3.16Å; L44-V51 HydrophobicContact CB-CG2 3.76Å; L44-V51 HydrophobicContact CD1-CG2 4.14Å; L44-V51 HydrophobicContact CG-CG2 4.49Å
45V73.5Confident73.2Confident72 Ų7267.5 Ų67.544%0.43640%0.403SS..Hα-helixtrans-61.6-43.5173.5175.10000110.4Y41 N42 V47 G48Y41-V45 HydrophobicContact CD1-CG2 4.47Å; Y41-V45 HydrophobicContact CE1-CG2 4.07Å; Y41-V45 HydrophobicContact CE2-CG2 4.13Å; Y41-V45 WeakPolarHBondContact O-CG2 3.25Å; Y41-V45 PolarHBondContact O-N 2.95Å; N42-V45 PolarHBondContact O-N 3.32Å; V45-V47 VanDerWaalsContact C-N 3.35Å; V45-V47 PolarHBondContact O-N 2.84Å; V45-G48 PolarHBondContact O-N 3.4Å
46S69.1Low72.8Confident97 Ų9764.6 Ų64.668%0.67839%0.389SS*.Hα-helixtrans-66.3-32.5-178.5-61.10000113.3N42 N43 L44 G48N42-S46 VanDerWaalsContact O-CB 3.26Å; N42-S46 WeakPolarHBondContact O-CB 3.48Å; N42-S46 PolarHBondContact O-N 3.41Å; N42-S46 PolarHBondContact O-OG 2.83Å; N43-S46 PolarHBondContact O-N 3.3Å; L44-S46 VanDerWaalsContact C-N 3.33Å; S46-G48 PolarHBondContact O-N 3.36Å
47V73.2Confident72.6Confident106 Ų10662 Ų6264%0.64237%0.373SS*.THydrogen-bonded Turntrans-79.37.8174-62.40000113.3N43 L44 V45 V49N43-V47 WeakPolarHBondContact O-CG2 3.34Å; N43-V47 PolarHBondContact O-N 3.22Å; L44-V47 VanDerWaalsContact O-CG2 3.23Å; L44-V47 WeakPolarHBondContact O-CG2 3.31Å; L44-V47 PolarHBondContact O-N 3.09Å; V45-V47 VanDerWaalsContact C-N 3.35Å; V45-V47 PolarHBondContact O-N 2.84Å; V47-V49 VanDerWaalsContact C-N 3.29Å; V47-V49 HydrophobicContact CG2-CB 4.38Å; V47-V49 HydrophobicContact CG2-CG2 3.71Å; V47-V49 PolarHBondContact O-N 3.48Å
48G62.7Low72.2Confident68 Ų6864.1 Ų64.170%0.70139%0.386SS*.THydrogen-bonded Turntrans74.516.9176.100000113.9V45 S46V45-G48 PolarHBondContact O-N 3.4Å; S46-G48 PolarHBondContact O-N 3.36Å
49V66.1Low72Confident35 Ų3565.3 Ų65.321%0.21239%0.39CS..  trans-78.9122.6173.61780000107.6L8 L44 V47 V51L8-V49 VanDerWaalsContact O-CG1 3.25Å; L8-V49 WeakPolarHBondContact O-CG1 3.49Å; L44-V49 WeakPolarHBondContact O-CB 3.37Å; L44-V49 PolarHBondContact O-N 3.16Å; V47-V49 VanDerWaalsContact C-N 3.29Å; V47-V49 HydrophobicContact CG2-CB 4.38Å; V47-V49 HydrophobicContact CG2-CG2 3.71Å; V47-V49 PolarHBondContact O-N 3.48Å; V49-V51 HydrophobicContact CB-CG2 4.12Å; V49-V51 HydrophobicContact CG1-CG2 3.62Å; V49-V51 PolarHBondContact O-N 3.39Å
50A62.6Low71.9Confident98 Ų9860.2 Ų60.281%0.8137%0.366SS*.  trans-67.894.3173.400000109.5
51V63.9Low71.9Confident26 Ų2662 Ų6216%0.15837%0.374CS..  trans-106.5121.2178.4-178.40000109F10 Y41 L44 V49F10-V51 HydrophobicContact CB-CG1 3.67Å; Y41-V51 HydrophobicContact CD2-CG1 4.16Å; Y41-V51 HydrophobicContact CE2-CB 4.47Å; Y41-V51 HydrophobicContact CE2-CG1 4.03Å; L44-V51 HydrophobicContact CB-CG2 3.76Å; L44-V51 HydrophobicContact CD1-CG2 4.14Å; L44-V51 HydrophobicContact CG-CG2 4.49Å; V49-V51 HydrophobicContact CB-CG2 4.12Å; V49-V51 HydrophobicContact CG1-CG2 3.62Å; V49-V51 PolarHBondContact O-N 3.39Å
52S70Confident71.8Confident110 Ų11065.2 Ų65.277%0.76939%0.39SS*.  trans-66.5131.7168.7-50.20000109.5S54S52-S54 PolarHBondContact O-N 2.79Å
53K70.4Confident71.4Confident93 Ų9366.8 Ų66.840%0.40440%0.398SS..  trans-61.7112.3176.4-164.6177.4-177.1-179.10109.3Y41 I57 E61Y41-K53 HydrophobicContact CE2-CB 4.48Å; Y41-K53 HydrophobicContact CE2-CG 4.49Å; K53-I57 HydrophobicContact CD-CG2 4.47Å; K53-I57 HydrophobicContact CG-CB 4.14Å; K53-I57 HydrophobicContact CG-CG2 3.87Å; K53-E61 VanDerWaalsContact CE-CD 3.46Å; K53-E61 WeakPolarHBondContact CE-OE1 3.39Å; K53-E61 VanDerWaalsContact CE-OE2 3.29Å; K53-E61 WeakPolarHBondContact CE-OE2 3.16Å; K53-E61 VanDerWaalsContact NZ-CD 3.27Å; K53-E61 IonicContact NZ-OE1 3.91Å; K53-E61 PolarHBondContact NZ-OE1 2.91Å; K53-E61 IonicContact NZ-OE2 3.36Å; K53-E61 PolarHBondContact NZ-OE2 3.16Å
54S71.7Confident71.1Confident23 Ų2367.8 Ų67.816%0.16140%0.399CS..  trans-68.2151177175.40000110.3S52 V56 I57 T58S52-S54 PolarHBondContact O-N 2.79Å; S54-V56 PolarHBondContact O-N 3.07Å; S54-V56 PolarHBondContact OG-N 3.41Å; S54-I57 PolarHBondContact O-N 3Å; S54-T58 PolarHBondContact O-N 3.42Å; S54-T58 VanDerWaalsContact O-N 3.17Å; S54-T58 PolarHBondContact O-OG1 3.16Å
55E70.5Confident70.9Confident153 Ų15370.2 Ų70.272%0.71541%0.412SS*.Hα-helixtrans-50.5-40.4172-70.7179.9-179.200111.3I57 T58 F59E55-I57 VanDerWaalsContact C-N 3.34Å; E55-I57 PolarHBondContact O-N 3.3Å; E55-T58 WeakPolarHBondContact O-CB 3.48Å; E55-T58 PolarHBondContact O-N 3.26Å; E55-F59 HydrophobicContact CB-CD2 4.34Å; E55-F59 HydrophobicContact CB-CE2 4.03Å; E55-F59 WeakPolarHBondContact O-CD2 3.41Å; E55-F59 PolarHBondContact O-N 2.89Å
56V72.1Confident70.4Confident26 Ų2668.1 Ų68.116%0.15840%0.4CS..Hα-helixtrans-57.9-42.7176.9179.30000112.1M37 S54 F59 L60 P66M37-V56 HydrophobicContact CE-CG1 4.24Å; S54-V56 PolarHBondContact O-N 3.07Å; S54-V56 PolarHBondContact OG-N 3.41Å; V56-F59 PolarHBondContact O-N 3.11Å; V56-L60 HydrophobicContact CG1-CD1 3.97Å; V56-L60 HydrophobicContact CG1-CG 4.36Å; V56-L60 WeakPolarHBondContact O-CB 3.38Å; V56-L60 WeakPolarHBondContact O-CG 3.25Å; V56-L60 PolarHBondContact O-N 3.28Å; V56-P66 HydrophobicContact CG1-CB 4.32Å; V56-P66 HydrophobicContact CG1-CG 4.31Å
57I75.2Confident70.1Confident0 Ų066.5 Ų66.50%038%0.379CS..Hα-helixtrans-68.4-40.8179-67.2-60.2000110.6F10 M37 L38 Y41 K53 S54 E55 F59 L60 E61F10-I57 HydrophobicContact CE1-CD1 4.13Å; F10-I57 HydrophobicContact CE1-CG1 3.95Å; F10-I57 HydrophobicContact CE2-CD1 3.8Å; F10-I57 HydrophobicContact CE2-CG1 4.17Å; F10-I57 HydrophobicContact CZ-CD1 3.4Å; F10-I57 VanDerWaalsContact CZ-CD1 3.4Å; F10-I57 HydrophobicContact CZ-CG1 3.71Å; M37-I57 HydrophobicContact CB-CD1 4.49Å; L38-I57 HydrophobicContact CD2-CD1 4.38Å; L38-I57 HydrophobicContact CD2-CG2 4.27Å; Y41-I57 HydrophobicContact CD1-CG2 3.81Å; Y41-I57 HydrophobicContact CD2-CG1 4.02Å; Y41-I57 HydrophobicContact CD2-CG2 4.4Å; Y41-I57 HydrophobicContact CE1-CG2 4Å; Y41-I57 HydrophobicContact CG-CD1 4.11Å; Y41-I57 HydrophobicContact CG-CG1 3.98Å; Y41-I57 HydrophobicContact CG-CG2 4.02Å; K53-I57 HydrophobicContact CD-CG2 4.47Å; K53-I57 HydrophobicContact CG-CB 4.14Å; K53-I57 HydrophobicContact CG-CG2 3.87Å; S54-I57 PolarHBondContact O-N 3Å; E55-I57 VanDerWaalsContact C-N 3.34Å; E55-I57 PolarHBondContact O-N 3.3Å; I57-F59 PolarHBondContact O-N 3.33Å; I57-L60 PolarHBondContact O-N 3.16Å; I57-E61 HydrophobicContact CG2-CG 4.41Å; I57-E61 WeakPolarHBondContact O-CG 3.46Å; I57-E61 PolarHBondContact O-N 3.31Å
58T74.7Confident68.2Low47 Ų4766.5 Ų66.529%0.28837%0.374SS..Hα-helixtrans-59.6-46.2175.1-53.10000111.3S54 E55 E61 E62S54-T58 PolarHBondContact O-N 3.42Å; S54-T58 VanDerWaalsContact O-N 3.17Å; S54-T58 PolarHBondContact O-OG1 3.16Å; E55-T58 WeakPolarHBondContact O-CB 3.48Å; E55-T58 PolarHBondContact O-N 3.26Å; T58-E61 PolarHBondContact O-N 3.41Å; T58-E62 WeakPolarHBondContact O-CG 3.45Å; T58-E62 PolarHBondContact O-N 3.46Å; T58-E62 VanDerWaalsContact O-N 3.15Å
59F76.3Confident66.8Low50 Ų5069.2 Ų69.222%0.21938%0.377CS..Hα-helixtrans-61.7-45.3175.7-71.3-60.9000112.4E55 V56 I57 E61 E62 N63 K64E55-F59 HydrophobicContact CB-CD2 4.34Å; E55-F59 HydrophobicContact CB-CE2 4.03Å; E55-F59 WeakPolarHBondContact O-CD2 3.41Å; E55-F59 PolarHBondContact O-N 2.89Å; V56-F59 PolarHBondContact O-N 3.11Å; I57-F59 PolarHBondContact O-N 3.33Å; F59-E61 PolarHBondContact O-N 2.78Å; F59-E62 CarbonylContact O-C 3.54Å; F59-E62 PolarHBondContact O-N 3.46Å; F59-N63 PolarHBondContact O-N 2.85Å; F59-K64 CarbonylContact C-O 3.58Å; F59-K64 HydrophobicContact CB-CB 4.33Å; F59-K64 HydrophobicContact CD1-CB 4.01Å; F59-K64 HydrophobicContact CD1-CD 4.26Å; F59-K64 PolarHBondContact O-N 2.83Å
60L76.7Confident65.1Low5 Ų573.4 Ų73.43%0.02640%0.398CS..Hα-helixtrans-64.7-38.7-179.6-71.9175.9000112.9Y33 R34 M37 L38 V56 I57 E62 N63 P66Y33-L60 HydrophobicContact CD1-CD1 4.42Å; Y33-L60 HydrophobicContact CD1-CD2 4.14Å; Y33-L60 HydrophobicContact CE1-CD1 3.9Å; Y33-L60 HydrophobicContact CE1-CD2 4.01Å; Y33-L60 HydrophobicContact CE1-CG 4.49Å; R34-L60 HydrophobicContact CB-CD2 4.01Å; R34-L60 HydrophobicContact CG-CB 4.32Å; R34-L60 HydrophobicContact CG-CD2 4.08Å; R34-L60 PolarHBondContact NE-O 3.15Å; R34-L60 PolarHBondContact NH2-O 3.4Å; M37-L60 HydrophobicContact CB-CD1 3.54Å; M37-L60 HydrophobicContact CG-CD1 4.22Å; L38-L60 HydrophobicContact CD2-CB 4.2Å; L38-L60 HydrophobicContact CG-CB 4.42Å; V56-L60 HydrophobicContact CG1-CD1 3.97Å; V56-L60 HydrophobicContact CG1-CG 4.36Å; V56-L60 WeakPolarHBondContact O-CB 3.38Å; V56-L60 WeakPolarHBondContact O-CG 3.25Å; V56-L60 PolarHBondContact O-N 3.28Å; I57-L60 PolarHBondContact O-N 3.16Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-N63 PolarHBondContact O-N 3.39Å; L60-P66 HydrophobicContact CD2-CG 3.96Å; L60-P66 HydrophobicContact CG-CG 4.27Å
61E78.9Confident63.6Low82 Ų8279.6 Ų79.638%0.38340%0.4SS..Hα-helixtrans-63.8-39.8173.9-75.6-179.4-162.500111.9L38 K53 I57 T58 F59 N63L38-E61 HydrophobicContact CD2-CG 3.66Å; K53-E61 VanDerWaalsContact CE-CD 3.46Å; K53-E61 WeakPolarHBondContact CE-OE1 3.39Å; K53-E61 VanDerWaalsContact CE-OE2 3.29Å; K53-E61 WeakPolarHBondContact CE-OE2 3.16Å; K53-E61 VanDerWaalsContact NZ-CD 3.27Å; K53-E61 IonicContact NZ-OE1 3.91Å; K53-E61 PolarHBondContact NZ-OE1 2.91Å; K53-E61 IonicContact NZ-OE2 3.36Å; K53-E61 PolarHBondContact NZ-OE2 3.16Å; I57-E61 HydrophobicContact CG2-CG 4.41Å; I57-E61 WeakPolarHBondContact O-CG 3.46Å; I57-E61 PolarHBondContact O-N 3.31Å; T58-E61 PolarHBondContact O-N 3.41Å; F59-E61 PolarHBondContact O-N 2.78Å; E61-N63 PolarHBondContact O-N 2.88Å
62E75.6Confident61.9Low98 Ų9885 Ų8546%0.45843%0.428SS..THydrogen-bonded Turntrans-74.93.2176.9-68.8-178.4-178.500114T58 F59 L60 K64T58-E62 WeakPolarHBondContact O-CG 3.45Å; T58-E62 PolarHBondContact O-N 3.46Å; T58-E62 VanDerWaalsContact O-N 3.15Å; F59-E62 CarbonylContact O-C 3.54Å; F59-E62 PolarHBondContact O-N 3.46Å; L60-E62 VanDerWaalsContact C-N 3.34Å; E62-K64 HydrophobicContact CB-CD 4.12Å; E62-K64 HydrophobicContact CB-CG 4.06Å; E62-K64 PolarHBondContact O-N 3.28Å; E62-K64 WeakPolarHBondContact OE2-CD 3.46Å; E62-K64 WeakPolarHBondContact OE2-CE 3.2Å; E62-K64 IonicContact OE2-NZ 3.87Å; E62-K64 PolarHBondContact OE2-NZ 2.78Å
63N68.1Low59.8Low121 Ų12183.5 Ų83.565%0.64743%0.43SS*.THydrogen-bonded Turntrans55.529.5-171.5-63.8-59.3000113.3R34 F59 L60 E61R34-N63 PolarHBondContact NE-OD1 2.97Å; R34-N63 VanDerWaalsContact NE-OD1 3.13Å; R34-N63 PolarHBondContact NH2-OD1 3.47Å; F59-N63 PolarHBondContact O-N 2.85Å; L60-N63 PolarHBondContact O-N 3.39Å; E61-N63 PolarHBondContact O-N 2.88Å
64K70.5Confident57.6Low97 Ų9785.3 Ų85.342%0.42245%0.449SS..  trans-96150.3175-68.5178.7-175.7163.70110.4F59 E62 I68F59-K64 CarbonylContact C-O 3.58Å; F59-K64 HydrophobicContact CB-CB 4.33Å; F59-K64 HydrophobicContact CD1-CB 4.01Å; F59-K64 HydrophobicContact CD1-CD 4.26Å; F59-K64 PolarHBondContact O-N 2.83Å; E62-K64 HydrophobicContact CB-CD 4.12Å; E62-K64 HydrophobicContact CB-CG 4.06Å; E62-K64 PolarHBondContact O-N 3.28Å; E62-K64 WeakPolarHBondContact OE2-CD 3.46Å; E62-K64 WeakPolarHBondContact OE2-CE 3.2Å; E62-K64 IonicContact OE2-NZ 3.87Å; E62-K64 PolarHBondContact OE2-NZ 2.78Å; K64-I68 HydrophobicContact CB-CD1 4.46Å; K64-I68 HydrophobicContact CD-CD1 4.49Å
65D66.8Low55.2Low68 Ų6892 Ų9236%0.36448%0.478SS..  trans-66.2127.9170.1-79.2-28.1000109.8W67D65-W67 HydrophobicContact CB-CD2 4.48Å; D65-W67 HydrophobicContact CB-CE3 4.2Å; D65-W67 HydrophobicContact CB-CH2 3.3Å; D65-W67 HydrophobicContact CB-CZ2 3.88Å; D65-W67 HydrophobicContact CB-CZ3 3.55Å; D65-W67 PolarHBondContact O-N 3.23Å; D65-W67 WeakPolarHBondContact OD1-CH2 3.43Å; D65-W67 WeakPolarHBondContact OD2-CH2 3.19Å
66P63.5Low53Low27 Ų2796.4 Ų96.418%0.17549%0.488CS..THydrogen-bonded Turntrans-61.1-9.8-175.4-29.135.9000116.8W22 V56 L60W22-P66 HydrophobicContact CH2-CG 4.38Å; V56-P66 HydrophobicContact CG1-CB 4.32Å; V56-P66 HydrophobicContact CG1-CG 4.31Å; L60-P66 HydrophobicContact CD2-CG 3.96Å; L60-P66 HydrophobicContact CG-CG 4.27Å
67W62.7Low50.5Low64 Ų64104.5 Ų104.524%0.24252%0.516CS..THydrogen-bonded Turntrans-112.550.1-178.170.591.2000113.6K19 W22 D65 V69K19-W67 HydrophobicContact CB-CG 4.45Å; K19-W67 HydrophobicContact CG-CG 4.39Å; W22-W67 HydrophobicContact CB-CE3 3.97Å; W22-W67 HydrophobicContact CB-CH2 4.11Å; W22-W67 HydrophobicContact CB-CZ2 4.44Å; W22-W67 HydrophobicContact CB-CZ3 3.79Å; W22-W67 AromaticContact CD1-CH2 2.74Å; W22-W67 AromaticContact CD1-CZ2 3.45Å; W22-W67 VanDerWaalsContact CD1-CZ2 3.45Å; W22-W67 AromaticContact CD1-CZ3 3.06Å; W22-W67 HydrophobicContact CD2-CE3 4Å; W22-W67 AromaticContact CD2-CH2 3.79Å; W22-W67 HydrophobicContact CD2-CH2 3.79Å; W22-W67 AromaticContact CD2-CZ3 3.2Å; W22-W67 HydrophobicContact CD2-CZ3 3.2Å; W22-W67 AromaticContact CE2-CH2 3.5Å; W22-W67 AromaticContact CE2-CZ3 3.19Å; W22-W67 HydrophobicContact CE3-CZ3 4.05Å; W22-W67 AromaticContact CG-CE3 3.72Å; W22-W67 HydrophobicContact CG-CE3 3.72Å; W22-W67 AromaticContact CG-CH2 3.3Å; W22-W67 HydrophobicContact CG-CH2 3.3Å; W22-W67 HydrophobicContact CG-CZ2 4.02Å; W22-W67 AromaticContact CG-CZ3 3.05Å; W22-W67 HydrophobicContact CG-CZ3 3.05Å; W22-W67 HydrophobicContact CZ2-CH2 4.39Å; W22-W67 AromaticContact CZ2-CZ3 3.93Å; W22-W67 HydrophobicContact CZ2-CZ3 3.93Å; W22-W67 AromaticContact NE1-CH2 2.86Å; W22-W67 AromaticContact NE1-CZ2 3.94Å; W22-W67 AromaticContact NE1-CZ3 3.12Å; D65-W67 HydrophobicContact CB-CD2 4.48Å; D65-W67 HydrophobicContact CB-CE3 4.2Å; D65-W67 HydrophobicContact CB-CH2 3.3Å; D65-W67 HydrophobicContact CB-CZ2 3.88Å; D65-W67 HydrophobicContact CB-CZ3 3.55Å; D65-W67 PolarHBondContact O-N 3.23Å; D65-W67 WeakPolarHBondContact OD1-CH2 3.43Å; D65-W67 WeakPolarHBondContact OD2-CH2 3.19Å; W67-V69 PolarHBondContact O-N 3.11Å
68I34.5Very low48.3Very low106 Ų106110.6 Ų110.654%0.54455%0.553SS.*  trans-84.390.1167.8-57.9177.5000109.9K64K64-I68 HydrophobicContact CB-CD1 4.46Å; K64-I68 HydrophobicContact CD-CD1 4.49Å
69V32.8Very low46.3Very low125 Ų125113 Ų11376%0.75857%0.57SS**  trans-150.893.7142.8-170.10000109.3W67W67-V69 PolarHBondContact O-N 3.11Å
70D30.7Very low43.8Very low123 Ų123117.5 Ų117.566%0.65860%0.596SS**  trans-100.695.5161.8-76.5-29000108K19 N72K19-D70 IonicContact NZ-OD1 2.59Å; K19-D70 PolarHBondContact NZ-OD1 2.8Å; K19-D70 IonicContact NZ-OD2 2.67Å; K19-D70 PolarHBondContact NZ-OD2 3.43Å; K19-D70 VanDerWaalsContact NZ-OD2 3.08Å; D70-N72 VanDerWaalsContact C-N 3.26Å
71R30.7Very low41.5Very low228 Ų228126.4 Ų126.486%0.8664%0.638SS**  trans-82.1-1.8169.7-160.9-178.7168.4178.2-1.9112.7
72N27Very low38.8Very low139 Ų139131.9 Ų131.974%0.74366%0.663SS**  trans-121.781.4-179.8-72.4-6.7000109.8D70 T74D70-N72 VanDerWaalsContact C-N 3.26Å; N72-T74 PolarHBondContact O-N 2.92Å
73G26.2Very low36.4Very low79 Ų79131.9 Ų131.981%0.81468%0.68SS**  trans-53.1109.7164.300000109.4
74T25.9Very low34.6Very low131 Ų131131.9 Ų131.980%0.80469%0.687SS**  trans-126.997.3159-46.80000106.1N72 R76N72-T74 PolarHBondContact O-N 2.92Å; T74-R76 PolarHBondContact O-N 3.08Å
75E21.1Very low32.4Very low162 Ų162134.1 Ų134.176%0.75770%0.703SS**  trans-50.5127.4170.4-63178.6162.400109.6
76R23.6Very low30.5Very low247 Ų247137 Ų13793%0.93272%0.723SS**  trans-123.9115.6150.8-160.8176.4-71.6-114.52.1108.6T74T74-R76 PolarHBondContact O-N 3.08Å
77R19.9Very low28.6Very low195 Ų195143.2 Ų143.274%0.73675%0.754SS**  trans-72166.2-173.4-64177174.1-166.1-4.4113.1
78T27.8Very low26.9Very low128 Ų128146.1 Ų146.179%0.78578%0.781SS**  trans92.4153.7151740000117.2
79P33Very low26.4Very low99 Ų99149.7 Ų149.764%0.64380%0.796SS**  -135.5164.7-55.635.5-19.9000112.1
80D23.9Very low25.9Very low144 Ų144153.6 Ų153.677%0.7780%0.797SS**  trans23.6120.5140.9-49-36.5000118.2
81Q28.6Very low25.9Very low192 Ų192154.6 Ų154.690%0.89781%0.808SS**  -179.6136.8101.7-94.7176.7-46.900111.3
82E22.3Very low25.6Very low197 Ų197151.7 Ų151.792%0.92180%0.804SS**  trans-59.3133.9-176.8-61.1167.9114.500112.5
83A26Very low25.8Very low98 Ų98150.7 Ų150.781%0.8181%0.808SS**  trans-111.3121.7163.500000107.9
84P28.9Very low26.5Very low121 Ų121152 Ų15279%0.78680%0.802SS**  trans-78.7137.2173.529.9-29.3000110.8
85D24.4Very low26.6Very low143 Ų143151.6 Ų151.677%0.76580%0.795SS**  trans-18.8131.4146.3-108.9-38.3000113.6
86T26.7Very low27.1Very low129 Ų129148.8 Ų148.879%0.79179%0.791SS**  -179.1120106.4-57.70000108.7
87L23.5Very low27.4Very low157 Ų157145.9 Ų145.982%0.82279%0.785SS**  trans-63.6142.3168.1-72.4152.9000111.5
88P28.6Very low28Very low125 Ų125141.8 Ų141.881%0.81278%0.782SS**  trans-117.1141.7149.424.4-8000112.6
89E23.2Very low28Very low181 Ų181144.8 Ų144.885%0.84679%0.786SS**  trans-52.9137.1-177.6-91.6172.896.700116.5
90R23Very low27.7Very low208 Ų208149.4 Ų149.479%0.78579%0.792SS**  32.2106122.1-173.6-179.7-107.8-135.7-2.2117
91T29.9Very low28Very low144 Ų144154 Ų15488%0.88380%0.799SS**  trans-136152.6141.243.80000110.9
92Q23.6Very low28.2Very low167 Ų167151 Ų15178%0.7879%0.788SS**  trans-92.3138.6-159-60.7167.17.500112.7
93S32.1Very low28.7Very low118 Ų118147.1 Ų147.183%0.82578%0.782SS**  trans65.7163.3152.9-137.20000118.3
94P40.4Very low29.4Very low106 Ų106147 Ų14769%0.68877%0.771SS**  cis-128.9171.4-9.734.2-14.5000114.5P96P94-P96 WeakPolarHBondContact O-CD 3.44Å
95N27.7Very low30.3Very low123 Ų123152.4 Ų152.466%0.65878%0.776SS**  trans-53133.3167.6-1760.2000113.8K97N95-K97 PolarHBondContact OD1-N 2.83Å
96P32Very low31.7Very low103 Ų103149.2 Ų149.267%0.66976%0.762SS**  trans-131.1125131.128.7-13000112.1P94 T98P94-P96 WeakPolarHBondContact O-CD 3.44Å; P96-T98 VanDerWaalsContact C-N 3.33Å; P96-T98 PolarHBondContact O-N 2.98Å
97K29.8Very low33.6Very low185 Ų185147.7 Ų147.780%0.80475%0.753SS**  trans-55.185.8173.3-61.7172-179.6173.80111N95 H99N95-K97 PolarHBondContact OD1-N 2.83Å; K97-H99 PolarHBondContact O-N 2.76Å
98T32.8Very low36.3Very low110 Ų110146.1 Ų146.168%0.67574%0.739SS**  trans-80.6114.2161.349.50000107.1P96 Y100P96-T98 VanDerWaalsContact C-N 3.33Å; P96-T98 PolarHBondContact O-N 2.98Å; T98-Y100 PolarHBondContact O-N 3.37Å
99H28.5Very low38.7Very low191 Ų191144.4 Ų144.488%0.88472%0.717SS**  trans-60.588.4168.7-96.8-92.3000108K97 R101K97-H99 PolarHBondContact O-N 2.76Å; H99-R101 PolarHBondContact O-N 3.08Å
100Y25.8Very low41.6Very low196 Ų196142.3 Ų142.377%0.76971%0.705SS**  trans-56.2110.9167.6-112.9-95.1000106.9T98 I102T98-Y100 PolarHBondContact O-N 3.37Å; Y100-I102 PolarHBondContact O-N 3.35Å
101R29.8Very low44.5Very low241 Ų241132.5 Ų132.591%0.90967%0.668SS**  trans-65.285.6160.7-91.6-178.9170.1166.8-2.2105.9H99 S103H99-R101 PolarHBondContact O-N 3.08Å; R101-S103 PolarHBondContact O-N 3.44Å
102I32.8Very low47.2Very low129 Ų129133.6 Ų133.666%0.66267%0.667SS**  trans-66.296.1168.9-51.6175.8000105.2Y100 T104Y100-I102 PolarHBondContact O-N 3.35Å; I102-T104 HydrophobicContact CB-CG2 4.38Å; I102-T104 HydrophobicContact CG2-CG2 3.48Å; I102-T104 VanDerWaalsContact CG2-CG2 3.48Å; I102-T104 PolarHBondContact O-N 3.3Å
103S32.5Very low50Low115 Ų115132.1 Ų132.180%0.80466%0.66SS**  trans-69.773.6165.3-165.90000106.6R101 R105R101-S103 PolarHBondContact O-N 3.44Å; S103-R105 PolarHBondContact O-N 3.05Å
104T42.3Very low52.7Low95 Ų95129.1 Ų129.158%0.58364%0.639SS**  trans-62111.1170.4510000105.8I102 V106I102-T104 HydrophobicContact CB-CG2 4.38Å; I102-T104 HydrophobicContact CG2-CG2 3.48Å; I102-T104 VanDerWaalsContact CG2-CG2 3.48Å; I102-T104 PolarHBondContact O-N 3.3Å; T104-V106 VanDerWaalsContact C-N 3.25Å; T104-V106 PolarHBondContact O-N 3.13Å
