A0A096MNQ4_PAPAN Loading...

THAP domain containing 6

AlphaFold DB (A0A2K5VSF3), UniProt , Accession A0A096MNQ4, Species PAPAN (Papio anubis, Olive baboon), Gene THAP6, Length 222 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.5Low77.2Confident241 Ų24172.5 Ų72.5100%1.18745%0.451SS*.  0125.90-161.5159.89600109
2V68.9Low77.5Confident78 Ų7867.9 Ų67.947%0.47342%0.423SS..  trans-80.2126.1-178.4175.80000109R13V2-R13 HydrophobicContact CG1-CB 4.14Å
3K77.7Confident77.5Confident108 Ų10874.5 Ų74.547%0.4744%0.435SS..  trans-74.1133.8174.8-62.6-174.1-179.9-1790110C14 V60K3-C14 HydrophobicContact CB-CB 3.98Å; K3-C14 WeakPolarHBondContact O-CB 3.45Å; K3-C14 PolarHBondContact O-N 3.11Å; K3-V60 HydrophobicContact CB-CG2 3.98Å; K3-V60 HydrophobicContact CD-CG1 4.09Å
4C81.8Confident77.2Confident69 Ų6972.6 Ų72.647%0.46643%0.428SS..BIsolated β-bridgetrans-108.6151.7176.1-63.30000110S6 V60C4-S6 PolarHBondContact O-N 3.15Å; C4-V60 WeakPolarHBondContact O-CG2 3.38Å
5C84.7Confident76.8Confident12 Ų1273.6 Ų73.68%0.08143%0.429CS..BIsolated β-bridgetrans-66.3130.7172.5-170.20000110.1A7 C10 S12 V60 C62 H65C5-A7 VanDerWaalsContact C-N 3.28Å; C5-A7 PolarHBondContact O-N 2.71Å; C5-C10 HydrophobicContact CB-CB 4.12Å; C5-S12 PolarHBondContact N-O 3.13Å; C5-V60 CarbonylContact C-O 3.58Å; C5-V60 WeakPolarHBondContact CA-O 3.31Å; C5-C62 HydrophobicContact CB-CB 4.27Å; C5-C62 PolarHBondContact SG-N 3.07Å; C5-C62 VanDerWaalsContact SG-SG 3.69Å; C5-H65 VanDerWaalsContact SG-CD2 3.58Å; C5-H65 PolarHBondContact SG-NE2 3.12Å; C5-H65 VanDerWaalsContact SG-NE2 3.4Å
6S85.2Confident75.8Confident10 Ų1076.5 Ų76.57%0.0745%0.451CS..  trans-82.6-2.7-179.1-49.50000113.6C4 M42 R44 D59 V60C4-S6 PolarHBondContact O-N 3.15Å; S6-M42 WeakPolarHBondContact O-CE 2.95Å; S6-R44 PolarHBondContact O-NH1 3.26Å; S6-D59 VanDerWaalsContact OG-CB 3.3Å; S6-D59 WeakPolarHBondContact OG-CB 3.39Å; S6-D59 PolarHBondContact OG-OD1 2.75Å; S6-V60 PolarHBondContact N-O 2.66Å; S6-V60 PolarHBondContact OG-N 2.96Å; S6-V60 PolarHBondContact OG-O 3.07Å
7A82.9Confident74.9Confident7 Ų778.1 Ų78.16%0.05846%0.457CS..SBendtrans-69.9141.5177.100000112.6C5 G9 C10 L61 H65 F89C5-A7 VanDerWaalsContact C-N 3.28Å; C5-A7 PolarHBondContact O-N 2.71Å; A7-G9 PolarHBondContact O-N 3.41Å; A7-C10 HydrophobicContact CB-CB 3.88Å; A7-C10 WeakPolarHBondContact O-CB 3.49Å; A7-C10 PolarHBondContact O-N 2.98Å; A7-L61 HydrophobicContact CB-CD2 3.83Å; A7-H65 WeakPolarHBondContact CB-CE1 3.36Å; A7-H65 WeakPolarHBondContact CB-NE2 3.34Å; A7-F89 HydrophobicContact CB-CD1 4.2Å; A7-F89 HydrophobicContact CB-CE1 3.95Å
8I79.5Confident74.1Confident74 Ų7474.3 Ų74.338%0.37944%0.436SS..THydrogen-bonded Turntrans-59.5133.2176.8-53.4175.8000109.4C10 M42 R44I8-C10 PolarHBondContact O-N 2.99Å; I8-M42 WeakPolarHBondContact CD1-O 3.38Å; I8-R44 HydrophobicContact CD1-CB 3.81Å; I8-R44 HydrophobicContact CD1-CG 4.03Å; I8-R44 HydrophobicContact CG1-CB 4.11Å; I8-R44 HydrophobicContact CG1-CG 4.07Å
9G72.5Confident73.4Confident82 Ų8279.6 Ų79.685%0.84545%0.453SS*.THydrogen-bonded Turntrans72.43.7178.200000115.2A7A7-G9 PolarHBondContact O-N 3.41Å
10C80.7Confident72.5Confident25 Ų2583.1 Ų83.117%0.16947%0.469CS..  trans-95.4107.3-177.7-166.50000112.3C5 A7 I8 S12 C62 H65C5-C10 HydrophobicContact CB-CB 4.12Å; A7-C10 HydrophobicContact CB-CB 3.88Å; A7-C10 WeakPolarHBondContact O-CB 3.49Å; A7-C10 PolarHBondContact O-N 2.98Å; I8-C10 PolarHBondContact O-N 2.99Å; C10-S12 PolarHBondContact O-N 3.3Å; C10-S12 WeakPolarHBondContact SG-CB 3.43Å; C10-S12 PolarHBondContact SG-OG 2.82Å; C10-C62 VanDerWaalsContact SG-SG 3.6Å; C10-H65 PolarHBondContact SG-NE2 2.85Å
11A77.6Confident71.9Confident92 Ų9287.7 Ų87.776%0.7648%0.484SS*.  trans-79.814.6176.200000114.3R13A11-R13 PolarHBondContact O-N 3.49Å
12S80.8Confident72.5Confident17 Ų1778.9 Ų78.912%0.11946%0.455CS..  trans-71.8122.3-176.2-70.60000111.6C5 C10C5-S12 PolarHBondContact N-O 3.13Å; C10-S12 PolarHBondContact O-N 3.3Å; C10-S12 WeakPolarHBondContact SG-CB 3.43Å; C10-S12 PolarHBondContact SG-OG 2.82Å
13R78.4Confident72.8Confident153 Ų15376.5 Ų76.558%0.57744%0.439SS*.BIsolated β-bridgetrans-119.6138.7-179.9-64.7-174.1-78.5-144.7-1.7111.3V2 A11 L15 F25V2-R13 HydrophobicContact CG1-CB 4.14Å; A11-R13 PolarHBondContact O-N 3.49Å; R13-L15 HydrophobicContact CB-CG 4.23Å; R13-L15 PolarHBondContact O-N 3.33Å; R13-F25 WeakPolarHBondContact O-CZ 3.31Å
14C72.9Confident73Confident49 Ų4972.9 Ų72.933%0.33143%0.427SS..  trans-75.670.2179.3-173.70000110.8K3 F25K3-C14 HydrophobicContact CB-CB 3.98Å; K3-C14 WeakPolarHBondContact O-CB 3.45Å; K3-C14 PolarHBondContact O-N 3.11Å; C14-F25 VanDerWaalsContact CA-CZ 3.44Å; C14-F25 HydrophobicContact CB-CD1 4.2Å; C14-F25 HydrophobicContact CB-CD2 3.71Å; C14-F25 HydrophobicContact CB-CE1 4.07Å; C14-F25 HydrophobicContact CB-CE2 3.6Å; C14-F25 HydrophobicContact CB-CG 4.04Å; C14-F25 HydrophobicContact CB-CZ 3.8Å; C14-F25 VanDerWaalsContact N-CZ 3.28Å
15L71.1Confident73Confident87 Ų8771.6 Ų71.646%0.45541%0.413SS..  trans-82.1158.5175.4-65.6169.2000110.6R13 N17 S18R13-L15 HydrophobicContact CB-CG 4.23Å; R13-L15 PolarHBondContact O-N 3.33Å; L15-N17 PolarHBondContact O-N 3.06Å; L15-N17 VanDerWaalsContact O-N 3.13Å; L15-S18 WeakPolarHBondContact O-CB 3.39Å; L15-S18 PolarHBondContact O-N 3.36Å; L15-S18 PolarHBondContact O-OG 3.06Å
16P60.4Low73.1Confident120 Ų12072 Ų7278%0.77941%0.414SS*.G310 helixtrans-52.6-36.3174.9-26.434.6000113.1S18P16-S18 VanDerWaalsContact C-N 3.29Å; P16-S18 PolarHBondContact O-N 3.21Å
17N60.8Low73.1Confident104 Ų10475.6 Ų75.656%0.55644%0.435SS*.G310 helixtrans-82.32.4179-61.9-22.2000114.4L15 K19 L20 K21L15-N17 PolarHBondContact O-N 3.06Å; L15-N17 VanDerWaalsContact O-N 3.13Å; N17-K19 VanDerWaalsContact C-N 3.34Å; N17-K19 PolarHBondContact O-N 3.41Å; N17-L20 HydrophobicContact CB-CD1 4.47Å; N17-L20 PolarHBondContact O-N 2.9Å; N17-K21 PolarHBondContact O-N 2.99Å
18S60.3Low73.1Confident10 Ų1076.2 Ų76.27%0.0744%0.437CS..G310 helixtrans-64.3-38.1-179.5570000112.3L15 P16 L20 K21 G22 L23L15-S18 WeakPolarHBondContact O-CB 3.39Å; L15-S18 PolarHBondContact O-N 3.36Å; L15-S18 PolarHBondContact O-OG 3.06Å; P16-S18 VanDerWaalsContact C-N 3.29Å; P16-S18 PolarHBondContact O-N 3.21Å; S18-L20 VanDerWaalsContact C-N 3.32Å; S18-L20 PolarHBondContact O-N 3.48Å; S18-K21 CarbonylContact O-C 3.59Å; S18-K21 PolarHBondContact O-N 3.14Å; S18-K21 VanDerWaalsContact O-N 3.12Å; S18-G22 PolarHBondContact O-N 3.34Å; S18-L23 CarbonylContact C-O 3.59Å; S18-L23 WeakPolarHBondContact O-CB 3.3Å; S18-L23 PolarHBondContact O-N 2.95Å
19K60.8Low73.2Confident175 Ų17574.1 Ų74.176%0.76143%0.428SS*.G310 helixtrans-62.4-37.5175.1-65.5-174.5179.4-177.80112.5N17 K21 G22N17-K19 VanDerWaalsContact C-N 3.34Å; N17-K19 PolarHBondContact O-N 3.41Å; K19-K21 PolarHBondContact O-N 3.35Å; K19-G22 PolarHBondContact O-N 3.07Å
20L55.6Low73.6Confident149 Ų14976.8 Ų76.878%0.7843%0.428SS*.G310 helixtrans-67-26.8176.5-65.2171.8000112.4N17 S18 G22N17-L20 HydrophobicContact CB-CD1 4.47Å; N17-L20 PolarHBondContact O-N 2.9Å; S18-L20 VanDerWaalsContact C-N 3.32Å; S18-L20 PolarHBondContact O-N 3.48Å; L20-G22 VanDerWaalsContact C-N 3.27Å
21K60.9Low73.7Confident180 Ų18080.4 Ų80.478%0.78345%0.445SS*.G310 helixtrans-87.78.6173.1-65.2-175.7178.2-174.80113.1N17 S18 K19 L23N17-K21 PolarHBondContact O-N 2.99Å; S18-K21 CarbonylContact O-C 3.59Å; S18-K21 PolarHBondContact O-N 3.14Å; S18-K21 VanDerWaalsContact O-N 3.12Å; K19-K21 PolarHBondContact O-N 3.35Å; K21-L23 PolarHBondContact O-N 3.48Å
22G68.4Low73.9Confident55 Ų5580.8 Ų80.857%0.56743%0.431SS*.THydrogen-bonded Turntrans68.519.7-177.200000114S18 K19 L20S18-G22 PolarHBondContact O-N 3.34Å; K19-G22 PolarHBondContact O-N 3.07Å; L20-G22 VanDerWaalsContact C-N 3.27Å
23L76.2Confident73.9Confident28 Ų2885.6 Ų85.615%0.14746%0.456CS..  trans-99.4105-175.4-168.571.1000110.7S18 K21 F25 C62 R64S18-L23 CarbonylContact C-O 3.59Å; S18-L23 WeakPolarHBondContact O-CB 3.3Å; S18-L23 PolarHBondContact O-N 2.95Å; K21-L23 PolarHBondContact O-N 3.48Å; L23-F25 HydrophobicContact CD2-CE2 3.92Å; L23-F25 HydrophobicContact CD2-CZ 3.61Å; L23-F25 HydrophobicContact CG-CE2 3.99Å; L23-F25 HydrophobicContact CG-CZ 4.04Å; L23-C62 HydrophobicContact CD1-CB 3.77Å; L23-C62 HydrophobicContact CG-CB 4.27Å; L23-R64 HydrophobicContact CD1-CG 3.93Å
24T81.3Confident74.1Confident33 Ų3379.9 Ų79.920%0.20244%0.436CS..  trans-94.6151.8169.956.10000112H26 C62 S63 I78T24-H26 PolarHBondContact OG1-NE2 2.87Å; T24-C62 CarbonylContact O-C 3.57Å; T24-C62 WeakPolarHBondContact O-CA 3.46Å; T24-S63 PolarHBondContact N-OG 3.37Å; T24-S63 PolarHBondContact O-N 2.78Å; T24-S63 PolarHBondContact O-OG 3.42Å; T24-S63 VanDerWaalsContact OG1-CB 3.29Å; T24-S63 WeakPolarHBondContact OG1-CB 3.37Å; T24-S63 PolarHBondContact OG1-OG 3.41Å; T24-I78 HydrophobicContact CG2-CB 4.2Å; T24-I78 HydrophobicContact CG2-CD1 4.21Å; T24-I78 HydrophobicContact CG2-CG2 4.43Å
25F83Confident74.6Confident41 Ų4179.8 Ų79.818%0.1843%0.43CS..EExtended strand (participates in β ladder)trans-116.7131.2177.5-66.1-95.8000109.5R13 C14 L23 V60 C62R13-F25 WeakPolarHBondContact O-CZ 3.31Å; C14-F25 VanDerWaalsContact CA-CZ 3.44Å; C14-F25 HydrophobicContact CB-CD1 4.2Å; C14-F25 HydrophobicContact CB-CD2 3.71Å; C14-F25 HydrophobicContact CB-CE1 4.07Å; C14-F25 HydrophobicContact CB-CE2 3.6Å; C14-F25 HydrophobicContact CB-CG 4.04Å; C14-F25 HydrophobicContact CB-CZ 3.8Å; C14-F25 VanDerWaalsContact N-CZ 3.28Å; L23-F25 HydrophobicContact CD2-CE2 3.92Å; L23-F25 HydrophobicContact CD2-CZ 3.61Å; L23-F25 HydrophobicContact CG-CE2 3.99Å; L23-F25 HydrophobicContact CG-CZ 4.04Å; F25-V60 HydrophobicContact CB-CB 4.46Å; F25-V60 HydrophobicContact CB-CG2 4.37Å; F25-V60 HydrophobicContact CD1-CG2 3.93Å; F25-C62 HydrophobicContact CD1-CB 4.12Å; F25-C62 HydrophobicContact CE1-CB 3.93Å; F25-C62 HydrophobicContact CZ-CB 4.44Å
26H85.3Confident75Confident21 Ų2183.4 Ų83.410%0.09744%0.438CS..EExtended strand (participates in β ladder)trans-118.6128.1-174.9-58.4-80.4000109.4T24 W38 V60 L61 F71 L80T24-H26 PolarHBondContact OG1-NE2 2.87Å; H26-W38 HydrophobicContact CB-CH2 4.35Å; H26-V60 CarbonylContact O-C 3.54Å; H26-V60 WeakPolarHBondContact O-CA 3.43Å; H26-L61 PolarHBondContact N-O 3.07Å; H26-L61 PolarHBondContact O-N 3.03Å; H26-F71 AromaticContact CE1-CE1 3.95Å; H26-F71 AromaticContact NE2-CE1 3.49Å; H26-F71 WeakPolarHBondContact NE2-CE1 3.37Å; H26-L80 HydrophobicContact CB-CD1 3.73Å
27V85Confident76.1Confident86 Ų8683 Ų8352%0.52142%0.424SS..EExtended strand (participates in β ladder)trans-74.7151.6175.4-173.80000108.9V60V27-V60 HydrophobicContact CG2-CG1 4Å
