A0A3Q0KGE5_SCHMA Loading...

Innexin AlphaSync

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A3Q0KGE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene inx, Length 624 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
1M47.5Very low60.3Low204 Ų20497.5 Ų97.5100%1.00554%0.536SS*.  0-45.30-135.5175.4-164.900112.1E3 S4 S5M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.44Å; M1-S4 PolarHBondContact O-OG 2.91Å; M1-S5 PolarHBondContact O-OG 3.07Å
2F47.6Very low60.6Low182 Ų182103.2 Ų103.280%0.79854%0.543SS*.Hα-helixtrans-63.4-35.7175.2-145.4-97.2000113.2V6F2-V6 HydrophobicContact CD1-CG2 3.99Å; F2-V6 HydrophobicContact CE1-CG2 4.01Å; F2-V6 WeakPolarHBondContact O-CG2 3.41Å; F2-V6 PolarHBondContact O-N 3.32Å; F2-V6 VanDerWaalsContact O-N 3.15Å
3E59.1Low60.6Low139 Ų139102.1 Ų102.165%0.6554%0.537SS*.Hα-helixtrans-67.1-43.9-177.7-63.7-173.5154.300113.8M1 L7M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.44Å; E3-L7 WeakPolarHBondContact O-CB 3.49Å; E3-L7 PolarHBondContact O-N 3.47Å
4S60.8Low60.3Low62 Ų6296.3 Ų96.343%0.43451%0.509SS..Hα-helixtrans-71.2-37-179.451.10000111.9M1 N8M1-S4 PolarHBondContact O-OG 2.91Å; S4-N8 WeakPolarHBondContact O-CB 3.29Å; S4-N8 PolarHBondContact O-N 3.09Å; S4-N8 PolarHBondContact O-ND2 2.79Å
5S64.7Low60.1Low78 Ų7897 Ų9755%0.54551%0.512SS..Hα-helixtrans-69.4-40.2178.5-63.10000112.9M1 G9M1-S5 PolarHBondContact O-OG 3.07Å; S5-G9 PolarHBondContact O-N 3.15Å
6V66.4Low60Low69 Ų6997.1 Ų97.142%0.41851%0.508SS..Hα-helixtrans-70.8-42.8176.4174.20000110.7F2 G9 L10F2-V6 HydrophobicContact CD1-CG2 3.99Å; F2-V6 HydrophobicContact CE1-CG2 4.01Å; F2-V6 WeakPolarHBondContact O-CG2 3.41Å; F2-V6 PolarHBondContact O-N 3.32Å; F2-V6 VanDerWaalsContact O-N 3.15Å; V6-G9 PolarHBondContact O-N 3.3Å; V6-L10 HydrophobicContact CG1-CD1 3.78Å; V6-L10 HydrophobicContact CG1-CG 4.37Å; V6-L10 WeakPolarHBondContact O-CB 3.39Å; V6-L10 WeakPolarHBondContact O-CG 3.38Å; V6-L10 PolarHBondContact O-N 3.17Å
7L63.7Low59.8Low84 Ų8496.1 Ų96.144%0.4450%0.503SS..Hα-helixtrans-62.6-45.2176.3-16280.5000110.9E3 G9 L10 T11 L46E3-L7 WeakPolarHBondContact O-CB 3.49Å; E3-L7 PolarHBondContact O-N 3.47Å; L7-G9 PolarHBondContact O-N 3.4Å; L7-L10 PolarHBondContact O-N 3.03Å; L7-T11 HydrophobicContact CG-CG2 4.49Å; L7-T11 WeakPolarHBondContact O-CB 3.35Å; L7-T11 WeakPolarHBondContact O-CG2 3.5Å; L7-T11 PolarHBondContact O-N 3.06Å; L7-T11 PolarHBondContact O-OG1 3.31Å; L7-L46 HydrophobicContact CD1-CD1 3.8Å; L7-L46 HydrophobicContact CD1-CD2 4.06Å; L7-L46 HydrophobicContact CD1-CG 4.25Å
8N64Low59.1Low104 Ų10492.3 Ų92.356%0.55649%0.49SS*.Hα-helixtrans-65.7-36.8176.1-70.7-14.4000112.3S4 T11 R12S4-N8 WeakPolarHBondContact O-CB 3.29Å; S4-N8 PolarHBondContact O-N 3.09Å; S4-N8 PolarHBondContact O-ND2 2.79Å; N8-T11 WeakPolarHBondContact CA-OG1 3.29Å; N8-T11 PolarHBondContact O-OG1 3.41Å; N8-T11 VanDerWaalsContact O-OG1 3.13Å; N8-R12 WeakPolarHBondContact O-CB 3.34Å; N8-R12 PolarHBondContact O-N 3.39Å
9G69.2Low58.4Low41 Ų4191.9 Ų91.942%0.42350%0.496SS..Hα-helixtrans-65.1-45.2174.900000111.9S5 V6 L7 L13S5-G9 PolarHBondContact O-N 3.15Å; V6-G9 PolarHBondContact O-N 3.3Å; L7-G9 PolarHBondContact O-N 3.4Å; G9-L13 VanDerWaalsContact O-CB 3.27Å; G9-L13 WeakPolarHBondContact O-CB 3.48Å; G9-L13 PolarHBondContact O-N 3.3Å
10L60.2Low57.9Low57 Ų5790.6 Ų90.630%0.29849%0.494SS..Hα-helixtrans-71.9-38.8178.9-73.9169.4000112.5V6 L7 L13 S14 L46V6-L10 HydrophobicContact CG1-CD1 3.78Å; V6-L10 HydrophobicContact CG1-CG 4.37Å; V6-L10 WeakPolarHBondContact O-CB 3.39Å; V6-L10 WeakPolarHBondContact O-CG 3.38Å; V6-L10 PolarHBondContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 3.03Å; L10-L13 PolarHBondContact O-N 3.34Å; L10-S14 VanDerWaalsContact O-CB 3.25Å; L10-S14 WeakPolarHBondContact O-CB 3.21Å; L10-S14 PolarHBondContact O-N 3Å; L10-S14 PolarHBondContact O-OG 3.27Å; L10-L46 HydrophobicContact CB-CD1 4.4Å; L10-L46 HydrophobicContact CD1-CD1 4.41Å
11T60.3Low57.6Low53 Ų5395.5 Ų95.533%0.32551%0.511SS..Hα-helixtrans-67.6-42.1174.656.20000110.3L7 N8 L13 S14 I15L7-T11 HydrophobicContact CG-CG2 4.49Å; L7-T11 WeakPolarHBondContact O-CB 3.35Å; L7-T11 WeakPolarHBondContact O-CG2 3.5Å; L7-T11 PolarHBondContact O-N 3.06Å; L7-T11 PolarHBondContact O-OG1 3.31Å; N8-T11 WeakPolarHBondContact CA-OG1 3.29Å; N8-T11 PolarHBondContact O-OG1 3.41Å; N8-T11 VanDerWaalsContact O-OG1 3.13Å; T11-L13 PolarHBondContact O-N 3.05Å; T11-S14 PolarHBondContact O-N 2.92Å; T11-I15 VanDerWaalsContact O-CB 3.22Å; T11-I15 WeakPolarHBondContact O-CB 3.46Å; T11-I15 WeakPolarHBondContact O-CD1 3.26Å; T11-I15 WeakPolarHBondContact O-CG1 3.28Å; T11-I15 PolarHBondContact O-N 2.83Å
12R63.2Low58Low165 Ų16588.6 Ų88.662%0.62348%0.482SS*.Hα-helixtrans-64.5-39.6174.3-171.7177.4173.8179.82.5111.9N8 I15 E16N8-R12 WeakPolarHBondContact O-CB 3.34Å; N8-R12 PolarHBondContact O-N 3.39Å; R12-I15 CarbonylContact O-C 3.46Å; R12-I15 PolarHBondContact O-N 3.41Å; R12-E16 HydrophobicContact CG-CG 4.3Å; R12-E16 IonicContact CZ-OE1 3.67Å; R12-E16 IonicContact NE-OE1 2.74Å; R12-E16 PolarHBondContact NE-OE1 3.17Å; R12-E16 IonicContact NH2-OE1 3.96Å; R12-E16 PolarHBondContact NH2-OE1 2.94Å; R12-E16 VanDerWaalsContact O-CB 3.25Å; R12-E16 WeakPolarHBondContact O-CB 3.21Å; R12-E16 VanDerWaalsContact O-CG 3.31Å; R12-E16 WeakPolarHBondContact O-CG 3.43Å; R12-E16 PolarHBondContact O-N 3.48Å
13L60.5Low58.9Low89 Ų8983.8 Ų83.847%0.46646%0.459SS..Hα-helixtrans-66-43.4174.6-160.791.3000110.9G9 L10 T11 I15 E16 I17G9-L13 VanDerWaalsContact O-CB 3.27Å; G9-L13 WeakPolarHBondContact O-CB 3.48Å; G9-L13 PolarHBondContact O-N 3.3Å; L10-L13 PolarHBondContact O-N 3.34Å; T11-L13 PolarHBondContact O-N 3.05Å; L13-I15 VanDerWaalsContact C-N 3.32Å; L13-I15 PolarHBondContact O-N 3.05Å; L13-E16 PolarHBondContact O-N 3.16Å; L13-I17 HydrophobicContact CD2-CD1 3.74Å; L13-I17 HydrophobicContact CG-CD1 3.7Å; L13-I17 HydrophobicContact CG-CG1 4.38Å; L13-I17 WeakPolarHBondContact O-CB 2.9Å; L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L13-I17 PolarHBondContact O-N 3.31Å
14S56.8Low59.7Low21 Ų2178.8 Ų78.815%0.14744%0.438CS..Hα-helixtrans-63.3-41.2176.6-56.70000111.1L10 T11 G18L10-S14 VanDerWaalsContact O-CB 3.25Å; L10-S14 WeakPolarHBondContact O-CB 3.21Å; L10-S14 PolarHBondContact O-N 3Å; L10-S14 PolarHBondContact O-OG 3.27Å; T11-S14 PolarHBondContact O-N 2.92Å; S14-G18 PolarHBondContact O-N 3.01Å
15I57.5Low60.7Low107 Ų10775.9 Ų75.955%0.54942%0.418SS..Hα-helixtrans-70.2-40.9175.8-68.6164.4000110T11 R12 L13 G18 S19T11-I15 VanDerWaalsContact O-CB 3.22Å; T11-I15 WeakPolarHBondContact O-CB 3.46Å; T11-I15 WeakPolarHBondContact O-CD1 3.26Å; T11-I15 WeakPolarHBondContact O-CG1 3.28Å; T11-I15 PolarHBondContact O-N 2.83Å; R12-I15 CarbonylContact O-C 3.46Å; R12-I15 PolarHBondContact O-N 3.41Å; L13-I15 VanDerWaalsContact C-N 3.32Å; L13-I15 PolarHBondContact O-N 3.05Å; I15-G18 CarbonylContact O-C 3.57Å; I15-G18 PolarHBondContact O-N 2.99Å; I15-S19 WeakPolarHBondContact O-CA 3.43Å; I15-S19 WeakPolarHBondContact O-CB 3.34Å; I15-S19 PolarHBondContact O-N 2.97Å
16E59.3Low61.6Low98 Ų9872.5 Ų72.546%0.45839%0.393SS..Hα-helixtrans-72.6-34.1179-78.4178.4-173.500112R12 L13 S20R12-E16 HydrophobicContact CG-CG 4.3Å; R12-E16 IonicContact CZ-OE1 3.67Å; R12-E16 IonicContact NE-OE1 2.74Å; R12-E16 PolarHBondContact NE-OE1 3.17Å; R12-E16 IonicContact NH2-OE1 3.96Å; R12-E16 PolarHBondContact NH2-OE1 2.94Å; R12-E16 VanDerWaalsContact O-CB 3.25Å; R12-E16 WeakPolarHBondContact O-CB 3.21Å; R12-E16 VanDerWaalsContact O-CG 3.31Å; R12-E16 WeakPolarHBondContact O-CG 3.43Å; R12-E16 PolarHBondContact O-N 3.48Å; L13-E16 PolarHBondContact O-N 3.16Å; E16-S20 PolarHBondContact O-N 3.37Å; E16-S20 PolarHBondContact O-OG 2.91Å
17I55.5Low62.6Low81 Ų8169.8 Ų69.842%0.41538%0.377SS..Hα-helixtrans-67.7-40.4171.3-68.3165.4000109.9L13L13-I17 HydrophobicContact CD2-CD1 3.74Å; L13-I17 HydrophobicContact CG-CD1 3.7Å; L13-I17 HydrophobicContact CG-CG1 4.38Å; L13-I17 WeakPolarHBondContact O-CB 2.9Å; L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L13-I17 PolarHBondContact O-N 3.31Å
18G47.8Very low63.7Low27 Ų2772.4 Ų72.428%0.27839%0.385SS..Hα-helixtrans-78.7-29.8177.300000115.1S14 I15 S35S14-G18 PolarHBondContact O-N 3.01Å; I15-G18 CarbonylContact O-C 3.57Å; I15-G18 PolarHBondContact O-N 2.99Å; G18-S35 PolarHBondContact O-OG 3.36Å
19S46.2Very low65Low85 Ų8569 Ų6959%0.59437%0.366SS*.  trans-109.519.6-173.1-163.10000112.1I15 K21I15-S19 WeakPolarHBondContact O-CA 3.43Å; I15-S19 WeakPolarHBondContact O-CB 3.34Å; I15-S19 PolarHBondContact O-N 2.97Å; S19-K21 PolarHBondContact O-N 2.93Å
20S47.8Very low66Low66 Ų6667.1 Ų67.146%0.46235%0.346SS..SBendtrans-59.891158.9-78.40000106.9E16 S22E16-S20 PolarHBondContact O-N 3.37Å; E16-S20 PolarHBondContact O-OG 2.91Å; S20-S22 WeakPolarHBondContact O-CA 3.35Å; S20-S22 PolarHBondContact O-N 3.46Å
21K51.6Low67.4Low194 Ų19466.6 Ų66.684%0.84334%0.34SS*.THydrogen-bonded Turntrans-13.794.1-178.8-155.5175.7-168.71790109S19 R23S19-K21 PolarHBondContact O-N 2.93Å; K21-R23 WeakPolarHBondContact O-CA 3.05Å; K21-R23 PolarHBondContact O-N 3.48Å
22S55.4Low68.9Low58 Ų5865.3 Ų65.341%0.40633%0.331SS..THydrogen-bonded Turntrans-47.9101.2-157.4-174.80000109.4S20 T24 R31S20-S22 WeakPolarHBondContact O-CA 3.35Å; S20-S22 PolarHBondContact O-N 3.46Å; S22-T24 PolarHBondContact O-N 3.25Å; S22-R31 WeakPolarHBondContact OG-CD 3.48Å; S22-R31 VanDerWaalsContact OG-CZ 3.29Å; S22-R31 PolarHBondContact OG-NE 2.93Å; S22-R31 PolarHBondContact OG-NH1 3.13Å
23R67.6Low70.2Confident82 Ų8257.4 Ų57.431%0.30930%0.301SS..  trans-59.5130.5-172.4-68.317155.8103.6-1.6106.7K21 D25 W141K21-R23 WeakPolarHBondContact O-CA 3.05Å; K21-R23 PolarHBondContact O-N 3.48Å; R23-D25 WeakPolarHBondContact CB-OD1 3.4Å; R23-D25 IonicContact CZ-OD2 3.39Å; R23-D25 IonicContact NE-OD1 2.62Å; R23-D25 IonicContact NE-OD2 2.95Å; R23-D25 PolarHBondContact NE-OD2 3.09Å; R23-D25 IonicContact NH2-OD2 2.96Å; R23-D25 PolarHBondContact NH2-OD2 3.38Å; R23-D25 PolarHBondContact O-N 3.42Å; R23-W141 VanDerWaalsContact NH2-CB 3.29Å; R23-W141 VanDerWaalsContact NH2-CG 3.28Å
24T75.7Confident71.5Confident34 Ų3454.4 Ų54.421%0.20929%0.285CS..THydrogen-bonded Turntrans-8019.9-173.149.20000112.3S22 M144 N457S22-T24 PolarHBondContact O-N 3.25Å; T24-M144 WeakPolarHBondContact O-CG 3.49Å; T24-N457 PolarHBondContact O-ND2 2.84Å
25D80.7Confident72.9Confident1 Ų154.3 Ų54.31%0.00528%0.284CS..THydrogen-bonded Turntrans-90.8-1.6177.352.6-5.9000114.1R23 L140 M144 L453R23-D25 WeakPolarHBondContact CB-OD1 3.4Å; R23-D25 IonicContact CZ-OD2 3.39Å; R23-D25 IonicContact NE-OD1 2.62Å; R23-D25 IonicContact NE-OD2 2.95Å; R23-D25 PolarHBondContact NE-OD2 3.09Å; R23-D25 IonicContact NH2-OD2 2.96Å; R23-D25 PolarHBondContact NH2-OD2 3.38Å; R23-D25 PolarHBondContact O-N 3.42Å; D25-L140 HydrophobicContact CB-CD2 3.94Å; D25-L140 HydrophobicContact CB-CG 4.21Å; D25-M144 HydrophobicContact CB-CG 4.26Å; D25-L453 WeakPolarHBondContact O-CD2 3.01Å
26D83.6Confident74.4Confident6 Ų653.6 Ų53.63%0.03228%0.278CS..SBendtrans-128.1156-177.1-63-22.8000112.3D30 R31 H34 W129 N457D26-D30 HydrophobicContact CB-CB 4.09Å; D26-R31 PolarHBondContact O-NE 3.14Å; D26-R31 PolarHBondContact O-NH2 3.37Å; D26-H34 IonicContact OD2-CE1 3.34Å; D26-W129 PolarHBondContact OD1-NE1 3.02Å; D26-N457 PolarHBondContact O-ND2 3.18Å; D26-N457 VanDerWaalsContact O-ND2 3.09Å; D26-N457 PolarHBondContact O-OD1 2.98Å
27D88.2Confident76.1Confident13 Ų1348.9 Ų48.97%0.0726%0.256CS..  trans-73.4159.8174.3-69.9-33.7000112.4I29 D30 R31 Y247 K251 W353 L456D27-I29 PolarHBondContact O-N 3.48Å; D27-D30 PolarHBondContact N-OD2 2.9Å; D27-D30 WeakPolarHBondContact O-CB 3.33Å; D27-D30 PolarHBondContact O-N 2.93Å; D27-R31 WeakPolarHBondContact O-CG 3.35Å; D27-R31 PolarHBondContact O-N 3.49Å; D27-R31 VanDerWaalsContact O-N 3.12Å; D27-Y247 PolarHBondContact OD1-OH 2.71Å; D27-Y247 PolarHBondContact OD2-OH 2.62Å; D27-K251 IonicContact OD2-NZ 3.9Å; D27-K251 PolarHBondContact OD2-NZ 2.87Å; D27-W353 WeakPolarHBondContact OD1-CZ2 3.34Å; D27-W353 VanDerWaalsContact OD2-CZ2 3.23Å; D27-W353 WeakPolarHBondContact OD2-CZ2 3.37Å; D27-W353 PolarHBondContact OD2-NE1 2.92Å; D27-L456 WeakPolarHBondContact OD1-CD1 3.39Å
28F87.5Confident77.8Confident139 Ų13945.4 Ų45.461%0.6124%0.239SC*.Hα-helixtrans-50.2-41.7170.4-178.1-109.1000113.6D30 R31 I32F28-D30 VanDerWaalsContact C-N 3.31Å; F28-D30 PolarHBondContact O-N 3.46Å; F28-R31 WeakPolarHBondContact O-CB 3.43Å; F28-R31 PolarHBondContact O-N 2.94Å; F28-I32 HydrophobicContact CD1-CD1 3.82Å; F28-I32 HydrophobicContact CD1-CG1 4.45Å; F28-I32 HydrophobicContact CE1-CD1 3.39Å; F28-I32 HydrophobicContact CE1-CG1 4.1Å; F28-I32 HydrophobicContact CZ-CD1 3.92Å; F28-I32 HydrophobicContact CZ-CG1 4.21Å; F28-I32 WeakPolarHBondContact O-CG1 3.44Å; F28-I32 PolarHBondContact O-N 3.01Å
29I91.1Very high79.7Confident31 Ų3146.1 Ų46.116%0.15924%0.238CC..Hα-helixtrans-64.1-37178.9-65.2173.2000111.4D27 R31 I32 N33 I345 S349D27-I29 PolarHBondContact O-N 3.48Å; I29-R31 VanDerWaalsContact C-N 3.33Å; I29-R31 PolarHBondContact O-N 2.94Å; I29-I32 WeakPolarHBondContact O-CB 3.43Å; I29-I32 PolarHBondContact O-N 3.4Å; I29-N33 PolarHBondContact O-N 2.86Å; I29-N33 PolarHBondContact O-ND2 3.5Å; I29-I345 HydrophobicContact CB-CG2 4.32Å; I29-I345 HydrophobicContact CD1-CG2 3.96Å; I29-I345 HydrophobicContact CG1-CG2 3.83Å; I29-I345 HydrophobicContact CG2-CG2 3.66Å; I29-S349 WeakPolarHBondContact CD1-OG 3.49Å
30D90.2Very high81.9Confident3 Ų343.4 Ų43.42%0.01622%0.218CC..Hα-helixtrans-68.9-36.9177.8-56.7-37.2000110.9D26 D27 F28 I32 N33 H34 Y247 K251 Y254D26-D30 HydrophobicContact CB-CB 4.09Å; D27-D30 PolarHBondContact N-OD2 2.9Å; D27-D30 WeakPolarHBondContact O-CB 3.33Å; D27-D30 PolarHBondContact O-N 2.93Å; F28-D30 VanDerWaalsContact C-N 3.31Å; F28-D30 PolarHBondContact O-N 3.46Å; D30-I32 VanDerWaalsContact C-N 3.31Å; D30-I32 PolarHBondContact O-N 3.1Å; D30-N33 PolarHBondContact O-N 2.99Å; D30-N33 VanDerWaalsContact O-N 3.16Å; D30-H34 PolarHBondContact O-N 3.39Å; D30-H34 PolarHBondContact O-ND1 3.41Å; D30-Y247 PolarHBondContact OD2-OH 2.99Å; D30-K251 WeakPolarHBondContact OD1-CE 3.38Å; D30-K251 IonicContact OD1-NZ 2.9Å; D30-K251 PolarHBondContact OD1-NZ 3.45Å; D30-K251 WeakPolarHBondContact OD2-CE 3.38Å; D30-K251 IonicContact OD2-NZ 2.63Å; D30-K251 PolarHBondContact OD2-NZ 3.21Å; D30-Y254 HydrophobicContact CB-CE2 4.04Å; D30-Y254 WeakPolarHBondContact OD1-CE2 3.37Å
