A0A096NX35_PAPAN Loading...

Troponin C, skeletal muscle

Troponin is the central regulatory protein of striated muscle contraction. Tn consists of three components: Tn-I which is the inhibitor of actomyosin ATPase, Tn-T which contains the binding site for tropomyosin and Tn-C. The binding of calcium to Tn-C abolishes the inhibitory action of Tn on actin filaments.

AlphaFold DB (P02585), UniProt , Accession A0A096NX35, Species PAPAN (Papio anubis, Olive baboon), Gene TNNC2, Length 160 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
1M67.7Low83Confident146 Ų14683 Ų8372%0.71943%0.428SS*.  0106.50-151.9177.9-166.700109Q5 A6 R9M1-Q5 HydrophobicContact CE-CB 4.16Å; M1-Q5 WeakPolarHBondContact CE-O 3.49Å; M1-Q5 HydrophobicContact CG-CB 3.82Å; M1-A6 HydrophobicContact CE-CB 4.31Å; M1-A6 HydrophobicContact SD-CB 4.44Å; M1-R9 HydrophobicContact CE-CB 4.18Å; M1-R9 HydrophobicContact CE-CG 3.84Å
2T79.8Confident83.1Confident53 Ų5377.4 Ų77.433%0.32540%0.399SS..  trans-80.6169.1176.262.50000110.8Q4 Q5 A6 E65T2-Q4 PolarHBondContact O-N 2.85Å; T2-Q5 PolarHBondContact O-N 3.5Å; T2-Q5 VanDerWaalsContact OG1-CG 3.28Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.28Å; T2-Q5 PolarHBondContact OG1-N 3.29Å; T2-A6 PolarHBondContact O-N 3.19Å; T2-E65 VanDerWaalsContact CB-OE2 3.24Å; T2-E65 WeakPolarHBondContact CB-OE2 3.37Å; T2-E65 WeakPolarHBondContact CG2-OE2 3.49Å; T2-E65 PolarHBondContact OG1-OE2 3.44Å
3D83.8Confident83.2Confident151 Ų15176.4 Ų76.481%0.80740%0.403SS*.Hα-helixtrans-60.4-36176.5-71.6-21.2000111.4A6 E7D3-A6 PolarHBondContact O-N 2.84Å; D3-E7 WeakPolarHBondContact O-CB 3.03Å; D3-E7 PolarHBondContact O-N 2.77Å
4Q80.6Confident83.6Confident78 Ų7883.6 Ų83.636%0.36443%0.433SS..Hα-helixtrans-66.4-44.5177.6-63.8-166.175.400111.9T2 A6 E7 A8 E65 V78T2-Q4 PolarHBondContact O-N 2.85Å; Q4-A6 VanDerWaalsContact C-N 3.32Å; Q4-A6 PolarHBondContact O-N 3.23Å; Q4-E7 PolarHBondContact O-N 2.91Å; Q4-A8 WeakPolarHBondContact O-CB 3.42Å; Q4-A8 PolarHBondContact O-N 2.71Å; Q4-E65 VanDerWaalsContact CD-OE1 3.32Å; Q4-E65 PolarHBondContact NE2-OE1 2.91Å; Q4-V78 HydrophobicContact CB-CG1 4.39Å; Q4-V78 HydrophobicContact CB-CG2 4.26Å
5Q85.6Confident83.7Confident13 Ų1387.8 Ų87.86%0.06145%0.45CS..Hα-helixtrans-62.2-41.2176.2-68.3172.2-14.300111.3M1 T2 A8 R9 E74 V78M1-Q5 HydrophobicContact CE-CB 4.16Å; M1-Q5 WeakPolarHBondContact CE-O 3.49Å; M1-Q5 HydrophobicContact CG-CB 3.82Å; T2-Q5 PolarHBondContact O-N 3.5Å; T2-Q5 VanDerWaalsContact OG1-CG 3.28Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.28Å; T2-Q5 PolarHBondContact OG1-N 3.29Å; Q5-A8 PolarHBondContact O-N 3.45Å; Q5-R9 PolarHBondContact O-N 3.46Å; Q5-E74 HydrophobicContact CB-CB 4.22Å; Q5-E74 HydrophobicContact CG-CB 3.77Å; Q5-V78 HydrophobicContact CB-CG2 4.35Å; Q5-V78 HydrophobicContact CG-CG2 3.85Å
6A87.1Confident83.3Confident47 Ų4785.8 Ų85.839%0.38844%0.439SS..Hα-helixtrans-65.6-41.8177.300000112.1M1 T2 D3 Q4 S10M1-A6 HydrophobicContact CE-CB 4.31Å; M1-A6 HydrophobicContact SD-CB 4.44Å; T2-A6 PolarHBondContact O-N 3.19Å; D3-A6 PolarHBondContact O-N 2.84Å; Q4-A6 VanDerWaalsContact C-N 3.32Å; Q4-A6 PolarHBondContact O-N 3.23Å; A6-S10 WeakPolarHBondContact O-CB 3.29Å; A6-S10 PolarHBondContact O-N 2.76Å
7E85.9Confident83.6Confident103 Ų10382.4 Ų82.448%0.48142%0.422SS..Hα-helixtrans-62.8-47.4175-169.9-172.5150.200111.3D3 Q4 R9 S10 Y11 K85D3-E7 WeakPolarHBondContact O-CB 3.03Å; D3-E7 PolarHBondContact O-N 2.77Å; Q4-E7 PolarHBondContact O-N 2.91Å; E7-R9 PolarHBondContact O-N 2.98Å; E7-S10 PolarHBondContact O-N 2.82Å; E7-S10 PolarHBondContact O-OG 3.04Å; E7-Y11 PolarHBondContact O-N 3.2Å; E7-K85 IonicContact OE1-NZ 2.78Å; E7-K85 PolarHBondContact OE1-NZ 3.17Å
8A84.7Confident83.8Confident3 Ų381.1 Ų81.13%0.02543%0.425CS..Hα-helixtrans-58.1-48.8179.600000111.3Q4 Q5 S10 Y11 L12 L77 V78 V81Q4-A8 WeakPolarHBondContact O-CB 3.42Å; Q4-A8 PolarHBondContact O-N 2.71Å; Q5-A8 PolarHBondContact O-N 3.45Å; A8-S10 VanDerWaalsContact C-N 3.29Å; A8-S10 PolarHBondContact O-N 3.39Å; A8-Y11 WeakPolarHBondContact O-CB 3.24Å; A8-Y11 PolarHBondContact O-N 3.04Å; A8-L12 WeakPolarHBondContact O-CG 3.48Å; A8-L12 PolarHBondContact O-N 2.99Å; A8-L77 HydrophobicContact CB-CB 4.5Å; A8-V78 HydrophobicContact CB-CB 4.48Å; A8-V78 HydrophobicContact CB-CG2 3.9Å; A8-V81 HydrophobicContact CB-CB 4.15Å; A8-V81 HydrophobicContact CB-CG2 3.89Å
9R86.8Confident83.8Confident101 Ų10183.2 Ų83.238%0.38143%0.432SS..Hα-helixtrans-60.1-36.6174.4-81.7-155.8176.6-133.9-2113.4M1 Q5 E7 Y11 L12 E74 L77M1-R9 HydrophobicContact CE-CB 4.18Å; M1-R9 HydrophobicContact CE-CG 3.84Å; Q5-R9 PolarHBondContact O-N 3.46Å; E7-R9 PolarHBondContact O-N 2.98Å; R9-Y11 VanDerWaalsContact C-N 3.29Å; R9-Y11 PolarHBondContact O-N 2.95Å; R9-L12 PolarHBondContact O-N 3.04Å; R9-E74 IonicContact CZ-OE1 2.79Å; R9-E74 IonicContact CZ-OE2 3.08Å; R9-E74 IonicContact NE-OE1 3.77Å; R9-E74 PolarHBondContact NE-OE1 3.37Å; R9-E74 VanDerWaalsContact NE-OE1 3.08Å; R9-E74 IonicContact NE-OE2 2.73Å; R9-E74 PolarHBondContact NE-OE2 2.94Å; R9-E74 IonicContact NH2-OE1 3.91Å; R9-E74 PolarHBondContact NH2-OE1 2.84Å; R9-E74 IonicContact NH2-OE2 3.89Å; R9-L77 HydrophobicContact CG-CD1 3.87Å
10S87.5Confident83.9Confident96 Ų9680.7 Ų80.767%0.67142%0.418SS*.Hα-helixtrans-71.9-24.4179.4770000113.6A6 E7 A8A6-S10 WeakPolarHBondContact O-CB 3.29Å; A6-S10 PolarHBondContact O-N 2.76Å; E7-S10 PolarHBondContact O-N 2.82Å; E7-S10 PolarHBondContact O-OG 3.04Å; A8-S10 VanDerWaalsContact C-N 3.29Å; A8-S10 PolarHBondContact O-N 3.39Å
11Y83.8Confident84.2Confident122 Ų12280.5 Ų80.548%0.47841%0.414SS..Hα-helixtrans-77.5-25.4178.1-170.6-99.2000112.4E7 A8 R9 V81E7-Y11 PolarHBondContact O-N 3.2Å; A8-Y11 WeakPolarHBondContact O-CB 3.24Å; A8-Y11 PolarHBondContact O-N 3.04Å; R9-Y11 VanDerWaalsContact C-N 3.29Å; R9-Y11 PolarHBondContact O-N 2.95Å; Y11-V81 HydrophobicContact CD1-CG1 3.82Å; Y11-V81 HydrophobicContact CD1-CG2 4.1Å; Y11-V81 HydrophobicContact CE1-CG1 4.43Å; Y11-V81 HydrophobicContact CG-CG1 4.08Å
12L84.2Confident85.1Confident16 Ų1676.5 Ų76.58%0.08440%0.404CS..SBendtrans-100.2145.5-172.9-59.7173.8000112.3A8 R9 M16 I17 F20 L77 V81 M84A8-L12 WeakPolarHBondContact O-CG 3.48Å; A8-L12 PolarHBondContact O-N 2.99Å; R9-L12 PolarHBondContact O-N 3.04Å; L12-M16 HydrophobicContact CD2-CG 4.05Å; L12-M16 HydrophobicContact CD2-SD 3.39Å; L12-M16 WeakPolarHBondContact CD2-SD 3.4Å; L12-I17 HydrophobicContact CB-CD1 4.12Å; L12-I17 HydrophobicContact CB-CG1 3.68Å; L12-I17 HydrophobicContact CD1-CG1 4.15Å; L12-F20 HydrophobicContact CD1-CD2 3.93Å; L12-F20 HydrophobicContact CD1-CE2 3.95Å; L12-F20 HydrophobicContact CD2-CE2 3.8Å; L12-L77 HydrophobicContact CD1-CB 4.4Å; L12-L77 HydrophobicContact CD1-CD2 3.78Å; L12-L77 HydrophobicContact CD1-CG 4.49Å; L12-V81 HydrophobicContact CD1-CG2 3.67Å; L12-V81 HydrophobicContact CD2-CG2 3.77Å; L12-V81 HydrophobicContact CG-CG2 3.63Å; L12-M84 HydrophobicContact CD2-SD 4.09Å
13S84.8Confident85.3Confident64 Ų6475.6 Ų75.645%0.44840%0.402SS..  trans-75.3156.2169.471.10000110.9E15 M16 I17S13-E15 PolarHBondContact O-N 2.94Å; S13-M16 PolarHBondContact O-N 3.29Å; S13-M16 VanDerWaalsContact O-N 3.13Å; S13-M16 WeakPolarHBondContact OG-CB 3.42Å; S13-M16 PolarHBondContact OG-N 3.3Å; S13-I17 WeakPolarHBondContact O-CG1 3.5Å; S13-I17 PolarHBondContact O-N 2.97Å
14E88.5Confident85.6Confident177 Ų17768.5 Ų68.583%0.82736%0.364SS*.Hα-helixtrans-58-33.3176-68.2-173.2158.100112.6A18E14-A18 WeakPolarHBondContact O-CB 3.3Å; E14-A18 PolarHBondContact O-N 3.36Å
15E84.6Confident85.9Confident147 Ų14768.5 Ų68.569%0.68737%0.366SS*.Hα-helixtrans-66-46.6175.7-175172.8-160.200111.3S13 I17 A18 E19S13-E15 PolarHBondContact O-N 2.94Å; E15-I17 PolarHBondContact O-N 2.95Å; E15-A18 WeakPolarHBondContact O-CB 3.47Å; E15-A18 PolarHBondContact O-N 2.67Å; E15-A18 VanDerWaalsContact O-N 3.1Å; E15-E19 PolarHBondContact O-N 3.36Å
16M77.7Confident85.9Confident56 Ų5674.7 Ų74.728%0.27640%0.397SS..Hα-helixtrans-66.4-38.3177.8-173171-76.800111.9L12 S13 A18 E19 F20 M84L12-M16 HydrophobicContact CD2-CG 4.05Å; L12-M16 HydrophobicContact CD2-SD 3.39Å; L12-M16 WeakPolarHBondContact CD2-SD 3.4Å; S13-M16 PolarHBondContact O-N 3.29Å; S13-M16 VanDerWaalsContact O-N 3.13Å; S13-M16 WeakPolarHBondContact OG-CB 3.42Å; S13-M16 PolarHBondContact OG-N 3.3Å; M16-A18 VanDerWaalsContact C-N 3.27Å; M16-A18 PolarHBondContact O-N 3.34Å; M16-E19 PolarHBondContact O-N 2.73Å; M16-F20 HydrophobicContact CG-CD2 3.95Å; M16-F20 HydrophobicContact CG-CE2 3.54Å; M16-F20 HydrophobicContact CG-CZ 3.97Å; M16-F20 WeakPolarHBondContact O-CD2 3.47Å; M16-F20 WeakPolarHBondContact O-CG 3.22Å; M16-F20 PolarHBondContact O-N 3.48Å; M16-F20 HydrophobicContact SD-CE2 3.98Å; M16-F20 HydrophobicContact SD-CZ 4.26Å; M16-M84 HydrophobicContact CE-CE 3.91Å; M16-M84 HydrophobicContact SD-CE 3.69Å; M16-M84 HydrophobicContact SD-SD 3.98Å
17I87.6Confident85.8Confident28 Ų2874.1 Ų74.114%0.14439%0.386CS..Hα-helixtrans-60.4-40.5172-66.2169.9000110.2L12 S13 E15 F20 K21 F73 L77L12-I17 HydrophobicContact CB-CD1 4.12Å; L12-I17 HydrophobicContact CB-CG1 3.68Å; L12-I17 HydrophobicContact CD1-CG1 4.15Å; S13-I17 WeakPolarHBondContact O-CG1 3.5Å; S13-I17 PolarHBondContact O-N 2.97Å; E15-I17 PolarHBondContact O-N 2.95Å; I17-F20 PolarHBondContact O-N 2.78Å; I17-K21 VanDerWaalsContact O-CB 3.31Å; I17-K21 WeakPolarHBondContact O-CB 3.36Å; I17-K21 PolarHBondContact O-N 2.86Å; I17-F73 HydrophobicContact CG2-CE1 4.04Å; I17-F73 HydrophobicContact CG2-CZ 3.96Å; I17-L77 HydrophobicContact CG2-CD1 4.37Å
18A88.3Confident86Confident59 Ų5969.8 Ų69.849%0.48837%0.366SS..Hα-helixtrans-67-37.917700000112.5E14 E15 M16 K21 A22E14-A18 WeakPolarHBondContact O-CB 3.3Å; E14-A18 PolarHBondContact O-N 3.36Å; E15-A18 WeakPolarHBondContact O-CB 3.47Å; E15-A18 PolarHBondContact O-N 2.67Å; E15-A18 VanDerWaalsContact O-N 3.1Å; M16-A18 VanDerWaalsContact C-N 3.27Å; M16-A18 PolarHBondContact O-N 3.34Å; A18-K21 PolarHBondContact O-N 2.95Å; A18-A22 PolarHBondContact O-N 3.26Å
19E83.2Confident85.9Confident120 Ų12073.8 Ų73.856%0.56140%0.399SS*.Hα-helixtrans-64.6-47.2173.2-71.2-175.6173.300111.8E15 M16 K21 A22 A23E15-E19 PolarHBondContact O-N 3.36Å; M16-E19 PolarHBondContact O-N 2.73Å; E19-K21 VanDerWaalsContact C-N 3.25Å; E19-K21 PolarHBondContact O-N 2.86Å; E19-A22 WeakPolarHBondContact O-CB 3.3Å; E19-A22 PolarHBondContact O-N 2.8Å; E19-A22 VanDerWaalsContact O-N 3.13Å; E19-A23 PolarHBondContact O-N 2.99Å
20F86.5Confident85.8Confident33 Ų3375 Ų7515%0.14541%0.413CS..Hα-helixtrans-63.1-32.8174.6-71.7-32.8000112.4L12 M16 I17 A23 F24 F76 L77 M80 M84L12-F20 HydrophobicContact CD1-CD2 3.93Å; L12-F20 HydrophobicContact CD1-CE2 3.95Å; L12-F20 HydrophobicContact CD2-CE2 3.8Å; M16-F20 HydrophobicContact CG-CD2 3.95Å; M16-F20 HydrophobicContact CG-CE2 3.54Å; M16-F20 HydrophobicContact CG-CZ 3.97Å; M16-F20 WeakPolarHBondContact O-CD2 3.47Å; M16-F20 WeakPolarHBondContact O-CG 3.22Å; M16-F20 PolarHBondContact O-N 3.48Å; M16-F20 HydrophobicContact SD-CE2 3.98Å; M16-F20 HydrophobicContact SD-CZ 4.26Å; I17-F20 PolarHBondContact O-N 2.78Å; F20-A23 PolarHBondContact O-N 3.31Å; F20-F24 VanDerWaalsContact O-CB 3.26Å; F20-F24 WeakPolarHBondContact O-CB 3.42Å; F20-F24 PolarHBondContact O-N 2.95Å; F20-F76 HydrophobicContact CB-CE1 4.05Å; F20-F76 WeakPolarHBondContact O-CE1 3.23Å; F20-L77 HydrophobicContact CB-CD2 3.84Å; F20-L77 HydrophobicContact CD2-CD2 3.8Å; F20-L77 HydrophobicContact CG-CD2 4.26Å; F20-M80 HydrophobicContact CD1-CG 4.13Å; F20-M80 HydrophobicContact CD2-CB 4.29Å; F20-M80 HydrophobicContact CE1-CB 4.24Å; F20-M80 HydrophobicContact CE1-CG 4.06Å; F20-M80 HydrophobicContact CE1-SD 4.13Å; F20-M80 HydrophobicContact CE2-CB 3.89Å; F20-M80 HydrophobicContact CE2-CG 4.44Å; F20-M80 HydrophobicContact CG-CG 4.4Å; F20-M80 HydrophobicContact CZ-CB 3.88Å; F20-M80 HydrophobicContact CZ-CG 4.22Å; F20-M84 HydrophobicContact CE2-SD 4.14Å; F20-M84 HydrophobicContact CZ-SD 3.82Å
21K89.1Confident85.8Confident78 Ų7873.2 Ų73.234%0.33941%0.41SS..Hα-helixtrans-66.1-41.6172.5-174.159.9172.268.20111.9I17 A18 E19 A23 F24 D25 F73I17-K21 VanDerWaalsContact O-CB 3.31Å; I17-K21 WeakPolarHBondContact O-CB 3.36Å; I17-K21 PolarHBondContact O-N 2.86Å; A18-K21 PolarHBondContact O-N 2.95Å; E19-K21 VanDerWaalsContact C-N 3.25Å; E19-K21 PolarHBondContact O-N 2.86Å; K21-A23 VanDerWaalsContact C-N 3.32Å; K21-F24 PolarHBondContact O-N 2.81Å; K21-D25 IonicContact NZ-OD1 2.84Å; K21-D25 PolarHBondContact NZ-OD1 3.41Å; K21-D25 IonicContact NZ-OD2 3.22Å; K21-D25 PolarHBondContact NZ-OD2 3.39Å; K21-D25 WeakPolarHBondContact O-CB 3.4Å; K21-D25 PolarHBondContact O-N 3.45Å; K21-F73 VanDerWaalsContact CA-CE2 3.42Å; K21-F73 HydrophobicContact CB-CE1 4.5Å; K21-F73 HydrophobicContact CB-CE2 3.77Å; K21-F73 HydrophobicContact CB-CZ 3.65Å; K21-F73 HydrophobicContact CD-CD1 4.21Å; K21-F73 HydrophobicContact CD-CD2 3.7Å; K21-F73 HydrophobicContact CD-CE1 4.12Å; K21-F73 HydrophobicContact CD-CE2 3.63Å; K21-F73 HydrophobicContact CD-CG 4.01Å; K21-F73 HydrophobicContact CD-CZ 3.83Å; K21-F73 HydrophobicContact CG-CE2 4.31Å; K21-F73 HydrophobicContact CG-CZ 4.27Å