28F83.8Confident77.3Confident20 Ų2078.3 Ų78.39%0.08840%0.398CS..PPolyproline II helixtrans-56.8140.6173.4-77.5-97.7000111.1K35 W38 V39 M42 W53 P55 D59 L61F28-K35 HydrophobicContact CD1-CG 4.31Å; F28-W38 HydrophobicContact CD1-CB 4.17Å; F28-W38 HydrophobicContact CD1-CD2 4.5Å; F28-W38 AromaticContact CD1-CE3 3.84Å; F28-W38 HydrophobicContact CD1-CE3 3.84Å; F28-W38 HydrophobicContact CE1-CB 3.95Å; F28-W38 AromaticContact CE1-CE3 3.98Å; F28-W38 HydrophobicContact CE1-CE3 3.98Å; F28-W38 HydrophobicContact CG-CE3 4.33Å; F28-V39 HydrophobicContact CE1-CG2 4.32Å; F28-M42 HydrophobicContact CE1-SD 4.08Å; F28-M42 HydrophobicContact CZ-CE 4.48Å; F28-M42 HydrophobicContact CZ-SD 3.7Å; F28-W53 HydrophobicContact CZ-CH2 4.32Å; F28-W53 HydrophobicContact CZ-CZ3 4.07Å; F28-P55 HydrophobicContact CD1-CB 3.87Å; F28-P55 HydrophobicContact CD1-CG 3.68Å; F28-P55 HydrophobicContact CD2-CB 3.75Å; F28-P55 HydrophobicContact CD2-CG 4.43Å; F28-P55 HydrophobicContact CE1-CB 3.77Å; F28-P55 HydrophobicContact CE1-CG 3.77Å; F28-P55 HydrophobicContact CE2-CB 3.68Å; F28-P55 HydrophobicContact CG-CB 3.86Å; F28-P55 HydrophobicContact CG-CG 4.03Å; F28-P55 HydrophobicContact CZ-CB 3.68Å; F28-P55 HydrophobicContact CZ-CG 4.21Å; F28-D59 HydrophobicContact CD2-CB 3.99Å; F28-D59 WeakPolarHBondContact CD2-O 3.49Å; F28-D59 HydrophobicContact CE2-CB 3.69Å; F28-L61 HydrophobicContact CE2-CG 4.42Å; F28-L61 HydrophobicContact CZ-CD1 4.39Å; F28-L61 HydrophobicContact CZ-CG 4.2Å
29P82.2Confident78.4Confident30 Ų3078.5 Ų78.520%0.19540%0.399CS..PPolyproline II helixtrans-58.5149.6177-23.333.3000112.3D31 I34 W38P29-D31 VanDerWaalsContact C-N 3.28Å; P29-I34 HydrophobicContact CB-CB 4.16Å; P29-I34 HydrophobicContact CB-CG2 4.23Å; P29-I34 HydrophobicContact CG-CB 4.18Å; P29-I34 HydrophobicContact CG-CG2 3.72Å; P29-W38 HydrophobicContact CG-CD2 4.28Å; P29-W38 HydrophobicContact CG-CH2 4.47Å; P29-W38 HydrophobicContact CG-CZ2 4Å
30T80.3Confident79.3Confident137 Ų13775.1 Ų75.184%0.8439%0.389SS*.SBendtrans-68.9-30.2171.4-50.80000111.5E32T30-E32 PolarHBondContact O-N 3.06Å
31D82.3Confident80.4Confident101 Ų10169.3 Ų69.354%0.5436%0.362SS..  trans-68113177.2-62.4-60.2000111.5P29 N33 I34 K35P29-D31 VanDerWaalsContact C-N 3.28Å; D31-N33 PolarHBondContact O-N 3.29Å; D31-N33 VanDerWaalsContact O-N 3.16Å; D31-I34 HydrophobicContact CB-CB 4.27Å; D31-I34 HydrophobicContact CB-CD1 3.95Å; D31-I34 HydrophobicContact CB-CG1 4.02Å; D31-I34 PolarHBondContact O-N 3.29Å; D31-K35 WeakPolarHBondContact O-CB 3.27Å; D31-K35 PolarHBondContact O-N 2.93Å
32E81.9Confident81.2Confident100 Ų10061.1 Ų61.147%0.46733%0.327SS..Hα-helixtrans-57.5-33.3-178.7-71.2-61.8153.600112.7T30 K35 R36T30-E32 PolarHBondContact O-N 3.06Å; E32-K35 IonicContact OE1-NZ 3.4Å; E32-K35 PolarHBondContact OE1-NZ 3.37Å; E32-K35 IonicContact OE2-NZ 2.66Å; E32-K35 PolarHBondContact OE2-NZ 3.3Å; E32-K35 VanDerWaalsContact OE2-NZ 3.09Å; E32-R36 WeakPolarHBondContact O-CB 3.3Å; E32-R36 VanDerWaalsContact O-CG 3.24Å; E32-R36 WeakPolarHBondContact O-CG 3.47Å; E32-R36 PolarHBondContact O-N 3.49Å
33N81.9Confident81.3Confident119 Ų11967 Ų6764%0.63634%0.337SS*.Hα-helixtrans-65.3-43.1176.6-75.1-48.2000112.8D31 K37D31-N33 PolarHBondContact O-N 3.29Å; D31-N33 VanDerWaalsContact O-N 3.16Å; N33-K37 WeakPolarHBondContact O-CG 3.28Å; N33-K37 PolarHBondContact O-N 3.36Å
34I81.3Confident81.1Confident32 Ų3269.6 Ų69.616%0.16435%0.345CS..Hα-helixtrans-75.5-39.7-179.9-54.5174.2000109.3P29 D31 R36 K37 W38P29-I34 HydrophobicContact CB-CB 4.16Å; P29-I34 HydrophobicContact CB-CG2 4.23Å; P29-I34 HydrophobicContact CG-CB 4.18Å; P29-I34 HydrophobicContact CG-CG2 3.72Å; D31-I34 HydrophobicContact CB-CB 4.27Å; D31-I34 HydrophobicContact CB-CD1 3.95Å; D31-I34 HydrophobicContact CB-CG1 4.02Å; D31-I34 PolarHBondContact O-N 3.29Å; I34-R36 PolarHBondContact O-N 3.44Å; I34-K37 WeakPolarHBondContact O-CB 3.18Å; I34-K37 PolarHBondContact O-N 3.4Å; I34-K37 VanDerWaalsContact O-N 3.11Å; I34-W38 PolarHBondContact O-N 3.1Å
35K83.8Confident80.3Confident48 Ų4874.1 Ų74.121%0.20937%0.367CS..Hα-helixtrans-57.2-46174-179.1178162.1-148.40112F28 D31 E32 K37 W38 V39 P55F28-K35 HydrophobicContact CD1-CG 4.31Å; D31-K35 WeakPolarHBondContact O-CB 3.27Å; D31-K35 PolarHBondContact O-N 2.93Å; E32-K35 IonicContact OE1-NZ 3.4Å; E32-K35 PolarHBondContact OE1-NZ 3.37Å; E32-K35 IonicContact OE2-NZ 2.66Å; E32-K35 PolarHBondContact OE2-NZ 3.3Å; E32-K35 VanDerWaalsContact OE2-NZ 3.09Å; K35-K37 VanDerWaalsContact C-N 3.33Å; K35-K37 PolarHBondContact O-N 3.19Å; K35-W38 WeakPolarHBondContact O-CB 3.42Å; K35-W38 PolarHBondContact O-N 3.36Å; K35-V39 WeakPolarHBondContact O-CG2 3.5Å; K35-V39 PolarHBondContact O-N 2.86Å; K35-P55 HydrophobicContact CG-CG 4.2Å
36R80.4Confident79.2Confident162 Ų16274.7 Ų74.761%0.61137%0.372SS*.Hα-helixtrans-58.5-42.6173-77.1175.2-176.5-179.50.5112.2E32 I34 W38 V39 L40E32-R36 WeakPolarHBondContact O-CB 3.3Å; E32-R36 VanDerWaalsContact O-CG 3.24Å; E32-R36 WeakPolarHBondContact O-CG 3.47Å; E32-R36 PolarHBondContact O-N 3.49Å; I34-R36 PolarHBondContact O-N 3.44Å; R36-W38 VanDerWaalsContact C-N 3.33Å; R36-W38 PolarHBondContact O-N 3.49Å; R36-V39 PolarHBondContact O-N 2.97Å; R36-L40 WeakPolarHBondContact O-CB 3.35Å; R36-L40 VanDerWaalsContact O-CG 3.31Å; R36-L40 WeakPolarHBondContact O-CG 3.48Å; R36-L40 PolarHBondContact O-N 3.29Å
37K83Confident77.8Confident112 Ų11280.4 Ų80.449%0.48741%0.408SS..Hα-helixtrans-63.2-38176.7-68.9179-170.4-178.20112.3N33 I34 K35 A41 I85N33-K37 WeakPolarHBondContact O-CG 3.28Å; N33-K37 PolarHBondContact O-N 3.36Å; I34-K37 WeakPolarHBondContact O-CB 3.18Å; I34-K37 PolarHBondContact O-N 3.4Å; I34-K37 VanDerWaalsContact O-N 3.11Å; K35-K37 VanDerWaalsContact C-N 3.33Å; K35-K37 PolarHBondContact O-N 3.19Å; K37-A41 VanDerWaalsContact O-CB 3.29Å; K37-A41 WeakPolarHBondContact O-CB 3.46Å; K37-A41 PolarHBondContact O-N 3.45Å; K37-I85 HydrophobicContact CB-CD1 3.93Å; K37-I85 HydrophobicContact CB-CG1 4Å; K37-I85 HydrophobicContact CB-CG2 4.33Å; K37-I85 HydrophobicContact CD-CD1 3.56Å; K37-I85 HydrophobicContact CD-CG1 4.25Å; K37-I85 HydrophobicContact CG-CD1 4.27Å
38W86.7Confident76.4Confident6 Ų683.3 Ų83.32%0.02342%0.421CS..Hα-helixtrans-64-44.7174.7-76.836000111.8H26 F28 P29 I34 K35 R36 A41 M42 L61 F66 L80 V84 P86H26-W38 HydrophobicContact CB-CH2 4.35Å; F28-W38 HydrophobicContact CD1-CB 4.17Å; F28-W38 HydrophobicContact CD1-CD2 4.5Å; F28-W38 AromaticContact CD1-CE3 3.84Å; F28-W38 HydrophobicContact CD1-CE3 3.84Å; F28-W38 HydrophobicContact CE1-CB 3.95Å; F28-W38 AromaticContact CE1-CE3 3.98Å; F28-W38 HydrophobicContact CE1-CE3 3.98Å; F28-W38 HydrophobicContact CG-CE3 4.33Å; P29-W38 HydrophobicContact CG-CD2 4.28Å; P29-W38 HydrophobicContact CG-CH2 4.47Å; P29-W38 HydrophobicContact CG-CZ2 4Å; I34-W38 PolarHBondContact O-N 3.1Å; K35-W38 WeakPolarHBondContact O-CB 3.42Å; K35-W38 PolarHBondContact O-N 3.36Å; R36-W38 VanDerWaalsContact C-N 3.33Å; R36-W38 PolarHBondContact O-N 3.49Å; W38-A41 PolarHBondContact O-N 3.38Å; W38-M42 WeakPolarHBondContact O-CG 3.42Å; W38-M42 PolarHBondContact O-N 3.29Å; W38-L61 HydrophobicContact CD2-CD1 4.4Å; W38-L61 HydrophobicContact CE3-CD1 3.57Å; W38-L61 HydrophobicContact CE3-CG 4.33Å; W38-L61 HydrophobicContact CZ3-CB 4.29Å; W38-L61 HydrophobicContact CZ3-CD1 3.9Å; W38-L61 HydrophobicContact CZ3-CG 4.35Å; W38-F66 HydrophobicContact CD2-CZ 4.48Å; W38-F66 HydrophobicContact CE3-CZ 4.22Å; W38-F66 AromaticContact CH2-CE1 3.75Å; W38-F66 HydrophobicContact CH2-CE1 3.75Å; W38-F66 HydrophobicContact CH2-CE2 4.3Å; W38-F66 AromaticContact CH2-CZ 3.29Å; W38-F66 HydrophobicContact CH2-CZ 3.29Å; W38-F66 AromaticContact CZ2-CE1 3.52Å; W38-F66 HydrophobicContact CZ2-CE1 3.52Å; W38-F66 AromaticContact CZ2-CZ 3.59Å; W38-F66 HydrophobicContact CZ2-CZ 3.59Å; W38-F66 HydrophobicContact CZ3-CE1 4.4Å; W38-F66 AromaticContact CZ3-CZ 3.64Å; W38-F66 HydrophobicContact CZ3-CZ 3.64Å; W38-L80 HydrophobicContact CH2-CD1 3.56Å; W38-L80 HydrophobicContact CZ2-CD1 3.76Å; W38-V84 PolarHBondContact NE1-O 3Å; W38-P86 HydrophobicContact CB-CG 4.23Å; W38-P86 HydrophobicContact CD2-CG 4.16Å; W38-P86 VanDerWaalsContact CG-CD 3.46Å; W38-P86 HydrophobicContact CG-CG 4.01Å
39V82.6Confident75Confident14 Ų1485 Ų859%0.08544%0.438CS..Hα-helixtrans-61.3-47.1178168.50000111.5F28 K35 R36 A41 M42 K43 I52 W53 P55F28-V39 HydrophobicContact CE1-CG2 4.32Å; K35-V39 WeakPolarHBondContact O-CG2 3.5Å; K35-V39 PolarHBondContact O-N 2.86Å; R36-V39 PolarHBondContact O-N 2.97Å; V39-A41 VanDerWaalsContact C-N 3.31Å; V39-A41 PolarHBondContact O-N 2.98Å; V39-M42 PolarHBondContact O-N 3.19Å; V39-K43 PolarHBondContact O-N 2.89Å; V39-I52 HydrophobicContact CG1-CG2 3.23Å; V39-W53 WeakPolarHBondContact CG1-O 3.45Å; V39-P55 HydrophobicContact CG2-CG 3.65Å
40L78.6Confident73.6Confident104 Ų10489.3 Ų89.355%0.54548%0.476SS..Hα-helixtrans-61.4-40.1175.8-71.2171.6000111.9R36 M42 K43 I52R36-L40 WeakPolarHBondContact O-CB 3.35Å; R36-L40 VanDerWaalsContact O-CG 3.31Å; R36-L40 WeakPolarHBondContact O-CG 3.48Å; R36-L40 PolarHBondContact O-N 3.29Å; L40-M42 VanDerWaalsContact C-N 3.3Å; L40-M42 PolarHBondContact O-N 2.76Å; L40-K43 WeakPolarHBondContact O-CG 3.04Å; L40-K43 PolarHBondContact O-N 3.17Å; L40-K43 VanDerWaalsContact O-N 3.14Å; L40-I52 HydrophobicContact CD2-CD1 3.86Å
41A80Confident72.8Confident27 Ų2784.2 Ų84.222%0.22345%0.451CS..Hα-helixtrans-66.2-32.2179.200000112.8K37 W38 V39 K43 I85 P86 F89K37-A41 VanDerWaalsContact O-CB 3.29Å; K37-A41 WeakPolarHBondContact O-CB 3.46Å; K37-A41 PolarHBondContact O-N 3.45Å; W38-A41 PolarHBondContact O-N 3.38Å; V39-A41 VanDerWaalsContact C-N 3.31Å; V39-A41 PolarHBondContact O-N 2.98Å; A41-K43 PolarHBondContact O-N 3.21Å; A41-I85 HydrophobicContact CB-CG2 3.9Å; A41-P86 HydrophobicContact CB-CG 4.19Å; A41-P86 VanDerWaalsContact CB-O 3.31Å; A41-P86 WeakPolarHBondContact CB-O 3.35Å; A41-F89 VanDerWaalsContact C-CE2 3.47Å; A41-F89 HydrophobicContact CB-CE2 3.86Å; A41-F89 HydrophobicContact CB-CZ 4.48Å; A41-F89 VanDerWaalsContact O-CD2 3.28Å; A41-F89 WeakPolarHBondContact O-CD2 3.33Å; A41-F89 WeakPolarHBondContact O-CE2 3.12Å
42M77.8Confident72.3Confident7 Ų784.2 Ų84.23%0.03445%0.45CS..Hα-helixtrans-69.4-19.1175.1-70.4170.662.100113.3S6 I8 F28 W38 V39 L40 R44 W53 L61 F89S6-M42 WeakPolarHBondContact O-CE 2.95Å; I8-M42 WeakPolarHBondContact CD1-O 3.38Å; F28-M42 HydrophobicContact CE1-SD 4.08Å; F28-M42 HydrophobicContact CZ-CE 4.48Å; F28-M42 HydrophobicContact CZ-SD 3.7Å; W38-M42 WeakPolarHBondContact O-CG 3.42Å; W38-M42 PolarHBondContact O-N 3.29Å; V39-M42 PolarHBondContact O-N 3.19Å; L40-M42 VanDerWaalsContact C-N 3.3Å; L40-M42 PolarHBondContact O-N 2.76Å; M42-R44 HydrophobicContact CB-CB 4.46Å; M42-R44 PolarHBondContact O-N 3.48Å; M42-W53 HydrophobicContact CE-CE3 3.99Å; M42-W53 HydrophobicContact CE-CH2 4.21Å; M42-W53 HydrophobicContact CE-CZ3 3.5Å; M42-W53 HydrophobicContact SD-CZ3 4.05Å; M42-L61 HydrophobicContact CE-CD2 4.21Å; M42-L61 HydrophobicContact CG-CD1 4.49Å; M42-L61 HydrophobicContact SD-CD1 4.08Å; M42-L61 HydrophobicContact SD-CD2 4.01Å; M42-L61 HydrophobicContact SD-CG 4.44Å; M42-F89 HydrophobicContact CB-CE1 4.29Å; M42-F89 HydrophobicContact CB-CZ 4.24Å; M42-F89 HydrophobicContact CG-CE1 3.62Å; M42-F89 HydrophobicContact CG-CZ 3.51Å
43K71.1Confident72.2Confident178 Ų17880.4 Ų80.477%0.77443%0.431SS*.THydrogen-bonded Turntrans46.936.2-178.4-61.7-176.2178-176.30113V39 L40 A41V39-K43 PolarHBondContact O-N 2.89Å; L40-K43 WeakPolarHBondContact O-CG 3.04Å; L40-K43 PolarHBondContact O-N 3.17Å; L40-K43 VanDerWaalsContact O-N 3.14Å; A41-K43 PolarHBondContact O-N 3.21Å