105R46.5Very low54.9Low234 Ų234125.7 Ų125.788%0.88362%0.623SS**  trans-52.299.9159.6-79.3-179.7176.9177.8-0.3105.9S103 T107S103-R105 PolarHBondContact O-N 3.05Å; R105-T107 VanDerWaalsContact C-N 3.29Å; R105-T107 PolarHBondContact O-N 3.34Å
106V54.5Low57.6Low76 Ų76125.6 Ų125.646%0.46162%0.616SS.*  trans-70.696.8175.9-179.30000105.4T104 F108 T119T104-V106 VanDerWaalsContact C-N 3.25Å; T104-V106 PolarHBondContact O-N 3.13Å; V106-F108 HydrophobicContact CB-CE2 4.07Å; V106-F108 HydrophobicContact CB-CZ 4.2Å; V106-F108 HydrophobicContact CG1-CD1 4.49Å; V106-F108 HydrophobicContact CG1-CD2 4.43Å; V106-F108 HydrophobicContact CG1-CE1 4.05Å; V106-F108 HydrophobicContact CG1-CE2 3.97Å; V106-F108 HydrophobicContact CG1-CZ 3.77Å; V106-F108 WeakPolarHBondContact O-CD2 3.33Å; V106-F108 VanDerWaalsContact O-CE2 3.27Å; V106-F108 WeakPolarHBondContact O-CE2 3.41Å; V106-F108 PolarHBondContact O-N 3.32Å; V106-T119 HydrophobicContact CG1-CG2 4.09Å
107T65.6Low60.2Low98 Ų98123.9 Ų123.960%0.60161%0.607SS**  trans-68.4122173.747.50000107.9R105R105-T107 VanDerWaalsContact C-N 3.29Å; R105-T107 PolarHBondContact O-N 3.34Å
108F80.9Confident62.5Low123 Ų123117.1 Ų117.154%0.53958%0.578SS.*  trans-100.3127.5178.8-66.9-87.9000109.9V106 K110 F118 T119V106-F108 HydrophobicContact CB-CE2 4.07Å; V106-F108 HydrophobicContact CB-CZ 4.2Å; V106-F108 HydrophobicContact CG1-CD1 4.49Å; V106-F108 HydrophobicContact CG1-CD2 4.43Å; V106-F108 HydrophobicContact CG1-CE1 4.05Å; V106-F108 HydrophobicContact CG1-CE2 3.97Å; V106-F108 HydrophobicContact CG1-CZ 3.77Å; V106-F108 WeakPolarHBondContact O-CD2 3.33Å; V106-F108 VanDerWaalsContact O-CE2 3.27Å; V106-F108 WeakPolarHBondContact O-CE2 3.41Å; V106-F108 PolarHBondContact O-N 3.32Å; F108-K110 PolarHBondContact O-N 3.42Å; F108-F118 CarbonylContact C-O 3.49Å; F108-F118 WeakPolarHBondContact CA-O 3.49Å; F108-T119 HydrophobicContact CD1-CG2 3.93Å; F108-T119 HydrophobicContact CE1-CG2 3.55Å; F108-T119 HydrophobicContact CZ-CG2 4.5Å
109Y79.9Confident64.9Low90 Ų90116 Ų11635%0.35357%0.571SS.*EExtended strand (participates in β ladder)trans-82.2113.6173.7-59.5-87.9000109.2S117 F118 L121Y109-S117 CarbonylContact O-C 3.56Å; Y109-S117 WeakPolarHBondContact O-CA 3.25Å; Y109-F118 PolarHBondContact N-O 3.07Å; Y109-F118 PolarHBondContact O-N 3.39Å; Y109-L121 HydrophobicContact CD1-CB 3.94Å; Y109-L121 HydrophobicContact CD1-CD1 3.7Å; Y109-L121 HydrophobicContact CD1-CG 4.34Å; Y109-L121 HydrophobicContact CD2-CB 4.24Å; Y109-L121 VanDerWaalsContact CD2-N 3.3Å; Y109-L121 HydrophobicContact CE1-CB 3.79Å; Y109-L121 HydrophobicContact CE1-CD1 4.09Å; Y109-L121 HydrophobicContact CE1-CD2 4.48Å; Y109-L121 HydrophobicContact CE1-CG 4.32Å; Y109-L121 HydrophobicContact CE2-CB 4.12Å; Y109-L121 HydrophobicContact CG-CB 4.16Å; Y109-L121 HydrophobicContact CG-CD1 4.27Å
110K83.1Confident67.4Low136 Ų136113.1 Ų113.159%0.59156%0.556SS**EExtended strand (participates in β ladder)trans-96.2132-175.3-168176.9178.9-176.80111.3F108 I112 G115 K116F108-K110 PolarHBondContact O-N 3.42Å; K110-I112 PolarHBondContact O-N 3.35Å; K110-G115 WeakPolarHBondContact CE-O 3.39Å; K110-K116 CarbonylContact C-O 3.58Å; K110-K116 WeakPolarHBondContact CA-O 3.27Å
111C84.5Confident70.1Confident2 Ų2106.5 Ų106.51%0.01453%0.533CS..  trans-72.3122.8168.7-178.10000109.6G115 K116 F118 L124 H127C111-G115 WeakPolarHBondContact O-CA 3.45Å; C111-G115 PolarHBondContact O-N 2.89Å; C111-K116 PolarHBondContact N-O 2.89Å; C111-F118 HydrophobicContact CB-CE2 4.4Å; C111-L124 HydrophobicContact CB-CD1 3.62Å; C111-H127 PolarHBondContact SG-NE2 3.05Å; C111-H127 VanDerWaalsContact SG-NE2 3.37Å
112I86.2Confident72.5Confident168 Ų16898.5 Ų98.586%0.86251%0.514SS*.THydrogen-bonded Turntrans-66.6-39.2-179.3-59.4172.4000110.7K110K110-I112 PolarHBondContact O-N 3.35Å
113E83Confident74.9Confident135 Ų135100.5 Ų100.563%0.63151%0.513SS*.THydrogen-bonded Turntrans-73.1-30.3-174.7-68.5-169.9-141.600114.9H131E113-H131 WeakPolarHBondContact OE1-CB 3.24Å; E113-H131 IonicContact OE1-CG 3.64Å; E113-H131 WeakPolarHBondContact OE2-CB 3.38Å; E113-H131 IonicContact OE2-CE1 3.84Å; E113-H131 IonicContact OE2-CG 3.69Å; E113-H131 IonicContact OE2-ND1 3.55Å; E113-H131 PolarHBondContact OE2-ND1 3.06Å
114C88.8Confident77.3Confident55 Ų5595.6 Ų95.637%0.37248%0.478SS..THydrogen-bonded Turntrans-129.63.7-178.481.90000114.9K116 H127C114-K116 PolarHBondContact O-N 3.12Å; C114-K116 VanDerWaalsContact O-N 3.12Å; C114-K116 WeakPolarHBondContact SG-CG 3.43Å; C114-H127 PolarHBondContact SG-NE2 3.45Å
115G85Confident79.3Confident34 Ų3496.5 Ų96.535%0.35147%0.474SS..  trans68.45.1178.600000116.2K110 C111K110-G115 WeakPolarHBondContact CE-O 3.39Å; C111-G115 WeakPolarHBondContact O-CA 3.45Å; C111-G115 PolarHBondContact O-N 2.89Å
116K85.5Confident81Confident121 Ų12187.2 Ų87.253%0.52644%0.443SS..  trans-72.7134.1-178.8-75.7178.3-175.3173.60111.2K110 C111 C114 F118K110-K116 CarbonylContact C-O 3.58Å; K110-K116 WeakPolarHBondContact CA-O 3.27Å; C111-K116 PolarHBondContact N-O 2.89Å; C114-K116 PolarHBondContact O-N 3.12Å; C114-K116 VanDerWaalsContact O-N 3.12Å; C114-K116 WeakPolarHBondContact SG-CG 3.43Å; K116-F118 HydrophobicContact CB-CE2 3.76Å; K116-F118 HydrophobicContact CB-CZ 3.96Å; K116-F118 WeakPolarHBondContact O-CE2 3.42Å
117S85.7Confident82.3Confident68 Ų6884.4 Ų84.448%0.47643%0.425SS..EExtended strand (participates in β ladder)trans-101.9138.9-179.2-70.10000111.8Y109Y109-S117 CarbonylContact O-C 3.56Å; Y109-S117 WeakPolarHBondContact O-CA 3.25Å
118F79.7Confident83.2Confident43 Ų4383.6 Ų83.619%0.18942%0.415CS..EExtended strand (participates in β ladder)trans-127.4142-177.9-60.6-89.9000110.5F108 Y109 C111 K116 K120 R123 L124 H127F108-F118 CarbonylContact C-O 3.49Å; F108-F118 WeakPolarHBondContact CA-O 3.49Å; Y109-F118 PolarHBondContact N-O 3.07Å; Y109-F118 PolarHBondContact O-N 3.39Å; C111-F118 HydrophobicContact CB-CE2 4.4Å; K116-F118 HydrophobicContact CB-CE2 3.76Å; K116-F118 HydrophobicContact CB-CZ 3.96Å; K116-F118 WeakPolarHBondContact O-CE2 3.42Å; F118-K120 VanDerWaalsContact C-N 3.25Å; F118-K120 PolarHBondContact O-N 3.15Å; F118-R123 HydrophobicContact CB-CB 4.26Å; F118-R123 HydrophobicContact CD1-CB 3.98Å; F118-R123 HydrophobicContact CG-CB 4.4Å; F118-L124 HydrophobicContact CB-CB 4.3Å; F118-L124 HydrophobicContact CD2-CB 3.96Å; F118-L124 HydrophobicContact CD2-CD1 3.71Å; F118-L124 HydrophobicContact CD2-CG 4.44Å; F118-L124 HydrophobicContact CE2-CD1 3.89Å; F118-L124 HydrophobicContact CG-CB 4.28Å; F118-H127 HydrophobicContact CE1-CB 3.9Å; F118-H127 HydrophobicContact CE2-CB 3.86Å; F118-H127 AromaticContact CE2-CD2 3.36Å; F118-H127 WeakPolarHBondContact CE2-CD2 3.5Å; F118-H127 AromaticContact CE2-CG 3.53Å; F118-H127 AromaticContact CE2-NE2 3.96Å; F118-H127 HydrophobicContact CZ-CB 3.43Å; F118-H127 VanDerWaalsContact CZ-CB 3.43Å; F118-H127 AromaticContact CZ-CD2 3.49Å; F118-H127 VanDerWaalsContact CZ-CD2 3.49Å; F118-H127 WeakPolarHBondContact CZ-CD2 3.46Å; F118-H127 AromaticContact CZ-CG 3.16Å; F118-H127 AromaticContact CZ-ND1 3.55Å; F118-H127 AromaticContact CZ-NE2 4Å
119T82.6Confident83.5Confident87 Ų8780.3 Ų80.353%0.53440%0.399SS..SBendtrans-76-10.5178.152.30000114V106 F108V106-T119 HydrophobicContact CG1-CG2 4.09Å; F108-T119 HydrophobicContact CD1-CG2 3.93Å; F108-T119 HydrophobicContact CE1-CG2 3.55Å; F108-T119 HydrophobicContact CZ-CG2 4.5Å
120K80.8Confident83.6Confident129 Ų12980.9 Ų80.956%0.56141%0.407SS*.SBendtrans-138134.5-179.6-63.2-171.5176.9-167.50110.1F118 S122 R123 L124F118-K120 VanDerWaalsContact C-N 3.25Å; F118-K120 PolarHBondContact O-N 3.15Å; K120-S122 VanDerWaalsContact C-N 3.27Å; K120-S122 PolarHBondContact O-N 3.28Å; K120-R123 HydrophobicContact CB-CB 4.46Å; K120-R123 HydrophobicContact CB-CG 4.11Å; K120-R123 WeakPolarHBondContact O-CB 3.36Å; K120-R123 PolarHBondContact O-N 2.78Å; K120-L124 PolarHBondContact O-N 3.21Å
121L82.1Confident83.8Confident57 Ų5777.5 Ų77.530%0.29839%0.393SS..Hα-helixtrans-57.5-40.1177-17859.8000112.1Y109 R123 L124 K125Y109-L121 HydrophobicContact CD1-CB 3.94Å; Y109-L121 HydrophobicContact CD1-CD1 3.7Å; Y109-L121 HydrophobicContact CD1-CG 4.34Å; Y109-L121 HydrophobicContact CD2-CB 4.24Å; Y109-L121 VanDerWaalsContact CD2-N 3.3Å; Y109-L121 HydrophobicContact CE1-CB 3.79Å; Y109-L121 HydrophobicContact CE1-CD1 4.09Å; Y109-L121 HydrophobicContact CE1-CD2 4.48Å; Y109-L121 HydrophobicContact CE1-CG 4.32Å; Y109-L121 HydrophobicContact CE2-CB 4.12Å; Y109-L121 HydrophobicContact CG-CB 4.16Å; Y109-L121 HydrophobicContact CG-CD1 4.27Å; L121-R123 PolarHBondContact O-N 3.24Å; L121-L124 HydrophobicContact CD1-CD2 4.28Å; L121-L124 CarbonylContact O-C 3.41Å; L121-L124 WeakPolarHBondContact O-CA 3.26Å; L121-L124 WeakPolarHBondContact O-CB 3.35Å; L121-L124 PolarHBondContact O-N 3.28Å; L121-K125 HydrophobicContact CD1-CG 4.49Å; L121-K125 HydrophobicContact CG-CG 4.41Å; L121-K125 PolarHBondContact O-N 3.07Å
122S81.4Confident84Confident73 Ų7382 Ų8251%0.5142%0.421SS..Hα-helixtrans-58.4-33176.359.60000113.2K120 V126K120-S122 VanDerWaalsContact C-N 3.27Å; K120-S122 PolarHBondContact O-N 3.28Å; S122-V126 WeakPolarHBondContact O-CB 3.48Å; S122-V126 VanDerWaalsContact O-CG2 3.22Å; S122-V126 WeakPolarHBondContact O-CG2 3.33Å; S122-V126 PolarHBondContact O-N 3.45Å; S122-V126 VanDerWaalsContact O-N 3.15Å
123R82.6Confident83.9Confident171 Ų17175.8 Ų75.865%0.64540%0.398SS*.Hα-helixtrans-74.2-37.1174.8-65.3-67.7-175.7152.10.2111.6F118 K120 L121 H127F118-R123 HydrophobicContact CB-CB 4.26Å; F118-R123 HydrophobicContact CD1-CB 3.98Å; F118-R123 HydrophobicContact CG-CB 4.4Å; K120-R123 HydrophobicContact CB-CB 4.46Å; K120-R123 HydrophobicContact CB-CG 4.11Å; K120-R123 WeakPolarHBondContact O-CB 3.36Å; K120-R123 PolarHBondContact O-N 2.78Å; L121-R123 PolarHBondContact O-N 3.24Å; R123-H127 VanDerWaalsContact O-CB 3.28Å; R123-H127 WeakPolarHBondContact O-CB 3.19Å; R123-H127 PolarHBondContact O-N 3.03Å
124L83Confident84Confident13 Ų1372.9 Ų72.97%0.06839%0.387CS..Hα-helixtrans-62.9-50.2171.517563.4000111.1C111 F118 K120 L121 V126 H127 Q128C111-L124 HydrophobicContact CB-CD1 3.62Å; F118-L124 HydrophobicContact CB-CB 4.3Å; F118-L124 HydrophobicContact CD2-CB 3.96Å; F118-L124 HydrophobicContact CD2-CD1 3.71Å; F118-L124 HydrophobicContact CD2-CG 4.44Å; F118-L124 HydrophobicContact CE2-CD1 3.89Å; F118-L124 HydrophobicContact CG-CB 4.28Å; K120-L124 PolarHBondContact O-N 3.21Å; L121-L124 HydrophobicContact CD1-CD2 4.28Å; L121-L124 CarbonylContact O-C 3.41Å; L121-L124 WeakPolarHBondContact O-CA 3.26Å; L121-L124 WeakPolarHBondContact O-CB 3.35Å; L121-L124 PolarHBondContact O-N 3.28Å; L124-V126 VanDerWaalsContact C-N 3.29Å; L124-V126 PolarHBondContact O-N 2.86Å; L124-H127 CarbonylContact O-C 3.51Å; L124-H127 WeakPolarHBondContact O-CA 3.43Å; L124-H127 VanDerWaalsContact O-CB 3.32Å; L124-H127 WeakPolarHBondContact O-CB 3.24Å; L124-H127 PolarHBondContact O-N 3.16Å; L124-Q128 HydrophobicContact CD1-CG 4.14Å; L124-Q128 HydrophobicContact CG-CG 4.35Å; L124-Q128 WeakPolarHBondContact O-CG 3.36Å; L124-Q128 PolarHBondContact O-N 3.05Å
125K84.4Confident84Confident114 Ų11475.2 Ų75.250%0.49639%0.391SS..Hα-helixtrans-54-46.1177.8-72.5-174.9178.1-176.40111.6L121 H127 Q128L121-K125 HydrophobicContact CD1-CG 4.49Å; L121-K125 HydrophobicContact CG-CG 4.41Å; L121-K125 PolarHBondContact O-N 3.07Å; K125-H127 VanDerWaalsContact C-N 3.33Å; K125-H127 PolarHBondContact O-N 3.38Å; K125-Q128 PolarHBondContact O-N 2.9Å
126V81.5Confident84Confident39 Ų3976.7 Ų76.724%0.23639%0.394CS..Hα-helixtrans-67.1-34.6176.31730000112.1S122 L124 R129 H148S122-V126 WeakPolarHBondContact O-CB 3.48Å; S122-V126 VanDerWaalsContact O-CG2 3.22Å; S122-V126 WeakPolarHBondContact O-CG2 3.33Å; S122-V126 PolarHBondContact O-N 3.45Å; S122-V126 VanDerWaalsContact O-N 3.15Å; L124-V126 VanDerWaalsContact C-N 3.29Å; L124-V126 PolarHBondContact O-N 2.86Å; V126-R129 WeakPolarHBondContact O-CB 3.35Å; V126-R129 PolarHBondContact O-N 3.26Å; V126-H148 WeakPolarHBondContact CG1-CE1 3.35Å
127H82.7Confident84.1Confident17 Ų1774.8 Ų74.88%0.07938%0.384CS..Hα-helixtrans-68.3-37.6174166.573.2000112.7C111 C114 F118 R123 L124 K125 R129 L130 H131C111-H127 PolarHBondContact SG-NE2 3.05Å; C111-H127 VanDerWaalsContact SG-NE2 3.37Å; C114-H127 PolarHBondContact SG-NE2 3.45Å; F118-H127 HydrophobicContact CE1-CB 3.9Å; F118-H127 HydrophobicContact CE2-CB 3.86Å; F118-H127 AromaticContact CE2-CD2 3.36Å; F118-H127 WeakPolarHBondContact CE2-CD2 3.5Å; F118-H127 AromaticContact CE2-CG 3.53Å; F118-H127 AromaticContact CE2-NE2 3.96Å; F118-H127 HydrophobicContact CZ-CB 3.43Å; F118-H127 VanDerWaalsContact CZ-CB 3.43Å; F118-H127 AromaticContact CZ-CD2 3.49Å; F118-H127 VanDerWaalsContact CZ-CD2 3.49Å; F118-H127 WeakPolarHBondContact CZ-CD2 3.46Å; F118-H127 AromaticContact CZ-CG 3.16Å; F118-H127 AromaticContact CZ-ND1 3.55Å; F118-H127 AromaticContact CZ-NE2 4Å; R123-H127 VanDerWaalsContact O-CB 3.28Å; R123-H127 WeakPolarHBondContact O-CB 3.19Å; R123-H127 PolarHBondContact O-N 3.03Å; L124-H127 CarbonylContact O-C 3.51Å; L124-H127 WeakPolarHBondContact O-CA 3.43Å; L124-H127 VanDerWaalsContact O-CB 3.32Å; L124-H127 WeakPolarHBondContact O-CB 3.24Å; L124-H127 PolarHBondContact O-N 3.16Å; K125-H127 VanDerWaalsContact C-N 3.33Å; K125-H127 PolarHBondContact O-N 3.38Å; H127-R129 PolarHBondContact O-N 3.24Å; H127-L130 WeakPolarHBondContact O-CA 3.35Å; H127-L130 WeakPolarHBondContact O-CB 3.46Å; H127-L130 VanDerWaalsContact O-CG 3.31Å; H127-L130 WeakPolarHBondContact O-CG 3.2Å; H127-L130 PolarHBondContact O-N 3.28Å; H127-H131 AromaticContact CE1-NE2 3.87Å; H127-H131 AromaticContact NE2-CD2 3.96Å; H127-H131 AromaticContact NE2-NE2 3.54Å
128Q84.4Confident84.2Confident81 Ų8177.6 Ų77.638%0.37939%0.388SS..Hα-helixtrans-59.8-26.1176.7-74.3170.9-43.200112.3L124 K125 L130 H131 T132L124-Q128 HydrophobicContact CD1-CG 4.14Å; L124-Q128 HydrophobicContact CG-CG 4.35Å; L124-Q128 WeakPolarHBondContact O-CG 3.36Å; L124-Q128 PolarHBondContact O-N 3.05Å; K125-Q128 PolarHBondContact O-N 2.9Å; Q128-L130 PolarHBondContact O-N 2.85Å; Q128-L130 VanDerWaalsContact O-N 3.08Å; Q128-H131 WeakPolarHBondContact O-CB 3.31Å; Q128-H131 PolarHBondContact O-N 3Å; Q128-T132 PolarHBondContact O-N 2.87Å; Q128-T132 VanDerWaalsContact O-N 3.12Å
129R85.9Confident84.7Confident53 Ų5375.8 Ų75.820%0.238%0.381CS..Hα-helixtrans-60.5-17.3169.2-56.7180-176.9161.42.1113.7V126 H127 H131 G133 D134 K147V126-R129 WeakPolarHBondContact O-CB 3.35Å; V126-R129 PolarHBondContact O-N 3.26Å; H127-R129 PolarHBondContact O-N 3.24Å; R129-H131 VanDerWaalsContact C-N 3.29Å; R129-G133 PolarHBondContact O-N 3.35Å; R129-D134 HydrophobicContact CB-CB 4.45Å; R129-D134 HydrophobicContact CG-CB 4.31Å; R129-D134 IonicContact NE-OD2 3.08Å; R129-K147 HydrophobicContact CB-CD 4.33Å; R129-K147 PolarHBondContact NH1-O 3.31Å; R129-K147 WeakPolarHBondContact O-CE 3.38Å; R129-K147 PolarHBondContact O-NZ 3.18Å
130L83.4Confident85Confident102 Ų10279.3 Ų79.353%0.53440%0.396SS..Hα-helixtrans-64.8-37.7170.4-64.5-175.7000111.9H127 Q128 K147H127-L130 WeakPolarHBondContact O-CA 3.35Å; H127-L130 WeakPolarHBondContact O-CB 3.46Å; H127-L130 VanDerWaalsContact O-CG 3.31Å; H127-L130 WeakPolarHBondContact O-CG 3.2Å; H127-L130 PolarHBondContact O-N 3.28Å; Q128-L130 PolarHBondContact O-N 2.85Å; Q128-L130 VanDerWaalsContact O-N 3.08Å; L130-K147 VanDerWaalsContact CA-NZ 3.34Å; L130-K147 HydrophobicContact CD2-CD 4.01Å
131H87.5Confident85.3Confident65 Ų6578.5 Ų78.530%0.30139%0.394SS..Hα-helixtrans-84.1-52.4-175.7-69.3-76.6000112.4E113 H127 Q128 R129 G133E113-H131 WeakPolarHBondContact OE1-CB 3.24Å; E113-H131 IonicContact OE1-CG 3.64Å; E113-H131 WeakPolarHBondContact OE2-CB 3.38Å; E113-H131 IonicContact OE2-CE1 3.84Å; E113-H131 IonicContact OE2-CG 3.69Å; E113-H131 IonicContact OE2-ND1 3.55Å; E113-H131 PolarHBondContact OE2-ND1 3.06Å; H127-H131 AromaticContact CE1-NE2 3.87Å; H127-H131 AromaticContact NE2-CD2 3.96Å; H127-H131 AromaticContact NE2-NE2 3.54Å; Q128-H131 WeakPolarHBondContact O-CB 3.31Å; Q128-H131 PolarHBondContact O-N 3Å; R129-H131 VanDerWaalsContact C-N 3.29Å; H131-G133 PolarHBondContact O-N 3.4Å; H131-G133 VanDerWaalsContact O-N 3.15Å
132T87Confident85.7Confident96 Ų9678.3 Ų78.359%0.58940%0.397SS*.Hα-helixtrans-69.6-14.4-179.462.30000113.4Q128 D134Q128-T132 PolarHBondContact O-N 2.87Å; Q128-T132 VanDerWaalsContact O-N 3.12Å; T132-D134 PolarHBondContact O-N 3.24Å; T132-D134 VanDerWaalsContact OG1-CB 3.25Å; T132-D134 WeakPolarHBondContact OG1-CB 3.47Å; T132-D134 PolarHBondContact OG1-N 2.81Å
133G84.1Confident86Confident38 Ų3876.4 Ų76.439%0.39239%0.39SS..  trans722-172.600000114R129 H131 K135R129-G133 PolarHBondContact O-N 3.35Å; H131-G133 PolarHBondContact O-N 3.4Å; H131-G133 VanDerWaalsContact O-N 3.15Å; G133-K135 WeakPolarHBondContact O-CG 3.28Å
134D86.7Confident86.4Confident74 Ų7474.2 Ų74.240%0.39639%0.385SS..  trans-57134-177.217832.2000112.1R129 T132 K147R129-D134 HydrophobicContact CB-CB 4.45Å; R129-D134 HydrophobicContact CG-CB 4.31Å; R129-D134 IonicContact NE-OD2 3.08Å; T132-D134 PolarHBondContact O-N 3.24Å; T132-D134 VanDerWaalsContact OG1-CB 3.25Å; T132-D134 WeakPolarHBondContact OG1-CB 3.47Å; T132-D134 PolarHBondContact OG1-N 2.81Å; D134-K147 WeakPolarHBondContact O-CG 3.46Å
135K87.9Confident86.7Confident104 Ų10475.9 Ų75.945%0.45240%0.398SS..  trans-14175.4-175.1-71.7171.7-164.5174.50108.4G133 Y137 S145 F146 K147G133-K135 WeakPolarHBondContact O-CG 3.28Å; K135-Y137 PolarHBondContact O-N 3.45Å; K135-S145 WeakPolarHBondContact CD-O 3.38Å; K135-S145 VanDerWaalsContact O-CB 3.31Å; K135-S145 WeakPolarHBondContact O-CB 3.42Å; K135-F146 CarbonylContact C-O 3.55Å; K135-F146 WeakPolarHBondContact CA-O 3.37Å; K135-K147 HydrophobicContact CG-CG 3.84Å
136P85.7Confident86.9Confident65 Ų6572.5 Ų72.542%0.42238%0.383SS..  trans-68.9-21.4-171.324.4-32.3000113
137Y87.5Confident87Confident81 Ų8172.8 Ų72.832%0.31838%0.381SS..EExtended strand (participates in β ladder)trans-96.5104.2-174.2-52.9-78.2000111.6K135 S145 F146 K147 H148 L149 V152K135-Y137 PolarHBondContact O-N 3.45Å; Y137-S145 CarbonylContact O-C 3.55Å; Y137-S145 WeakPolarHBondContact O-CA 3.41Å; Y137-F146 PolarHBondContact N-O 2.79Å; Y137-F146 VanDerWaalsContact N-O 3.15Å; Y137-F146 PolarHBondContact O-N 3.4Å; Y137-K147 WeakPolarHBondContact CE2-O 3.29Å; Y137-H148 VanDerWaalsContact CD2-C 3.45Å; Y137-L149 HydrophobicContact CD1-CB 4.01Å; Y137-L149 HydrophobicContact CD1-CD1 3.87Å; Y137-L149 HydrophobicContact CE1-CB 3.89Å; Y137-L149 HydrophobicContact CE1-CD1 4.26Å; Y137-L149 HydrophobicContact CE2-CB 4.48Å; Y137-L149 HydrophobicContact CG-CB 4.35Å; Y137-V152 HydrophobicContact CG-CG2 4.48Å; Y137-V152 WeakPolarHBondContact O-CG2 3.29Å
138K88.4Confident87.2Confident128 Ų12876 Ų7656%0.55740%0.396SS*.EExtended strand (participates in β ladder)trans-94.9141.5-179.5-168.3175.4176.9-176.70112G143 K144K138-G143 WeakPolarHBondContact CE-O 3.35Å; K138-K144 CarbonylContact C-O 3.53Å