22A86.5Confident85.9Confident62 Ų6269.8 Ų69.851%0.51241%0.412SS..Hα-helixtrans-65.8-37.5175.800000111.8A18 E19 M26A18-A22 PolarHBondContact O-N 3.26Å; E19-A22 WeakPolarHBondContact O-CB 3.3Å; E19-A22 PolarHBondContact O-N 2.8Å; E19-A22 VanDerWaalsContact O-N 3.13Å; A22-M26 PolarHBondContact O-N 3.18Å
23A85.6Confident86.2Confident33 Ų3370.9 Ų70.927%0.27343%0.427SS..Hα-helixtrans-62.7-53.3170.600000110.1E19 F20 K21 D25 M26 F27E19-A23 PolarHBondContact O-N 2.99Å; F20-A23 PolarHBondContact O-N 3.31Å; K21-A23 VanDerWaalsContact C-N 3.32Å; A23-D25 VanDerWaalsContact C-N 3.29Å; A23-D25 PolarHBondContact O-N 2.99Å; A23-M26 WeakPolarHBondContact O-CA 3.36Å; A23-M26 WeakPolarHBondContact O-CB 3.4Å; A23-M26 PolarHBondContact O-N 2.98Å; A23-F27 WeakPolarHBondContact O-CD2 3.43Å; A23-F27 PolarHBondContact O-N 3.38Å
24F88.6Confident86.5Confident2 Ų270.3 Ų70.31%0.00942%0.419CS..Hα-helixtrans-51.8-46178-176.9-86.3000112.5F20 K21 M26 F27 D28 G33 I35 F73 F76F20-F24 VanDerWaalsContact O-CB 3.26Å; F20-F24 WeakPolarHBondContact O-CB 3.42Å; F20-F24 PolarHBondContact O-N 2.95Å; K21-F24 PolarHBondContact O-N 2.81Å; F24-M26 PolarHBondContact O-N 3.45Å; F24-F27 WeakPolarHBondContact O-CA 3.48Å; F24-F27 WeakPolarHBondContact O-CB 3.28Å; F24-F27 PolarHBondContact O-N 3.05Å; F24-D28 HydrophobicContact CD1-CB 4.39Å; F24-D28 HydrophobicContact CE1-CB 4.15Å; F24-D28 PolarHBondContact O-N 3.35Å; F24-G33 WeakPolarHBondContact CZ-O 3.3Å; F24-I35 HydrophobicContact CD2-CD1 3.41Å; F24-I35 VanDerWaalsContact CD2-CD1 3.41Å; F24-I35 HydrophobicContact CD2-CG1 3.94Å; F24-I35 HydrophobicContact CE2-CD1 3.5Å; F24-I35 HydrophobicContact CE2-CG1 3.59Å; F24-I35 HydrophobicContact CG-CD1 4.22Å; F24-I35 HydrophobicContact CZ-CD1 4.36Å; F24-I35 HydrophobicContact CZ-CG1 3.98Å; F24-F73 HydrophobicContact CB-CD2 3.85Å; F24-F73 HydrophobicContact CB-CE2 4.13Å; F24-F73 HydrophobicContact CD1-CD2 4.18Å; F24-F73 HydrophobicContact CD2-CB 4.44Å; F24-F73 AromaticContact CD2-CD2 3.9Å; F24-F73 HydrophobicContact CD2-CD2 3.9Å; F24-F73 HydrophobicContact CE1-CB 4.34Å; F24-F73 HydrophobicContact CE2-CB 4.22Å; F24-F73 HydrophobicContact CE2-CD2 4.49Å; F24-F73 AromaticContact CG-CD2 3.71Å; F24-F73 HydrophobicContact CG-CD2 3.71Å; F24-F73 HydrophobicContact CG-CE2 4.48Å; F24-F73 HydrophobicContact CZ-CB 4.15Å; F24-F76 HydrophobicContact CB-CD1 4.26Å; F24-F76 HydrophobicContact CB-CE1 4.2Å; F24-F76 HydrophobicContact CD2-CB 3.73Å; F24-F76 AromaticContact CD2-CD1 4Å; F24-F76 HydrophobicContact CD2-CD1 4Å; F24-F76 HydrophobicContact CD2-CD2 4.08Å; F24-F76 AromaticContact CD2-CG 3.69Å; F24-F76 HydrophobicContact CD2-CG 3.69Å; F24-F76 HydrophobicContact CE2-CB 3.99Å; F24-F76 HydrophobicContact CE2-CG 4.39Å
25D88.3Confident86.6Confident78 Ų7862 Ų6242%0.41738%0.38SS..Hα-helixtrans-64.9-19.2177.1-69.8-19.2000113.6K21 A23K21-D25 IonicContact NZ-OD1 2.84Å; K21-D25 PolarHBondContact NZ-OD1 3.41Å; K21-D25 IonicContact NZ-OD2 3.22Å; K21-D25 PolarHBondContact NZ-OD2 3.39Å; K21-D25 WeakPolarHBondContact O-CB 3.4Å; K21-D25 PolarHBondContact O-N 3.45Å; A23-D25 VanDerWaalsContact C-N 3.29Å; A23-D25 PolarHBondContact O-N 2.99Å
26M84.7Confident86.9Confident144 Ų14456.4 Ų56.471%0.70936%0.357SS*.Hα-helixtrans-81.3-27.3171.5-169178.4173.200112.1A22 A23 F24A22-M26 PolarHBondContact O-N 3.18Å; A23-M26 WeakPolarHBondContact O-CA 3.36Å; A23-M26 WeakPolarHBondContact O-CB 3.4Å; A23-M26 PolarHBondContact O-N 2.98Å; F24-M26 PolarHBondContact O-N 3.45Å
27F85.9Confident87.5Confident34 Ų3455.4 Ų55.415%0.14935%0.354CS..Hα-helixtrans-80.8-43.8175.1-73.7-119.1000110.7A23 F24 A29 I35 E39 L40 V43A23-F27 WeakPolarHBondContact O-CD2 3.43Å; A23-F27 PolarHBondContact O-N 3.38Å; F24-F27 WeakPolarHBondContact O-CA 3.48Å; F24-F27 WeakPolarHBondContact O-CB 3.28Å; F24-F27 PolarHBondContact O-N 3.05Å; F27-A29 VanDerWaalsContact C-N 3.32Å; F27-A29 PolarHBondContact O-N 3.4Å; F27-I35 HydrophobicContact CB-CD1 3.52Å; F27-I35 HydrophobicContact CB-CG1 3.78Å; F27-I35 HydrophobicContact CB-CG2 4.3Å; F27-I35 HydrophobicContact CD1-CD1 4.23Å; F27-I35 HydrophobicContact CG-CD1 4.04Å; F27-E39 VanDerWaalsContact O-CB 3.28Å; F27-E39 WeakPolarHBondContact O-CB 3.46Å; F27-E39 WeakPolarHBondContact O-CG 3.41Å; F27-L40 HydrophobicContact CD1-CD1 4.47Å; F27-L40 HydrophobicContact CE1-CD1 4.3Å; F27-V43 HydrophobicContact CB-CG2 4.13Å; F27-V43 HydrophobicContact CD1-CB 3.58Å; F27-V43 HydrophobicContact CD1-CG1 3.82Å; F27-V43 HydrophobicContact CD1-CG2 3.54Å; F27-V43 HydrophobicContact CD2-CG1 4.13Å; F27-V43 HydrophobicContact CD2-CG2 4.12Å; F27-V43 HydrophobicContact CE1-CB 3.51Å; F27-V43 HydrophobicContact CE1-CG1 3.33Å; F27-V43 HydrophobicContact CE1-CG2 3.98Å; F27-V43 HydrophobicContact CE2-CG1 3.74Å; F27-V43 HydrophobicContact CG-CB 4.15Å; F27-V43 HydrophobicContact CG-CG1 4.22Å; F27-V43 HydrophobicContact CG-CG2 3.64Å; F27-V43 HydrophobicContact CZ-CB 4.04Å; F27-V43 HydrophobicContact CZ-CG1 3.31Å; F27-V43 HydrophobicContact CZ-CG2 4.5Å
28D89.5Confident87.5Confident12 Ų1262.1 Ų62.16%0.06438%0.383CS..  trans-71.182.7174.8178.412.4000110.4F24 D30 G31 G32 G33F24-D28 HydrophobicContact CD1-CB 4.39Å; F24-D28 HydrophobicContact CE1-CB 4.15Å; F24-D28 PolarHBondContact O-N 3.35Å; D28-D30 VanDerWaalsContact C-N 3.32Å; D28-G31 VanDerWaalsContact OD1-CA 3.24Å; D28-G31 WeakPolarHBondContact OD1-CA 3.24Å; D28-G31 PolarHBondContact OD1-N 3.1Å; D28-G31 VanDerWaalsContact OD2-C 3.29Å; D28-G31 VanDerWaalsContact OD2-CA 3.31Å; D28-G31 WeakPolarHBondContact OD2-CA 3.48Å; D28-G32 PolarHBondContact OD1-N 3.48Å; D28-G32 PolarHBondContact OD2-N 2.88Å; D28-G33 WeakPolarHBondContact OD2-CA 3.37Å; D28-G33 PolarHBondContact OD2-N 3.04Å
29A81.2Confident87.6Confident88 Ų8860.1 Ų60.173%0.72736%0.363SS*.SBendtrans-76.4-23.9-173.200000112.1F27 E39F27-A29 VanDerWaalsContact C-N 3.32Å; F27-A29 PolarHBondContact O-N 3.4Å; A29-E39 HydrophobicContact CB-CG 4.37Å; A29-E39 PolarHBondContact N-OE1 2.9Å
30D86.2Confident87.8Confident126 Ų12655 Ų5567%0.67434%0.339SS*.SBendtrans-93.2-11.6177.576.514.2000114.1D28 G32 E39D28-D30 VanDerWaalsContact C-N 3.32Å; D30-G32 VanDerWaalsContact C-N 3.34Å; D30-G32 WeakPolarHBondContact OD1-CA 3.43Å; D30-G32 PolarHBondContact OD1-N 2.8Å; D30-E39 PolarHBondContact N-OE1 3.21Å
31G87Confident87.9Confident59 Ų5953.4 Ų53.461%0.60833%0.332SS*.  trans74.624.9179.100000112.7D28 G33D28-G31 VanDerWaalsContact OD1-CA 3.24Å; D28-G31 WeakPolarHBondContact OD1-CA 3.24Å; D28-G31 PolarHBondContact OD1-N 3.1Å; D28-G31 VanDerWaalsContact OD2-C 3.29Å; D28-G31 VanDerWaalsContact OD2-CA 3.31Å; D28-G31 WeakPolarHBondContact OD2-CA 3.48Å; G31-G33 VanDerWaalsContact C-N 3.25Å; G31-G33 PolarHBondContact O-N 3.11Å
32G86.9Confident87.8Confident50 Ų5052.9 Ų52.952%0.51534%0.336SS..SBendtrans-68.6-23.218000000113.5D28 D30D28-G32 PolarHBondContact OD1-N 3.48Å; D28-G32 PolarHBondContact OD2-N 2.88Å; D30-G32 VanDerWaalsContact C-N 3.34Å; D30-G32 WeakPolarHBondContact OD1-CA 3.43Å; D30-G32 PolarHBondContact OD1-N 2.8Å
33G89.4Confident87.6Confident38 Ų3850.7 Ų50.739%0.39232%0.316SS..SBendtrans88.310.6-172.300000113.6F24 D28 G31F24-G33 WeakPolarHBondContact CZ-O 3.3Å; D28-G33 WeakPolarHBondContact OD2-CA 3.37Å; D28-G33 PolarHBondContact OD2-N 3.04Å; G31-G33 VanDerWaalsContact C-N 3.25Å; G31-G33 PolarHBondContact O-N 3.11Å
34D91.6Very high87.3Confident53 Ų5351.4 Ų51.428%0.28332%0.315SS..EExtended strand (participates in β ladder)trans-143150.1178.662.793.2000110.6T70 I71D34-T70 WeakPolarHBondContact CB-OG1 3.44Å; D34-T70 WeakPolarHBondContact OD1-CB 3.44Å; D34-T70 VanDerWaalsContact OD1-CG2 3.3Å; D34-T70 WeakPolarHBondContact OD1-CG2 3.46Å; D34-T70 PolarHBondContact OD1-OG1 3.08Å; D34-T70 VanDerWaalsContact OD1-OG1 3.04Å; D34-I71 CarbonylContact C-O 3.56Å; D34-I71 WeakPolarHBondContact CA-O 3.32Å
35I90.1Very high87.1Confident1 Ų157.6 Ų57.61%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-100.4114.9178.2-60.8168000108.3F24 F27 E39 L40 T70 I71 F76F24-I35 HydrophobicContact CD2-CD1 3.41Å; F24-I35 VanDerWaalsContact CD2-CD1 3.41Å; F24-I35 HydrophobicContact CD2-CG1 3.94Å; F24-I35 HydrophobicContact CE2-CD1 3.5Å; F24-I35 HydrophobicContact CE2-CG1 3.59Å; F24-I35 HydrophobicContact CG-CD1 4.22Å; F24-I35 HydrophobicContact CZ-CD1 4.36Å; F24-I35 HydrophobicContact CZ-CG1 3.98Å; F27-I35 HydrophobicContact CB-CD1 3.52Å; F27-I35 HydrophobicContact CB-CG1 3.78Å; F27-I35 HydrophobicContact CB-CG2 4.3Å; F27-I35 HydrophobicContact CD1-CD1 4.23Å; F27-I35 HydrophobicContact CG-CD1 4.04Å; I35-E39 HydrophobicContact CG2-CB 3.88Å; I35-L40 HydrophobicContact CG2-CB 4Å; I35-T70 WeakPolarHBondContact O-CA 3.49Å; I35-I71 HydrophobicContact CB-CB 4.32Å; I35-I71 PolarHBondContact N-O 3.48Å; I35-I71 PolarHBondContact O-N 2.87Å; I35-F76 HydrophobicContact CD1-CD2 3.89Å; I35-F76 HydrophobicContact CD1-CE2 4.15Å
36S90.8Very high86.6Confident31 Ų3160.7 Ų60.722%0.21735%0.351CS..EExtended strand (participates in β ladder)trans-75.9159.2172.6690000112.5K38 E39 L40S36-K38 PolarHBondContact O-N 2.95Å; S36-E39 VanDerWaalsContact CB-OE2 3.3Å; S36-E39 WeakPolarHBondContact CB-OE2 3.22Å; S36-E39 PolarHBondContact N-OE2 2.86Å; S36-E39 WeakPolarHBondContact O-CB 3.3Å; S36-E39 PolarHBondContact O-N 3.1Å; S36-E39 PolarHBondContact OG-N 3.26Å; S36-E39 PolarHBondContact OG-OE2 2.98Å; S36-L40 PolarHBondContact O-N 3.21Å
37V89.6Confident86.1Confident35 Ų3560 Ų6021%0.21235%0.35CS..Hα-helixtrans-44.8-38.5169.8-174.80000112.1G41 L56 D57 I60V37-G41 PolarHBondContact O-N 2.82Å; V37-L56 HydrophobicContact CG1-CB 3.76Å; V37-L56 HydrophobicContact CG1-CD1 4.28Å; V37-D57 WeakPolarHBondContact CG1-OD1 3.5Å; V37-I60 VanDerWaalsContact CA-CD1 3.42Å; V37-I60 HydrophobicContact CB-CD1 3.76Å; V37-I60 HydrophobicContact CG1-CD1 4.31Å; V37-I60 HydrophobicContact CG2-CD1 3.28Å
38K89Confident85.7Confident169 Ų16961.4 Ų61.474%0.73537%0.374SS*.Hα-helixtrans-72.5-39.2-178-68.8179.2-176.5168.80112.3S36 T42S36-K38 PolarHBondContact O-N 2.95Å; K38-T42 WeakPolarHBondContact O-CB 3.26Å; K38-T42 PolarHBondContact O-N 2.96Å; K38-T42 PolarHBondContact O-OG1 2.93Å
39E90.6Very high85.2Confident17 Ų1766.6 Ų66.68%0.07940%0.398CS..Hα-helixtrans-68.8-47.8178.2-79.4161.1140.900110.7F27 A29 D30 I35 S36 G41 T42 V43F27-E39 VanDerWaalsContact O-CB 3.28Å; F27-E39 WeakPolarHBondContact O-CB 3.46Å; F27-E39 WeakPolarHBondContact O-CG 3.41Å; A29-E39 HydrophobicContact CB-CG 4.37Å; A29-E39 PolarHBondContact N-OE1 2.9Å; D30-E39 PolarHBondContact N-OE1 3.21Å; I35-E39 HydrophobicContact CG2-CB 3.88Å; S36-E39 VanDerWaalsContact CB-OE2 3.3Å; S36-E39 WeakPolarHBondContact CB-OE2 3.22Å; S36-E39 PolarHBondContact N-OE2 2.86Å; S36-E39 WeakPolarHBondContact O-CB 3.3Å; S36-E39 PolarHBondContact O-N 3.1Å; S36-E39 PolarHBondContact OG-N 3.26Å; S36-E39 PolarHBondContact OG-OE2 2.98Å; E39-G41 VanDerWaalsContact C-N 3.32Å; E39-G41 PolarHBondContact O-N 3.47Å; E39-T42 WeakPolarHBondContact O-CA 3.06Å; E39-T42 WeakPolarHBondContact O-CB 3.46Å; E39-T42 PolarHBondContact O-N 2.95Å; E39-V43 PolarHBondContact O-N 3.33Å
40L87.5Confident85.3Confident11 Ų1168.1 Ų68.16%0.05840%0.398CS..Hα-helixtrans-53.6-50.3173-176.862.5000111F27 I35 S36 T42 V43 M44 L56 I59 I60 I71F27-L40 HydrophobicContact CD1-CD1 4.47Å; F27-L40 HydrophobicContact CE1-CD1 4.3Å; I35-L40 HydrophobicContact CG2-CB 4Å; S36-L40 PolarHBondContact O-N 3.21Å; L40-T42 VanDerWaalsContact C-N 3.26Å; L40-T42 PolarHBondContact O-N 3.25Å; L40-V43 PolarHBondContact O-N 3.33Å; L40-M44 HydrophobicContact CD1-CG 4.44Å; L40-M44 HydrophobicContact CD1-SD 4.45Å; L40-M44 HydrophobicContact CG-SD 4.29Å; L40-M44 WeakPolarHBondContact O-CG 3.37Å; L40-M44 PolarHBondContact O-N 3.4Å; L40-L56 HydrophobicContact CB-CD2 4.23Å; L40-L56 HydrophobicContact CD2-CD2 3.83Å; L40-L56 HydrophobicContact CG-CD2 3.72Å; L40-I59 HydrophobicContact CD2-CB 4.21Å; L40-I59 HydrophobicContact CD2-CG2 3.83Å; L40-I60 HydrophobicContact CD2-CD1 4.36Å; L40-I60 HydrophobicContact CD2-CG1 4.21Å; L40-I71 HydrophobicContact CD2-CD1 4.38Å
41G87.4Confident85.4Confident0 Ų062.8 Ų62.80%037%0.371CS..Hα-helixtrans-65.1-26.5177.500000114.4V37 E39 R45V37-G41 PolarHBondContact O-N 2.82Å; E39-G41 VanDerWaalsContact C-N 3.32Å; E39-G41 PolarHBondContact O-N 3.47Å; G41-R45 WeakPolarHBondContact O-CB 3.38Å; G41-R45 WeakPolarHBondContact O-CG 3.4Å; G41-R45 VanDerWaalsContact O-CZ 3.31Å; G41-R45 PolarHBondContact O-N 3.2Å; G41-R45 PolarHBondContact O-NE 3.18Å; G41-R45 PolarHBondContact O-NH2 2.84Å