44R70.2Confident72Confident84 Ų8482.1 Ų82.132%0.31744%0.435SS..  trans-88.5114.9-179.5-170.5175.2173.3-169.1-3.1109S6 I8 M42 W53S6-R44 PolarHBondContact O-NH1 3.26Å; I8-R44 HydrophobicContact CD1-CB 3.81Å; I8-R44 HydrophobicContact CD1-CG 4.03Å; I8-R44 HydrophobicContact CG1-CB 4.11Å; I8-R44 HydrophobicContact CG1-CG 4.07Å; M42-R44 HydrophobicContact CB-CB 4.46Å; M42-R44 PolarHBondContact O-N 3.48Å; R44-W53 HydrophobicContact CB-CB 3.92Å; R44-W53 HydrophobicContact CB-CG 4.43Å; R44-W53 HydrophobicContact CG-CB 3.72Å; R44-W53 HydrophobicContact CG-CD2 4.39Å; R44-W53 HydrophobicContact CG-CG 3.96Å; R44-W53 VanDerWaalsContact NH1-CZ2 3.28Å; R44-W53 WeakPolarHBondContact O-CB 3.26Å; R44-W53 PolarHBondContact O-N 3.33Å
45L65.7Low71.9Confident128 Ų12881.5 Ų81.567%0.6743%0.433SS*.BIsolated β-bridgetrans-80.6137.1166-74.1152.4000107.9
46D60.2Low71.7Confident52 Ų5287.1 Ų87.128%0.27846%0.458SS..  trans-68.6135.4165.1-155.4-43.7000107.9N48 A49 G51D46-N48 VanDerWaalsContact C-N 3.26Å; D46-N48 PolarHBondContact OD1-N 3.3Å; D46-N48 PolarHBondContact OD1-ND2 3.47Å; D46-A49 CarbonylContact C-O 3.52Å; D46-A49 HydrophobicContact CB-CB 4.37Å; D46-G51 PolarHBondContact N-O 3.15Å
47V56Low71.3Confident141 Ų14189.8 Ų89.886%0.85547%0.474SS*.SBendtrans-77.4-18.6177.8-103.10000111.2
48N54.9Low70.9Confident148 Ų14886.8 Ų86.879%0.79148%0.475SS*.SBendtrans-105.3-16.7-174.5-50.1-71.6000113.6D46D46-N48 VanDerWaalsContact C-N 3.26Å; D46-N48 PolarHBondContact OD1-N 3.3Å; D46-N48 PolarHBondContact OD1-ND2 3.47Å
49A53.7Low70.7Confident56 Ų5688.1 Ų88.146%0.46348%0.482SS..SBendtrans-130.2132.7173.900000106.2D46 G51D46-A49 CarbonylContact C-O 3.52Å; D46-A49 HydrophobicContact CB-CB 4.37Å; A49-G51 PolarHBondContact O-N 3.14Å
50A52.4Low70.8Confident120 Ų12087.6 Ų87.699%0.99248%0.479SS*.SBendtrans-68.549.3177.600000112.4
51G63.9Low71.2Confident29 Ų2982.6 Ų82.630%0.29945%0.453SS..SBendtrans-146174.8-168.700000112.5D46 A49D46-G51 PolarHBondContact N-O 3.15Å; A49-G51 PolarHBondContact O-N 3.14Å
52I71.7Confident71.5Confident102 Ų10281.3 Ų81.352%0.52344%0.442SS..BIsolated β-bridgetrans-73.9130.5-177-62165.1000109.1V39 L40V39-I52 HydrophobicContact CG1-CG2 3.23Å; L40-I52 HydrophobicContact CD2-CD1 3.86Å
53W80.6Confident71.8Confident20 Ų2081.7 Ų81.78%0.07645%0.446CS..  trans-63135.9-179.8172.879.2000112.7F28 V39 M42 R44 P55 D59F28-W53 HydrophobicContact CZ-CH2 4.32Å; F28-W53 HydrophobicContact CZ-CZ3 4.07Å; V39-W53 WeakPolarHBondContact CG1-O 3.45Å; M42-W53 HydrophobicContact CE-CE3 3.99Å; M42-W53 HydrophobicContact CE-CH2 4.21Å; M42-W53 HydrophobicContact CE-CZ3 3.5Å; M42-W53 HydrophobicContact SD-CZ3 4.05Å; R44-W53 HydrophobicContact CB-CB 3.92Å; R44-W53 HydrophobicContact CB-CG 4.43Å; R44-W53 HydrophobicContact CG-CB 3.72Å; R44-W53 HydrophobicContact CG-CD2 4.39Å; R44-W53 HydrophobicContact CG-CG 3.96Å; R44-W53 VanDerWaalsContact NH1-CZ2 3.28Å; R44-W53 WeakPolarHBondContact O-CB 3.26Å; R44-W53 PolarHBondContact O-N 3.33Å; W53-P55 VanDerWaalsContact CH2-CA 3.47Å; W53-P55 HydrophobicContact CH2-CB 3.6Å; W53-P55 HydrophobicContact CZ2-CB 4.41Å; W53-P55 HydrophobicContact CZ3-CB 3.72Å; W53-P55 HydrophobicContact CZ3-CG 4.4Å; W53-D59 HydrophobicContact CH2-CB 4.1Å; W53-D59 WeakPolarHBondContact CZ2-OD2 3.37Å
54E77.4Confident72.3Confident155 Ų15580.2 Ų80.272%0.72444%0.435SS*.  trans-104.9131.9178.5-65.6-167.1159.700113.5
55P78.4Confident73.1Confident18 Ų1876.6 Ų76.612%0.11742%0.422CS..  trans-78131.8179.629.2-32000111.8F28 K35 V39 W53 D59F28-P55 HydrophobicContact CD1-CB 3.87Å; F28-P55 HydrophobicContact CD1-CG 3.68Å; F28-P55 HydrophobicContact CD2-CB 3.75Å; F28-P55 HydrophobicContact CD2-CG 4.43Å; F28-P55 HydrophobicContact CE1-CB 3.77Å; F28-P55 HydrophobicContact CE1-CG 3.77Å; F28-P55 HydrophobicContact CE2-CB 3.68Å; F28-P55 HydrophobicContact CG-CB 3.86Å; F28-P55 HydrophobicContact CG-CG 4.03Å; F28-P55 HydrophobicContact CZ-CB 3.68Å; F28-P55 HydrophobicContact CZ-CG 4.21Å; K35-P55 HydrophobicContact CG-CG 4.2Å; V39-P55 HydrophobicContact CG2-CG 3.65Å; W53-P55 VanDerWaalsContact CH2-CA 3.47Å; W53-P55 HydrophobicContact CH2-CB 3.6Å; W53-P55 HydrophobicContact CZ2-CB 4.41Å; W53-P55 HydrophobicContact CZ3-CB 3.72Å; W53-P55 HydrophobicContact CZ3-CG 4.4Å; P55-D59 HydrophobicContact CB-CB 4.12Å
56K79.9Confident73.9Confident167 Ų16770.8 Ų70.873%0.72639%0.391SS*.  trans-83.4163.9173-60.6-178.4-179.3-178.70110.8G58 D59K56-G58 PolarHBondContact O-N 2.82Å; K56-D59 WeakPolarHBondContact CA-OD2 3.44Å; K56-D59 WeakPolarHBondContact CB-OD2 3.5Å; K56-D59 PolarHBondContact N-OD2 3Å; K56-D59 WeakPolarHBondContact O-CB 3.29Å; K56-D59 PolarHBondContact O-N 3.22Å
57K73.1Confident74.9Confident217 Ų21773.3 Ų73.394%0.94340%0.4SS*.THydrogen-bonded Turntrans-55.4-18.4-179.5-68.8-175.7178.6-1790115.1
58G73.8Confident75.9Confident50 Ų5074.7 Ų74.752%0.51539%0.394SS..THydrogen-bonded Turntrans-96.5-8.3177.800000115.1K56K56-G58 PolarHBondContact O-N 2.82Å
59D82.3Confident76.9Confident34 Ų3472.2 Ų72.218%0.18239%0.385CS..  trans-73.5140.2-177-76.6-55.7000111.3S6 F28 W53 P55 K56S6-D59 VanDerWaalsContact OG-CB 3.3Å; S6-D59 WeakPolarHBondContact OG-CB 3.39Å; S6-D59 PolarHBondContact OG-OD1 2.75Å; F28-D59 HydrophobicContact CD2-CB 3.99Å; F28-D59 WeakPolarHBondContact CD2-O 3.49Å; F28-D59 HydrophobicContact CE2-CB 3.69Å; W53-D59 HydrophobicContact CH2-CB 4.1Å; W53-D59 WeakPolarHBondContact CZ2-OD2 3.37Å; P55-D59 HydrophobicContact CB-CB 4.12Å; K56-D59 WeakPolarHBondContact CA-OD2 3.44Å; K56-D59 WeakPolarHBondContact CB-OD2 3.5Å; K56-D59 PolarHBondContact N-OD2 3Å; K56-D59 WeakPolarHBondContact O-CB 3.29Å; K56-D59 PolarHBondContact O-N 3.22Å
60V85.6Confident78.2Confident2 Ų271.1 Ų71.11%0.01237%0.371CS..EExtended strand (participates in β ladder)trans-142150.1-176.6-64.40000110.7K3 C4 C5 S6 F25 H26 V27K3-V60 HydrophobicContact CB-CG2 3.98Å; K3-V60 HydrophobicContact CD-CG1 4.09Å; C4-V60 WeakPolarHBondContact O-CG2 3.38Å; C5-V60 CarbonylContact C-O 3.58Å; C5-V60 WeakPolarHBondContact CA-O 3.31Å; S6-V60 PolarHBondContact N-O 2.66Å; S6-V60 PolarHBondContact OG-N 2.96Å; S6-V60 PolarHBondContact OG-O 3.07Å; F25-V60 HydrophobicContact CB-CB 4.46Å; F25-V60 HydrophobicContact CB-CG2 4.37Å; F25-V60 HydrophobicContact CD1-CG2 3.93Å; H26-V60 CarbonylContact O-C 3.54Å; H26-V60 WeakPolarHBondContact O-CA 3.43Å; V27-V60 HydrophobicContact CG2-CG1 4Å
61L86.7Confident79.6Confident0 Ų066.4 Ų66.40%033%0.328CS..EExtended strand (participates in β ladder)trans-109.2140.3170-69.7-177.8000110.6A7 H26 F28 W38 M42 F66 P86A7-L61 HydrophobicContact CB-CD2 3.83Å; H26-L61 PolarHBondContact N-O 3.07Å; H26-L61 PolarHBondContact O-N 3.03Å; F28-L61 HydrophobicContact CE2-CG 4.42Å; F28-L61 HydrophobicContact CZ-CD1 4.39Å; F28-L61 HydrophobicContact CZ-CG 4.2Å; W38-L61 HydrophobicContact CD2-CD1 4.4Å; W38-L61 HydrophobicContact CE3-CD1 3.57Å; W38-L61 HydrophobicContact CE3-CG 4.33Å; W38-L61 HydrophobicContact CZ3-CB 4.29Å; W38-L61 HydrophobicContact CZ3-CD1 3.9Å; W38-L61 HydrophobicContact CZ3-CG 4.35Å; M42-L61 HydrophobicContact CE-CD2 4.21Å; M42-L61 HydrophobicContact CG-CD1 4.49Å; M42-L61 HydrophobicContact SD-CD1 4.08Å; M42-L61 HydrophobicContact SD-CD2 4.01Å; M42-L61 HydrophobicContact SD-CG 4.44Å; L61-F66 HydrophobicContact CB-CE2 3.87Å; L61-F66 HydrophobicContact CB-CZ 4.18Å; L61-F66 HydrophobicContact CD1-CZ 4.14Å; L61-P86 HydrophobicContact CD1-CB 4.12Å; L61-P86 HydrophobicContact CD1-CG 3.84Å
62C85.5Confident80.1Confident0 Ų067.6 Ų67.60%033%0.328CS..EExtended strand (participates in β ladder)trans-83156.7174.275.60000111.6C5 C10 L23 T24 F25 R64 H65C5-C62 HydrophobicContact CB-CB 4.27Å; C5-C62 PolarHBondContact SG-N 3.07Å; C5-C62 VanDerWaalsContact SG-SG 3.69Å; C10-C62 VanDerWaalsContact SG-SG 3.6Å; L23-C62 HydrophobicContact CD1-CB 3.77Å; L23-C62 HydrophobicContact CG-CB 4.27Å; T24-C62 CarbonylContact O-C 3.57Å; T24-C62 WeakPolarHBondContact O-CA 3.46Å; F25-C62 HydrophobicContact CD1-CB 4.12Å; F25-C62 HydrophobicContact CE1-CB 3.93Å; F25-C62 HydrophobicContact CZ-CB 4.44Å; C62-R64 PolarHBondContact O-N 3.11Å; C62-H65 PolarHBondContact O-CD2 3.39Å; C62-H65 PolarHBondContact O-N 3.27Å; C62-H65 VanDerWaalsContact O-N 3.15Å; C62-H65 VanDerWaalsContact SG-CD2 3.56Å
63S84Confident79.9Confident15 Ų1572.2 Ų72.211%0.10534%0.339CS..G310 helixtrans-56.1-19.9179.931.10000115.1T24 H65 F66T24-S63 PolarHBondContact N-OG 3.37Å; T24-S63 PolarHBondContact O-N 2.78Å; T24-S63 PolarHBondContact O-OG 3.42Å; T24-S63 VanDerWaalsContact OG1-CB 3.29Å; T24-S63 WeakPolarHBondContact OG1-CB 3.37Å; T24-S63 PolarHBondContact OG1-OG 3.41Å; S63-H65 PolarHBondContact O-N 3.46Å; S63-H65 VanDerWaalsContact O-N 3.15Å; S63-F66 PolarHBondContact O-N 2.97Å; S63-F66 VanDerWaalsContact O-N 3.13Å
64R82.5Confident79.1Confident146 Ų14677.3 Ų77.355%0.55138%0.377SS*.G310 helixtrans-59.4-24.1175.9-67.217360108.2-0.7113.3L23 C62 F66 I88 D90L23-R64 HydrophobicContact CD1-CG 3.93Å; C62-R64 PolarHBondContact O-N 3.11Å; R64-F66 VanDerWaalsContact C-N 3.31Å; R64-I88 WeakPolarHBondContact O-CB 3.43Å; R64-D90 IonicContact NH2-OD2 2.87Å
65H86.1Confident78.3Confident8 Ų871.9 Ų71.94%0.03736%0.359CS..G310 helixtrans-86.3-3.4-178.2-59.3-63.4000113.9C5 A7 C10 C62 S63 P86 S87 I88 F89C5-H65 VanDerWaalsContact SG-CD2 3.58Å; C5-H65 PolarHBondContact SG-NE2 3.12Å; C5-H65 VanDerWaalsContact SG-NE2 3.4Å; A7-H65 WeakPolarHBondContact CB-CE1 3.36Å; A7-H65 WeakPolarHBondContact CB-NE2 3.34Å; C10-H65 PolarHBondContact SG-NE2 2.85Å; C62-H65 PolarHBondContact O-CD2 3.39Å; C62-H65 PolarHBondContact O-N 3.27Å; C62-H65 VanDerWaalsContact O-N 3.15Å; C62-H65 VanDerWaalsContact SG-CD2 3.56Å; S63-H65 PolarHBondContact O-N 3.46Å; S63-H65 VanDerWaalsContact O-N 3.15Å; H65-P86 HydrophobicContact CB-CB 4.03Å; H65-P86 CarbonylContact O-C 3.54Å; H65-P86 VanDerWaalsContact O-CA 3.3Å; H65-P86 WeakPolarHBondContact O-CA 3.24Å; H65-S87 PolarHBondContact O-N 3.31Å; H65-I88 VanDerWaalsContact CA-O 3.3Å; H65-I88 WeakPolarHBondContact CA-O 3.32Å; H65-I88 PolarHBondContact ND1-O 2.87Å; H65-I88 PolarHBondContact O-N 3.14Å; H65-I88 VanDerWaalsContact O-N 3.14Å; H65-F89 HydrophobicContact CB-CE1 4.37Å; H65-F89 AromaticContact ND1-CD1 3.63Å; H65-F89 AromaticContact ND1-CE1 3.82Å
66F83.8Confident77.4Confident6 Ų677.5 Ų77.53%0.02640%0.395CS..SBendtrans-119.9148.6-177.1-57.7-85000110W38 L61 S63 R64 F71 L80 V84 P86W38-F66 HydrophobicContact CD2-CZ 4.48Å; W38-F66 HydrophobicContact CE3-CZ 4.22Å; W38-F66 AromaticContact CH2-CE1 3.75Å; W38-F66 HydrophobicContact CH2-CE1 3.75Å; W38-F66 HydrophobicContact CH2-CE2 4.3Å; W38-F66 AromaticContact CH2-CZ 3.29Å; W38-F66 HydrophobicContact CH2-CZ 3.29Å; W38-F66 AromaticContact CZ2-CE1 3.52Å; W38-F66 HydrophobicContact CZ2-CE1 3.52Å; W38-F66 AromaticContact CZ2-CZ 3.59Å; W38-F66 HydrophobicContact CZ2-CZ 3.59Å; W38-F66 HydrophobicContact CZ3-CE1 4.4Å; W38-F66 AromaticContact CZ3-CZ 3.64Å; W38-F66 HydrophobicContact CZ3-CZ 3.64Å; L61-F66 HydrophobicContact CB-CE2 3.87Å; L61-F66 HydrophobicContact CB-CZ 4.18Å; L61-F66 HydrophobicContact CD1-CZ 4.14Å; S63-F66 PolarHBondContact O-N 2.97Å; S63-F66 VanDerWaalsContact O-N 3.13Å; R64-F66 VanDerWaalsContact C-N 3.31Å; F66-F71 HydrophobicContact CB-CE1 4.45Å; F66-F71 HydrophobicContact CB-CE2 3.92Å; F66-F71 HydrophobicContact CB-CZ 3.64Å; F66-F71 HydrophobicContact CG-CZ 4.41Å; F66-L80 HydrophobicContact CB-CD2 3.88Å; F66-L80 HydrophobicContact CD1-CD1 3.94Å; F66-L80 HydrophobicContact CD1-CD2 3.66Å; F66-L80 HydrophobicContact CD1-CG 4.48Å; F66-L80 HydrophobicContact CD2-CD1 4.25Å; F66-L80 HydrophobicContact CD2-CD2 4.17Å; F66-L80 HydrophobicContact CE1-CD1 3.63Å; F66-L80 HydrophobicContact CE1-CD2 4.22Å; F66-L80 HydrophobicContact CE2-CD1 3.98Å; F66-L80 HydrophobicContact CG-CD1 4.24Å; F66-L80 HydrophobicContact CG-CD2 3.62Å; F66-L80 HydrophobicContact CZ-CD1 3.66Å; F66-V84 HydrophobicContact CD1-CG1 3.64Å; F66-V84 HydrophobicContact CE1-CG1 4.12Å; F66-P86 HydrophobicContact CD1-CB 4.17Å; F66-P86 HydrophobicContact CE1-CB 3.68Å; F66-P86 HydrophobicContact CE1-CG 4.2Å; F66-P86 HydrophobicContact CE2-CB 4.47Å; F66-P86 HydrophobicContact CZ-CB 3.83Å; F66-P86 HydrophobicContact CZ-CG 4.32Å