139C90Very high87.3Confident5 Ų577.4 Ų77.43%0.03441%0.406CS..  trans-83.6123.6167.2178.60000109.5E141 G143 K144 F146C139-E141 VanDerWaalsContact C-N 3.31Å; C139-E141 PolarHBondContact O-N 3.04Å; C139-G143 WeakPolarHBondContact O-CA 3.19Å; C139-G143 PolarHBondContact O-N 2.9Å; C139-K144 WeakPolarHBondContact CB-O 3.44Å; C139-K144 PolarHBondContact N-O 3.35Å; C139-F146 HydrophobicContact CB-CE2 4.27Å
140N87.7Confident87.3Confident160 Ų16078.4 Ų78.486%0.85642%0.42SS*.THydrogen-bonded Turntrans-70.6-26.1-176.5-65.1-12.2000113.3
141E86.8Confident87.6Confident112 Ų11275.7 Ų75.752%0.52341%0.41SS..THydrogen-bonded Turntrans-80.4-36.6-177.1-67.7-179.8-133.900114.1C139 H156 H159C139-E141 VanDerWaalsContact C-N 3.31Å; C139-E141 PolarHBondContact O-N 3.04Å; E141-H156 IonicContact OE1-CE1 2.85Å; E141-H156 PolarHBondContact OE1-CE1 3.37Å; E141-H156 IonicContact OE1-ND1 3.08Å; E141-H156 PolarHBondContact OE1-ND1 3.29Å; E141-H156 VanDerWaalsContact OE1-ND1 3.15Å; E141-H159 WeakPolarHBondContact OE2-CB 3.38Å; E141-H159 IonicContact OE2-CD2 2.93Å; E141-H159 IonicContact OE2-CE1 3.97Å; E141-H159 IonicContact OE2-CG 2.71Å; E141-H159 IonicContact OE2-ND1 2.86Å; E141-H159 PolarHBondContact OE2-ND1 3.12Å
142C91.4Very high87.8Confident53 Ų5373.5 Ų73.536%0.35840%0.401SS..THydrogen-bonded Turntrans-122.93.6-178.8690000114.6K144 H155 H159C142-K144 PolarHBondContact O-N 3.16Å; C142-K144 VanDerWaalsContact O-N 3.11Å; C142-K144 VanDerWaalsContact SG-CG 3.56Å; C142-H155 PolarHBondContact SG-NE2 3.39Å; C142-H159 PolarHBondContact SG-NE2 3.19Å; C142-H159 VanDerWaalsContact SG-NE2 3.44Å
143G88.1Confident87.9Confident34 Ų3476.1 Ų76.135%0.35140%0.404SS..  trans69.81.9179.500000115.5K138 C139 S145K138-G143 WeakPolarHBondContact CE-O 3.35Å; C139-G143 WeakPolarHBondContact O-CA 3.19Å; C139-G143 PolarHBondContact O-N 2.9Å; G143-S145 PolarHBondContact O-N 3.28Å
144K89.9Confident88.2Confident124 Ų12476.7 Ų76.754%0.53940%0.398SS..  trans-69.4130.8-179.2-72.3178.2-174.9170.10111.3K138 C139 C142 F146K138-K144 CarbonylContact C-O 3.53Å; C139-K144 WeakPolarHBondContact CB-O 3.44Å; C139-K144 PolarHBondContact N-O 3.35Å; C142-K144 PolarHBondContact O-N 3.16Å; C142-K144 VanDerWaalsContact O-N 3.11Å; C142-K144 VanDerWaalsContact SG-CG 3.56Å; K144-F146 HydrophobicContact CB-CE2 3.8Å; K144-F146 HydrophobicContact CB-CZ 4.07Å; K144-F146 WeakPolarHBondContact O-CD2 3.38Å; K144-F146 VanDerWaalsContact O-CE2 3.22Å; K144-F146 WeakPolarHBondContact O-CE2 3.41Å
145S90.8Very high88.5Confident49 Ų4974 Ų7434%0.34338%0.383SS..EExtended strand (participates in β ladder)trans-101.2150178-51.80000113.3K135 Y137 G143K135-S145 WeakPolarHBondContact CD-O 3.38Å; K135-S145 VanDerWaalsContact O-CB 3.31Å; K135-S145 WeakPolarHBondContact O-CB 3.42Å; Y137-S145 CarbonylContact O-C 3.55Å; Y137-S145 WeakPolarHBondContact O-CA 3.41Å; G143-S145 PolarHBondContact O-N 3.28Å
146F87Confident88.6Confident43 Ų4373 Ų7319%0.18938%0.38CS..EExtended strand (participates in β ladder)trans-136.6152.4-174-59.3-96.8000111.5K135 Y137 C139 K144 V152 H155K135-F146 CarbonylContact C-O 3.55Å; K135-F146 WeakPolarHBondContact CA-O 3.37Å; Y137-F146 PolarHBondContact N-O 2.79Å; Y137-F146 VanDerWaalsContact N-O 3.15Å; Y137-F146 PolarHBondContact O-N 3.4Å; C139-F146 HydrophobicContact CB-CE2 4.27Å; K144-F146 HydrophobicContact CB-CE2 3.8Å; K144-F146 HydrophobicContact CB-CZ 4.07Å; K144-F146 WeakPolarHBondContact O-CD2 3.38Å; K144-F146 VanDerWaalsContact O-CE2 3.22Å; K144-F146 WeakPolarHBondContact O-CE2 3.41Å; F146-V152 HydrophobicContact CB-CG2 3.7Å; F146-V152 HydrophobicContact CD2-CB 4.36Å; F146-V152 HydrophobicContact CD2-CG2 3.58Å; F146-V152 HydrophobicContact CE2-CG2 4.49Å; F146-V152 HydrophobicContact CG-CG2 3.85Å; F146-H155 HydrophobicContact CE1-CB 3.87Å; F146-H155 HydrophobicContact CE2-CB 4.04Å; F146-H155 AromaticContact CE2-CD2 3.42Å; F146-H155 VanDerWaalsContact CE2-CD2 3.42Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.4Å; F146-H155 AromaticContact CE2-CG 3.73Å; F146-H155 HydrophobicContact CZ-CB 3.45Å; F146-H155 VanDerWaalsContact CZ-CB 3.45Å; F146-H155 AromaticContact CZ-CD2 3.37Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.47Å; F146-H155 AromaticContact CZ-CG 3.19Å; F146-H155 AromaticContact CZ-ND1 3.71Å; F146-H155 AromaticContact CZ-NE2 3.92Å
147K85Confident88.9Confident45 Ų4572 Ų7220%0.19637%0.368CS..SBendtrans-77.5-22-179.5-53.8-165.6178.6-167.40113.8R129 L130 D134 K135 Y137R129-K147 HydrophobicContact CB-CD 4.33Å; R129-K147 PolarHBondContact NH1-O 3.31Å; R129-K147 WeakPolarHBondContact O-CE 3.38Å; R129-K147 PolarHBondContact O-NZ 3.18Å; L130-K147 VanDerWaalsContact CA-NZ 3.34Å; L130-K147 HydrophobicContact CD2-CD 4.01Å; D134-K147 WeakPolarHBondContact O-CG 3.46Å; K135-K147 HydrophobicContact CG-CG 3.84Å; Y137-K147 WeakPolarHBondContact CE2-O 3.29Å
148H85.1Confident89Confident84 Ų8473.8 Ų73.839%0.38938%0.382SS..SBendtrans-134.3140.7-177.9-57.4-93.8000111.1V126 Y137 S150 S151 V152V126-H148 WeakPolarHBondContact CG1-CE1 3.35Å; Y137-H148 VanDerWaalsContact CD2-C 3.45Å; H148-S150 VanDerWaalsContact C-N 3.28Å; H148-S150 PolarHBondContact O-N 3.45Å; H148-S151 VanDerWaalsContact O-CB 3.31Å; H148-S151 WeakPolarHBondContact O-CB 3.42Å; H148-S151 PolarHBondContact O-N 3.47Å; H148-V152 PolarHBondContact O-N 3.22Å
149L86.9Confident89.2Confident111 Ų11171 Ų7158%0.58137%0.371SS*.Hα-helixtrans-58.5-38.6175.2-173.862.8000112.7Y137 S151 V152 K153Y137-L149 HydrophobicContact CD1-CB 4.01Å; Y137-L149 HydrophobicContact CD1-CD1 3.87Å; Y137-L149 HydrophobicContact CE1-CB 3.89Å; Y137-L149 HydrophobicContact CE1-CD1 4.26Å; Y137-L149 HydrophobicContact CE2-CB 4.48Å; Y137-L149 HydrophobicContact CG-CB 4.35Å; L149-S151 PolarHBondContact O-N 3.38Å; L149-V152 WeakPolarHBondContact O-CB 3.41Å; L149-V152 PolarHBondContact O-N 2.72Å; L149-V152 VanDerWaalsContact O-N 3.08Å; L149-K153 PolarHBondContact O-N 3.5Å
150S87.2Confident89.2Confident73 Ų7374.6 Ų74.651%0.5139%0.392SS..Hα-helixtrans-58.9-32175.760.20000112.8H148 I154H148-S150 VanDerWaalsContact C-N 3.28Å; H148-S150 PolarHBondContact O-N 3.45Å; S150-I154 WeakPolarHBondContact O-CD1 3.46Å; S150-I154 VanDerWaalsContact O-CG1 3.28Å; S150-I154 WeakPolarHBondContact O-CG1 3.49Å; S150-I154 PolarHBondContact O-N 3.08Å; S150-I154 VanDerWaalsContact O-N 3.1Å
151S90Very high89.4Confident45 Ų4569.1 Ų69.132%0.31537%0.374SS..Hα-helixtrans-72.2-38.7176.6-61.10000111.6H148 L149 I154 H155H148-S151 VanDerWaalsContact O-CB 3.31Å; H148-S151 WeakPolarHBondContact O-CB 3.42Å; H148-S151 PolarHBondContact O-N 3.47Å; L149-S151 PolarHBondContact O-N 3.38Å; S151-I154 PolarHBondContact O-N 3.17Å; S151-H155 VanDerWaalsContact O-CB 3.24Å; S151-H155 WeakPolarHBondContact O-CB 3.48Å; S151-H155 PolarHBondContact O-N 2.88Å
152V90.1Very high89.7Confident19 Ų1970.5 Ų70.512%0.11538%0.376CS..Hα-helixtrans-61.6-47.4171.5-173.20000110.5Y137 F146 H148 L149 I154 H155 H156Y137-V152 HydrophobicContact CG-CG2 4.48Å; Y137-V152 WeakPolarHBondContact O-CG2 3.29Å; F146-V152 HydrophobicContact CB-CG2 3.7Å; F146-V152 HydrophobicContact CD2-CB 4.36Å; F146-V152 HydrophobicContact CD2-CG2 3.58Å; F146-V152 HydrophobicContact CE2-CG2 4.49Å; F146-V152 HydrophobicContact CG-CG2 3.85Å; H148-V152 PolarHBondContact O-N 3.22Å; L149-V152 WeakPolarHBondContact O-CB 3.41Å; L149-V152 PolarHBondContact O-N 2.72Å; L149-V152 VanDerWaalsContact O-N 3.08Å; V152-I154 VanDerWaalsContact C-N 3.29Å; V152-I154 PolarHBondContact O-N 3.22Å; V152-H155 CarbonylContact O-C 3.56Å; V152-H155 WeakPolarHBondContact O-CA 3.45Å; V152-H155 WeakPolarHBondContact O-CB 2.93Å; V152-H155 PolarHBondContact O-N 3.46Å; V152-H156 PolarHBondContact O-N 2.83Å
153K90.3Very high89.8Confident151 Ų15173.4 Ų73.466%0.65738%0.382SS*.Hα-helixtrans-58.7-40.8-179.7-165170.9-162.6170.10112.1L149L149-K153 PolarHBondContact O-N 3.5Å
154I89.9Confident90Very high50 Ų5074 Ų7426%0.25638%0.38SS..Hα-helixtrans-72.4-35.4175-62.3163000111.3S150 S151 V152 R157 K176S150-I154 WeakPolarHBondContact O-CD1 3.46Å; S150-I154 VanDerWaalsContact O-CG1 3.28Å; S150-I154 WeakPolarHBondContact O-CG1 3.49Å; S150-I154 PolarHBondContact O-N 3.08Å; S150-I154 VanDerWaalsContact O-N 3.1Å; S151-I154 PolarHBondContact O-N 3.17Å; V152-I154 VanDerWaalsContact C-N 3.29Å; V152-I154 PolarHBondContact O-N 3.22Å; I154-R157 VanDerWaalsContact O-CB 3.26Å; I154-R157 WeakPolarHBondContact O-CB 3.35Å; I154-R157 PolarHBondContact O-N 3.06Å; I154-K176 HydrophobicContact CG2-CD 4.23Å; I154-K176 VanDerWaalsContact CG2-CE 3.41Å; I154-K176 HydrophobicContact CG2-CG 3.79Å
155H91.9Very high90.3Very high18 Ų1871.9 Ų71.98%0.08337%0.369CS..Hα-helixtrans-65.6-41176.8168.963.6000112.5C142 F146 S151 V152 R157 L158 H159C142-H155 PolarHBondContact SG-NE2 3.39Å; F146-H155 HydrophobicContact CE1-CB 3.87Å; F146-H155 HydrophobicContact CE2-CB 4.04Å; F146-H155 AromaticContact CE2-CD2 3.42Å; F146-H155 VanDerWaalsContact CE2-CD2 3.42Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.4Å; F146-H155 AromaticContact CE2-CG 3.73Å; F146-H155 HydrophobicContact CZ-CB 3.45Å; F146-H155 VanDerWaalsContact CZ-CB 3.45Å; F146-H155 AromaticContact CZ-CD2 3.37Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.47Å; F146-H155 AromaticContact CZ-CG 3.19Å; F146-H155 AromaticContact CZ-ND1 3.71Å; F146-H155 AromaticContact CZ-NE2 3.92Å; S151-H155 VanDerWaalsContact O-CB 3.24Å; S151-H155 WeakPolarHBondContact O-CB 3.48Å; S151-H155 PolarHBondContact O-N 2.88Å; V152-H155 CarbonylContact O-C 3.56Å; V152-H155 WeakPolarHBondContact O-CA 3.45Å; V152-H155 WeakPolarHBondContact O-CB 2.93Å; V152-H155 PolarHBondContact O-N 3.46Å; H155-R157 PolarHBondContact O-N 3.38Å; H155-R157 VanDerWaalsContact O-N 3.13Å; H155-L158 WeakPolarHBondContact O-CB 3.45Å; H155-L158 WeakPolarHBondContact O-CG 3.32Å; H155-L158 PolarHBondContact O-N 3.14Å; H155-H159 AromaticContact CE1-NE2 3.68Å; H155-H159 AromaticContact NE2-CD2 3.87Å; H155-H159 AromaticContact NE2-NE2 3.37Å; H155-H159 PolarHBondContact NE2-NE2 3.38Å
156H90.8Very high90.6Very high82 Ų8275.4 Ų75.438%0.3838%0.378SS..Hα-helixtrans-59.5-24.6176.7-176.868.4000112.7E141 V152 L158 H159 T160E141-H156 IonicContact OE1-CE1 2.85Å; E141-H156 PolarHBondContact OE1-CE1 3.37Å; E141-H156 IonicContact OE1-ND1 3.08Å; E141-H156 PolarHBondContact OE1-ND1 3.29Å; E141-H156 VanDerWaalsContact OE1-ND1 3.15Å; V152-H156 PolarHBondContact O-N 2.83Å; H156-L158 PolarHBondContact O-N 2.76Å; H156-H159 WeakPolarHBondContact O-CB 3.45Å; H156-H159 PolarHBondContact O-N 2.88Å; H156-T160 PolarHBondContact O-N 3.26Å; H156-T160 VanDerWaalsContact O-N 3.16Å; H156-T160 PolarHBondContact O-OG1 3.42Å
157R92.3Very high91Very high45 Ų4573.4 Ų73.417%0.1737%0.37CS..Hα-helixtrans-61.9-20.5170.5-59.8178.9-173.6172.3-3.2114I154 H155 G161 Y162 T175I154-R157 VanDerWaalsContact O-CB 3.26Å; I154-R157 WeakPolarHBondContact O-CB 3.35Å; I154-R157 PolarHBondContact O-N 3.06Å; H155-R157 PolarHBondContact O-N 3.38Å; H155-R157 VanDerWaalsContact O-N 3.13Å; R157-G161 CarbonylContact O-C 3.41Å; R157-G161 WeakPolarHBondContact O-CA 3.43Å; R157-G161 PolarHBondContact O-N 3.25Å; R157-Y162 WeakPolarHBondContact CB-O 3.49Å; R157-Y162 HydrophobicContact CG-CD1 4.31Å; R157-Y162 PolarHBondContact O-N 3.32Å; R157-T175 HydrophobicContact CB-CG2 4.05Å; R157-T175 PolarHBondContact NH1-O 2.85Å
158L90Very high91.5Very high119 Ų11978.6 Ų78.662%0.62340%0.4SS*.Hα-helixtrans-75.1-32.4174.1-60.6176.8000111.7H155 H156 T175H155-L158 WeakPolarHBondContact O-CB 3.45Å; H155-L158 WeakPolarHBondContact O-CG 3.32Å; H155-L158 PolarHBondContact O-N 3.14Å; H156-L158 PolarHBondContact O-N 2.76Å; L158-T175 HydrophobicContact CD2-CG2 4.42Å
159H91.7Very high91.8Very high70 Ų7080.7 Ų80.732%0.32441%0.409SS..Hα-helixtrans-75-48.1178.7-74-73.3000111.7E141 C142 H155 H156 G161E141-H159 WeakPolarHBondContact OE2-CB 3.38Å; E141-H159 IonicContact OE2-CD2 2.93Å; E141-H159 IonicContact OE2-CE1 3.97Å; E141-H159 IonicContact OE2-CG 2.71Å; E141-H159 IonicContact OE2-ND1 2.86Å; E141-H159 PolarHBondContact OE2-ND1 3.12Å; C142-H159 PolarHBondContact SG-NE2 3.19Å; C142-H159 VanDerWaalsContact SG-NE2 3.44Å; H155-H159 AromaticContact CE1-NE2 3.68Å; H155-H159 AromaticContact NE2-CD2 3.87Å; H155-H159 AromaticContact NE2-NE2 3.37Å; H155-H159 PolarHBondContact NE2-NE2 3.38Å; H156-H159 WeakPolarHBondContact O-CB 3.45Å; H156-H159 PolarHBondContact O-N 2.88Å; H159-G161 PolarHBondContact O-N 3.25Å
160T91.3Very high92.2Very high79 Ų7977.8 Ų77.849%0.48540%0.398SS..SBendtrans-76.6-9.817957.80000113.6H156 Y162H156-T160 PolarHBondContact O-N 3.26Å; H156-T160 VanDerWaalsContact O-N 3.16Å; H156-T160 PolarHBondContact O-OG1 3.42Å; T160-Y162 PolarHBondContact O-N 3.38Å; T160-Y162 VanDerWaalsContact O-N 3.07Å; T160-Y162 VanDerWaalsContact OG1-CB 3.24Å; T160-Y162 WeakPolarHBondContact OG1-CB 3.48Å; T160-Y162 PolarHBondContact OG1-N 3.18Å
161G90.7Very high92.5Very high46 Ų4676 Ų7647%0.47439%0.391SS..  trans65.73.4-169.600000114.1R157 H159 K163R157-G161 CarbonylContact O-C 3.41Å; R157-G161 WeakPolarHBondContact O-CA 3.43Å; R157-G161 PolarHBondContact O-N 3.25Å; H159-G161 PolarHBondContact O-N 3.25Å; G161-K163 WeakPolarHBondContact O-CG 3.45Å; G161-K163 PolarHBondContact O-N 3.26Å
162Y92.9Very high92.8Very high141 Ų14179.9 Ų79.955%0.55340%0.402SS*.  trans-64.8121.6-173.4-178.5-115.7000112R157 T160 P164R157-Y162 WeakPolarHBondContact CB-O 3.49Å; R157-Y162 HydrophobicContact CG-CD1 4.31Å; R157-Y162 PolarHBondContact O-N 3.32Å; T160-Y162 PolarHBondContact O-N 3.38Å; T160-Y162 VanDerWaalsContact O-N 3.07Å; T160-Y162 VanDerWaalsContact OG1-CB 3.24Å; T160-Y162 WeakPolarHBondContact OG1-CB 3.48Å; T160-Y162 PolarHBondContact OG1-N 3.18Å; Y162-P164 HydrophobicContact CD1-CG 4.22Å; Y162-P164 HydrophobicContact CE1-CB 3.73Å; Y162-P164 HydrophobicContact CE1-CG 3.72Å
163K94.2Very high93.1Very high113 Ų11381 Ų8149%0.49141%0.41SS..  trans-128.884.7-176-74162.3174.8-179.20109.7G161 Y165 S173 F174 T175G161-K163 WeakPolarHBondContact O-CG 3.45Å; G161-K163 PolarHBondContact O-N 3.26Å; K163-Y165 PolarHBondContact O-N 3.12Å; K163-S173 VanDerWaalsContact CB-CB 3.48Å; K163-S173 WeakPolarHBondContact CD-O 3.36Å; K163-S173 WeakPolarHBondContact O-CB 3.34Å; K163-F174 CarbonylContact C-O 3.55Å; K163-F174 WeakPolarHBondContact CA-O 3.39Å; K163-T175 HydrophobicContact CG-CG2 3.71Å
164P92.8Very high93.3Very high48 Ų4875.8 Ų75.831%0.31239%0.388SS..  trans-68-20.7-172.322.2-30.1000114Y162 K166Y162-P164 HydrophobicContact CD1-CG 4.22Å; Y162-P164 HydrophobicContact CE1-CB 3.73Å; Y162-P164 HydrophobicContact CE1-CG 3.72Å; P164-K166 PolarHBondContact O-N 3.48Å
165Y96.3Very high93.5Very high79 Ų7974.4 Ų74.431%0.3138%0.382SS..EExtended strand (participates in β ladder)trans-99.595.2-173.2-53.9-73.2000110.6K163 S173 F174K163-Y165 PolarHBondContact O-N 3.12Å; Y165-S173 CarbonylContact O-C 3.57Å; Y165-S173 VanDerWaalsContact O-CA 3.31Å; Y165-S173 WeakPolarHBondContact O-CA 3.23Å; Y165-F174 WeakPolarHBondContact CD2-O 3.47Å; Y165-F174 PolarHBondContact N-O 3.05Å; Y165-F174 PolarHBondContact O-N 2.86Å
166K96.1Very high93.5Very high122 Ų12277.5 Ų77.553%0.5340%0.395SS..EExtended strand (participates in β ladder)trans-91.5138.5179.9-171.1175.3178.5-174.50111.6P164 S173P164-K166 PolarHBondContact O-N 3.48Å; K166-S173 WeakPolarHBondContact CG-OG 3.39Å
167C96.4Very high93.7Very high1 Ų176.8 Ų76.81%0.00740%0.399CS..  trans-81.3123.3167.1178.30000109.1E169 G171 K172 L180C167-E169 VanDerWaalsContact C-N 3.3Å; C167-E169 PolarHBondContact O-N 2.9Å; C167-G171 WeakPolarHBondContact O-CA 3.39Å; C167-G171 PolarHBondContact O-N 3.42Å; C167-K172 WeakPolarHBondContact CB-O 3.42Å; C167-K172 PolarHBondContact N-O 3.39Å; C167-L180 HydrophobicContact CB-CD1 3.66Å
168N94.1Very high93.7Very high155 Ų15577.8 Ų77.883%0.82941%0.413SS*.THydrogen-bonded Turntrans-71-26.2-178.5-65.8-14.3000112.8
169E92.6Very high94Very high127 Ų12775.9 Ų75.959%0.59340%0.401SS*.THydrogen-bonded Turntrans-80.6-38.2-176.9-65.5-175.8-140.800114.1C167 H187C167-E169 VanDerWaalsContact C-N 3.3Å; C167-E169 PolarHBondContact O-N 2.9Å; E169-H187 WeakPolarHBondContact OE2-CB 3.47Å; E169-H187 IonicContact OE2-CE1 3.69Å; E169-H187 IonicContact OE2-CG 3.82Å; E169-H187 IonicContact OE2-ND1 2.96Å; E169-H187 PolarHBondContact OE2-ND1 2.71Å
170C95.2Very high94.2Very high51 Ų5173.5 Ų73.535%0.34539%0.391SS..THydrogen-bonded Turntrans-120.54.1-18068.50000114.7K172 H183 H187C170-K172 PolarHBondContact O-N 2.95Å; C170-K172 VanDerWaalsContact SG-CG 3.59Å; C170-H183 PolarHBondContact SG-NE2 3.05Å; C170-H187 PolarHBondContact SG-NE2 3.37Å; C170-H187 VanDerWaalsContact SG-NE2 3.41Å
171G93.7Very high94.3Very high34 Ų3476.4 Ų76.435%0.35140%0.397SS..  trans70-1.9-179.900000115.6C167C167-G171 WeakPolarHBondContact O-CA 3.39Å; C167-G171 PolarHBondContact O-N 3.42Å
172K95.7Very high94.5Very high127 Ų12775.8 Ų75.855%0.55238%0.383SS*.  trans-67.9132.3-179.4-72178.9-177.1169.30111.4C167 C170 F174C167-K172 WeakPolarHBondContact CB-O 3.42Å; C167-K172 PolarHBondContact N-O 3.39Å; C170-K172 PolarHBondContact O-N 2.95Å; C170-K172 VanDerWaalsContact SG-CG 3.59Å; K172-F174 HydrophobicContact CB-CE2 4.1Å; K172-F174 HydrophobicContact CB-CZ 4.19Å; K172-F174 WeakPolarHBondContact O-CE2 3.39Å
173S96.1Very high94.6Very high42 Ų4269.9 Ų69.929%0.29436%0.361SS..EExtended strand (participates in β ladder)trans-108.8148179.2-53.50000113.5K163 Y165 K166K163-S173 VanDerWaalsContact CB-CB 3.48Å; K163-S173 WeakPolarHBondContact CD-O 3.36Å; K163-S173 WeakPolarHBondContact O-CB 3.34Å; Y165-S173 CarbonylContact O-C 3.57Å; Y165-S173 VanDerWaalsContact O-CA 3.31Å; Y165-S173 WeakPolarHBondContact O-CA 3.23Å; K166-S173 WeakPolarHBondContact CG-OG 3.39Å
174F94.4Very high94.7Very high42 Ų4268.3 Ų68.318%0.18436%0.355CS..EExtended strand (participates in β ladder)trans-127151.1-175.9-57.8-89.9000111.8K163 Y165 K172 K176 H179 L180 H183K163-F174 CarbonylContact C-O 3.55Å; K163-F174 WeakPolarHBondContact CA-O 3.39Å; Y165-F174 WeakPolarHBondContact CD2-O 3.47Å; Y165-F174 PolarHBondContact N-O 3.05Å; Y165-F174 PolarHBondContact O-N 2.86Å; K172-F174 HydrophobicContact CB-CE2 4.1Å; K172-F174 HydrophobicContact CB-CZ 4.19Å; K172-F174 WeakPolarHBondContact O-CE2 3.39Å; F174-K176 VanDerWaalsContact C-N 3.35Å; F174-H179 HydrophobicContact CB-CB 4.16Å; F174-H179 HydrophobicContact CD1-CB 3.9Å; F174-H179 HydrophobicContact CG-CB 4.25Å; F174-L180 HydrophobicContact CB-CB 4.38Å; F174-L180 HydrophobicContact CD2-CB 3.79Å; F174-L180 HydrophobicContact CD2-CD1 3.75Å; F174-L180 HydrophobicContact CD2-CG 4.38Å; F174-L180 HydrophobicContact CE2-CD1 3.85Å; F174-L180 HydrophobicContact CG-CB 4.27Å; F174-H183 HydrophobicContact CE1-CB 3.99Å; F174-H183 HydrophobicContact CE2-CB 3.85Å; F174-H183 AromaticContact CE2-CD2 3.32Å; F174-H183 WeakPolarHBondContact CE2-CD2 3.5Å; F174-H183 AromaticContact CE2-CG 3.59Å; F174-H183 AromaticContact CE2-NE2 3.99Å; F174-H183 HydrophobicContact CZ-CB 3.42Å; F174-H183 VanDerWaalsContact CZ-CB 3.42Å; F174-H183 AromaticContact CZ-CD2 3.41Å; F174-H183 VanDerWaalsContact CZ-CD2 3.41Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.38Å; F174-H183 AromaticContact CZ-CG 3.19Å; F174-H183 AromaticContact CZ-ND1 3.68Å; F174-H183 AromaticContact CZ-NE2 3.96Å
175T93.5Very high94.8Very high21 Ų2168 Ų6813%0.12935%0.348CS..SBendtrans-79.5-16.1177.153.80000113.5R157 L158 K163R157-T175 HydrophobicContact CB-CG2 4.05Å; R157-T175 PolarHBondContact NH1-O 2.85Å; L158-T175 HydrophobicContact CD2-CG2 4.42Å; K163-T175 HydrophobicContact CG-CG2 3.71Å