42T86.7Confident85.5Confident68 Ų6863.2 Ų63.242%0.41736%0.361SS..Hα-helixtrans-72.5-45.7175.3-630000110.3K38 E39 L40 R45 M46K38-T42 WeakPolarHBondContact O-CB 3.26Å; K38-T42 PolarHBondContact O-N 2.96Å; K38-T42 PolarHBondContact O-OG1 2.93Å; E39-T42 WeakPolarHBondContact O-CA 3.06Å; E39-T42 WeakPolarHBondContact O-CB 3.46Å; E39-T42 PolarHBondContact O-N 2.95Å; L40-T42 VanDerWaalsContact C-N 3.26Å; L40-T42 PolarHBondContact O-N 3.25Å; T42-R45 PolarHBondContact O-N 2.86Å; T42-M46 HydrophobicContact CG2-CE 3.89Å; T42-M46 WeakPolarHBondContact O-CG 3.38Å; T42-M46 PolarHBondContact O-N 2.91Å
43V82.8Confident85.7Confident16 Ų1667.2 Ų67.210%0.09737%0.365CS..Hα-helixtrans-69.3-43.1-179.9-179.20000111.8F27 E39 L40 R45 M46 L47F27-V43 HydrophobicContact CB-CG2 4.13Å; F27-V43 HydrophobicContact CD1-CB 3.58Å; F27-V43 HydrophobicContact CD1-CG1 3.82Å; F27-V43 HydrophobicContact CD1-CG2 3.54Å; F27-V43 HydrophobicContact CD2-CG1 4.13Å; F27-V43 HydrophobicContact CD2-CG2 4.12Å; F27-V43 HydrophobicContact CE1-CB 3.51Å; F27-V43 HydrophobicContact CE1-CG1 3.33Å; F27-V43 HydrophobicContact CE1-CG2 3.98Å; F27-V43 HydrophobicContact CE2-CG1 3.74Å; F27-V43 HydrophobicContact CG-CB 4.15Å; F27-V43 HydrophobicContact CG-CG1 4.22Å; F27-V43 HydrophobicContact CG-CG2 3.64Å; F27-V43 HydrophobicContact CZ-CB 4.04Å; F27-V43 HydrophobicContact CZ-CG1 3.31Å; F27-V43 HydrophobicContact CZ-CG2 4.5Å; E39-V43 PolarHBondContact O-N 3.33Å; L40-V43 PolarHBondContact O-N 3.33Å; V43-R45 PolarHBondContact O-N 3.21Å; V43-M46 WeakPolarHBondContact O-CA 3.33Å; V43-M46 WeakPolarHBondContact O-CB 3.29Å; V43-M46 PolarHBondContact O-N 3.31Å; V43-L47 HydrophobicContact CG1-CD1 4.2Å; V43-L47 HydrophobicContact CG1-CG 4.41Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 3.25Å
44M80.2Confident85.7Confident48 Ų4872 Ų7224%0.23638%0.377CS..Hα-helixtrans-56.3-40.2174.2-70.8-172.2102.500111.4L40 L47 G48 Q49 P51 L56 I59L40-M44 HydrophobicContact CD1-CG 4.44Å; L40-M44 HydrophobicContact CD1-SD 4.45Å; L40-M44 HydrophobicContact CG-SD 4.29Å; L40-M44 WeakPolarHBondContact O-CG 3.37Å; L40-M44 PolarHBondContact O-N 3.4Å; M44-L47 CarbonylContact O-C 3.59Å; M44-L47 PolarHBondContact O-N 2.9Å; M44-G48 PolarHBondContact O-N 2.58Å; M44-Q49 CarbonylContact C-O 3.33Å; M44-Q49 HydrophobicContact CB-CB 4.19Å; M44-Q49 WeakPolarHBondContact O-CA 3.31Å; M44-Q49 WeakPolarHBondContact O-CB 3.13Å; M44-Q49 PolarHBondContact O-N 3.4Å; M44-Q49 VanDerWaalsContact O-O 3.08Å; M44-P51 HydrophobicContact CB-CG 3.68Å; M44-P51 HydrophobicContact CG-CG 4.3Å; M44-P51 HydrophobicContact SD-CB 4.01Å; M44-P51 HydrophobicContact SD-CG 3.7Å; M44-L56 HydrophobicContact SD-CD2 3.64Å; M44-I59 HydrophobicContact CE-CD1 4.02Å; M44-I59 HydrophobicContact SD-CD1 4.11Å
45R83.2Confident85.6Confident132 Ų13274.4 Ų74.450%0.49839%0.386SS..Hα-helixtrans-64.5-36.8172.3-79.7-175.7-85.4-97.7-0.6114.2G41 T42 V43 L47 G48 Q49G41-R45 WeakPolarHBondContact O-CB 3.38Å; G41-R45 WeakPolarHBondContact O-CG 3.4Å; G41-R45 VanDerWaalsContact O-CZ 3.31Å; G41-R45 PolarHBondContact O-N 3.2Å; G41-R45 PolarHBondContact O-NE 3.18Å; G41-R45 PolarHBondContact O-NH2 2.84Å; T42-R45 PolarHBondContact O-N 2.86Å; V43-R45 PolarHBondContact O-N 3.21Å; R45-L47 VanDerWaalsContact C-N 3.27Å; R45-L47 PolarHBondContact O-N 2.57Å; R45-G48 PolarHBondContact O-N 2.95Å; R45-Q49 WeakPolarHBondContact CA-O 3.44Å; R45-Q49 WeakPolarHBondContact CG-O 3.45Å; R45-Q49 PolarHBondContact N-O 2.9Å
46M77.6Confident85.5Confident142 Ų14274.7 Ų74.770%0.739%0.388SS*.Hα-helixtrans-66.4-31173.8-70.6-176.2179.300112.4T42 V43 G48T42-M46 HydrophobicContact CG2-CE 3.89Å; T42-M46 WeakPolarHBondContact O-CG 3.38Å; T42-M46 PolarHBondContact O-N 2.91Å; V43-M46 WeakPolarHBondContact O-CA 3.33Å; V43-M46 WeakPolarHBondContact O-CB 3.29Å; V43-M46 PolarHBondContact O-N 3.31Å; M46-G48 PolarHBondContact O-N 2.93Å
47L74.3Confident85.5Confident130 Ų13076.1 Ų76.168%0.68139%0.393SS*.THydrogen-bonded Turntrans-81.33.6175.3-62.9174.5000113.6V43 M44 R45V43-L47 HydrophobicContact CG1-CD1 4.2Å; V43-L47 HydrophobicContact CG1-CG 4.41Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 3.25Å; M44-L47 CarbonylContact O-C 3.59Å; M44-L47 PolarHBondContact O-N 2.9Å; R45-L47 VanDerWaalsContact C-N 3.27Å; R45-L47 PolarHBondContact O-N 2.57Å
48G77.9Confident85.4Confident63 Ų6377 Ų7765%0.64940%0.404SS*.THydrogen-bonded Turntrans85.24.3179.100000114.6M44 R45 M46M44-G48 PolarHBondContact O-N 2.58Å; R45-G48 PolarHBondContact O-N 2.95Å; M46-G48 PolarHBondContact O-N 2.93Å
49Q78.8Confident85.2Confident121 Ų12171.2 Ų71.257%0.56538%0.38SS*.  trans-86.8143.7172.4-60.3-67.4-20.400110.4M44 R45 P51M44-Q49 CarbonylContact C-O 3.33Å; M44-Q49 HydrophobicContact CB-CB 4.19Å; M44-Q49 WeakPolarHBondContact O-CA 3.31Å; M44-Q49 WeakPolarHBondContact O-CB 3.13Å; M44-Q49 PolarHBondContact O-N 3.4Å; M44-Q49 VanDerWaalsContact O-O 3.08Å; R45-Q49 WeakPolarHBondContact CA-O 3.44Å; R45-Q49 WeakPolarHBondContact CG-O 3.45Å; R45-Q49 PolarHBondContact N-O 2.9Å; Q49-P51 VanDerWaalsContact C-CD 3.42Å; Q49-P51 VanDerWaalsContact O-CD 3.29Å; Q49-P51 WeakPolarHBondContact O-CD 3.45Å
50T84.7Confident85.1Confident120 Ų12070.7 Ų70.774%0.73638%0.378SS*.  trans-11970.5175.756.10000110.7
51P86.4Confident85.1Confident15 Ų1578 Ų7810%0.09741%0.412CS..  trans-67.1141.2-179.132.4-38.7000110.3M44 Q49 E55 L56M44-P51 HydrophobicContact CB-CG 3.68Å; M44-P51 HydrophobicContact CG-CG 4.3Å; M44-P51 HydrophobicContact SD-CB 4.01Å; M44-P51 HydrophobicContact SD-CG 3.7Å; Q49-P51 VanDerWaalsContact C-CD 3.42Å; Q49-P51 VanDerWaalsContact O-CD 3.29Å; Q49-P51 WeakPolarHBondContact O-CD 3.45Å; P51-E55 WeakPolarHBondContact CA-OE2 3.24Å; P51-E55 HydrophobicContact CB-CB 4.32Å; P51-L56 HydrophobicContact CB-CD2 3.98Å; P51-L56 HydrophobicContact CB-CG 3.99Å; P51-L56 HydrophobicContact CG-CD1 4.22Å; P51-L56 HydrophobicContact CG-CD2 3.74Å; P51-L56 HydrophobicContact CG-CG 4.01Å
52T90.9Very high85Confident68 Ų6883.8 Ų83.842%0.41744%0.439SS..  trans-68.4163.7166.661.10000110E54 E55 L56T52-E54 PolarHBondContact O-N 2.74Å; T52-E55 WeakPolarHBondContact CB-OE2 3.46Å; T52-E55 PolarHBondContact N-OE2 3.17Å; T52-E55 PolarHBondContact O-N 2.78Å; T52-E55 WeakPolarHBondContact OG1-CB 3.16Å; T52-E55 VanDerWaalsContact OG1-CD 3.27Å; T52-E55 VanDerWaalsContact OG1-CG 3.24Å; T52-E55 WeakPolarHBondContact OG1-CG 3.45Å; T52-E55 PolarHBondContact OG1-N 3.34Å; T52-E55 PolarHBondContact OG1-OE2 2.92Å; T52-L56 WeakPolarHBondContact O-CG 3.41Å; T52-L56 PolarHBondContact O-N 3.43Å
53K89.2Confident84.8Confident134 Ų13480.9 Ų80.958%0.58342%0.421SS*.Hα-helixtrans-65.1-38.1177.4-174.6-173170.1-157.90110E55 L56 D57K53-E55 VanDerWaalsContact C-N 3.33Å; K53-E55 PolarHBondContact O-N 3.33Å; K53-L56 PolarHBondContact O-N 2.83Å; K53-D57 VanDerWaalsContact CE-OD2 3.28Å; K53-D57 WeakPolarHBondContact CE-OD2 3.36Å; K53-D57 IonicContact NZ-OD2 3.89Å; K53-D57 WeakPolarHBondContact O-CB 3.18Å; K53-D57 VanDerWaalsContact O-CG 3.27Å; K53-D57 PolarHBondContact O-N 3.34Å
54E91.1Very high85.1Confident138 Ų13881.5 Ų81.565%0.64542%0.424SS*.Hα-helixtrans-61.2-40.3178.5-64.672.8-164.900111.7T52 A58T52-E54 PolarHBondContact O-N 2.74Å; E54-A58 VanDerWaalsContact O-CB 3.3Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3.07Å
55E88.3Confident85.2Confident104 Ų10482.9 Ų82.949%0.48643%0.43SS..Hα-helixtrans-66.3-40.9173.8-75.1162.2143.900112.1P51 T52 K53 A58 I59P51-E55 WeakPolarHBondContact CA-OE2 3.24Å; P51-E55 HydrophobicContact CB-CB 4.32Å; T52-E55 WeakPolarHBondContact CB-OE2 3.46Å; T52-E55 PolarHBondContact N-OE2 3.17Å; T52-E55 PolarHBondContact O-N 2.78Å; T52-E55 WeakPolarHBondContact OG1-CB 3.16Å; T52-E55 VanDerWaalsContact OG1-CD 3.27Å; T52-E55 VanDerWaalsContact OG1-CG 3.24Å; T52-E55 WeakPolarHBondContact OG1-CG 3.45Å; T52-E55 PolarHBondContact OG1-N 3.34Å; T52-E55 PolarHBondContact OG1-OE2 2.92Å; K53-E55 VanDerWaalsContact C-N 3.33Å; K53-E55 PolarHBondContact O-N 3.33Å; E55-A58 PolarHBondContact O-N 3.41Å; E55-I59 VanDerWaalsContact O-CG1 3.26Å; E55-I59 WeakPolarHBondContact O-CG1 3.46Å; E55-I59 PolarHBondContact O-N 2.89Å
56L89.4Confident85.3Confident7 Ų781.9 Ų81.94%0.03744%0.435CS..Hα-helixtrans-67.1-43.4177.6-65.3168.7000112.1V37 L40 M44 P51 T52 K53 A58 I59 I60V37-L56 HydrophobicContact CG1-CB 3.76Å; V37-L56 HydrophobicContact CG1-CD1 4.28Å; L40-L56 HydrophobicContact CB-CD2 4.23Å; L40-L56 HydrophobicContact CD2-CD2 3.83Å; L40-L56 HydrophobicContact CG-CD2 3.72Å; M44-L56 HydrophobicContact SD-CD2 3.64Å; P51-L56 HydrophobicContact CB-CD2 3.98Å; P51-L56 HydrophobicContact CB-CG 3.99Å; P51-L56 HydrophobicContact CG-CD1 4.22Å; P51-L56 HydrophobicContact CG-CD2 3.74Å; P51-L56 HydrophobicContact CG-CG 4.01Å; T52-L56 WeakPolarHBondContact O-CG 3.41Å; T52-L56 PolarHBondContact O-N 3.43Å; K53-L56 PolarHBondContact O-N 2.83Å; L56-A58 VanDerWaalsContact C-N 3.28Å; L56-A58 PolarHBondContact O-N 2.98Å; L56-I59 PolarHBondContact O-N 3.37Å; L56-I60 WeakPolarHBondContact O-CG1 3.12Å; L56-I60 PolarHBondContact O-N 3.25Å
57D89.4Confident85.7Confident61 Ų6178 Ų7833%0.32643%0.431SS..Hα-helixtrans-62.8-39.2177.1-70.3-16.9000109.9V37 K53 I60 E61V37-D57 WeakPolarHBondContact CG1-OD1 3.5Å; K53-D57 VanDerWaalsContact CE-OD2 3.28Å; K53-D57 WeakPolarHBondContact CE-OD2 3.36Å; K53-D57 IonicContact NZ-OD2 3.89Å; K53-D57 WeakPolarHBondContact O-CB 3.18Å; K53-D57 VanDerWaalsContact O-CG 3.27Å; K53-D57 PolarHBondContact O-N 3.34Å; D57-I60 PolarHBondContact O-N 3.06Å; D57-E61 WeakPolarHBondContact O-CB 3.4Å; D57-E61 PolarHBondContact O-N 2.78Å
58A88.2Confident86.4Confident53 Ų5374.7 Ų74.744%0.43842%0.419SS..Hα-helixtrans-65.9-42175.900000113E54 E55 L56 I60 E61 E62E54-A58 VanDerWaalsContact O-CB 3.3Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3.07Å; E55-A58 PolarHBondContact O-N 3.41Å; L56-A58 VanDerWaalsContact C-N 3.28Å; L56-A58 PolarHBondContact O-N 2.98Å; A58-I60 VanDerWaalsContact C-N 3.29Å; A58-I60 PolarHBondContact O-N 3.4Å; A58-E61 PolarHBondContact O-N 3.13Å; A58-E62 PolarHBondContact O-N 2.63Å; A58-E62 VanDerWaalsContact O-N 3.1Å
59I85.3Confident86.9Confident47 Ų4773.4 Ų73.424%0.24141%0.405CS..Hα-helixtrans-60.2-44175.4-69162.7000110L40 M44 E55 L56 E62 V63 M79L40-I59 HydrophobicContact CD2-CB 4.21Å; L40-I59 HydrophobicContact CD2-CG2 3.83Å; M44-I59 HydrophobicContact CE-CD1 4.02Å; M44-I59 HydrophobicContact SD-CD1 4.11Å; E55-I59 VanDerWaalsContact O-CG1 3.26Å; E55-I59 WeakPolarHBondContact O-CG1 3.46Å; E55-I59 PolarHBondContact O-N 2.89Å; L56-I59 PolarHBondContact O-N 3.37Å; I59-E62 PolarHBondContact O-N 3.37Å; I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I59-M79 HydrophobicContact CG2-SD 4.25Å
60I88Confident87.5Confident7 Ų769.2 Ų69.24%0.03639%0.388CS..Hα-helixtrans-66.3-48.2179.2-72.1167.2000110.4V37 L40 L56 D57 A58 E62 V63 D64 I71V37-I60 VanDerWaalsContact CA-CD1 3.42Å; V37-I60 HydrophobicContact CB-CD1 3.76Å; V37-I60 HydrophobicContact CG1-CD1 4.31Å; V37-I60 HydrophobicContact CG2-CD1 3.28Å; L40-I60 HydrophobicContact CD2-CD1 4.36Å; L40-I60 HydrophobicContact CD2-CG1 4.21Å; L56-I60 WeakPolarHBondContact O-CG1 3.12Å; L56-I60 PolarHBondContact O-N 3.25Å; D57-I60 PolarHBondContact O-N 3.06Å; A58-I60 VanDerWaalsContact C-N 3.29Å; A58-I60 PolarHBondContact O-N 3.4Å; I60-E62 PolarHBondContact O-N 3.45Å; I60-E62 VanDerWaalsContact O-N 3.11Å; I60-V63 PolarHBondContact O-N 3.04Å; I60-D64 HydrophobicContact CG2-CB 3.98Å; I60-D64 WeakPolarHBondContact O-CB 3.31Å; I60-D64 PolarHBondContact O-N 3.46Å; I60-I71 HydrophobicContact CG1-CD1 3.8Å; I60-I71 HydrophobicContact CG1-CG1 3.92Å
61E88.1Confident87.7Confident165 Ų16563.5 Ų63.577%0.77135%0.352SS*.Hα-helixtrans-58-27.6178.7-173.5175.1-170.300113D57 A58D57-E61 WeakPolarHBondContact O-CB 3.4Å; D57-E61 PolarHBondContact O-N 2.78Å; A58-E61 PolarHBondContact O-N 3.13Å
62E84.5Confident88Confident120 Ų12065 Ų6556%0.56136%0.36SS*.Hα-helixtrans-73.3-28.4178.1-158.9-165.6127.100113.8A58 I59 I60 R82A58-E62 PolarHBondContact O-N 2.63Å; A58-E62 VanDerWaalsContact O-N 3.1Å; I59-E62 PolarHBondContact O-N 3.37Å; I60-E62 PolarHBondContact O-N 3.45Å; I60-E62 VanDerWaalsContact O-N 3.11Å; E62-R82 IonicContact OE1-NH1 2.63Å; E62-R82 PolarHBondContact OE1-NH1 3.33Å
63V83.7Confident88Confident8 Ų863 Ų635%0.04835%0.346CS..Hα-helixtrans-115.4-22.2-171.2-55.10000113.9I59 I60 E65 I71 E75 M79I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I60-V63 PolarHBondContact O-N 3.04Å; V63-E65 VanDerWaalsContact C-N 3.3Å; V63-E65 PolarHBondContact O-N 2.83Å; V63-I71 HydrophobicContact CG2-CD1 3.68Å; V63-I71 HydrophobicContact CG2-CG1 3.7Å; V63-I71 HydrophobicContact CG2-CG2 4.12Å; V63-E75 WeakPolarHBondContact O-CG 3.47Å; V63-M79 HydrophobicContact CG1-CB 3.94Å; V63-M79 HydrophobicContact CG1-CG 4.01Å; V63-M79 HydrophobicContact CG1-SD 4.45Å