67K80.9Confident76.6Confident106 Ų10674.9 Ų74.946%0.46139%0.389SS..  trans-75.3149.6176.5-59.6173.1179.5175.70109T69 D70 F71 I88K67-T69 WeakPolarHBondContact CB-OG1 3.35Å; K67-T69 PolarHBondContact O-N 3.41Å; K67-D70 VanDerWaalsContact CB-OD2 3.28Å; K67-D70 WeakPolarHBondContact CB-OD2 3.28Å; K67-D70 PolarHBondContact N-OD2 3.07Å; K67-D70 WeakPolarHBondContact O-CB 3.38Å; K67-D70 PolarHBondContact O-N 3.12Å; K67-F71 WeakPolarHBondContact O-CD2 3.23Å; K67-F71 VanDerWaalsContact O-CE2 3.23Å; K67-F71 WeakPolarHBondContact O-CE2 3.21Å; K67-I88 HydrophobicContact CG-CD1 4.09Å; K67-I88 HydrophobicContact CG-CG1 4.47Å
68K77.2Confident76.4Confident170 Ų17069.1 Ų69.174%0.73937%0.368SS*.THydrogen-bonded Turntrans-58.3-19.7177-66.4-179.2-178.1177.60113.4
69T76.2Confident76.4Confident96 Ų9673.1 Ų73.159%0.58937%0.371SS*.THydrogen-bonded Turntrans-79.2-19.6177.248.90000114K67 F71 K81K67-T69 WeakPolarHBondContact CB-OG1 3.35Å; K67-T69 PolarHBondContact O-N 3.41Å; T69-F71 VanDerWaalsContact C-N 3.27Å; T69-K81 PolarHBondContact O-NZ 3.37Å
70D80.6Confident76.3Confident32 Ų3273 Ų7317%0.17137%0.37CS..SBendtrans-87-5.7-173.4-52.8-17.9000111.8K67 K81 V84K67-D70 VanDerWaalsContact CB-OD2 3.28Å; K67-D70 WeakPolarHBondContact CB-OD2 3.28Å; K67-D70 PolarHBondContact N-OD2 3.07Å; K67-D70 WeakPolarHBondContact O-CB 3.38Å; K67-D70 PolarHBondContact O-N 3.12Å; D70-K81 PolarHBondContact O-N 2.98Å; D70-V84 HydrophobicContact CB-CB 4.4Å; D70-V84 HydrophobicContact CB-CG1 3.61Å; D70-V84 HydrophobicContact CB-CG2 3.83Å
71F80.8Confident76Confident21 Ų2177.2 Ų77.29%0.09239%0.388CS..EExtended strand (participates in β ladder)trans-94.1136.2176.5-59.7-80.8000111.2H26 F66 K67 T69 R73 I78 K79 L80H26-F71 AromaticContact CE1-CE1 3.95Å; H26-F71 AromaticContact NE2-CE1 3.49Å; H26-F71 WeakPolarHBondContact NE2-CE1 3.37Å; F66-F71 HydrophobicContact CB-CE1 4.45Å; F66-F71 HydrophobicContact CB-CE2 3.92Å; F66-F71 HydrophobicContact CB-CZ 3.64Å; F66-F71 HydrophobicContact CG-CZ 4.41Å; K67-F71 WeakPolarHBondContact O-CD2 3.23Å; K67-F71 VanDerWaalsContact O-CE2 3.23Å; K67-F71 WeakPolarHBondContact O-CE2 3.21Å; T69-F71 VanDerWaalsContact C-N 3.27Å; F71-R73 PolarHBondContact O-N 2.87Å; F71-I78 HydrophobicContact CB-CG2 4Å; F71-I78 HydrophobicContact CD1-CG2 3.34Å; F71-I78 HydrophobicContact CE1-CG2 4.01Å; F71-I78 HydrophobicContact CG-CG2 3.84Å; F71-K79 WeakPolarHBondContact CA-O 3.31Å; F71-L80 HydrophobicContact CD1-CD2 3.64Å; F71-L80 HydrophobicContact CD1-CG 4.32Å; F71-L80 HydrophobicContact CE1-CD2 3.37Å; F71-L80 HydrophobicContact CE1-CG 4.13Å; F71-L80 HydrophobicContact CG-CD2 4.4Å; F71-L80 HydrophobicContact CZ-CD2 3.94Å
72D75.7Confident75.3Confident54 Ų5483.3 Ų83.329%0.28943%0.428SS..EExtended strand (participates in β ladder)trans-79.4109.2169.3-75.8-38.9000109.7S74 K79 K81D72-S74 VanDerWaalsContact C-N 3.3Å; D72-K79 PolarHBondContact N-O 3.22Å; D72-K81 WeakPolarHBondContact OD1-CE 3.28Å; D72-K81 WeakPolarHBondContact OD1-CG 3.45Å; D72-K81 VanDerWaalsContact OD2-CG 3.26Å; D72-K81 WeakPolarHBondContact OD2-CG 3.19Å
73R67.4Low74.7Confident200 Ų20085.4 Ų85.476%0.75545%0.45SS*.THydrogen-bonded Turntrans-82.8-6.6175.6-64.8-176.1-174.9167.33.4113.5F71 A75F71-R73 PolarHBondContact O-N 2.87Å; R73-A75 PolarHBondContact O-N 2.9Å
74S64.2Low74.6Confident126 Ų12685.7 Ų85.788%0.88145%0.451SS*.THydrogen-bonded Turntrans-75.4-13179.2-57.20000113.3D72D72-S74 VanDerWaalsContact C-N 3.3Å
75A60.5Low74.6Confident41 Ų4181.9 Ų81.934%0.33944%0.441SS..SBendtrans-103.9146.2179.300000111.6R73 N77R73-A75 PolarHBondContact O-N 2.9Å; A75-N77 PolarHBondContact O-N 3.16Å; A75-N77 VanDerWaalsContact O-N 3.12Å
76P58.8Low74.4Confident137 Ų13781.6 Ų81.689%0.8944%0.439SS*.SBendtrans-62.4-19.7175.823.3-32.4000113
77N62.8Low74.2Confident112 Ų11284.9 Ų84.960%0.59946%0.463SS*.SBendtrans-107.9124.6170.6-69.9-53.1000109.5A75 K79A75-N77 PolarHBondContact O-N 3.16Å; A75-N77 VanDerWaalsContact O-N 3.12Å; N77-K79 PolarHBondContact O-N 2.91Å
78I68.9Low73.9Confident95 Ų9583 Ų8349%0.48746%0.457SS..  trans-60.6104.9173.8-61.1171.3000108.5T24 F71T24-I78 HydrophobicContact CG2-CB 4.2Å; T24-I78 HydrophobicContact CG2-CD1 4.21Å; T24-I78 HydrophobicContact CG2-CG2 4.43Å; F71-I78 HydrophobicContact CB-CG2 4Å; F71-I78 HydrophobicContact CD1-CG2 3.34Å; F71-I78 HydrophobicContact CE1-CG2 4.01Å; F71-I78 HydrophobicContact CG-CG2 3.84Å
79K74.4Confident73.8Confident135 Ų13577.5 Ų77.559%0.58743%0.434SS*.EExtended strand (participates in β ladder)trans-113.4151.3175.2-73.2-176.7178.6-179.10109.7F71 D72 N77F71-K79 WeakPolarHBondContact CA-O 3.31Å; D72-K79 PolarHBondContact N-O 3.22Å; N77-K79 PolarHBondContact O-N 2.91Å
80L79.7Confident73.2Confident32 Ų3277.5 Ų77.517%0.16843%0.43CS..EExtended strand (participates in β ladder)trans-76.8141.9171.6-68.1167.7000108.9H26 W38 F66 F71 V84H26-L80 HydrophobicContact CB-CD1 3.73Å; W38-L80 HydrophobicContact CH2-CD1 3.56Å; W38-L80 HydrophobicContact CZ2-CD1 3.76Å; F66-L80 HydrophobicContact CB-CD2 3.88Å; F66-L80 HydrophobicContact CD1-CD1 3.94Å; F66-L80 HydrophobicContact CD1-CD2 3.66Å; F66-L80 HydrophobicContact CD1-CG 4.48Å; F66-L80 HydrophobicContact CD2-CD1 4.25Å; F66-L80 HydrophobicContact CD2-CD2 4.17Å; F66-L80 HydrophobicContact CE1-CD1 3.63Å; F66-L80 HydrophobicContact CE1-CD2 4.22Å; F66-L80 HydrophobicContact CE2-CD1 3.98Å; F66-L80 HydrophobicContact CG-CD1 4.24Å; F66-L80 HydrophobicContact CG-CD2 3.62Å; F66-L80 HydrophobicContact CZ-CD1 3.66Å; F71-L80 HydrophobicContact CD1-CD2 3.64Å; F71-L80 HydrophobicContact CD1-CG 4.32Å; F71-L80 HydrophobicContact CE1-CD2 3.37Å; F71-L80 HydrophobicContact CE1-CG 4.13Å; F71-L80 HydrophobicContact CG-CD2 4.4Å; F71-L80 HydrophobicContact CZ-CD2 3.94Å; L80-V84 HydrophobicContact CD2-CG1 4.22Å
81K78.6Confident71.8Confident89 Ų8978.3 Ų78.339%0.38744%0.438SS..PPolyproline II helixtrans-58.9149.7170.1-75.5169-179.5171.30110.6T69 D70 D72 G83 V84T69-K81 PolarHBondContact O-NZ 3.37Å; D70-K81 PolarHBondContact O-N 2.98Å; D72-K81 WeakPolarHBondContact OD1-CE 3.28Å; D72-K81 WeakPolarHBondContact OD1-CG 3.45Å; D72-K81 VanDerWaalsContact OD2-CG 3.26Å; D72-K81 WeakPolarHBondContact OD2-CG 3.19Å; K81-G83 PolarHBondContact O-N 3.44Å; K81-V84 HydrophobicContact CB-CG2 3.6Å; K81-V84 VanDerWaalsContact O-CG2 3.29Å; K81-V84 WeakPolarHBondContact O-CG2 3.29Å; K81-V84 PolarHBondContact O-N 3.27Å
82P72.6Confident70.2Confident128 Ų12881 Ų8183%0.83146%0.458SS*.THydrogen-bonded Turntrans-59.8135.9173.825.6-33000110.2V84P82-V84 PolarHBondContact O-N 2.94Å
83G73.4Confident68.5Low45 Ų4588.4 Ų88.446%0.46448%0.483SS..THydrogen-bonded Turntrans82.9-0.5177.400000116.3K81K81-G83 PolarHBondContact O-N 3.44Å
84V81.8Confident67.7Low20 Ų2087.5 Ų87.512%0.12149%0.487CS..  trans-64.1141.5176.1169.80000111W38 F66 D70 L80 K81 P82W38-V84 PolarHBondContact NE1-O 3Å; F66-V84 HydrophobicContact CD1-CG1 3.64Å; F66-V84 HydrophobicContact CE1-CG1 4.12Å; D70-V84 HydrophobicContact CB-CB 4.4Å; D70-V84 HydrophobicContact CB-CG1 3.61Å; D70-V84 HydrophobicContact CB-CG2 3.83Å; L80-V84 HydrophobicContact CD2-CG1 4.22Å; K81-V84 HydrophobicContact CB-CG2 3.6Å; K81-V84 VanDerWaalsContact O-CG2 3.29Å; K81-V84 WeakPolarHBondContact O-CG2 3.29Å; K81-V84 PolarHBondContact O-N 3.27Å; P82-V84 PolarHBondContact O-N 2.94Å
85I82.2Confident66.9Low66 Ų6688.5 Ų88.534%0.33848%0.482SS..  trans-120.2135177.7-57.2163.1000107.8K37 A41 S87K37-I85 HydrophobicContact CB-CD1 3.93Å; K37-I85 HydrophobicContact CB-CG1 4Å; K37-I85 HydrophobicContact CB-CG2 4.33Å; K37-I85 HydrophobicContact CD-CD1 3.56Å; K37-I85 HydrophobicContact CD-CG1 4.25Å; K37-I85 HydrophobicContact CG-CD1 4.27Å; A41-I85 HydrophobicContact CB-CG2 3.9Å; I85-S87 PolarHBondContact O-N 2.92Å
86P82.9Confident66.2Low2 Ų294 Ų941%0.01350%0.5CS..  trans-62.1130175.127.2-34.2000109.4W38 A41 L61 H65 F66 F89W38-P86 HydrophobicContact CB-CG 4.23Å; W38-P86 HydrophobicContact CD2-CG 4.16Å; W38-P86 VanDerWaalsContact CG-CD 3.46Å; W38-P86 HydrophobicContact CG-CG 4.01Å; A41-P86 HydrophobicContact CB-CG 4.19Å; A41-P86 VanDerWaalsContact CB-O 3.31Å; A41-P86 WeakPolarHBondContact CB-O 3.35Å; L61-P86 HydrophobicContact CD1-CB 4.12Å; L61-P86 HydrophobicContact CD1-CG 3.84Å; H65-P86 HydrophobicContact CB-CB 4.03Å; H65-P86 CarbonylContact O-C 3.54Å; H65-P86 VanDerWaalsContact O-CA 3.3Å; H65-P86 WeakPolarHBondContact O-CA 3.24Å; F66-P86 HydrophobicContact CD1-CB 4.17Å; F66-P86 HydrophobicContact CE1-CB 3.68Å; F66-P86 HydrophobicContact CE1-CG 4.2Å; F66-P86 HydrophobicContact CE2-CB 4.47Å; F66-P86 HydrophobicContact CZ-CB 3.83Å; F66-P86 HydrophobicContact CZ-CG 4.32Å; P86-F89 HydrophobicContact CB-CE2 3.83Å; P86-F89 HydrophobicContact CB-CZ 3.59Å; P86-F89 HydrophobicContact CG-CE2 4.08Å; P86-F89 HydrophobicContact CG-CZ 3.75Å; P86-F89 WeakPolarHBondContact O-CE2 3.28Å
87S79Confident65.3Low76 Ų7691 Ų9153%0.53150%0.495SS..  trans-122.8-12.2-173.6174.90000112.5H65 I85H65-S87 PolarHBondContact O-N 3.31Å; I85-S87 PolarHBondContact O-N 2.92Å
88I74.5Confident64.2Low65 Ų6595 Ų9533%0.33351%0.507SS..  trans-107.3100.9-175.2-53.5173.6000107.5R64 H65 K67R64-I88 WeakPolarHBondContact O-CB 3.43Å; H65-I88 VanDerWaalsContact CA-O 3.3Å; H65-I88 WeakPolarHBondContact CA-O 3.32Å; H65-I88 PolarHBondContact ND1-O 2.87Å; H65-I88 PolarHBondContact O-N 3.14Å; H65-I88 VanDerWaalsContact O-N 3.14Å; K67-I88 HydrophobicContact CG-CD1 4.09Å; K67-I88 HydrophobicContact CG-CG1 4.47Å
89F75.2Confident62.8Low55 Ų55102.1 Ų102.124%0.24153%0.528CS..  trans-124.1121.1171.2-65.9-79.9000107.9A7 A41 M42 H65 P86 S91A7-F89 HydrophobicContact CB-CD1 4.2Å; A7-F89 HydrophobicContact CB-CE1 3.95Å; A41-F89 VanDerWaalsContact C-CE2 3.47Å; A41-F89 HydrophobicContact CB-CE2 3.86Å; A41-F89 HydrophobicContact CB-CZ 4.48Å; A41-F89 VanDerWaalsContact O-CD2 3.28Å; A41-F89 WeakPolarHBondContact O-CD2 3.33Å; A41-F89 WeakPolarHBondContact O-CE2 3.12Å; M42-F89 HydrophobicContact CB-CE1 4.29Å; M42-F89 HydrophobicContact CB-CZ 4.24Å; M42-F89 HydrophobicContact CG-CE1 3.62Å; M42-F89 HydrophobicContact CG-CZ 3.51Å; H65-F89 HydrophobicContact CB-CE1 4.37Å; H65-F89 AromaticContact ND1-CD1 3.63Å; H65-F89 AromaticContact ND1-CE1 3.82Å; P86-F89 HydrophobicContact CB-CE2 3.83Å; P86-F89 HydrophobicContact CB-CZ 3.59Å; P86-F89 HydrophobicContact CG-CE2 4.08Å; P86-F89 HydrophobicContact CG-CZ 3.75Å; P86-F89 WeakPolarHBondContact O-CE2 3.28Å; F89-S91 VanDerWaalsContact C-N 3.3Å; F89-S91 PolarHBondContact O-N 3.45Å