31R90Very high84.1Confident46 Ų4640.3 Ų40.317%0.17420%0.196CC..Hα-helixtrans-64.2-33.5173.9-59.9171.5-167.6-157.717.7112.3S22 D26 D27 F28 I29 N33 S35 H36 N457S22-R31 WeakPolarHBondContact OG-CD 3.48Å; S22-R31 VanDerWaalsContact OG-CZ 3.29Å; S22-R31 PolarHBondContact OG-NE 2.93Å; S22-R31 PolarHBondContact OG-NH1 3.13Å; D26-R31 PolarHBondContact O-NE 3.14Å; D26-R31 PolarHBondContact O-NH2 3.37Å; D27-R31 WeakPolarHBondContact O-CG 3.35Å; D27-R31 PolarHBondContact O-N 3.49Å; D27-R31 VanDerWaalsContact O-N 3.12Å; F28-R31 WeakPolarHBondContact O-CB 3.43Å; F28-R31 PolarHBondContact O-N 2.94Å; I29-R31 VanDerWaalsContact C-N 3.33Å; I29-R31 PolarHBondContact O-N 2.94Å; R31-N33 VanDerWaalsContact C-N 3.32Å; R31-S35 VanDerWaalsContact O-CB 3.31Å; R31-S35 WeakPolarHBondContact O-CB 3.22Å; R31-S35 PolarHBondContact O-N 2.97Å; R31-S35 VanDerWaalsContact O-N 3.14Å; R31-H36 PolarHBondContact O-N 3.36Å; R31-H36 PolarHBondContact O-ND1 3.31Å; R31-N457 PolarHBondContact NH2-OD1 3Å
32I90.5Very high86Confident25 Ų2533.2 Ų33.213%0.12817%0.166CC..Iπ-helixtrans-63-41.7172.3-68.9171.4000110.6F28 I29 D30 H36 T37 I342F28-I32 HydrophobicContact CD1-CD1 3.82Å; F28-I32 HydrophobicContact CD1-CG1 4.45Å; F28-I32 HydrophobicContact CE1-CD1 3.39Å; F28-I32 HydrophobicContact CE1-CG1 4.1Å; F28-I32 HydrophobicContact CZ-CD1 3.92Å; F28-I32 HydrophobicContact CZ-CG1 4.21Å; F28-I32 WeakPolarHBondContact O-CG1 3.44Å; F28-I32 PolarHBondContact O-N 3.01Å; I29-I32 WeakPolarHBondContact O-CB 3.43Å; I29-I32 PolarHBondContact O-N 3.4Å; D30-I32 VanDerWaalsContact C-N 3.31Å; D30-I32 PolarHBondContact O-N 3.1Å; I32-H36 WeakPolarHBondContact O-CB 3.4Å; I32-H36 PolarHBondContact O-N 3.15Å; I32-T37 PolarHBondContact O-N 3.29Å; I32-T37 PolarHBondContact O-OG1 3.28Å; I32-I342 HydrophobicContact CG2-CD1 3.27Å
33N91.3Very high87.7Confident0 Ų034.7 Ų34.70%017%0.169CC..Iπ-helixtrans-67.8-63.8179.9-70.4-63.1000112.1I29 D30 R31 T37 F122 Y254 I342 N346I29-N33 PolarHBondContact O-N 2.86Å; I29-N33 PolarHBondContact O-ND2 3.5Å; D30-N33 PolarHBondContact O-N 2.99Å; D30-N33 VanDerWaalsContact O-N 3.16Å; R31-N33 VanDerWaalsContact C-N 3.32Å; N33-T37 VanDerWaalsContact O-CB 3.31Å; N33-T37 WeakPolarHBondContact O-CB 3.45Å; N33-F122 HydrophobicContact CB-CD1 4.42Å; N33-Y254 HydrophobicContact CB-CD1 3.56Å; N33-Y254 HydrophobicContact CB-CE1 3.41Å; N33-Y254 VanDerWaalsContact CB-CE1 3.41Å; N33-Y254 HydrophobicContact CB-CG 4.5Å; N33-I342 WeakPolarHBondContact OD1-CG2 3.19Å; N33-N346 PolarHBondContact ND2-OD1 3.37Å; N33-N346 PolarHBondContact OD1-ND2 3.25Å; N33-N346 PolarHBondContact OD1-OD1 3.46Å
34H87.7Confident88.9Confident26 Ų2631.3 Ų31.312%0.1216%0.158CC..Iπ-helixtrans-80-24-168.374.8-91.2000114.2D26 D30 T38 C126D26-H34 IonicContact OD2-CE1 3.34Å; D30-H34 PolarHBondContact O-N 3.39Å; D30-H34 PolarHBondContact O-ND1 3.41Å; H34-T38 VanDerWaalsContact O-CB 3.25Å; H34-T38 WeakPolarHBondContact O-CB 3.44Å; H34-T38 PolarHBondContact O-OG1 2.83Å; H34-C126 HydrophobicContact CB-CB 3.84Å
35S86.1Confident89.7Confident18 Ų1830.3 Ų30.313%0.12615%0.151CC..Iπ-helixtrans-103.2-59.9-179.6172.90000111.5G18 R31 T39G18-S35 PolarHBondContact O-OG 3.36Å; R31-S35 VanDerWaalsContact O-CB 3.31Å; R31-S35 WeakPolarHBondContact O-CB 3.22Å; R31-S35 PolarHBondContact O-N 2.97Å; R31-S35 VanDerWaalsContact O-N 3.14Å; S35-T39 VanDerWaalsContact O-CB 3.3Å; S35-T39 WeakPolarHBondContact O-CB 3.31Å; S35-T39 PolarHBondContact O-N 3.49Å; S35-T39 PolarHBondContact O-OG1 3.34Å
36H89.4Confident90.1Very high92 Ų9233.1 Ų33.143%0.42617%0.166SC..Iπ-helixtrans-69.5-48.1-173.6-61.973.5000112.4R31 I32 T39 V40R31-H36 PolarHBondContact O-N 3.36Å; R31-H36 PolarHBondContact O-ND1 3.31Å; I32-H36 WeakPolarHBondContact O-CB 3.4Å; I32-H36 PolarHBondContact O-N 3.15Å; H36-T39 WeakPolarHBondContact O-CB 3.44Å; H36-T39 PolarHBondContact O-N 2.89Å; H36-V40 WeakPolarHBondContact O-CG2 3.12Å; H36-V40 PolarHBondContact O-N 3.46Å
37T93.3Very high90.4Very high0 Ų036.7 Ų36.70%018%0.184CC..Iπ-helixtrans-66.7-41.4-178.8-56.60000111.4I32 N33 T39 V40 L41 F122 W338I32-T37 PolarHBondContact O-N 3.29Å; I32-T37 PolarHBondContact O-OG1 3.28Å; N33-T37 VanDerWaalsContact O-CB 3.31Å; N33-T37 WeakPolarHBondContact O-CB 3.45Å; T37-T39 VanDerWaalsContact C-N 3.32Å; T37-T39 PolarHBondContact O-N 3.36Å; T37-V40 PolarHBondContact O-N 3.31Å; T37-L41 HydrophobicContact CG2-CD1 4.1Å; T37-L41 HydrophobicContact CG2-CG 4.47Å; T37-L41 WeakPolarHBondContact O-CB 3.39Å; T37-L41 WeakPolarHBondContact O-CG 3.06Å; T37-L41 PolarHBondContact O-N 3.32Å; T37-F122 HydrophobicContact CG2-CD1 4.15Å; T37-F122 HydrophobicContact CG2-CD2 3.82Å; T37-F122 HydrophobicContact CG2-CE1 4.07Å; T37-F122 HydrophobicContact CG2-CE2 3.71Å; T37-F122 HydrophobicContact CG2-CG 4.05Å; T37-F122 HydrophobicContact CG2-CZ 3.86Å; T37-W338 PolarHBondContact OG1-NE1 3.37Å
38T91.8Very high90.5Very high8 Ų836.2 Ų36.25%0.04918%0.182CC..Hα-helixtrans-57.2-45.8171.2-53.60000111.1H34 L41 M42 A119H34-T38 VanDerWaalsContact O-CB 3.25Å; H34-T38 WeakPolarHBondContact O-CB 3.44Å; H34-T38 PolarHBondContact O-OG1 2.83Å; T38-L41 PolarHBondContact O-N 3.48Å; T38-M42 HydrophobicContact CG2-CG 4.46Å; T38-M42 WeakPolarHBondContact O-CB 3.34Å; T38-M42 VanDerWaalsContact O-CG 3.24Å; T38-M42 WeakPolarHBondContact O-CG 3.42Å; T38-M42 PolarHBondContact O-N 2.89Å; T38-A119 HydrophobicContact CG2-CB 4.17Å
39T89Confident90.7Very high41 Ų4133.5 Ų33.525%0.25217%0.172SC..Hα-helixtrans-62.4-45178.1-580000111.8S35 H36 T37 L41 M42 I43S35-T39 VanDerWaalsContact O-CB 3.3Å; S35-T39 WeakPolarHBondContact O-CB 3.31Å; S35-T39 PolarHBondContact O-N 3.49Å; S35-T39 PolarHBondContact O-OG1 3.34Å; H36-T39 WeakPolarHBondContact O-CB 3.44Å; H36-T39 PolarHBondContact O-N 2.89Å; T37-T39 VanDerWaalsContact C-N 3.32Å; T37-T39 PolarHBondContact O-N 3.36Å; T39-L41 PolarHBondContact O-N 2.83Å; T39-M42 PolarHBondContact O-N 3.26Å; T39-I43 HydrophobicContact CG2-CD1 3.93Å; T39-I43 VanDerWaalsContact O-CG1 3.28Å; T39-I43 WeakPolarHBondContact O-CG1 3.46Å; T39-I43 PolarHBondContact O-N 3.43Å
40V92Very high90.5Very high29 Ų2933.2 Ų33.218%0.17618%0.177CC..Hα-helixtrans-59.8-46.9176.4169.70000111.1H36 T37 M42 I43 C44 F334 W338H36-V40 WeakPolarHBondContact O-CG2 3.12Å; H36-V40 PolarHBondContact O-N 3.46Å; T37-V40 PolarHBondContact O-N 3.31Å; V40-M42 VanDerWaalsContact C-N 3.35Å; V40-M42 PolarHBondContact O-N 3.45Å; V40-I43 PolarHBondContact O-N 3.12Å; V40-C44 PolarHBondContact O-N 2.85Å; V40-C44 PolarHBondContact O-SG 3.5Å; V40-C44 VanDerWaalsContact O-SG 3.36Å; V40-F334 HydrophobicContact CG1-CE1 3.71Å; V40-F334 HydrophobicContact CG1-CZ 4.14Å; V40-W338 HydrophobicContact CG2-CH2 4.08Å; V40-W338 HydrophobicContact CG2-CZ2 3.88Å
41L93.5Very high90.4Very high1 Ų139.3 Ų39.31%0.00520%0.199CC..Hα-helixtrans-63.6-39177.7-71.3169.9000112.3T37 T38 T39 C44 T45 L115 Q118 A119 F122 L335T37-L41 HydrophobicContact CG2-CD1 4.1Å; T37-L41 HydrophobicContact CG2-CG 4.47Å; T37-L41 WeakPolarHBondContact O-CB 3.39Å; T37-L41 WeakPolarHBondContact O-CG 3.06Å; T37-L41 PolarHBondContact O-N 3.32Å; T38-L41 PolarHBondContact O-N 3.48Å; T39-L41 PolarHBondContact O-N 2.83Å; L41-C44 PolarHBondContact O-N 2.98Å; L41-T45 WeakPolarHBondContact O-CB 3.2Å; L41-T45 PolarHBondContact O-N 3.45Å; L41-T45 PolarHBondContact O-OG1 3.48Å; L41-L115 HydrophobicContact CD2-CD2 4.11Å; L41-Q118 HydrophobicContact CD1-CB 4.04Å; L41-A119 HydrophobicContact CB-CB 3.91Å; L41-A119 HydrophobicContact CD1-CB 4.27Å; L41-F122 HydrophobicContact CD1-CD2 3.67Å; L41-F122 HydrophobicContact CD1-CE2 4.01Å; L41-L335 HydrophobicContact CD2-CD1 4.35Å; L41-L335 HydrophobicContact CD2-CD2 3.75Å
42M91.3Very high90.2Very high44 Ų4439.1 Ų39.122%0.21720%0.2CC..Hα-helixtrans-66-39.9175.9-72.2-57.8-63.600112.1T38 T39 V40 T45 L46 A119T38-M42 HydrophobicContact CG2-CG 4.46Å; T38-M42 WeakPolarHBondContact O-CB 3.34Å; T38-M42 VanDerWaalsContact O-CG 3.24Å; T38-M42 WeakPolarHBondContact O-CG 3.42Å; T38-M42 PolarHBondContact O-N 2.89Å; T39-M42 PolarHBondContact O-N 3.26Å; V40-M42 VanDerWaalsContact C-N 3.35Å; V40-M42 PolarHBondContact O-N 3.45Å; M42-T45 WeakPolarHBondContact O-CB 3.16Å; M42-T45 PolarHBondContact O-N 3.25Å; M42-L46 WeakPolarHBondContact O-CB 3.49Å; M42-L46 PolarHBondContact O-N 3.37Å; M42-A119 HydrophobicContact CG-CB 4.34Å; M42-A119 HydrophobicContact SD-CB 4.1Å
43I91.4Very high90Very high90 Ų9045 Ų4546%0.46223%0.225SC..Hα-helixtrans-63.5-46.9173.9-68.1165.7000110.4T39 V40 T45 L46 I47T39-I43 HydrophobicContact CG2-CD1 3.93Å; T39-I43 VanDerWaalsContact O-CG1 3.28Å; T39-I43 WeakPolarHBondContact O-CG1 3.46Å; T39-I43 PolarHBondContact O-N 3.43Å; V40-I43 PolarHBondContact O-N 3.12Å; I43-T45 VanDerWaalsContact C-N 3.3Å; I43-T45 PolarHBondContact O-N 2.9Å; I43-L46 PolarHBondContact O-N 2.87Å; I43-I47 HydrophobicContact CG2-CD1 3.94Å; I43-I47 WeakPolarHBondContact O-CG1 3.46Å; I43-I47 PolarHBondContact O-N 2.62Å
44C92.1Very high89.6Confident11 Ų1151.1 Ų51.17%0.07426%0.257CS..Hα-helixtrans-59.1-42.2175.6-69.60000111.9V40 L41 L46 I47 I48 L115 I331V40-C44 PolarHBondContact O-N 2.85Å; V40-C44 PolarHBondContact O-SG 3.5Å; V40-C44 VanDerWaalsContact O-SG 3.36Å; L41-C44 PolarHBondContact O-N 2.98Å; C44-L46 VanDerWaalsContact C-N 3.34Å; C44-L46 PolarHBondContact O-N 3.41Å; C44-I47 PolarHBondContact O-N 2.91Å; C44-I48 WeakPolarHBondContact O-CG1 3.29Å; C44-I48 PolarHBondContact O-N 2.83Å; C44-I48 VanDerWaalsContact O-N 3.08Å; C44-L115 HydrophobicContact CB-CD1 4.09Å; C44-I331 HydrophobicContact CB-CG2 4.18Å
45T92.1Very high89.2Confident13 Ų1351.4 Ų51.48%0.0827%0.267CS..Hα-helixtrans-59.2-46.1175.8-56.10000110.9L41 M42 I43 I47 I48 M49 P112 L115L41-T45 WeakPolarHBondContact O-CB 3.2Å; L41-T45 PolarHBondContact O-N 3.45Å; L41-T45 PolarHBondContact O-OG1 3.48Å; M42-T45 WeakPolarHBondContact O-CB 3.16Å; M42-T45 PolarHBondContact O-N 3.25Å; I43-T45 VanDerWaalsContact C-N 3.3Å; I43-T45 PolarHBondContact O-N 2.9Å; T45-I47 PolarHBondContact O-N 3.39Å; T45-I48 PolarHBondContact O-N 3.31Å; T45-M49 WeakPolarHBondContact O-CB 3.36Å; T45-M49 PolarHBondContact O-N 2.85Å; T45-P112 HydrophobicContact CG2-CB 4.32Å; T45-L115 WeakPolarHBondContact OG1-CB 3.16Å
46L90.3Very high89.2Confident60 Ų6059 Ų5931%0.31430%0.297SS..Hα-helixtrans-64.5-38.1179.5-175.7135.8000112.5L7 L10 M42 I43 C44 G50L7-L46 HydrophobicContact CD1-CD1 3.8Å; L7-L46 HydrophobicContact CD1-CD2 4.06Å; L7-L46 HydrophobicContact CD1-CG 4.25Å; L10-L46 HydrophobicContact CB-CD1 4.4Å; L10-L46 HydrophobicContact CD1-CD1 4.41Å; M42-L46 WeakPolarHBondContact O-CB 3.49Å; M42-L46 PolarHBondContact O-N 3.37Å; I43-L46 PolarHBondContact O-N 2.87Å; C44-L46 VanDerWaalsContact C-N 3.34Å; C44-L46 PolarHBondContact O-N 3.41Å; L46-G50 PolarHBondContact O-N 3.15Å
47I90.1Very high89.2Confident81 Ų8155.6 Ų55.642%0.41528%0.284SS..Hα-helixtrans-63.7-47.8175.7-67.9166.1000111I43 C44 T45 G50 R51 I331I43-I47 HydrophobicContact CG2-CD1 3.94Å; I43-I47 WeakPolarHBondContact O-CG1 3.46Å; I43-I47 PolarHBondContact O-N 2.62Å; C44-I47 PolarHBondContact O-N 2.91Å; T45-I47 PolarHBondContact O-N 3.39Å; I47-G50 PolarHBondContact O-N 3.36Å; I47-R51 PolarHBondContact O-N 2.94Å; I47-R51 VanDerWaalsContact O-N 3.15Å; I47-I331 HydrophobicContact CG2-CD1 4.38Å
48I90.8Very high89.1Confident2 Ų255.7 Ų55.71%0.0128%0.284CS..Hα-helixtrans-66.7-44.7-179.7-62.9176.9000110.2C44 T45 G50 R51 Q52 V111 P112 L115 I324 I331C44-I48 WeakPolarHBondContact O-CG1 3.29Å; C44-I48 PolarHBondContact O-N 2.83Å; C44-I48 VanDerWaalsContact O-N 3.08Å; T45-I48 PolarHBondContact O-N 3.31Å; I48-G50 PolarHBondContact O-N 3.4Å; I48-R51 PolarHBondContact O-N 3.13Å; I48-R51 VanDerWaalsContact O-N 3.17Å; I48-Q52 PolarHBondContact O-N 3.3Å; I48-V111 HydrophobicContact CD1-CG1 3.51Å; I48-P112 HydrophobicContact CG2-CG 3.87Å; I48-L115 HydrophobicContact CD1-CD1 3.64Å; I48-I324 HydrophobicContact CG2-CD1 4.27Å; I48-I331 HydrophobicContact CD1-CD1 3.75Å; I48-I331 HydrophobicContact CD1-CG2 4.37Å; I48-I331 HydrophobicContact CG1-CD1 3.47Å; I48-I331 VanDerWaalsContact CG1-CD1 3.47Å
49M90.4Very high89.2Confident83 Ų8358 Ų5841%0.40930%0.304SS..Hα-helixtrans-60.7-45177.5-167.3173.7-176.100111T45 R51 Q52 F53T45-M49 WeakPolarHBondContact O-CB 3.36Å; T45-M49 PolarHBondContact O-N 2.85Å; M49-R51 VanDerWaalsContact C-N 3.28Å; M49-R51 PolarHBondContact O-N 2.59Å; M49-Q52 PolarHBondContact O-N 3.06Å; M49-F53 HydrophobicContact CE-CD2 4.02Å; M49-F53 HydrophobicContact CE-CE2 3.36Å; M49-F53 HydrophobicContact CE-CZ 4.02Å; M49-F53 HydrophobicContact CG-CD2 3.51Å; M49-F53 HydrophobicContact CG-CE2 3.49Å; M49-F53 VanDerWaalsContact CG-CE2 3.49Å; M49-F53 VanDerWaalsContact O-CD2 3.3Å; M49-F53 WeakPolarHBondContact O-CD2 3.2Å; M49-F53 PolarHBondContact O-N 2.96Å; M49-F53 HydrophobicContact SD-CE2 4.28Å
50G88Confident89.5Confident25 Ų2556.8 Ų56.826%0.25830%0.297SS..Hα-helixtrans-56.2-41.717500000112.5L46 I47 I48 Q52 I54L46-G50 PolarHBondContact O-N 3.15Å; I47-G50 PolarHBondContact O-N 3.36Å; I48-G50 PolarHBondContact O-N 3.4Å; G50-Q52 VanDerWaalsContact C-N 3.34Å; G50-Q52 PolarHBondContact O-N 2.81Å; G50-I54 VanDerWaalsContact O-CB 3.25Å; G50-I54 WeakPolarHBondContact O-CB 3.47Å; G50-I54 WeakPolarHBondContact O-CG1 3.35Å; G50-I54 PolarHBondContact O-N 3.49Å
51R87.8Confident89.6Confident131 Ų13164.6 Ų64.649%0.49432%0.324SS..Hα-helixtrans-68.8-29.7175.5-74.3-67.3-174.3170.4-3113.8I47 I48 M49 G55 F327I47-R51 PolarHBondContact O-N 2.94Å; I47-R51 VanDerWaalsContact O-N 3.15Å; I48-R51 PolarHBondContact O-N 3.13Å; I48-R51 VanDerWaalsContact O-N 3.17Å; M49-R51 VanDerWaalsContact C-N 3.28Å; M49-R51 PolarHBondContact O-N 2.59Å; R51-G55 WeakPolarHBondContact O-CA 3.44Å; R51-G55 PolarHBondContact O-N 3.37Å; R51-F327 HydrophobicContact CG-CD2 4.44Å; R51-F327 HydrophobicContact CG-CE2 4.47Å; R51-F327 VanDerWaalsContact NH2-CZ 3.28Å
52Q86.2Confident89.6Confident41 Ų4165.5 Ų65.519%0.19233%0.329CS..Hα-helixtrans-78.6-31.4179.5-171.2169.9-6.200113.3I48 M49 G50 W79I48-Q52 PolarHBondContact O-N 3.3Å; M49-Q52 PolarHBondContact O-N 3.06Å; G50-Q52 VanDerWaalsContact C-N 3.34Å; G50-Q52 PolarHBondContact O-N 2.81Å; Q52-W79 HydrophobicContact CG-CZ2 4.16Å