176K92.9Very high94.6Very high84 Ų8469.8 Ų69.837%0.36536%0.362SS..SBendtrans-133.4139.8179.6-66-178.1179.9177.20110.4I154 F174 S178 H179 L180I154-K176 HydrophobicContact CG2-CD 4.23Å; I154-K176 VanDerWaalsContact CG2-CE 3.41Å; I154-K176 HydrophobicContact CG2-CG 3.79Å; F174-K176 VanDerWaalsContact C-N 3.35Å; K176-S178 VanDerWaalsContact C-N 3.32Å; K176-S178 PolarHBondContact O-N 3.2Å; K176-H179 HydrophobicContact CB-CB 4.45Å; K176-H179 WeakPolarHBondContact O-CB 3.26Å; K176-H179 PolarHBondContact O-N 2.86Å; K176-L180 PolarHBondContact O-N 3.28Å
177S94.9Very high94.5Very high67 Ų6767.1 Ų67.147%0.46935%0.352SS..Hα-helixtrans-62.4-38.1177.654.40000112.3H179 L180 K181S177-H179 PolarHBondContact O-N 3.11Å; S177-L180 WeakPolarHBondContact O-CB 3.42Å; S177-L180 PolarHBondContact O-N 3.2Å; S177-L180 VanDerWaalsContact O-N 3.13Å; S177-K181 PolarHBondContact O-N 3.34Å
178S93.2Very high94.4Very high66 Ų6671.8 Ų71.846%0.46238%0.38SS..Hα-helixtrans-61.1-33.3176.659.30000112.8K176 V182K176-S178 VanDerWaalsContact C-N 3.32Å; K176-S178 PolarHBondContact O-N 3.2Å; S178-V182 VanDerWaalsContact O-CG2 3.31Å; S178-V182 WeakPolarHBondContact O-CG2 3.4Å; S178-V182 PolarHBondContact O-N 3.3Å; S178-V182 VanDerWaalsContact O-N 3.15Å
179H95Very high94.3Very high78 Ų7866.7 Ų66.736%0.36136%0.364SS..Hα-helixtrans-70.9-40175.1-65.1175.7000111.7F174 K176 S177 V182 H183F174-H179 HydrophobicContact CB-CB 4.16Å; F174-H179 HydrophobicContact CD1-CB 3.9Å; F174-H179 HydrophobicContact CG-CB 4.25Å; K176-H179 HydrophobicContact CB-CB 4.45Å; K176-H179 WeakPolarHBondContact O-CB 3.26Å; K176-H179 PolarHBondContact O-N 2.86Å; S177-H179 PolarHBondContact O-N 3.11Å; H179-V182 PolarHBondContact O-N 3.49Å; H179-H183 VanDerWaalsContact O-CB 3.3Å; H179-H183 WeakPolarHBondContact O-CB 2.81Å; H179-H183 PolarHBondContact O-N 3.15Å
180L95.4Very high94.4Very high21 Ų2164 Ų6411%0.1135%0.353CS..Hα-helixtrans-60.6-48.6172.6173.162.4000110.9C167 F174 K176 S177 V182 H183 Q184C167-L180 HydrophobicContact CB-CD1 3.66Å; F174-L180 HydrophobicContact CB-CB 4.38Å; F174-L180 HydrophobicContact CD2-CB 3.79Å; F174-L180 HydrophobicContact CD2-CD1 3.75Å; F174-L180 HydrophobicContact CD2-CG 4.38Å; F174-L180 HydrophobicContact CE2-CD1 3.85Å; F174-L180 HydrophobicContact CG-CB 4.27Å; K176-L180 PolarHBondContact O-N 3.28Å; S177-L180 WeakPolarHBondContact O-CB 3.42Å; S177-L180 PolarHBondContact O-N 3.2Å; S177-L180 VanDerWaalsContact O-N 3.13Å; L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 PolarHBondContact O-N 2.79Å; L180-H183 CarbonylContact O-C 3.54Å; L180-H183 WeakPolarHBondContact O-CA 3.37Å; L180-H183 WeakPolarHBondContact O-CB 3.23Å; L180-H183 PolarHBondContact O-N 3.42Å; L180-Q184 HydrophobicContact CD1-CG 4.11Å; L180-Q184 HydrophobicContact CG-CG 4.41Å; L180-Q184 WeakPolarHBondContact O-CG 3.38Å; L180-Q184 PolarHBondContact O-N 3.39Å
181K94.9Very high94.4Very high140 Ų14066.9 Ų66.961%0.60936%0.36SS*.Hα-helixtrans-56.8-43.5179.5-173.7172-174.6171.30112.3S177 H183 Q184S177-K181 PolarHBondContact O-N 3.34Å; K181-H183 VanDerWaalsContact C-N 3.33Å; K181-Q184 PolarHBondContact O-N 3.31Å
182V94.5Very high94.4Very high32 Ų3268.3 Ų68.319%0.19436%0.363CS..Hα-helixtrans-71-30.5176.6174.70000112S178 H179 L180 R185 R204S178-V182 VanDerWaalsContact O-CG2 3.31Å; S178-V182 WeakPolarHBondContact O-CG2 3.4Å; S178-V182 PolarHBondContact O-N 3.3Å; S178-V182 VanDerWaalsContact O-N 3.15Å; H179-V182 PolarHBondContact O-N 3.49Å; L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 PolarHBondContact O-N 2.79Å; V182-R185 WeakPolarHBondContact O-CB 3.22Å; V182-R204 HydrophobicContact CG1-CG 3.63Å
183H95.6Very high94.5Very high17 Ų1765.8 Ų65.88%0.07935%0.351CS..Hα-helixtrans-70.3-39.5174.7165.570.2000112.5C170 F174 H179 L180 K181 R185 L186 H187C170-H183 PolarHBondContact SG-NE2 3.05Å; F174-H183 HydrophobicContact CE1-CB 3.99Å; F174-H183 HydrophobicContact CE2-CB 3.85Å; F174-H183 AromaticContact CE2-CD2 3.32Å; F174-H183 WeakPolarHBondContact CE2-CD2 3.5Å; F174-H183 AromaticContact CE2-CG 3.59Å; F174-H183 AromaticContact CE2-NE2 3.99Å; F174-H183 HydrophobicContact CZ-CB 3.42Å; F174-H183 VanDerWaalsContact CZ-CB 3.42Å; F174-H183 AromaticContact CZ-CD2 3.41Å; F174-H183 VanDerWaalsContact CZ-CD2 3.41Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.38Å; F174-H183 AromaticContact CZ-CG 3.19Å; F174-H183 AromaticContact CZ-ND1 3.68Å; F174-H183 AromaticContact CZ-NE2 3.96Å; H179-H183 VanDerWaalsContact O-CB 3.3Å; H179-H183 WeakPolarHBondContact O-CB 2.81Å; H179-H183 PolarHBondContact O-N 3.15Å; L180-H183 CarbonylContact O-C 3.54Å; L180-H183 WeakPolarHBondContact O-CA 3.37Å; L180-H183 WeakPolarHBondContact O-CB 3.23Å; L180-H183 PolarHBondContact O-N 3.42Å; K181-H183 VanDerWaalsContact C-N 3.33Å; H183-R185 PolarHBondContact O-N 2.93Å; H183-R185 VanDerWaalsContact O-N 3.15Å; H183-L186 VanDerWaalsContact O-CB 3.22Å; H183-L186 WeakPolarHBondContact O-CB 3.43Å; H183-L186 WeakPolarHBondContact O-CG 3.15Å; H183-L186 PolarHBondContact O-N 3.03Å; H183-H187 AromaticContact CE1-NE2 3.75Å; H183-H187 AromaticContact NE2-CD2 3.94Å; H183-H187 AromaticContact NE2-NE2 3.5Å
184Q95.1Very high94.5Very high81 Ų8169.9 Ų69.938%0.37936%0.363SS..Hα-helixtrans-57.9-27.7176.5-74.1172.1-47.900112.6L180 K181 L186 H187 T188L180-Q184 HydrophobicContact CD1-CG 4.11Å; L180-Q184 HydrophobicContact CG-CG 4.41Å; L180-Q184 WeakPolarHBondContact O-CG 3.38Å; L180-Q184 PolarHBondContact O-N 3.39Å; K181-Q184 PolarHBondContact O-N 3.31Å; Q184-L186 PolarHBondContact O-N 3.12Å; Q184-L186 VanDerWaalsContact O-N 3.15Å; Q184-H187 WeakPolarHBondContact O-CB 3.42Å; Q184-H187 PolarHBondContact O-N 3.18Å; Q184-T188 PolarHBondContact O-N 3.4Å
185R95Very high94.6Very high40 Ų4067.9 Ų67.915%0.15136%0.355CS..Hα-helixtrans-60.3-21.9171.9-66.6-177175.1156.92.4114.4V182 H183 H187 G189 D190 T203V182-R185 WeakPolarHBondContact O-CB 3.22Å; H183-R185 PolarHBondContact O-N 2.93Å; H183-R185 VanDerWaalsContact O-N 3.15Å; R185-H187 VanDerWaalsContact C-N 3.28Å; R185-G189 CarbonylContact O-C 3.51Å; R185-G189 WeakPolarHBondContact O-CA 3.39Å; R185-G189 PolarHBondContact O-N 3.25Å; R185-G189 VanDerWaalsContact O-N 3.14Å; R185-D190 HydrophobicContact CB-CB 4.42Å; R185-D190 WeakPolarHBondContact CB-O 3.35Å; R185-D190 HydrophobicContact CG-CB 4.25Å; R185-D190 IonicContact NE-OD2 3.96Å; R185-D190 PolarHBondContact O-N 3.31Å; R185-T203 HydrophobicContact CB-CG2 4.14Å; R185-T203 PolarHBondContact NH1-O 2.77Å
186L92.9Very high94.7Very high117 Ų11774.3 Ų74.361%0.61339%0.388SS*.Hα-helixtrans-70.5-29.8173.9-60.8177.4000111.9H183 Q184 T203H183-L186 VanDerWaalsContact O-CB 3.22Å; H183-L186 WeakPolarHBondContact O-CB 3.43Å; H183-L186 WeakPolarHBondContact O-CG 3.15Å; H183-L186 PolarHBondContact O-N 3.03Å; Q184-L186 PolarHBondContact O-N 3.12Å; Q184-L186 VanDerWaalsContact O-N 3.15Å; L186-T203 HydrophobicContact CD2-CG2 4.42Å
187H94.4Very high94.7Very high67 Ų6776.5 Ų76.531%0.3140%0.4SS..Hα-helixtrans-80.8-48.4-179.7-73.7-76.7000111.8E169 C170 H183 Q184 R185 G189E169-H187 WeakPolarHBondContact OE2-CB 3.47Å; E169-H187 IonicContact OE2-CE1 3.69Å; E169-H187 IonicContact OE2-CG 3.82Å; E169-H187 IonicContact OE2-ND1 2.96Å; E169-H187 PolarHBondContact OE2-ND1 2.71Å; C170-H187 PolarHBondContact SG-NE2 3.37Å; C170-H187 VanDerWaalsContact SG-NE2 3.41Å; H183-H187 AromaticContact CE1-NE2 3.75Å; H183-H187 AromaticContact NE2-CD2 3.94Å; H183-H187 AromaticContact NE2-NE2 3.5Å; Q184-H187 WeakPolarHBondContact O-CB 3.42Å; Q184-H187 PolarHBondContact O-N 3.18Å; R185-H187 VanDerWaalsContact C-N 3.28Å; H187-G189 PolarHBondContact O-N 2.92Å
188T93Very high94.8Very high99 Ų9975.8 Ų75.861%0.60739%0.394SS*.Hα-helixtrans-74.3-12.3178.561.70000113.2Q184 D190Q184-T188 PolarHBondContact O-N 3.4Å; T188-D190 PolarHBondContact O-N 3.41Å; T188-D190 WeakPolarHBondContact OG1-CB 3.37Å; T188-D190 PolarHBondContact OG1-N 2.86Å
189G92.3Very high94.8Very high47 Ų4774.4 Ų74.449%0.48539%0.391SS..  trans69.35.6-170.300000113.9R185 H187 K191R185-G189 CarbonylContact O-C 3.51Å; R185-G189 WeakPolarHBondContact O-CA 3.39Å; R185-G189 PolarHBondContact O-N 3.25Å; R185-G189 VanDerWaalsContact O-N 3.14Å; H187-G189 PolarHBondContact O-N 2.92Å; G189-K191 PolarHBondContact O-N 3.22Å
190D94.3Very high94.9Very high70 Ų7076.5 Ų76.537%0.37440%0.399SS..  trans-61.6122.1-176.6176.232.4000111.6R185 T188 P192R185-D190 HydrophobicContact CB-CB 4.42Å; R185-D190 WeakPolarHBondContact CB-O 3.35Å; R185-D190 HydrophobicContact CG-CB 4.25Å; R185-D190 IonicContact NE-OD2 3.96Å; R185-D190 PolarHBondContact O-N 3.31Å; T188-D190 PolarHBondContact O-N 3.41Å; T188-D190 WeakPolarHBondContact OG1-CB 3.37Å; T188-D190 PolarHBondContact OG1-N 2.86Å; D190-P192 WeakPolarHBondContact OD1-CD 3.23Å; D190-P192 WeakPolarHBondContact OD1-CG 3.45Å; D190-P192 WeakPolarHBondContact OD2-CG 3.26Å
191K95.2Very high95Very high112 Ų11277.6 Ų77.649%0.48741%0.408SS..  trans-131.378.7179.4-68.7173.2-172.9177.90109.3G189 Y193 S201 F202 T203G189-K191 PolarHBondContact O-N 3.22Å; K191-Y193 PolarHBondContact O-N 2.82Å; K191-Y193 VanDerWaalsContact O-N 3.12Å; K191-S201 VanDerWaalsContact CB-CB 3.48Å; K191-S201 WeakPolarHBondContact CD-O 3.46Å; K191-S201 WeakPolarHBondContact O-CB 3.46Å; K191-F202 CarbonylContact C-O 3.54Å; K191-F202 WeakPolarHBondContact CA-O 3.25Å; K191-T203 HydrophobicContact CG-CG2 3.91Å
192P94.1Very high95Very high64 Ų6473 Ų7342%0.41639%0.388SS..  trans-64.8-21.4-172.3-23.133.5000114.3D190 K194D190-P192 WeakPolarHBondContact OD1-CD 3.23Å; D190-P192 WeakPolarHBondContact OD1-CG 3.45Å; D190-P192 WeakPolarHBondContact OD2-CG 3.26Å; P192-K194 PolarHBondContact O-N 2.86Å
193Y97Very high95.1Very high74 Ų7472.6 Ų72.629%0.2939%0.386SS..EExtended strand (participates in β ladder)trans-100.294.4-171.2-53.3-71.1000110.4K191 S201 F202 Y205K191-Y193 PolarHBondContact O-N 2.82Å; K191-Y193 VanDerWaalsContact O-N 3.12Å; Y193-S201 CarbonylContact O-C 3.51Å; Y193-S201 WeakPolarHBondContact O-CA 3.48Å; Y193-F202 WeakPolarHBondContact CD2-O 3.48Å; Y193-F202 PolarHBondContact N-O 3.14Å; Y193-F202 PolarHBondContact O-N 3.12Å; Y193-Y205 AromaticContact CD1-CD2 3.79Å; Y193-Y205 HydrophobicContact CD1-CD2 3.79Å; Y193-Y205 HydrophobicContact CD1-CG 4.38Å; Y193-Y205 VanDerWaalsContact CD2-N 3.27Å; Y193-Y205 HydrophobicContact CE1-CD2 4.1Å; Y193-Y205 HydrophobicContact CE1-CG 4.4Å; Y193-Y205 VanDerWaalsContact CE2-N 3.31Å; Y193-Y205 HydrophobicContact CG-CD2 4.49Å
194K96.9Very high95Very high128 Ų12877.4 Ų77.456%0.55740%0.403SS*.EExtended strand (participates in β ladder)trans-89.4138.5179.5-169.5174.1178.9-176.80111.8P192P192-K194 PolarHBondContact O-N 2.86Å
195C97Very high95Very high1 Ų179.4 Ų79.41%0.00741%0.408CS..  trans-82.5120.2167.7177.20000109.3E197 C198 G199 K200 F202 L208 H215C195-E197 VanDerWaalsContact C-N 3.3Å; C195-E197 PolarHBondContact O-N 3.37Å; C195-C198 VanDerWaalsContact SG-SG 3.67Å; C195-G199 WeakPolarHBondContact O-CA 3.44Å; C195-G199 PolarHBondContact O-N 3.42Å; C195-K200 VanDerWaalsContact CB-O 3.29Å; C195-K200 WeakPolarHBondContact CB-O 3.46Å; C195-K200 PolarHBondContact N-O 2.96Å; C195-F202 HydrophobicContact CB-CE2 4.47Å; C195-L208 HydrophobicContact CB-CD1 3.61Å; C195-H215 PolarHBondContact SG-NE2 3.23Å
196N94.9Very high95Very high155 Ų15580.6 Ų80.683%0.82942%0.422SS*.THydrogen-bonded Turntrans-68.5-28.5-177.7-64.4-11.7000113
197E93.8Very high95.1Very high130 Ų13078.1 Ų78.161%0.60741%0.41SS*.THydrogen-bonded Turntrans-80-29.7-175.8-67.9169.8-176.500113.8C195 H215C195-E197 VanDerWaalsContact C-N 3.3Å; C195-E197 PolarHBondContact O-N 3.37Å; E197-H215 WeakPolarHBondContact OE2-CB 3.45Å; E197-H215 IonicContact OE2-CD2 2.86Å; E197-H215 PolarHBondContact OE2-CD2 2.85Å; E197-H215 IonicContact OE2-CG 3Å; E197-H215 IonicContact OE2-ND1 3.99Å; E197-H215 IonicContact OE2-NE2 3.58Å
198C96Very high95.2Very high53 Ų5375.4 Ų75.436%0.35840%0.398SS..THydrogen-bonded Turntrans-130.85.4-178.573.50000114.8C195 K200 H211C195-C198 VanDerWaalsContact SG-SG 3.67Å; C198-K200 PolarHBondContact O-N 3.44Å; C198-H211 PolarHBondContact SG-NE2 3.37Å
199G94.7Very high95.3Very high37 Ų3775.3 Ų75.338%0.38139%0.389SS..  trans70.1-5.6179.700000115.9C195 S201C195-G199 WeakPolarHBondContact O-CA 3.44Å; C195-G199 PolarHBondContact O-N 3.42Å; G199-S201 PolarHBondContact O-N 2.77Å
200K96.8Very high95.5Very high122 Ų12274.7 Ų74.753%0.5338%0.376SS..  trans-66.3131.2-179.3-70.6-179.8-177.2174.10111.5C195 C198 F202C195-K200 VanDerWaalsContact CB-O 3.29Å; C195-K200 WeakPolarHBondContact CB-O 3.46Å; C195-K200 PolarHBondContact N-O 2.96Å; C198-K200 PolarHBondContact O-N 3.44Å; K200-F202 HydrophobicContact CB-CE2 4.09Å; K200-F202 HydrophobicContact CB-CZ 4.22Å; K200-F202 WeakPolarHBondContact O-CE2 3.48Å
201S96.8Very high95.6Very high44 Ų4472.5 Ų72.531%0.30836%0.363SS..EExtended strand (participates in β ladder)trans-106.4151.1178.6-550000113.3K191 Y193 G199K191-S201 VanDerWaalsContact CB-CB 3.48Å; K191-S201 WeakPolarHBondContact CD-O 3.46Å; K191-S201 WeakPolarHBondContact O-CB 3.46Å; Y193-S201 CarbonylContact O-C 3.51Å; Y193-S201 WeakPolarHBondContact O-CA 3.48Å; G199-S201 PolarHBondContact O-N 2.77Å
202F95.9Very high95.6Very high43 Ų4370.1 Ų70.119%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-130150.8-176.3-59.5-90.6000111.8K191 Y193 C195 K200 R204 D207 L208 H211K191-F202 CarbonylContact C-O 3.54Å; K191-F202 WeakPolarHBondContact CA-O 3.25Å; Y193-F202 WeakPolarHBondContact CD2-O 3.48Å; Y193-F202 PolarHBondContact N-O 3.14Å; Y193-F202 PolarHBondContact O-N 3.12Å; C195-F202 HydrophobicContact CB-CE2 4.47Å; K200-F202 HydrophobicContact CB-CE2 4.09Å; K200-F202 HydrophobicContact CB-CZ 4.22Å; K200-F202 WeakPolarHBondContact O-CE2 3.48Å; F202-R204 VanDerWaalsContact C-N 3.34Å; F202-D207 HydrophobicContact CB-CB 4.27Å; F202-D207 HydrophobicContact CD1-CB 3.93Å; F202-D207 HydrophobicContact CG-CB 4.35Å; F202-L208 HydrophobicContact CB-CB 4.32Å; F202-L208 HydrophobicContact CD2-CB 3.8Å; F202-L208 HydrophobicContact CD2-CD1 3.79Å; F202-L208 HydrophobicContact CD2-CG 4.4Å; F202-L208 HydrophobicContact CE2-CD1 3.93Å; F202-L208 HydrophobicContact CG-CB 4.22Å; F202-H211 HydrophobicContact CE1-CB 3.92Å; F202-H211 HydrophobicContact CE2-CB 3.81Å; F202-H211 AromaticContact CE2-CD2 3.44Å; F202-H211 VanDerWaalsContact CE2-CD2 3.44Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.5Å; F202-H211 AromaticContact CE2-CG 3.55Å; F202-H211 HydrophobicContact CZ-CB 3.38Å; F202-H211 AromaticContact CZ-CD2 3.55Å; F202-H211 AromaticContact CZ-CE1 4Å; F202-H211 AromaticContact CZ-CG 3.17Å; F202-H211 AromaticContact CZ-ND1 3.51Å
203T94.8Very high95.7Very high23 Ų2369.6 Ų69.614%0.14134%0.343CS..SBendtrans-78.2-19.317760.40000112.8R185 L186 K191R185-T203 HydrophobicContact CB-CG2 4.14Å; R185-T203 PolarHBondContact NH1-O 2.77Å; L186-T203 HydrophobicContact CD2-CG2 4.42Å; K191-T203 HydrophobicContact CG-CG2 3.91Å
204R94.7Very high95.6Very high119 Ų11970.4 Ų70.445%0.44935%0.352SS..SBendtrans-130.8141.3179.8-57.2177.8179.3-160.3-6.5111V182 F202 S206 D207 L208V182-R204 HydrophobicContact CG1-CG 3.63Å; F202-R204 VanDerWaalsContact C-N 3.34Å; R204-S206 VanDerWaalsContact C-N 3.31Å; R204-S206 PolarHBondContact O-N 2.74Å; R204-D207 HydrophobicContact CB-CB 4.46Å; R204-D207 WeakPolarHBondContact CB-OD2 3.44Å; R204-D207 PolarHBondContact O-N 3.08Å; R204-L208 PolarHBondContact O-N 3.24Å
205Y95.5Very high95.6Very high123 Ų12367.9 Ų67.948%0.48234%0.342SS..Hα-helixtrans-62.9-37177.4-176.4-105.7000113Y193 D207 L208 K209Y193-Y205 AromaticContact CD1-CD2 3.79Å; Y193-Y205 HydrophobicContact CD1-CD2 3.79Å; Y193-Y205 HydrophobicContact CD1-CG 4.38Å; Y193-Y205 VanDerWaalsContact CD2-N 3.27Å; Y193-Y205 HydrophobicContact CE1-CD2 4.1Å; Y193-Y205 HydrophobicContact CE1-CG 4.4Å; Y193-Y205 VanDerWaalsContact CE2-N 3.31Å; Y193-Y205 HydrophobicContact CG-CD2 4.49Å; Y205-D207 PolarHBondContact O-N 2.81Å; Y205-L208 HydrophobicContact CD2-CD2 4.49Å; Y205-L208 WeakPolarHBondContact O-CB 3.43Å; Y205-L208 PolarHBondContact O-N 3.21Å; Y205-K209 HydrophobicContact CD1-CG 4.06Å; Y205-K209 HydrophobicContact CE1-CD 4.28Å; Y205-K209 HydrophobicContact CE1-CG 3.63Å; Y205-K209 PolarHBondContact O-N 2.8Å; Y205-K209 WeakPolarHBondContact OH-CE 3.33Å
206S94.4Very high95.4Very high64 Ų6472.4 Ų72.445%0.44837%0.37SS..Hα-helixtrans-58.8-36.7176.156.20000112.4R204 K209 V210R204-S206 VanDerWaalsContact C-N 3.31Å; R204-S206 PolarHBondContact O-N 2.74Å; S206-K209 PolarHBondContact O-N 3.12Å; S206-V210 WeakPolarHBondContact O-CG2 3.13Å; S206-V210 PolarHBondContact O-N 3.46Å
207D95.5Very high95.3Very high66 Ų6667.2 Ų67.235%0.35335%0.353SS..Hα-helixtrans-73-39.3-179.2-61.8-26.6000110.6F202 R204 Y205 V210 H211F202-D207 HydrophobicContact CB-CB 4.27Å; F202-D207 HydrophobicContact CD1-CB 3.93Å; F202-D207 HydrophobicContact CG-CB 4.35Å; R204-D207 HydrophobicContact CB-CB 4.46Å; R204-D207 WeakPolarHBondContact CB-OD2 3.44Å; R204-D207 PolarHBondContact O-N 3.08Å; Y205-D207 PolarHBondContact O-N 2.81Å; D207-V210 PolarHBondContact O-N 3.18Å; D207-H211 VanDerWaalsContact O-CB 3.26Å; D207-H211 WeakPolarHBondContact O-CB 2.85Å; D207-H211 PolarHBondContact O-N 3.34Å
208L96.1Very high95.4Very high10 Ų1067.6 Ų67.65%0.05235%0.35CS..Hα-helixtrans-58.7-48.1169.9172.363.1000111.3C195 F202 R204 Y205 V210 H211 Q212C195-L208 HydrophobicContact CB-CD1 3.61Å; F202-L208 HydrophobicContact CB-CB 4.32Å; F202-L208 HydrophobicContact CD2-CB 3.8Å; F202-L208 HydrophobicContact CD2-CD1 3.79Å; F202-L208 HydrophobicContact CD2-CG 4.4Å; F202-L208 HydrophobicContact CE2-CD1 3.93Å; F202-L208 HydrophobicContact CG-CB 4.22Å; R204-L208 PolarHBondContact O-N 3.24Å; Y205-L208 HydrophobicContact CD2-CD2 4.49Å; Y205-L208 WeakPolarHBondContact O-CB 3.43Å; Y205-L208 PolarHBondContact O-N 3.21Å; L208-V210 VanDerWaalsContact C-N 3.32Å; L208-V210 PolarHBondContact O-N 2.79Å; L208-H211 CarbonylContact O-C 3.47Å; L208-H211 WeakPolarHBondContact O-CA 3.47Å; L208-H211 WeakPolarHBondContact O-CB 3.2Å; L208-H211 PolarHBondContact O-N 3.5Å; L208-Q212 HydrophobicContact CD1-CG 4.16Å; L208-Q212 HydrophobicContact CG-CG 4.5Å; L208-Q212 WeakPolarHBondContact O-CG 3.29Å; L208-Q212 PolarHBondContact O-N 2.78Å
209K95.8Very high95.4Very high97 Ų9770.4 Ų70.442%0.42236%0.356SS..Hα-helixtrans-60.3-40.3179.6-82.1-73.9176.2-172.70112.9Y205 S206 H211Y205-K209 HydrophobicContact CD1-CG 4.06Å; Y205-K209 HydrophobicContact CE1-CD 4.28Å; Y205-K209 HydrophobicContact CE1-CG 3.63Å; Y205-K209 PolarHBondContact O-N 2.8Å; Y205-K209 WeakPolarHBondContact OH-CE 3.33Å; S206-K209 PolarHBondContact O-N 3.12Å; K209-H211 VanDerWaalsContact C-N 3.34Å
210V95.6Very high95.4Very high34 Ų3470.9 Ų70.921%0.20635%0.352CS..Hα-helixtrans-71.5-34174.9176.60000111.1S206 D207 L208 R213 K232S206-V210 WeakPolarHBondContact O-CG2 3.13Å; S206-V210 PolarHBondContact O-N 3.46Å; D207-V210 PolarHBondContact O-N 3.18Å; L208-V210 VanDerWaalsContact C-N 3.32Å; L208-V210 PolarHBondContact O-N 2.79Å; V210-R213 VanDerWaalsContact O-CB 3.26Å; V210-R213 WeakPolarHBondContact O-CB 3.22Å; V210-R213 PolarHBondContact O-N 3.33Å; V210-K232 HydrophobicContact CG1-CD 4.12Å; V210-K232 HydrophobicContact CG1-CG 3.64Å