90D62.5Low61.3Low97 Ų97103.6 Ų103.652%0.51954%0.537SS..  trans-7094.9169.7-66.1-32.8000106.2R64R64-D90 IonicContact NH2-OD2 2.87Å
91S52.8Low59.2Low48 Ų48111.8 Ų111.834%0.33657%0.571SS.*  trans-56.9132.2174.6171.60000108.4F89 Y93F89-S91 VanDerWaalsContact C-N 3.3Å; F89-S91 PolarHBondContact O-N 3.45Å; S91-Y93 PolarHBondContact O-N 3.43Å
92P45.7Very low57.4Low77 Ų77115.1 Ų115.150%0.559%0.592SS.*  trans-56.7129.7172.422.6-29.9000107.8H94P92-H94 PolarHBondContact O-N 2.89Å
93Y40.6Very low55.5Low211 Ų211118 Ų11883%0.82759%0.594SS**THydrogen-bonded Turntrans-56.29.5-170-58.1-91.7000116.2S91S91-Y93 PolarHBondContact O-N 3.43Å
94H50.3Low53.5Low181 Ų181120.4 Ų120.484%0.83860%0.603SS**THydrogen-bonded Turntrans-97.80.8-175.3-138.7-74.5000114.7P92P92-H94 PolarHBondContact O-N 2.89Å
95L48.2Very low51.1Low147 Ų147130.9 Ų130.977%0.7764%0.64SS**SBendtrans-122.912.1-179.3-69.4177.7000115.1G97L95-G97 PolarHBondContact O-N 3.35Å
96Q45.2Very low49Very low155 Ų155135.2 Ų135.272%0.72466%0.657SS**  trans-99.588.8175.5-67.5-170.529.100111.2K98Q96-K98 PolarHBondContact O-N 2.95Å
97G39.5Very low46.6Very low76 Ų76142 Ų14278%0.78469%0.693SS**  trans-60.8124.6155.800000110.3L95L95-G97 PolarHBondContact O-N 3.35Å
98K40.5Very low44.5Very low196 Ų196148 Ų14885%0.85271%0.709SS**  trans13.3125.6165.3-83.4177.4172.4174.70118.5Q96Q96-K98 PolarHBondContact O-N 2.95Å
99R39.2Very low42.7Very low244 Ų244149.9 Ų149.992%0.92172%0.724SS**  -161.3143.4107.6-96.9162-163.7-163.34.8110.7
100E44.1Very low40.8Very low165 Ų165155.1 Ų155.177%0.77175%0.754SS**  trans-51.6147.8-163.1-70.5146129.300117
101K34.2Very low39.4Very low205 Ų205159.2 Ų159.289%0.89177%0.767SS**  -148.4117.796.1-75-167.1-176.2175.80110.5H103K101-H103 PolarHBondContact O-N 3.33Å
102L40.6Very low38.7Very low159 Ų159163.5 Ų163.583%0.83279%0.792SS**  trans-59.7122.1167.8-73.9155.1000109.5
103H34Very low38.1Very low187 Ų187165.9 Ų165.987%0.86681%0.805SS**  trans-123.6100.1151.2-145.163.4000108K101 R105K101-H103 PolarHBondContact O-N 3.33Å; H103-R105 PolarHBondContact O-N 3.25Å
104C29.9Very low37.9Very low96 Ų96160.6 Ų160.665%0.64980%0.796SS**  trans-69.6110.2173.3-178.30000108.1K106C104-K106 VanDerWaalsContact SG-CG 3.54Å
105R31.9Very low37.3Very low241 Ų241157 Ų15791%0.90980%0.798SS**  trans-103.4104157.3-160.6174.4-173-179.31.5108.1H103H103-R105 PolarHBondContact O-N 3.25Å
106K37.5Very low36.6Very low157 Ų157154.9 Ų154.968%0.68379%0.791SS**  trans-65.1151.9177.5-59.7178.7176.71760111.1C104C104-K106 VanDerWaalsContact SG-CG 3.54Å
107N33.7Very low36.3Very low145 Ų145153.8 Ų153.878%0.77579%0.79SS**  trans91.199.2154.7-46.9-32.4000117.6
108F34Very low35.9Very low200 Ų200159.9 Ų159.988%0.87779%0.791SS**  -143.8104.6127.1-155-101.2000110.3
109T36.5Very low35.7Very low105 Ų105157.2 Ų157.264%0.64479%0.786SS**  trans-64.9125.6173.1-44.40000109K111T109-K111 PolarHBondContact O-N 3.06Å; T109-K111 VanDerWaalsContact O-N 3.08Å
110L36.7Very low35.6Very low165 Ų165154.6 Ų154.686%0.86478%0.784SS**  trans-63.8107.7167.4-69.1169.5000108.2
111K33.5Very low35Very low183 Ų183154.4 Ų154.480%0.79678%0.783SS**  trans-91.8109.5165.4-73.7-169.9177.7-176.20108.3T109 V113T109-K111 PolarHBondContact O-N 3.06Å; T109-K111 VanDerWaalsContact O-N 3.08Å; K111-V113 PolarHBondContact O-N 3.42Å
112T37.8Very low35.1Very low139 Ų139152.3 Ų152.385%0.85378%0.78SS**  trans-45.4126.4157.2-49.60000109.4
113V33.2Very low34.7Very low127 Ų127150.6 Ų150.677%0.7778%0.776SS**  trans-103.2142.4172.4173.80000108.5K111K111-V113 PolarHBondContact O-N 3.42Å
114P35.5Very low34.6Very low100 Ų100145.2 Ų145.265%0.64977%0.771SS**  trans-79.9151.4-158.2-8.726.9000113.5T116P114-T116 PolarHBondContact O-N 3.37Å
115A38.3Very low34.5Very low106 Ų106145.6 Ų145.688%0.87678%0.781SS**  trans-61.5110.4158.400000109.5
116T33.3Very low34.8Very low102 Ų102138.9 Ų138.963%0.62678%0.777SS**  trans-112.198.7162.145.40000109.4P114P114-T116 PolarHBondContact O-N 3.37Å
117N38.8Very low34.5Very low132 Ų132137 Ų13771%0.70678%0.784SS**  trans-43121.6156.7-152.9-11000110.9
118Y30.6Very low34.2Very low203 Ų203135.7 Ų135.780%0.79679%0.785SS**  trans-124.1113.9161.6-73.8-74.1000109.2
119N35.9Very low34.5Very low141 Ų141133.6 Ų133.675%0.75478%0.781SS**  trans-63.6127.6-174.8-58.9-68.3000111.4H121N119-H121 PolarHBondContact O-N 3.14Å
120H36.8Very low34.5Very low188 Ų188136.6 Ų136.687%0.8779%0.785SS**  trans-79.1107.7167.6-140.5-80.4000108.2
121H32.5Very low34.8Very low162 Ų162136.7 Ų136.775%0.7578%0.781SS**  trans-79.5124.9173.5-173.1-94.4000109.7N119N119-H121 PolarHBondContact O-N 3.14Å
122L36.8Very low34.6Very low161 Ų161137.8 Ų137.884%0.84379%0.786SS**  trans-82.7117.1-179.1-139.2104.8000109.6
123V32.4Very low34.5Very low123 Ų123139.5 Ų139.575%0.74579%0.785SS**  trans-144122153.7179.60000108
124G30.4Very low34.9Very low73 Ų73137.8 Ų137.875%0.75378%0.778SS**  trans-84.3146.517500000112.5
125A29.1Very low35.1Very low105 Ų105141.4 Ų141.487%0.86879%0.786SS**  trans-177.6152.4142.100000108
126A36.8Very low34.9Very low100 Ų100145.1 Ų145.183%0.82678%0.783SS**  trans-63.7168.9-165.900000116.3
127S32.6Very low35.2Very low117 Ų117146.9 Ų146.982%0.81879%0.787SS**  trans86.9108.4160.2-1680000117.1
128C25.9Very low35.4Very low117 Ų117148.8 Ų148.879%0.79179%0.79SS**  160.1122.5101.2-1660000109.9K130C128-K130 PolarHBondContact O-N 3.46Å
129I42.2Very low35.9Very low156 Ų156146 Ų14680%0.878%0.784SS**  trans-66.1121.9166.2-63.6166.9000107.8
130K34.6Very low36.7Very low168 Ų168146.3 Ų146.373%0.7378%0.781SS**  trans176.7132133.2-99.6168.5-176.1-173.50112.9C128C128-K130 PolarHBondContact O-N 3.46Å
131E44.1Very low37.6Very low168 Ų168141 Ų14179%0.78576%0.764SS**  trans47.888.1141.6-67.2170.6146.100117.2
132F29.1Very low38.6Very low205 Ų205142.2 Ų142.290%0.89976%0.764SS**  trans-103.798146.1-99.3-95000108.2S134F132-S134 VanDerWaalsContact C-N 3.27Å; F132-S134 PolarHBondContact O-N 2.72Å
133Q36.2Very low39.4Very low176 Ų176138.9 Ų138.982%0.82275%0.753SS**  trans-54.3100.3156.4-79-175.3-13.600106.6Q135Q133-Q135 PolarHBondContact O-N 2.95Å
134S40.3Very low40.7Very low90 Ų90137.9 Ų137.963%0.62975%0.747SS**  trans-67.797.4168.1-172.90000106.5F132 F136F132-S134 VanDerWaalsContact C-N 3.27Å; F132-S134 PolarHBondContact O-N 2.72Å; S134-F136 PolarHBondContact O-N 3.18Å; S134-F136 WeakPolarHBondContact OG-CD2 3.43Å
135Q39.9Very low42.6Very low177 Ų177141.8 Ų141.883%0.82775%0.748SS**  trans-62.975.8165.6-153.9140.64.900106.6Q133 I137Q133-Q135 PolarHBondContact O-N 2.95Å; Q135-I137 PolarHBondContact O-N 3.44Å
136F35.7Very low44.9Very low183 Ų183138.5 Ų138.580%0.80372%0.716SS**  trans-68.1108176.2-120.6-87.6000106.9S134 F138S134-F136 PolarHBondContact O-N 3.18Å; S134-F136 WeakPolarHBondContact OG-CD2 3.43Å; F136-F138 PolarHBondContact O-N 3.42Å
137I38.9Very low47.3Very low140 Ų140137 Ų13772%0.71870%0.699SS**  trans-52.4105.9174.9-65.8166.9000108.1Q135 E139Q135-I137 PolarHBondContact O-N 3.44Å; I137-E139 VanDerWaalsContact C-N 3.32Å; I137-E139 HydrophobicContact CG2-CB 3.86Å; I137-E139 PolarHBondContact O-N 3.27Å; I137-E139 VanDerWaalsContact O-N 3.17Å
138F43Very low50Low172 Ų172136.4 Ų136.475%0.75469%0.693SS**  trans-80.784.3168.9-169.5-90.3000107.4F136F136-F138 PolarHBondContact O-N 3.42Å
139E40.8Very low52.9Low143 Ų143138.5 Ų138.567%0.66869%0.688SS**  trans-134.1114.7172.9-128171.4175.100109.2I137I137-E139 VanDerWaalsContact C-N 3.32Å; I137-E139 HydrophobicContact CG2-CB 3.86Å; I137-E139 PolarHBondContact O-N 3.27Å; I137-E139 VanDerWaalsContact O-N 3.17Å
140H53.8Low55.2Low149 Ų149136.4 Ų136.469%0.6967%0.674SS**  trans91.843.8174.4-48.181.4000118Y142H140-Y142 PolarHBondContact O-N 2.98Å
141S53.9Low57.9Low75 Ų75131.7 Ų131.752%0.52466%0.656SS.*  trans-9466.1164.9-178.30000112.4
142Y54.7Low60.2Low189 Ų189130.2 Ų130.274%0.74165%0.647SS**  trans-127.3116.1168.3-39.4-87.6000106H140H140-Y142 PolarHBondContact O-N 2.98Å
143S53.3Low63.3Low90 Ų90126.7 Ų126.763%0.62963%0.633SS**SBendcis-159.380.816.6-65.30000110.9
144V59.7Low66.1Low102 Ų102123.1 Ų123.162%0.61862%0.615SS**  trans-10589.4164.3-177.30000107.2D146 L151V144-D146 PolarHBondContact O-N 2.92Å; V144-L151 HydrophobicContact CG1-CD1 3.16Å; V144-L151 HydrophobicContact CG1-CD2 3.99Å; V144-L151 HydrophobicContact CG1-CG 4.02Å
145M70.3Confident68.8Low155 Ų155123.7 Ų123.776%0.76461%0.61SS**  trans-75.5-6-177.3-62.1-66.2141.100112.9
146D77.1Confident71.5Confident36 Ų36118.8 Ų118.819%0.19359%0.589CS.*SBendtrans-100.8138.5-179.5-70.1-49.7000110.6V144 K150 L151 K154V144-D146 PolarHBondContact O-N 2.92Å; D146-K150 HydrophobicContact CB-CB 4.21Å; D146-K150 HydrophobicContact CB-CD 4.13Å; D146-K150 HydrophobicContact CB-CG 4.23Å; D146-K150 VanDerWaalsContact OD1-CD 3.25Å; D146-K150 WeakPolarHBondContact OD1-CD 3.44Å; D146-K150 WeakPolarHBondContact OD1-CE 3.33Å; D146-K150 IonicContact OD1-NZ 2.74Å; D146-K150 PolarHBondContact OD1-NZ 3.28Å; D146-L151 HydrophobicContact CB-CD2 3.79Å; D146-L151 HydrophobicContact CB-CG 3.94Å; D146-K154 IonicContact OD1-NZ 3.31Å; D146-K154 IonicContact OD2-NZ 3.75Å; D146-K154 PolarHBondContact OD2-NZ 3.09Å
147S87.6Confident74.4Confident69 Ų69115.4 Ų115.448%0.48358%0.576SS.*  trans-54145.3170.4174.70000110.5K149 K150 L151S147-K149 PolarHBondContact O-N 3.01Å; S147-K150 WeakPolarHBondContact O-CA 3.33Å; S147-K150 WeakPolarHBondContact O-CB 3.06Å; S147-K150 PolarHBondContact O-N 3.35Å; S147-L151 PolarHBondContact O-N 2.93Å
148P88.6Confident77.2Confident104 Ų104112.8 Ų112.868%0.67557%0.566SS**Hα-helixtrans-48.7-36.5176-30.235.4000114L151 K152P148-L151 PolarHBondContact O-N 3.4Å; P148-K152 PolarHBondContact O-N 3.19Å
149K88.3Confident79.8Confident162 Ų162108.3 Ų108.370%0.70455%0.55SS*.Hα-helixtrans-62.7-42.4175.1-65.7-175.8178.3-1780112.2S147 K152 H153S147-K149 PolarHBondContact O-N 3.01Å; K149-K152 PolarHBondContact O-N 3.02Å; K149-H153 PolarHBondContact O-CD2 2.86Å; K149-H153 PolarHBondContact O-N 3.27Å
150K89.9Confident82.5Confident112 Ų112102.6 Ų102.649%0.48753%0.529SS..Hα-helixtrans-70.3-34.1-179.6-172.9172.7177.2-156.10111.9D146 S147 K154D146-K150 HydrophobicContact CB-CB 4.21Å; D146-K150 HydrophobicContact CB-CD 4.13Å; D146-K150 HydrophobicContact CB-CG 4.23Å; D146-K150 VanDerWaalsContact OD1-CD 3.25Å; D146-K150 WeakPolarHBondContact OD1-CD 3.44Å; D146-K150 WeakPolarHBondContact OD1-CE 3.33Å; D146-K150 IonicContact OD1-NZ 2.74Å; D146-K150 PolarHBondContact OD1-NZ 3.28Å; S147-K150 WeakPolarHBondContact O-CA 3.33Å; S147-K150 WeakPolarHBondContact O-CB 3.06Å; S147-K150 PolarHBondContact O-N 3.35Å; K150-K154 WeakPolarHBondContact O-CG 3.5Å; K150-K154 PolarHBondContact O-N 3.46Å; K150-K154 VanDerWaalsContact O-N 3.08Å
151L89.9Confident84.6Confident68 Ų68100.2 Ų100.236%0.35652%0.518SS..Hα-helixtrans-67.3-43.5171.7-64.6168000111.9V144 D146 S147 P148 H153 K154 L155V144-L151 HydrophobicContact CG1-CD1 3.16Å; V144-L151 HydrophobicContact CG1-CD2 3.99Å; V144-L151 HydrophobicContact CG1-CG 4.02Å; D146-L151 HydrophobicContact CB-CD2 3.79Å; D146-L151 HydrophobicContact CB-CG 3.94Å; S147-L151 PolarHBondContact O-N 2.93Å; P148-L151 PolarHBondContact O-N 3.4Å; L151-H153 VanDerWaalsContact C-N 3.34Å; L151-H153 PolarHBondContact O-N 3.4Å; L151-K154 WeakPolarHBondContact O-CB 3.3Å; L151-K154 PolarHBondContact O-N 3Å; L151-K154 VanDerWaalsContact O-N 3.16Å; L151-L155 PolarHBondContact O-N 3.4Å