53F84.9Confident89.8Confident148 Ų14865.5 Ų65.565%0.64933%0.332SS*.Hα-helixtrans-97.6-37.4-178.3-75-77.8000114.3M49M49-F53 HydrophobicContact CE-CD2 4.02Å; M49-F53 HydrophobicContact CE-CE2 3.36Å; M49-F53 HydrophobicContact CE-CZ 4.02Å; M49-F53 HydrophobicContact CG-CD2 3.51Å; M49-F53 HydrophobicContact CG-CE2 3.49Å; M49-F53 VanDerWaalsContact CG-CE2 3.49Å; M49-F53 VanDerWaalsContact O-CD2 3.3Å; M49-F53 WeakPolarHBondContact O-CD2 3.2Å; M49-F53 PolarHBondContact O-N 2.96Å; M49-F53 HydrophobicContact SD-CE2 4.28Å
54I83.6Confident89.8Confident130 Ų13068.7 Ų68.767%0.66735%0.35SS*.THydrogen-bonded Turntrans-90.3-28.3-176.9-56.3165.5000110.5G50G50-I54 VanDerWaalsContact O-CB 3.25Å; G50-I54 WeakPolarHBondContact O-CB 3.47Å; G50-I54 WeakPolarHBondContact O-CG1 3.35Å; G50-I54 PolarHBondContact O-N 3.49Å
55G80.2Confident89.7Confident32 Ų3275.5 Ų75.533%0.3338%0.381SS..SBendtrans-98.9165.7-179.400000113.4R51 P57R51-G55 WeakPolarHBondContact O-CA 3.44Å; R51-G55 PolarHBondContact O-N 3.37Å; G55-P57 VanDerWaalsContact O-CD 3.28Å; G55-P57 WeakPolarHBondContact O-CD 3.46Å
56K84.8Confident89.7Confident176 Ų17675.9 Ų75.977%0.76538%0.381SS*.  trans-81.9107.9162.2-64.4-178-179.9-178.70107.6I58 S323K56-I58 VanDerWaalsContact C-N 3.25Å; K56-I58 PolarHBondContact O-N 3.44Å; K56-S323 PolarHBondContact O-OG 3.01Å
57P89.1Confident89.9Confident22 Ų2276.6 Ų76.614%0.14339%0.389CS..SBendtrans-69.6-26.4-17428.1-35.5000112.8G55 W79 S323G55-P57 VanDerWaalsContact O-CD 3.28Å; G55-P57 WeakPolarHBondContact O-CD 3.46Å; P57-W79 HydrophobicContact CB-CD2 4.34Å; P57-W79 HydrophobicContact CB-CE3 4.01Å; P57-W79 HydrophobicContact CB-CH2 3.73Å; P57-W79 HydrophobicContact CB-CZ2 4.1Å; P57-W79 HydrophobicContact CB-CZ3 3.69Å; P57-W79 HydrophobicContact CG-CD2 3.85Å; P57-W79 HydrophobicContact CG-CE3 3.94Å; P57-W79 HydrophobicContact CG-CG 4.41Å; P57-W79 HydrophobicContact CG-CH2 4.23Å; P57-W79 HydrophobicContact CG-CZ2 4.16Å; P57-W79 HydrophobicContact CG-CZ3 4.12Å; P57-S323 PolarHBondContact O-N 3.31Å; P57-S323 PolarHBondContact O-OG 3.2Å
58I91.9Very high90Very high2 Ų277.9 Ų77.91%0.0141%0.405CS..  trans-139.2145178.7-168.9172.2000109.4K56 T75 C78 W79 T83 C320 V321 L322K56-I58 VanDerWaalsContact C-N 3.25Å; K56-I58 PolarHBondContact O-N 3.44Å; I58-T75 HydrophobicContact CG2-CG2 3.87Å; I58-T75 VanDerWaalsContact O-CG2 3.25Å; I58-T75 WeakPolarHBondContact O-CG2 3.35Å; I58-C78 HydrophobicContact CD1-CB 4.46Å; I58-W79 HydrophobicContact CB-CE3 4.09Å; I58-W79 HydrophobicContact CG2-CB 3.74Å; I58-W79 HydrophobicContact CG2-CD2 4.37Å; I58-W79 HydrophobicContact CG2-CE3 3.89Å; I58-W79 HydrophobicContact CG2-CG 4.35Å; I58-T83 HydrophobicContact CD1-CG2 4.03Å; I58-C320 HydrophobicContact CD1-CB 3.64Å; I58-C320 HydrophobicContact CG1-CB 3.75Å; I58-V321 WeakPolarHBondContact CA-O 3.49Å; I58-L322 HydrophobicContact CB-CD1 4.11Å; I58-L322 HydrophobicContact CD1-CD1 4.26Å; I58-L322 HydrophobicContact CG1-CD1 4.19Å
59A93.6Very high90.2Very high55 Ų5580.9 Ų80.946%0.45543%0.43SS..EExtended strand (participates in β ladder)trans-132.7127.6172.200000109.3C320 V321A59-C320 CarbonylContact O-C 3.42Å; A59-C320 VanDerWaalsContact O-CA 3.3Å; A59-C320 WeakPolarHBondContact O-CA 3.3Å; A59-V321 PolarHBondContact N-O 2.86Å; A59-V321 PolarHBondContact O-N 3.33Å
60C95.4Very high90.3Very high17 Ų1780.6 Ų80.612%0.11543%0.428CS..EExtended strand (participates in β ladder)trans-111.6141.7-174.8-62.60000112.2T62 C320C60-T62 PolarHBondContact O-N 3.03Å; C60-C320 HydrophobicContact CB-CB 4.08Å; C60-C320 WeakPolarHBondContact CB-SG 3.19Å; C60-C320 WeakPolarHBondContact SG-CB 3.45Å; C60-C320 CovalentContact SG-SG 2.05Å; C60-C320 PolarHBondContact SG-SG 3.34Å
61W94.9Very high90.6Very high193 Ų19381.5 Ų81.573%0.73143%0.428SS*.EExtended strand (participates in β ladder)trans-81.4111169.9-174.7-95.3000109.5Q319W61-Q319 PolarHBondContact N-O 3.18Å
62T93.9Very high90.8Very high19 Ų1982.2 Ų82.212%0.11744%0.437CS..  trans-108.5152.8-179.453.40000111.5C60 F66 V71 A74 L318C60-T62 PolarHBondContact O-N 3.03Å; T62-F66 HydrophobicContact CG2-CD2 4.03Å; T62-F66 HydrophobicContact CG2-CE2 4.37Å; T62-V71 HydrophobicContact CG2-CG1 4.23Å; T62-V71 HydrophobicContact CG2-CG2 4.44Å; T62-V71 VanDerWaalsContact OG1-CG2 3.29Å; T62-V71 WeakPolarHBondContact OG1-CG2 3.36Å; T62-A74 HydrophobicContact CG2-CB 4.03Å; T62-L318 HydrophobicContact CG2-CD1 4.14Å; T62-L318 HydrophobicContact CG2-CD2 4.3Å
63P93.7Very high91.2Very high44 Ų4486.4 Ų86.429%0.28645%0.452SS..  trans-56.7147.2173.6-22.432.8000112.6E65 F66 Y316P63-E65 PolarHBondContact O-N 3.1Å; P63-F66 HydrophobicContact CB-CD1 4.45Å; P63-F66 HydrophobicContact CB-CE1 4.48Å; P63-F66 HydrophobicContact CG-CE1 4.17Å; P63-F66 HydrophobicContact CG-CZ 4.36Å; P63-F66 PolarHBondContact O-N 3.28Å; P63-Y316 HydrophobicContact CG-CD1 4.19Å; P63-Y316 HydrophobicContact CG-CE1 4.36Å
64N91.4Very high91.6Very high158 Ų15879.3 Ų79.385%0.84542%0.421SS*.THydrogen-bonded Turntrans-61.7-16.1-179.1-690.4000114.1F66N64-F66 PolarHBondContact O-N 3.41Å
65E91.4Very high92Very high153 Ų15374.6 Ų74.672%0.71540%0.398SS*.THydrogen-bonded Turntrans-71.2-17.2175.5-63.5168.9-162.700113.2P63P63-E65 PolarHBondContact O-N 3.1Å
66F91.3Very high92.6Very high21 Ų2178.2 Ų78.29%0.09241%0.409CS..SBendtrans-79129.5-175.6-77.222.9000110.9T62 P63 N64 Q70 V71 A74 L304 M306 Y316T62-F66 HydrophobicContact CG2-CD2 4.03Å; T62-F66 HydrophobicContact CG2-CE2 4.37Å; P63-F66 HydrophobicContact CB-CD1 4.45Å; P63-F66 HydrophobicContact CB-CE1 4.48Å; P63-F66 HydrophobicContact CG-CE1 4.17Å; P63-F66 HydrophobicContact CG-CZ 4.36Å; P63-F66 PolarHBondContact O-N 3.28Å; N64-F66 PolarHBondContact O-N 3.41Å; F66-Q70 HydrophobicContact CB-CB 3.99Å; F66-Q70 HydrophobicContact CD2-CB 4.09Å; F66-Q70 HydrophobicContact CG-CB 4.14Å; F66-V71 HydrophobicContact CB-CG2 3.99Å; F66-A74 HydrophobicContact CE2-CB 4.47Å; F66-L304 HydrophobicContact CE2-CD2 4.15Å; F66-M306 HydrophobicContact CE1-CE 3.65Å; F66-M306 HydrophobicContact CE2-CE 3.95Å; F66-M306 HydrophobicContact CE2-SD 4.46Å; F66-M306 HydrophobicContact CZ-CE 3.17Å; F66-M306 HydrophobicContact CZ-SD 4.22Å; F66-Y316 HydrophobicContact CE1-CE1 4.44Å; F66-Y316 HydrophobicContact CZ-CD1 4.46Å; F66-Y316 HydrophobicContact CZ-CD2 4.34Å; F66-Y316 HydrophobicContact CZ-CE2 4.43Å; F66-Y316 HydrophobicContact CZ-CG 4.34Å
67T93.7Very high93Very high76 Ų7671.1 Ų71.147%0.46638%0.381SS..  trans-64157.4168.4600000110.9A69 Q70 V71T67-A69 PolarHBondContact O-N 3.24Å; T67-Q70 WeakPolarHBondContact O-CA 3.22Å; T67-Q70 WeakPolarHBondContact O-CB 3.23Å; T67-Q70 PolarHBondContact O-N 2.98Å; T67-Q70 VanDerWaalsContact OG1-CD 3.27Å; T67-Q70 VanDerWaalsContact OG1-CG 3.27Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.45Å; T67-Q70 PolarHBondContact OG1-N 3.26Å; T67-Q70 PolarHBondContact OG1-OE1 3.19Å; T67-Q70 VanDerWaalsContact OG1-OE1 3.1Å; T67-V71 WeakPolarHBondContact O-CG2 3.33Å; T67-V71 PolarHBondContact O-N 3.47Å
68S94Very high93.1Very high107 Ų10770.1 Ų70.175%0.74837%0.374SS*.Hα-helixtrans-53.1-39.5178.452.50000113.2V71 E72S68-V71 PolarHBondContact O-N 3.34Å; S68-E72 PolarHBondContact O-N 3.31Å
69A93.2Very high93.1Very high65 Ų6571.7 Ų71.754%0.53738%0.38SS..Hα-helixtrans-64.7-37.117500000112.8T67 E72 Y73T67-A69 PolarHBondContact O-N 3.24Å; A69-E72 PolarHBondContact O-N 2.73Å; A69-Y73 WeakPolarHBondContact O-CB 3.49Å; A69-Y73 PolarHBondContact O-N 3.04Å
70Q92.8Very high92.9Very high78 Ų7873.5 Ų73.536%0.36439%0.385SS..Hα-helixtrans-69.8-34174.9-73.8165.7-24.500112.1F66 T67 Y73 A74F66-Q70 HydrophobicContact CB-CB 3.99Å; F66-Q70 HydrophobicContact CD2-CB 4.09Å; F66-Q70 HydrophobicContact CG-CB 4.14Å; T67-Q70 WeakPolarHBondContact O-CA 3.22Å; T67-Q70 WeakPolarHBondContact O-CB 3.23Å; T67-Q70 PolarHBondContact O-N 2.98Å; T67-Q70 VanDerWaalsContact OG1-CD 3.27Å; T67-Q70 VanDerWaalsContact OG1-CG 3.27Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.45Å; T67-Q70 PolarHBondContact OG1-N 3.26Å; T67-Q70 PolarHBondContact OG1-OE1 3.19Å; T67-Q70 VanDerWaalsContact OG1-OE1 3.1Å; Q70-Y73 PolarHBondContact O-N 3.09Å; Q70-A74 VanDerWaalsContact O-CB 3.24Å; Q70-A74 WeakPolarHBondContact O-CB 3.46Å; Q70-A74 PolarHBondContact O-N 3.31Å
71V93.9Very high92.6Very high43 Ų4375.4 Ų75.426%0.26140%0.396SS..Hα-helixtrans-65.6-43.2174.1-178.30000111T62 F66 T67 S68 A74 T75T62-V71 HydrophobicContact CG2-CG1 4.23Å; T62-V71 HydrophobicContact CG2-CG2 4.44Å; T62-V71 VanDerWaalsContact OG1-CG2 3.29Å; T62-V71 WeakPolarHBondContact OG1-CG2 3.36Å; F66-V71 HydrophobicContact CB-CG2 3.99Å; T67-V71 WeakPolarHBondContact O-CG2 3.33Å; T67-V71 PolarHBondContact O-N 3.47Å; S68-V71 PolarHBondContact O-N 3.34Å; V71-A74 PolarHBondContact O-N 3.29Å; V71-T75 WeakPolarHBondContact O-CB 3.32Å; V71-T75 PolarHBondContact O-N 3.06Å; V71-T75 PolarHBondContact O-OG1 3.34Å
72E93.5Very high92Very high146 Ų14667.7 Ų67.768%0.68237%0.371SS*.Hα-helixtrans-63.9-45.1175.7-172.9173.4-172.200111.5S68 A69 T75 L76S68-E72 PolarHBondContact O-N 3.31Å; A69-E72 PolarHBondContact O-N 2.73Å; E72-T75 PolarHBondContact O-N 3.02Å; E72-L76 WeakPolarHBondContact O-CB 3.38Å; E72-L76 PolarHBondContact O-N 3.05Å
73Y93Very high91.9Very high129 Ų12966.8 Ų66.851%0.50637%0.366SS..Hα-helixtrans-58.7-49.1173.7176.2-101000112A69 Q70 T75 L76 V77 L304A69-Y73 WeakPolarHBondContact O-CB 3.49Å; A69-Y73 PolarHBondContact O-N 3.04Å; Q70-Y73 PolarHBondContact O-N 3.09Å; Y73-T75 VanDerWaalsContact C-N 3.29Å; Y73-T75 PolarHBondContact O-N 3.09Å; Y73-L76 PolarHBondContact O-N 3.43Å; Y73-V77 HydrophobicContact CD1-CG2 4.15Å; Y73-V77 HydrophobicContact CD2-CG2 4.1Å; Y73-V77 HydrophobicContact CE1-CG2 3.72Å; Y73-V77 HydrophobicContact CE2-CG2 3.66Å; Y73-V77 HydrophobicContact CG-CG2 4.32Å; Y73-V77 VanDerWaalsContact CZ-CG2 3.45Å; Y73-V77 WeakPolarHBondContact O-CB 3.25Å; Y73-V77 VanDerWaalsContact O-CG2 3.31Å; Y73-V77 WeakPolarHBondContact O-CG2 3.18Å; Y73-V77 PolarHBondContact O-N 2.89Å; Y73-L304 HydrophobicContact CE1-CD1 4.38Å
74A93.6Very high91.7Very high0 Ų065.1 Ų65.10%035%0.354CS..Hα-helixtrans-59.3-41.8178.200000111.7T62 F66 Q70 V71 C78 L304 L318T62-A74 HydrophobicContact CG2-CB 4.03Å; F66-A74 HydrophobicContact CE2-CB 4.47Å; Q70-A74 VanDerWaalsContact O-CB 3.24Å; Q70-A74 WeakPolarHBondContact O-CB 3.46Å; Q70-A74 PolarHBondContact O-N 3.31Å; V71-A74 PolarHBondContact O-N 3.29Å; A74-C78 VanDerWaalsContact O-CB 3.25Å; A74-C78 WeakPolarHBondContact O-CB 3.24Å; A74-C78 PolarHBondContact O-N 3.47Å; A74-C78 PolarHBondContact O-SG 3.26Å; A74-L304 HydrophobicContact CB-CD2 3.78Å; A74-L318 HydrophobicContact CB-CD1 3.82Å
75T93.5Very high91.6Very high30 Ų3059 Ų5918%0.18432%0.32CS..Hα-helixtrans-65.4-42.9177.5-57.20000111.6I58 V71 E72 Y73 C78 W79I58-T75 HydrophobicContact CG2-CG2 3.87Å; I58-T75 VanDerWaalsContact O-CG2 3.25Å; I58-T75 WeakPolarHBondContact O-CG2 3.35Å; V71-T75 WeakPolarHBondContact O-CB 3.32Å; V71-T75 PolarHBondContact O-N 3.06Å; V71-T75 PolarHBondContact O-OG1 3.34Å; E72-T75 PolarHBondContact O-N 3.02Å; Y73-T75 VanDerWaalsContact C-N 3.29Å; Y73-T75 PolarHBondContact O-N 3.09Å; T75-C78 PolarHBondContact O-N 3.29Å; T75-W79 WeakPolarHBondContact O-CB 3.45Å; T75-W79 PolarHBondContact O-N 3.16Å
76L91.8Very high91.4Very high108 Ų10852.8 Ų52.857%0.56529%0.291SS*.Hα-helixtrans-68.7-42.9178-173.5118.7000111.9E72 Y73 W79 V80E72-L76 WeakPolarHBondContact O-CB 3.38Å; E72-L76 PolarHBondContact O-N 3.05Å; Y73-L76 PolarHBondContact O-N 3.43Å; L76-W79 WeakPolarHBondContact O-CB 3.32Å; L76-W79 PolarHBondContact O-N 3.11Å; L76-V80 WeakPolarHBondContact O-CG2 3.34Å; L76-V80 PolarHBondContact O-N 3.33Å
77V92.9Very high91.1Very high28 Ų2853 Ų5317%0.1730%0.296CS..Hα-helixtrans-59.8-50.8173.9173.10000109.2Y73 W79 V80 T81 L304Y73-V77 HydrophobicContact CD1-CG2 4.15Å; Y73-V77 HydrophobicContact CD2-CG2 4.1Å; Y73-V77 HydrophobicContact CE1-CG2 3.72Å; Y73-V77 HydrophobicContact CE2-CG2 3.66Å; Y73-V77 HydrophobicContact CG-CG2 4.32Å; Y73-V77 VanDerWaalsContact CZ-CG2 3.45Å; Y73-V77 WeakPolarHBondContact O-CB 3.25Å; Y73-V77 VanDerWaalsContact O-CG2 3.31Å; Y73-V77 WeakPolarHBondContact O-CG2 3.18Å; Y73-V77 PolarHBondContact O-N 2.89Å; V77-W79 PolarHBondContact O-N 3.4Å; V77-V80 PolarHBondContact O-N 2.76Å; V77-T81 HydrophobicContact CG1-CG2 3.79Å; V77-T81 WeakPolarHBondContact O-CB 3.45Å; V77-T81 WeakPolarHBondContact O-CG2 3.45Å; V77-T81 PolarHBondContact O-N 3.28Å; V77-T81 PolarHBondContact O-OG1 2.88Å; V77-L304 HydrophobicContact CB-CD1 3.98Å; V77-L304 HydrophobicContact CG1-CD1 3.65Å; V77-L304 HydrophobicContact CG2-CD1 4.4Å
78C92.4Very high90.6Very high0 Ų053.5 Ų53.50%030%0.3CS..Hα-helixtrans-65.2-18.6177.4-70.40000114.8I58 A74 T75 T81 C302I58-C78 HydrophobicContact CD1-CB 4.46Å; A74-C78 VanDerWaalsContact O-CB 3.25Å; A74-C78 WeakPolarHBondContact O-CB 3.24Å; A74-C78 PolarHBondContact O-N 3.47Å; A74-C78 PolarHBondContact O-SG 3.26Å; T75-C78 PolarHBondContact O-N 3.29Å; C78-T81 CarbonylContact C-O 3.6Å; C78-T81 WeakPolarHBondContact CA-OG1 3.41Å; C78-C302 WeakPolarHBondContact CA-SG 3.2Å; C78-C302 HydrophobicContact CB-CB 3.72Å; C78-C302 WeakPolarHBondContact CB-SG 3.46Å; C78-C302 WeakPolarHBondContact SG-CB 3.31Å; C78-C302 CovalentContact SG-SG 2.04Å; C78-C302 PolarHBondContact SG-SG 3.43Å
79W90.8Very high90Very high35 Ų3554.4 Ų54.413%0.13330%0.296CS..Hα-helixtrans-77.5-42.5169.9177-114.1000111.8Q52 P57 I58 T75 L76 V77 Y108 Q109 L322 I324Q52-W79 HydrophobicContact CG-CZ2 4.16Å; P57-W79 HydrophobicContact CB-CD2 4.34Å; P57-W79 HydrophobicContact CB-CE3 4.01Å; P57-W79 HydrophobicContact CB-CH2 3.73Å; P57-W79 HydrophobicContact CB-CZ2 4.1Å; P57-W79 HydrophobicContact CB-CZ3 3.69Å; P57-W79 HydrophobicContact CG-CD2 3.85Å; P57-W79 HydrophobicContact CG-CE3 3.94Å; P57-W79 HydrophobicContact CG-CG 4.41Å; P57-W79 HydrophobicContact CG-CH2 4.23Å; P57-W79 HydrophobicContact CG-CZ2 4.16Å; P57-W79 HydrophobicContact CG-CZ3 4.12Å; I58-W79 HydrophobicContact CB-CE3 4.09Å; I58-W79 HydrophobicContact CG2-CB 3.74Å; I58-W79 HydrophobicContact CG2-CD2 4.37Å; I58-W79 HydrophobicContact CG2-CE3 3.89Å; I58-W79 HydrophobicContact CG2-CG 4.35Å; T75-W79 WeakPolarHBondContact O-CB 3.45Å; T75-W79 PolarHBondContact O-N 3.16Å; L76-W79 WeakPolarHBondContact O-CB 3.32Å; L76-W79 PolarHBondContact O-N 3.11Å; V77-W79 PolarHBondContact O-N 3.4Å; W79-Y108 HydrophobicContact CE3-CD2 4.1Å; W79-Y108 AromaticContact CE3-CE2 3.95Å; W79-Y108 HydrophobicContact CE3-CE2 3.95Å; W79-Y108 AromaticContact CH2-CD2 3.48Å; W79-Y108 HydrophobicContact CH2-CD2 3.48Å; W79-Y108 VanDerWaalsContact CH2-CD2 3.48Å; W79-Y108 HydrophobicContact CH2-CE2 4.16Å; W79-Y108 HydrophobicContact CH2-CG 4.35Å; W79-Y108 HydrophobicContact CZ2-CD2 4.27Å; W79-Y108 AromaticContact CZ3-CD2 3.36Å; W79-Y108 HydrophobicContact CZ3-CD2 3.36Å; W79-Y108 AromaticContact CZ3-CE2 3.67Å; W79-Y108 HydrophobicContact CZ3-CE2 3.67Å; W79-Y108 HydrophobicContact CZ3-CG 4.27Å; W79-Q109 HydrophobicContact CZ2-CG 4.44Å; W79-Q109 PolarHBondContact O-NE2 3.39Å; W79-L322 HydrophobicContact CE3-CD1 4.5Å; W79-L322 HydrophobicContact CZ3-CD1 3.97Å; W79-I324 HydrophobicContact CH2-CD1 4.28Å; W79-I324 HydrophobicContact CH2-CG2 4.43Å; W79-I324 HydrophobicContact CZ3-CG2 4.33Å