64D87.8Confident88.1Confident28 Ų2858.5 Ų58.515%0.1533%0.327CS..  trans-71.780178.118017000109.9I60 D66 G67 S68 G69 E75I60-D64 HydrophobicContact CG2-CB 3.98Å; I60-D64 WeakPolarHBondContact O-CB 3.31Å; I60-D64 PolarHBondContact O-N 3.46Å; D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.36Å; D64-G67 VanDerWaalsContact OD1-CA 3.22Å; D64-G67 WeakPolarHBondContact OD1-CA 3.26Å; D64-G67 PolarHBondContact OD1-N 2.91Å; D64-G67 VanDerWaalsContact OD2-C 3.32Å; D64-G67 VanDerWaalsContact OD2-CA 3.3Å; D64-G67 WeakPolarHBondContact OD2-CA 3.31Å; D64-S68 PolarHBondContact OD1-N 2.92Å; D64-S68 PolarHBondContact OD1-OG 2.91Å; D64-S68 PolarHBondContact OD2-N 3.25Å; D64-G69 VanDerWaalsContact OD2-CA 3.29Å; D64-G69 WeakPolarHBondContact OD2-CA 3.39Å; D64-G69 PolarHBondContact OD2-N 3.24Å; D64-E75 WeakPolarHBondContact CA-OE1 3.33Å
65E82.2Confident88.1Confident78 Ų7852 Ų5236%0.36430%0.296SS..SBendtrans-70.8-26.7-176.9-70-165.9135.900111.6T2 Q4 V63 E75T2-E65 VanDerWaalsContact CB-OE2 3.24Å; T2-E65 WeakPolarHBondContact CB-OE2 3.37Å; T2-E65 WeakPolarHBondContact CG2-OE2 3.49Å; T2-E65 PolarHBondContact OG1-OE2 3.44Å; Q4-E65 VanDerWaalsContact CD-OE1 3.32Å; Q4-E65 PolarHBondContact NE2-OE1 2.91Å; V63-E65 VanDerWaalsContact C-N 3.3Å; V63-E65 PolarHBondContact O-N 2.83Å; E65-E75 PolarHBondContact N-OE1 3.41Å
66D85.7Confident88.1Confident111 Ų11147.1 Ų47.159%0.59427%0.273SS*.SBendtrans-94.5-10.6-177.685.1-7.6000114.1D64 S68D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.36Å; D66-S68 WeakPolarHBondContact OD1-CB 3.28Å; D66-S68 PolarHBondContact OD1-N 3.35Å; D66-S68 PolarHBondContact OD1-OG 3.05Å
67G86.5Confident88.1Confident60 Ų6046.8 Ų46.862%0.61927%0.272SS*.  trans73.626.217800000113.1D64 G69D64-G67 VanDerWaalsContact OD1-CA 3.22Å; D64-G67 WeakPolarHBondContact OD1-CA 3.26Å; D64-G67 PolarHBondContact OD1-N 2.91Å; D64-G67 VanDerWaalsContact OD2-C 3.32Å; D64-G67 VanDerWaalsContact OD2-CA 3.3Å; D64-G67 WeakPolarHBondContact OD2-CA 3.31Å; G67-G69 VanDerWaalsContact C-N 3.25Å; G67-G69 PolarHBondContact O-N 3.36Å
68S89.2Confident88Confident61 Ų6144.4 Ų44.443%0.42726%0.259SS..  trans-68.5-24.6177.861.70000112.9D64 D66 T70D64-S68 PolarHBondContact OD1-N 2.92Å; D64-S68 PolarHBondContact OD1-OG 2.91Å; D64-S68 PolarHBondContact OD2-N 3.25Å; D66-S68 WeakPolarHBondContact OD1-CB 3.28Å; D66-S68 PolarHBondContact OD1-N 3.35Å; D66-S68 PolarHBondContact OD1-OG 3.05Å; S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact OG-N 2.84Å; S68-T70 PolarHBondContact OG-O 2.63Å; S68-T70 VanDerWaalsContact OG-O 3.1Å
69G88.2Confident87.9Confident35 Ų3543.8 Ų43.836%0.36125%0.248SC..SBendtrans7811.1-171.300000113.7D64 G67D64-G69 VanDerWaalsContact OD2-CA 3.29Å; D64-G69 WeakPolarHBondContact OD2-CA 3.39Å; D64-G69 PolarHBondContact OD2-N 3.24Å; G67-G69 VanDerWaalsContact C-N 3.25Å; G67-G69 PolarHBondContact O-N 3.36Å
70T90.3Very high87.8Confident33 Ų3343.7 Ų43.720%0.20225%0.247CC..EExtended strand (participates in β ladder)trans-133.1169.5172.962.30000109.4D34 I35 S68D34-T70 WeakPolarHBondContact CB-OG1 3.44Å; D34-T70 WeakPolarHBondContact OD1-CB 3.44Å; D34-T70 VanDerWaalsContact OD1-CG2 3.3Å; D34-T70 WeakPolarHBondContact OD1-CG2 3.46Å; D34-T70 PolarHBondContact OD1-OG1 3.08Å; D34-T70 VanDerWaalsContact OD1-OG1 3.04Å; I35-T70 WeakPolarHBondContact O-CA 3.49Å; S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact OG-N 2.84Å; S68-T70 PolarHBondContact OG-O 2.63Å; S68-T70 VanDerWaalsContact OG-O 3.1Å
71I90.7Very high87.6Confident0 Ų043.5 Ų43.50%025%0.246CC..EExtended strand (participates in β ladder)trans-110.7112.3-179.7-54.2175.1000108.1D34 I35 L40 I60 V63 E75 F76D34-I71 CarbonylContact C-O 3.56Å; D34-I71 WeakPolarHBondContact CA-O 3.32Å; I35-I71 HydrophobicContact CB-CB 4.32Å; I35-I71 PolarHBondContact N-O 3.48Å; I35-I71 PolarHBondContact O-N 2.87Å; L40-I71 HydrophobicContact CD2-CD1 4.38Å; I60-I71 HydrophobicContact CG1-CD1 3.8Å; I60-I71 HydrophobicContact CG1-CG1 3.92Å; V63-I71 HydrophobicContact CG2-CD1 3.68Å; V63-I71 HydrophobicContact CG2-CG1 3.7Å; V63-I71 HydrophobicContact CG2-CG2 4.12Å; I71-E75 WeakPolarHBondContact CA-OE2 3.48Å; I71-E75 HydrophobicContact CG2-CB 3.76Å; I71-F76 HydrophobicContact CG2-CB 4.04Å
72D92.3Very high87.1Confident47 Ų4739.3 Ų39.325%0.25122%0.223SC..EExtended strand (participates in β ladder)trans-74.7170.7172.982.828.8000112E74 E75 F76D72-E74 VanDerWaalsContact C-N 3.29Å; D72-E74 PolarHBondContact O-N 3.36Å; D72-E74 VanDerWaalsContact OD1-CA 3.31Å; D72-E74 WeakPolarHBondContact OD1-CA 3.37Å; D72-E74 WeakPolarHBondContact OD1-CB 3.46Å; D72-E74 PolarHBondContact OD1-N 3.41Å; D72-E75 PolarHBondContact N-OE2 2.88Å; D72-E75 PolarHBondContact O-N 3.1Å; D72-E75 PolarHBondContact OD1-N 3Å; D72-F76 WeakPolarHBondContact O-CB 3.39Å; D72-F76 PolarHBondContact O-N 3.32Å
73F91.1Very high86.5Confident27 Ų2738 Ų3812%0.11822%0.217CC..Hα-helixtrans-62.5-34.3-178.6-177.9-115.1000113.5I17 K21 F24 F76 L77I17-F73 HydrophobicContact CG2-CE1 4.04Å; I17-F73 HydrophobicContact CG2-CZ 3.96Å; K21-F73 VanDerWaalsContact CA-CE2 3.42Å; K21-F73 HydrophobicContact CB-CE1 4.5Å; K21-F73 HydrophobicContact CB-CE2 3.77Å; K21-F73 HydrophobicContact CB-CZ 3.65Å; K21-F73 HydrophobicContact CD-CD1 4.21Å; K21-F73 HydrophobicContact CD-CD2 3.7Å; K21-F73 HydrophobicContact CD-CE1 4.12Å; K21-F73 HydrophobicContact CD-CE2 3.63Å; K21-F73 HydrophobicContact CD-CG 4.01Å; K21-F73 HydrophobicContact CD-CZ 3.83Å; K21-F73 HydrophobicContact CG-CE2 4.31Å; K21-F73 HydrophobicContact CG-CZ 4.27Å; F24-F73 HydrophobicContact CB-CD2 3.85Å; F24-F73 HydrophobicContact CB-CE2 4.13Å; F24-F73 HydrophobicContact CD1-CD2 4.18Å; F24-F73 HydrophobicContact CD2-CB 4.44Å; F24-F73 AromaticContact CD2-CD2 3.9Å; F24-F73 HydrophobicContact CD2-CD2 3.9Å; F24-F73 HydrophobicContact CE1-CB 4.34Å; F24-F73 HydrophobicContact CE2-CB 4.22Å; F24-F73 HydrophobicContact CE2-CD2 4.49Å; F24-F73 AromaticContact CG-CD2 3.71Å; F24-F73 HydrophobicContact CG-CD2 3.71Å; F24-F73 HydrophobicContact CG-CE2 4.48Å; F24-F73 HydrophobicContact CZ-CB 4.15Å; F73-F76 HydrophobicContact CD2-CD1 4.48Å; F73-F76 HydrophobicContact CE2-CD1 4.45Å; F73-L77 HydrophobicContact CD1-CD1 4.36Å; F73-L77 HydrophobicContact CE1-CD1 3.8Å; F73-L77 HydrophobicContact CE1-CD2 4.45Å; F73-L77 HydrophobicContact CE1-CG 4.16Å; F73-L77 HydrophobicContact CE2-CD2 4.09Å; F73-L77 HydrophobicContact CE2-CG 4.28Å; F73-L77 HydrophobicContact CZ-CD1 4.02Å; F73-L77 HydrophobicContact CZ-CD2 3.83Å; F73-L77 HydrophobicContact CZ-CG 3.99Å; F73-L77 WeakPolarHBondContact O-CG 3.47Å; F73-L77 PolarHBondContact O-N 3.25Å
74E90.7Very high85.9Confident39 Ų3940.6 Ų40.618%0.18223%0.229CC..Hα-helixtrans-70.9-40.7178.2-58-61.8149.500111.3Q5 R9 D72 F76 L77 V78Q5-E74 HydrophobicContact CB-CB 4.22Å; Q5-E74 HydrophobicContact CG-CB 3.77Å; R9-E74 IonicContact CZ-OE1 2.79Å; R9-E74 IonicContact CZ-OE2 3.08Å; R9-E74 IonicContact NE-OE1 3.77Å; R9-E74 PolarHBondContact NE-OE1 3.37Å; R9-E74 VanDerWaalsContact NE-OE1 3.08Å; R9-E74 IonicContact NE-OE2 2.73Å; R9-E74 PolarHBondContact NE-OE2 2.94Å; R9-E74 IonicContact NH2-OE1 3.91Å; R9-E74 PolarHBondContact NH2-OE1 2.84Å; R9-E74 IonicContact NH2-OE2 3.89Å; D72-E74 VanDerWaalsContact C-N 3.29Å; D72-E74 PolarHBondContact O-N 3.36Å; D72-E74 VanDerWaalsContact OD1-CA 3.31Å; D72-E74 WeakPolarHBondContact OD1-CA 3.37Å; D72-E74 WeakPolarHBondContact OD1-CB 3.46Å; D72-E74 PolarHBondContact OD1-N 3.41Å; E74-F76 VanDerWaalsContact C-N 3.33Å; E74-L77 PolarHBondContact O-N 2.95Å; E74-V78 WeakPolarHBondContact O-CG2 3.39Å; E74-V78 PolarHBondContact O-N 3.05Å
75E90.6Very high84.9Confident2 Ų242.5 Ų42.51%0.00924%0.236CC..Hα-helixtrans-63.7-39.7173.7-66.6173.8144.700111.4V63 D64 E65 I71 D72 L77 V78 M79V63-E75 WeakPolarHBondContact O-CG 3.47Å; D64-E75 WeakPolarHBondContact CA-OE1 3.33Å; E65-E75 PolarHBondContact N-OE1 3.41Å; I71-E75 WeakPolarHBondContact CA-OE2 3.48Å; I71-E75 HydrophobicContact CG2-CB 3.76Å; D72-E75 PolarHBondContact N-OE2 2.88Å; D72-E75 PolarHBondContact O-N 3.1Å; D72-E75 PolarHBondContact OD1-N 3Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.04Å; E75-V78 WeakPolarHBondContact O-CB 3.48Å; E75-V78 PolarHBondContact O-N 3.14Å; E75-M79 PolarHBondContact O-N 2.95Å
76F89.3Confident84Confident1 Ų144 Ų440%0.00424%0.243CC..Hα-helixtrans-60.7-40.6172.7-178.1-98.5000112.3F20 F24 I35 I71 D72 F73 E74 M79 M80F20-F76 HydrophobicContact CB-CE1 4.05Å; F20-F76 WeakPolarHBondContact O-CE1 3.23Å; F24-F76 HydrophobicContact CB-CD1 4.26Å; F24-F76 HydrophobicContact CB-CE1 4.2Å; F24-F76 HydrophobicContact CD2-CB 3.73Å; F24-F76 AromaticContact CD2-CD1 4Å; F24-F76 HydrophobicContact CD2-CD1 4Å; F24-F76 HydrophobicContact CD2-CD2 4.08Å; F24-F76 AromaticContact CD2-CG 3.69Å; F24-F76 HydrophobicContact CD2-CG 3.69Å; F24-F76 HydrophobicContact CE2-CB 3.99Å; F24-F76 HydrophobicContact CE2-CG 4.39Å; I35-F76 HydrophobicContact CD1-CD2 3.89Å; I35-F76 HydrophobicContact CD1-CE2 4.15Å; I71-F76 HydrophobicContact CG2-CB 4.04Å; D72-F76 WeakPolarHBondContact O-CB 3.39Å; D72-F76 PolarHBondContact O-N 3.32Å; F73-F76 HydrophobicContact CD2-CD1 4.48Å; F73-F76 HydrophobicContact CE2-CD1 4.45Å; E74-F76 VanDerWaalsContact C-N 3.33Å; F76-M79 HydrophobicContact CD2-CE 3.75Å; F76-M79 HydrophobicContact CE2-CE 3.87Å; F76-M79 WeakPolarHBondContact O-CB 3.45Å; F76-M79 PolarHBondContact O-N 3.01Å; F76-M80 HydrophobicContact CD1-CG 4.16Å; F76-M80 HydrophobicContact CD2-CE 4.33Å; F76-M80 HydrophobicContact CE1-CE 3.93Å; F76-M80 HydrophobicContact CE1-CG 3.86Å; F76-M80 HydrophobicContact CE2-CE 3.43Å; F76-M80 VanDerWaalsContact CE2-CE 3.43Å; F76-M80 HydrophobicContact CZ-CE 3.2Å; F76-M80 HydrophobicContact CZ-CG 4.12Å; F76-M80 HydrophobicContact CZ-SD 4.45Å; F76-M80 WeakPolarHBondContact O-CG 3.46Å; F76-M80 PolarHBondContact O-N 2.76Å
77L89.4Confident82.6Confident0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-65.1-39.5174.6-68.7-177.8000111.8A8 R9 L12 I17 F20 F73 E74 E75 M79 M80 V81A8-L77 HydrophobicContact CB-CB 4.5Å; R9-L77 HydrophobicContact CG-CD1 3.87Å; L12-L77 HydrophobicContact CD1-CB 4.4Å; L12-L77 HydrophobicContact CD1-CD2 3.78Å; L12-L77 HydrophobicContact CD1-CG 4.49Å; I17-L77 HydrophobicContact CG2-CD1 4.37Å; F20-L77 HydrophobicContact CB-CD2 3.84Å; F20-L77 HydrophobicContact CD2-CD2 3.8Å; F20-L77 HydrophobicContact CG-CD2 4.26Å; F73-L77 HydrophobicContact CD1-CD1 4.36Å; F73-L77 HydrophobicContact CE1-CD1 3.8Å; F73-L77 HydrophobicContact CE1-CD2 4.45Å; F73-L77 HydrophobicContact CE1-CG 4.16Å; F73-L77 HydrophobicContact CE2-CD2 4.09Å; F73-L77 HydrophobicContact CE2-CG 4.28Å; F73-L77 HydrophobicContact CZ-CD1 4.02Å; F73-L77 HydrophobicContact CZ-CD2 3.83Å; F73-L77 HydrophobicContact CZ-CG 3.99Å; F73-L77 WeakPolarHBondContact O-CG 3.47Å; F73-L77 PolarHBondContact O-N 3.25Å; E74-L77 PolarHBondContact O-N 2.95Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.04Å; L77-M79 VanDerWaalsContact C-N 3.33Å; L77-M80 PolarHBondContact O-N 3.12Å; L77-V81 WeakPolarHBondContact O-CB 3.45Å; L77-V81 VanDerWaalsContact O-CG2 3.32Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 2.83Å
78V87.4Confident81Confident11 Ų1143.6 Ų43.67%0.06723%0.234CC..Hα-helixtrans-59.9-46.6174.6174.20000110.2Q4 Q5 A8 E74 E75 V81 R82Q4-V78 HydrophobicContact CB-CG1 4.39Å; Q4-V78 HydrophobicContact CB-CG2 4.26Å; Q5-V78 HydrophobicContact CB-CG2 4.35Å; Q5-V78 HydrophobicContact CG-CG2 3.85Å; A8-V78 HydrophobicContact CB-CB 4.48Å; A8-V78 HydrophobicContact CB-CG2 3.9Å; E74-V78 WeakPolarHBondContact O-CG2 3.39Å; E74-V78 PolarHBondContact O-N 3.05Å; E75-V78 WeakPolarHBondContact O-CB 3.48Å; E75-V78 PolarHBondContact O-N 3.14Å; V78-V81 PolarHBondContact O-N 3.4Å; V78-R82 WeakPolarHBondContact O-CB 3.35Å; V78-R82 WeakPolarHBondContact O-CG 3.27Å; V78-R82 PolarHBondContact O-N 2.86Å
79M85.1Confident79.2Confident40 Ų4049 Ų4920%0.19725%0.249CC..Hα-helixtrans-58-49.1176.1-170.3-175.170.900111.6I59 V63 E75 F76 L77 V81 R82 Q83I59-M79 HydrophobicContact CG2-SD 4.25Å; V63-M79 HydrophobicContact CG1-CB 3.94Å; V63-M79 HydrophobicContact CG1-CG 4.01Å; V63-M79 HydrophobicContact CG1-SD 4.45Å; E75-M79 PolarHBondContact O-N 2.95Å; F76-M79 HydrophobicContact CD2-CE 3.75Å; F76-M79 HydrophobicContact CE2-CE 3.87Å; F76-M79 WeakPolarHBondContact O-CB 3.45Å; F76-M79 PolarHBondContact O-N 3.01Å; L77-M79 VanDerWaalsContact C-N 3.33Å; M79-V81 PolarHBondContact O-N 2.84Å; M79-R82 PolarHBondContact O-N 3.41Å; M79-Q83 PolarHBondContact O-N 3.08Å