152K93.2Very high86.6Confident138 Ų138101.9 Ų101.960%0.652%0.521SS*.Hα-helixtrans-56.7-49.4174.9-176.2-177.9175.1-177.40110.8P148 K149 K154 L155 D156P148-K152 PolarHBondContact O-N 3.19Å; K149-K152 PolarHBondContact O-N 3.02Å; K152-K154 VanDerWaalsContact C-N 3.3Å; K152-K154 PolarHBondContact O-N 2.87Å; K152-L155 WeakPolarHBondContact O-CB 3.3Å; K152-L155 PolarHBondContact O-N 3.47Å; K152-L155 VanDerWaalsContact O-N 3.08Å; K152-D156 VanDerWaalsContact O-CG 3.25Å; K152-D156 PolarHBondContact O-N 3.45Å
153H94.3Very high88.7Confident130 Ų13098.6 Ų98.660%0.60251%0.512SS*.Hα-helixtrans-58.9-38.5176.1-73.9-58.1000113.6K149 L151 H157K149-H153 PolarHBondContact O-CD2 2.86Å; K149-H153 PolarHBondContact O-N 3.27Å; L151-H153 VanDerWaalsContact C-N 3.34Å; L151-H153 PolarHBondContact O-N 3.4Å; H153-H157 VanDerWaalsContact O-CB 3.3Å; H153-H157 WeakPolarHBondContact O-CB 3.21Å; H153-H157 PolarHBondContact O-N 3.13Å
154K95.4Very high90.7Very high101 Ų101100 Ų10044%0.43951%0.512SS..Hα-helixtrans-65.2-40.8174.7-75.9176175-171.20112D146 K150 L151 K152 H157 V158D146-K154 IonicContact OD1-NZ 3.31Å; D146-K154 IonicContact OD2-NZ 3.75Å; D146-K154 PolarHBondContact OD2-NZ 3.09Å; K150-K154 WeakPolarHBondContact O-CG 3.5Å; K150-K154 PolarHBondContact O-N 3.46Å; K150-K154 VanDerWaalsContact O-N 3.08Å; L151-K154 WeakPolarHBondContact O-CB 3.3Å; L151-K154 PolarHBondContact O-N 3Å; L151-K154 VanDerWaalsContact O-N 3.16Å; K152-K154 VanDerWaalsContact C-N 3.3Å; K152-K154 PolarHBondContact O-N 2.87Å; K154-H157 PolarHBondContact O-N 3.15Å; K154-V158 VanDerWaalsContact O-CG2 3.29Å; K154-V158 WeakPolarHBondContact O-CG2 3.49Å; K154-V158 PolarHBondContact O-N 3.12Å
155L96.4Very high92.4Very high103 Ų10399.5 Ų99.554%0.53951%0.51SS..Hα-helixtrans-65.7-47.3177.4-179.2141.5000110.8L151 K152 H157 V158 I159L151-L155 PolarHBondContact O-N 3.4Å; K152-L155 WeakPolarHBondContact O-CB 3.3Å; K152-L155 PolarHBondContact O-N 3.47Å; K152-L155 VanDerWaalsContact O-N 3.08Å; L155-H157 VanDerWaalsContact C-N 3.28Å; L155-H157 PolarHBondContact O-N 2.78Å; L155-V158 PolarHBondContact O-N 2.81Å; L155-I159 HydrophobicContact CD2-CD1 3.43Å; L155-I159 VanDerWaalsContact CD2-CD1 3.43Å; L155-I159 HydrophobicContact CD2-CG1 4.44Å; L155-I159 HydrophobicContact CG-CD1 4.07Å; L155-I159 WeakPolarHBondContact O-CB 3.49Å; L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.12Å; L155-I159 PolarHBondContact O-N 3.04Å
156D96.6Very high93.6Very high73 Ų7397.9 Ų97.939%0.3950%0.499SS..Hα-helixtrans-59.4-40.8176.6-63.7-22.8000111.2K152 I159 G160K152-D156 VanDerWaalsContact O-CG 3.25Å; K152-D156 PolarHBondContact O-N 3.45Å; D156-I159 PolarHBondContact O-N 2.96Å; D156-G160 PolarHBondContact O-N 2.97Å
157H96.7Very high94.6Very high113 Ų113100 Ų10052%0.52351%0.507SS..Hα-helixtrans-63.5-49.2176.3177.156.5000112.6H153 K154 L155 I159 G160 E161H153-H157 VanDerWaalsContact O-CB 3.3Å; H153-H157 WeakPolarHBondContact O-CB 3.21Å; H153-H157 PolarHBondContact O-N 3.13Å; K154-H157 PolarHBondContact O-N 3.15Å; L155-H157 VanDerWaalsContact C-N 3.28Å; L155-H157 PolarHBondContact O-N 2.78Å; H157-I159 VanDerWaalsContact C-N 3.29Å; H157-I159 PolarHBondContact O-N 2.99Å; H157-G160 PolarHBondContact O-N 3.15Å; H157-G160 VanDerWaalsContact O-N 3.15Å; H157-E161 IonicContact CD2-OE2 3.93Å; H157-E161 IonicContact CE1-OE1 3.91Å; H157-E161 IonicContact NE2-OE1 3.65Å; H157-E161 IonicContact NE2-OE2 2.65Å; H157-E161 PolarHBondContact O-N 2.95Å
158V97.2Very high95Very high85 Ų85100.1 Ų100.152%0.51551%0.508SS..Hα-helixtrans-64.3-35.9179.4170.90000111.3K154 L155 L162K154-V158 VanDerWaalsContact O-CG2 3.29Å; K154-V158 WeakPolarHBondContact O-CG2 3.49Å; K154-V158 PolarHBondContact O-N 3.12Å; L155-V158 PolarHBondContact O-N 2.81Å; V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 PolarHBondContact O-N 2.91Å
159I97.1Very high95.3Very high78 Ų78100.1 Ų100.140%0.450%0.502SS..Hα-helixtrans-62.3-47.3172.9-71.3172.1000110.2L155 D156 H157 E161 L162 E163L155-I159 HydrophobicContact CD2-CD1 3.43Å; L155-I159 VanDerWaalsContact CD2-CD1 3.43Å; L155-I159 HydrophobicContact CD2-CG1 4.44Å; L155-I159 HydrophobicContact CG-CD1 4.07Å; L155-I159 WeakPolarHBondContact O-CB 3.49Å; L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.12Å; L155-I159 PolarHBondContact O-N 3.04Å; D156-I159 PolarHBondContact O-N 2.96Å; H157-I159 VanDerWaalsContact C-N 3.29Å; H157-I159 PolarHBondContact O-N 2.99Å; I159-E161 PolarHBondContact O-N 3.2Å; I159-L162 WeakPolarHBondContact O-CB 3.43Å; I159-L162 PolarHBondContact O-N 3.39Å; I159-L162 VanDerWaalsContact O-N 3.15Å; I159-E163 HydrophobicContact CG2-CG 4.44Å; I159-E163 WeakPolarHBondContact O-CG 3.34Å; I159-E163 PolarHBondContact O-N 2.97Å
160G97.9Very high95.6Very high23 Ų2398.3 Ų98.324%0.23749%0.49CS..Hα-helixtrans-58.1-47.3176.500000112.7D156 H157 L162 E163 D164D156-G160 PolarHBondContact O-N 2.97Å; H157-G160 PolarHBondContact O-N 3.15Å; H157-G160 VanDerWaalsContact O-N 3.15Å; G160-L162 VanDerWaalsContact C-N 3.27Å; G160-L162 PolarHBondContact O-N 3.48Å; G160-E163 PolarHBondContact O-N 3.23Å; G160-D164 WeakPolarHBondContact O-CB 3.33Å; G160-D164 PolarHBondContact O-N 2.84Å
161E97.6Very high95.8Very high98 Ų9896 Ų9646%0.45848%0.483SS..Hα-helixtrans-60.5-37176.1-69.2-173.3125.800112.3H157 I159 T165H157-E161 IonicContact CD2-OE2 3.93Å; H157-E161 IonicContact CE1-OE1 3.91Å; H157-E161 IonicContact NE2-OE1 3.65Å; H157-E161 IonicContact NE2-OE2 2.65Å; H157-E161 PolarHBondContact O-N 2.95Å; I159-E161 PolarHBondContact O-N 3.2Å; E161-T165 WeakPolarHBondContact O-CB 3.5Å; E161-T165 WeakPolarHBondContact O-CG2 3.4Å; E161-T165 PolarHBondContact O-N 3.29Å; E161-T165 PolarHBondContact O-OG1 3.42Å
162L97.1Very high96Very high111 Ų11196.7 Ų96.758%0.58149%0.49SS*.Hα-helixtrans-68.9-39.5177.1-174.1140.6000112V158 I159 G160 T165 K166V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 PolarHBondContact O-N 2.91Å; I159-L162 WeakPolarHBondContact O-CB 3.43Å; I159-L162 PolarHBondContact O-N 3.39Å; I159-L162 VanDerWaalsContact O-N 3.15Å; G160-L162 VanDerWaalsContact C-N 3.27Å; G160-L162 PolarHBondContact O-N 3.48Å; L162-T165 WeakPolarHBondContact CA-OG1 3.38Å; L162-T165 PolarHBondContact O-OG1 2.95Å; L162-K166 VanDerWaalsContact O-CB 3.24Å; L162-K166 WeakPolarHBondContact O-CB 3.29Å; L162-K166 PolarHBondContact O-N 2.66Å
163E97.6Very high95.9Very high120 Ų12094.1 Ų94.156%0.56148%0.483SS*.Hα-helixtrans-66.2-45.4175.2-71.8176.7169.400111.4I159 G160 T165 K166 E167I159-E163 HydrophobicContact CG2-CG 4.44Å; I159-E163 WeakPolarHBondContact O-CG 3.34Å; I159-E163 PolarHBondContact O-N 2.97Å; G160-E163 PolarHBondContact O-N 3.23Å; E163-T165 PolarHBondContact O-N 2.92Å; E163-K166 PolarHBondContact O-N 3.28Å; E163-E167 WeakPolarHBondContact O-CB 3.35Å; E163-E167 PolarHBondContact O-N 3.19Å
164D97.2Very high95.7Very high119 Ų11990.7 Ų90.764%0.63647%0.469SS*.Hα-helixtrans-61.3-44.9177.5-73.9-20.1000111.8G160 E167 S168G160-D164 WeakPolarHBondContact O-CB 3.33Å; G160-D164 PolarHBondContact O-N 2.84Å; D164-E167 PolarHBondContact O-N 2.7Å; D164-S168 WeakPolarHBondContact O-CB 3.39Å; D164-S168 PolarHBondContact O-N 3.24Å
165T94.6Very high95.6Very high91 Ų9193.8 Ų93.856%0.55848%0.478SS*.Hα-helixtrans-66.9-39.317851.20000112.1E161 L162 E163 S168 L169E161-T165 WeakPolarHBondContact O-CB 3.5Å; E161-T165 WeakPolarHBondContact O-CG2 3.4Å; E161-T165 PolarHBondContact O-N 3.29Å; E161-T165 PolarHBondContact O-OG1 3.42Å; L162-T165 WeakPolarHBondContact CA-OG1 3.38Å; L162-T165 PolarHBondContact O-OG1 2.95Å; E163-T165 PolarHBondContact O-N 2.92Å; T165-S168 PolarHBondContact O-N 2.99Å; T165-L169 WeakPolarHBondContact O-CB 3.34Å; T165-L169 PolarHBondContact O-N 3.33Å
166K96.1Very high95.4Very high122 Ų12292.7 Ų92.753%0.5347%0.47SS..Hα-helixtrans-62-44.2174.2-179.6-179.4179179.10111.7L162 E163 L169 R170L162-K166 VanDerWaalsContact O-CB 3.24Å; L162-K166 WeakPolarHBondContact O-CB 3.29Å; L162-K166 PolarHBondContact O-N 2.66Å; E163-K166 PolarHBondContact O-N 3.28Å; K166-L169 PolarHBondContact O-N 3.29Å; K166-R170 PolarHBondContact O-N 2.8Å
167E96.7Very high95Very high81 Ų8194 Ų9438%0.37947%0.472SS..Hα-helixtrans-68.1-40178.4-173.951.7-142.400111.3E163 D164 L169 R170 N171E163-E167 WeakPolarHBondContact O-CB 3.35Å; E163-E167 PolarHBondContact O-N 3.19Å; D164-E167 PolarHBondContact O-N 2.7Å; E167-L169 PolarHBondContact O-N 3.4Å; E167-R170 PolarHBondContact O-N 2.88Å; E167-R170 IonicContact OE2-NH1 3.09Å; E167-R170 PolarHBondContact OE2-NH1 2.87Å; E167-N171 WeakPolarHBondContact O-CB 3.18Å; E167-N171 PolarHBondContact O-N 3.33Å; E167-N171 PolarHBondContact O-ND2 3.03Å; E167-N171 PolarHBondContact OE1-ND2 2.72Å
168S96Very high94.7Very high71 Ų7195.6 Ų95.650%0.49747%0.474SS..Hα-helixtrans-58.6-46.5172.2-176.60000112.1D164 T165 R170 N171 V172D164-S168 WeakPolarHBondContact O-CB 3.39Å; D164-S168 PolarHBondContact O-N 3.24Å; T165-S168 PolarHBondContact O-N 2.99Å; S168-R170 PolarHBondContact O-N 3.19Å; S168-N171 WeakPolarHBondContact O-CB 3.5Å; S168-N171 PolarHBondContact O-N 2.87Å; S168-V172 WeakPolarHBondContact O-CG2 3.44Å; S168-V172 PolarHBondContact O-N 3.49Å
169L94.9Very high94.5Very high103 Ų10397.4 Ų97.454%0.53948%0.475SS..Hα-helixtrans-59.7-47.4176.2176.962.2000111.4T165 K166 E167 N171 V172 L173T165-L169 WeakPolarHBondContact O-CB 3.34Å; T165-L169 PolarHBondContact O-N 3.33Å; K166-L169 PolarHBondContact O-N 3.29Å; E167-L169 PolarHBondContact O-N 3.4Å; L169-N171 VanDerWaalsContact C-N 3.3Å; L169-N171 PolarHBondContact O-N 3.42Å; L169-V172 PolarHBondContact O-N 3.21Å; L169-L173 HydrophobicContact CD1-CD1 4.15Å; L169-L173 HydrophobicContact CD1-CG 4.14Å; L169-L173 HydrophobicContact CG-CD1 4.01Å; L169-L173 HydrophobicContact CG-CG 4.41Å; L169-L173 WeakPolarHBondContact O-CG 3.21Å; L169-L173 PolarHBondContact O-N 3.2Å
170R94.6Very high94.1Very high124 Ų12494.3 Ų94.347%0.46846%0.458SS..Hα-helixtrans-56.2-46.2175.8179.8179.5-71.5163-10.6111.4K166 E167 S168 V172 L173 D174K166-R170 PolarHBondContact O-N 2.8Å; E167-R170 PolarHBondContact O-N 2.88Å; E167-R170 IonicContact OE2-NH1 3.09Å; E167-R170 PolarHBondContact OE2-NH1 2.87Å; S168-R170 PolarHBondContact O-N 3.19Å; R170-V172 VanDerWaalsContact C-N 3.35Å; R170-V172 PolarHBondContact O-N 3.41Å; R170-L173 PolarHBondContact O-N 3.5Å; R170-D174 WeakPolarHBondContact O-CB 3.33Å; R170-D174 PolarHBondContact O-N 3.32Å
171N95.2Very high93.7Very high63 Ų63101.1 Ų101.134%0.33748%0.481SS..Hα-helixtrans-61.8-39.6178.1-79.1-59000113.1E167 S168 L169 R175E167-N171 WeakPolarHBondContact O-CB 3.18Å; E167-N171 PolarHBondContact O-N 3.33Å; E167-N171 PolarHBondContact O-ND2 3.03Å; E167-N171 PolarHBondContact OE1-ND2 2.72Å; S168-N171 WeakPolarHBondContact O-CB 3.5Å; S168-N171 PolarHBondContact O-N 2.87Å; L169-N171 VanDerWaalsContact C-N 3.3Å; L169-N171 PolarHBondContact O-N 3.42Å; N171-R175 WeakPolarHBondContact O-CG 3.46Å; N171-R175 PolarHBondContact O-N 3.48Å