80V90.4Very high89.5Confident93 Ų9356.4 Ų56.456%0.56430%0.295SS*.Hα-helixtrans-78.2-43.6-177.5174.30000111L76 V77 Q109L76-V80 WeakPolarHBondContact O-CG2 3.34Å; L76-V80 PolarHBondContact O-N 3.33Å; V77-V80 PolarHBondContact O-N 2.76Å; V80-Q109 PolarHBondContact O-NE2 2.8Å
81T87.9Confident88.7Confident57 Ų5758.9 Ų58.935%0.3532%0.317SS..SBendtrans-77.4136.9170.365.90000108.7V77 C78V77-T81 HydrophobicContact CG1-CG2 3.79Å; V77-T81 WeakPolarHBondContact O-CB 3.45Å; V77-T81 WeakPolarHBondContact O-CG2 3.45Å; V77-T81 PolarHBondContact O-N 3.28Å; V77-T81 PolarHBondContact O-OG1 2.88Å; C78-T81 CarbonylContact C-O 3.6Å; C78-T81 WeakPolarHBondContact CA-OG1 3.41Å
82S83.2Confident88.1Confident31 Ų3161.7 Ų61.722%0.21734%0.335CS..PPolyproline II helixtrans-73.9147.4-176.2-52.50000111.8H106S82-H106 WeakPolarHBondContact CB-CE1 3.34Å; S82-H106 WeakPolarHBondContact CB-ND1 3.23Å; S82-H106 PolarHBondContact OG-CE1 2.94Å; S82-H106 PolarHBondContact OG-ND1 3.44Å
83T91.2Very high87.7Confident0 Ų057.8 Ų57.80%032%0.318CS..EExtended strand (participates in β ladder)trans-98.5159.2179.961.80000110I58 S104 I105 Y108 T300 F301 C302I58-T83 HydrophobicContact CD1-CG2 4.03Å; T83-S104 CarbonylContact O-C 3.59Å; T83-S104 WeakPolarHBondContact O-CA 3.35Å; T83-I105 PolarHBondContact O-N 3.07Å; T83-Y108 PolarHBondContact N-OH 3.35Å; T83-Y108 PolarHBondContact OG1-OH 2.65Å; T83-T300 VanDerWaalsContact CB-OG1 3.3Å; T83-T300 WeakPolarHBondContact CB-OG1 3.37Å; T83-T300 WeakPolarHBondContact OG1-CB 3.36Å; T83-T300 PolarHBondContact OG1-OG1 3.46Å; T83-T300 VanDerWaalsContact OG1-OG1 3.08Å; T83-F301 WeakPolarHBondContact CA-O 3.23Å; T83-F301 WeakPolarHBondContact CB-O 3.47Å; T83-C302 HydrophobicContact CG2-CB 4.2Å
84Y90.7Very high87.2Confident9 Ų953 Ų534%0.03530%0.303CS..EExtended strand (participates in β ladder)trans-124.4153.3177.761.8-87.4000110.4I86 R100 D103 T300 F301 D303Y84-I86 HydrophobicContact CD2-CD1 4.16Å; Y84-I86 HydrophobicContact CD2-CG1 3.99Å; Y84-I86 HydrophobicContact CE2-CD1 3.52Å; Y84-I86 HydrophobicContact CE2-CG1 3.88Å; Y84-R100 WeakPolarHBondContact CB-O 3.35Å; Y84-R100 HydrophobicContact CD1-CB 4.31Å; Y84-R100 HydrophobicContact CD2-CB 4.2Å; Y84-R100 HydrophobicContact CD2-CG 4.48Å; Y84-R100 HydrophobicContact CE1-CB 4.23Å; Y84-R100 HydrophobicContact CE2-CB 4.11Å; Y84-R100 HydrophobicContact CE2-CG 3.98Å; Y84-R100 HydrophobicContact CG-CB 4.31Å; Y84-R100 PolarHBondContact OH-NH1 2.91Å; Y84-D103 WeakPolarHBondContact CA-O 3.25Å; Y84-D103 WeakPolarHBondContact CB-O 3.4Å; Y84-T300 WeakPolarHBondContact O-CA 3.18Å; Y84-F301 HydrophobicContact CD1-CB 4.49Å; Y84-F301 WeakPolarHBondContact CD1-O 3.42Å; Y84-F301 HydrophobicContact CD2-CB 4.19Å; Y84-F301 HydrophobicContact CE1-CB 3.96Å; Y84-F301 HydrophobicContact CE2-CB 3.61Å; Y84-F301 HydrophobicContact CE2-CG 4.36Å; Y84-F301 VanDerWaalsContact CZ-CB 3.46Å; Y84-F301 PolarHBondContact N-O 3.3Å; Y84-F301 PolarHBondContact O-N 3.19Å; Y84-D303 WeakPolarHBondContact CE1-OD2 3.34Å; Y84-D303 PolarHBondContact OH-OD1 3.31Å
85F88.6Confident86.6Confident30 Ų3057.6 Ų57.613%0.13234%0.335CS..  trans-102138.4179167.6-113.6000110.4I105 W290 P297F85-I105 HydrophobicContact CB-CD1 4Å; F85-W290 HydrophobicContact CD2-CZ3 4.04Å; F85-W290 AromaticContact CE2-CE3 3.98Å; F85-W290 HydrophobicContact CE2-CE3 3.98Å; F85-W290 AromaticContact CE2-CZ3 3.49Å; F85-W290 HydrophobicContact CE2-CZ3 3.49Å; F85-W290 VanDerWaalsContact CE2-CZ3 3.49Å; F85-W290 HydrophobicContact CZ-CZ3 4.37Å; F85-P297 HydrophobicContact CB-CB 4.02Å; F85-P297 HydrophobicContact CB-CG 3.78Å; F85-P297 HydrophobicContact CD1-CB 4.46Å; F85-P297 HydrophobicContact CD2-CB 3.53Å; F85-P297 HydrophobicContact CD2-CG 4.26Å; F85-P297 HydrophobicContact CE2-CB 4.17Å; F85-P297 HydrophobicContact CG-CB 3.72Å; F85-P297 HydrophobicContact CG-CG 3.95Å
86I86.7Confident86.1Confident22 Ų2260.9 Ų60.911%0.11335%0.351CS..  trans-124.2129.7169.2-66.2169.5000107Y84 Q90 I93 F301Y84-I86 HydrophobicContact CD2-CD1 4.16Å; Y84-I86 HydrophobicContact CD2-CG1 3.99Å; Y84-I86 HydrophobicContact CE2-CD1 3.52Å; Y84-I86 HydrophobicContact CE2-CG1 3.88Å; I86-Q90 HydrophobicContact CG2-CB 4.04Å; I86-I93 HydrophobicContact CD1-CB 4.15Å; I86-I93 HydrophobicContact CD1-CG1 4.23Å; I86-I93 HydrophobicContact CD1-CG2 3.55Å; I86-F301 HydrophobicContact CB-CD2 4.09Å; I86-F301 HydrophobicContact CB-CE2 3.95Å; I86-F301 HydrophobicContact CD1-CD2 4.04Å; I86-F301 HydrophobicContact CD1-CE2 4.35Å; I86-F301 HydrophobicContact CG1-CD2 4.19Å; I86-F301 HydrophobicContact CG1-CE2 4.49Å
87S84.7Confident85.6Confident26 Ų2659.5 Ų59.518%0.18234%0.344CS..  trans-64.1136.3173.1-1790000110.3D89 Q90S87-D89 PolarHBondContact O-N 3.34Å; S87-D89 PolarHBondContact OG-N 3.09Å; S87-D89 PolarHBondContact OG-OD2 3.44Å; S87-Q90 PolarHBondContact O-N 2.9Å
88P84Confident85.1Confident86 Ų8662.8 Ų62.856%0.55837%0.366SS*.THydrogen-bonded Turntrans-59-15.5175.226.8-35.7000113.6Q90 Y291P88-Q90 PolarHBondContact O-N 3.5Å; P88-Y291 HydrophobicContact CG-CD2 3.76Å; P88-Y291 HydrophobicContact CG-CG 3.83Å
89D82.2Confident84.6Confident126 Ų12666.6 Ų66.667%0.67439%0.386SS*.THydrogen-bonded Turntrans-70.1-21175.4-53.7-42.2000112.7S87 P91S87-D89 PolarHBondContact O-N 3.34Å; S87-D89 PolarHBondContact OG-N 3.09Å; S87-D89 PolarHBondContact OG-OD2 3.44Å; D89-P91 WeakPolarHBondContact O-CD 3.47Å
90Q81.7Confident84.2Confident108 Ų10866.2 Ų66.251%0.50539%0.385SS..  trans-84.7116.7176.6-68.2-175.1-14.100109.9I86 S87 P88 T92I86-Q90 HydrophobicContact CG2-CB 4.04Å; S87-Q90 PolarHBondContact O-N 2.9Å; P88-Q90 PolarHBondContact O-N 3.5Å; Q90-T92 PolarHBondContact O-N 2.8Å
91P76.1Confident83.7Confident129 Ų12970.2 Ų70.284%0.83839%0.389SS*.SBendtrans-73.3-14.2-17228.8-35.8000113.6D89D89-P91 WeakPolarHBondContact O-CD 3.47Å
92T81.8Confident83.3Confident103 Ų10375.4 Ų75.463%0.63241%0.407SS*.SBendtrans-137141.4-175.559.60000111.2Q90 P94Q90-T92 PolarHBondContact O-N 2.8Å; T92-P94 WeakPolarHBondContact O-CD 3.45Å
93I83.6Confident82.9Confident64 Ų6478.4 Ų78.433%0.32842%0.421SS..  trans-73.7116.5172.5-51.7176.8000106.9I86 S95 F301I86-I93 HydrophobicContact CD1-CB 4.15Å; I86-I93 HydrophobicContact CD1-CG1 4.23Å; I86-I93 HydrophobicContact CD1-CG2 3.55Å; I93-S95 PolarHBondContact O-N 3.16Å; I93-F301 HydrophobicContact CD1-CE1 4.43Å
94P83.5Confident82.5Confident28 Ų2879.9 Ų79.918%0.18243%0.431CS..  trans-53.7135.2-173.2-26.433.4000111.9T92 D96 L99 R100T92-P94 WeakPolarHBondContact O-CD 3.45Å; P94-D96 PolarHBondContact O-N 2.83Å; P94-L99 HydrophobicContact CB-CD2 3.83Å; P94-L99 HydrophobicContact CG-CD2 4Å; P94-R100 PolarHBondContact O-NE 3.39Å; P94-R100 PolarHBondContact O-NH2 2.93Å
95S80Confident82.2Confident97 Ų9780.5 Ų80.568%0.67844%0.435SS*.SBendtrans-65.3-28.4177.546.50000112.3I93 L97I93-S95 PolarHBondContact O-N 3.16Å; S95-L97 PolarHBondContact O-N 2.72Å
96D83.5Confident82Confident98 Ų9883.5 Ų83.552%0.52445%0.449SS..  trans-75.5109.6-173.8-61.3-21.5000111.5P94 P98 L99 R100P94-D96 PolarHBondContact O-N 2.83Å; D96-P98 VanDerWaalsContact C-CD 3.41Å; D96-P98 HydrophobicContact CB-CG 4.47Å; D96-L99 HydrophobicContact CB-CB 4.18Å; D96-L99 WeakPolarHBondContact O-CB 3.43Å; D96-L99 PolarHBondContact O-N 3.39Å; D96-L99 VanDerWaalsContact O-N 3.15Å; D96-R100 PolarHBondContact O-N 2.91Å
97L81.7Confident82Confident79 Ų7984 Ų8441%0.41445%0.45SS..Hα-helixtrans-52.4-43.4174.1-55.2-168.2000115.1S95 L99 R100 R101S95-L97 PolarHBondContact O-N 2.72Å; L97-L99 PolarHBondContact O-N 3Å; L97-R100 PolarHBondContact O-N 3.35Å; L97-R101 PolarHBondContact O-N 2.92Å
98P81.9Confident82.1Confident97 Ų9782.7 Ų82.763%0.6344%0.441SS*.Hα-helixtrans-65.3-30.7-179.624.9-34.3000112D96 R101 K102D96-P98 VanDerWaalsContact C-CD 3.41Å; D96-P98 HydrophobicContact CB-CG 4.47Å; P98-R101 PolarHBondContact O-N 3.42Å; P98-K102 PolarHBondContact O-N 3.32Å
99L83.1Confident82.3Confident80 Ų8080.5 Ų80.542%0.41942%0.423SS..Hα-helixtrans-69.1-45.2176.6-172.961.8000110.8P94 D96 L97 R101 K102P94-L99 HydrophobicContact CB-CD2 3.83Å; P94-L99 HydrophobicContact CG-CD2 4Å; D96-L99 HydrophobicContact CB-CB 4.18Å; D96-L99 WeakPolarHBondContact O-CB 3.43Å; D96-L99 PolarHBondContact O-N 3.39Å; D96-L99 VanDerWaalsContact O-N 3.15Å; L97-L99 PolarHBondContact O-N 3Å; L99-R101 PolarHBondContact O-N 3.45Å; L99-K102 WeakPolarHBondContact O-CB 3.45Å; L99-K102 PolarHBondContact O-N 3.46Å; L99-K102 VanDerWaalsContact O-N 3.14Å
100R82.3Confident82.7Confident27 Ų2781.5 Ų81.510%0.10242%0.418CS..Hα-helixtrans-58-38.3173.9-64.9-178.9-176.3-159.84.7112.5Y84 P94 D96 L97 D303Y84-R100 WeakPolarHBondContact CB-O 3.35Å; Y84-R100 HydrophobicContact CD1-CB 4.31Å; Y84-R100 HydrophobicContact CD2-CB 4.2Å; Y84-R100 HydrophobicContact CD2-CG 4.48Å; Y84-R100 HydrophobicContact CE1-CB 4.23Å; Y84-R100 HydrophobicContact CE2-CB 4.11Å; Y84-R100 HydrophobicContact CE2-CG 3.98Å; Y84-R100 HydrophobicContact CG-CB 4.31Å; Y84-R100 PolarHBondContact OH-NH1 2.91Å; P94-R100 PolarHBondContact O-NE 3.39Å; P94-R100 PolarHBondContact O-NH2 2.93Å; D96-R100 PolarHBondContact O-N 2.91Å; L97-R100 PolarHBondContact O-N 3.35Å; R100-D303 IonicContact NH1-OD1 2.94Å; R100-D303 PolarHBondContact NH1-OD1 2.89Å
101R79.1Confident83.2Confident177 Ų17776.4 Ų76.467%0.66839%0.394SS*.Hα-helixtrans-76.8-20.8-179.8-167.7177.5-65.6160.5-0113.1L97 P98 L99 D103 S104L97-R101 PolarHBondContact O-N 2.92Å; P98-R101 PolarHBondContact O-N 3.42Å; L99-R101 PolarHBondContact O-N 3.45Å; R101-D103 VanDerWaalsContact C-N 3.27Å; R101-D103 PolarHBondContact O-N 3.47Å; R101-S104 PolarHBondContact O-N 2.66Å; R101-S104 PolarHBondContact O-OG 3.17Å
102K80.2Confident83.9Confident167 Ų16770.7 Ų70.773%0.72636%0.357SS*.Hα-helixtrans-65.1-36.3178.1-171.4178.7176.9-175.50111.5P98 L99 S104P98-K102 PolarHBondContact O-N 3.32Å; L99-K102 WeakPolarHBondContact O-CB 3.45Å; L99-K102 PolarHBondContact O-N 3.46Å; L99-K102 VanDerWaalsContact O-N 3.14Å; K102-S104 VanDerWaalsContact C-N 3.34Å
103D75.3Confident84.5Confident94 Ų9471.5 Ų71.550%0.50335%0.352SS..THydrogen-bonded Turntrans-99.228.4-178.7-58.4-28.9000112.1Y84 R101Y84-D103 WeakPolarHBondContact CA-O 3.25Å; Y84-D103 WeakPolarHBondContact CB-O 3.4Å; R101-D103 VanDerWaalsContact C-N 3.27Å; R101-D103 PolarHBondContact O-N 3.47Å
104S81.8Confident84.9Confident30 Ų3069.5 Ų69.521%0.2134%0.341CS..EExtended strand (participates in β ladder)trans-78.2135177.559.50000112.2T83 R101 K102 H106T83-S104 CarbonylContact O-C 3.59Å; T83-S104 WeakPolarHBondContact O-CA 3.35Å; R101-S104 PolarHBondContact O-N 2.66Å; R101-S104 PolarHBondContact O-OG 3.17Å; K102-S104 VanDerWaalsContact C-N 3.34Å; S104-H106 WeakPolarHBondContact CB-NE2 3.38Å; S104-H106 PolarHBondContact O-CD2 3.45Å; S104-H106 VanDerWaalsContact O-CD2 3.27Å; S104-H106 PolarHBondContact OG-NE2 3.22Å
105I84.4Confident85.4Confident22 Ų2268.1 Ų68.111%0.11333%0.333CS..EExtended strand (participates in β ladder)trans-104.5110.6-172.3-56.2175.2000107.9T83 F85 Y107 Y108 P297 T300T83-I105 PolarHBondContact O-N 3.07Å; F85-I105 HydrophobicContact CB-CD1 4Å; I105-Y107 HydrophobicContact CG2-CD1 3.54Å; I105-Y107 HydrophobicContact CG2-CE1 3.21Å; I105-Y107 HydrophobicContact CG2-CG 4.43Å; I105-Y108 HydrophobicContact CB-CE1 4.19Å; I105-Y108 HydrophobicContact CG2-CD1 3.95Å; I105-Y108 HydrophobicContact CG2-CE1 3.84Å; I105-Y108 WeakPolarHBondContact O-CE1 3.29Å; I105-Y108 PolarHBondContact O-OH 3.18Å; I105-P297 HydrophobicContact CD1-CG 3.26Å; I105-T300 HydrophobicContact CD1-CG2 4.23Å
106H83.9Confident86Confident94 Ų9468.2 Ų68.244%0.43532%0.324SS..  trans-107.8-13.8-175.4-60-92.1000114S82 S104 Y108S82-H106 WeakPolarHBondContact CB-CE1 3.34Å; S82-H106 WeakPolarHBondContact CB-ND1 3.23Å; S82-H106 PolarHBondContact OG-CE1 2.94Å; S82-H106 PolarHBondContact OG-ND1 3.44Å; S104-H106 WeakPolarHBondContact CB-NE2 3.38Å; S104-H106 PolarHBondContact O-CD2 3.45Å; S104-H106 VanDerWaalsContact O-CD2 3.27Å; S104-H106 PolarHBondContact OG-NE2 3.22Å; H106-Y108 PolarHBondContact O-N 3.12Å
107Y87.2Confident86.5Confident31 Ų3167.7 Ų67.712%0.12232%0.32CS..G310 helixtrans-69.4-31.1-162.164-105.2000114.4I105 Q109 W110 V111 F268 F296 N325I105-Y107 HydrophobicContact CG2-CD1 3.54Å; I105-Y107 HydrophobicContact CG2-CE1 3.21Å; I105-Y107 HydrophobicContact CG2-CG 4.43Å; Y107-Q109 VanDerWaalsContact C-N 3.27Å; Y107-Q109 PolarHBondContact O-N 3.37Å; Y107-W110 PolarHBondContact O-N 3.33Å; Y107-V111 HydrophobicContact CD2-CG2 4.14Å; Y107-V111 WeakPolarHBondContact O-CG2 3.47Å; Y107-V111 PolarHBondContact O-N 3.48Å; Y107-F268 HydrophobicContact CG-CE1 4.43Å; Y107-F268 WeakPolarHBondContact O-CZ 3.48Å; Y107-F296 HydrophobicContact CE2-CE1 4.32Å; Y107-F296 WeakPolarHBondContact OH-CD1 3.42Å; Y107-N325 PolarHBondContact OH-ND2 3Å; Y107-N325 PolarHBondContact OH-OD1 3.05Å
108Y87.3Confident87.1Confident0 Ų063.9 Ų63.90%030%0.3CS..G310 helixtrans-62.2-30.8-170.445.5-100.2000113.9W79 T83 I105 H106 W110 L322W79-Y108 HydrophobicContact CE3-CD2 4.1Å; W79-Y108 AromaticContact CE3-CE2 3.95Å; W79-Y108 HydrophobicContact CE3-CE2 3.95Å; W79-Y108 AromaticContact CH2-CD2 3.48Å; W79-Y108 HydrophobicContact CH2-CD2 3.48Å; W79-Y108 VanDerWaalsContact CH2-CD2 3.48Å; W79-Y108 HydrophobicContact CH2-CE2 4.16Å; W79-Y108 HydrophobicContact CH2-CG 4.35Å; W79-Y108 HydrophobicContact CZ2-CD2 4.27Å; W79-Y108 AromaticContact CZ3-CD2 3.36Å; W79-Y108 HydrophobicContact CZ3-CD2 3.36Å; W79-Y108 AromaticContact CZ3-CE2 3.67Å; W79-Y108 HydrophobicContact CZ3-CE2 3.67Å; W79-Y108 HydrophobicContact CZ3-CG 4.27Å; T83-Y108 PolarHBondContact N-OH 3.35Å; T83-Y108 PolarHBondContact OG1-OH 2.65Å; I105-Y108 HydrophobicContact CB-CE1 4.19Å; I105-Y108 HydrophobicContact CG2-CD1 3.95Å; I105-Y108 HydrophobicContact CG2-CE1 3.84Å; I105-Y108 WeakPolarHBondContact O-CE1 3.29Å; I105-Y108 PolarHBondContact O-OH 3.18Å; H106-Y108 PolarHBondContact O-N 3.12Å; Y108-W110 PolarHBondContact O-N 3.24Å; Y108-L322 HydrophobicContact CD1-CD2 3.82Å; Y108-L322 HydrophobicContact CE1-CD2 3.98Å; Y108-L322 HydrophobicContact CG-CD2 4.42Å