80M83.5Confident77.7Confident44 Ų4448.8 Ų48.822%0.21725%0.248CC..Hα-helixtrans-63.4-40.8179.8-72.2-61.7167.400112.3F20 F76 L77 Q83 M84F20-M80 HydrophobicContact CD1-CG 4.13Å; F20-M80 HydrophobicContact CD2-CB 4.29Å; F20-M80 HydrophobicContact CE1-CB 4.24Å; F20-M80 HydrophobicContact CE1-CG 4.06Å; F20-M80 HydrophobicContact CE1-SD 4.13Å; F20-M80 HydrophobicContact CE2-CB 3.89Å; F20-M80 HydrophobicContact CE2-CG 4.44Å; F20-M80 HydrophobicContact CG-CG 4.4Å; F20-M80 HydrophobicContact CZ-CB 3.88Å; F20-M80 HydrophobicContact CZ-CG 4.22Å; F76-M80 HydrophobicContact CD1-CG 4.16Å; F76-M80 HydrophobicContact CD2-CE 4.33Å; F76-M80 HydrophobicContact CE1-CE 3.93Å; F76-M80 HydrophobicContact CE1-CG 3.86Å; F76-M80 HydrophobicContact CE2-CE 3.43Å; F76-M80 VanDerWaalsContact CE2-CE 3.43Å; F76-M80 HydrophobicContact CZ-CE 3.2Å; F76-M80 HydrophobicContact CZ-CG 4.12Å; F76-M80 HydrophobicContact CZ-SD 4.45Å; F76-M80 WeakPolarHBondContact O-CG 3.46Å; F76-M80 PolarHBondContact O-N 2.76Å; L77-M80 PolarHBondContact O-N 3.12Å; M80-Q83 PolarHBondContact O-N 2.92Å; M80-M84 WeakPolarHBondContact O-CB 3.31Å; M80-M84 WeakPolarHBondContact O-CG 3.39Å; M80-M84 PolarHBondContact O-N 3.49Å
81V82.7Confident76.3Confident4 Ų452.3 Ų52.32%0.02426%0.26CS..Hα-helixtrans-68-37.6176.8171.50000111.5A8 Y11 L12 L77 V78 M79 K85A8-V81 HydrophobicContact CB-CB 4.15Å; A8-V81 HydrophobicContact CB-CG2 3.89Å; Y11-V81 HydrophobicContact CD1-CG1 3.82Å; Y11-V81 HydrophobicContact CD1-CG2 4.1Å; Y11-V81 HydrophobicContact CE1-CG1 4.43Å; Y11-V81 HydrophobicContact CG-CG1 4.08Å; L12-V81 HydrophobicContact CD1-CG2 3.67Å; L12-V81 HydrophobicContact CD2-CG2 3.77Å; L12-V81 HydrophobicContact CG-CG2 3.63Å; L77-V81 WeakPolarHBondContact O-CB 3.45Å; L77-V81 VanDerWaalsContact O-CG2 3.32Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 2.83Å; V78-V81 PolarHBondContact O-N 3.4Å; M79-V81 PolarHBondContact O-N 2.84Å; V81-K85 HydrophobicContact CG1-CD 4.05Å; V81-K85 HydrophobicContact CG1-CG 4.41Å; V81-K85 WeakPolarHBondContact O-CB 3.38Å; V81-K85 VanDerWaalsContact O-CG 3.27Å; V81-K85 WeakPolarHBondContact O-CG 3.38Å; V81-K85 PolarHBondContact O-N 3.44Å
82R79.1Confident75.1Confident77 Ų7754.9 Ų54.929%0.29128%0.278SS..Hα-helixtrans-60.9-51.3172.9-77.8-176.9178.1179.56.5110.5E62 V78 M79 M84 K85 E86E62-R82 IonicContact OE1-NH1 2.63Å; E62-R82 PolarHBondContact OE1-NH1 3.33Å; V78-R82 WeakPolarHBondContact O-CB 3.35Å; V78-R82 WeakPolarHBondContact O-CG 3.27Å; V78-R82 PolarHBondContact O-N 2.86Å; M79-R82 PolarHBondContact O-N 3.41Å; R82-M84 PolarHBondContact O-N 3.47Å; R82-K85 CarbonylContact O-C 3.55Å; R82-K85 PolarHBondContact O-N 3.36Å; R82-K85 VanDerWaalsContact O-N 3.08Å; R82-E86 WeakPolarHBondContact O-CG 3.37Å; R82-E86 PolarHBondContact O-N 3.39Å
83Q72.1Confident74Confident91 Ų9159.2 Ų59.243%0.42530%0.297SS..Hα-helixtrans-59.3-45.1177.8-169.765.15100111.7M79 M80 K85 E86 D87M79-Q83 PolarHBondContact O-N 3.08Å; M80-Q83 PolarHBondContact O-N 2.92Å; Q83-K85 VanDerWaalsContact C-N 3.3Å; Q83-K85 PolarHBondContact O-N 3.33Å; Q83-E86 PolarHBondContact O-N 3Å; Q83-E86 VanDerWaalsContact O-N 3.12Å; Q83-D87 PolarHBondContact NE2-OD1 3.07Å; Q83-D87 WeakPolarHBondContact O-CB 3.2Å; Q83-D87 VanDerWaalsContact O-CG 3.23Å; Q83-D87 PolarHBondContact O-N 3.22Å
84M70.1Confident73.1Confident63 Ų6365.4 Ų65.431%0.3133%0.327SS..Hα-helixtrans-61.7-37.5176.4-72.8178.882.400112.3L12 M16 F20 M80 R82 A88L12-M84 HydrophobicContact CD2-SD 4.09Å; M16-M84 HydrophobicContact CE-CE 3.91Å; M16-M84 HydrophobicContact SD-CE 3.69Å; M16-M84 HydrophobicContact SD-SD 3.98Å; F20-M84 HydrophobicContact CE2-SD 4.14Å; F20-M84 HydrophobicContact CZ-SD 3.82Å; M80-M84 WeakPolarHBondContact O-CB 3.31Å; M80-M84 WeakPolarHBondContact O-CG 3.39Å; M80-M84 PolarHBondContact O-N 3.49Å; R82-M84 PolarHBondContact O-N 3.47Å; M84-A88 WeakPolarHBondContact O-CB 3.39Å; M84-A88 PolarHBondContact O-N 3.39Å
85K67.6Low72.1Confident68 Ų6868.2 Ų68.230%0.29634%0.34SS..Hα-helixtrans-71.5-31175.1-76175.5-179.51740112E7 V81 R82 Q83 K89E7-K85 IonicContact OE1-NZ 2.78Å; E7-K85 PolarHBondContact OE1-NZ 3.17Å; V81-K85 HydrophobicContact CG1-CD 4.05Å; V81-K85 HydrophobicContact CG1-CG 4.41Å; V81-K85 WeakPolarHBondContact O-CB 3.38Å; V81-K85 VanDerWaalsContact O-CG 3.27Å; V81-K85 WeakPolarHBondContact O-CG 3.38Å; V81-K85 PolarHBondContact O-N 3.44Å; R82-K85 CarbonylContact O-C 3.55Å; R82-K85 PolarHBondContact O-N 3.36Å; R82-K85 VanDerWaalsContact O-N 3.08Å; Q83-K85 VanDerWaalsContact C-N 3.3Å; Q83-K85 PolarHBondContact O-N 3.33Å; K85-K89 VanDerWaalsContact O-CB 3.22Å; K85-K89 WeakPolarHBondContact O-CB 3.35Å; K85-K89 VanDerWaalsContact O-CG 3.24Å; K85-K89 WeakPolarHBondContact O-CG 3.43Å; K85-K89 PolarHBondContact O-N 2.97Å
86E62.7Low71.6Confident111 Ų11168.6 Ų68.652%0.51934%0.342SS..Hα-helixtrans-73.8-47.7175-73.9-178.316900111.3R82 Q83 A88 K89R82-E86 WeakPolarHBondContact O-CG 3.37Å; R82-E86 PolarHBondContact O-N 3.39Å; Q83-E86 PolarHBondContact O-N 3Å; Q83-E86 VanDerWaalsContact O-N 3.12Å; E86-A88 VanDerWaalsContact C-N 3.31Å; E86-A88 PolarHBondContact O-N 2.92Å; E86-K89 WeakPolarHBondContact O-CB 3.49Å; E86-K89 PolarHBondContact O-N 3.13Å
87D56.9Low71.2Confident112 Ų11269.5 Ų69.560%0.59935%0.349SS*.Hα-helixtrans-61-41.5173.8-66.3-12.7000110.7Q83 K89 G90Q83-D87 PolarHBondContact NE2-OD1 3.07Å; Q83-D87 WeakPolarHBondContact O-CB 3.2Å; Q83-D87 VanDerWaalsContact O-CG 3.23Å; Q83-D87 PolarHBondContact O-N 3.22Å; D87-K89 VanDerWaalsContact C-N 3.3Å; D87-K89 PolarHBondContact O-N 3.3Å; D87-G90 PolarHBondContact O-N 3.35Å
88A52.8Low70.8Confident50 Ų5074.9 Ų74.941%0.41337%0.374SS..THydrogen-bonded Turntrans-73.8-17.9174.500000113.2M84 E86 G90 Q160M84-A88 WeakPolarHBondContact O-CB 3.39Å; M84-A88 PolarHBondContact O-N 3.39Å; E86-A88 VanDerWaalsContact C-N 3.31Å; E86-A88 PolarHBondContact O-N 2.92Å; A88-G90 PolarHBondContact O-N 3.49Å; A88-Q160 PolarHBondContact O-NE2 3.49Å; A88-Q160 PolarHBondContact O-OE1 3.17Å
89K51.2Low70.5Confident173 Ų17375.6 Ų75.675%0.75238%0.379SS*.THydrogen-bonded Turntrans-72.7-1.4174.6-99177.2176-177.50112.9K85 E86 D87K85-K89 VanDerWaalsContact O-CB 3.22Å; K85-K89 WeakPolarHBondContact O-CB 3.35Å; K85-K89 VanDerWaalsContact O-CG 3.24Å; K85-K89 WeakPolarHBondContact O-CG 3.43Å; K85-K89 PolarHBondContact O-N 2.97Å; E86-K89 WeakPolarHBondContact O-CB 3.49Å; E86-K89 PolarHBondContact O-N 3.13Å; D87-K89 VanDerWaalsContact C-N 3.3Å; D87-K89 PolarHBondContact O-N 3.3Å
90G55.3Low70.5Confident32 Ų3274.3 Ų74.333%0.3337%0.373SS..  trans66.5-179.4-173.500000110.3D87 A88 S92D87-G90 PolarHBondContact O-N 3.35Å; A88-G90 PolarHBondContact O-N 3.49Å; G90-S92 PolarHBondContact O-N 2.87Å
91K61.4Low70.6Confident107 Ų10779.5 Ų79.547%0.46539%0.39SS..SBendtrans-55.5135.1174.9-70.1179.1176.3-178.10109.4E95 L96K91-E95 HydrophobicContact CB-CB 4.08Å; K91-L96 HydrophobicContact CB-CD1 4.28Å; K91-L96 HydrophobicContact CB-CD2 3.73Å; K91-L96 HydrophobicContact CB-CG 3.66Å; K91-L96 HydrophobicContact CD-CD2 3.94Å; K91-L96 HydrophobicContact CG-CD2 4.45Å; K91-L96 VanDerWaalsContact O-CD1 3.32Å; K91-L96 WeakPolarHBondContact O-CD1 3.3Å
92S65.9Low70.6Confident54 Ų5483.9 Ų83.938%0.37841%0.412SS..  trans-55.8154.1175.3610000110.8G90 E94 E95 L96G90-S92 PolarHBondContact O-N 2.87Å; S92-E94 PolarHBondContact O-N 2.78Å; S92-E94 VanDerWaalsContact O-N 3.11Å; S92-E95 PolarHBondContact N-OE2 2.73Å; S92-E95 PolarHBondContact O-N 3.11Å; S92-E95 WeakPolarHBondContact OG-CB 3.16Å; S92-E95 VanDerWaalsContact OG-CG 3.23Å; S92-E95 WeakPolarHBondContact OG-CG 3.48Å; S92-E95 PolarHBondContact OG-N 2.85Å; S92-E95 VanDerWaalsContact OG-N 3.14Å; S92-E95 PolarHBondContact OG-OE2 3.3Å; S92-L96 WeakPolarHBondContact O-CG 3.46Å; S92-L96 PolarHBondContact O-N 3.39Å
93E68.7Low70.9Confident138 Ų13881.7 Ų81.765%0.64541%0.405SS*.Hα-helixtrans-54.5-32174.1-170.8-177.9167.200111.2A97 F149E93-A97 WeakPolarHBondContact O-CB 3.45Å; E93-A97 PolarHBondContact O-N 2.71Å; E93-F149 HydrophobicContact CG-CE1 4.07Å; E93-F149 HydrophobicContact CG-CZ 4Å
94E71.8Confident71.7Confident157 Ų15778.1 Ų78.173%0.73439%0.389SS*.Hα-helixtrans-66.1-47.1174.8-64.9-173.6176.300112.5S92 L96 A97 E98S92-E94 PolarHBondContact O-N 2.78Å; S92-E94 VanDerWaalsContact O-N 3.11Å; E94-L96 VanDerWaalsContact C-N 3.35Å; E94-A97 PolarHBondContact O-N 3.07Å; E94-E98 PolarHBondContact O-N 3.26Å
95E70.8Confident72.4Confident98 Ų9882.4 Ų82.446%0.45840%0.401SS..Hα-helixtrans-66.2-37.2175.5-73.7170.2123.500112K91 S92 E98 C99K91-E95 HydrophobicContact CB-CB 4.08Å; S92-E95 PolarHBondContact N-OE2 2.73Å; S92-E95 PolarHBondContact O-N 3.11Å; S92-E95 WeakPolarHBondContact OG-CB 3.16Å; S92-E95 VanDerWaalsContact OG-CG 3.23Å; S92-E95 WeakPolarHBondContact OG-CG 3.48Å; S92-E95 PolarHBondContact OG-N 2.85Å; S92-E95 VanDerWaalsContact OG-N 3.14Å; S92-E95 PolarHBondContact OG-OE2 3.3Å; E95-E98 PolarHBondContact O-N 2.94Å; E95-C99 WeakPolarHBondContact O-CB 3.38Å; E95-C99 PolarHBondContact O-N 3.1Å; E95-C99 PolarHBondContact O-SG 3.34Å
96L79.2Confident73.4Confident10 Ų1083 Ų835%0.05241%0.408CS..Hα-helixtrans-68.7-37.8174.7-69.9173.9000110.9K91 S92 E94 C99 F100 F152 L153 M156K91-L96 HydrophobicContact CB-CD1 4.28Å; K91-L96 HydrophobicContact CB-CD2 3.73Å; K91-L96 HydrophobicContact CB-CG 3.66Å; K91-L96 HydrophobicContact CD-CD2 3.94Å; K91-L96 HydrophobicContact CG-CD2 4.45Å; K91-L96 VanDerWaalsContact O-CD1 3.32Å; K91-L96 WeakPolarHBondContact O-CD1 3.3Å; S92-L96 WeakPolarHBondContact O-CG 3.46Å; S92-L96 PolarHBondContact O-N 3.39Å; E94-L96 VanDerWaalsContact C-N 3.35Å; L96-C99 PolarHBondContact O-N 2.78Å; L96-F100 WeakPolarHBondContact O-CB 3.48Å; L96-F100 PolarHBondContact O-N 2.86Å; L96-F152 HydrophobicContact CB-CE1 4.28Å; L96-F152 HydrophobicContact CD2-CE1 3.93Å; L96-F152 WeakPolarHBondContact O-CE1 3.24Å; L96-L153 HydrophobicContact CB-CD2 3.67Å; L96-L153 HydrophobicContact CD1-CD2 3.32Å; L96-L153 HydrophobicContact CG-CD2 4.09Å; L96-M156 HydrophobicContact CD1-CB 4.45Å; L96-M156 HydrophobicContact CD2-CB 3.81Å; L96-M156 HydrophobicContact CD2-CE 4.15Å; L96-M156 HydrophobicContact CD2-CG 3.71Å; L96-M156 HydrophobicContact CD2-SD 4.43Å
97A81.1Confident74.6Confident20 Ų2081.7 Ų81.717%0.16542%0.416CS..Hα-helixtrans-66.1-37.5172.800000111.9E93 E94 F100 R101 F149E93-A97 WeakPolarHBondContact O-CB 3.45Å; E93-A97 PolarHBondContact O-N 2.71Å; E94-A97 PolarHBondContact O-N 3.07Å; A97-F100 PolarHBondContact O-N 3.11Å; A97-R101 WeakPolarHBondContact O-CB 3.48Å; A97-R101 VanDerWaalsContact O-CG 3.3Å; A97-R101 WeakPolarHBondContact O-CG 3.48Å; A97-R101 PolarHBondContact O-N 3.14Å; A97-F149 HydrophobicContact CB-CE2 3.95Å; A97-F149 HydrophobicContact CB-CZ 3.86Å
98E81.1Confident76.3Confident113 Ų11379.5 Ų79.553%0.52840%0.404SS..Hα-helixtrans-64.7-45.4171.5-80-173175.900112.1E94 E95 R101 I102E94-E98 PolarHBondContact O-N 3.26Å; E95-E98 PolarHBondContact O-N 2.94Å; E98-R101 PolarHBondContact O-N 3.35Å; E98-R101 IonicContact OE1-NH2 2.57Å; E98-I102 VanDerWaalsContact O-CG1 3.31Å; E98-I102 WeakPolarHBondContact O-CG1 3.49Å; E98-I102 PolarHBondContact O-N 3.17Å; E98-I102 VanDerWaalsContact O-N 3.1Å
99C81.8Confident78Confident25 Ų2578.7 Ų78.717%0.16940%0.401CS..Hα-helixtrans-57.6-51173.2-680000110.1E95 L96 R101 I102 F103 F152E95-C99 WeakPolarHBondContact O-CB 3.38Å; E95-C99 PolarHBondContact O-N 3.1Å; E95-C99 PolarHBondContact O-SG 3.34Å; L96-C99 PolarHBondContact O-N 2.78Å; C99-R101 VanDerWaalsContact C-N 3.31Å; C99-R101 PolarHBondContact O-N 3.42Å; C99-I102 WeakPolarHBondContact O-CA 3.32Å; C99-I102 WeakPolarHBondContact O-CB 3.22Å; C99-I102 PolarHBondContact O-N 2.94Å; C99-F103 WeakPolarHBondContact O-CD2 3.47Å; C99-F103 PolarHBondContact O-N 3Å; C99-F103 VanDerWaalsContact O-N 3.11Å; C99-F152 HydrophobicContact CB-CE1 4.12Å; C99-F152 HydrophobicContact CB-CZ 3.91Å