172V94.3Very high93.5Very high83 Ų8399.7 Ų99.750%0.50348%0.483SS..Hα-helixtrans-66.1-47.2175.1171.90000110.8S168 L169 R170 D174 R175 E176S168-V172 WeakPolarHBondContact O-CG2 3.44Å; S168-V172 PolarHBondContact O-N 3.49Å; L169-V172 PolarHBondContact O-N 3.21Å; R170-V172 VanDerWaalsContact C-N 3.35Å; R170-V172 PolarHBondContact O-N 3.41Å; V172-D174 VanDerWaalsContact C-N 3.3Å; V172-D174 PolarHBondContact O-N 3.47Å; V172-R175 WeakPolarHBondContact O-CB 3.39Å; V172-R175 PolarHBondContact O-N 3.45Å; V172-E176 PolarHBondContact O-N 3.4Å
173L90.1Very high93.2Very high84 Ų8497.6 Ų97.644%0.4447%0.471SS..Hα-helixtrans-61.1-39.8177.2-68.7174.8000111.8L169 R170 E176 K177L169-L173 HydrophobicContact CD1-CD1 4.15Å; L169-L173 HydrophobicContact CD1-CG 4.14Å; L169-L173 HydrophobicContact CG-CD1 4.01Å; L169-L173 HydrophobicContact CG-CG 4.41Å; L169-L173 WeakPolarHBondContact O-CG 3.21Å; L169-L173 PolarHBondContact O-N 3.2Å; R170-L173 PolarHBondContact O-N 3.5Å; L173-E176 PolarHBondContact O-N 2.93Å; L173-K177 WeakPolarHBondContact O-CB 3.3Å; L173-K177 VanDerWaalsContact O-CG 3.28Å; L173-K177 WeakPolarHBondContact O-CG 3.43Å; L173-K177 PolarHBondContact O-N 2.91Å
174D91.1Very high92.9Very high59 Ų5994.8 Ų94.832%0.31646%0.456SS..Hα-helixtrans-69.3-35.3177-75.7-14.9000112.3R170 V172 R178R170-D174 WeakPolarHBondContact O-CB 3.33Å; R170-D174 PolarHBondContact O-N 3.32Å; V172-D174 VanDerWaalsContact C-N 3.3Å; V172-D174 PolarHBondContact O-N 3.47Å; D174-R178 WeakPolarHBondContact O-CG 3.38Å; D174-R178 PolarHBondContact O-N 3.4Å; D174-R178 PolarHBondContact O-NH1 2.98Å
175R92.6Very high92.7Very high165 Ų16595.1 Ų95.162%0.62345%0.451SS*.Hα-helixtrans-62.5-46171.2-74.6169.1-171.7-163.33.2111N171 V172 R178 F179N171-R175 WeakPolarHBondContact O-CG 3.46Å; N171-R175 PolarHBondContact O-N 3.48Å; V172-R175 WeakPolarHBondContact O-CB 3.39Å; V172-R175 PolarHBondContact O-N 3.45Å; R175-R178 PolarHBondContact O-N 3.31Å; R175-F179 PolarHBondContact O-N 3.01Å
176E91.7Very high92.6Very high80 Ų8093.6 Ų93.637%0.37444%0.442SS..Hα-helixtrans-62.8-46.5178.1-174.256.5-147.600111.2V172 L173 R178 F179 Q180V172-E176 PolarHBondContact O-N 3.4Å; L173-E176 PolarHBondContact O-N 2.93Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.41Å; E176-F179 WeakPolarHBondContact O-CB 3.39Å; E176-F179 PolarHBondContact O-N 2.88Å; E176-F179 VanDerWaalsContact O-N 3.12Å; E176-Q180 WeakPolarHBondContact O-CG 3.37Å; E176-Q180 PolarHBondContact O-N 2.82Å; E176-Q180 PolarHBondContact OE1-NE2 3.19Å
177K89.1Confident92.4Very high101 Ų10188 Ų8844%0.43942%0.418SS..Hα-helixtrans-56.2-42.8174.2-76.1174.5-178.2177.90112.2L173 K181L173-K177 WeakPolarHBondContact O-CB 3.3Å; L173-K177 VanDerWaalsContact O-CG 3.28Å; L173-K177 WeakPolarHBondContact O-CG 3.43Å; L173-K177 PolarHBondContact O-N 2.91Å; K177-K181 WeakPolarHBondContact O-CB 3.4Å; K177-K181 PolarHBondContact O-N 3Å
178R91Very high92.2Very high147 Ų14792.1 Ų92.156%0.55543%0.43SS*.Hα-helixtrans-65.6-43.7176.1-75.2-171-60.3-90.26.3111.9D174 R175 E176 K181 S182D174-R178 WeakPolarHBondContact O-CG 3.38Å; D174-R178 PolarHBondContact O-N 3.4Å; D174-R178 PolarHBondContact O-NH1 2.98Å; R175-R178 PolarHBondContact O-N 3.31Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.41Å; R178-K181 PolarHBondContact O-N 2.95Å; R178-S182 PolarHBondContact O-N 3.28Å
179F91.8Very high92.1Very high123 Ų12392.6 Ų92.654%0.53943%0.425SS..Hα-helixtrans-59.4-49.2176.5176.1-104000111.1R175 E176 K181 S182 L183R175-F179 PolarHBondContact O-N 3.01Å; E176-F179 WeakPolarHBondContact O-CB 3.39Å; E176-F179 PolarHBondContact O-N 2.88Å; E176-F179 VanDerWaalsContact O-N 3.12Å; F179-K181 PolarHBondContact O-N 2.92Å; F179-S182 WeakPolarHBondContact O-CB 3.37Å; F179-S182 PolarHBondContact O-N 3.42Å; F179-S182 VanDerWaalsContact O-N 3.12Å; F179-L183 HydrophobicContact CE1-CD2 4.3Å; F179-L183 WeakPolarHBondContact O-CB 3.17Å; F179-L183 PolarHBondContact O-N 3.03Å
180Q88.3Confident92.1Very high12 Ų1290.6 Ų90.66%0.05641%0.414CS..Hα-helixtrans-62.7-39.5177.9-70.6179.77.600112.9E176 S182 L183 R184 C211E176-Q180 WeakPolarHBondContact O-CG 3.37Å; E176-Q180 PolarHBondContact O-N 2.82Å; E176-Q180 PolarHBondContact OE1-NE2 3.19Å; Q180-S182 VanDerWaalsContact C-N 3.31Å; Q180-S182 PolarHBondContact O-N 2.92Å; Q180-L183 PolarHBondContact O-N 2.71Å; Q180-R184 WeakPolarHBondContact O-CB 3.49Å; Q180-R184 WeakPolarHBondContact O-CG 3.45Å; Q180-R184 PolarHBondContact O-N 2.91Å; Q180-C211 PolarHBondContact NE2-SG 3.05Å; Q180-C211 VanDerWaalsContact NE2-SG 3.39Å
181K89.6Confident92Very high166 Ų16688.2 Ų88.272%0.72241%0.407SS*.Hα-helixtrans-61.6-41.8174-173.7176.4-177.7178.60111.4K177 R178 F179 K185K177-K181 WeakPolarHBondContact O-CB 3.4Å; K177-K181 PolarHBondContact O-N 3Å; R178-K181 PolarHBondContact O-N 2.95Å; F179-K181 PolarHBondContact O-N 2.92Å; K181-K185 PolarHBondContact O-N 3.38Å; K181-K185 VanDerWaalsContact O-N 3.14Å
182S93.4Very high91.9Very high69 Ų6990.9 Ų90.948%0.48342%0.421SS..Hα-helixtrans-64.8-45174.8-166.10000111.5R178 F179 Q180 K185 T186R178-S182 PolarHBondContact O-N 3.28Å; F179-S182 WeakPolarHBondContact O-CB 3.37Å; F179-S182 PolarHBondContact O-N 3.42Å; F179-S182 VanDerWaalsContact O-N 3.12Å; Q180-S182 VanDerWaalsContact C-N 3.31Å; Q180-S182 PolarHBondContact O-N 2.92Å; S182-K185 WeakPolarHBondContact O-CB 3.49Å; S182-K185 PolarHBondContact O-N 3.31Å; S182-K185 VanDerWaalsContact O-N 3.15Å; S182-T186 PolarHBondContact O-N 3.27Å; S182-T186 PolarHBondContact O-OG1 2.59Å
183L91.8Very high91.9Very high66 Ų6693.3 Ų93.335%0.34643%0.427SS..Hα-helixtrans-61.3-46.8179.5-177.760.1000111.5F179 Q180 K185 T186 I187 C208F179-L183 HydrophobicContact CE1-CD2 4.3Å; F179-L183 WeakPolarHBondContact O-CB 3.17Å; F179-L183 PolarHBondContact O-N 3.03Å; Q180-L183 PolarHBondContact O-N 2.71Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 3.38Å; L183-T186 PolarHBondContact O-N 3.36Å; L183-I187 HydrophobicContact CD1-CD1 4.26Å; L183-I187 HydrophobicContact CD1-CG1 4.43Å; L183-I187 HydrophobicContact CG-CD1 3.87Å; L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.16Å; L183-I187 PolarHBondContact O-N 3.39Å; L183-C208 VanDerWaalsContact CD2-SG 3.59Å
184R90.1Very high91.9Very high61 Ų6194.6 Ų94.623%0.2344%0.442CS..Hα-helixtrans-59.1-36.9174.3-73.7-177.9-177.4-829.3112.6Q180 R188 D205 C208 W209Q180-R184 WeakPolarHBondContact O-CB 3.49Å; Q180-R184 WeakPolarHBondContact O-CG 3.45Å; Q180-R184 PolarHBondContact O-N 2.91Å; R184-R188 WeakPolarHBondContact O-CB 3.39Å; R184-R188 PolarHBondContact O-N 3.17Å; R184-R188 VanDerWaalsContact O-N 3.1Å; R184-D205 PolarHBondContact NH1-O 3.01Å; R184-D205 IonicContact NH1-OD1 3.63Å; R184-D205 PolarHBondContact NH1-OD1 3.35Å; R184-C208 HydrophobicContact CG-CB 3.73Å; R184-C208 PolarHBondContact NH2-O 3.04Å; R184-W209 VanDerWaalsContact NH2-CA 3.25Å; R184-W209 VanDerWaalsContact NH2-N 3.15Å
185K92.9Very high92.1Very high126 Ų12697 Ų9755%0.54845%0.454SS..Hα-helixtrans-63.2-49.7175.3-169.3-169.1-179.1-117.20110.3K181 S182 L183 I187 R188 E189K181-K185 PolarHBondContact O-N 3.38Å; K181-K185 VanDerWaalsContact O-N 3.14Å; S182-K185 WeakPolarHBondContact O-CB 3.49Å; S182-K185 PolarHBondContact O-N 3.31Å; S182-K185 VanDerWaalsContact O-N 3.15Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 3.38Å; K185-I187 PolarHBondContact O-N 2.92Å; K185-R188 WeakPolarHBondContact O-CB 3.37Å; K185-R188 PolarHBondContact O-N 2.8Å; K185-E189 WeakPolarHBondContact CE-OE1 3.44Å; K185-E189 IonicContact NZ-OE1 3.75Å; K185-E189 PolarHBondContact NZ-OE1 3.48Å; K185-E189 WeakPolarHBondContact O-CG 3.24Å; K185-E189 PolarHBondContact O-N 3.12Å
186T93.5Very high92.1Very high60 Ų6091.1 Ų91.137%0.36844%0.435SS..Hα-helixtrans-62.9-41.8178.5-55.70000112.3S182 L183 R188 E189 L190S182-T186 PolarHBondContact O-N 3.27Å; S182-T186 PolarHBondContact O-OG1 2.59Å; L183-T186 PolarHBondContact O-N 3.36Å; T186-R188 VanDerWaalsContact C-N 3.26Å; T186-R188 PolarHBondContact O-N 3Å; T186-E189 PolarHBondContact O-N 2.97Å; T186-L190 HydrophobicContact CG2-CD1 4.21Å; T186-L190 HydrophobicContact CG2-CG 4.41Å; T186-L190 VanDerWaalsContact O-CG 3.3Å; T186-L190 WeakPolarHBondContact O-CG 3.29Å; T186-L190 PolarHBondContact O-N 3.19Å
187I92.3Very high92.1Very high5 Ų590.3 Ų90.33%0.02644%0.438CS..Hα-helixtrans-59-41.5175.6-67.7160.1000110.6L183 K185 K191 I196 A201 L204L183-I187 HydrophobicContact CD1-CD1 4.26Å; L183-I187 HydrophobicContact CD1-CG1 4.43Å; L183-I187 HydrophobicContact CG-CD1 3.87Å; L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.16Å; L183-I187 PolarHBondContact O-N 3.39Å; K185-I187 PolarHBondContact O-N 2.92Å; I187-K191 VanDerWaalsContact O-CB 3.31Å; I187-K191 WeakPolarHBondContact O-CB 3.47Å; I187-K191 PolarHBondContact O-N 3.32Å; I187-I196 HydrophobicContact CG2-CD1 4.35Å; I187-A201 HydrophobicContact CG2-CB 4.42Å; I187-L204 HydrophobicContact CD1-CB 3.6Å; I187-L204 HydrophobicContact CG1-CB 4.01Å; I187-L204 HydrophobicContact CG1-CD1 4.26Å; I187-L204 HydrophobicContact CG2-CB 4.33Å
188R91.7Very high92.1Very high166 Ų16690 Ų9063%0.62644%0.438SS*.Hα-helixtrans-65.4-46.8177.3-167.4-176.9-53.5-163.3-0.4112R184 K185 T186 L190 K191 D192R184-R188 WeakPolarHBondContact O-CB 3.39Å; R184-R188 PolarHBondContact O-N 3.17Å; R184-R188 VanDerWaalsContact O-N 3.1Å; K185-R188 WeakPolarHBondContact O-CB 3.37Å; K185-R188 PolarHBondContact O-N 2.8Å; T186-R188 VanDerWaalsContact C-N 3.26Å; T186-R188 PolarHBondContact O-N 3Å; R188-L190 PolarHBondContact O-N 2.81Å; R188-K191 WeakPolarHBondContact O-CB 3.43Å; R188-K191 PolarHBondContact O-N 3.15Å; R188-K191 VanDerWaalsContact O-N 3.14Å; R188-D192 WeakPolarHBondContact O-CB 3.5Å; R188-D192 PolarHBondContact O-N 2.89Å
189E94.9Very high92.1Very high82 Ų8289.8 Ų89.838%0.38344%0.443SS..Hα-helixtrans-57.3-47.8176.3-71167.1175.600111.1K185 T186 K191 D192 E193K185-E189 WeakPolarHBondContact CE-OE1 3.44Å; K185-E189 IonicContact NZ-OE1 3.75Å; K185-E189 PolarHBondContact NZ-OE1 3.48Å; K185-E189 WeakPolarHBondContact O-CG 3.24Å; K185-E189 PolarHBondContact O-N 3.12Å; T186-E189 PolarHBondContact O-N 2.97Å; E189-K191 VanDerWaalsContact C-N 3.29Å; E189-K191 PolarHBondContact O-N 3.01Å; E189-D192 PolarHBondContact O-N 3.31Å; E189-E193 WeakPolarHBondContact O-CG 3.48Å; E189-E193 PolarHBondContact O-N 3.47Å
190L94.1Very high92.1Very high61 Ų6186.7 Ų86.732%0.31944%0.435SS..Hα-helixtrans-62.6-34.5176.6-68.5175.4000113.2T186 R188 C194 L195 I196T186-L190 HydrophobicContact CG2-CD1 4.21Å; T186-L190 HydrophobicContact CG2-CG 4.41Å; T186-L190 VanDerWaalsContact O-CG 3.3Å; T186-L190 WeakPolarHBondContact O-CG 3.29Å; T186-L190 PolarHBondContact O-N 3.19Å; R188-L190 PolarHBondContact O-N 2.81Å; L190-C194 PolarHBondContact O-N 2.91Å; L190-L195 HydrophobicContact CD2-CB 4.35Å; L190-L195 HydrophobicContact CD2-CD1 3.8Å; L190-L195 PolarHBondContact O-N 2.91Å; L190-I196 HydrophobicContact CB-CD1 3.9Å; L190-I196 HydrophobicContact CB-CG1 4.06Å; L190-I196 HydrophobicContact CB-CG2 4.3Å