109Q88.1Confident87.7Confident39 Ų3959.4 Ų59.418%0.18227%0.272CS..G310 helixtrans-67.5-28.8175.4-61.6171.4-22.100112.1W79 V80 Y107W79-Q109 HydrophobicContact CZ2-CG 4.44Å; W79-Q109 PolarHBondContact O-NE2 3.39Å; V80-Q109 PolarHBondContact O-NE2 2.8Å; Y107-Q109 VanDerWaalsContact C-N 3.27Å; Y107-Q109 PolarHBondContact O-N 3.37Å
110W90.9Very high88.1Confident148 Ų14858.1 Ų58.156%0.56127%0.272SS*.THydrogen-bonded Turntrans-99.2-12.5-171.2-64.898.2000113.9Y107 Y108 F113 L114 F268Y107-W110 PolarHBondContact O-N 3.33Å; Y108-W110 PolarHBondContact O-N 3.24Å; W110-F113 HydrophobicContact CE3-CD2 4.19Å; W110-F113 PolarHBondContact O-N 3.48Å; W110-L114 PolarHBondContact O-N 2.92Å; W110-F268 HydrophobicContact CB-CE2 3.94Å; W110-F268 HydrophobicContact CB-CZ 3.93Å
111V92.3Very high88.6Confident0 Ų059.7 Ų59.70%028%0.281CS..Hα-helixtrans-53.4-48.7-176.5179.70000113.2I48 Y107 F113 L114 L115 F268 F332I48-V111 HydrophobicContact CD1-CG1 3.51Å; Y107-V111 HydrophobicContact CD2-CG2 4.14Å; Y107-V111 WeakPolarHBondContact O-CG2 3.47Å; Y107-V111 PolarHBondContact O-N 3.48Å; V111-F113 VanDerWaalsContact C-N 3.32Å; V111-F113 PolarHBondContact O-N 2.76Å; V111-L114 WeakPolarHBondContact O-CB 3.41Å; V111-L114 PolarHBondContact O-N 3.04Å; V111-L115 HydrophobicContact CG1-CD1 4.15Å; V111-L115 HydrophobicContact CG1-CG 4.28Å; V111-L115 WeakPolarHBondContact O-CG 3.38Å; V111-L115 PolarHBondContact O-N 3.05Å; V111-F268 HydrophobicContact CG2-CE1 3.97Å; V111-F268 HydrophobicContact CG2-CZ 4.25Å; V111-F332 HydrophobicContact CB-CZ 4.41Å; V111-F332 HydrophobicContact CG1-CE1 4.34Å; V111-F332 HydrophobicContact CG1-CE2 4.28Å; V111-F332 HydrophobicContact CG1-CZ 3.61Å; V111-F332 HydrophobicContact CG2-CE2 4.17Å; V111-F332 HydrophobicContact CG2-CZ 3.9Å
112P91.4Very high89.2Confident10 Ų1051.2 Ų51.27%0.06525%0.25CC..Hα-helixtrans-62.5-39.5-178.8-21.633.4000112.8T45 I48 L115 M116T45-P112 HydrophobicContact CG2-CB 4.32Å; I48-P112 HydrophobicContact CG2-CG 3.87Å; P112-L115 PolarHBondContact O-N 3.36Å; P112-M116 WeakPolarHBondContact O-CB 3.28Å; P112-M116 PolarHBondContact O-N 3.14Å
113F92.5Very high89.6Confident120 Ų12044.6 Ų44.653%0.52622%0.224SC..Hα-helixtrans-68.1-38.3177.9-59.5-66.3000111.7W110 V111 M116 L117W110-F113 HydrophobicContact CE3-CD2 4.19Å; W110-F113 PolarHBondContact O-N 3.48Å; V111-F113 VanDerWaalsContact C-N 3.32Å; V111-F113 PolarHBondContact O-N 2.76Å; F113-M116 HydrophobicContact CD1-CE 4.2Å; F113-M116 PolarHBondContact O-N 2.65Å; F113-L117 WeakPolarHBondContact O-CB 3.45Å; F113-L117 PolarHBondContact O-N 3.16Å
114L93.7Very high90.3Very high21 Ų2143.8 Ų43.811%0.1122%0.219CC..Hα-helixtrans-59.5-53.1173.6-167.676.8000110.5W110 V111 M116 L117 Q118 L264 F268W110-L114 PolarHBondContact O-N 2.92Å; V111-L114 WeakPolarHBondContact O-CB 3.41Å; V111-L114 PolarHBondContact O-N 3.04Å; L114-M116 VanDerWaalsContact C-N 3.3Å; L114-M116 PolarHBondContact O-N 3.29Å; L114-L117 CarbonylContact O-C 3.57Å; L114-L117 WeakPolarHBondContact O-CA 3.35Å; L114-L117 WeakPolarHBondContact O-CB 3.28Å; L114-L117 PolarHBondContact O-N 3.48Å; L114-Q118 VanDerWaalsContact O-CG 3.3Å; L114-Q118 WeakPolarHBondContact O-CG 3.32Å; L114-Q118 PolarHBondContact O-N 3.39Å; L114-L264 HydrophobicContact CD1-CD2 3.53Å; L114-L264 HydrophobicContact CD2-CD2 4.14Å; L114-L264 HydrophobicContact CG-CD2 4.02Å; L114-F268 HydrophobicContact CB-CZ 4.49Å; L114-F268 HydrophobicContact CD1-CD2 3.91Å; L114-F268 HydrophobicContact CD1-CE2 4.22Å; L114-F268 HydrophobicContact CD1-CG 4.34Å; L114-F268 HydrophobicContact CD2-CB 4Å; L114-F268 HydrophobicContact CD2-CD1 3.46Å; L114-F268 VanDerWaalsContact CD2-CD1 3.46Å; L114-F268 HydrophobicContact CD2-CD2 3.77Å; L114-F268 HydrophobicContact CD2-CE1 3.74Å; L114-F268 HydrophobicContact CD2-CE2 4.04Å; L114-F268 HydrophobicContact CD2-CG 3.46Å; L114-F268 VanDerWaalsContact CD2-CG 3.46Å; L114-F268 HydrophobicContact CD2-CZ 4.01Å; L114-F268 HydrophobicContact CG-CD2 4.39Å; L114-F268 HydrophobicContact CG-CG 4.5Å
115L93.5Very high90.8Very high0 Ų042.4 Ų42.40%021%0.209CC..Hα-helixtrans-61.6-38.1-178.4-66.4-179.1000112.3L41 C44 T45 I48 V111 P112 Q118 A119 L335L41-L115 HydrophobicContact CD2-CD2 4.11Å; C44-L115 HydrophobicContact CB-CD1 4.09Å; T45-L115 WeakPolarHBondContact OG1-CB 3.16Å; I48-L115 HydrophobicContact CD1-CD1 3.64Å; V111-L115 HydrophobicContact CG1-CD1 4.15Å; V111-L115 HydrophobicContact CG1-CG 4.28Å; V111-L115 WeakPolarHBondContact O-CG 3.38Å; V111-L115 PolarHBondContact O-N 3.05Å; P112-L115 PolarHBondContact O-N 3.36Å; L115-Q118 PolarHBondContact O-N 2.78Å; L115-A119 WeakPolarHBondContact O-CB 3.42Å; L115-A119 PolarHBondContact O-N 3.37Å; L115-L335 HydrophobicContact CD2-CD1 3.55Å
116M92.3Very high91Very high99 Ų9941.6 Ų41.649%0.48821%0.206SC..Hα-helixtrans-63.8-41.3173.3-175.8174.163.500112P112 F113 L114 A119 A120P112-M116 WeakPolarHBondContact O-CB 3.28Å; P112-M116 PolarHBondContact O-N 3.14Å; F113-M116 HydrophobicContact CD1-CE 4.2Å; F113-M116 PolarHBondContact O-N 2.65Å; L114-M116 VanDerWaalsContact C-N 3.3Å; L114-M116 PolarHBondContact O-N 3.29Å; M116-A119 PolarHBondContact O-N 2.79Å; M116-A120 PolarHBondContact O-N 2.95Å
117L94.1Very high91.2Very high86 Ų8641.3 Ų41.345%0.4521%0.206SC..Hα-helixtrans-63.8-43174.3179.264.8000111.4F113 L114 A119 A120 M121F113-L117 WeakPolarHBondContact O-CB 3.45Å; F113-L117 PolarHBondContact O-N 3.16Å; L114-L117 CarbonylContact O-C 3.57Å; L114-L117 WeakPolarHBondContact O-CA 3.35Å; L114-L117 WeakPolarHBondContact O-CB 3.28Å; L114-L117 PolarHBondContact O-N 3.48Å; L117-A119 VanDerWaalsContact C-N 3.35Å; L117-A119 PolarHBondContact O-N 2.88Å; L117-A120 PolarHBondContact O-N 2.86Å; L117-M121 HydrophobicContact CD1-CE 4.24Å; L117-M121 HydrophobicContact CD2-CE 4.43Å; L117-M121 HydrophobicContact CG-CE 4.26Å; L117-M121 HydrophobicContact CG-SD 4.49Å; L117-M121 WeakPolarHBondContact O-CG 3.47Å; L117-M121 PolarHBondContact O-N 3.46Å
118Q94.4Very high91.4Very high0 Ų042.2 Ų42.20%021%0.213CC..Hα-helixtrans-61.4-43.6175.9-64.1-168.4-41.200111.2L41 L114 L115 A120 M121 F122 Q261 L264L41-Q118 HydrophobicContact CD1-CB 4.04Å; L114-Q118 VanDerWaalsContact O-CG 3.3Å; L114-Q118 WeakPolarHBondContact O-CG 3.32Å; L114-Q118 PolarHBondContact O-N 3.39Å; L115-Q118 PolarHBondContact O-N 2.78Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; Q118-A120 PolarHBondContact O-N 2.84Å; Q118-M121 PolarHBondContact O-N 3.39Å; Q118-F122 WeakPolarHBondContact O-CD2 3.45Å; Q118-F122 PolarHBondContact O-N 3.25Å; Q118-Q261 VanDerWaalsContact CG-OE1 3.24Å; Q118-L264 HydrophobicContact CG-CD2 4.49Å
119A93.2Very high91.5Very high3 Ų342.3 Ų42.33%0.02521%0.213CC..Hα-helixtrans-60.3-43176.400000111.7T38 L41 M42 L115 M116 L117 F122 S123T38-A119 HydrophobicContact CG2-CB 4.17Å; L41-A119 HydrophobicContact CB-CB 3.91Å; L41-A119 HydrophobicContact CD1-CB 4.27Å; M42-A119 HydrophobicContact CG-CB 4.34Å; M42-A119 HydrophobicContact SD-CB 4.1Å; L115-A119 WeakPolarHBondContact O-CB 3.42Å; L115-A119 PolarHBondContact O-N 3.37Å; M116-A119 PolarHBondContact O-N 2.79Å; L117-A119 VanDerWaalsContact C-N 3.35Å; L117-A119 PolarHBondContact O-N 2.88Å; A119-F122 PolarHBondContact O-N 3.48Å; A119-S123 PolarHBondContact O-N 3.25Å; A119-S123 PolarHBondContact O-OG 3.27Å
120A91.6Very high91.3Very high52 Ų5245 Ų4543%0.4322%0.221SC..Hα-helixtrans-62.6-43.8174.500000111.9M116 L117 Q118 F122 S123 I124M116-A120 PolarHBondContact O-N 2.95Å; L117-A120 PolarHBondContact O-N 2.86Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; Q118-A120 PolarHBondContact O-N 2.84Å; A120-F122 VanDerWaalsContact C-N 3.34Å; A120-F122 PolarHBondContact O-N 3.33Å; A120-S123 WeakPolarHBondContact O-CB 3.24Å; A120-S123 PolarHBondContact O-N 2.84Å; A120-I124 PolarHBondContact O-N 2.88Å
121M93Very high91.1Very high60 Ų6043.4 Ų43.430%0.29622%0.223SC..Hα-helixtrans-62.5-36179.2-74.8-176.2167.100113.2L117 Q118 S123 I124 P125 N257 Q261L117-M121 HydrophobicContact CD1-CE 4.24Å; L117-M121 HydrophobicContact CD2-CE 4.43Å; L117-M121 HydrophobicContact CG-CE 4.26Å; L117-M121 HydrophobicContact CG-SD 4.49Å; L117-M121 WeakPolarHBondContact O-CG 3.47Å; L117-M121 PolarHBondContact O-N 3.46Å; Q118-M121 PolarHBondContact O-N 3.39Å; M121-S123 PolarHBondContact O-N 2.86Å; M121-I124 HydrophobicContact CB-CD1 4.44Å; M121-I124 HydrophobicContact CG-CD1 4.21Å; M121-I124 PolarHBondContact O-N 2.88Å; M121-P125 WeakPolarHBondContact O-CD 3.45Å; M121-N257 PolarHBondContact O-ND2 3.38Å; M121-Q261 PolarHBondContact SD-NE2 3.23Å
122F92.8Very high90.9Very high0 Ų047.5 Ų47.50%024%0.242CC..Hα-helixtrans-64-22.5171.6-87.3-73.4000114.4N33 T37 L41 Q118 A119 A120 N257 Q261 L339 I342N33-F122 HydrophobicContact CB-CD1 4.42Å; T37-F122 HydrophobicContact CG2-CD1 4.15Å; T37-F122 HydrophobicContact CG2-CD2 3.82Å; T37-F122 HydrophobicContact CG2-CE1 4.07Å; T37-F122 HydrophobicContact CG2-CE2 3.71Å; T37-F122 HydrophobicContact CG2-CG 4.05Å; T37-F122 HydrophobicContact CG2-CZ 3.86Å; L41-F122 HydrophobicContact CD1-CD2 3.67Å; L41-F122 HydrophobicContact CD1-CE2 4.01Å; Q118-F122 WeakPolarHBondContact O-CD2 3.45Å; Q118-F122 PolarHBondContact O-N 3.25Å; A119-F122 PolarHBondContact O-N 3.48Å; A120-F122 VanDerWaalsContact C-N 3.34Å; A120-F122 PolarHBondContact O-N 3.33Å; F122-N257 WeakPolarHBondContact CA-ND2 3.25Å; F122-N257 WeakPolarHBondContact CD1-ND2 3.2Å; F122-Q261 HydrophobicContact CD2-CG 4.3Å; F122-Q261 HydrophobicContact CE2-CB 4.29Å; F122-Q261 HydrophobicContact CE2-CG 3.63Å; F122-Q261 HydrophobicContact CZ-CB 4.46Å; F122-Q261 HydrophobicContact CZ-CG 3.97Å; F122-L339 HydrophobicContact CE2-CD2 3.66Å; F122-L339 HydrophobicContact CZ-CD2 3.51Å; F122-I342 HydrophobicContact CE1-CG2 4.25Å
123S88.1Confident90.5Very high27 Ų2747.9 Ų47.919%0.18924%0.243CC..Hα-helixtrans-85.8-21.6177.5-59.60000113.4A119 A120 M121 C126 I127A119-S123 PolarHBondContact O-N 3.25Å; A119-S123 PolarHBondContact O-OG 3.27Å; A120-S123 WeakPolarHBondContact O-CB 3.24Å; A120-S123 PolarHBondContact O-N 2.84Å; M121-S123 PolarHBondContact O-N 2.86Å; S123-C126 PolarHBondContact O-N 3.24Å; S123-I127 WeakPolarHBondContact O-CG1 3.35Å; S123-I127 PolarHBondContact O-N 3.01Å; S123-I127 VanDerWaalsContact O-N 3.14Å
124I90.4Very high89.9Confident78 Ų7850.8 Ų50.840%0.425%0.251SS..Hα-helixtrans-55.3-48.1-176.1-67.1174.6000113.1A120 M121 C126 I127 I128A120-I124 PolarHBondContact O-N 2.88Å; M121-I124 HydrophobicContact CB-CD1 4.44Å; M121-I124 HydrophobicContact CG-CD1 4.21Å; M121-I124 PolarHBondContact O-N 2.88Å; I124-C126 VanDerWaalsContact C-N 3.3Å; I124-C126 PolarHBondContact O-N 3.09Å; I124-I127 WeakPolarHBondContact O-CB 3.2Å; I124-I127 PolarHBondContact O-N 3.31Å; I124-I127 VanDerWaalsContact O-N 3.13Å; I124-I128 HydrophobicContact CG2-CD1 3.63Å; I124-I128 HydrophobicContact CG2-CG1 4.22Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 3.34Å
125P91.6Very high89.1Confident1 Ų154.8 Ų54.81%0.00627%0.268CS..Hα-helixtrans-62.9-35.8-177.4-21.633.2000113.1M121 I128 W129 I250 L253 Y254M121-P125 WeakPolarHBondContact O-CD 3.45Å; P125-I128 PolarHBondContact O-N 3.01Å; P125-W129 PolarHBondContact O-N 2.93Å; P125-I250 HydrophobicContact CB-CG2 4.27Å; P125-L253 HydrophobicContact CB-CB 4.47Å; P125-L253 HydrophobicContact CB-CD2 3.89Å; P125-L253 HydrophobicContact CB-CG 4.23Å; P125-L253 HydrophobicContact CG-CD2 3.93Å; P125-L253 HydrophobicContact CG-CG 3.96Å; P125-Y254 HydrophobicContact CB-CD1 3.9Å; P125-Y254 HydrophobicContact CB-CD2 4.2Å; P125-Y254 HydrophobicContact CB-CE1 3.65Å; P125-Y254 HydrophobicContact CB-CE2 3.99Å; P125-Y254 HydrophobicContact CB-CG 4.16Å; P125-Y254 HydrophobicContact CG-CD1 3.79Å; P125-Y254 HydrophobicContact CG-CE1 3.8Å; P125-Y254 HydrophobicContact CG-CG 4.33Å
126C88.9Confident88.3Confident5 Ų555.1 Ų55.13%0.03427%0.271CS..Hα-helixtrans-66.5-40.7175-174.50000111.5H34 S123 I124 W129 R130H34-C126 HydrophobicContact CB-CB 3.84Å; S123-C126 PolarHBondContact O-N 3.24Å; I124-C126 VanDerWaalsContact C-N 3.3Å; I124-C126 PolarHBondContact O-N 3.09Å; C126-W129 PolarHBondContact O-N 3.43Å; C126-R130 WeakPolarHBondContact O-CG 3.16Å; C126-R130 PolarHBondContact O-N 3.27Å; C126-R130 VanDerWaalsContact SG-CZ 3.52Å; C126-R130 PolarHBondContact SG-NE 2.87Å; C126-R130 PolarHBondContact SG-NH2 2.89Å
127I88.3Confident87.4Confident88 Ų8855.2 Ų55.245%0.45127%0.266SS..Hα-helixtrans-61.5-46.3175.1-64.9166.7000110.1S123 I124 W129 R130 L131S123-I127 WeakPolarHBondContact O-CG1 3.35Å; S123-I127 PolarHBondContact O-N 3.01Å; S123-I127 VanDerWaalsContact O-N 3.14Å; I124-I127 WeakPolarHBondContact O-CB 3.2Å; I124-I127 PolarHBondContact O-N 3.31Å; I124-I127 VanDerWaalsContact O-N 3.13Å; I127-W129 PolarHBondContact O-N 3.47Å; I127-R130 PolarHBondContact O-N 2.85Å; I127-L131 HydrophobicContact CG2-CD1 3.75Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CB 3.34Å; I127-L131 VanDerWaalsContact O-CG 3.26Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.32Å
128I90Very high86.7Confident50 Ų5051.8 Ų51.826%0.25625%0.248SC..Hα-helixtrans-60.4-45.8177.5-66.6170.4000110.5I124 P125 R130 L131 F132 I250 L253I124-I128 HydrophobicContact CG2-CD1 3.63Å; I124-I128 HydrophobicContact CG2-CG1 4.22Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 3.34Å; P125-I128 PolarHBondContact O-N 3.01Å; I128-R130 VanDerWaalsContact C-N 3.34Å; I128-R130 PolarHBondContact O-N 3.28Å; I128-L131 PolarHBondContact O-N 3.32Å; I128-F132 HydrophobicContact CG2-CD2 3.61Å; I128-F132 HydrophobicContact CG2-CE2 3.9Å; I128-F132 VanDerWaalsContact O-CD2 3.26Å; I128-F132 WeakPolarHBondContact O-CD2 3.35Å; I128-F132 PolarHBondContact O-N 3.23Å; I128-I250 HydrophobicContact CB-CD1 3.97Å; I128-I250 HydrophobicContact CG2-CD1 3.57Å; I128-L253 HydrophobicContact CD1-CD2 3.52Å