211H96.2Very high95.4Very high23 Ų2369 Ų6911%0.10634%0.342CS..Hα-helixtrans-64.6-43.517516777.2000112.5C198 F202 D207 L208 K209 R213 I214 H215C198-H211 PolarHBondContact SG-NE2 3.37Å; F202-H211 HydrophobicContact CE1-CB 3.92Å; F202-H211 HydrophobicContact CE2-CB 3.81Å; F202-H211 AromaticContact CE2-CD2 3.44Å; F202-H211 VanDerWaalsContact CE2-CD2 3.44Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.5Å; F202-H211 AromaticContact CE2-CG 3.55Å; F202-H211 HydrophobicContact CZ-CB 3.38Å; F202-H211 AromaticContact CZ-CD2 3.55Å; F202-H211 AromaticContact CZ-CE1 4Å; F202-H211 AromaticContact CZ-CG 3.17Å; F202-H211 AromaticContact CZ-ND1 3.51Å; D207-H211 VanDerWaalsContact O-CB 3.26Å; D207-H211 WeakPolarHBondContact O-CB 2.85Å; D207-H211 PolarHBondContact O-N 3.34Å; L208-H211 CarbonylContact O-C 3.47Å; L208-H211 WeakPolarHBondContact O-CA 3.47Å; L208-H211 WeakPolarHBondContact O-CB 3.2Å; L208-H211 PolarHBondContact O-N 3.5Å; K209-H211 VanDerWaalsContact C-N 3.34Å; H211-R213 PolarHBondContact O-N 3.15Å; H211-I214 WeakPolarHBondContact CE1-CD1 3.31Å; H211-I214 WeakPolarHBondContact ND1-CD1 3.42Å; H211-I214 WeakPolarHBondContact O-CG1 3.15Å; H211-I214 WeakPolarHBondContact O-CG2 3.37Å; H211-I214 PolarHBondContact O-N 3.16Å; H211-H215 AromaticContact CE1-NE2 3.93Å; H211-H215 AromaticContact NE2-NE2 3.34Å; H211-H215 PolarHBondContact NE2-NE2 3.49Å
212Q96Very high95.4Very high62 Ų6272.8 Ų72.829%0.2935%0.353SS..Hα-helixtrans-55.9-21.1178.3-73.4176.5-44.600113.6L208 I214 H215 T216L208-Q212 HydrophobicContact CD1-CG 4.16Å; L208-Q212 HydrophobicContact CG-CG 4.5Å; L208-Q212 WeakPolarHBondContact O-CG 3.29Å; L208-Q212 PolarHBondContact O-N 2.78Å; Q212-I214 PolarHBondContact O-N 3.04Å; Q212-H215 PolarHBondContact O-N 3.18Å; Q212-T216 PolarHBondContact O-N 3.31Å; Q212-T216 PolarHBondContact O-OG1 2.8Å
213R96.2Very high95.4Very high53 Ų5370.8 Ų70.820%0.234%0.344CS..THydrogen-bonded Turntrans-63.6-20.3173.4-61.7179.7-174.5-170.9-9.3113.8V210 H211 H215 T216 G217 Y218 T231V210-R213 VanDerWaalsContact O-CB 3.26Å; V210-R213 WeakPolarHBondContact O-CB 3.22Å; V210-R213 PolarHBondContact O-N 3.33Å; H211-R213 PolarHBondContact O-N 3.15Å; R213-H215 VanDerWaalsContact C-N 3.35Å; R213-T216 WeakPolarHBondContact CA-OG1 3.43Å; R213-G217 CarbonylContact O-C 3.31Å; R213-G217 WeakPolarHBondContact O-CA 3.38Å; R213-G217 PolarHBondContact O-N 3Å; R213-G217 VanDerWaalsContact O-N 3.12Å; R213-Y218 WeakPolarHBondContact CB-O 3.5Å; R213-Y218 HydrophobicContact CG-CD1 4.36Å; R213-Y218 PolarHBondContact O-N 3.22Å; R213-T231 HydrophobicContact CB-CG2 3.98Å; R213-T231 PolarHBondContact NH1-O 3.3Å
214I94.9Very high95.4Very high91 Ų9176.5 Ų76.547%0.46737%0.374SS..THydrogen-bonded Turntrans-71.8-33.4177.277.7-179000111.7H211 Q212H211-I214 WeakPolarHBondContact CE1-CD1 3.31Å; H211-I214 WeakPolarHBondContact ND1-CD1 3.42Å; H211-I214 WeakPolarHBondContact O-CG1 3.15Å; H211-I214 WeakPolarHBondContact O-CG2 3.37Å; H211-I214 PolarHBondContact O-N 3.16Å; Q212-I214 PolarHBondContact O-N 3.04Å
215H95.4Very high95.4Very high75 Ų7576 Ų7635%0.34738%0.38SS..THydrogen-bonded Turntrans-82.5-40.6-176.3-55.3-54.3000111.4C195 E197 H211 Q212 R213 G217C195-H215 PolarHBondContact SG-NE2 3.23Å; E197-H215 WeakPolarHBondContact OE2-CB 3.45Å; E197-H215 IonicContact OE2-CD2 2.86Å; E197-H215 PolarHBondContact OE2-CD2 2.85Å; E197-H215 IonicContact OE2-CG 3Å; E197-H215 IonicContact OE2-ND1 3.99Å; E197-H215 IonicContact OE2-NE2 3.58Å; H211-H215 AromaticContact CE1-NE2 3.93Å; H211-H215 AromaticContact NE2-NE2 3.34Å; H211-H215 PolarHBondContact NE2-NE2 3.49Å; Q212-H215 PolarHBondContact O-N 3.18Å; R213-H215 VanDerWaalsContact C-N 3.35Å; H215-G217 PolarHBondContact O-N 3.3Å
216T93.6Very high95.4Very high97 Ų9772.6 Ų72.660%0.59537%0.374SS*.SBendtrans-74.1-12.8173.154.60000113.2Q212 R213 Y218Q212-T216 PolarHBondContact O-N 3.31Å; Q212-T216 PolarHBondContact O-OG1 2.8Å; R213-T216 WeakPolarHBondContact CA-OG1 3.43Å; T216-Y218 PolarHBondContact O-N 2.99Å; T216-Y218 VanDerWaalsContact O-N 3.07Å; T216-Y218 WeakPolarHBondContact OG1-CB 3.34Å; T216-Y218 PolarHBondContact OG1-N 3.13Å
217G93.2Very high95.4Very high46 Ų4671.3 Ų71.347%0.47437%0.37SS..  trans65.43.1-169.200000114.4R213 H215 K219R213-G217 CarbonylContact O-C 3.31Å; R213-G217 WeakPolarHBondContact O-CA 3.38Å; R213-G217 PolarHBondContact O-N 3Å; R213-G217 VanDerWaalsContact O-N 3.12Å; H215-G217 PolarHBondContact O-N 3.3Å; G217-K219 WeakPolarHBondContact O-CG 3.49Å; G217-K219 PolarHBondContact O-N 3.34Å
218Y95.5Very high95.4Very high138 Ų13874 Ų7454%0.54138%0.379SS..  trans-65.9120.3-171.8-178.5-116.4000112.2R213 T216 P220R213-Y218 WeakPolarHBondContact CB-O 3.5Å; R213-Y218 HydrophobicContact CG-CD1 4.36Å; R213-Y218 PolarHBondContact O-N 3.22Å; T216-Y218 PolarHBondContact O-N 2.99Å; T216-Y218 VanDerWaalsContact O-N 3.07Å; T216-Y218 WeakPolarHBondContact OG1-CB 3.34Å; T216-Y218 PolarHBondContact OG1-N 3.13Å; Y218-P220 HydrophobicContact CD1-CG 4.23Å; Y218-P220 HydrophobicContact CE1-CB 3.73Å; Y218-P220 HydrophobicContact CE1-CG 3.72Å
219K95.9Very high95.4Very high112 Ų11275.5 Ų75.549%0.48739%0.39SS..  trans-127.784.8-176.3-74.4161.4168.7-174.30109.8G217 Y221 S229 F230 T231G217-K219 WeakPolarHBondContact O-CG 3.49Å; G217-K219 PolarHBondContact O-N 3.34Å; K219-Y221 PolarHBondContact O-N 2.88Å; K219-S229 VanDerWaalsContact CB-CB 3.45Å; K219-S229 WeakPolarHBondContact CD-O 3.43Å; K219-S229 WeakPolarHBondContact O-CB 3.38Å; K219-F230 CarbonylContact C-O 3.54Å; K219-F230 WeakPolarHBondContact CA-O 3.38Å; K219-T231 HydrophobicContact CG-CG2 3.81Å
220P94.3Very high95.4Very high47 Ų4772.9 Ų72.931%0.30538%0.379SS..  trans-68.3-18.2-172.222.3-30.2000114.2Y218Y218-P220 HydrophobicContact CD1-CG 4.23Å; Y218-P220 HydrophobicContact CE1-CB 3.73Å; Y218-P220 HydrophobicContact CE1-CG 3.72Å
221Y97.2Very high95.4Very high82 Ų8272.7 Ų72.732%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-102.194.4-173.7-53.8-71.3000109.9K219 S229 F230K219-Y221 PolarHBondContact O-N 2.88Å; Y221-S229 CarbonylContact O-C 3.56Å; Y221-S229 WeakPolarHBondContact O-CA 3.37Å; Y221-F230 WeakPolarHBondContact CD2-O 3.32Å; Y221-F230 PolarHBondContact N-O 3.01Å; Y221-F230 PolarHBondContact O-N 3.15Å
222K96.9Very high95.4Very high124 Ų12475.9 Ų75.954%0.53939%0.391SS..EExtended strand (participates in β ladder)trans-91.2137179.7-172.3176177.6-173.90111
223C96.8Very high95.4Very high0 Ų076 Ų760%040%0.399CS..  trans-82.5125.5167.2-179.60000108.9G227 K228 F230 L236 H243C223-G227 WeakPolarHBondContact O-CA 3.47Å; C223-G227 PolarHBondContact O-N 3.21Å; C223-K228 WeakPolarHBondContact CB-O 3.39Å; C223-K228 PolarHBondContact N-O 3.08Å; C223-F230 HydrophobicContact CB-CE2 4.47Å; C223-L236 HydrophobicContact CB-CD1 3.61Å; C223-H243 VanDerWaalsContact SG-CD2 3.58Å; C223-H243 PolarHBondContact SG-NE2 2.93Å
224N94.8Very high95.3Very high144 Ų14476.8 Ų76.877%0.7741%0.413SS*.THydrogen-bonded Turntrans-75-27.9-178.8-66.7-15.7000112.2
225D92.8Very high95.3Very high107 Ų10776.7 Ų76.757%0.57241%0.41SS*.THydrogen-bonded Turntrans-74.8-32.6-176.1-51.6-39.5000113.3H243D225-H243 HydrophobicContact CB-CB 4.49Å; D225-H243 IonicContact OD2-CD2 3.57Å; D225-H243 IonicContact OD2-CG 3.79Å
226C95.6Very high95.4Very high53 Ų5374.3 Ų74.336%0.35840%0.4SS..THydrogen-bonded Turntrans-131.15.2-178.870.50000115.2K228 H239 H243C226-K228 PolarHBondContact O-N 3.37Å; C226-H239 PolarHBondContact SG-NE2 3.46Å; C226-H243 PolarHBondContact SG-NE2 3.3Å; C226-H243 VanDerWaalsContact SG-NE2 3.36Å
227G94.4Very high95.5Very high36 Ų3676.5 Ų76.537%0.37140%0.401SS..  trans70.4-2.6179.700000115.7C223C223-G227 WeakPolarHBondContact O-CA 3.47Å; C223-G227 PolarHBondContact O-N 3.21Å
228K96.5Very high95.6Very high124 Ų12476.3 Ų76.354%0.53939%0.39SS..  trans-67.8133.9-179.9-72.5178.4-177.61680111.4C223 C226 F230C223-K228 WeakPolarHBondContact CB-O 3.39Å; C223-K228 PolarHBondContact N-O 3.08Å; C226-K228 PolarHBondContact O-N 3.37Å; K228-F230 HydrophobicContact CB-CE2 4.07Å; K228-F230 HydrophobicContact CB-CZ 4.18Å
229S96.8Very high95.6Very high40 Ų4070.6 Ų70.628%0.2837%0.369SS..EExtended strand (participates in β ladder)trans-110.9147.2179-52.90000113.2K219 Y221K219-S229 VanDerWaalsContact CB-CB 3.45Å; K219-S229 WeakPolarHBondContact CD-O 3.43Å; K219-S229 WeakPolarHBondContact O-CB 3.38Å; Y221-S229 CarbonylContact O-C 3.56Å; Y221-S229 WeakPolarHBondContact O-CA 3.37Å
230F95.9Very high95.6Very high43 Ų4368.3 Ų68.319%0.18936%0.36CS..EExtended strand (participates in β ladder)trans-126.4152-175.7-57.9-91.2000112K219 Y221 C223 K228 H235 L236 H239K219-F230 CarbonylContact C-O 3.54Å; K219-F230 WeakPolarHBondContact CA-O 3.38Å; Y221-F230 WeakPolarHBondContact CD2-O 3.32Å; Y221-F230 PolarHBondContact N-O 3.01Å; Y221-F230 PolarHBondContact O-N 3.15Å; C223-F230 HydrophobicContact CB-CE2 4.47Å; K228-F230 HydrophobicContact CB-CE2 4.07Å; K228-F230 HydrophobicContact CB-CZ 4.18Å; F230-H235 HydrophobicContact CB-CB 4.17Å; F230-H235 HydrophobicContact CD1-CB 3.88Å; F230-H235 HydrophobicContact CG-CB 4.24Å; F230-L236 HydrophobicContact CB-CB 4.47Å; F230-L236 HydrophobicContact CD2-CB 3.94Å; F230-L236 HydrophobicContact CD2-CD1 3.6Å; F230-L236 HydrophobicContact CD2-CG 4.41Å; F230-L236 HydrophobicContact CE2-CD1 3.77Å; F230-L236 HydrophobicContact CG-CB 4.39Å; F230-H239 HydrophobicContact CE1-CB 4.04Å; F230-H239 HydrophobicContact CE2-CB 3.85Å; F230-H239 AromaticContact CE2-CD2 3.36Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.45Å; F230-H239 AromaticContact CE2-CG 3.6Å; F230-H239 HydrophobicContact CZ-CB 3.46Å; F230-H239 VanDerWaalsContact CZ-CB 3.46Å; F230-H239 AromaticContact CZ-CD2 3.42Å; F230-H239 VanDerWaalsContact CZ-CD2 3.42Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.4Å; F230-H239 AromaticContact CZ-CG 3.2Å; F230-H239 AromaticContact CZ-ND1 3.65Å; F230-H239 AromaticContact CZ-NE2 3.92Å
231T95.2Very high95.6Very high29 Ų2968 Ų6818%0.17835%0.352CS..SBendtrans-79.6-17.717755.70000113.2R213 K219R213-T231 HydrophobicContact CB-CG2 3.98Å; R213-T231 PolarHBondContact NH1-O 3.3Å; K219-T231 HydrophobicContact CG-CG2 3.81Å
232K95Very high95.4Very high90 Ų9069.6 Ų69.639%0.39137%0.366SS..SBendtrans-131.7138.1-179.9-65.8-177.3-176.5177.10111V210 S234 H235 L236V210-K232 HydrophobicContact CG1-CD 4.12Å; V210-K232 HydrophobicContact CG1-CG 3.64Å; K232-S234 VanDerWaalsContact C-N 3.29Å; K232-S234 PolarHBondContact O-N 2.93Å; K232-H235 HydrophobicContact CB-CB 4.44Å; K232-H235 WeakPolarHBondContact O-CB 3.36Å; K232-H235 PolarHBondContact O-N 2.97Å; K232-H235 VanDerWaalsContact O-N 3.14Å; K232-L236 PolarHBondContact O-N 3.48Å
233S96.1Very high95.3Very high64 Ų6467.5 Ų67.545%0.44836%0.358SS..Hα-helixtrans-61.5-36.6176.9171.60000112.1H235 L236 K237S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 PolarHBondContact O-N 3.18Å; S233-L236 WeakPolarHBondContact O-CB 3.46Å; S233-L236 PolarHBondContact O-N 2.89Å; S233-L236 VanDerWaalsContact O-N 3.15Å; S233-K237 PolarHBondContact O-N 3.15Å
234S94.6Very high95.2Very high71 Ų7172.3 Ų72.350%0.49739%0.387SS..Hα-helixtrans-61.3-35.2175.956.20000113K232 K237 V238K232-S234 VanDerWaalsContact C-N 3.29Å; K232-S234 PolarHBondContact O-N 2.93Å; S234-K237 PolarHBondContact O-N 3.15Å; S234-V238 WeakPolarHBondContact O-CG2 3.13Å; S234-V238 PolarHBondContact O-N 3.14Å; S234-V238 VanDerWaalsContact O-N 3.07Å
235H95.8Very high95.1Very high89 Ų8967.7 Ų67.741%0.41237%0.374SS..Hα-helixtrans-69.9-39.7175.7-63.1177000111.2F230 K232 S233 V238 H239F230-H235 HydrophobicContact CB-CB 4.17Å; F230-H235 HydrophobicContact CD1-CB 3.88Å; F230-H235 HydrophobicContact CG-CB 4.24Å; K232-H235 HydrophobicContact CB-CB 4.44Å; K232-H235 WeakPolarHBondContact O-CB 3.36Å; K232-H235 PolarHBondContact O-N 2.97Å; K232-H235 VanDerWaalsContact O-N 3.14Å; S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 PolarHBondContact O-N 3.18Å; H235-V238 PolarHBondContact O-N 3.23Å; H235-H239 VanDerWaalsContact O-CB 3.26Å; H235-H239 WeakPolarHBondContact O-CB 3.36Å; H235-H239 PolarHBondContact O-N 3.33Å
236L96.3Very high95.1Very high24 Ų2466 Ų6613%0.12637%0.365CS..Hα-helixtrans-60.1-46.6172.3178.868.1000110.9C223 F230 K232 S233 V238 H239 H240C223-L236 HydrophobicContact CB-CD1 3.61Å; F230-L236 HydrophobicContact CB-CB 4.47Å; F230-L236 HydrophobicContact CD2-CB 3.94Å; F230-L236 HydrophobicContact CD2-CD1 3.6Å; F230-L236 HydrophobicContact CD2-CG 4.41Å; F230-L236 HydrophobicContact CE2-CD1 3.77Å; F230-L236 HydrophobicContact CG-CB 4.39Å; K232-L236 PolarHBondContact O-N 3.48Å; S233-L236 WeakPolarHBondContact O-CB 3.46Å; S233-L236 PolarHBondContact O-N 2.89Å; S233-L236 VanDerWaalsContact O-N 3.15Å; L236-V238 VanDerWaalsContact C-N 3.34Å; L236-V238 PolarHBondContact O-N 3Å; L236-H239 CarbonylContact O-C 3.36Å; L236-H239 WeakPolarHBondContact O-CA 3.31Å; L236-H239 WeakPolarHBondContact O-CB 3.49Å; L236-H239 PolarHBondContact O-N 3.15Å; L236-H240 VanDerWaalsContact CD1-CD2 3.49Å; L236-H240 WeakPolarHBondContact CD1-CD2 3.07Å; L236-H240 VanDerWaalsContact CD1-NE2 3.27Å; L236-H240 WeakPolarHBondContact CD1-NE2 3.41Å; L236-H240 PolarHBondContact O-CD2 3.3Å; L236-H240 PolarHBondContact O-N 2.76Å
237K95.5Very high95.1Very high144 Ų14469 Ų6963%0.62637%0.372SS*.Hα-helixtrans-59.3-43.4178.7-175.1173.2-176.1172.20112.4S233 S234 H239S233-K237 PolarHBondContact O-N 3.15Å; S234-K237 PolarHBondContact O-N 3.15Å; K237-H239 VanDerWaalsContact C-N 3.32Å
238V95.4Very high95.1Very high41 Ų4170.5 Ų70.525%0.24838%0.375CS..Hα-helixtrans-66.8-37.7174.9172.30000110.9S234 H235 L236 R241 Q260S234-V238 WeakPolarHBondContact O-CG2 3.13Å; S234-V238 PolarHBondContact O-N 3.14Å; S234-V238 VanDerWaalsContact O-N 3.07Å; H235-V238 PolarHBondContact O-N 3.23Å; L236-V238 VanDerWaalsContact C-N 3.34Å; L236-V238 PolarHBondContact O-N 3Å; V238-R241 WeakPolarHBondContact O-CB 3.21Å; V238-R241 PolarHBondContact O-N 3.25Å; V238-Q260 HydrophobicContact CG1-CG 3.56Å
239H95.8Very high95.2Very high18 Ų1868.1 Ų68.18%0.08336%0.363CS..Hα-helixtrans-65-39.8177.3173.166.8000113C226 F230 H235 L236 K237 R241 L242 H243C226-H239 PolarHBondContact SG-NE2 3.46Å; F230-H239 HydrophobicContact CE1-CB 4.04Å; F230-H239 HydrophobicContact CE2-CB 3.85Å; F230-H239 AromaticContact CE2-CD2 3.36Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.45Å; F230-H239 AromaticContact CE2-CG 3.6Å; F230-H239 HydrophobicContact CZ-CB 3.46Å; F230-H239 VanDerWaalsContact CZ-CB 3.46Å; F230-H239 AromaticContact CZ-CD2 3.42Å; F230-H239 VanDerWaalsContact CZ-CD2 3.42Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.4Å; F230-H239 AromaticContact CZ-CG 3.2Å; F230-H239 AromaticContact CZ-ND1 3.65Å; F230-H239 AromaticContact CZ-NE2 3.92Å; H235-H239 VanDerWaalsContact O-CB 3.26Å; H235-H239 WeakPolarHBondContact O-CB 3.36Å; H235-H239 PolarHBondContact O-N 3.33Å; L236-H239 CarbonylContact O-C 3.36Å; L236-H239 WeakPolarHBondContact O-CA 3.31Å; L236-H239 WeakPolarHBondContact O-CB 3.49Å; L236-H239 PolarHBondContact O-N 3.15Å; K237-H239 VanDerWaalsContact C-N 3.32Å; H239-R241 PolarHBondContact O-N 3.21Å; H239-R241 VanDerWaalsContact O-N 3.11Å; H239-L242 VanDerWaalsContact O-CB 3.25Å; H239-L242 WeakPolarHBondContact O-CB 3.36Å; H239-L242 WeakPolarHBondContact O-CG 3.12Å; H239-L242 PolarHBondContact O-N 3.46Å; H239-H243 AromaticContact CE1-NE2 3.83Å; H239-H243 AromaticContact NE2-NE2 3.4Å; H239-H243 PolarHBondContact NE2-NE2 3.15Å
240H95.3Very high95.2Very high65 Ų6572.1 Ų72.130%0.30138%0.376SS..Hα-helixtrans-56.3-28.5177-82.8-139.1000112.7L236 L242 H243 T244L236-H240 VanDerWaalsContact CD1-CD2 3.49Å; L236-H240 WeakPolarHBondContact CD1-CD2 3.07Å; L236-H240 VanDerWaalsContact CD1-NE2 3.27Å; L236-H240 WeakPolarHBondContact CD1-NE2 3.41Å; L236-H240 PolarHBondContact O-CD2 3.3Å; L236-H240 PolarHBondContact O-N 2.76Å; H240-L242 PolarHBondContact O-N 3.47Å; H240-L242 VanDerWaalsContact O-N 3.16Å; H240-H243 WeakPolarHBondContact O-CB 3.43Å; H240-H243 PolarHBondContact O-N 2.94Å; H240-T244 PolarHBondContact O-N 2.83Å; H240-T244 VanDerWaalsContact O-N 3.09Å; H240-T244 PolarHBondContact O-OG1 3.02Å
241R95.4Very high95.2Very high39 Ų3970.1 Ų70.115%0.14737%0.367CS..Hα-helixtrans-61.6-21174.3-63.9-175.9175.1144.64.4114V238 H239 H243 G245 D246 T259V238-R241 WeakPolarHBondContact O-CB 3.21Å; V238-R241 PolarHBondContact O-N 3.25Å; H239-R241 PolarHBondContact O-N 3.21Å; H239-R241 VanDerWaalsContact O-N 3.11Å; R241-H243 VanDerWaalsContact C-N 3.33Å; R241-G245 CarbonylContact O-C 3.47Å; R241-G245 WeakPolarHBondContact O-CA 3.39Å; R241-G245 PolarHBondContact O-N 3.49Å; R241-D246 HydrophobicContact CB-CB 4.41Å; R241-D246 WeakPolarHBondContact CB-O 3.44Å; R241-D246 HydrophobicContact CG-CB 4.22Å; R241-D246 IonicContact NE-OD2 3.07Å; R241-D246 PolarHBondContact O-N 2.78Å; R241-T259 HydrophobicContact CB-CG2 4.19Å; R241-T259 WeakPolarHBondContact CD-O 3.46Å; R241-T259 PolarHBondContact NH1-O 2.77Å
242L93Very high95.2Very high116 Ų11676.1 Ų76.161%0.60740%0.398SS*.Hα-helixtrans-72.1-29.9173.1-59.1178.7000111.9H239 H240H239-L242 VanDerWaalsContact O-CB 3.25Å; H239-L242 WeakPolarHBondContact O-CB 3.36Å; H239-L242 WeakPolarHBondContact O-CG 3.12Å; H239-L242 PolarHBondContact O-N 3.46Å; H240-L242 PolarHBondContact O-N 3.47Å; H240-L242 VanDerWaalsContact O-N 3.16Å
243H94.5Very high95.1Very high80 Ų8078 Ų7837%0.3741%0.408SS..Hα-helixtrans-82.4-44.2177.7-65.7-59.1000111.5C223 D225 C226 H239 H240 R241 G245C223-H243 VanDerWaalsContact SG-CD2 3.58Å; C223-H243 PolarHBondContact SG-NE2 2.93Å; D225-H243 HydrophobicContact CB-CB 4.49Å; D225-H243 IonicContact OD2-CD2 3.57Å; D225-H243 IonicContact OD2-CG 3.79Å; C226-H243 PolarHBondContact SG-NE2 3.3Å; C226-H243 VanDerWaalsContact SG-NE2 3.36Å; H239-H243 AromaticContact CE1-NE2 3.83Å; H239-H243 AromaticContact NE2-NE2 3.4Å; H239-H243 PolarHBondContact NE2-NE2 3.15Å; H240-H243 WeakPolarHBondContact O-CB 3.43Å; H240-H243 PolarHBondContact O-N 2.94Å; R241-H243 VanDerWaalsContact C-N 3.33Å; H243-G245 VanDerWaalsContact C-N 3.27Å; H243-G245 PolarHBondContact O-N 2.81Å
244T93.7Very high95.1Very high101 Ų10177.4 Ų77.462%0.6240%0.403SS*.Hα-helixtrans-78.4-13.3-179.962.50000113.4H240 D246H240-T244 PolarHBondContact O-N 2.83Å; H240-T244 VanDerWaalsContact O-N 3.09Å; H240-T244 PolarHBondContact O-OG1 3.02Å; T244-D246 PolarHBondContact O-N 3.21Å; T244-D246 WeakPolarHBondContact OG1-CB 3.24Å; T244-D246 PolarHBondContact OG1-N 3.03Å
245G92.6Very high95.1Very high47 Ų4775.7 Ų75.749%0.48540%0.397SS..  trans68.56.5-170.400000113.9R241 H243 K247R241-G245 CarbonylContact O-C 3.47Å; R241-G245 WeakPolarHBondContact O-CA 3.39Å; R241-G245 PolarHBondContact O-N 3.49Å; H243-G245 VanDerWaalsContact C-N 3.27Å; H243-G245 PolarHBondContact O-N 2.81Å; G245-K247 PolarHBondContact O-N 3.41Å
246D94.8Very high95.1Very high73 Ų7377.5 Ų77.539%0.3940%0.403SS..  trans-62121.4-176.4175.632.4000111.7R241 T244 P248R241-D246 HydrophobicContact CB-CB 4.41Å; R241-D246 WeakPolarHBondContact CB-O 3.44Å; R241-D246 HydrophobicContact CG-CB 4.22Å; R241-D246 IonicContact NE-OD2 3.07Å; R241-D246 PolarHBondContact O-N 2.78Å; T244-D246 PolarHBondContact O-N 3.21Å; T244-D246 WeakPolarHBondContact OG1-CB 3.24Å; T244-D246 PolarHBondContact OG1-N 3.03Å; D246-P248 WeakPolarHBondContact OD1-CD 3.26Å; D246-P248 WeakPolarHBondContact OD1-CG 3.42Å; D246-P248 WeakPolarHBondContact OD2-CG 3.41Å