100F84.6Confident80Confident13 Ų1374.9 Ų74.96%0.05738%0.383CS..Hα-helixtrans-56.4-44.9-180-168.9-87.9000111.8L96 A97 I102 F103 D104 G109 I111 F149 F152L96-F100 WeakPolarHBondContact O-CB 3.48Å; L96-F100 PolarHBondContact O-N 2.86Å; A97-F100 PolarHBondContact O-N 3.11Å; F100-I102 PolarHBondContact O-N 3.49Å; F100-F103 PolarHBondContact O-N 2.86Å; F100-F103 VanDerWaalsContact O-N 3.07Å; F100-D104 HydrophobicContact CD1-CB 4.24Å; F100-D104 HydrophobicContact CE1-CB 3.98Å; F100-D104 WeakPolarHBondContact O-CB 3.29Å; F100-D104 PolarHBondContact O-N 2.88Å; F100-G109 VanDerWaalsContact CZ-O 3.29Å; F100-G109 WeakPolarHBondContact CZ-O 3.07Å; F100-I111 HydrophobicContact CD2-CD1 3.51Å; F100-I111 HydrophobicContact CD2-CG1 4.04Å; F100-I111 HydrophobicContact CE2-CD1 3.53Å; F100-I111 HydrophobicContact CE2-CG1 3.65Å; F100-I111 HydrophobicContact CG-CD1 4.31Å; F100-I111 HydrophobicContact CZ-CD1 4.33Å; F100-I111 HydrophobicContact CZ-CG1 3.97Å; F100-F149 HydrophobicContact CB-CD2 3.82Å; F100-F149 HydrophobicContact CB-CE2 4.05Å; F100-F149 HydrophobicContact CD1-CD2 4.26Å; F100-F149 HydrophobicContact CD2-CB 4.47Å; F100-F149 AromaticContact CD2-CD2 3.88Å; F100-F149 HydrophobicContact CD2-CD2 3.88Å; F100-F149 HydrophobicContact CE2-CB 4.32Å; F100-F149 AromaticContact CG-CD2 3.71Å; F100-F149 HydrophobicContact CG-CD2 3.71Å; F100-F149 HydrophobicContact CG-CE2 4.44Å; F100-F149 HydrophobicContact CZ-CB 4.41Å; F100-F152 HydrophobicContact CB-CD1 4.28Å; F100-F152 HydrophobicContact CB-CE1 4.34Å; F100-F152 HydrophobicContact CD2-CB 3.75Å; F100-F152 AromaticContact CD2-CD1 3.98Å; F100-F152 HydrophobicContact CD2-CD1 3.98Å; F100-F152 HydrophobicContact CD2-CD2 4.35Å; F100-F152 AromaticContact CD2-CG 3.78Å; F100-F152 HydrophobicContact CD2-CG 3.78Å; F100-F152 HydrophobicContact CE2-CB 4.02Å; F100-F152 HydrophobicContact CE2-CG 4.47Å
101R84.8Confident81.6Confident154 Ų15473.4 Ų73.458%0.58137%0.367SS*.Hα-helixtrans-63.5-25.2175.5-75.4-169.8-61.3-98.710.2114.4A97 E98 C99A97-R101 WeakPolarHBondContact O-CB 3.48Å; A97-R101 VanDerWaalsContact O-CG 3.3Å; A97-R101 WeakPolarHBondContact O-CG 3.48Å; A97-R101 PolarHBondContact O-N 3.14Å; E98-R101 PolarHBondContact O-N 3.35Å; E98-R101 IonicContact OE1-NH2 2.57Å; C99-R101 VanDerWaalsContact C-N 3.31Å; C99-R101 PolarHBondContact O-N 3.42Å
102I83.9Confident83.1Confident96 Ų9669.7 Ų69.749%0.49235%0.352SS..Hα-helixtrans-75.5-36.6174.7-69.9165.1000110E98 C99 F100 I119E98-I102 VanDerWaalsContact O-CG1 3.31Å; E98-I102 WeakPolarHBondContact O-CG1 3.49Å; E98-I102 PolarHBondContact O-N 3.17Å; E98-I102 VanDerWaalsContact O-N 3.1Å; C99-I102 WeakPolarHBondContact O-CA 3.32Å; C99-I102 WeakPolarHBondContact O-CB 3.22Å; C99-I102 PolarHBondContact O-N 2.94Å; F100-I102 PolarHBondContact O-N 3.49Å; I102-I119 HydrophobicContact CG2-CD1 3.95Å; I102-I119 WeakPolarHBondContact O-CD1 3Å
103F85.2Confident84.3Confident31 Ų3169.1 Ų69.114%0.13635%0.348CS..Hα-helixtrans-76.3-49-179.7-75.1-123.4000111.4C99 F100 R105 I111 E115 L116 I119C99-F103 WeakPolarHBondContact O-CD2 3.47Å; C99-F103 PolarHBondContact O-N 3Å; C99-F103 VanDerWaalsContact O-N 3.11Å; F100-F103 PolarHBondContact O-N 2.86Å; F100-F103 VanDerWaalsContact O-N 3.07Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.35Å; F103-I111 HydrophobicContact CB-CD1 3.5Å; F103-I111 HydrophobicContact CB-CG1 3.75Å; F103-I111 HydrophobicContact CB-CG2 4.27Å; F103-I111 HydrophobicContact CD1-CD1 4.1Å; F103-I111 HydrophobicContact CD1-CG2 4.41Å; F103-I111 HydrophobicContact CG-CD1 4.05Å; F103-E115 WeakPolarHBondContact O-CB 3.42Å; F103-L116 HydrophobicContact CD1-CD1 3.84Å; F103-L116 HydrophobicContact CE1-CD1 3.7Å; F103-I119 HydrophobicContact CB-CG1 4.22Å; F103-I119 HydrophobicContact CD1-CB 4.15Å; F103-I119 HydrophobicContact CD1-CG1 3.94Å; F103-I119 HydrophobicContact CD1-CG2 4.27Å; F103-I119 HydrophobicContact CD2-CG1 4.03Å; F103-I119 HydrophobicContact CD2-CG2 4.13Å; F103-I119 HydrophobicContact CE1-CB 4.1Å; F103-I119 HydrophobicContact CE1-CG1 4.36Å; F103-I119 HydrophobicContact CE1-CG2 3.83Å; F103-I119 HydrophobicContact CE2-CG1 4.49Å; F103-I119 HydrophobicContact CE2-CG2 3.74Å; F103-I119 HydrophobicContact CG-CB 4.42Å; F103-I119 HydrophobicContact CG-CG1 3.79Å; F103-I119 HydrophobicContact CG-CG2 4.43Å; F103-I119 HydrophobicContact CZ-CB 4.34Å; F103-I119 HydrophobicContact CZ-CG2 3.58Å
104D88.9Confident85.3Confident15 Ų1568.7 Ų68.78%0.0835%0.345CS..  trans-71.483.9175.4176.88.2000110.2F100 N106 A107 D108 G109F100-D104 HydrophobicContact CD1-CB 4.24Å; F100-D104 HydrophobicContact CE1-CB 3.98Å; F100-D104 WeakPolarHBondContact O-CB 3.29Å; F100-D104 PolarHBondContact O-N 2.88Å; D104-N106 VanDerWaalsContact C-N 3.32Å; D104-N106 PolarHBondContact OD1-OD1 3.07Å; D104-A107 WeakPolarHBondContact OD1-CA 3.32Å; D104-A107 PolarHBondContact OD1-N 3.37Å; D104-A107 WeakPolarHBondContact OD2-CA 3.12Å; D104-D108 PolarHBondContact OD1-N 3.03Å; D104-D108 VanDerWaalsContact OD1-N 3.09Å; D104-D108 PolarHBondContact OD2-N 3.41Å; D104-G109 VanDerWaalsContact OD2-CA 3.27Å; D104-G109 WeakPolarHBondContact OD2-CA 3.45Å; D104-G109 PolarHBondContact OD2-N 3.44Å
105R84.6Confident86.2Confident153 Ų15361.7 Ų61.758%0.57731%0.313SS*.SBendtrans-70.4-34.3-175.8-74-65.3-165.7-176.1-4.7111.6F103 A107 E115F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.35Å; R105-A107 VanDerWaalsContact C-N 3.33Å; R105-E115 HydrophobicContact CB-CG 4.35Å; R105-E115 PolarHBondContact N-OE1 3.16Å
106N89.4Confident87Confident81 Ų8157.2 Ų57.243%0.43329%0.292SS..SBendtrans-86.2-9.6-176.373.242.8000112.5D104 D108 E115D104-N106 VanDerWaalsContact C-N 3.32Å; D104-N106 PolarHBondContact OD1-OD1 3.07Å; N106-D108 VanDerWaalsContact C-N 3.29Å; N106-D108 PolarHBondContact O-N 2.84Å; N106-D108 WeakPolarHBondContact OD1-CA 2.99Å; N106-D108 WeakPolarHBondContact OD1-CB 3.43Å; N106-D108 PolarHBondContact OD1-N 3.41Å; N106-D108 PolarHBondContact OD1-OD1 2.88Å; N106-E115 VanDerWaalsContact CG-OE1 3.23Å; N106-E115 PolarHBondContact N-OE1 2.91Å; N106-E115 VanDerWaalsContact N-OE1 3.16Å; N106-E115 PolarHBondContact ND2-OE1 3.44Å
107A87.6Confident87.5Confident84 Ų8457.1 Ų57.169%0.69429%0.293SS*.  trans58.834.1-178.500000113.5D104 R105 G109D104-A107 WeakPolarHBondContact OD1-CA 3.32Å; D104-A107 PolarHBondContact OD1-N 3.37Å; D104-A107 WeakPolarHBondContact OD2-CA 3.12Å; R105-A107 VanDerWaalsContact C-N 3.33Å; A107-G109 VanDerWaalsContact C-N 3.31Å
108D91.4Very high87.8Confident65 Ų6561.4 Ų61.435%0.34831%0.309SS..SBendtrans-85-5.9177.2801.5000113.2D104 N106 Y110 R146D104-D108 PolarHBondContact OD1-N 3.03Å; D104-D108 VanDerWaalsContact OD1-N 3.09Å; D104-D108 PolarHBondContact OD2-N 3.41Å; N106-D108 VanDerWaalsContact C-N 3.29Å; N106-D108 PolarHBondContact O-N 2.84Å; N106-D108 WeakPolarHBondContact OD1-CA 2.99Å; N106-D108 WeakPolarHBondContact OD1-CB 3.43Å; N106-D108 PolarHBondContact OD1-N 3.41Å; N106-D108 PolarHBondContact OD1-OD1 2.88Å; D108-Y110 WeakPolarHBondContact O-CD2 3.27Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.33Å; D108-Y110 PolarHBondContact OD1-N 2.79Å; D108-R146 IonicContact OD2-CZ 2.61Å; D108-R146 IonicContact OD2-NH1 3.25Å; D108-R146 PolarHBondContact OD2-NH1 2.85Å
109G89.4Confident87.9Confident34 Ų3457 Ų5735%0.35129%0.289SS..SBendtrans89.89.1179.600000113.9F100 D104 A107F100-G109 VanDerWaalsContact CZ-O 3.29Å; F100-G109 WeakPolarHBondContact CZ-O 3.07Å; D104-G109 VanDerWaalsContact OD2-CA 3.27Å; D104-G109 WeakPolarHBondContact OD2-CA 3.45Å; D104-G109 PolarHBondContact OD2-N 3.44Å; A107-G109 VanDerWaalsContact C-N 3.31Å
110Y92.4Very high87.9Confident92 Ų9258.2 Ų58.236%0.36129%0.292SS..EExtended strand (participates in β ladder)trans-132.9154.8-179.7-57.8-89.1000110.5D108 R146 I147 D148D108-Y110 WeakPolarHBondContact O-CD2 3.27Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.33Å; D108-Y110 PolarHBondContact OD1-N 2.79Å; Y110-R146 HydrophobicContact CD1-CB 4.27Å; Y110-R146 HydrophobicContact CG-CB 4.46Å; Y110-I147 WeakPolarHBondContact CA-O 3.29Å; Y110-D148 HydrophobicContact CD1-CB 3.93Å; Y110-D148 HydrophobicContact CE1-CB 3.89Å
111I90.3Very high87.8Confident1 Ų164.5 Ų64.51%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-106.4116.7169.2-58.6167.5000107.7F100 F103 E115 L116 R146 I147 F152F100-I111 HydrophobicContact CD2-CD1 3.51Å; F100-I111 HydrophobicContact CD2-CG1 4.04Å; F100-I111 HydrophobicContact CE2-CD1 3.53Å; F100-I111 HydrophobicContact CE2-CG1 3.65Å; F100-I111 HydrophobicContact CG-CD1 4.31Å; F100-I111 HydrophobicContact CZ-CD1 4.33Å; F100-I111 HydrophobicContact CZ-CG1 3.97Å; F103-I111 HydrophobicContact CB-CD1 3.5Å; F103-I111 HydrophobicContact CB-CG1 3.75Å; F103-I111 HydrophobicContact CB-CG2 4.27Å; F103-I111 HydrophobicContact CD1-CD1 4.1Å; F103-I111 HydrophobicContact CD1-CG2 4.41Å; F103-I111 HydrophobicContact CG-CD1 4.05Å; I111-E115 WeakPolarHBondContact CA-OE2 3.4Å; I111-E115 HydrophobicContact CG2-CB 4.2Å; I111-L116 HydrophobicContact CG2-CB 4.07Å; I111-L116 HydrophobicContact CG2-CD1 4.48Å; I111-R146 WeakPolarHBondContact O-CA 3.28Å; I111-I147 HydrophobicContact CB-CB 4.34Å; I111-I147 PolarHBondContact N-O 2.61Å; I111-I147 PolarHBondContact O-N 3.49Å; I111-F152 HydrophobicContact CD1-CD2 3.87Å; I111-F152 HydrophobicContact CD1-CE2 4.23Å; I111-F152 HydrophobicContact CD1-CG 4.47Å
112D91.9Very high87.5Confident29 Ų2960.8 Ų60.816%0.15532%0.318CS..  trans-8816517371.334.7000112.4E114 E115 L116D112-E114 PolarHBondContact O-N 2.74Å; D112-E114 WeakPolarHBondContact OD1-CA 3.34Å; D112-E114 WeakPolarHBondContact OD1-CB 3.5Å; D112-E114 PolarHBondContact OD1-N 3.38Å; D112-E114 VanDerWaalsContact OD1-N 3.13Å; D112-E115 PolarHBondContact N-OE2 2.82Å; D112-E115 PolarHBondContact O-N 3.14Å; D112-E115 WeakPolarHBondContact OD1-CB 3.48Å; D112-E115 WeakPolarHBondContact OD1-CG 3.37Å; D112-E115 PolarHBondContact OD1-N 3.09Å; D112-L116 PolarHBondContact O-N 3.04Å
113P91Very high87.1Confident43 Ų4360.1 Ų60.128%0.27932%0.321SS..Hα-helixtrans-57-35.1-179.8-2331.9000113.1A117 I132 M136P113-A117 VanDerWaalsContact O-CB 3.31Å; P113-A117 WeakPolarHBondContact O-CB 3.46Å; P113-A117 PolarHBondContact O-N 3.05Å; P113-I132 HydrophobicContact CB-CG2 3.88Å; P113-I132 WeakPolarHBondContact O-CG2 3.4Å; P113-M136 HydrophobicContact CB-CG 4.06Å; P113-M136 HydrophobicContact CB-SD 4.47Å; P113-M136 HydrophobicContact CG-CE 3.97Å; P113-M136 HydrophobicContact CG-CG 4.01Å; P113-M136 HydrophobicContact CG-SD 4.28Å
114E90.8Very high86.9Confident128 Ų12861.5 Ų61.560%0.59834%0.344SS*.Hα-helixtrans-67.4-45.5178.5-67.480.8-179.400111.7D112 A117 E118D112-E114 PolarHBondContact O-N 2.74Å; D112-E114 WeakPolarHBondContact OD1-CA 3.34Å; D112-E114 WeakPolarHBondContact OD1-CB 3.5Å; D112-E114 PolarHBondContact OD1-N 3.38Å; D112-E114 VanDerWaalsContact OD1-N 3.13Å; E114-A117 PolarHBondContact O-N 3.25Å; E114-E118 WeakPolarHBondContact O-CG 3.22Å; E114-E118 PolarHBondContact O-N 3.27Å
115E90.7Very high86.4Confident10 Ų1066.2 Ų66.25%0.04737%0.366CS..Hα-helixtrans-61.6-44.3175.1-77.7174.6150.100111.6F103 R105 N106 I111 D112 A117 E118 I119F103-E115 WeakPolarHBondContact O-CB 3.42Å; R105-E115 HydrophobicContact CB-CG 4.35Å; R105-E115 PolarHBondContact N-OE1 3.16Å; N106-E115 VanDerWaalsContact CG-OE1 3.23Å; N106-E115 PolarHBondContact N-OE1 2.91Å; N106-E115 VanDerWaalsContact N-OE1 3.16Å; N106-E115 PolarHBondContact ND2-OE1 3.44Å; I111-E115 WeakPolarHBondContact CA-OE2 3.4Å; I111-E115 HydrophobicContact CG2-CB 4.2Å; D112-E115 PolarHBondContact N-OE2 2.82Å; D112-E115 PolarHBondContact O-N 3.14Å; D112-E115 WeakPolarHBondContact OD1-CB 3.48Å; D112-E115 WeakPolarHBondContact OD1-CG 3.37Å; D112-E115 PolarHBondContact OD1-N 3.09Å; E115-A117 PolarHBondContact O-N 2.83Å; E115-E118 PolarHBondContact O-N 2.98Å; E115-I119 WeakPolarHBondContact O-CG1 3.39Å; E115-I119 PolarHBondContact O-N 3.36Å; E115-I119 VanDerWaalsContact O-N 3.16Å
116L87.8Confident86.3Confident4 Ų467.8 Ų67.82%0.02138%0.379CS..Hα-helixtrans-58.8-48.6174.6-170.962.8000110.8F103 I111 D112 E118 I119 F120 I132 L135 M136F103-L116 HydrophobicContact CD1-CD1 3.84Å; F103-L116 HydrophobicContact CE1-CD1 3.7Å; I111-L116 HydrophobicContact CG2-CB 4.07Å; I111-L116 HydrophobicContact CG2-CD1 4.48Å; D112-L116 PolarHBondContact O-N 3.04Å; L116-E118 VanDerWaalsContact C-N 3.33Å; L116-E118 PolarHBondContact O-N 2.82Å; L116-I119 PolarHBondContact O-N 2.9Å; L116-F120 HydrophobicContact CD1-CD2 4.2Å; L116-F120 HydrophobicContact CD1-CE2 3.69Å; L116-F120 HydrophobicContact CG-CD2 4.14Å; L116-F120 HydrophobicContact CG-CE2 3.91Å; L116-F120 VanDerWaalsContact O-CD2 3.28Å; L116-F120 WeakPolarHBondContact O-CD2 3.28Å; L116-F120 PolarHBondContact O-N 2.91Å; L116-I132 HydrophobicContact CD2-CD1 4.31Å; L116-I132 HydrophobicContact CG-CD1 4.12Å; L116-L135 HydrophobicContact CD2-CB 3.96Å; L116-L135 HydrophobicContact CD2-CD1 4.45Å; L116-M136 HydrophobicContact CB-SD 4.48Å; L116-M136 HydrophobicContact CD2-CG 4.13Å; L116-M136 HydrophobicContact CD2-SD 3.73Å
117A88.6Confident86Confident8 Ų864.9 Ų64.97%0.06637%0.365CS..Hα-helixtrans-61.9-38.7178.900000112.8P113 E114 E115 I119 R121 I132P113-A117 VanDerWaalsContact O-CB 3.31Å; P113-A117 WeakPolarHBondContact O-CB 3.46Å; P113-A117 PolarHBondContact O-N 3.05Å; E114-A117 PolarHBondContact O-N 3.25Å; E115-A117 PolarHBondContact O-N 2.83Å; A117-I119 VanDerWaalsContact C-N 3.35Å; A117-R121 WeakPolarHBondContact O-CB 3.35Å; A117-R121 WeakPolarHBondContact O-CG 3.36Å; A117-R121 PolarHBondContact O-N 3.16Å; A117-I132 HydrophobicContact CB-CD1 3.97Å; A117-I132 HydrophobicContact CB-CG1 3.9Å