129W89.8Confident86.2Confident2 Ų254.8 Ų54.81%0.00826%0.262CS..Hα-helixtrans-55.5-48.1175.5174.9-118.2000112.1D26 P125 C126 I127 L131 F132 N133 L140 L243 L246 Y247 I250 F449D26-W129 PolarHBondContact OD1-NE1 3.02Å; P125-W129 PolarHBondContact O-N 2.93Å; C126-W129 PolarHBondContact O-N 3.43Å; I127-W129 PolarHBondContact O-N 3.47Å; W129-L131 PolarHBondContact O-N 2.94Å; W129-F132 PolarHBondContact O-N 3.1Å; W129-N133 HydrophobicContact CD2-CB 4.48Å; W129-N133 WeakPolarHBondContact O-CB 3.21Å; W129-N133 PolarHBondContact O-N 3.2Å; W129-L140 HydrophobicContact CH2-CD2 4.2Å; W129-L140 HydrophobicContact CZ2-CD2 3.49Å; W129-L140 VanDerWaalsContact CZ2-CD2 3.49Å; W129-L243 HydrophobicContact CH2-CD1 3.95Å; W129-L243 HydrophobicContact CH2-CG 4.42Å; W129-L243 HydrophobicContact CZ3-CD1 4.43Å; W129-L246 HydrophobicContact CE3-CD2 3.92Å; W129-L246 HydrophobicContact CE3-CG 3.98Å; W129-L246 HydrophobicContact CZ3-CB 4.37Å; W129-L246 HydrophobicContact CZ3-CD2 3.93Å; W129-L246 HydrophobicContact CZ3-CG 3.97Å; W129-Y247 HydrophobicContact CE3-CD2 4.21Å; W129-Y247 AromaticContact CH2-CD2 3.53Å; W129-Y247 HydrophobicContact CH2-CD2 3.53Å; W129-Y247 HydrophobicContact CH2-CE2 4.43Å; W129-Y247 HydrophobicContact CH2-CG 4.19Å; W129-Y247 AromaticContact CZ2-CD2 3.88Å; W129-Y247 HydrophobicContact CZ2-CD2 3.88Å; W129-Y247 HydrophobicContact CZ2-CE2 4.38Å; W129-Y247 AromaticContact CZ3-CD2 3.71Å; W129-Y247 HydrophobicContact CZ3-CD2 3.71Å; W129-Y247 HydrophobicContact CZ3-CG 4.26Å; W129-I250 HydrophobicContact CB-CD1 4.19Å; W129-I250 HydrophobicContact CB-CG1 4.02Å; W129-I250 HydrophobicContact CB-CG2 4.39Å; W129-I250 HydrophobicContact CE3-CG1 3.93Å; W129-F449 HydrophobicContact CH2-CE1 4.17Å; W129-F449 HydrophobicContact CH2-CZ 4.12Å
130R85.1Confident85.8Confident94 Ų9454.8 Ų54.836%0.35526%0.261SS..Hα-helixtrans-67-33.6-179.9-68.8174-175.8-179.95.8113.3C126 I127 I128 N133C126-R130 WeakPolarHBondContact O-CG 3.16Å; C126-R130 PolarHBondContact O-N 3.27Å; C126-R130 VanDerWaalsContact SG-CZ 3.52Å; C126-R130 PolarHBondContact SG-NE 2.87Å; C126-R130 PolarHBondContact SG-NH2 2.89Å; I127-R130 PolarHBondContact O-N 2.85Å; I128-R130 VanDerWaalsContact C-N 3.34Å; I128-R130 PolarHBondContact O-N 3.28Å; R130-N133 PolarHBondContact O-OD1 3.38Å; R130-N133 VanDerWaalsContact O-OD1 3.05Å
131L87Confident85.5Confident115 Ų11558.1 Ų58.160%0.60226%0.263SS*.Hα-helixtrans-72.9-37.9178.2-71173.9000112.2I127 I128 W129I127-L131 HydrophobicContact CG2-CD1 3.75Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CB 3.34Å; I127-L131 VanDerWaalsContact O-CG 3.26Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.32Å; I128-L131 PolarHBondContact O-N 3.32Å; W129-L131 PolarHBondContact O-N 2.94Å
132F86.2Confident85.2Confident87 Ų8757 Ų5738%0.38226%0.259SS..Hα-helixtrans-95.1-20.5-175.6-70.9-72.2000113.9I128 W129 W134 Q135 Y242 L246I128-F132 HydrophobicContact CG2-CD2 3.61Å; I128-F132 HydrophobicContact CG2-CE2 3.9Å; I128-F132 VanDerWaalsContact O-CD2 3.26Å; I128-F132 WeakPolarHBondContact O-CD2 3.35Å; I128-F132 PolarHBondContact O-N 3.23Å; W129-F132 PolarHBondContact O-N 3.1Å; F132-W134 PolarHBondContact O-N 3.42Å; F132-Q135 WeakPolarHBondContact O-CB 3.43Å; F132-Q135 PolarHBondContact O-N 3.2Å; F132-Q135 VanDerWaalsContact O-N 3.14Å; F132-Y242 PolarHBondContact O-OH 2.84Å; F132-L246 HydrophobicContact CB-CD1 3.85Å; F132-L246 HydrophobicContact CB-CD2 3.72Å; F132-L246 HydrophobicContact CB-CG 4.45Å
133N84.2Confident85Confident17 Ų1757.1 Ų57.19%0.09126%0.26CS..Hα-helixtrans-63.3-30.1178.4756.1000112.7W129 R130 Q135 S136W129-N133 HydrophobicContact CD2-CB 4.48Å; W129-N133 WeakPolarHBondContact O-CB 3.21Å; W129-N133 PolarHBondContact O-N 3.2Å; R130-N133 PolarHBondContact O-OD1 3.38Å; R130-N133 VanDerWaalsContact O-OD1 3.05Å; N133-Q135 VanDerWaalsContact C-N 3.26Å; N133-Q135 PolarHBondContact O-N 3.01Å; N133-S136 VanDerWaalsContact O-CB 3.25Å; N133-S136 WeakPolarHBondContact O-CB 3.49Å; N133-S136 PolarHBondContact O-N 3.05Å; N133-S136 PolarHBondContact O-OG 3.44Å
134W79.4Confident85Confident182 Ų18255.9 Ų55.969%0.68925%0.251SS*.THydrogen-bonded Turntrans-65.7-29.4177.5174.1-86.7000112.4F132 S136 H139F132-W134 PolarHBondContact O-N 3.42Å; W134-S136 PolarHBondContact O-N 3.49Å; W134-H139 AromaticContact CD2-CE1 3.74Å; W134-H139 AromaticContact CE2-CE1 3.84Å; W134-H139 AromaticContact CE3-CE1 3.4Å; W134-H139 VanDerWaalsContact CE3-CE1 3.4Å; W134-H139 AromaticContact CE3-ND1 3.5Å; W134-H139 AromaticContact CH2-CE1 3.34Å; W134-H139 WeakPolarHBondContact CH2-CE1 3.39Å; W134-H139 AromaticContact CZ2-CE1 3.67Å; W134-H139 AromaticContact CZ3-CE1 3.2Å; W134-H139 WeakPolarHBondContact CZ3-CE1 2.99Å; W134-H139 AromaticContact CZ3-ND1 3.46Å; W134-H139 WeakPolarHBondContact CZ3-ND1 3.5Å
135Q78.1Confident84.9Confident104 Ų10454.3 Ų54.349%0.48624%0.244SC..THydrogen-bonded Turntrans-68.8-18.4175.9-63.3-174.1-16.800112F132 N133 Y242F132-Q135 WeakPolarHBondContact O-CB 3.43Å; F132-Q135 PolarHBondContact O-N 3.2Å; F132-Q135 VanDerWaalsContact O-N 3.14Å; N133-Q135 VanDerWaalsContact C-N 3.26Å; N133-Q135 PolarHBondContact O-N 3.01Å; Q135-Y242 PolarHBondContact OE1-OH 3.3Å
136S75Confident84.7Confident8 Ų855.3 Ų55.36%0.05625%0.249CC..SBendtrans-70.2137.7172.382.10000109.7N133 W134 I138N133-S136 VanDerWaalsContact O-CB 3.25Å; N133-S136 WeakPolarHBondContact O-CB 3.49Å; N133-S136 PolarHBondContact O-N 3.05Å; N133-S136 PolarHBondContact O-OG 3.44Å; W134-S136 PolarHBondContact O-N 3.49Å; S136-I138 PolarHBondContact O-N 3.49Å; S136-I138 PolarHBondContact OG-O 3.29Å
137R74.6Confident84.7Confident101 Ų10155 Ų5538%0.38125%0.247SC..SBendtrans-63.8-11.8179.2-63.5178.4-179.7177.9-3.3113.2
138I79.1Confident84.7Confident13 Ų1352.6 Ų52.67%0.06724%0.238CC..SBendtrans-104.1105.8178-58.6169.6000106.7S136 L140 V143 L171 A174 V450S136-I138 PolarHBondContact O-N 3.49Å; S136-I138 PolarHBondContact OG-O 3.29Å; I138-L140 VanDerWaalsContact C-N 3.28Å; I138-L140 PolarHBondContact O-N 3.45Å; I138-V143 HydrophobicContact CG2-CG2 4.19Å; I138-L171 HydrophobicContact CG2-CD2 4.19Å; I138-A174 HydrophobicContact CD1-CB 4.36Å; I138-A174 HydrophobicContact CG1-CB 3.57Å; I138-V450 HydrophobicContact CD1-CG2 4.36Å; I138-V450 HydrophobicContact CG2-CG2 4.35Å
139H83.3Confident84.5Confident63 Ų6354.5 Ų54.529%0.29224%0.244SC..  trans-6488.9170.4-72.6-65.9000110.9W134 W141 T142 V143W134-H139 AromaticContact CD2-CE1 3.74Å; W134-H139 AromaticContact CE2-CE1 3.84Å; W134-H139 AromaticContact CE3-CE1 3.4Å; W134-H139 VanDerWaalsContact CE3-CE1 3.4Å; W134-H139 AromaticContact CE3-ND1 3.5Å; W134-H139 AromaticContact CH2-CE1 3.34Å; W134-H139 WeakPolarHBondContact CH2-CE1 3.39Å; W134-H139 AromaticContact CZ2-CE1 3.67Å; W134-H139 AromaticContact CZ3-CE1 3.2Å; W134-H139 WeakPolarHBondContact CZ3-CE1 2.99Å; W134-H139 AromaticContact CZ3-ND1 3.46Å; W134-H139 WeakPolarHBondContact CZ3-ND1 3.5Å; H139-W141 VanDerWaalsContact C-N 3.27Å; H139-W141 PolarHBondContact O-N 3.02Å; H139-T142 PolarHBondContact O-N 3.49Å; H139-V143 PolarHBondContact O-N 3.17Å
140L86.5Confident84.4Confident3 Ų354.9 Ų54.92%0.01625%0.248CC..Hα-helixtrans-58-40.2-172.8-172.165.2000112.4D25 W129 I138 T142 V143 M144 L243 V450 L453D25-L140 HydrophobicContact CB-CD2 3.94Å; D25-L140 HydrophobicContact CB-CG 4.21Å; W129-L140 HydrophobicContact CH2-CD2 4.2Å; W129-L140 HydrophobicContact CZ2-CD2 3.49Å; W129-L140 VanDerWaalsContact CZ2-CD2 3.49Å; I138-L140 VanDerWaalsContact C-N 3.28Å; I138-L140 PolarHBondContact O-N 3.45Å; L140-T142 PolarHBondContact O-N 3.19Å; L140-V143 PolarHBondContact O-N 2.89Å; L140-M144 HydrophobicContact CD1-CE 3.89Å; L140-M144 HydrophobicContact CD1-CG 4.41Å; L140-M144 HydrophobicContact CG-CG 4.28Å; L140-M144 WeakPolarHBondContact O-CG 3.49Å; L140-M144 PolarHBondContact O-N 3.37Å; L140-L243 HydrophobicContact CD1-CD2 4.34Å; L140-V450 HydrophobicContact CD1-CG1 4.39Å; L140-V450 HydrophobicContact CD1-CG2 4.09Å; L140-L453 HydrophobicContact CD1-CD2 3.79Å; L140-L453 HydrophobicContact CD2-CD2 3.73Å; L140-L453 HydrophobicContact CG-CD2 4.07Å
141W85.1Confident84.2Confident123 Ų12352.2 Ų52.247%0.46625%0.25SC..Hα-helixtrans-56.5-51.5178.6176.865.3000112.6R23 H139 V143 M144 D145R23-W141 VanDerWaalsContact NH2-CB 3.29Å; R23-W141 VanDerWaalsContact NH2-CG 3.28Å; H139-W141 VanDerWaalsContact C-N 3.27Å; H139-W141 PolarHBondContact O-N 3.02Å; W141-V143 VanDerWaalsContact C-N 3.27Å; W141-V143 PolarHBondContact O-N 3.25Å; W141-M144 PolarHBondContact O-N 3.38Å; W141-D145 WeakPolarHBondContact O-CB 3.42Å; W141-D145 PolarHBondContact O-N 3.41Å
142T86.1Confident84Confident35 Ų3551.1 Ų51.122%0.21525%0.245CC..Hα-helixtrans-61.1-41.1179.8-49.60000110.5H139 L140 L146 Y166H139-T142 PolarHBondContact O-N 3.49Å; L140-T142 PolarHBondContact O-N 3.19Å; T142-L146 HydrophobicContact CG2-CD1 3.88Å; T142-L146 WeakPolarHBondContact O-CB 3.38Å; T142-L146 WeakPolarHBondContact O-CD1 3.44Å; T142-L146 PolarHBondContact O-N 3.44Å; T142-Y166 HydrophobicContact CG2-CE1 4.4Å
143V88.9Confident83.3Confident3 Ų355.7 Ų55.72%0.01827%0.272CS..Hα-helixtrans-65-43.2178.4179.10000111.5I138 H139 L140 W141 A147 I167 V450 I454I138-V143 HydrophobicContact CG2-CG2 4.19Å; H139-V143 PolarHBondContact O-N 3.17Å; L140-V143 PolarHBondContact O-N 2.89Å; W141-V143 VanDerWaalsContact C-N 3.27Å; W141-V143 PolarHBondContact O-N 3.25Å; V143-A147 WeakPolarHBondContact O-CB 3.26Å; V143-A147 PolarHBondContact O-N 3.43Å; V143-I167 HydrophobicContact CG1-CG2 3.95Å; V143-V450 HydrophobicContact CG1-CG1 4.03Å; V143-I454 HydrophobicContact CG1-CD1 4.08Å
144M88.6Confident82.7Confident1 Ų164 Ų641%0.00531%0.31CS..Hα-helixtrans-71.3-38.7178.7-65.5-55.4102.600112.7T24 D25 L140 W141 A147 S148 V450 L453 I454T24-M144 WeakPolarHBondContact O-CG 3.49Å; D25-M144 HydrophobicContact CB-CG 4.26Å; L140-M144 HydrophobicContact CD1-CE 3.89Å; L140-M144 HydrophobicContact CD1-CG 4.41Å; L140-M144 HydrophobicContact CG-CG 4.28Å; L140-M144 WeakPolarHBondContact O-CG 3.49Å; L140-M144 PolarHBondContact O-N 3.37Å; W141-M144 PolarHBondContact O-N 3.38Å; M144-A147 PolarHBondContact O-N 3.25Å; M144-S148 WeakPolarHBondContact O-CB 3.31Å; M144-S148 PolarHBondContact O-N 3.05Å; M144-V450 HydrophobicContact CE-CG1 4.02Å; M144-L453 HydrophobicContact CE-CD2 4.33Å; M144-L453 HydrophobicContact CG-CD2 4.29Å; M144-L453 HydrophobicContact SD-CB 4.42Å; M144-L453 HydrophobicContact SD-CD2 3.81Å; M144-L453 HydrophobicContact SD-CG 4.02Å; M144-I454 HydrophobicContact CE-CB 4.49Å; M144-I454 HydrophobicContact CE-CD1 3.92Å; M144-I454 HydrophobicContact CE-CG1 3.22Å; M144-I454 HydrophobicContact SD-CG1 3.92Å
145D87.3Confident82.4Confident45 Ų4557.1 Ų57.124%0.24129%0.286CS..Hα-helixtrans-64.8-47.6179.1-175.868.7000111.2W141 A147 S148 K149W141-D145 WeakPolarHBondContact O-CB 3.42Å; W141-D145 PolarHBondContact O-N 3.41Å; D145-A147 VanDerWaalsContact C-N 3.33Å; D145-A147 PolarHBondContact O-N 3.05Å; D145-S148 PolarHBondContact O-N 3.34Å; D145-K149 WeakPolarHBondContact O-CG 3.48Å; D145-K149 PolarHBondContact O-N 3.36Å; D145-K149 IonicContact OD1-NZ 3.96Å; D145-K149 WeakPolarHBondContact OD2-CE 3.26Å; D145-K149 IonicContact OD2-NZ 2.77Å; D145-K149 PolarHBondContact OD2-NZ 3.17Å
146L88.3Confident82.2Confident22 Ų2257.1 Ų57.112%0.11529%0.293CS..Hα-helixtrans-66.4-35.8174.9-86.572.6000111.8T142 S148 K149 A150 Y166 I167T142-L146 HydrophobicContact CG2-CD1 3.88Å; T142-L146 WeakPolarHBondContact O-CB 3.38Å; T142-L146 WeakPolarHBondContact O-CD1 3.44Å; T142-L146 PolarHBondContact O-N 3.44Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-K149 PolarHBondContact O-N 3.01Å; L146-A150 VanDerWaalsContact O-CB 3.25Å; L146-A150 WeakPolarHBondContact O-CB 3.49Å; L146-A150 PolarHBondContact O-N 2.92Å; L146-Y166 HydrophobicContact CD2-CD1 3.28Å; L146-Y166 HydrophobicContact CD2-CE1 3.89Å; L146-Y166 HydrophobicContact CD2-CG 4.02Å; L146-I167 HydrophobicContact CB-CD1 3.79Å; L146-I167 HydrophobicContact CB-CG1 3.82Å; L146-I167 HydrophobicContact CD2-CG1 4.29Å
147A88.3Confident82.3Confident0 Ų063.1 Ų63.10%032%0.324CS..Hα-helixtrans-66.5-38.2176.600000111.5V143 M144 D145 A150 G151 I167 I454 V458V143-A147 WeakPolarHBondContact O-CB 3.26Å; V143-A147 PolarHBondContact O-N 3.43Å; M144-A147 PolarHBondContact O-N 3.25Å; D145-A147 VanDerWaalsContact C-N 3.33Å; D145-A147 PolarHBondContact O-N 3.05Å; A147-A150 PolarHBondContact O-N 3.27Å; A147-G151 PolarHBondContact O-N 3.08Å; A147-I167 HydrophobicContact CB-CD1 4.1Å; A147-I454 HydrophobicContact CB-CG1 4.42Å; A147-I454 HydrophobicContact CB-CG2 4.18Å; A147-V458 HydrophobicContact CB-CG2 4.12Å; A147-V458 VanDerWaalsContact O-CG1 3.28Å; A147-V458 WeakPolarHBondContact O-CG1 3.37Å
148S87.3Confident82.5Confident37 Ų3764.3 Ų64.326%0.25933%0.333SS..Hα-helixtrans-62.6-49.6174.5-166.30000110.8M144 D145 L146 A150 G151 D152M144-S148 WeakPolarHBondContact O-CB 3.31Å; M144-S148 PolarHBondContact O-N 3.05Å; D145-S148 PolarHBondContact O-N 3.34Å; L146-S148 VanDerWaalsContact C-N 3.34Å; S148-A150 VanDerWaalsContact C-N 3.31Å; S148-A150 PolarHBondContact O-N 2.83Å; S148-G151 WeakPolarHBondContact O-CA 3.48Å; S148-G151 PolarHBondContact O-N 3.05Å; S148-D152 PolarHBondContact O-N 3.26Å
149K87Confident82.6Confident89 Ų8965.6 Ų65.639%0.38734%0.344SS..Hα-helixtrans-58.2-43.6176.5-72168.3176.4164.90111.9D145 L146 G151 D152D145-K149 WeakPolarHBondContact O-CG 3.48Å; D145-K149 PolarHBondContact O-N 3.36Å; D145-K149 IonicContact OD1-NZ 3.96Å; D145-K149 WeakPolarHBondContact OD2-CE 3.26Å; D145-K149 IonicContact OD2-NZ 2.77Å; D145-K149 PolarHBondContact OD2-NZ 3.17Å; L146-K149 PolarHBondContact O-N 3.01Å; K149-G151 PolarHBondContact O-N 3.27Å; K149-G151 VanDerWaalsContact O-N 3.1Å; K149-D152 PolarHBondContact O-N 3.46Å; K149-D152 VanDerWaalsContact O-N 3.12Å
150A86.2Confident82.6Confident10 Ų1063.3 Ų63.38%0.08333%0.334CS..THydrogen-bonded Turntrans-61.7-15174.600000114.7L146 A147 S148 E155 H163 L164L146-A150 VanDerWaalsContact O-CB 3.25Å; L146-A150 WeakPolarHBondContact O-CB 3.49Å; L146-A150 PolarHBondContact O-N 2.92Å; A147-A150 PolarHBondContact O-N 3.27Å; S148-A150 VanDerWaalsContact C-N 3.31Å; S148-A150 PolarHBondContact O-N 2.83Å; A150-E155 WeakPolarHBondContact CA-OE2 3.4Å; A150-E155 PolarHBondContact N-OE2 3.43Å; A150-H163 HydrophobicContact CB-CB 4.28Å; A150-L164 HydrophobicContact CB-CD2 4.33Å; A150-L164 HydrophobicContact CB-CG 4.25Å