247K95.3Very high95.2Very high115 Ų11578.4 Ų78.450%0.541%0.412SS..  trans-128.576.3-179.4-70.1170.7-177.8-176.40110.1G245 Y249 S257 F258 T259G245-K247 PolarHBondContact O-N 3.41Å; K247-Y249 PolarHBondContact O-N 3.1Å; K247-Y249 VanDerWaalsContact O-N 3.11Å; K247-S257 WeakPolarHBondContact CD-O 3.44Å; K247-F258 CarbonylContact C-O 3.39Å; K247-F258 VanDerWaalsContact C-O 3.31Å; K247-F258 VanDerWaalsContact CA-O 3.31Å; K247-F258 WeakPolarHBondContact CA-O 3.41Å; K247-T259 HydrophobicContact CG-CG2 3.84Å
248P94.5Very high95.2Very high67 Ų6773.6 Ų73.644%0.43539%0.391SS..  trans-65.5-19.6-172.5-21.832.9000114.5D246D246-P248 WeakPolarHBondContact OD1-CD 3.26Å; D246-P248 WeakPolarHBondContact OD1-CG 3.42Å; D246-P248 WeakPolarHBondContact OD2-CG 3.41Å
249Y97Very high95.2Very high75 Ų7572.8 Ų72.829%0.29439%0.386SS..EExtended strand (participates in β ladder)trans-100.793.9-171.1-54.8-72.8000110.2K247 S257 F258 F261K247-Y249 PolarHBondContact O-N 3.1Å; K247-Y249 VanDerWaalsContact O-N 3.11Å; Y249-S257 CarbonylContact O-C 3.37Å; Y249-S257 WeakPolarHBondContact O-CA 3.34Å; Y249-F258 WeakPolarHBondContact CD2-O 3.43Å; Y249-F258 PolarHBondContact N-O 3.02Å; Y249-F258 PolarHBondContact O-N 3.19Å; Y249-F261 HydrophobicContact CD1-CB 3.92Å; Y249-F261 AromaticContact CD1-CD2 3.89Å; Y249-F261 HydrophobicContact CD1-CD2 3.89Å; Y249-F261 HydrophobicContact CD1-CG 4.41Å; Y249-F261 HydrophobicContact CD2-CB 4.45Å; Y249-F261 VanDerWaalsContact CD2-N 3.33Å; Y249-F261 HydrophobicContact CE1-CB 3.74Å; Y249-F261 HydrophobicContact CE1-CD2 4.16Å; Y249-F261 HydrophobicContact CE1-CG 4.38Å; Y249-F261 HydrophobicContact CE2-CB 4.29Å; Y249-F261 HydrophobicContact CG-CB 4.26Å
250K97Very high95.1Very high124 Ų12475.5 Ų75.554%0.53940%0.399SS..EExtended strand (participates in β ladder)trans-90.2136.6179.3-172.2173.5178.8-175.80111.4
251C96.8Very high95.2Very high1 Ų177.9 Ų77.91%0.00741%0.409CS..  trans-79.2122.7166.4175.60000109.1E253 C254 G255 K256 L264 H267 H271C251-E253 VanDerWaalsContact C-N 3.32Å; C251-E253 PolarHBondContact O-N 3.07Å; C251-C254 VanDerWaalsContact SG-SG 3.62Å; C251-G255 WeakPolarHBondContact O-CA 3.48Å; C251-G255 PolarHBondContact O-N 3.23Å; C251-K256 WeakPolarHBondContact CB-O 3.3Å; C251-K256 PolarHBondContact N-O 3.41Å; C251-L264 HydrophobicContact CB-CD1 3.64Å; C251-H267 PolarHBondContact SG-NE2 2.87Å; C251-H271 PolarHBondContact SG-NE2 3.27Å; C251-H271 VanDerWaalsContact SG-NE2 3.39Å
252N94.8Very high95.1Very high155 Ų15579.1 Ų79.183%0.82942%0.423SS*.THydrogen-bonded Turntrans-71.4-26.9-178.7-65.6-14.7000112.9
253E93.5Very high95.2Very high128 Ų12876.3 Ų76.360%0.59841%0.408SS*.THydrogen-bonded Turntrans-79.8-32.7-176.4-68.3167.3166.200113.4C251 H271C251-E253 VanDerWaalsContact C-N 3.32Å; C251-E253 PolarHBondContact O-N 3.07Å; E253-H271 WeakPolarHBondContact OE2-CB 3.28Å; E253-H271 IonicContact OE2-CD2 3.79Å; E253-H271 PolarHBondContact OE2-CD2 3.31Å; E253-H271 IonicContact OE2-CG 3.55Å; E253-H271 IonicContact OE2-NE2 2.89Å
254C95.8Very high95.2Very high53 Ų5373 Ų7336%0.35839%0.394SS..THydrogen-bonded Turntrans-129.34.2-17873.80000114.9C251 K256 H267C251-C254 VanDerWaalsContact SG-SG 3.62Å; C254-K256 PolarHBondContact O-N 2.89Å; C254-H267 VanDerWaalsContact SG-CE1 3.59Å; C254-H267 PolarHBondContact SG-NE2 3.34Å
255G94.6Very high95.3Very high34 Ų3473.9 Ų73.935%0.35139%0.389SS..  trans70.8-7.7179.700000116.1C251 S257C251-G255 WeakPolarHBondContact O-CA 3.48Å; C251-G255 PolarHBondContact O-N 3.23Å; G255-S257 PolarHBondContact O-N 3.3Å; G255-S257 PolarHBondContact O-OG 3.06Å
256K96.5Very high95.3Very high127 Ų12773.2 Ų73.255%0.55238%0.375SS*.  trans-61.4132.8178.9-70.8-179.3-176.8173.20110.9C251 C254 F258C251-K256 WeakPolarHBondContact CB-O 3.3Å; C251-K256 PolarHBondContact N-O 3.41Å; C254-K256 PolarHBondContact O-N 2.89Å; K256-F258 HydrophobicContact CB-CE2 4.04Å; K256-F258 HydrophobicContact CB-CZ 4.14Å; K256-F258 WeakPolarHBondContact O-CE2 3.38Å
257S96.8Very high95.3Very high43 Ų4370.7 Ų70.730%0.30136%0.361SS..EExtended strand (participates in β ladder)trans-112.2147.3-178-58.30000112K247 Y249 G255K247-S257 WeakPolarHBondContact CD-O 3.44Å; Y249-S257 CarbonylContact O-C 3.37Å; Y249-S257 WeakPolarHBondContact O-CA 3.34Å; G255-S257 PolarHBondContact O-N 3.3Å; G255-S257 PolarHBondContact O-OG 3.06Å
258F95.7Very high95.3Very high43 Ų4368.9 Ų68.919%0.18935%0.354CS..EExtended strand (participates in β ladder)trans-128.9150.5-173.9-59.2-89.2000111.6K247 Y249 K256 Q260 D263 L264 H267K247-F258 CarbonylContact C-O 3.39Å; K247-F258 VanDerWaalsContact C-O 3.31Å; K247-F258 VanDerWaalsContact CA-O 3.31Å; K247-F258 WeakPolarHBondContact CA-O 3.41Å; Y249-F258 WeakPolarHBondContact CD2-O 3.43Å; Y249-F258 PolarHBondContact N-O 3.02Å; Y249-F258 PolarHBondContact O-N 3.19Å; K256-F258 HydrophobicContact CB-CE2 4.04Å; K256-F258 HydrophobicContact CB-CZ 4.14Å; K256-F258 WeakPolarHBondContact O-CE2 3.38Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; F258-D263 HydrophobicContact CB-CB 4.18Å; F258-D263 HydrophobicContact CD1-CB 3.85Å; F258-D263 HydrophobicContact CG-CB 4.25Å; F258-L264 HydrophobicContact CB-CB 4.39Å; F258-L264 HydrophobicContact CD2-CB 3.85Å; F258-L264 HydrophobicContact CD2-CD1 3.85Å; F258-L264 HydrophobicContact CD2-CG 4.46Å; F258-L264 HydrophobicContact CE2-CD1 3.98Å; F258-L264 HydrophobicContact CG-CB 4.29Å; F258-H267 HydrophobicContact CE1-CB 3.97Å; F258-H267 HydrophobicContact CE2-CB 3.81Å; F258-H267 AromaticContact CE2-CD2 3.46Å; F258-H267 VanDerWaalsContact CE2-CD2 3.46Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.22Å; F258-H267 AromaticContact CE2-CG 3.55Å; F258-H267 HydrophobicContact CZ-CB 3.39Å; F258-H267 AromaticContact CZ-CD2 3.59Å; F258-H267 AromaticContact CZ-CG 3.2Å; F258-H267 AromaticContact CZ-ND1 3.56Å
259T94.8Very high95.3Very high25 Ų2568.4 Ų68.415%0.15334%0.344CS..SBendtrans-77.5-20.6177.558.70000112.5R241 K247R241-T259 HydrophobicContact CB-CG2 4.19Å; R241-T259 WeakPolarHBondContact CD-O 3.46Å; R241-T259 PolarHBondContact NH1-O 2.77Å; K247-T259 HydrophobicContact CG-CG2 3.84Å
260Q95.4Very high95.1Very high74 Ų7469.4 Ų69.435%0.34635%0.353SS..SBendtrans-133.2143.9179.9-61.3-179.889.500111.8V238 F258 S262 D263 L264V238-Q260 HydrophobicContact CG1-CG 3.56Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; Q260-S262 VanDerWaalsContact C-N 3.32Å; Q260-S262 PolarHBondContact O-N 3.2Å; Q260-D263 PolarHBondContact NE2-OD2 3.1Å; Q260-D263 PolarHBondContact O-N 2.77Å; Q260-L264 PolarHBondContact O-N 2.77Å
261F95.7Very high95Very high116 Ų11667 Ų6751%0.50934%0.344SS..Hα-helixtrans-64.1-34.9179.4-178.3-106.1000113Y249 D263 L264 K265Y249-F261 HydrophobicContact CD1-CB 3.92Å; Y249-F261 AromaticContact CD1-CD2 3.89Å; Y249-F261 HydrophobicContact CD1-CD2 3.89Å; Y249-F261 HydrophobicContact CD1-CG 4.41Å; Y249-F261 HydrophobicContact CD2-CB 4.45Å; Y249-F261 VanDerWaalsContact CD2-N 3.33Å; Y249-F261 HydrophobicContact CE1-CB 3.74Å; Y249-F261 HydrophobicContact CE1-CD2 4.16Å; Y249-F261 HydrophobicContact CE1-CG 4.38Å; Y249-F261 HydrophobicContact CE2-CB 4.29Å; Y249-F261 HydrophobicContact CG-CB 4.26Å; F261-D263 PolarHBondContact O-N 2.85Å; F261-L264 HydrophobicContact CD2-CD2 4.43Å; F261-L264 PolarHBondContact O-N 3.36Å; F261-K265 PolarHBondContact O-N 2.94Å
262S93.7Very high94.8Very high64 Ų6471.4 Ų71.445%0.44837%0.371SS..Hα-helixtrans-61.1-35.5175.951.60000112.3Q260 K265 V266Q260-S262 VanDerWaalsContact C-N 3.32Å; Q260-S262 PolarHBondContact O-N 3.2Å; S262-K265 PolarHBondContact O-N 3.32Å; S262-V266 WeakPolarHBondContact O-CG2 3.43Å; S262-V266 PolarHBondContact O-N 2.9Å; S262-V266 VanDerWaalsContact O-N 3.08Å
263D94.8Very high94.6Very high57 Ų5766.3 Ų66.331%0.30536%0.355SS..Hα-helixtrans-71.7-40.7178.9-63.5-34.9000110.7F258 Q260 F261 V266 H267F258-D263 HydrophobicContact CB-CB 4.18Å; F258-D263 HydrophobicContact CD1-CB 3.85Å; F258-D263 HydrophobicContact CG-CB 4.25Å; Q260-D263 PolarHBondContact NE2-OD2 3.1Å; Q260-D263 PolarHBondContact O-N 2.77Å; F261-D263 PolarHBondContact O-N 2.85Å; D263-V266 PolarHBondContact O-N 3.42Å; D263-H267 VanDerWaalsContact O-CB 3.24Å; D263-H267 WeakPolarHBondContact O-CB 3.31Å; D263-H267 PolarHBondContact O-N 3.3Å
264L95.8Very high94.6Very high11 Ų1163.7 Ų63.76%0.05835%0.345CS..Hα-helixtrans-58.7-48.8170.5173.262.5000111.4C251 F258 Q260 F261 V266 H267 Q268C251-L264 HydrophobicContact CB-CD1 3.64Å; F258-L264 HydrophobicContact CB-CB 4.39Å; F258-L264 HydrophobicContact CD2-CB 3.85Å; F258-L264 HydrophobicContact CD2-CD1 3.85Å; F258-L264 HydrophobicContact CD2-CG 4.46Å; F258-L264 HydrophobicContact CE2-CD1 3.98Å; F258-L264 HydrophobicContact CG-CB 4.29Å; Q260-L264 PolarHBondContact O-N 2.77Å; F261-L264 HydrophobicContact CD2-CD2 4.43Å; F261-L264 PolarHBondContact O-N 3.36Å; L264-V266 VanDerWaalsContact C-N 3.31Å; L264-V266 PolarHBondContact O-N 3.13Å; L264-H267 CarbonylContact O-C 3.48Å; L264-H267 WeakPolarHBondContact O-CA 3.47Å; L264-H267 WeakPolarHBondContact O-CB 3.31Å; L264-H267 PolarHBondContact O-N 2.84Å; L264-Q268 HydrophobicContact CD1-CG 4.13Å; L264-Q268 HydrophobicContact CG-CG 4.47Å; L264-Q268 WeakPolarHBondContact O-CG 3.43Å; L264-Q268 PolarHBondContact O-N 2.97Å
265K94.9Very high94.5Very high120 Ų12066.6 Ų66.652%0.52235%0.351SS..Hα-helixtrans-60.5-40.6-178.6-175.1170.5-176.1171.20112.4F261 S262F261-K265 PolarHBondContact O-N 2.94Å; S262-K265 PolarHBondContact O-N 3.32Å
266V93.8Very high94.4Very high32 Ų3268.3 Ų68.319%0.19436%0.356CS..Hα-helixtrans-72.6-33.8175.4178.10000111.4S262 D263 L264 R269 K288S262-V266 WeakPolarHBondContact O-CG2 3.43Å; S262-V266 PolarHBondContact O-N 2.9Å; S262-V266 VanDerWaalsContact O-N 3.08Å; D263-V266 PolarHBondContact O-N 3.42Å; L264-V266 VanDerWaalsContact C-N 3.31Å; L264-V266 PolarHBondContact O-N 3.13Å; V266-R269 VanDerWaalsContact O-CB 3.32Å; V266-R269 WeakPolarHBondContact O-CB 3.22Å; V266-R269 PolarHBondContact O-N 3.17Å; V266-K288 HydrophobicContact CG1-CD 4.04Å; V266-K288 HydrophobicContact CG1-CG 3.57Å
267H94.8Very high94.3Very high21 Ų2163.2 Ų63.210%0.09734%0.337CS..Hα-helixtrans-63.4-43.3174.2165.476.3000112C251 C254 F258 D263 L264 R269 I270 H271C251-H267 PolarHBondContact SG-NE2 2.87Å; C254-H267 VanDerWaalsContact SG-CE1 3.59Å; C254-H267 PolarHBondContact SG-NE2 3.34Å; F258-H267 HydrophobicContact CE1-CB 3.97Å; F258-H267 HydrophobicContact CE2-CB 3.81Å; F258-H267 AromaticContact CE2-CD2 3.46Å; F258-H267 VanDerWaalsContact CE2-CD2 3.46Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.22Å; F258-H267 AromaticContact CE2-CG 3.55Å; F258-H267 HydrophobicContact CZ-CB 3.39Å; F258-H267 AromaticContact CZ-CD2 3.59Å; F258-H267 AromaticContact CZ-CG 3.2Å; F258-H267 AromaticContact CZ-ND1 3.56Å; D263-H267 VanDerWaalsContact O-CB 3.24Å; D263-H267 WeakPolarHBondContact O-CB 3.31Å; D263-H267 PolarHBondContact O-N 3.3Å; L264-H267 CarbonylContact O-C 3.48Å; L264-H267 WeakPolarHBondContact O-CA 3.47Å; L264-H267 WeakPolarHBondContact O-CB 3.31Å; L264-H267 PolarHBondContact O-N 2.84Å; H267-R269 PolarHBondContact O-N 3.2Å; H267-I270 WeakPolarHBondContact CE1-CD1 3.32Å; H267-I270 WeakPolarHBondContact ND1-CD1 3.41Å; H267-I270 WeakPolarHBondContact O-CG1 3.48Å; H267-I270 WeakPolarHBondContact O-CG2 3.38Å; H267-I270 PolarHBondContact O-N 2.79Å; H267-H271 AromaticContact CE1-NE2 3.78Å; H267-H271 AromaticContact NE2-NE2 3.28Å; H267-H271 PolarHBondContact NE2-NE2 3.01Å
268Q94.9Very high94.2Very high76 Ų7667.2 Ų67.236%0.35535%0.348SS..Hα-helixtrans-55.5-25.5179.1-74.7173.2-46.700113.4L264 I270 H271 T272L264-Q268 HydrophobicContact CD1-CG 4.13Å; L264-Q268 HydrophobicContact CG-CG 4.47Å; L264-Q268 WeakPolarHBondContact O-CG 3.43Å; L264-Q268 PolarHBondContact O-N 2.97Å; Q268-I270 PolarHBondContact O-N 3.5Å; Q268-I270 VanDerWaalsContact O-N 3.16Å; Q268-H271 PolarHBondContact O-N 3.29Å; Q268-T272 PolarHBondContact O-N 3.08Å
269R94.5Very high94.2Very high58 Ų5865.1 Ų65.122%0.21934%0.339CS..Hα-helixtrans-60.9-20.7174-65.3-177.6173.1162.5-0.1114.5V266 H267 H271 T272 G273 D274 T287V266-R269 VanDerWaalsContact O-CB 3.32Å; V266-R269 WeakPolarHBondContact O-CB 3.22Å; V266-R269 PolarHBondContact O-N 3.17Å; H267-R269 PolarHBondContact O-N 3.2Å; R269-H271 VanDerWaalsContact C-N 3.27Å; R269-T272 WeakPolarHBondContact CA-OG1 3.43Å; R269-G273 CarbonylContact O-C 3.57Å; R269-G273 WeakPolarHBondContact O-CA 3.46Å; R269-G273 PolarHBondContact O-N 2.89Å; R269-D274 HydrophobicContact CB-CB 4.45Å; R269-D274 WeakPolarHBondContact CB-O 3.09Å; R269-D274 HydrophobicContact CG-CB 4.28Å; R269-D274 IonicContact NE-OD2 2.85Å; R269-D274 PolarHBondContact O-N 2.81Å; R269-T287 HydrophobicContact CB-CG2 4.07Å; R269-T287 PolarHBondContact NH1-O 3.34Å
270I93.3Very high94.1Very high95 Ų9571 Ų7149%0.48737%0.37SS..Hα-helixtrans-70-30.1175.278.6-177.9000111.6H267 Q268H267-I270 WeakPolarHBondContact CE1-CD1 3.32Å; H267-I270 WeakPolarHBondContact ND1-CD1 3.41Å; H267-I270 WeakPolarHBondContact O-CG1 3.48Å; H267-I270 WeakPolarHBondContact O-CG2 3.38Å; H267-I270 PolarHBondContact O-N 2.79Å; Q268-I270 PolarHBondContact O-N 3.5Å; Q268-I270 VanDerWaalsContact O-N 3.16Å
271H94.3Very high94Very high73 Ų7372.5 Ų72.534%0.33838%0.38SS..Hα-helixtrans-85.4-39.2-178-55.8-56000110.9C251 E253 H267 Q268 R269 G273C251-H271 PolarHBondContact SG-NE2 3.27Å; C251-H271 VanDerWaalsContact SG-NE2 3.39Å; E253-H271 WeakPolarHBondContact OE2-CB 3.28Å; E253-H271 IonicContact OE2-CD2 3.79Å; E253-H271 PolarHBondContact OE2-CD2 3.31Å; E253-H271 IonicContact OE2-CG 3.55Å; E253-H271 IonicContact OE2-NE2 2.89Å; H267-H271 AromaticContact CE1-NE2 3.78Å; H267-H271 AromaticContact NE2-NE2 3.28Å; H267-H271 PolarHBondContact NE2-NE2 3.01Å; Q268-H271 PolarHBondContact O-N 3.29Å; R269-H271 VanDerWaalsContact C-N 3.27Å; H271-G273 VanDerWaalsContact C-N 3.27Å; H271-G273 PolarHBondContact O-N 3.5Å
272T92.6Very high93.9Very high95 Ų9569.6 Ų69.658%0.58337%0.374SS*.Hα-helixtrans-78.2-12.4175.665.30000113.5Q268 R269 D274Q268-T272 PolarHBondContact O-N 3.08Å; R269-T272 WeakPolarHBondContact CA-OG1 3.43Å; T272-D274 PolarHBondContact O-N 3.21Å; T272-D274 VanDerWaalsContact OG1-CB 3.23Å; T272-D274 WeakPolarHBondContact OG1-CB 3.38Å; T272-D274 PolarHBondContact OG1-N 3.19Å
273G91Very high93.9Very high47 Ų4768.3 Ų68.349%0.48537%0.37SS..  trans68.54.5-170.700000114.4R269 H271 K275R269-G273 CarbonylContact O-C 3.57Å; R269-G273 WeakPolarHBondContact O-CA 3.46Å; R269-G273 PolarHBondContact O-N 2.89Å; H271-G273 VanDerWaalsContact C-N 3.27Å; H271-G273 PolarHBondContact O-N 3.5Å; G273-K275 PolarHBondContact O-N 3.38Å
274D93.3Very high93.9Very high73 Ų7371.7 Ų71.739%0.3938%0.382SS..  trans-64.4120.4-174.9177.229.8000111.8R269 T272 P276R269-D274 HydrophobicContact CB-CB 4.45Å; R269-D274 WeakPolarHBondContact CB-O 3.09Å; R269-D274 HydrophobicContact CG-CB 4.28Å; R269-D274 IonicContact NE-OD2 2.85Å; R269-D274 PolarHBondContact O-N 2.81Å; T272-D274 PolarHBondContact O-N 3.21Å; T272-D274 VanDerWaalsContact OG1-CB 3.23Å; T272-D274 WeakPolarHBondContact OG1-CB 3.38Å; T272-D274 PolarHBondContact OG1-N 3.19Å; D274-P276 WeakPolarHBondContact OD1-CD 3.4Å; D274-P276 WeakPolarHBondContact OD1-CG 3.47Å; D274-P276 WeakPolarHBondContact OD2-CG 3.45Å
275K93.5Very high93.8Very high114 Ų11473.2 Ų73.250%0.49639%0.394SS..  trans-129.578.3179.6-67.1170.7-176.9-177.30109.8G273 C277 S285 F286 T287G273-K275 PolarHBondContact O-N 3.38Å; K275-C277 PolarHBondContact O-N 2.74Å; K275-C277 VanDerWaalsContact O-N 3.12Å; K275-S285 VanDerWaalsContact CB-CB 3.43Å; K275-S285 WeakPolarHBondContact CD-O 3.24Å; K275-S285 WeakPolarHBondContact O-CB 3.46Å; K275-F286 CarbonylContact C-O 3.39Å; K275-F286 WeakPolarHBondContact CA-O 3.15Å; K275-T287 HydrophobicContact CG-CG2 3.98Å
276P92.3Very high93.7Very high70 Ų7069.7 Ų69.746%0.45538%0.379SS..  trans-66-19.3-172.6-22.433.2000114.5D274 K278D274-P276 WeakPolarHBondContact OD1-CD 3.4Å; D274-P276 WeakPolarHBondContact OD1-CG 3.47Å; D274-P276 WeakPolarHBondContact OD2-CG 3.45Å; P276-K278 PolarHBondContact O-N 3.36Å
277C94.2Very high93.7Very high21 Ų2170 Ų7014%0.14238%0.381CS..EExtended strand (participates in β ladder)trans-98.691-174.2-57.70000110.1K275 S285 F286 L292K275-C277 PolarHBondContact O-N 2.74Å; K275-C277 VanDerWaalsContact O-N 3.12Å; C277-S285 CarbonylContact O-C 3.57Å; C277-S285 WeakPolarHBondContact O-CA 3.31Å; C277-F286 HydrophobicContact CB-CB 4.37Å; C277-F286 WeakPolarHBondContact CB-O 3.42Å; C277-F286 PolarHBondContact N-O 2.99Å; C277-F286 PolarHBondContact O-N 3.18Å; C277-L292 HydrophobicContact CB-CB 4.08Å; C277-L292 HydrophobicContact CB-CD2 3.86Å
278K95.2Very high93.6Very high126 Ų12673.3 Ų73.355%0.54840%0.395SS..EExtended strand (participates in β ladder)trans-87.2137.1177.4-170.7175.2178.6-176.50111.6P276P276-K278 PolarHBondContact O-N 3.36Å
279C95.2Very high93.5Very high0 Ų076.2 Ų76.20%041%0.407CS..  trans-80.2126166.5178.10000109.2D281 G283 K284 F286 L292C279-D281 VanDerWaalsContact C-N 3.34Å; C279-D281 PolarHBondContact SG-N 3.48Å; C279-G283 WeakPolarHBondContact O-CA 3.42Å; C279-G283 PolarHBondContact O-N 3.2Å; C279-K284 WeakPolarHBondContact CB-O 3.4Å; C279-K284 PolarHBondContact N-O 2.85Å; C279-F286 HydrophobicContact CB-CE2 4.49Å; C279-L292 HydrophobicContact CB-CD1 3.54Å
280N93.7Very high93.4Very high148 Ų14876.9 Ų76.979%0.79142%0.42SS*.THydrogen-bonded Turntrans-73.8-28179.6-66-14.4000112.3
281D91.8Very high93.4Very high105 Ų10574.8 Ų74.856%0.56141%0.414SS*.THydrogen-bonded Turntrans-76.9-32.7-175.4-49.3-50.6000113.3C279 H299C279-D281 VanDerWaalsContact C-N 3.34Å; C279-D281 PolarHBondContact SG-N 3.48Å; D281-H299 HydrophobicContact CB-CB 4.3Å; D281-H299 IonicContact OD2-CD2 3.61Å; D281-H299 IonicContact OD2-CG 3.84Å
282C94.8Very high93.4Very high55 Ų5571.8 Ų71.837%0.37240%0.4SS..THydrogen-bonded Turntrans-131.34.7-179.170.50000115.2K284 H295 H299C282-K284 PolarHBondContact O-N 3.08Å; C282-H295 PolarHBondContact SG-NE2 2.94Å; C282-H299 PolarHBondContact SG-NE2 3.35Å; C282-H299 VanDerWaalsContact SG-NE2 3.37Å
283G92.9Very high93.4Very high37 Ų3773.1 Ų73.138%0.38140%0.398SS..  trans71.2-5179.400000115.7C279 S285C279-G283 WeakPolarHBondContact O-CA 3.42Å; C279-G283 PolarHBondContact O-N 3.2Å; G283-S285 PolarHBondContact O-N 3.42Å
284K94.7Very high93.4Very high128 Ų12873.2 Ų73.256%0.55739%0.389SS*.  trans-64.8131.9179.3-71.5-178.7-178.9177.80111.2C279 C282 F286C279-K284 WeakPolarHBondContact CB-O 3.4Å; C279-K284 PolarHBondContact N-O 2.85Å; C282-K284 PolarHBondContact O-N 3.08Å; K284-F286 HydrophobicContact CB-CE2 4.02Å; K284-F286 HydrophobicContact CB-CZ 4.16Å; K284-F286 WeakPolarHBondContact O-CE2 3.5Å
285S94.9Very high93.4Very high44 Ų4470.7 Ų70.731%0.30838%0.375SS..EExtended strand (participates in β ladder)trans-106.7148.1179.5-56.80000112.5K275 C277 G283K275-S285 VanDerWaalsContact CB-CB 3.43Å; K275-S285 WeakPolarHBondContact CD-O 3.24Å; K275-S285 WeakPolarHBondContact O-CB 3.46Å; C277-S285 CarbonylContact O-C 3.57Å; C277-S285 WeakPolarHBondContact O-CA 3.31Å; G283-S285 PolarHBondContact O-N 3.42Å