118E86.7Confident86.1Confident110 Ų11064.3 Ų64.351%0.51435%0.353SS..Hα-helixtrans-63-39.7177.2-78.6-165.4171.400112.3E114 E115 L116 R121 A122E114-E118 WeakPolarHBondContact O-CG 3.22Å; E114-E118 PolarHBondContact O-N 3.27Å; E115-E118 PolarHBondContact O-N 2.98Å; L116-E118 VanDerWaalsContact C-N 3.33Å; L116-E118 PolarHBondContact O-N 2.82Å; E118-R121 PolarHBondContact O-N 3.12Å; E118-A122 VanDerWaalsContact O-CB 3.29Å; E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 2.98Å
119I83.2Confident86Confident22 Ų2266.6 Ų66.611%0.11337%0.365CS..Hα-helixtrans-67.2-46.1178.7-65-54.1000112.1I102 F103 E115 L116 A117 R121 A122 S123I102-I119 HydrophobicContact CG2-CD1 3.95Å; I102-I119 WeakPolarHBondContact O-CD1 3Å; F103-I119 HydrophobicContact CB-CG1 4.22Å; F103-I119 HydrophobicContact CD1-CB 4.15Å; F103-I119 HydrophobicContact CD1-CG1 3.94Å; F103-I119 HydrophobicContact CD1-CG2 4.27Å; F103-I119 HydrophobicContact CD2-CG1 4.03Å; F103-I119 HydrophobicContact CD2-CG2 4.13Å; F103-I119 HydrophobicContact CE1-CB 4.1Å; F103-I119 HydrophobicContact CE1-CG1 4.36Å; F103-I119 HydrophobicContact CE1-CG2 3.83Å; F103-I119 HydrophobicContact CE2-CG1 4.49Å; F103-I119 HydrophobicContact CE2-CG2 3.74Å; F103-I119 HydrophobicContact CG-CB 4.42Å; F103-I119 HydrophobicContact CG-CG1 3.79Å; F103-I119 HydrophobicContact CG-CG2 4.43Å; F103-I119 HydrophobicContact CZ-CB 4.34Å; F103-I119 HydrophobicContact CZ-CG2 3.58Å; E115-I119 WeakPolarHBondContact O-CG1 3.39Å; E115-I119 PolarHBondContact O-N 3.36Å; E115-I119 VanDerWaalsContact O-N 3.16Å; L116-I119 PolarHBondContact O-N 2.9Å; A117-I119 VanDerWaalsContact C-N 3.35Å; I119-R121 VanDerWaalsContact C-N 3.29Å; I119-R121 PolarHBondContact O-N 3.41Å; I119-A122 CarbonylContact O-C 3.59Å; I119-A122 WeakPolarHBondContact O-CB 3.44Å; I119-A122 PolarHBondContact O-N 3.26Å; I119-A122 VanDerWaalsContact O-N 3.07Å; I119-S123 PolarHBondContact O-N 3.44Å
120F82.4Confident86.1Confident49 Ų4972.7 Ų72.722%0.21538%0.384CS..Hα-helixtrans-62.6-38.4176.3-80.6-75.5000112L116 A122 S123 G124 E125 V127 I132 L135L116-F120 HydrophobicContact CD1-CD2 4.2Å; L116-F120 HydrophobicContact CD1-CE2 3.69Å; L116-F120 HydrophobicContact CG-CD2 4.14Å; L116-F120 HydrophobicContact CG-CE2 3.91Å; L116-F120 VanDerWaalsContact O-CD2 3.28Å; L116-F120 WeakPolarHBondContact O-CD2 3.28Å; L116-F120 PolarHBondContact O-N 2.91Å; F120-A122 VanDerWaalsContact C-N 3.3Å; F120-A122 PolarHBondContact O-N 2.97Å; F120-S123 PolarHBondContact O-N 3.02Å; F120-S123 PolarHBondContact O-OG 3.3Å; F120-G124 PolarHBondContact O-N 3.29Å; F120-E125 CarbonylContact C-O 3.59Å; F120-E125 HydrophobicContact CD1-CB 4.42Å; F120-E125 WeakPolarHBondContact CD1-OE2 3.39Å; F120-E125 PolarHBondContact O-N 3.26Å; F120-E125 VanDerWaalsContact O-O 3.08Å; F120-V127 HydrophobicContact CB-CB 4.12Å; F120-V127 HydrophobicContact CB-CG1 3.51Å; F120-V127 HydrophobicContact CB-CG2 3.47Å; F120-V127 VanDerWaalsContact CB-CG2 3.47Å; F120-V127 HydrophobicContact CD1-CG1 3.83Å; F120-V127 HydrophobicContact CD2-CG1 4.23Å; F120-V127 HydrophobicContact CG-CG1 3.61Å; F120-V127 HydrophobicContact CG-CG2 4.31Å; F120-I132 HydrophobicContact CD2-CD1 4.09Å; F120-L135 HydrophobicContact CE2-CD1 3.7Å; F120-L135 HydrophobicContact CZ-CD1 3.82Å
121R83.6Confident85.8Confident145 Ų14572.8 Ų72.855%0.54739%0.388SS..Hα-helixtrans-65.9-34.4173.3-71.7172.7-175.7170.15.6112A117 E118 I119 G124 V127 D129A117-R121 WeakPolarHBondContact O-CB 3.35Å; A117-R121 WeakPolarHBondContact O-CG 3.36Å; A117-R121 PolarHBondContact O-N 3.16Å; E118-R121 PolarHBondContact O-N 3.12Å; I119-R121 VanDerWaalsContact C-N 3.29Å; I119-R121 PolarHBondContact O-N 3.41Å; R121-G124 PolarHBondContact O-N 3.47Å; R121-V127 HydrophobicContact CG-CG2 4.34Å; R121-D129 IonicContact NH2-OD1 3.77Å
122A78.5Confident85.8Confident77 Ų7773 Ų7364%0.63639%0.389SS*.Hα-helixtrans-72.8-30.2177.100000113.2E118 I119 F120 G124E118-A122 VanDerWaalsContact O-CB 3.29Å; E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 2.98Å; I119-A122 CarbonylContact O-C 3.59Å; I119-A122 WeakPolarHBondContact O-CB 3.44Å; I119-A122 PolarHBondContact O-N 3.26Å; I119-A122 VanDerWaalsContact O-N 3.07Å; F120-A122 VanDerWaalsContact C-N 3.3Å; F120-A122 PolarHBondContact O-N 2.97Å; A122-G124 PolarHBondContact O-N 3.46Å
123S75.6Confident85.7Confident82 Ų8278.4 Ų78.457%0.57341%0.413SS*.Hα-helixtrans-74.5-9.8173.868.40000113.2I119 F120I119-S123 PolarHBondContact O-N 3.44Å; F120-S123 PolarHBondContact O-N 3.02Å; F120-S123 PolarHBondContact O-OG 3.3Å
124G80.3Confident85.5Confident60 Ų6079.4 Ų79.462%0.61942%0.422SS*.THydrogen-bonded Turntrans906.7-177.800000113.6F120 R121 A122F120-G124 PolarHBondContact O-N 3.29Å; R121-G124 PolarHBondContact O-N 3.47Å; A122-G124 PolarHBondContact O-N 3.46Å
125E78.2Confident85.3Confident113 Ų11376.1 Ų76.153%0.52841%0.408SS..  trans-82.8136.4173.6-66.3-164.5161.300111.1F120 V127F120-E125 CarbonylContact C-O 3.59Å; F120-E125 HydrophobicContact CD1-CB 4.42Å; F120-E125 WeakPolarHBondContact CD1-OE2 3.39Å; F120-E125 PolarHBondContact O-N 3.26Å; F120-E125 VanDerWaalsContact O-O 3.08Å; E125-V127 PolarHBondContact O-N 3.33Å
126H82.1Confident85.2Confident186 Ų18676.2 Ų76.286%0.86141%0.408SS*.  trans-87.795.6173.7-76.8-73.8000109
127V84Confident85.3Confident21 Ų2183.9 Ų83.913%0.12744%0.441CS..  trans-95.6133.7171.6-69.40000111.1F120 R121 E125 I132F120-V127 HydrophobicContact CB-CB 4.12Å; F120-V127 HydrophobicContact CB-CG1 3.51Å; F120-V127 HydrophobicContact CB-CG2 3.47Å; F120-V127 VanDerWaalsContact CB-CG2 3.47Å; F120-V127 HydrophobicContact CD1-CG1 3.83Å; F120-V127 HydrophobicContact CD2-CG1 4.23Å; F120-V127 HydrophobicContact CG-CG1 3.61Å; F120-V127 HydrophobicContact CG-CG2 4.31Å; R121-V127 HydrophobicContact CG-CG2 4.34Å; E125-V127 PolarHBondContact O-N 3.33Å; V127-I132 HydrophobicContact CB-CD1 4.1Å; V127-I132 HydrophobicContact CB-CG1 4.28Å; V127-I132 HydrophobicContact CG2-CD1 3.94Å; V127-I132 HydrophobicContact CG2-CG1 4.19Å
128T89.9Confident85.1Confident72 Ų7288.3 Ų88.344%0.44246%0.464SS..  trans-87.2157172.159.40000110.7E130 E131 I132T128-E130 PolarHBondContact O-N 2.94Å; T128-E131 WeakPolarHBondContact CB-OE2 3.36Å; T128-E131 PolarHBondContact N-OE2 2.79Å; T128-E131 PolarHBondContact O-N 2.92Å; T128-E131 VanDerWaalsContact OG1-CG 3.3Å; T128-E131 WeakPolarHBondContact OG1-CG 3.4Å; T128-E131 PolarHBondContact OG1-N 2.89Å; T128-E131 PolarHBondContact OG1-OE2 3.32Å; T128-I132 PolarHBondContact O-N 2.88Å
129D88.9Confident85Confident113 Ų11383.1 Ų83.160%0.60444%0.44SS*.Hα-helixtrans-59.4-33.1177.3-58.7-14.6000111.1R121 I132 E133R121-D129 IonicContact NH2-OD1 3.77Å; D129-I132 PolarHBondContact O-N 2.87Å; D129-E133 WeakPolarHBondContact O-CG 3.38Å; D129-E133 PolarHBondContact O-N 3.48Å
130E90.3Very high85.4Confident161 Ų16182.8 Ų82.875%0.75244%0.438SS*.Hα-helixtrans-65-38.2174.7-64.9-177.9179.900112.7T128 S134T128-E130 PolarHBondContact O-N 2.94Å; E130-S134 WeakPolarHBondContact O-CB 3.48Å; E130-S134 PolarHBondContact O-N 3.05Å
131E87.5Confident85.7Confident94 Ų9486.7 Ų86.744%0.43946%0.455SS..Hα-helixtrans-69.3-40.2176.1-75164.2136.400111.3T128 S134 L135T128-E131 WeakPolarHBondContact CB-OE2 3.36Å; T128-E131 PolarHBondContact N-OE2 2.79Å; T128-E131 PolarHBondContact O-N 2.92Å; T128-E131 VanDerWaalsContact OG1-CG 3.3Å; T128-E131 WeakPolarHBondContact OG1-CG 3.4Å; T128-E131 PolarHBondContact OG1-N 2.89Å; T128-E131 PolarHBondContact OG1-OE2 3.32Å; E131-S134 WeakPolarHBondContact O-CB 3.43Å; E131-S134 PolarHBondContact O-N 3.35Å; E131-L135 WeakPolarHBondContact O-CG 3.47Å; E131-L135 PolarHBondContact O-N 3.01Å
132I89.1Confident86Confident7 Ų783.6 Ų83.64%0.03645%0.45CS..Hα-helixtrans-63.6-46.9175.2-65.2-61.9000110.6P113 L116 A117 F120 V127 T128 D129 S134 L135 M136P113-I132 HydrophobicContact CB-CG2 3.88Å; P113-I132 WeakPolarHBondContact O-CG2 3.4Å; L116-I132 HydrophobicContact CD2-CD1 4.31Å; L116-I132 HydrophobicContact CG-CD1 4.12Å; A117-I132 HydrophobicContact CB-CD1 3.97Å; A117-I132 HydrophobicContact CB-CG1 3.9Å; F120-I132 HydrophobicContact CD2-CD1 4.09Å; V127-I132 HydrophobicContact CB-CD1 4.1Å; V127-I132 HydrophobicContact CB-CG1 4.28Å; V127-I132 HydrophobicContact CG2-CD1 3.94Å; V127-I132 HydrophobicContact CG2-CG1 4.19Å; T128-I132 PolarHBondContact O-N 2.88Å; D129-I132 PolarHBondContact O-N 2.87Å; I132-S134 PolarHBondContact O-N 2.87Å; I132-L135 PolarHBondContact O-N 2.92Å; I132-M136 HydrophobicContact CG2-CG 4.23Å; I132-M136 WeakPolarHBondContact O-CB 3.37Å; I132-M136 VanDerWaalsContact O-CG 3.24Å; I132-M136 WeakPolarHBondContact O-CG 3.41Å; I132-M136 PolarHBondContact O-N 3.13Å
133E89.5Confident86.4Confident141 Ų14186.3 Ų86.366%0.65945%0.453SS*.Hα-helixtrans-58.5-38.9174.7-76.5-177.1-176.200111.9D129 K137D129-E133 WeakPolarHBondContact O-CG 3.38Å; D129-E133 PolarHBondContact O-N 3.48Å; E133-K137 VanDerWaalsContact O-CB 3.28Å; E133-K137 WeakPolarHBondContact O-CB 3.31Å; E133-K137 PolarHBondContact O-N 3.35Å
134S88Confident87.2Confident65 Ų6586.2 Ų86.246%0.45545%0.446SS..Hα-helixtrans-65.5-45.4176.3-166.50000112.1E130 E131 I132 K137 D138E130-S134 WeakPolarHBondContact O-CB 3.48Å; E130-S134 PolarHBondContact O-N 3.05Å; E131-S134 WeakPolarHBondContact O-CB 3.43Å; E131-S134 PolarHBondContact O-N 3.35Å; I132-S134 PolarHBondContact O-N 2.87Å; S134-K137 PolarHBondContact O-N 3.15Å; S134-D138 PolarHBondContact O-N 3.26Å
135L86.2Confident87.6Confident59 Ų5985.1 Ų85.131%0.30944%0.435SS..Hα-helixtrans-64.7-43.7178.4-72.2172.9000111.5L116 F120 E131 I132 K137 D138 G139L116-L135 HydrophobicContact CD2-CB 3.96Å; L116-L135 HydrophobicContact CD2-CD1 4.45Å; F120-L135 HydrophobicContact CE2-CD1 3.7Å; F120-L135 HydrophobicContact CZ-CD1 3.82Å; E131-L135 WeakPolarHBondContact O-CG 3.47Å; E131-L135 PolarHBondContact O-N 3.01Å; I132-L135 PolarHBondContact O-N 2.92Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-K137 PolarHBondContact O-N 3.25Å; L135-D138 PolarHBondContact O-N 3.38Å; L135-G139 PolarHBondContact O-N 2.75Å
136M89.6Confident88.3Confident12 Ų1284.5 Ų84.56%0.05943%0.428CS..Hα-helixtrans-58.5-45.7175.4-71.7-60.2-60.200110.7P113 L116 I132 D138 G139 D140 G145 I147P113-M136 HydrophobicContact CB-CG 4.06Å; P113-M136 HydrophobicContact CB-SD 4.47Å; P113-M136 HydrophobicContact CG-CE 3.97Å; P113-M136 HydrophobicContact CG-CG 4.01Å; P113-M136 HydrophobicContact CG-SD 4.28Å; L116-M136 HydrophobicContact CB-SD 4.48Å; L116-M136 HydrophobicContact CD2-CG 4.13Å; L116-M136 HydrophobicContact CD2-SD 3.73Å; I132-M136 HydrophobicContact CG2-CG 4.23Å; I132-M136 WeakPolarHBondContact O-CB 3.37Å; I132-M136 VanDerWaalsContact O-CG 3.24Å; I132-M136 WeakPolarHBondContact O-CG 3.41Å; I132-M136 PolarHBondContact O-N 3.13Å; M136-D138 VanDerWaalsContact C-N 3.27Å; M136-D138 PolarHBondContact O-N 2.93Å; M136-G139 PolarHBondContact O-N 2.87Å; M136-D140 WeakPolarHBondContact O-CB 3.35Å; M136-D140 PolarHBondContact O-N 3.25Å; M136-G145 WeakPolarHBondContact CE-O 3.39Å; M136-I147 HydrophobicContact CE-CD1 4.24Å; M136-I147 HydrophobicContact CE-CG1 3.88Å; M136-I147 HydrophobicContact SD-CD1 3.75Å; M136-I147 HydrophobicContact SD-CG1 4.09Å
137K88.2Confident88.7Confident164 Ų16475.7 Ų75.771%0.71339%0.387SS*.Hα-helixtrans-64.9-29.5178.8-171.5178.3179.9-1770113.6E133 S134 L135E133-K137 VanDerWaalsContact O-CB 3.28Å; E133-K137 WeakPolarHBondContact O-CB 3.31Å; E133-K137 PolarHBondContact O-N 3.35Å; S134-K137 PolarHBondContact O-N 3.15Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-K137 PolarHBondContact O-N 3.25Å
138D85.9Confident89.1Confident102 Ų10276.7 Ų76.755%0.54539%0.392SS..Hα-helixtrans-78.4-35.1176.2-76-15.3000111.9S134 L135 M136 K141S134-D138 PolarHBondContact O-N 3.26Å; L135-D138 PolarHBondContact O-N 3.38Å; M136-D138 VanDerWaalsContact C-N 3.27Å; M136-D138 PolarHBondContact O-N 2.93Å; D138-K141 WeakPolarHBondContact O-CE 3.3Å; D138-K141 PolarHBondContact O-NZ 3.25Å
139G85Confident89Confident0 Ų076 Ų760%038%0.383CS..Hα-helixtrans-80.7-48.9179.200000114.3L135 M136 K141L135-G139 PolarHBondContact O-N 2.75Å; M136-G139 PolarHBondContact O-N 2.87Å; G139-K141 PolarHBondContact O-N 2.89Å
140D91.1Very high88.8Confident16 Ų1674.6 Ų74.69%0.08638%0.376CS..  trans-68.795.6-176.81793.3000110.7M136 N142 N143 D144 G145M136-D140 WeakPolarHBondContact O-CB 3.35Å; M136-D140 PolarHBondContact O-N 3.25Å; D140-N142 PolarHBondContact OD1-N 3.34Å; D140-N142 PolarHBondContact OD1-OD1 3.24Å; D140-N143 WeakPolarHBondContact OD1-CA 3.48Å; D140-N143 PolarHBondContact OD1-N 3.39Å; D140-N143 VanDerWaalsContact OD2-CA 3.25Å; D140-N143 WeakPolarHBondContact OD2-CA 3.45Å; D140-D144 PolarHBondContact OD1-N 3.06Å; D140-D144 PolarHBondContact OD2-N 2.82Å; D140-G145 WeakPolarHBondContact OD2-CA 3.3Å; D140-G145 PolarHBondContact OD2-N 3Å