151G82.2Confident82.5Confident38 Ų3866.7 Ų66.739%0.39236%0.355SS..THydrogen-bonded Turntrans-101.7-13.7176.600000115.4A147 S148 K149 L153A147-G151 PolarHBondContact O-N 3.08Å; S148-G151 WeakPolarHBondContact O-CA 3.48Å; S148-G151 PolarHBondContact O-N 3.05Å; K149-G151 PolarHBondContact O-N 3.27Å; K149-G151 VanDerWaalsContact O-N 3.1Å; G151-L153 PolarHBondContact O-N 2.98Å
152D83.4Confident82.5Confident93 Ų9364.2 Ų64.250%0.49735%0.351SS..  trans-70.2131.1179.8-71.5-27000109.9S148 K149 E154 E155S148-D152 PolarHBondContact O-N 3.26Å; K149-D152 PolarHBondContact O-N 3.46Å; K149-D152 VanDerWaalsContact O-N 3.12Å; D152-E154 PolarHBondContact O-N 3.3Å; D152-E155 PolarHBondContact O-N 2.89Å; D152-E155 VanDerWaalsContact O-N 3.17Å
153L71.4Confident82.6Confident183 Ų18364.8 Ų64.896%0.95835%0.351SS*.THydrogen-bonded Turntrans-62.4-26.2-174.2-172.969.4000113G151 E155G151-L153 PolarHBondContact O-N 2.98Å; L153-E155 VanDerWaalsContact C-N 3.25Å; L153-E155 PolarHBondContact O-N 3.39Å
154E70.6Confident82.5Confident190 Ų19065.1 Ų65.189%0.88835%0.353SS*.THydrogen-bonded Turntrans-76.8-13.3-177.3-167.2167.6-17000112.7D152 T156D152-E154 PolarHBondContact O-N 3.3Å; E154-T156 PolarHBondContact O-N 3.17Å
155E73.1Confident82.4Confident39 Ų3969.5 Ų69.518%0.18237%0.373CS..SBendtrans-73.5133.4-177.1-167.8175.9-149.500112.5A150 D152 L153 L157 S159 S160 H163A150-E155 WeakPolarHBondContact CA-OE2 3.4Å; A150-E155 PolarHBondContact N-OE2 3.43Å; D152-E155 PolarHBondContact O-N 2.89Å; D152-E155 VanDerWaalsContact O-N 3.17Å; L153-E155 VanDerWaalsContact C-N 3.25Å; L153-E155 PolarHBondContact O-N 3.39Å; E155-L157 PolarHBondContact O-N 3.25Å; E155-S159 WeakPolarHBondContact OE1-CB 3.36Å; E155-S159 PolarHBondContact OE1-OG 3.49Å; E155-S160 VanDerWaalsContact CD-OG 3.31Å; E155-S160 WeakPolarHBondContact CG-OG 3.48Å; E155-S160 WeakPolarHBondContact OE2-CA 3.36Å; E155-S160 WeakPolarHBondContact OE2-CB 3.4Å; E155-S160 PolarHBondContact OE2-N 2.91Å; E155-S160 PolarHBondContact OE2-OG 3.04Å; E155-H163 IonicContact OE1-CE1 3.89Å; E155-H163 PolarHBondContact OE1-CE1 3.22Å; E155-H163 IonicContact OE1-CG 2.87Å; E155-H163 IonicContact OE1-ND1 2.83Å; E155-H163 PolarHBondContact OE1-ND1 3.44Å; E155-H163 IonicContact OE2-ND1 2.83Å
156T73.9Confident82.4Confident104 Ų10473.4 Ų73.464%0.63839%0.385SS*.  trans-60.3131.8172.2-580000109.9E154 H158 S159 S160E154-T156 PolarHBondContact O-N 3.17Å; T156-H158 HydrophobicContact CG2-CB 4.38Å; T156-H158 PolarHBondContact O-N 3.05Å; T156-S159 WeakPolarHBondContact O-CA 3.24Å; T156-S159 WeakPolarHBondContact O-CB 3.42Å; T156-S159 PolarHBondContact O-N 2.88Å; T156-S160 PolarHBondContact O-N 3.39Å; T156-S160 VanDerWaalsContact O-N 3.13Å
157L77.9Confident82.4Confident133 Ų13372.4 Ų72.470%0.69638%0.38SS*.Hα-helixtrans-46.5-38.1-178.5-177.967.1000113.6E155 V161E155-L157 PolarHBondContact O-N 3.25Å; L157-V161 VanDerWaalsContact O-CG2 3.31Å; L157-V161 WeakPolarHBondContact O-CG2 3.26Å; L157-V161 PolarHBondContact O-N 2.74Å
158H79.1Confident82.4Confident126 Ų12672.4 Ų72.458%0.58338%0.38SS*.Hα-helixtrans-66.8-41.1177.5-171.657.9000112.9T156 V161 N162T156-H158 HydrophobicContact CG2-CB 4.38Å; T156-H158 PolarHBondContact O-N 3.05Å; H158-V161 PolarHBondContact O-N 3.46Å; H158-N162 PolarHBondContact CD2-ND2 3.07Å; H158-N162 PolarHBondContact NE2-ND2 2.79Å; H158-N162 VanDerWaalsContact NE2-ND2 3.14Å; H158-N162 PolarHBondContact O-N 2.97Å; H158-N162 PolarHBondContact O-ND2 3.25Å
159S80.7Confident82.3Confident41 Ų4175.2 Ų75.229%0.28739%0.388SS..Hα-helixtrans-65-42.5176-174.40000111E155 T156 V161 N162 H163E155-S159 WeakPolarHBondContact OE1-CB 3.36Å; E155-S159 PolarHBondContact OE1-OG 3.49Å; T156-S159 WeakPolarHBondContact O-CA 3.24Å; T156-S159 WeakPolarHBondContact O-CB 3.42Å; T156-S159 PolarHBondContact O-N 2.88Å; S159-V161 VanDerWaalsContact C-N 3.32Å; S159-V161 PolarHBondContact O-N 3.06Å; S159-N162 PolarHBondContact O-N 3.45Å; S159-N162 VanDerWaalsContact O-N 3.15Å; S159-H163 PolarHBondContact O-N 2.95Å; S159-H163 PolarHBondContact O-ND1 2.96Å; S159-H163 PolarHBondContact OG-CE1 3.39Å
160S81.9Confident82.3Confident14 Ų1472.8 Ų72.810%0.09838%0.378CS..Hα-helixtrans-61.6-39.6174.9-49.50000112.2E155 T156 L164E155-S160 VanDerWaalsContact CD-OG 3.31Å; E155-S160 WeakPolarHBondContact CG-OG 3.48Å; E155-S160 WeakPolarHBondContact OE2-CA 3.36Å; E155-S160 WeakPolarHBondContact OE2-CB 3.4Å; E155-S160 PolarHBondContact OE2-N 2.91Å; E155-S160 PolarHBondContact OE2-OG 3.04Å; T156-S160 PolarHBondContact O-N 3.39Å; T156-S160 VanDerWaalsContact O-N 3.13Å; S160-L164 VanDerWaalsContact O-CB 3.32Å; S160-L164 WeakPolarHBondContact O-CB 3.24Å; S160-L164 WeakPolarHBondContact O-CD1 3.26Å; S160-L164 WeakPolarHBondContact O-CG 3.01Å; S160-L164 PolarHBondContact O-N 3.15Å
161V84.7Confident82.3Confident75 Ų7572.6 Ų72.646%0.45538%0.375SS..Hα-helixtrans-64.3-43.5174.7171.40000111.1L157 H158 S159 L164 E165L157-V161 VanDerWaalsContact O-CG2 3.31Å; L157-V161 WeakPolarHBondContact O-CG2 3.26Å; L157-V161 PolarHBondContact O-N 2.74Å; H158-V161 PolarHBondContact O-N 3.46Å; S159-V161 VanDerWaalsContact C-N 3.32Å; S159-V161 PolarHBondContact O-N 3.06Å; V161-L164 PolarHBondContact O-N 2.93Å; V161-E165 WeakPolarHBondContact O-CB 3.43Å; V161-E165 PolarHBondContact O-N 3.45Å
162N86.3Confident82.4Confident70 Ų7072.9 Ų72.937%0.37437%0.366SS..Hα-helixtrans-64.2-42.1177.8-66.9-19.5000111.8H158 S159 E165 Y166H158-N162 PolarHBondContact CD2-ND2 3.07Å; H158-N162 PolarHBondContact NE2-ND2 2.79Å; H158-N162 VanDerWaalsContact NE2-ND2 3.14Å; H158-N162 PolarHBondContact O-N 2.97Å; H158-N162 PolarHBondContact O-ND2 3.25Å; S159-N162 PolarHBondContact O-N 3.45Å; S159-N162 VanDerWaalsContact O-N 3.15Å; N162-E165 PolarHBondContact O-N 2.99Å; N162-Y166 WeakPolarHBondContact O-CB 3.44Å; N162-Y166 PolarHBondContact O-N 3.42Å
163H86.5Confident82.3Confident48 Ų4872.1 Ų72.122%0.22236%0.363CS..Hα-helixtrans-63.8-45174.4-72.9146.8000112.1A150 E155 S159 E165 Y166 I167A150-H163 HydrophobicContact CB-CB 4.28Å; E155-H163 IonicContact OE1-CE1 3.89Å; E155-H163 PolarHBondContact OE1-CE1 3.22Å; E155-H163 IonicContact OE1-CG 2.87Å; E155-H163 IonicContact OE1-ND1 2.83Å; E155-H163 PolarHBondContact OE1-ND1 3.44Å; E155-H163 IonicContact OE2-ND1 2.83Å; S159-H163 PolarHBondContact O-N 2.95Å; S159-H163 PolarHBondContact O-ND1 2.96Å; S159-H163 PolarHBondContact OG-CE1 3.39Å; H163-E165 VanDerWaalsContact C-N 3.34Å; H163-E165 PolarHBondContact O-N 3.44Å; H163-Y166 PolarHBondContact O-N 2.95Å; H163-I167 WeakPolarHBondContact O-CD1 3.44Å; H163-I167 VanDerWaalsContact O-CG1 3.24Å; H163-I167 WeakPolarHBondContact O-CG1 3.49Å; H163-I167 PolarHBondContact O-N 2.91Å
164L87.4Confident82.7Confident9 Ų963.9 Ų63.95%0.04732%0.321CS..Hα-helixtrans-60.7-43.6175.4-72.8169.1000111.4A150 S160 V161 I167 V168 I462 K465 I466 L469A150-L164 HydrophobicContact CB-CD2 4.33Å; A150-L164 HydrophobicContact CB-CG 4.25Å; S160-L164 VanDerWaalsContact O-CB 3.32Å; S160-L164 WeakPolarHBondContact O-CB 3.24Å; S160-L164 WeakPolarHBondContact O-CD1 3.26Å; S160-L164 WeakPolarHBondContact O-CG 3.01Å; S160-L164 PolarHBondContact O-N 3.15Å; V161-L164 PolarHBondContact O-N 2.93Å; L164-I167 PolarHBondContact O-N 3.09Å; L164-V168 WeakPolarHBondContact O-CB 3.49Å; L164-V168 VanDerWaalsContact O-CG2 3.22Å; L164-V168 WeakPolarHBondContact O-CG2 3.33Å; L164-V168 PolarHBondContact O-N 3.49Å; L164-I462 HydrophobicContact CD2-CG2 4.26Å; L164-K465 HydrophobicContact CD1-CB 4.4Å; L164-K465 HydrophobicContact CD1-CD 4.07Å; L164-I466 HydrophobicContact CD2-CD1 3.95Å; L164-I466 HydrophobicContact CD2-CG1 3.41Å; L164-I466 VanDerWaalsContact CD2-CG1 3.41Å; L164-L469 HydrophobicContact CB-CD1 4.11Å
165E86.8Confident83.1Confident93 Ų9355.9 Ų55.944%0.43528%0.284SS..Hα-helixtrans-64.2-41.5177.1176.8158.3-149.500112.1V161 N162 H163 V168 K169 R473V161-E165 WeakPolarHBondContact O-CB 3.43Å; V161-E165 PolarHBondContact O-N 3.45Å; N162-E165 PolarHBondContact O-N 2.99Å; H163-E165 VanDerWaalsContact C-N 3.34Å; H163-E165 PolarHBondContact O-N 3.44Å; E165-V168 PolarHBondContact O-N 3.15Å; E165-K169 WeakPolarHBondContact O-CB 3.47Å; E165-K169 PolarHBondContact O-N 3.45Å; E165-R473 IonicContact OE1-NH2 3.77Å; E165-R473 PolarHBondContact OE1-NH2 3.29Å
166Y87.4Confident83.2Confident127 Ų12756.2 Ų56.250%0.49829%0.287SS..Hα-helixtrans-62-44.4174.7-175.8-86.8000111.7T142 L146 N162 H163 V168 K169 H170T142-Y166 HydrophobicContact CG2-CE1 4.4Å; L146-Y166 HydrophobicContact CD2-CD1 3.28Å; L146-Y166 HydrophobicContact CD2-CE1 3.89Å; L146-Y166 HydrophobicContact CD2-CG 4.02Å; N162-Y166 WeakPolarHBondContact O-CB 3.44Å; N162-Y166 PolarHBondContact O-N 3.42Å; H163-Y166 PolarHBondContact O-N 2.95Å; Y166-V168 PolarHBondContact O-N 2.91Å; Y166-K169 PolarHBondContact O-N 3.48Å; Y166-H170 WeakPolarHBondContact O-CB 3.43Å; Y166-H170 PolarHBondContact O-N 3.29Å
167I87.8Confident83.1Confident1 Ų155.5 Ų55.51%0.00528%0.278CS..Hα-helixtrans-59.1-47.8175.1-69.1161.7000110.6V143 L146 A147 H163 L164 K169 H170 L171 I466V143-I167 HydrophobicContact CG1-CG2 3.95Å; L146-I167 HydrophobicContact CB-CD1 3.79Å; L146-I167 HydrophobicContact CB-CG1 3.82Å; L146-I167 HydrophobicContact CD2-CG1 4.29Å; A147-I167 HydrophobicContact CB-CD1 4.1Å; H163-I167 WeakPolarHBondContact O-CD1 3.44Å; H163-I167 VanDerWaalsContact O-CG1 3.24Å; H163-I167 WeakPolarHBondContact O-CG1 3.49Å; H163-I167 PolarHBondContact O-N 2.91Å; L164-I167 PolarHBondContact O-N 3.09Å; I167-K169 PolarHBondContact O-N 3.1Å; I167-H170 PolarHBondContact O-N 2.74Å; I167-L171 HydrophobicContact CG2-CD1 3.88Å; I167-L171 HydrophobicContact CG2-CG 4.37Å; I167-L171 WeakPolarHBondContact O-CB 3.41Å; I167-L171 WeakPolarHBondContact O-CG 3.14Å; I167-L171 PolarHBondContact O-N 3.06Å; I167-I466 HydrophobicContact CD1-CD1 4.38Å; I167-I466 HydrophobicContact CG2-CD1 4.1Å; I167-I466 HydrophobicContact CG2-CG2 4.36Å
168V88Confident82.6Confident0 Ų050.5 Ų50.50%025%0.25CC..Hα-helixtrans-60.3-47.2179.4168.10000110.3L164 E165 Y166 H170 L171 E172 I466 L469 I470L164-V168 WeakPolarHBondContact O-CB 3.49Å; L164-V168 VanDerWaalsContact O-CG2 3.22Å; L164-V168 WeakPolarHBondContact O-CG2 3.33Å; L164-V168 PolarHBondContact O-N 3.49Å; E165-V168 PolarHBondContact O-N 3.15Å; Y166-V168 PolarHBondContact O-N 2.91Å; V168-H170 PolarHBondContact O-N 3.21Å; V168-L171 PolarHBondContact O-N 2.8Å; V168-E172 HydrophobicContact CG1-CG 4.3Å; V168-E172 WeakPolarHBondContact O-CB 3.45Å; V168-E172 VanDerWaalsContact O-CG 3.29Å; V168-E172 WeakPolarHBondContact O-CG 3.25Å; V168-E172 PolarHBondContact O-N 2.97Å; V168-I466 HydrophobicContact CG2-CG2 4.11Å; V168-L469 HydrophobicContact CG2-CB 3.85Å; V168-L469 HydrophobicContact CG2-CD1 4.08Å; V168-I470 HydrophobicContact CB-CG1 4.48Å; V168-I470 HydrophobicContact CG1-CG1 3.93Å; V168-I470 HydrophobicContact CG2-CG1 4.09Å
169K86.8Confident82.1Confident97 Ų9747.9 Ų47.942%0.42224%0.238SC..Hα-helixtrans-60.4-45.1177.2-177.4172.1179.3164.70111.9E165 Y166 I167 L171 E172 D173E165-K169 WeakPolarHBondContact O-CB 3.47Å; E165-K169 PolarHBondContact O-N 3.45Å; Y166-K169 PolarHBondContact O-N 3.48Å; I167-K169 PolarHBondContact O-N 3.1Å; K169-L171 VanDerWaalsContact C-N 3.35Å; K169-L171 PolarHBondContact O-N 2.75Å; K169-E172 PolarHBondContact O-N 3.03Å; K169-D173 WeakPolarHBondContact O-CB 3.21Å; K169-D173 PolarHBondContact O-N 2.97Å
170H87Confident81.6Confident37 Ų3754.1 Ų54.117%0.17126%0.255CS..Hα-helixtrans-63.5-40.1178.2-175.3-81.9000112.1Y166 I167 V168 A174Y166-H170 WeakPolarHBondContact O-CB 3.43Å; Y166-H170 PolarHBondContact O-N 3.29Å; I167-H170 PolarHBondContact O-N 2.74Å; V168-H170 PolarHBondContact O-N 3.21Å; H170-A174 WeakPolarHBondContact O-CB 3.43Å; H170-A174 PolarHBondContact O-N 3.09Å; H170-A174 VanDerWaalsContact O-N 3.16Å
171L85.1Confident80.7Confident6 Ų657.2 Ų57.23%0.03127%0.265CS..Hα-helixtrans-66.1-44.7173.1-72.4173.1000111.3I138 I167 V168 K169 D173 A174 L175 V450 I466 I470I138-L171 HydrophobicContact CG2-CD2 4.19Å; I167-L171 HydrophobicContact CG2-CD1 3.88Å; I167-L171 HydrophobicContact CG2-CG 4.37Å; I167-L171 WeakPolarHBondContact O-CB 3.41Å; I167-L171 WeakPolarHBondContact O-CG 3.14Å; I167-L171 PolarHBondContact O-N 3.06Å; V168-L171 PolarHBondContact O-N 2.8Å; K169-L171 VanDerWaalsContact C-N 3.35Å; K169-L171 PolarHBondContact O-N 2.75Å; L171-D173 PolarHBondContact O-N 3.26Å; L171-A174 PolarHBondContact O-N 3.44Å; L171-L175 WeakPolarHBondContact O-CB 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.3Å; L171-L175 PolarHBondContact O-N 2.97Å; L171-V450 HydrophobicContact CD2-CG1 4.19Å; L171-I466 HydrophobicContact CD1-CG2 4.11Å; L171-I470 HydrophobicContact CD1-CD1 4.09Å
172E83.8Confident79.7Confident44 Ų4459.2 Ų59.221%0.20627%0.268CS..Hα-helixtrans-59.2-47177.2-76.3178.9151.100111.6V168 K169 A174 L175 I176 R473V168-E172 HydrophobicContact CG1-CG 4.3Å; V168-E172 WeakPolarHBondContact O-CB 3.45Å; V168-E172 VanDerWaalsContact O-CG 3.29Å; V168-E172 WeakPolarHBondContact O-CG 3.25Å; V168-E172 PolarHBondContact O-N 2.97Å; K169-E172 PolarHBondContact O-N 3.03Å; E172-A174 VanDerWaalsContact C-N 3.32Å; E172-A174 PolarHBondContact O-N 2.89Å; E172-L175 CarbonylContact O-C 3.54Å; E172-L175 PolarHBondContact O-N 3.42Å; E172-L175 VanDerWaalsContact O-N 3.11Å; E172-I176 WeakPolarHBondContact O-CB 3.47Å; E172-I176 WeakPolarHBondContact O-CG1 3.31Å; E172-I176 PolarHBondContact O-N 3.19Å; E172-R473 WeakPolarHBondContact OE1-CD 3.21Å; E172-R473 IonicContact OE2-CZ 2.84Å; E172-R473 IonicContact OE2-NH1 3.76Å; E172-R473 PolarHBondContact OE2-NH1 3.43Å
173D82Confident78.7Confident78 Ų7857.9 Ų57.942%0.41726%0.259SS..Hα-helixtrans-59.1-44.8177.4-74.3-23.9000111K169 L171 L175 I176 I177K169-D173 WeakPolarHBondContact O-CB 3.21Å; K169-D173 PolarHBondContact O-N 2.97Å; L171-D173 PolarHBondContact O-N 3.26Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.36Å; D173-I176 PolarHBondContact O-N 3.29Å; D173-I177 WeakPolarHBondContact O-CD1 2.8Å; D173-I177 WeakPolarHBondContact O-CG1 3.05Å; D173-I177 PolarHBondContact O-N 2.67Å
174A80.1Confident77.4Confident10 Ų1058.5 Ų58.58%0.08327%0.269CS..Hα-helixtrans-62.5-39.7175.300000112.6I138 H170 L171 E172 R178I138-A174 HydrophobicContact CD1-CB 4.36Å; I138-A174 HydrophobicContact CG1-CB 3.57Å; H170-A174 WeakPolarHBondContact O-CB 3.43Å; H170-A174 PolarHBondContact O-N 3.09Å; H170-A174 VanDerWaalsContact O-N 3.16Å; L171-A174 PolarHBondContact O-N 3.44Å; E172-A174 VanDerWaalsContact C-N 3.32Å; E172-A174 PolarHBondContact O-N 2.89Å; A174-R178 WeakPolarHBondContact O-CB 3.2Å; A174-R178 PolarHBondContact O-N 3.2Å