286F92.9Very high93.4Very high45 Ų4568.4 Ų68.420%0.19737%0.366CS..EExtended strand (participates in β ladder)trans-129.3149.9-176.5-59.3-90.6000111.6K275 C277 C279 K284 K288 L292 H295K275-F286 CarbonylContact C-O 3.39Å; K275-F286 WeakPolarHBondContact CA-O 3.15Å; C277-F286 HydrophobicContact CB-CB 4.37Å; C277-F286 WeakPolarHBondContact CB-O 3.42Å; C277-F286 PolarHBondContact N-O 2.99Å; C277-F286 PolarHBondContact O-N 3.18Å; C279-F286 HydrophobicContact CB-CE2 4.49Å; K284-F286 HydrophobicContact CB-CE2 4.02Å; K284-F286 HydrophobicContact CB-CZ 4.16Å; K284-F286 WeakPolarHBondContact O-CE2 3.5Å; F286-K288 VanDerWaalsContact C-N 3.31Å; F286-L292 HydrophobicContact CB-CB 4.37Å; F286-L292 HydrophobicContact CD2-CB 3.85Å; F286-L292 HydrophobicContact CD2-CD1 3.82Å; F286-L292 HydrophobicContact CD2-CG 4.44Å; F286-L292 HydrophobicContact CE2-CD1 3.94Å; F286-L292 HydrophobicContact CG-CB 4.28Å; F286-H295 HydrophobicContact CE1-CB 4.01Å; F286-H295 HydrophobicContact CE2-CB 3.89Å; F286-H295 AromaticContact CE2-CD2 3.39Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.32Å; F286-H295 AromaticContact CE2-CG 3.59Å; F286-H295 AromaticContact CE2-NE2 4Å; F286-H295 HydrophobicContact CZ-CB 3.46Å; F286-H295 VanDerWaalsContact CZ-CB 3.46Å; F286-H295 AromaticContact CZ-CD2 3.49Å; F286-H295 VanDerWaalsContact CZ-CD2 3.49Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.45Å; F286-H295 AromaticContact CZ-CG 3.2Å; F286-H295 AromaticContact CZ-ND1 3.6Å; F286-H295 AromaticContact CZ-NE2 3.99Å
287T92.6Very high93.4Very high38 Ų3866.9 Ų66.923%0.23335%0.351CS..SBendtrans-76.1-18.4175.858.10000113R269 K275R269-T287 HydrophobicContact CB-CG2 4.07Å; R269-T287 PolarHBondContact NH1-O 3.34Å; K275-T287 HydrophobicContact CG-CG2 3.98Å
288K92.6Very high93.2Very high92 Ų9270.5 Ų70.540%0.437%0.369SS..SBendtrans-131.1138.5-179.7-68.9179.7-178.7-179.30110.9V266 F286 S290 S291 L292V266-K288 HydrophobicContact CG1-CD 4.04Å; V266-K288 HydrophobicContact CG1-CG 3.57Å; F286-K288 VanDerWaalsContact C-N 3.31Å; K288-S290 VanDerWaalsContact C-N 3.3Å; K288-S290 PolarHBondContact O-N 2.9Å; K288-S291 WeakPolarHBondContact O-CB 3.37Å; K288-S291 PolarHBondContact O-N 3.39Å; K288-S291 VanDerWaalsContact O-N 3.17Å; K288-L292 PolarHBondContact O-N 3.46Å
289F93.4Very high93.1Very high136 Ų13668.5 Ų68.560%0.59636%0.361SS*.Hα-helixtrans-62.1-35.7174.7-178.3-100.1000112.8S291 L292 K293F289-S291 VanDerWaalsContact C-N 3.29Å; F289-S291 PolarHBondContact O-N 3.5Å; F289-L292 HydrophobicContact CD2-CD2 4.42Å; F289-L292 WeakPolarHBondContact O-CB 3.47Å; F289-L292 PolarHBondContact O-N 3.42Å; F289-K293 PolarHBondContact O-N 2.77Å
290S91.6Very high92.9Very high73 Ų7373.2 Ų73.251%0.5139%0.39SS..Hα-helixtrans-62.3-36.7176520000112.5K288 K293 V294K288-S290 VanDerWaalsContact C-N 3.3Å; K288-S290 PolarHBondContact O-N 2.9Å; S290-K293 PolarHBondContact O-N 2.9Å; S290-V294 WeakPolarHBondContact O-CG2 3.28Å; S290-V294 PolarHBondContact O-N 3.02Å; S290-V294 VanDerWaalsContact O-N 3.08Å
291S93.2Very high92.7Very high50 Ų5068.2 Ų68.235%0.3537%0.373SS..Hα-helixtrans-66.5-42.5174.5-59.90000111.4K288 F289 V294 H295K288-S291 WeakPolarHBondContact O-CB 3.37Å; K288-S291 PolarHBondContact O-N 3.39Å; K288-S291 VanDerWaalsContact O-N 3.17Å; F289-S291 VanDerWaalsContact C-N 3.29Å; F289-S291 PolarHBondContact O-N 3.5Å; S291-V294 PolarHBondContact O-N 3.07Å; S291-H295 VanDerWaalsContact O-CB 3.28Å; S291-H295 WeakPolarHBondContact O-CB 3.08Å; S291-H295 PolarHBondContact O-N 3.24Å
292L94.4Very high92.8Very high10 Ų1066.8 Ų66.85%0.05237%0.366CS..Hα-helixtrans-59.4-48172.7172.662000111.4C277 C279 F286 K288 F289 V294 H295 Q296C277-L292 HydrophobicContact CB-CB 4.08Å; C277-L292 HydrophobicContact CB-CD2 3.86Å; C279-L292 HydrophobicContact CB-CD1 3.54Å; F286-L292 HydrophobicContact CB-CB 4.37Å; F286-L292 HydrophobicContact CD2-CB 3.85Å; F286-L292 HydrophobicContact CD2-CD1 3.82Å; F286-L292 HydrophobicContact CD2-CG 4.44Å; F286-L292 HydrophobicContact CE2-CD1 3.94Å; F286-L292 HydrophobicContact CG-CB 4.28Å; K288-L292 PolarHBondContact O-N 3.46Å; F289-L292 HydrophobicContact CD2-CD2 4.42Å; F289-L292 WeakPolarHBondContact O-CB 3.47Å; F289-L292 PolarHBondContact O-N 3.42Å; L292-V294 VanDerWaalsContact C-N 3.32Å; L292-V294 PolarHBondContact O-N 2.67Å; L292-H295 CarbonylContact O-C 3.5Å; L292-H295 WeakPolarHBondContact O-CA 3.45Å; L292-H295 WeakPolarHBondContact O-CB 3.46Å; L292-H295 PolarHBondContact O-N 3.45Å; L292-Q296 HydrophobicContact CD1-CG 4.09Å; L292-Q296 HydrophobicContact CG-CG 4.42Å; L292-Q296 WeakPolarHBondContact O-CG 3.36Å; L292-Q296 PolarHBondContact O-N 3.16Å
293K93Very high92.7Very high124 Ų12469.3 Ų69.354%0.53937%0.37SS..Hα-helixtrans-60.5-39.9-179.6-174.8171.3-176.31710112.7F289 S290F289-K293 PolarHBondContact O-N 2.77Å; S290-K293 PolarHBondContact O-N 2.9Å
294V91.7Very high92.6Very high48 Ų4870.5 Ų70.529%0.29137%0.372SS..Hα-helixtrans-68.8-39.2174.5173.50000110.7S290 S291 L292 R297 H316S290-V294 WeakPolarHBondContact O-CG2 3.28Å; S290-V294 PolarHBondContact O-N 3.02Å; S290-V294 VanDerWaalsContact O-N 3.08Å; S291-V294 PolarHBondContact O-N 3.07Å; L292-V294 VanDerWaalsContact C-N 3.32Å; L292-V294 PolarHBondContact O-N 2.67Å; V294-R297 VanDerWaalsContact O-CB 3.29Å; V294-R297 WeakPolarHBondContact O-CB 3.19Å; V294-R297 PolarHBondContact O-N 3.46Å; V294-H316 WeakPolarHBondContact CG1-NE2 3.47Å
295H93Very high92.5Very high20 Ų2068 Ų689%0.09336%0.359CS..Hα-helixtrans-63.4-39.2176.2167.473.9000112.9C282 F286 S291 L292 R297 L298 H299C282-H295 PolarHBondContact SG-NE2 2.94Å; F286-H295 HydrophobicContact CE1-CB 4.01Å; F286-H295 HydrophobicContact CE2-CB 3.89Å; F286-H295 AromaticContact CE2-CD2 3.39Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.32Å; F286-H295 AromaticContact CE2-CG 3.59Å; F286-H295 AromaticContact CE2-NE2 4Å; F286-H295 HydrophobicContact CZ-CB 3.46Å; F286-H295 VanDerWaalsContact CZ-CB 3.46Å; F286-H295 AromaticContact CZ-CD2 3.49Å; F286-H295 VanDerWaalsContact CZ-CD2 3.49Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.45Å; F286-H295 AromaticContact CZ-CG 3.2Å; F286-H295 AromaticContact CZ-ND1 3.6Å; F286-H295 AromaticContact CZ-NE2 3.99Å; S291-H295 VanDerWaalsContact O-CB 3.28Å; S291-H295 WeakPolarHBondContact O-CB 3.08Å; S291-H295 PolarHBondContact O-N 3.24Å; L292-H295 CarbonylContact O-C 3.5Å; L292-H295 WeakPolarHBondContact O-CA 3.45Å; L292-H295 WeakPolarHBondContact O-CB 3.46Å; L292-H295 PolarHBondContact O-N 3.45Å; H295-R297 PolarHBondContact O-N 2.98Å; H295-R297 VanDerWaalsContact O-N 3.08Å; H295-L298 WeakPolarHBondContact O-CB 3.32Å; H295-L298 VanDerWaalsContact O-CG 3.29Å; H295-L298 WeakPolarHBondContact O-CG 3.42Å; H295-L298 PolarHBondContact O-N 3.29Å; H295-H299 AromaticContact CE1-NE2 3.87Å; H295-H299 AromaticContact NE2-NE2 3.46Å; H295-H299 PolarHBondContact NE2-NE2 3.34Å
296Q92.9Very high92.5Very high67 Ų6772.4 Ų72.431%0.31337%0.373SS..Hα-helixtrans-58.8-23.5177.9-76174.2-45.700113.3L292 L298 H299 T300L292-Q296 HydrophobicContact CD1-CG 4.09Å; L292-Q296 HydrophobicContact CG-CG 4.42Å; L292-Q296 WeakPolarHBondContact O-CG 3.36Å; L292-Q296 PolarHBondContact O-N 3.16Å; Q296-L298 PolarHBondContact O-N 2.89Å; Q296-L298 VanDerWaalsContact O-N 3.13Å; Q296-H299 PolarHBondContact O-N 2.8Å; Q296-T300 PolarHBondContact O-N 3.01Å; Q296-T300 PolarHBondContact O-OG1 3.43Å
297R93Very high92.5Very high38 Ų3870.8 Ų70.814%0.14337%0.367CS..THydrogen-bonded Turntrans-62.9-15.3171.1-59179.2177.3159.52.1113.6V294 H295 G301 D302 K315V294-R297 VanDerWaalsContact O-CB 3.29Å; V294-R297 WeakPolarHBondContact O-CB 3.19Å; V294-R297 PolarHBondContact O-N 3.46Å; H295-R297 PolarHBondContact O-N 2.98Å; H295-R297 VanDerWaalsContact O-N 3.08Å; R297-G301 PolarHBondContact O-N 3.14Å; R297-D302 HydrophobicContact CB-CB 4.47Å; R297-D302 HydrophobicContact CG-CB 4.29Å; R297-D302 IonicContact NE-OD2 3.07Å; R297-K315 PolarHBondContact NH1-O 2.91Å; R297-K315 WeakPolarHBondContact O-CE 3.42Å; R297-K315 PolarHBondContact O-NZ 3.49Å
298L90.6Very high92.4Very high97 Ų9776.5 Ų76.551%0.50840%0.396SS..THydrogen-bonded Turntrans-69.1-40170.3-61.9-178000111.3H295 Q296 K315H295-L298 WeakPolarHBondContact O-CB 3.32Å; H295-L298 VanDerWaalsContact O-CG 3.29Å; H295-L298 WeakPolarHBondContact O-CG 3.42Å; H295-L298 PolarHBondContact O-N 3.29Å; Q296-L298 PolarHBondContact O-N 2.89Å; Q296-L298 VanDerWaalsContact O-N 3.13Å; L298-K315 HydrophobicContact CD2-CD 3.85Å
299H92.4Very high92.3Very high83 Ų8378.4 Ų78.438%0.38440%0.404SS..THydrogen-bonded Turntrans-80.8-45.2-179-61-61000112.2D281 C282 H295 Q296 G301D281-H299 HydrophobicContact CB-CB 4.3Å; D281-H299 IonicContact OD2-CD2 3.61Å; D281-H299 IonicContact OD2-CG 3.84Å; C282-H299 PolarHBondContact SG-NE2 3.35Å; C282-H299 VanDerWaalsContact SG-NE2 3.37Å; H295-H299 AromaticContact CE1-NE2 3.87Å; H295-H299 AromaticContact NE2-NE2 3.46Å; H295-H299 PolarHBondContact NE2-NE2 3.34Å; Q296-H299 PolarHBondContact O-N 2.8Å; H299-G301 PolarHBondContact O-N 3.19Å
300T91.4Very high92.3Very high99 Ų9974.4 Ų74.461%0.60739%0.393SS*.SBendtrans-76.9-11.2-178.363.20000113.7Q296 D302Q296-T300 PolarHBondContact O-N 3.01Å; Q296-T300 PolarHBondContact O-OG1 3.43Å; T300-D302 PolarHBondContact O-N 3.45Å; T300-D302 VanDerWaalsContact O-N 3.12Å; T300-D302 VanDerWaalsContact OG1-CB 3.23Å; T300-D302 WeakPolarHBondContact OG1-CB 3.41Å; T300-D302 PolarHBondContact OG1-N 2.91Å
301G89.5Confident92.2Very high43 Ų4372.8 Ų72.844%0.44339%0.387SS..  trans67.93-171.100000114.4R297 H299 K303R297-G301 PolarHBondContact O-N 3.14Å; H299-G301 PolarHBondContact O-N 3.19Å; G301-K303 PolarHBondContact O-N 3.07Å
302D92.5Very high92.2Very high76 Ų7676.5 Ų76.541%0.40640%0.397SS..  trans-59126.4-174.9178.427.7000112R297 T300 P304R297-D302 HydrophobicContact CB-CB 4.47Å; R297-D302 HydrophobicContact CG-CB 4.29Å; R297-D302 IonicContact NE-OD2 3.07Å; T300-D302 PolarHBondContact O-N 3.45Å; T300-D302 VanDerWaalsContact O-N 3.12Å; T300-D302 VanDerWaalsContact OG1-CB 3.23Å; T300-D302 WeakPolarHBondContact OG1-CB 3.41Å; T300-D302 PolarHBondContact OG1-N 2.91Å; D302-P304 WeakPolarHBondContact OD1-CD 3.39Å; D302-P304 WeakPolarHBondContact OD1-CG 3.42Å; D302-P304 WeakPolarHBondContact OD2-CG 3.13Å
303K92.6Very high92.2Very high107 Ų10778 Ų7847%0.46541%0.409SS..  trans-129.777.1-179.3-71.4166.4175.4-179.20109.6G301 Y305 S313 F314 K315G301-K303 PolarHBondContact O-N 3.07Å; K303-Y305 PolarHBondContact O-N 3.41Å; K303-Y305 VanDerWaalsContact O-N 3.15Å; K303-S313 WeakPolarHBondContact CD-O 3.24Å; K303-S313 WeakPolarHBondContact O-CB 3.25Å; K303-F314 CarbonylContact C-O 3.5Å; K303-F314 WeakPolarHBondContact CA-O 3.25Å; K303-K315 HydrophobicContact CG-CG 3.76Å
304P91.5Very high92.2Very high63 Ų6374.1 Ų74.141%0.40939%0.392SS..  trans-66-21.1-172-22.933.8000114.6D302 K306D302-P304 WeakPolarHBondContact OD1-CD 3.39Å; D302-P304 WeakPolarHBondContact OD1-CG 3.42Å; D302-P304 WeakPolarHBondContact OD2-CG 3.13Å; P304-K306 PolarHBondContact O-N 3.13Å
305Y93.9Very high92.1Very high75 Ų7574.7 Ų74.729%0.29439%0.39SS..EExtended strand (participates in β ladder)trans-97.389.2-173.3-52.3-73.4000110K303 S313 F314 K315 L317K303-Y305 PolarHBondContact O-N 3.41Å; K303-Y305 VanDerWaalsContact O-N 3.15Å; Y305-S313 CarbonylContact O-C 3.6Å; Y305-S313 WeakPolarHBondContact O-CA 3.06Å; Y305-F314 WeakPolarHBondContact CD2-O 3.5Å; Y305-F314 PolarHBondContact N-O 3.35Å; Y305-F314 WeakPolarHBondContact O-CD2 3.46Å; Y305-F314 PolarHBondContact O-N 3.37Å; Y305-K315 WeakPolarHBondContact CE2-O 3.32Å; Y305-L317 HydrophobicContact CD1-CB 4.03Å; Y305-L317 HydrophobicContact CD1-CD1 3.7Å; Y305-L317 HydrophobicContact CD1-CG 4.42Å; Y305-L317 HydrophobicContact CD2-CB 4.39Å; Y305-L317 HydrophobicContact CE1-CB 3.74Å; Y305-L317 HydrophobicContact CE1-CD1 3.94Å; Y305-L317 HydrophobicContact CE1-CG 4.28Å; Y305-L317 HydrophobicContact CE2-CB 4.11Å; Y305-L317 VanDerWaalsContact CE2-N 3.29Å; Y305-L317 HydrophobicContact CG-CB 4.34Å; Y305-L317 HydrophobicContact CG-CD1 4.39Å
306K93.4Very high92Very high137 Ų13777.9 Ų77.960%0.59641%0.405SS*.EExtended strand (participates in β ladder)trans-86.3135.6176.9-172172.9175.2-179.40111.3P304P304-K306 PolarHBondContact O-N 3.13Å
307C93.6Very high91.9Very high11 Ų1178.6 Ų78.67%0.07441%0.411CS..  trans-81.4118168.6-178.80000109.4K309 C310 G311 K312 F314C307-K309 VanDerWaalsContact C-N 3.27Å; C307-K309 PolarHBondContact O-N 3.17Å; C307-C310 VanDerWaalsContact SG-SG 3.69Å; C307-G311 VanDerWaalsContact O-CA 3.25Å; C307-G311 WeakPolarHBondContact O-CA 3.27Å; C307-G311 PolarHBondContact O-N 2.98Å; C307-K312 WeakPolarHBondContact CB-O 3.4Å; C307-K312 PolarHBondContact N-O 3.02Å; C307-F314 HydrophobicContact CB-CE2 4.44Å
308N91.3Very high91.8Very high157 Ų15780.1 Ų80.184%0.8443%0.427SS*.THydrogen-bonded Turntrans-69.2-24-179.8-64.7-10000113.3
309K89.1Confident91.9Very high132 Ų13278 Ų7857%0.57442%0.42SS*.THydrogen-bonded Turntrans-76.8-33.5-179.8-72.6-172.4172.4-170.40114C307 H327C307-K309 VanDerWaalsContact C-N 3.27Å; C307-K309 PolarHBondContact O-N 3.17Å; K309-H327 HydrophobicContact CD-CB 3.58Å
310C93.3Very high91.9Very high53 Ų5374.8 Ų74.836%0.35841%0.408SS..THydrogen-bonded Turntrans-133.15.4-175.471.70000114.8C307 K312 H323 H327C307-C310 VanDerWaalsContact SG-SG 3.69Å; C310-K312 PolarHBondContact O-N 3.19Å; C310-H323 PolarHBondContact SG-NE2 2.86Å; C310-H327 PolarHBondContact SG-NE2 3.2Å
311G90.8Very high92Very high38 Ų3876.2 Ų76.239%0.39241%0.406SS..  trans72.6-10.817900000115.9C307 S313C307-G311 VanDerWaalsContact O-CA 3.25Å; C307-G311 WeakPolarHBondContact O-CA 3.27Å; C307-G311 PolarHBondContact O-N 2.98Å; G311-S313 PolarHBondContact O-N 3.43Å
312K93.2Very high92.1Very high128 Ų12876.6 Ų76.656%0.55740%0.397SS*.  trans-61.1130.4179.6-69.1-177.3-179.4179.90111.2C307 C310 F314C307-K312 WeakPolarHBondContact CB-O 3.4Å; C307-K312 PolarHBondContact N-O 3.02Å; C310-K312 PolarHBondContact O-N 3.19Å; K312-F314 HydrophobicContact CB-CE2 3.97Å; K312-F314 HydrophobicContact CB-CZ 4Å; K312-F314 WeakPolarHBondContact O-CE2 3.09Å
313S93.7Very high92.1Very high43 Ų4373.9 Ų73.930%0.30138%0.382SS..EExtended strand (participates in β ladder)trans-109.8143.8179.1-57.30000112.2K303 Y305 G311K303-S313 WeakPolarHBondContact CD-O 3.24Å; K303-S313 WeakPolarHBondContact O-CB 3.25Å; Y305-S313 CarbonylContact O-C 3.6Å; Y305-S313 WeakPolarHBondContact O-CA 3.06Å; G311-S313 PolarHBondContact O-N 3.43Å
314F92.5Very high92Very high41 Ų4173 Ų7318%0.1838%0.38CS..EExtended strand (participates in β ladder)trans-124.6148.4-175.4-57.1-90.9000111.4K303 Y305 C307 K312 A320 H323K303-F314 CarbonylContact C-O 3.5Å; K303-F314 WeakPolarHBondContact CA-O 3.25Å; Y305-F314 WeakPolarHBondContact CD2-O 3.5Å; Y305-F314 PolarHBondContact N-O 3.35Å; Y305-F314 WeakPolarHBondContact O-CD2 3.46Å; Y305-F314 PolarHBondContact O-N 3.37Å; C307-F314 HydrophobicContact CB-CE2 4.44Å; K312-F314 HydrophobicContact CB-CE2 3.97Å; K312-F314 HydrophobicContact CB-CZ 4Å; K312-F314 WeakPolarHBondContact O-CE2 3.09Å; F314-A320 HydrophobicContact CB-CB 4.1Å; F314-A320 HydrophobicContact CD2-CB 3.7Å; F314-A320 HydrophobicContact CG-CB 4.06Å; F314-H323 HydrophobicContact CE1-CB 3.93Å; F314-H323 HydrophobicContact CE2-CB 3.85Å; F314-H323 AromaticContact CE2-CD2 3.46Å; F314-H323 VanDerWaalsContact CE2-CD2 3.46Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.5Å; F314-H323 AromaticContact CE2-CG 3.62Å; F314-H323 HydrophobicContact CZ-CB 3.39Å; F314-H323 AromaticContact CZ-CD2 3.51Å; F314-H323 AromaticContact CZ-CG 3.19Å; F314-H323 AromaticContact CZ-ND1 3.67Å
315K90.2Very high92.1Very high60 Ų6072.6 Ų72.626%0.26137%0.37SS..SBendtrans-73.8-29.9176-60-172.9179.1-178.90112.1R297 L298 K303 Y305R297-K315 PolarHBondContact NH1-O 2.91Å; R297-K315 WeakPolarHBondContact O-CE 3.42Å; R297-K315 PolarHBondContact O-NZ 3.49Å; L298-K315 HydrophobicContact CD2-CD 3.85Å; K303-K315 HydrophobicContact CG-CG 3.76Å; Y305-K315 WeakPolarHBondContact CE2-O 3.32Å
316H90.8Very high91.8Very high87 Ų8774.5 Ų74.540%0.40339%0.385SS..SBendtrans-121.1142-176.3-64.7-172.2000111.3V294 S318 S319 A320V294-H316 WeakPolarHBondContact CG1-NE2 3.47Å; H316-S318 VanDerWaalsContact C-N 3.31Å; H316-S318 PolarHBondContact O-N 3.15Å; H316-S319 PolarHBondContact O-N 3.47Å; H316-A320 PolarHBondContact O-N 3.18Å
317L91Very high91.8Very high83 Ų8371 Ų7144%0.43537%0.37SS..Hα-helixtrans-64.3-35177.6-179.160.1000112.3Y305 A320 K321Y305-L317 HydrophobicContact CD1-CB 4.03Å; Y305-L317 HydrophobicContact CD1-CD1 3.7Å; Y305-L317 HydrophobicContact CD1-CG 4.42Å; Y305-L317 HydrophobicContact CD2-CB 4.39Å; Y305-L317 HydrophobicContact CE1-CB 3.74Å; Y305-L317 HydrophobicContact CE1-CD1 3.94Å; Y305-L317 HydrophobicContact CE1-CG 4.28Å; Y305-L317 HydrophobicContact CE2-CB 4.11Å; Y305-L317 VanDerWaalsContact CE2-N 3.29Å; Y305-L317 HydrophobicContact CG-CB 4.34Å; Y305-L317 HydrophobicContact CG-CD1 4.39Å; L317-A320 PolarHBondContact O-N 3.44Å; L317-K321 HydrophobicContact CD1-CG 4.41Å; L317-K321 HydrophobicContact CG-CD 4.42Å; L317-K321 HydrophobicContact CG-CG 4.45Å; L317-K321 WeakPolarHBondContact O-CG 3.23Å; L317-K321 PolarHBondContact O-N 3.36Å
318S91.2Very high91.6Very high69 Ų6974 Ų7448%0.48339%0.388SS..Hα-helixtrans-61.8-43.3177.349.20000111.7H316 K321 I322H316-S318 VanDerWaalsContact C-N 3.31Å; H316-S318 PolarHBondContact O-N 3.15Å; S318-K321 PolarHBondContact O-N 3.31Å; S318-I322 VanDerWaalsContact O-CG1 3.31Å; S318-I322 WeakPolarHBondContact O-CG1 3.38Å; S318-I322 PolarHBondContact O-N 3.47Å
319S92.2Very high91.5Very high52 Ų5268.8 Ų68.836%0.36437%0.372SS..Hα-helixtrans-62.3-43.1175.2-520000111.6H316 I322 H323H316-S319 PolarHBondContact O-N 3.47Å; S319-I322 PolarHBondContact O-N 3.31Å; S319-H323 VanDerWaalsContact O-CB 3.25Å; S319-H323 WeakPolarHBondContact O-CB 3.48Å; S319-H323 PolarHBondContact O-N 2.67Å
320A92.6Very high91.6Very high16 Ų1666 Ų6613%0.13236%0.363CS..Hα-helixtrans-63.3-40.5175.400000112.6F314 H316 L317 H323 H324F314-A320 HydrophobicContact CB-CB 4.1Å; F314-A320 HydrophobicContact CD2-CB 3.7Å; F314-A320 HydrophobicContact CG-CB 4.06Å; H316-A320 PolarHBondContact O-N 3.18Å; L317-A320 PolarHBondContact O-N 3.44Å; A320-H323 PolarHBondContact O-N 2.86Å; A320-H324 WeakPolarHBondContact O-CB 3.28Å; A320-H324 PolarHBondContact O-N 3.41Å
321K92.4Very high91.6Very high129 Ų12969 Ų6956%0.56137%0.37SS*.Hα-helixtrans-64.8-47.1176.3-76.3-176.9177-170.80112.4L317 S318 H323 H324 R325L317-K321 HydrophobicContact CD1-CG 4.41Å; L317-K321 HydrophobicContact CG-CD 4.42Å; L317-K321 HydrophobicContact CG-CG 4.45Å; L317-K321 WeakPolarHBondContact O-CG 3.23Å; L317-K321 PolarHBondContact O-N 3.36Å; S318-K321 PolarHBondContact O-N 3.31Å; K321-H323 VanDerWaalsContact C-N 3.27Å; K321-H323 PolarHBondContact O-N 2.97Å; K321-H324 WeakPolarHBondContact O-CB 3.37Å; K321-H324 PolarHBondContact O-N 2.93Å; K321-H324 VanDerWaalsContact O-N 3.15Å; K321-R325 PolarHBondContact O-N 2.9Å
322I91.7Very high91.6Very high51 Ų5170.3 Ų70.326%0.26237%0.372SS..Hα-helixtrans-60.5-43176.1-69.1165.2000109.9S318 S319 H324 R325 Q344S318-I322 VanDerWaalsContact O-CG1 3.31Å; S318-I322 WeakPolarHBondContact O-CG1 3.38Å; S318-I322 PolarHBondContact O-N 3.47Å; S319-I322 PolarHBondContact O-N 3.31Å; I322-H324 VanDerWaalsContact C-N 3.33Å; I322-H324 PolarHBondContact O-N 3.48Å; I322-R325 WeakPolarHBondContact O-CB 3.4Å; I322-R325 PolarHBondContact O-N 3.37Å; I322-Q344 VanDerWaalsContact CG2-CD 3.47Å; I322-Q344 HydrophobicContact CG2-CG 3.67Å