191K92.5Very high92.1Very high74 Ų7486.1 Ų86.132%0.32243%0.432SS..Hα-helixtrans-70.6-44.3177.3-175.3-170.8178.9-176.60111.2I187 R188 E189 E193 C194 I196 A201I187-K191 VanDerWaalsContact O-CB 3.31Å; I187-K191 WeakPolarHBondContact O-CB 3.47Å; I187-K191 PolarHBondContact O-N 3.32Å; R188-K191 WeakPolarHBondContact O-CB 3.43Å; R188-K191 PolarHBondContact O-N 3.15Å; R188-K191 VanDerWaalsContact O-N 3.14Å; E189-K191 VanDerWaalsContact C-N 3.29Å; E189-K191 PolarHBondContact O-N 3.01Å; K191-E193 VanDerWaalsContact C-N 3.3Å; K191-E193 PolarHBondContact O-N 3.37Å; K191-C194 WeakPolarHBondContact O-CA 3.29Å; K191-C194 PolarHBondContact O-N 3.13Å; K191-I196 HydrophobicContact CB-CD1 4.47Å; K191-I196 HydrophobicContact CB-CG1 4.42Å; K191-A201 HydrophobicContact CB-CB 4.49Å; K191-A201 HydrophobicContact CD-CB 4.18Å; K191-A201 HydrophobicContact CG-CB 4.29Å
192D93.1Very high92Very high118 Ų11882.5 Ų82.563%0.63142%0.42SS*.Hα-helixtrans-66.1-35.7-179.2-67-16000110.9R188 E189 C194R188-D192 WeakPolarHBondContact O-CB 3.5Å; R188-D192 PolarHBondContact O-N 2.89Å; E189-D192 PolarHBondContact O-N 3.31Å; D192-C194 PolarHBondContact O-N 2.84Å
193E95Very high91.8Very high135 Ų13587 Ų8763%0.63143%0.427SS*.THydrogen-bonded Turntrans-77.12.6171.8-66.3-176.3172.500113.7E189 K191 L195E189-E193 WeakPolarHBondContact O-CG 3.48Å; E189-E193 PolarHBondContact O-N 3.47Å; K191-E193 VanDerWaalsContact C-N 3.3Å; K191-E193 PolarHBondContact O-N 3.37Å; E193-L195 HydrophobicContact CB-CD1 4.04Å; E193-L195 HydrophobicContact CB-CG 3.85Å; E193-L195 PolarHBondContact O-N 3.27Å; E193-L195 VanDerWaalsContact O-N 3.13Å; E193-L195 VanDerWaalsContact OE2-CD1 3.27Å; E193-L195 WeakPolarHBondContact OE2-CD1 3.35Å
194C90.5Very high91.7Very high110 Ų11087.4 Ų87.474%0.74343%0.429SS*.THydrogen-bonded Turntrans55.624.8-178.1-60.90000114.3L190 K191 D192 I196L190-C194 PolarHBondContact O-N 2.91Å; K191-C194 WeakPolarHBondContact O-CA 3.29Å; K191-C194 PolarHBondContact O-N 3.13Å; D192-C194 PolarHBondContact O-N 2.84Å; C194-I196 VanDerWaalsContact C-N 3.3Å
195L93.4Very high91.5Very high111 Ų11187 Ų8758%0.58143%0.432SS*.  trans-77.9-17.2179.9-64177.8000112.8L190 E193L190-L195 HydrophobicContact CD2-CB 4.35Å; L190-L195 HydrophobicContact CD2-CD1 3.8Å; L190-L195 PolarHBondContact O-N 2.91Å; E193-L195 HydrophobicContact CB-CD1 4.04Å; E193-L195 HydrophobicContact CB-CG 3.85Å; E193-L195 PolarHBondContact O-N 3.27Å; E193-L195 VanDerWaalsContact O-N 3.13Å; E193-L195 VanDerWaalsContact OE2-CD1 3.27Å; E193-L195 WeakPolarHBondContact OE2-CD1 3.35Å
196I93Very high91.1Very high41 Ų4183.4 Ų83.421%0.2143%0.425CS..SBendtrans-129.4146.4178.662.1173.6000110.8I187 L190 K191 C194 A201 L204I187-I196 HydrophobicContact CG2-CD1 4.35Å; L190-I196 HydrophobicContact CB-CD1 3.9Å; L190-I196 HydrophobicContact CB-CG1 4.06Å; L190-I196 HydrophobicContact CB-CG2 4.3Å; K191-I196 HydrophobicContact CB-CD1 4.47Å; K191-I196 HydrophobicContact CB-CG1 4.42Å; C194-I196 VanDerWaalsContact C-N 3.3Å; I196-A201 HydrophobicContact CD1-CB 3.85Å; I196-A201 HydrophobicContact CG1-CB 4.38Å; I196-L204 HydrophobicContact CD1-CD1 4.45Å
197S92.3Very high90.5Very high63 Ų6387.5 Ų87.544%0.44144%0.438SS..  trans-65.9153.6175.576.60000111.6E199 T200 A201S197-E199 PolarHBondContact O-N 3.41Å; S197-T200 WeakPolarHBondContact CA-OG1 3.47Å; S197-T200 PolarHBondContact N-OG1 3.48Å; S197-T200 PolarHBondContact O-N 3.47Å; S197-T200 VanDerWaalsContact O-N 3.15Å; S197-T200 PolarHBondContact O-OG1 3.01Å; S197-T200 WeakPolarHBondContact OG-CB 3.3Å; S197-T200 WeakPolarHBondContact OG-CG2 3.17Å; S197-T200 PolarHBondContact OG-N 2.98Å; S197-T200 VanDerWaalsContact OG-N 3.11Å; S197-T200 PolarHBondContact OG-OG1 3.15Å; S197-A201 PolarHBondContact O-N 2.93Å
198Q89.7Confident89.9Confident95 Ų9587.3 Ų87.344%0.44444%0.437SS..Hα-helixtrans-58.5-35.2176.1-177.656.279.500112.3N202Q198-N202 PolarHBondContact NE2-OD1 2.9Å; Q198-N202 PolarHBondContact O-N 2.65Å; Q198-N202 VanDerWaalsContact O-N 3.07Å; Q198-N202 PolarHBondContact O-ND2 2.84Å; Q198-N202 PolarHBondContact O-OD1 3.08Å
199E91.2Very high88.7Confident142 Ų14287 Ų8766%0.66444%0.436SS*.Hα-helixtrans-66.8-44.9176.5-174.8173.2171.100111.5S197 A201 N202 R203S197-E199 PolarHBondContact O-N 3.41Å; E199-A201 PolarHBondContact O-N 2.91Å; E199-N202 PolarHBondContact O-N 3.36Å; E199-R203 WeakPolarHBondContact O-CG 3.37Å; E199-R203 PolarHBondContact O-N 3.31Å
200T89.9Confident87Confident58 Ų5890.2 Ų90.236%0.35645%0.451SS..Hα-helixtrans-64.1-39.7176.345.10000112.4S197 R203 L204S197-T200 WeakPolarHBondContact CA-OG1 3.47Å; S197-T200 PolarHBondContact N-OG1 3.48Å; S197-T200 PolarHBondContact O-N 3.47Å; S197-T200 VanDerWaalsContact O-N 3.15Å; S197-T200 PolarHBondContact O-OG1 3.01Å; S197-T200 WeakPolarHBondContact OG-CB 3.3Å; S197-T200 WeakPolarHBondContact OG-CG2 3.17Å; S197-T200 PolarHBondContact OG-N 2.98Å; S197-T200 VanDerWaalsContact OG-N 3.11Å; S197-T200 PolarHBondContact OG-OG1 3.15Å; T200-R203 PolarHBondContact O-N 3.16Å; T200-L204 VanDerWaalsContact O-CG 3.3Å; T200-L204 WeakPolarHBondContact O-CG 3.25Å; T200-L204 PolarHBondContact O-N 2.74Å
201A89.4Confident85Confident0 Ų090.9 Ų90.90%046%0.46CS..Hα-helixtrans-62.1-45.3176.100000111.5I187 K191 I196 S197 E199 R203 L204 D205I187-A201 HydrophobicContact CG2-CB 4.42Å; K191-A201 HydrophobicContact CB-CB 4.49Å; K191-A201 HydrophobicContact CD-CB 4.18Å; K191-A201 HydrophobicContact CG-CB 4.29Å; I196-A201 HydrophobicContact CD1-CB 3.85Å; I196-A201 HydrophobicContact CG1-CB 4.38Å; S197-A201 PolarHBondContact O-N 2.93Å; E199-A201 PolarHBondContact O-N 2.91Å; A201-R203 VanDerWaalsContact C-N 3.33Å; A201-R203 PolarHBondContact O-N 3.08Å; A201-L204 PolarHBondContact O-N 3.42Å; A201-D205 PolarHBondContact O-N 3.08Å
202N87.9Confident83.1Confident89 Ų8989.7 Ų89.748%0.47646%0.46SS..Hα-helixtrans-62.3-39.4178.2-70.8-13.9000112.4Q198 E199 D205 A206Q198-N202 PolarHBondContact NE2-OD1 2.9Å; Q198-N202 PolarHBondContact O-N 2.65Å; Q198-N202 VanDerWaalsContact O-N 3.07Å; Q198-N202 PolarHBondContact O-ND2 2.84Å; Q198-N202 PolarHBondContact O-OD1 3.08Å; E199-N202 PolarHBondContact O-N 3.36Å; N202-D205 PolarHBondContact O-N 3.47Å; N202-A206 PolarHBondContact O-N 2.97Å
203R89.4Confident80.9Confident163 Ų16390.4 Ų90.462%0.61546%0.46SS*.Hα-helixtrans-63.7-44.2175.4-70.1179.173-174.92111.3E199 T200 A201 A206 F207E199-R203 WeakPolarHBondContact O-CG 3.37Å; E199-R203 PolarHBondContact O-N 3.31Å; T200-R203 PolarHBondContact O-N 3.16Å; A201-R203 VanDerWaalsContact C-N 3.33Å; A201-R203 PolarHBondContact O-N 3.08Å; R203-A206 PolarHBondContact O-N 3.42Å; R203-F207 WeakPolarHBondContact O-CD2 3.42Å; R203-F207 PolarHBondContact O-N 3.44Å
204L89.3Confident78.6Confident76 Ų7693 Ų9340%0.39847%0.472SS..Hα-helixtrans-67.6-36.4178.9-67.3170.3000112.6I187 I196 T200 A201 F207 C208I187-L204 HydrophobicContact CD1-CB 3.6Å; I187-L204 HydrophobicContact CG1-CB 4.01Å; I187-L204 HydrophobicContact CG1-CD1 4.26Å; I187-L204 HydrophobicContact CG2-CB 4.33Å; I196-L204 HydrophobicContact CD1-CD1 4.45Å; T200-L204 VanDerWaalsContact O-CG 3.3Å; T200-L204 WeakPolarHBondContact O-CG 3.25Å; T200-L204 PolarHBondContact O-N 2.74Å; A201-L204 PolarHBondContact O-N 3.42Å; L204-F207 PolarHBondContact O-N 3.33Å; L204-C208 PolarHBondContact O-N 3.07Å; L204-C208 PolarHBondContact O-SG 3.46Å
205D85.3Confident76.5Confident53 Ų5390.8 Ų90.828%0.28346%0.457SS..Hα-helixtrans-67.7-34.5174.9-92.9-37.3000112.9R184 A201 N202 C208 W209R184-D205 PolarHBondContact NH1-O 3.01Å; R184-D205 IonicContact NH1-OD1 3.63Å; R184-D205 PolarHBondContact NH1-OD1 3.35Å; A201-D205 PolarHBondContact O-N 3.08Å; N202-D205 PolarHBondContact O-N 3.47Å; D205-C208 WeakPolarHBondContact O-CB 3.35Å; D205-C208 PolarHBondContact O-N 2.81Å; D205-W209 PolarHBondContact O-N 3.2Å
206A84.7Confident74.2Confident49 Ų4991.5 Ų91.541%0.40546%0.461SS..Hα-helixtrans-63-43.8174.700000111.6N202 R203 C208 W209 E210N202-A206 PolarHBondContact O-N 2.97Å; R203-A206 PolarHBondContact O-N 3.42Å; A206-C208 PolarHBondContact O-N 3Å; A206-W209 PolarHBondContact O-N 3.02Å; A206-E210 PolarHBondContact O-N 3Å
207F81.6Confident71.8Confident146 Ų14698.4 Ų98.464%0.6449%0.492SS*.Hα-helixtrans-58.5-30.8173.5-83.4-73.4000113R203 L204 W209R203-F207 WeakPolarHBondContact O-CD2 3.42Å; R203-F207 PolarHBondContact O-N 3.44Å; L204-F207 PolarHBondContact O-N 3.33Å; F207-W209 VanDerWaalsContact C-N 3.35Å
208C79.3Confident69.6Low1 Ų1104 Ų1041%0.00751%0.511CS..THydrogen-bonded Turntrans-80.2-14.1177.5-62.10000113.2L183 R184 L204 D205 A206L183-C208 VanDerWaalsContact CD2-SG 3.59Å; R184-C208 HydrophobicContact CG-CB 3.73Å; R184-C208 PolarHBondContact NH2-O 3.04Å; L204-C208 PolarHBondContact O-N 3.07Å; L204-C208 PolarHBondContact O-SG 3.46Å; D205-C208 WeakPolarHBondContact O-CB 3.35Å; D205-C208 PolarHBondContact O-N 2.81Å; A206-C208 PolarHBondContact O-N 3Å
209W66.9Low67.3Low161 Ų161106.6 Ų106.661%0.6153%0.528SS*.THydrogen-bonded Turntrans-91.5-38.3-175.9-177.7-92.7000112.6R184 D205 A206 F207 C211 C212R184-W209 VanDerWaalsContact NH2-CA 3.25Å; R184-W209 VanDerWaalsContact NH2-N 3.15Å; D205-W209 PolarHBondContact O-N 3.2Å; A206-W209 PolarHBondContact O-N 3.02Å; F207-W209 VanDerWaalsContact C-N 3.35Å; W209-C211 PolarHBondContact O-N 3.17Å; W209-C212 PolarHBondContact O-N 2.77Å; W209-C212 VanDerWaalsContact O-N 3.07Å
210E57.9Low65Low149 Ų149110 Ų11070%0.69654%0.536SS*.THydrogen-bonded Turntrans-60.5-21.4-175.9-72.4179169.600113.9A206A206-E210 PolarHBondContact O-N 3Å
211C53Low62.7Low74 Ų74115.4 Ų115.450%0.556%0.562SS.*THydrogen-bonded Turntrans-87-14.4176.5-75.10000115.9Q180 W209Q180-C211 PolarHBondContact NE2-SG 3.05Å; Q180-C211 VanDerWaalsContact NE2-SG 3.39Å; W209-C211 PolarHBondContact O-N 3.17Å
212C51.7Low60.3Low50 Ų50123.6 Ų123.634%0.33863%0.629SS.*THydrogen-bonded Turntrans-80.5-19.3-175.8-80.20000113.3W209 E214 S215W209-C212 PolarHBondContact O-N 2.77Å; W209-C212 VanDerWaalsContact O-N 3.07Å; C212-E214 PolarHBondContact O-N 3.37Å; C212-S215 PolarHBondContact O-OG 2.89Å
213Q48Very low58.9Low133 Ų133125.4 Ų125.462%0.62164%0.637SS**G310 helixtrans-79.2-18.9-164.8-155.2143-21.500114.3S215Q213-S215 PolarHBondContact O-N 2.87Å
214E45.5Very low57.3Low190 Ų190123.4 Ų123.489%0.88864%0.638SS**G310 helixtrans-78.1-1.1178-69.1-174.3161.400113.8C212C212-E214 PolarHBondContact O-N 3.37Å
215S47.5Very low55.5Low62 Ų62126 Ų12643%0.43465%0.651SS.*G310 helixtrans-100.74.6-174.562.90000116C212 Q213C212-S215 PolarHBondContact O-OG 2.89Å; Q213-S215 PolarHBondContact O-N 2.87Å
216I44.8Very low53.8Low126 Ų126130.3 Ų130.365%0.64667%0.673SS**SBendtrans-104.5-12.9-175.4-60.8179.1000113.6Q218I216-Q218 PolarHBondContact O-N 3.45Å
217E43.5Very low51.9Low186 Ų186135.4 Ų135.487%0.86969%0.69SS**THydrogen-bonded Turntrans-88.85.9-175.7-75.1-167.7166.700116.2
218Q45Very low49.9Very low181 Ų181134.7 Ų134.785%0.84669%0.693SS**THydrogen-bonded Turntrans-98.9-2.1177.4-83-172.4-9.500116.2I216I216-Q218 PolarHBondContact O-N 3.45Å
219D41.7Very low47.8Very low149 Ų149144.2 Ų144.280%0.79774%0.742SS**SBendtrans-99.911.3-179.7-76.1-17.5000114.6
220Y42.6Very low46.3Very low213 Ų213142.9 Ų142.984%0.83575%0.752SS**SBendtrans-114.225.4-175.8-99.5-76.8000116.5
221I42.7Very low45.3Very low173 Ų173142.4 Ų142.489%0.88776%0.757SS**  trans-134.581.1164.6-49.2178.8000108.6
222A38.4Very low44.7Very low172 Ų172148.6 Ų148.6100%1.42178%0.78SS**  trans-102.80159.600000108.8

Retrieved 222 of 222 residues in 44.9 ms (Link to these results)

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