141K87.7Confident88.8Confident130 Ų13067.2 Ų67.257%0.56534%0.341SS*.SBendtrans-82.3-27.9-178.9-61.2-48.5-175-166.30111.2D138 G139 N143 E151D138-K141 WeakPolarHBondContact O-CE 3.3Å; D138-K141 PolarHBondContact O-NZ 3.25Å; G139-K141 PolarHBondContact O-N 2.89Å; K141-N143 PolarHBondContact O-ND2 2.76Å; K141-E151 HydrophobicContact CB-CG 4.39Å; K141-E151 HydrophobicContact CG-CG 4.41Å; K141-E151 PolarHBondContact N-OE1 3.18Å
142N89.9Confident88.7Confident81 Ų8162.9 Ų62.943%0.43332%0.321SS..SBendtrans-90.4-10.5-174.777.526.8000113D140 D144 E151D140-N142 PolarHBondContact OD1-N 3.34Å; D140-N142 PolarHBondContact OD1-OD1 3.24Å; N142-D144 PolarHBondContact ND2-OD2 3.23Å; N142-D144 WeakPolarHBondContact OD1-CB 3.39Å; N142-D144 PolarHBondContact OD1-N 3.05Å; N142-D144 PolarHBondContact OD1-OD1 3.42Å; N142-D144 PolarHBondContact OD1-OD2 3.47Å; N142-E151 PolarHBondContact N-OE1 3.07Å; N142-E151 PolarHBondContact ND2-OE1 2.75Å
143N88.1Confident88.3Confident134 Ų13464 Ų6472%0.71733%0.326SS*.  trans6036.6-176.5-60.2-102.2000114.1D140 K141D140-N143 WeakPolarHBondContact OD1-CA 3.48Å; D140-N143 PolarHBondContact OD1-N 3.39Å; D140-N143 VanDerWaalsContact OD2-CA 3.25Å; D140-N143 WeakPolarHBondContact OD2-CA 3.45Å; K141-N143 PolarHBondContact O-ND2 2.76Å
144D91.2Very high87.9Confident79 Ų7962 Ų6242%0.42232%0.316SS..SBendtrans-87.5-5.9175.175.517.8000113.6D140 N142 R146D140-D144 PolarHBondContact OD1-N 3.06Å; D140-D144 PolarHBondContact OD2-N 2.82Å; N142-D144 PolarHBondContact ND2-OD2 3.23Å; N142-D144 WeakPolarHBondContact OD1-CB 3.39Å; N142-D144 PolarHBondContact OD1-N 3.05Å; N142-D144 PolarHBondContact OD1-OD1 3.42Å; N142-D144 PolarHBondContact OD1-OD2 3.47Å; D144-R146 WeakPolarHBondContact OD1-CA 3.41Å; D144-R146 WeakPolarHBondContact OD1-CB 3.48Å; D144-R146 PolarHBondContact OD1-N 3.03Å
145G89.2Confident87.4Confident38 Ų3861.4 Ų61.439%0.39231%0.307SS..SBendtrans86.38.7179.400000114M136 D140M136-G145 WeakPolarHBondContact CE-O 3.39Å; D140-G145 WeakPolarHBondContact OD2-CA 3.3Å; D140-G145 PolarHBondContact OD2-N 3Å
146R92Very high86.8Confident99 Ų9961.4 Ų61.437%0.37431%0.306SS..SBendtrans-135.7167.4179.4-50.6-177.1176.3-153.6-13.4109.5D108 Y110 I111 D144D108-R146 IonicContact OD2-CZ 2.61Å; D108-R146 IonicContact OD2-NH1 3.25Å; D108-R146 PolarHBondContact OD2-NH1 2.85Å; Y110-R146 HydrophobicContact CD1-CB 4.27Å; Y110-R146 HydrophobicContact CG-CB 4.46Å; I111-R146 WeakPolarHBondContact O-CA 3.28Å; D144-R146 WeakPolarHBondContact OD1-CA 3.41Å; D144-R146 WeakPolarHBondContact OD1-CB 3.48Å; D144-R146 PolarHBondContact OD1-N 3.03Å
147I90.8Very high85.8Confident1 Ų167.4 Ų67.41%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-114.7116.2175.3-61.8173.3000108.2Y110 I111 M136 E151 F152 M155Y110-I147 WeakPolarHBondContact CA-O 3.29Å; I111-I147 HydrophobicContact CB-CB 4.34Å; I111-I147 PolarHBondContact N-O 2.61Å; I111-I147 PolarHBondContact O-N 3.49Å; M136-I147 HydrophobicContact CE-CD1 4.24Å; M136-I147 HydrophobicContact CE-CG1 3.88Å; M136-I147 HydrophobicContact SD-CD1 3.75Å; M136-I147 HydrophobicContact SD-CG1 4.09Å; I147-E151 WeakPolarHBondContact CA-OE2 3.24Å; I147-E151 HydrophobicContact CG2-CB 3.8Å; I147-F152 HydrophobicContact CG2-CB 3.9Å; I147-M155 HydrophobicContact CD1-SD 4.27Å
148D92.2Very high84.3Confident42 Ų4262.6 Ų62.623%0.22533%0.331CS..EExtended strand (participates in β ladder)trans-79.8173.1170.975.338.1000112.3Y110 D150 E151 F152Y110-D148 HydrophobicContact CD1-CB 3.93Å; Y110-D148 HydrophobicContact CE1-CB 3.89Å; D148-D150 VanDerWaalsContact C-N 3.32Å; D148-D150 PolarHBondContact O-N 2.67Å; D148-D150 WeakPolarHBondContact OD1-CA 3.17Å; D148-D150 WeakPolarHBondContact OD1-CB 3.12Å; D148-D150 PolarHBondContact OD1-N 3.35Å; D148-E151 PolarHBondContact N-OE2 3.26Å; D148-E151 PolarHBondContact O-N 3.02Å; D148-E151 PolarHBondContact OD1-N 3.33Å; D148-F152 WeakPolarHBondContact O-CB 3.32Å; D148-F152 PolarHBondContact O-N 2.8Å
149F87.7Confident82.6Confident57 Ų5763.5 Ų63.525%0.2534%0.34CS..Hα-helixtrans-60.8-37.9-178-174.2-116.5000113.1E93 A97 F100 F152 L153E93-F149 HydrophobicContact CG-CE1 4.07Å; E93-F149 HydrophobicContact CG-CZ 4Å; A97-F149 HydrophobicContact CB-CE2 3.95Å; A97-F149 HydrophobicContact CB-CZ 3.86Å; F100-F149 HydrophobicContact CB-CD2 3.82Å; F100-F149 HydrophobicContact CB-CE2 4.05Å; F100-F149 HydrophobicContact CD1-CD2 4.26Å; F100-F149 HydrophobicContact CD2-CB 4.47Å; F100-F149 AromaticContact CD2-CD2 3.88Å; F100-F149 HydrophobicContact CD2-CD2 3.88Å; F100-F149 HydrophobicContact CE2-CB 4.32Å; F100-F149 AromaticContact CG-CD2 3.71Å; F100-F149 HydrophobicContact CG-CD2 3.71Å; F100-F149 HydrophobicContact CG-CE2 4.44Å; F100-F149 HydrophobicContact CZ-CB 4.41Å; F149-F152 PolarHBondContact O-N 2.68Å; F149-L153 HydrophobicContact CD1-CD1 4.08Å; F149-L153 HydrophobicContact CD1-CG 4.38Å; F149-L153 HydrophobicContact CE1-CD1 3.73Å; F149-L153 HydrophobicContact CE1-CD2 4.31Å; F149-L153 HydrophobicContact CE1-CG 4.09Å; F149-L153 HydrophobicContact CE2-CD2 4.22Å; F149-L153 HydrophobicContact CE2-CG 4.39Å; F149-L153 HydrophobicContact CZ-CD1 4.16Å; F149-L153 HydrophobicContact CZ-CD2 3.88Å; F149-L153 HydrophobicContact CZ-CG 4.1Å; F149-L153 VanDerWaalsContact O-CG 3.28Å; F149-L153 WeakPolarHBondContact O-CG 3.46Å; F149-L153 PolarHBondContact O-N 3.43Å
150D86.4Confident80Confident85 Ų8572 Ų7246%0.45538%0.379SS..Hα-helixtrans-70.9-37.3-179.9-177.874.8000111.2D148 L153 K154D148-D150 VanDerWaalsContact C-N 3.32Å; D148-D150 PolarHBondContact O-N 2.67Å; D148-D150 WeakPolarHBondContact OD1-CA 3.17Å; D148-D150 WeakPolarHBondContact OD1-CB 3.12Å; D148-D150 PolarHBondContact OD1-N 3.35Å; D150-L153 PolarHBondContact O-N 2.99Å; D150-K154 WeakPolarHBondContact O-CG 3.47Å; D150-K154 PolarHBondContact O-N 3.24Å; D150-K154 VanDerWaalsContact OD2-CE 3.3Å; D150-K154 WeakPolarHBondContact OD2-CE 3.1Å; D150-K154 IonicContact OD2-NZ 3.88Å; D150-K154 PolarHBondContact OD2-NZ 2.8Å
151E89Confident79.5Confident6 Ų674.8 Ų74.83%0.02839%0.394CS..Hα-helixtrans-65.5-41.6172-70176.2145.200111.8K141 N142 I147 D148 K154 M155K141-E151 HydrophobicContact CB-CG 4.39Å; K141-E151 HydrophobicContact CG-CG 4.41Å; K141-E151 PolarHBondContact N-OE1 3.18Å; N142-E151 PolarHBondContact N-OE1 3.07Å; N142-E151 PolarHBondContact ND2-OE1 2.75Å; I147-E151 WeakPolarHBondContact CA-OE2 3.24Å; I147-E151 HydrophobicContact CG2-CB 3.8Å; D148-E151 PolarHBondContact N-OE2 3.26Å; D148-E151 PolarHBondContact O-N 3.02Å; D148-E151 PolarHBondContact OD1-N 3.33Å; E151-K154 PolarHBondContact O-N 2.85Å; E151-M155 WeakPolarHBondContact O-CB 3.25Å; E151-M155 PolarHBondContact O-N 2.95Å
152F85.2Confident79.1Confident2 Ų271.9 Ų71.91%0.00939%0.385CS..Hα-helixtrans-62.8-43.2174.5-178.8-101000112.2L96 C99 F100 I111 I147 D148 F149 M155 M156L96-F152 HydrophobicContact CB-CE1 4.28Å; L96-F152 HydrophobicContact CD2-CE1 3.93Å; L96-F152 WeakPolarHBondContact O-CE1 3.24Å; C99-F152 HydrophobicContact CB-CE1 4.12Å; C99-F152 HydrophobicContact CB-CZ 3.91Å; F100-F152 HydrophobicContact CB-CD1 4.28Å; F100-F152 HydrophobicContact CB-CE1 4.34Å; F100-F152 HydrophobicContact CD2-CB 3.75Å; F100-F152 AromaticContact CD2-CD1 3.98Å; F100-F152 HydrophobicContact CD2-CD1 3.98Å; F100-F152 HydrophobicContact CD2-CD2 4.35Å; F100-F152 AromaticContact CD2-CG 3.78Å; F100-F152 HydrophobicContact CD2-CG 3.78Å; F100-F152 HydrophobicContact CE2-CB 4.02Å; F100-F152 HydrophobicContact CE2-CG 4.47Å; I111-F152 HydrophobicContact CD1-CD2 3.87Å; I111-F152 HydrophobicContact CD1-CE2 4.23Å; I111-F152 HydrophobicContact CD1-CG 4.47Å; I147-F152 HydrophobicContact CG2-CB 3.9Å; D148-F152 WeakPolarHBondContact O-CB 3.32Å; D148-F152 PolarHBondContact O-N 2.8Å; F149-F152 PolarHBondContact O-N 2.68Å; F152-M155 HydrophobicContact CD2-CE 3.97Å; F152-M155 HydrophobicContact CE2-CE 4.23Å; F152-M155 PolarHBondContact O-N 2.91Å; F152-M156 HydrophobicContact CD1-CG 4.42Å; F152-M156 HydrophobicContact CE1-CE 4.17Å; F152-M156 HydrophobicContact CE1-CG 4.07Å; F152-M156 HydrophobicContact CE2-CE 4.02Å; F152-M156 HydrophobicContact CE2-CG 4.33Å; F152-M156 HydrophobicContact CZ-CE 3.46Å; F152-M156 VanDerWaalsContact CZ-CE 3.46Å; F152-M156 HydrophobicContact CZ-CG 4.03Å; F152-M156 WeakPolarHBondContact O-CG 3.28Å; F152-M156 PolarHBondContact O-N 3.21Å
153L82.5Confident78.5Confident30 Ų3071.4 Ų71.416%0.15738%0.382CS..Hα-helixtrans-57.7-50.3174.3-72.4180000110.6L96 F149 D150 M155 M156 E157L96-L153 HydrophobicContact CB-CD2 3.67Å; L96-L153 HydrophobicContact CD1-CD2 3.32Å; L96-L153 HydrophobicContact CG-CD2 4.09Å; F149-L153 HydrophobicContact CD1-CD1 4.08Å; F149-L153 HydrophobicContact CD1-CG 4.38Å; F149-L153 HydrophobicContact CE1-CD1 3.73Å; F149-L153 HydrophobicContact CE1-CD2 4.31Å; F149-L153 HydrophobicContact CE1-CG 4.09Å; F149-L153 HydrophobicContact CE2-CD2 4.22Å; F149-L153 HydrophobicContact CE2-CG 4.39Å; F149-L153 HydrophobicContact CZ-CD1 4.16Å; F149-L153 HydrophobicContact CZ-CD2 3.88Å; F149-L153 HydrophobicContact CZ-CG 4.1Å; F149-L153 VanDerWaalsContact O-CG 3.28Å; F149-L153 WeakPolarHBondContact O-CG 3.46Å; F149-L153 PolarHBondContact O-N 3.43Å; D150-L153 PolarHBondContact O-N 2.99Å; L153-M155 VanDerWaalsContact C-N 3.3Å; L153-M155 PolarHBondContact O-N 3.32Å; L153-M156 PolarHBondContact O-N 3.04Å; L153-M156 VanDerWaalsContact O-N 3.12Å; L153-E157 WeakPolarHBondContact O-CB 3.4Å; L153-E157 WeakPolarHBondContact O-CG 3.41Å; L153-E157 PolarHBondContact O-N 3.28Å
154K79.3Confident77.9Confident100 Ų10067.7 Ų67.744%0.43536%0.363SS..Hα-helixtrans-62.2-36.8178.2-73.7167.9-179.4159.70112.9D150 E151 M156 G158D150-K154 WeakPolarHBondContact O-CG 3.47Å; D150-K154 PolarHBondContact O-N 3.24Å; D150-K154 VanDerWaalsContact OD2-CE 3.3Å; D150-K154 WeakPolarHBondContact OD2-CE 3.1Å; D150-K154 IonicContact OD2-NZ 3.88Å; D150-K154 PolarHBondContact OD2-NZ 2.8Å; E151-K154 PolarHBondContact O-N 2.85Å; K154-M156 VanDerWaalsContact C-N 3.32Å; K154-G158 PolarHBondContact O-N 3Å; K154-G158 VanDerWaalsContact O-N 3.15Å
155M78.3Confident77.1Confident53 Ų5367 Ų6726%0.26136%0.359SS..Hα-helixtrans-64.2-39.7176.2-170178.974.600111I147 E151 F152 L153I147-M155 HydrophobicContact CD1-SD 4.27Å; E151-M155 WeakPolarHBondContact O-CB 3.25Å; E151-M155 PolarHBondContact O-N 2.95Å; F152-M155 HydrophobicContact CD2-CE 3.97Å; F152-M155 HydrophobicContact CE2-CE 4.23Å; F152-M155 PolarHBondContact O-N 2.91Å; L153-M155 VanDerWaalsContact C-N 3.3Å; L153-M155 PolarHBondContact O-N 3.32Å
156M73.8Confident76.3Confident58 Ų5868.9 Ų68.929%0.28636%0.357SS..Hα-helixtrans-78.2-34.5179.1-73.2-72.5-141.500113.4L96 F152 L153 K154 G158 V159L96-M156 HydrophobicContact CD1-CB 4.45Å; L96-M156 HydrophobicContact CD2-CB 3.81Å; L96-M156 HydrophobicContact CD2-CE 4.15Å; L96-M156 HydrophobicContact CD2-CG 3.71Å; L96-M156 HydrophobicContact CD2-SD 4.43Å; F152-M156 HydrophobicContact CD1-CG 4.42Å; F152-M156 HydrophobicContact CE1-CE 4.17Å; F152-M156 HydrophobicContact CE1-CG 4.07Å; F152-M156 HydrophobicContact CE2-CE 4.02Å; F152-M156 HydrophobicContact CE2-CG 4.33Å; F152-M156 HydrophobicContact CZ-CE 3.46Å; F152-M156 VanDerWaalsContact CZ-CE 3.46Å; F152-M156 HydrophobicContact CZ-CG 4.03Å; F152-M156 WeakPolarHBondContact O-CG 3.28Å; F152-M156 PolarHBondContact O-N 3.21Å; L153-M156 PolarHBondContact O-N 3.04Å; L153-M156 VanDerWaalsContact O-N 3.12Å; K154-M156 VanDerWaalsContact C-N 3.32Å; M156-G158 VanDerWaalsContact C-N 3.26Å; M156-G158 PolarHBondContact O-N 3.32Å; M156-V159 PolarHBondContact O-N 2.82Å
157E68Low75.1Confident138 Ų13866.8 Ų66.865%0.64536%0.356SS*.Hα-helixtrans-65.8-29.8173.3-74.9-176.7153.200112L153 V159L153-E157 WeakPolarHBondContact O-CB 3.4Å; L153-E157 WeakPolarHBondContact O-CG 3.41Å; L153-E157 PolarHBondContact O-N 3.28Å; E157-V159 PolarHBondContact O-N 3.45Å
158G56.8Low73.9Confident64 Ų6471.8 Ų71.866%0.6638%0.383SS*.THydrogen-bonded Turntrans-74.50.7179.700000116K154 M156K154-G158 PolarHBondContact O-N 3Å; K154-G158 VanDerWaalsContact O-N 3.15Å; M156-G158 VanDerWaalsContact C-N 3.26Å; M156-G158 PolarHBondContact O-N 3.32Å
159V49.8Very low72.4Confident120 Ų12074.3 Ų74.373%0.72740%0.396SS*.THydrogen-bonded Turntrans-91.83.4-179.7-175.30000112.6M156 E157M156-V159 PolarHBondContact O-N 2.82Å; E157-V159 PolarHBondContact O-N 3.45Å
160Q32.1Very low71Confident179 Ų17975.9 Ų75.984%0.83641%0.409SS*.  trans-930176.7-65.9-171.615.100114.5A88A88-Q160 PolarHBondContact O-NE2 3.49Å; A88-Q160 PolarHBondContact O-OE1 3.17Å

Retrieved 160 of 160 residues in 53.2 ms (Link to these results)

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