323H92.7Very high91.6Very high20 Ų2067.8 Ų67.89%0.09336%0.359CS..Hα-helixtrans-61.6-40.4174.9171.272.2000112.4C310 F314 S319 A320 K321 R325 L326 H327C310-H323 PolarHBondContact SG-NE2 2.86Å; F314-H323 HydrophobicContact CE1-CB 3.93Å; F314-H323 HydrophobicContact CE2-CB 3.85Å; F314-H323 AromaticContact CE2-CD2 3.46Å; F314-H323 VanDerWaalsContact CE2-CD2 3.46Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.5Å; F314-H323 AromaticContact CE2-CG 3.62Å; F314-H323 HydrophobicContact CZ-CB 3.39Å; F314-H323 AromaticContact CZ-CD2 3.51Å; F314-H323 AromaticContact CZ-CG 3.19Å; F314-H323 AromaticContact CZ-ND1 3.67Å; S319-H323 VanDerWaalsContact O-CB 3.25Å; S319-H323 WeakPolarHBondContact O-CB 3.48Å; S319-H323 PolarHBondContact O-N 2.67Å; A320-H323 PolarHBondContact O-N 2.86Å; K321-H323 VanDerWaalsContact C-N 3.27Å; K321-H323 PolarHBondContact O-N 2.97Å; H323-R325 PolarHBondContact O-N 3.38Å; H323-L326 VanDerWaalsContact O-CB 3.25Å; H323-L326 WeakPolarHBondContact O-CB 3.46Å; H323-L326 WeakPolarHBondContact O-CG 3Å; H323-L326 PolarHBondContact O-N 2.96Å; H323-H327 AromaticContact CD2-NE2 3.92Å; H323-H327 AromaticContact CE1-NE2 3.47Å; H323-H327 PolarHBondContact CE1-NE2 3.25Å; H323-H327 AromaticContact NE2-CD2 3.67Å; H323-H327 AromaticContact NE2-NE2 3.01Å; H323-H327 PolarHBondContact NE2-NE2 2.83Å
324H91.5Very high91.7Very high89 Ų8971.7 Ų71.741%0.41237%0.371SS..Hα-helixtrans-60.3-31.3178.4-16970.6000112.9A320 K321 I322 L326 H327 T328A320-H324 WeakPolarHBondContact O-CB 3.28Å; A320-H324 PolarHBondContact O-N 3.41Å; K321-H324 WeakPolarHBondContact O-CB 3.37Å; K321-H324 PolarHBondContact O-N 2.93Å; K321-H324 VanDerWaalsContact O-N 3.15Å; I322-H324 VanDerWaalsContact C-N 3.33Å; I322-H324 PolarHBondContact O-N 3.48Å; H324-L326 PolarHBondContact O-N 3.37Å; H324-H327 WeakPolarHBondContact O-CB 3.2Å; H324-H327 PolarHBondContact O-N 2.92Å; H324-T328 PolarHBondContact O-N 2.85Å
325R92.5Very high91.7Very high53 Ų5369.8 Ų69.820%0.236%0.362CS..Hα-helixtrans-60.5-26.5174.1-64.9-177-178.2143.93.8113.5K321 I322 H323 H327 T328 G329 D330 T343K321-R325 PolarHBondContact O-N 2.9Å; I322-R325 WeakPolarHBondContact O-CB 3.4Å; I322-R325 PolarHBondContact O-N 3.37Å; H323-R325 PolarHBondContact O-N 3.38Å; R325-H327 PolarHBondContact O-N 3.42Å; R325-T328 WeakPolarHBondContact CA-OG1 3.42Å; R325-T328 PolarHBondContact O-N 3.28Å; R325-T328 PolarHBondContact O-OG1 3.04Å; R325-G329 WeakPolarHBondContact O-CA 3.42Å; R325-G329 PolarHBondContact O-N 3.42Å; R325-D330 HydrophobicContact CB-CB 4.37Å; R325-D330 WeakPolarHBondContact CB-O 3.34Å; R325-D330 HydrophobicContact CG-CB 4.21Å; R325-D330 IonicContact NE-OD2 3.85Å; R325-D330 PolarHBondContact O-N 2.98Å; R325-T343 HydrophobicContact CB-CG2 4.46Å; R325-T343 PolarHBondContact NH1-O 2.88Å
326L89.2Confident91.8Very high115 Ų11574.5 Ų74.560%0.60239%0.39SS*.Hα-helixtrans-66.2-30.9174.4-56.5176000111.6H323 H324H323-L326 VanDerWaalsContact O-CB 3.25Å; H323-L326 WeakPolarHBondContact O-CB 3.46Å; H323-L326 WeakPolarHBondContact O-CG 3Å; H323-L326 PolarHBondContact O-N 2.96Å; H324-L326 PolarHBondContact O-N 3.37Å
327H91.5Very high91.8Very high64 Ų6476.3 Ų76.330%0.29640%0.399SS..Hα-helixtrans-85.4-22.5178.5-64.7-64000113.9K309 C310 H323 H324 R325K309-H327 HydrophobicContact CD-CB 3.58Å; C310-H327 PolarHBondContact SG-NE2 3.2Å; H323-H327 AromaticContact CD2-NE2 3.92Å; H323-H327 AromaticContact CE1-NE2 3.47Å; H323-H327 PolarHBondContact CE1-NE2 3.25Å; H323-H327 AromaticContact NE2-CD2 3.67Å; H323-H327 AromaticContact NE2-NE2 3.01Å; H323-H327 PolarHBondContact NE2-NE2 2.83Å; H324-H327 WeakPolarHBondContact O-CB 3.2Å; H324-H327 PolarHBondContact O-N 2.92Å; R325-H327 PolarHBondContact O-N 3.42Å
328T90.7Very high91.9Very high73 Ų7374.9 Ų74.945%0.44840%0.395SS..Hα-helixtrans-98.5-11.5178.8600000112.3H324 R325 D330H324-T328 PolarHBondContact O-N 2.85Å; R325-T328 WeakPolarHBondContact CA-OG1 3.42Å; R325-T328 PolarHBondContact O-N 3.28Å; R325-T328 PolarHBondContact O-OG1 3.04Å; T328-D330 PolarHBondContact O-N 3.3Å; T328-D330 WeakPolarHBondContact OG1-CB 3.19Å; T328-D330 PolarHBondContact OG1-N 2.84Å
329G88.7Confident91.9Very high48 Ų4873.1 Ų73.150%0.49539%0.389SS..THydrogen-bonded Turntrans68.57.6-170.200000113.7R325 K331R325-G329 WeakPolarHBondContact O-CA 3.42Å; R325-G329 PolarHBondContact O-N 3.42Å; G329-K331 PolarHBondContact O-N 3.42Å
330D91.9Very high91.9Very high74 Ų7476.6 Ų76.640%0.39640%0.397SS..  trans-65.2115.6-174.7176.931.6000111.3R325 T328 P332R325-D330 HydrophobicContact CB-CB 4.37Å; R325-D330 WeakPolarHBondContact CB-O 3.34Å; R325-D330 HydrophobicContact CG-CB 4.21Å; R325-D330 IonicContact NE-OD2 3.85Å; R325-D330 PolarHBondContact O-N 2.98Å; T328-D330 PolarHBondContact O-N 3.3Å; T328-D330 WeakPolarHBondContact OG1-CB 3.19Å; T328-D330 PolarHBondContact OG1-N 2.84Å; D330-P332 WeakPolarHBondContact O-CD 3.41Å
331K92.3Very high92Very high117 Ų11777.9 Ų77.951%0.50941%0.405SS..  trans-12476.2-178.2-72168173-174.80109.2G329 Y333 S341 F342 T343G329-K331 PolarHBondContact O-N 3.42Å; K331-Y333 PolarHBondContact O-N 2.99Å; K331-S341 WeakPolarHBondContact CD-O 3.45Å; K331-S341 WeakPolarHBondContact O-CB 3.26Å; K331-F342 CarbonylContact C-O 3.55Å; K331-F342 WeakPolarHBondContact CA-O 3.37Å; K331-T343 HydrophobicContact CG-CG2 3.77Å
332P91.3Very high92Very high65 Ų6573.8 Ų73.842%0.42239%0.387SS..  trans-73.9-12.6-171.427.9-34.2000113.8D330D330-P332 WeakPolarHBondContact O-CD 3.41Å
333Y93.8Very high92Very high74 Ų7472.2 Ų72.229%0.2938%0.38SS..EExtended strand (participates in β ladder)trans-101.496.5-175.5-53.4-67000110.6K331 S341 F342 T343 Q344 V345K331-Y333 PolarHBondContact O-N 2.99Å; Y333-S341 CarbonylContact O-C 3.57Å; Y333-S341 VanDerWaalsContact O-CA 3.31Å; Y333-S341 WeakPolarHBondContact O-CA 3.35Å; Y333-F342 WeakPolarHBondContact CD2-O 3.27Å; Y333-F342 PolarHBondContact N-O 3.14Å; Y333-F342 PolarHBondContact O-N 3.36Å; Y333-T343 WeakPolarHBondContact CE2-O 3.21Å; Y333-Q344 VanDerWaalsContact CD2-C 3.4Å; Y333-V345 HydrophobicContact CD1-CG2 3.49Å; Y333-V345 VanDerWaalsContact CD1-CG2 3.49Å; Y333-V345 HydrophobicContact CD2-CG2 4.13Å; Y333-V345 HydrophobicContact CE1-CG2 3.18Å; Y333-V345 HydrophobicContact CE2-CG2 3.86Å; Y333-V345 HydrophobicContact CG-CG2 3.94Å
334K94.3Very high92Very high126 Ų12673.4 Ų73.455%0.54839%0.386SS..EExtended strand (participates in β ladder)trans-91.4134.7179.9-170176.4178.1-175.60111.1
335C94.1Very high92Very high0 Ų072 Ų720%038%0.383CS..  trans-73.9126.3166174.50000109E337 C338 G339 K340 F342 L348 H351C335-E337 VanDerWaalsContact C-N 3.35Å; C335-E337 PolarHBondContact SG-N 2.72Å; C335-C338 PolarHBondContact SG-N 2.9Å; C335-G339 WeakPolarHBondContact O-CA 3.39Å; C335-G339 PolarHBondContact O-N 2.8Å; C335-K340 WeakPolarHBondContact CB-O 3.34Å; C335-K340 PolarHBondContact N-O 2.85Å; C335-F342 HydrophobicContact CB-CE2 4.49Å; C335-L348 HydrophobicContact CB-CD1 3.64Å; C335-H351 PolarHBondContact SG-NE2 2.94Å
336N92.3Very high92Very high159 Ų15972.3 Ų72.385%0.8539%0.394SS*.THydrogen-bonded Turntrans-74.9-25.7-179.8-66.9-17.6000112.7
337E89.3Confident92.2Very high125 Ų12572.8 Ų72.858%0.58439%0.388SS*.THydrogen-bonded Turntrans-80.4-40.2-177-68.2162.515600112.5C335 H355C335-E337 VanDerWaalsContact C-N 3.35Å; C335-E337 PolarHBondContact SG-N 2.72Å; E337-H355 WeakPolarHBondContact OE2-CB 3.37Å; E337-H355 IonicContact OE2-CD2 3.15Å; E337-H355 PolarHBondContact OE2-CD2 3.33Å; E337-H355 IonicContact OE2-CG 3Å; E337-H355 IonicContact OE2-NE2 3.03Å
338C93.3Very high92.3Very high53 Ų5370.7 Ų70.736%0.35838%0.379SS..THydrogen-bonded Turntrans-121.20.5-178.477.10000115.2C335 K340 H351C335-C338 PolarHBondContact SG-N 2.9Å; C338-K340 PolarHBondContact O-N 3.36Å; C338-K340 VanDerWaalsContact O-N 3.09Å; C338-K340 VanDerWaalsContact SG-CG 3.58Å; C338-H351 VanDerWaalsContact SG-CE1 3.51Å; C338-H351 PolarHBondContact SG-NE2 3.23Å
339G91.3Very high92.3Very high33 Ų3373.6 Ų73.634%0.3439%0.386SS..  trans73.7-5.5178.400000116.1C335 S341C335-G339 WeakPolarHBondContact O-CA 3.39Å; C335-G339 PolarHBondContact O-N 2.8Å; G339-S341 PolarHBondContact O-N 2.59Å
340K93.3Very high92.4Very high124 Ų12475.9 Ų75.954%0.53939%0.39SS..  trans-63.5133.9178.2-71.2178.7-176.7175.10111.2C335 C338 F342C335-K340 WeakPolarHBondContact CB-O 3.34Å; C335-K340 PolarHBondContact N-O 2.85Å; C338-K340 PolarHBondContact O-N 3.36Å; C338-K340 VanDerWaalsContact O-N 3.09Å; C338-K340 VanDerWaalsContact SG-CG 3.58Å; K340-F342 HydrophobicContact CB-CE2 3.92Å; K340-F342 HydrophobicContact CB-CZ 4.04Å; K340-F342 WeakPolarHBondContact O-CE2 3.41Å
341S94Very high92.4Very high44 Ų4473.3 Ų73.331%0.30838%0.376SS..EExtended strand (participates in β ladder)trans-108.9143.5179.9-590000112.8K331 Y333 G339K331-S341 WeakPolarHBondContact CD-O 3.45Å; K331-S341 WeakPolarHBondContact O-CB 3.26Å; Y333-S341 CarbonylContact O-C 3.57Å; Y333-S341 VanDerWaalsContact O-CA 3.31Å; Y333-S341 WeakPolarHBondContact O-CA 3.35Å; G339-S341 PolarHBondContact O-N 2.59Å
342F92.6Very high92.4Very high42 Ų4271.3 Ų71.318%0.18437%0.368CS..EExtended strand (participates in β ladder)trans-126.1151.5-175-58.7-89.6000111.4K331 Y333 C335 K340 Q344 L348 H351K331-F342 CarbonylContact C-O 3.55Å; K331-F342 WeakPolarHBondContact CA-O 3.37Å; Y333-F342 WeakPolarHBondContact CD2-O 3.27Å; Y333-F342 PolarHBondContact N-O 3.14Å; Y333-F342 PolarHBondContact O-N 3.36Å; C335-F342 HydrophobicContact CB-CE2 4.49Å; K340-F342 HydrophobicContact CB-CE2 3.92Å; K340-F342 HydrophobicContact CB-CZ 4.04Å; K340-F342 WeakPolarHBondContact O-CE2 3.41Å; F342-Q344 VanDerWaalsContact C-N 3.31Å; F342-L348 HydrophobicContact CB-CB 4.41Å; F342-L348 HydrophobicContact CD2-CB 3.92Å; F342-L348 HydrophobicContact CD2-CD1 3.83Å; F342-L348 HydrophobicContact CD2-CG 4.49Å; F342-L348 HydrophobicContact CE2-CD1 3.95Å; F342-L348 HydrophobicContact CG-CB 4.34Å; F342-H351 HydrophobicContact CE1-CB 4.05Å; F342-H351 HydrophobicContact CE2-CB 3.91Å; F342-H351 AromaticContact CE2-CD2 3.54Å; F342-H351 AromaticContact CE2-CG 3.64Å; F342-H351 HydrophobicContact CZ-CB 3.47Å; F342-H351 VanDerWaalsContact CZ-CB 3.47Å; F342-H351 AromaticContact CZ-CD2 3.65Å; F342-H351 AromaticContact CZ-CG 3.27Å; F342-H351 AromaticContact CZ-ND1 3.65Å
343T91Very high92.3Very high18 Ų1873.8 Ų73.811%0.1137%0.369CS..SBendtrans-76.7-19.5177.956.30000112.9R325 K331 Y333R325-T343 HydrophobicContact CB-CG2 4.46Å; R325-T343 PolarHBondContact NH1-O 2.88Å; K331-T343 HydrophobicContact CG-CG2 3.77Å; Y333-T343 WeakPolarHBondContact CE2-O 3.21Å
344Q92.2Very high92Very high46 Ų4675.6 Ų75.622%0.21538%0.382CS..SBendtrans-138.2145.4-177.5-60.2-172.964.800111.7I322 Y333 F342 S346 Y347 L348I322-Q344 VanDerWaalsContact CG2-CD 3.47Å; I322-Q344 HydrophobicContact CG2-CG 3.67Å; Y333-Q344 VanDerWaalsContact CD2-C 3.4Å; F342-Q344 VanDerWaalsContact C-N 3.31Å; Q344-S346 VanDerWaalsContact C-N 3.29Å; Q344-S346 PolarHBondContact O-N 3.22Å; Q344-Y347 HydrophobicContact CB-CD2 3.83Å; Q344-Y347 HydrophobicContact CB-CE2 4.19Å; Q344-Y347 HydrophobicContact CB-CG 4.35Å; Q344-Y347 HydrophobicContact CG-CD2 4.22Å; Q344-Y347 HydrophobicContact CG-CE2 4.12Å; Q344-Y347 VanDerWaalsContact NE2-CE2 3.25Å; Q344-Y347 PolarHBondContact NE2-OH 3.48Å; Q344-Y347 PolarHBondContact O-N 3.2Å; Q344-L348 PolarHBondContact O-N 2.95Å
345V92.7Very high91.7Very high59 Ų5973.1 Ų73.136%0.35837%0.372SS..Hα-helixtrans-61.9-36.6177.1177.90000111.9Y333 Y347 L348 K349Y333-V345 HydrophobicContact CD1-CG2 3.49Å; Y333-V345 VanDerWaalsContact CD1-CG2 3.49Å; Y333-V345 HydrophobicContact CD2-CG2 4.13Å; Y333-V345 HydrophobicContact CE1-CG2 3.18Å; Y333-V345 HydrophobicContact CE2-CG2 3.86Å; Y333-V345 HydrophobicContact CG-CG2 3.94Å; V345-Y347 VanDerWaalsContact C-N 3.3Å; V345-Y347 PolarHBondContact O-N 3.47Å; V345-L348 PolarHBondContact O-N 3.44Å; V345-K349 HydrophobicContact CG1-CD 4.29Å; V345-K349 HydrophobicContact CG1-CG 4.22Å; V345-K349 WeakPolarHBondContact O-CG 3.29Å; V345-K349 PolarHBondContact O-N 2.96Å
346S92.5Very high91.2Very high60 Ų6077 Ų7742%0.4240%0.396SS..Hα-helixtrans-59.5-41.9178.746.70000111.8Q344 K349 V350Q344-S346 VanDerWaalsContact C-N 3.29Å; Q344-S346 PolarHBondContact O-N 3.22Å; S346-K349 PolarHBondContact O-N 3.26Å; S346-V350 WeakPolarHBondContact O-CG2 3.22Å; S346-V350 PolarHBondContact O-N 3.25Å
347Y93.1Very high90.6Very high124 Ų12472.4 Ų72.449%0.48639%0.387SS..Hα-helixtrans-67.7-37.4176.3-59.7-33000112.4Q344 V345 H351Q344-Y347 HydrophobicContact CB-CD2 3.83Å; Q344-Y347 HydrophobicContact CB-CE2 4.19Å; Q344-Y347 HydrophobicContact CB-CG 4.35Å; Q344-Y347 HydrophobicContact CG-CD2 4.22Å; Q344-Y347 HydrophobicContact CG-CE2 4.12Å; Q344-Y347 VanDerWaalsContact NE2-CE2 3.25Å; Q344-Y347 PolarHBondContact NE2-OH 3.48Å; Q344-Y347 PolarHBondContact O-N 3.2Å; V345-Y347 VanDerWaalsContact C-N 3.3Å; V345-Y347 PolarHBondContact O-N 3.47Å; Y347-H351 WeakPolarHBondContact O-CB 3.31Å; Y347-H351 PolarHBondContact O-N 3.3Å
348L92.6Very high89.7Confident20 Ų2071.5 Ų71.511%0.10539%0.386CS..Hα-helixtrans-62-45.7171.5174.562.3000111.4C335 F342 Q344 V345 V350 H351 Q352C335-L348 HydrophobicContact CB-CD1 3.64Å; F342-L348 HydrophobicContact CB-CB 4.41Å; F342-L348 HydrophobicContact CD2-CB 3.92Å; F342-L348 HydrophobicContact CD2-CD1 3.83Å; F342-L348 HydrophobicContact CD2-CG 4.49Å; F342-L348 HydrophobicContact CE2-CD1 3.95Å; F342-L348 HydrophobicContact CG-CB 4.34Å; Q344-L348 PolarHBondContact O-N 2.95Å; V345-L348 PolarHBondContact O-N 3.44Å; L348-V350 PolarHBondContact O-N 2.79Å; L348-H351 CarbonylContact O-C 3.44Å; L348-H351 WeakPolarHBondContact O-CA 3.23Å; L348-H351 WeakPolarHBondContact O-CB 3.42Å; L348-H351 PolarHBondContact O-N 3.13Å; L348-Q352 HydrophobicContact CD1-CG 4.09Å; L348-Q352 HydrophobicContact CG-CG 4.38Å; L348-Q352 WeakPolarHBondContact O-CG 3.23Å; L348-Q352 PolarHBondContact O-N 3.41Å
349K92.2Very high88.1Confident135 Ų13578.3 Ų78.359%0.58741%0.409SS*.Hα-helixtrans-61.9-44.4179.3-74.4-175.9175.9-168.50112.7V345 S346 H351 Q352 R353V345-K349 HydrophobicContact CG1-CD 4.29Å; V345-K349 HydrophobicContact CG1-CG 4.22Å; V345-K349 WeakPolarHBondContact O-CG 3.29Å; V345-K349 PolarHBondContact O-N 2.96Å; S346-K349 PolarHBondContact O-N 3.26Å; K349-H351 VanDerWaalsContact C-N 3.28Å; K349-Q352 PolarHBondContact O-N 3.19Å; K349-R353 PolarHBondContact O-N 3.5Å
350V91.2Very high86.5Confident95 Ų9584.6 Ų84.658%0.57644%0.444SS*.Hα-helixtrans-62.7-41.5175172.90000110S346 L348 R353S346-V350 WeakPolarHBondContact O-CG2 3.22Å; S346-V350 PolarHBondContact O-N 3.25Å; L348-V350 PolarHBondContact O-N 2.79Å; V350-R353 WeakPolarHBondContact O-CB 3.39Å; V350-R353 PolarHBondContact O-N 2.93Å
351H91.6Very high86.2Confident21 Ų2182.6 Ų82.610%0.09744%0.439CS..Hα-helixtrans-62.2-41.8175.5168.774.4000112.6C335 C338 F342 Y347 L348 K349 R353 I354 H355C335-H351 PolarHBondContact SG-NE2 2.94Å; C338-H351 VanDerWaalsContact SG-CE1 3.51Å; C338-H351 PolarHBondContact SG-NE2 3.23Å; F342-H351 HydrophobicContact CE1-CB 4.05Å; F342-H351 HydrophobicContact CE2-CB 3.91Å; F342-H351 AromaticContact CE2-CD2 3.54Å; F342-H351 AromaticContact CE2-CG 3.64Å; F342-H351 HydrophobicContact CZ-CB 3.47Å; F342-H351 VanDerWaalsContact CZ-CB 3.47Å; F342-H351 AromaticContact CZ-CD2 3.65Å; F342-H351 AromaticContact CZ-CG 3.27Å; F342-H351 AromaticContact CZ-ND1 3.65Å; Y347-H351 WeakPolarHBondContact O-CB 3.31Å; Y347-H351 PolarHBondContact O-N 3.3Å; L348-H351 CarbonylContact O-C 3.44Å; L348-H351 WeakPolarHBondContact O-CA 3.23Å; L348-H351 WeakPolarHBondContact O-CB 3.42Å; L348-H351 PolarHBondContact O-N 3.13Å; K349-H351 VanDerWaalsContact C-N 3.28Å; H351-R353 PolarHBondContact O-N 3.42Å; H351-R353 VanDerWaalsContact O-N 3.16Å; H351-I354 WeakPolarHBondContact CE1-CD1 3.38Å; H351-I354 WeakPolarHBondContact ND1-CD1 3.39Å; H351-I354 WeakPolarHBondContact O-CG1 3.48Å; H351-I354 WeakPolarHBondContact O-CG2 3.37Å; H351-I354 PolarHBondContact O-N 2.84Å; H351-H355 AromaticContact CE1-NE2 3.76Å; H351-H355 AromaticContact NE2-NE2 3.29Å; H351-H355 PolarHBondContact NE2-NE2 2.95Å
352Q90.7Very high85.8Confident74 Ų7484.6 Ų84.635%0.34645%0.446SS..Hα-helixtrans-61.2-24.5-179.5-76174.6-53.800113.6L348 K349 I354 H355 T356L348-Q352 HydrophobicContact CD1-CG 4.09Å; L348-Q352 HydrophobicContact CG-CG 4.38Å; L348-Q352 WeakPolarHBondContact O-CG 3.23Å; L348-Q352 PolarHBondContact O-N 3.41Å; K349-Q352 PolarHBondContact O-N 3.19Å; Q352-I354 PolarHBondContact O-N 2.98Å; Q352-H355 PolarHBondContact O-N 3.12Å; Q352-T356 PolarHBondContact O-N 2.84Å
353R89.2Confident85.4Confident118 Ų11887 Ų8745%0.44546%0.461SS..Hα-helixtrans-60-25.6174.5-63.3-176.5179.6-162.4-6.8113.2K349 V350 H351 H355 G357 P360K349-R353 PolarHBondContact O-N 3.5Å; V350-R353 WeakPolarHBondContact O-CB 3.39Å; V350-R353 PolarHBondContact O-N 2.93Å; H351-R353 PolarHBondContact O-N 3.42Å; H351-R353 VanDerWaalsContact O-N 3.16Å; R353-H355 PolarHBondContact O-N 3.01Å; R353-G357 PolarHBondContact O-N 2.94Å; R353-G357 VanDerWaalsContact O-N 3.11Å; R353-P360 PolarHBondContact NH1-OXT 3.02Å; R353-P360 VanDerWaalsContact NH1-OXT 3.08Å
354I88.5Confident85.1Confident112 Ų11291.1 Ų91.157%0.57448%0.481SS*.Hα-helixtrans-68.9-25.3176.682.2-171.3000112.2H351 Q352H351-I354 WeakPolarHBondContact CE1-CD1 3.38Å; H351-I354 WeakPolarHBondContact ND1-CD1 3.39Å; H351-I354 WeakPolarHBondContact O-CG1 3.48Å; H351-I354 WeakPolarHBondContact O-CG2 3.37Å; H351-I354 PolarHBondContact O-N 2.84Å; Q352-I354 PolarHBondContact O-N 2.98Å
355H88.5Confident84.6Confident73 Ų7393.9 Ų93.934%0.33850%0.498SS..Hα-helixtrans-89-34179.2-58.9-58.6000111.4E337 H351 Q352 R353 G357E337-H355 WeakPolarHBondContact OE2-CB 3.37Å; E337-H355 IonicContact OE2-CD2 3.15Å; E337-H355 PolarHBondContact OE2-CD2 3.33Å; E337-H355 IonicContact OE2-CG 3Å; E337-H355 IonicContact OE2-NE2 3.03Å; H351-H355 AromaticContact CE1-NE2 3.76Å; H351-H355 AromaticContact NE2-NE2 3.29Å; H351-H355 PolarHBondContact NE2-NE2 2.95Å; Q352-H355 PolarHBondContact O-N 3.12Å; R353-H355 PolarHBondContact O-N 3.01Å; H355-G357 VanDerWaalsContact C-N 3.32Å
356T84.1Confident84.1Confident81 Ų8196.2 Ų96.250%0.49751%0.507SS..Hα-helixtrans-79.7-14.4177.565.10000113.5Q352 D358Q352-T356 PolarHBondContact O-N 2.84Å; T356-D358 WeakPolarHBondContact CB-OD2 3.43Å; T356-D358 PolarHBondContact O-N 2.97Å; T356-D358 WeakPolarHBondContact OG1-CB 3.4Å; T356-D358 PolarHBondContact OG1-N 3.47Å; T356-D358 PolarHBondContact OG1-OD2 2.82Å
357G77.9Confident83.5Confident63 Ų6398.8 Ų98.865%0.64951%0.514SS*.  trans71.26.5-174.400000113.6R353 H355 K359R353-G357 PolarHBondContact O-N 2.94Å; R353-G357 VanDerWaalsContact O-N 3.11Å; H355-G357 VanDerWaalsContact C-N 3.32Å; G357-K359 PolarHBondContact O-N 2.76Å
358D70.5Confident82.7Confident106 Ų10696.8 Ų96.857%0.56752%0.516SS*.  trans-70.1100.7177.5-69.3-46.4000109.9T356T356-D358 WeakPolarHBondContact CB-OD2 3.43Å; T356-D358 PolarHBondContact O-N 2.97Å; T356-D358 WeakPolarHBondContact OG1-CB 3.4Å; T356-D358 PolarHBondContact OG1-N 3.47Å; T356-D358 PolarHBondContact OG1-OD2 2.82Å
359K59.9Low81.9Confident197 Ų197103.3 Ų103.386%0.85755%0.55SS*.  trans-63.9143.1173.5-151.4170.1-176.7-1780109.6G357G357-K359 PolarHBondContact O-N 2.76Å
360P58.9Low81Confident164 Ų164100.4 Ų100.4100%1.06555%0.546SS*.  trans-36.50-165.6-19.61.1000120.1R353R353-P360 PolarHBondContact NH1-OXT 3.02Å; R353-P360 VanDerWaalsContact NH1-OXT 3.08Å

Retrieved 360 of 360 residues in 143 ms (Link to these results)

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