175L78.2Confident76Confident21 Ų2163.5 Ų63.511%0.1129%0.292CS..Hα-helixtrans-71.5-34.1177.4-67.2175.7000112.7L171 E172 D173 R178 H179 I442 L443L171-L175 WeakPolarHBondContact O-CB 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.3Å; L171-L175 PolarHBondContact O-N 2.97Å; E172-L175 CarbonylContact O-C 3.54Å; E172-L175 PolarHBondContact O-N 3.42Å; E172-L175 VanDerWaalsContact O-N 3.11Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.36Å; L175-R178 WeakPolarHBondContact O-CB 2.92Å; L175-R178 PolarHBondContact O-N 2.97Å; L175-H179 PolarHBondContact O-N 3.36Å; L175-H179 VanDerWaalsContact O-N 3.09Å; L175-I442 WeakPolarHBondContact CD2-O 3.46Å; L175-L443 HydrophobicContact CD1-CD1 4.28Å; L175-L443 WeakPolarHBondContact CD2-O 3.41Å
176I75.4Confident74.7Confident47 Ų4763.9 Ų63.924%0.24129%0.292CS..Hα-helixtrans-69.3-47.8177.9-72.3163.3000110.4E172 D173 R178 H179 R180E172-I176 WeakPolarHBondContact O-CB 3.47Å; E172-I176 WeakPolarHBondContact O-CG1 3.31Å; E172-I176 PolarHBondContact O-N 3.19Å; D173-I176 PolarHBondContact O-N 3.29Å; I176-R178 PolarHBondContact O-N 3.45Å; I176-H179 PolarHBondContact O-N 2.84Å; I176-R180 PolarHBondContact O-N 2.69Å
177I73.1Confident73.1Confident88 Ų8863 Ų6345%0.45130%0.296SS..Hα-helixtrans-58.7-37.2178.1-64.1164.8000109.9D173 Y181D173-I177 WeakPolarHBondContact O-CD1 2.8Å; D173-I177 WeakPolarHBondContact O-CG1 3.05Å; D173-I177 PolarHBondContact O-N 2.67Å; I177-Y181 PolarHBondContact O-N 3.27Å
178R67.6Low71.7Confident29 Ų2969.1 Ų69.111%0.10933%0.329CS..Hα-helixtrans-62-43.6173.3171.6-174.8171.8-158.1-10.3112.8A174 L175 I176 Y181 K182 N240 L443A174-R178 WeakPolarHBondContact O-CB 3.2Å; A174-R178 PolarHBondContact O-N 3.2Å; L175-R178 WeakPolarHBondContact O-CB 2.92Å; L175-R178 PolarHBondContact O-N 2.97Å; I176-R178 PolarHBondContact O-N 3.45Å; R178-Y181 PolarHBondContact O-N 3.17Å; R178-K182 PolarHBondContact O-N 2.57Å; R178-N240 WeakPolarHBondContact CD-OD1 3.5Å; R178-N240 VanDerWaalsContact CG-OD1 3.25Å; R178-N240 WeakPolarHBondContact CG-OD1 3.02Å; R178-N240 PolarHBondContact NE-OD1 2.79Å; R178-N240 VanDerWaalsContact NH2-CB 3.34Å; R178-N240 PolarHBondContact NH2-ND2 2.86Å; R178-N240 VanDerWaalsContact NH2-ND2 3.17Å; R178-L443 PolarHBondContact NH1-O 2.91Å
179H68Low70.2Confident71 Ų7173.3 Ų73.333%0.32936%0.358SS..Hα-helixtrans-67.6-40.2180-131.883.7000112.4L175 I176 Y181 K182 Q183L175-H179 PolarHBondContact O-N 3.36Å; L175-H179 VanDerWaalsContact O-N 3.09Å; I176-H179 PolarHBondContact O-N 2.84Å; H179-Y181 VanDerWaalsContact C-N 3.32Å; H179-Y181 PolarHBondContact O-N 3.23Å; H179-K182 PolarHBondContact O-N 3.39Å; H179-Q183 PolarHBondContact O-N 3.41Å
180R69Low68.2Low172 Ų17271.5 Ų71.565%0.64936%0.358SS*.Hα-helixtrans-60.8-40.3176.9-65.4-173.2-156.6-151.67.3112.1I176 Q183 S184I176-R180 PolarHBondContact O-N 2.69Å; R180-Q183 PolarHBondContact O-N 2.94Å; R180-S184 PolarHBondContact O-N 2.8Å
181Y64.4Low66.1Low78 Ų7878 Ų7831%0.30639%0.392SS..Hα-helixtrans-65.8-43.6178.9-168-104.8000112.5I177 R178 H179 Q183 S184 H185 Q238I177-Y181 PolarHBondContact O-N 3.27Å; R178-Y181 PolarHBondContact O-N 3.17Å; H179-Y181 VanDerWaalsContact C-N 3.32Å; H179-Y181 PolarHBondContact O-N 3.23Å; Y181-Q183 PolarHBondContact O-N 3.44Å; Y181-S184 PolarHBondContact O-N 3.33Å; Y181-H185 PolarHBondContact O-N 2.86Å; Y181-Q238 HydrophobicContact CD1-CB 4.27Å; Y181-Q238 HydrophobicContact CE1-CB 3.85Å; Y181-Q238 HydrophobicContact CE1-CG 4.2Å; Y181-Q238 VanDerWaalsContact CE1-OE1 3.31Å; Y181-Q238 VanDerWaalsContact CZ-CD 3.48Å; Y181-Q238 VanDerWaalsContact OH-CD 3.23Å; Y181-Q238 PolarHBondContact OH-NE2 3.48Å; Y181-Q238 PolarHBondContact OH-OE1 3.04Å
182K64.2Low63.7Low118 Ų11882.2 Ų82.251%0.51342%0.421SS..Hα-helixtrans-59.8-34.5176.6-168.5177.2-178.1-1770111.9R178 H179 K186R178-K182 PolarHBondContact O-N 2.57Å; H179-K182 PolarHBondContact O-N 3.39Å; K182-K186 PolarHBondContact O-N 2.73Å
183Q63.8Low61.5Low41 Ų4187.8 Ų87.819%0.19245%0.451CS..Hα-helixtrans-73.3-44.1177.1-174.115579.300112.9H179 R180 Y181 H185 K186 N187 I218H179-Q183 PolarHBondContact O-N 3.41Å; R180-Q183 PolarHBondContact O-N 2.94Å; Y181-Q183 PolarHBondContact O-N 3.44Å; Q183-H185 VanDerWaalsContact C-N 3.25Å; Q183-H185 PolarHBondContact O-N 3.08Å; Q183-K186 PolarHBondContact O-N 2.97Å; Q183-N187 PolarHBondContact O-N 3.46Å; Q183-N187 VanDerWaalsContact O-N 3.1Å; Q183-I218 HydrophobicContact CG-CG2 4.43Å; Q183-I218 PolarHBondContact NE2-O 3.46Å; Q183-I218 VanDerWaalsContact OE1-CB 3.3Å
184S58.9Low59.3Low62 Ų6288.3 Ų88.343%0.43447%0.466SS..Hα-helixtrans-59-38.7175.3-169.60000111.9R180 Y181 N188R180-S184 PolarHBondContact O-N 2.8Å; Y181-S184 PolarHBondContact O-N 3.33Å; S184-N188 PolarHBondContact O-N 2.77Å
185H59.6Low57.1Low113 Ų11396.6 Ų96.652%0.52350%0.503SS..Hα-helixtrans-71.4-30.8179.9-141.9-53.7000112.8Y181 Q183 S189Y181-H185 PolarHBondContact O-N 2.86Å; Q183-H185 VanDerWaalsContact C-N 3.25Å; Q183-H185 PolarHBondContact O-N 3.08Å; H185-S189 WeakPolarHBondContact O-CB 3.36Å; H185-S189 PolarHBondContact O-N 2.96Å; H185-S189 PolarHBondContact O-OG 3.23Å; H185-S189 VanDerWaalsContact O-OG 3.05Å
186K58.1Low55Low101 Ų101102.6 Ų102.644%0.43954%0.541SS..Hα-helixtrans-73.3-39.3176.9-163.8177178.7-174.40111.7K182 Q183 S189 S190 T222K182-K186 PolarHBondContact O-N 2.73Å; Q183-K186 PolarHBondContact O-N 2.97Å; K186-S189 WeakPolarHBondContact CA-OG 3.39Å; K186-S189 PolarHBondContact O-N 2.95Å; K186-S189 PolarHBondContact O-OG 3.46Å; K186-S190 PolarHBondContact O-N 3.13Å; K186-S190 PolarHBondContact O-OG 3.14Å; K186-T222 PolarHBondContact NZ-OG1 2.75Å
187N55.3Low53Low109 Ų109105.9 Ų105.958%0.58357%0.568SS**Hα-helixtrans-68.6-32.7177.8-69.51.3000112.3Q183 S190Q183-N187 PolarHBondContact O-N 3.46Å; Q183-N187 VanDerWaalsContact O-N 3.1Å; N187-S190 PolarHBondContact O-OG 2.99Å
188N58.1Low51.2Low130 Ų130108 Ų10870%0.69559%0.585SS**Hα-helixtrans-82.8-18.5176.2-70.3-2.1000113.6S184S184-N188 PolarHBondContact O-N 2.77Å
189S55.9Low49.6Very low88 Ų88111.4 Ų111.462%0.61561%0.613SS**THydrogen-bonded Turntrans-87.80.6175.260.30000114.2H185 K186H185-S189 WeakPolarHBondContact O-CB 3.36Å; H185-S189 PolarHBondContact O-N 2.96Å; H185-S189 PolarHBondContact O-OG 3.23Å; H185-S189 VanDerWaalsContact O-OG 3.05Å; K186-S189 WeakPolarHBondContact CA-OG 3.39Å; K186-S189 PolarHBondContact O-N 2.95Å; K186-S189 PolarHBondContact O-OG 3.46Å
190S45.7Very low48.2Very low59 Ų59113.9 Ų113.941%0.41364%0.638SS.*  trans-107.267.9176.7270000111.3K186 N187 S192K186-S190 PolarHBondContact O-N 3.13Å; K186-S190 PolarHBondContact O-OG 3.14Å; N187-S190 PolarHBondContact O-OG 2.99Å; S190-S192 PolarHBondContact O-N 3.34Å
191I41.7Very low46.5Very low174 Ų174111.1 Ų111.189%0.89265%0.645SS**  trans-71.977148.4-62.4173.8000106
192S35.8Very low45Very low93 Ų93115.4 Ų115.465%0.6567%0.67SS**  trans-161.454.4169.571.30000110.4S190S190-S192 PolarHBondContact O-N 3.34Å
193I37.7Very low43.6Very low162 Ų162116.4 Ų116.483%0.83168%0.681SS**  trans-136.379.5158.4-54.1179.3000106.8
194A34.6Very low42.1Very low88 Ų88120.4 Ų120.473%0.72771%0.709SS**  trans-133.5133.9154.400000104.7
195Q33.4Very low41Very low184 Ų184125.2 Ų125.286%0.8673%0.729SS**  trans88104.6-155.4-54.6170.1-3.900109.8
196T34.4Very low40Very low147 Ų147128.6 Ų128.690%0.90275%0.745SS**  cis-154.7116.742.1180000109.9
197S32.9Very low39Very low116 Ų116133.2 Ų133.281%0.81177%0.768SS**  trans-100.2101.6162.151.90000108.3
198V35.7Very low38Very low133 Ų133135.7 Ų135.781%0.80678%0.78SS**  trans-156.6122147.7179.60000109.1
199S34.1Very low36.9Very low101 Ų101136.6 Ų136.671%0.70678%0.783SS**  trans56.9108.8155.869.60000120.6
200S38.4Very low36Very low123 Ų123138.3 Ų138.386%0.8679%0.786SS**  173.1140.488.844.70000111
201S33.5Very low35.6Very low113 Ų113145 Ų14579%0.7981%0.807SS**  trans-69.5140.9-174.360.70000113.2
202M33.2Very low35.3Very low169 Ų169144 Ų14483%0.83380%0.803SS**  trans-163.3118.1137.1-110.7172.7115.300111.8
203N35.2Very low35.5Very low139 Ų139145.2 Ų145.274%0.74380%0.803SS**  trans48.5107147-63-5.6000120.6N205N203-N205 PolarHBondContact O-N 2.94Å
204T32Very low35.7Very low125 Ų125139.9 Ų139.977%0.76778%0.78SS**SBendtrans-37.5120.4145.448.30000112.5
205N36.9Very low36Very low162 Ų162143.6 Ų143.687%0.86678%0.775SS**  trans172.24.6143.6-84.7-12.8000114.3N203N203-N205 PolarHBondContact O-N 2.94Å
206E38.5Very low36.8Very low184 Ų184138.1 Ų138.186%0.8675%0.747SS**  trans-114.114.6-173.8-124.6178.2176.200116.1
207Q35.6Very low37.3Very low198 Ų198134.9 Ų134.993%0.92574%0.735SS**SBendtrans-92.25.7-174.7-80-168.2-20.600116.5
208I35.2Very low37.9Very low161 Ų161134.3 Ų134.383%0.82672%0.722SS**SBendtrans-115.4-6.7-171.5-62.9177.9000115.1
209I35Very low38.2Very low150 Ų150131.6 Ų131.677%0.76970%0.703SS**SBendtrans-11213.5-165.9-58.1176.5000115.9
210N37.3Very low38.5Very low123 Ų123130.7 Ų130.766%0.65869%0.694SS**  trans-132.126.4-176.5-95-39.3000117.2
211K36.6Very low38.4Very low200 Ų200130.6 Ų130.687%0.8768%0.684SS**SBendtrans-84.9-12.1176.7-153167.8179.8176.70114.5
212D35.8Very low38.7Very low152 Ų152129.4 Ų129.481%0.81367%0.672SS**SBendtrans-109.610-170.2-61.2-26.3000115.4
213N39.7Very low39Very low120 Ų120128.3 Ų128.364%0.64267%0.668SS**SBendtrans-103.784.5177-75.2-36.4000112.8
214S41.7Very low39.4Very low49 Ų49127.6 Ų127.634%0.34367%0.669SS.*  trans64.1122.2134-144.40000120.6Y216 A217S214-Y216 VanDerWaalsContact CB-OH 3.26Å; S214-Y216 WeakPolarHBondContact CB-OH 3.39Å; S214-Y216 PolarHBondContact O-N 3.49Å; S214-Y216 WeakPolarHBondContact OG-CE1 3.4Å; S214-Y216 VanDerWaalsContact OG-CZ 3.22Å; S214-Y216 PolarHBondContact OG-OH 2.95Å; S214-A217 PolarHBondContact O-N 2.77Å
215W40.5Very low39.6Very low166 Ų166129.3 Ų129.363%0.62967%0.673SS**THydrogen-bonded Turntrans-50.92.8-169.362.6-82.7000120.2V477W215-V477 HydrophobicContact CH2-CG1 4.38Å; W215-V477 HydrophobicContact CH2-CG2 4.07Å; W215-V477 HydrophobicContact CZ2-CG1 4.4Å; W215-V477 HydrophobicContact CZ2-CG2 3.79Å
216Y50.9Low40Very low69 Ų69132.4 Ų132.427%0.27167%0.673SS.*THydrogen-bonded Turntrans-109.1-0.4-17943.1-102.3000114.1S214 I218 V477S214-Y216 VanDerWaalsContact CB-OH 3.26Å; S214-Y216 WeakPolarHBondContact CB-OH 3.39Å; S214-Y216 PolarHBondContact O-N 3.49Å; S214-Y216 WeakPolarHBondContact OG-CE1 3.4Å; S214-Y216 VanDerWaalsContact OG-CZ 3.22Å; S214-Y216 PolarHBondContact OG-OH 2.95Å; Y216-I218 VanDerWaalsContact C-N 3.26Å; Y216-I218 PolarHBondContact O-N 3.17Å; Y216-V477 HydrophobicContact CD1-CG1 3.73Å; Y216-V477 HydrophobicContact CG-CG1 3.9Å
217A44.8Very low39.9Very low79 Ų79128.5 Ų128.565%0.65367%0.665SS**SBendtrans-75.4-8179.700000114.6S214S214-A217 PolarHBondContact O-N 2.77Å
218I45.9Very low40.4Very low104 Ų104130.2 Ų130.253%0.53366%0.664SS.*  trans-105.846.9-177.4-21.2176000112.3Q183 Y216 P220Q183-I218 HydrophobicContact CG-CG2 4.43Å; Q183-I218 PolarHBondContact NE2-O 3.46Å; Q183-I218 VanDerWaalsContact OE1-CB 3.3Å; Y216-I218 VanDerWaalsContact C-N 3.26Å; Y216-I218 PolarHBondContact O-N 3.17Å; I218-P220 WeakPolarHBondContact O-CD 3.32Å
219L41.4Very low40.9Very low76 Ų76129.9 Ų129.940%0.39866%0.662SS.*  trans-104.480.6171.8-131.795.8000110.3L221 F437L219-L221 PolarHBondContact O-N 3.36Å; L219-F437 HydrophobicContact CD2-CZ 4.31Å
220P40.8Very low41.2Very low82 Ų82129.4 Ų129.453%0.53267%0.668SS.*  trans-74.199.6172.628.6-30.9000109.6I218 T222I218-P220 WeakPolarHBondContact O-CD 3.32Å; P220-T222 PolarHBondContact O-N 3.25Å; P220-T222 VanDerWaalsContact O-N 3.09Å
221L36.7Very low41.5Very low122 Ų122125.8 Ų125.864%0.63966%0.66SS**  trans-66.491.8163.2-77156.9000108.9L219L219-L221 PolarHBondContact O-N 3.36Å
222T39.9Very low41.9Very low88 Ų88121.9 Ų121.954%0.5466%0.655SS.*  trans-136.6103162.260.20000108.5K186 P220 T224K186-T222 PolarHBondContact NZ-OG1 2.75Å; P220-T222 PolarHBondContact O-N 3.25Å; P220-T222 VanDerWaalsContact O-N 3.09Å; T222-T224 PolarHBondContact O-N 3.45Å
223I38.5Very low42.2Very low145 Ų145125.5 Ų125.574%0.74466%0.657SS**  trans-70117.5171.8-67.8161.5000107.4
224T42.9Very low42.5Very low125 Ų125122.4 Ų122.477%0.76764%0.644SS**  trans-11698.1161.855.80000108T222 R226T222-T224 PolarHBondContact O-N 3.45Å; T224-R226 VanDerWaalsContact C-N 3.31Å; T224-R226 PolarHBondContact O-N 3.35Å
225N36.8Very low43.1Very low160 Ų160124.9 Ų124.986%0.85666%0.66SS**  trans-69.985.4166-86.1-18000108.9
226R44.7Very low43.8Very low228 Ų228119.5 Ų119.586%0.8665%0.648SS**  trans-145.199.9166.5-135.1175.2-176.7-179.90.6111.4T224T224-R226 VanDerWaalsContact C-N 3.31Å; T224-R226 PolarHBondContact O-N 3.35Å
227S38Very low44.2Very low101 Ų101119.5 Ų119.571%0.70666%0.656SS**  trans24.1120.3147.754.10000119.2
228R45Very low44.9Very low235 Ų235119.8 Ų119.889%0.88764%0.644SS**  trans-173.9107130.4-103.4167.6-156.1148.33.2109.8
229I44.9Very low45.8Very low154 Ų154116.7 Ų116.779%0.7963%0.632SS**  trans32.8106.7150-52.3156.6000115.4G231I229-G231 VanDerWaalsContact C-N 3.26Å; I229-G231 PolarHBondContact O-N 3.24Å
230P41.7Very low47Very low139 Ų139115.3 Ų115.390%0.90362%0.624SS**  trans-79.97417533.6-30.7000110.2
231G44.7Very low48.9Very low47 Ų47112.8 Ų112.849%0.48561%0.609SS.*  trans-93.5134.315800000108.5I229 R233I229-G231 VanDerWaalsContact C-N 3.26Å; I229-G231 PolarHBondContact O-N 3.24Å; G231-R233 PolarHBondContact O-N 3.13Å; G231-R233 VanDerWaalsContact O-N 3.16Å
232P44Very low51.2Low118 Ų118108 Ų10877%0.76658%0.582SS**  trans-62.8123.9173.829.4-31.7000106.8P234P232-P234 WeakPolarHBondContact O-CD 3.48Å
233R43.8Very low53.5Low228 Ų228103.9 Ų103.986%0.8656%0.557SS**  trans-9181.3154.1-65.3-174-170.8174.50.7105.9G231G231-R233 PolarHBondContact O-N 3.13Å; G231-R233 VanDerWaalsContact O-N 3.16Å
234P45.7Very low55.9Low55 Ų5597.5 Ų97.536%0.35752%0.524SS..  trans-68165.716536-33.7000106.8P232 I249P232-P234 WeakPolarHBondContact O-CD 3.48Å; P234-I249 HydrophobicContact CB-CD1 4.05Å; P234-I249 HydrophobicContact CG-CD1 4.33Å
235C52.8Low58.1Low102 Ų10292.1 Ų92.169%0.68949%0.494SS*.  trans89.618.2170.3-41.20000118.3
236S56.9Low60.7Low52 Ų5285.4 Ų85.436%0.36446%0.458SS..  trans-107.8128.2149.199.70000109.4Q238 S239S236-Q238 PolarHBondContact O-N 3.39Å; S236-S239 WeakPolarHBondContact O-CB 3.39Å; S236-S239 PolarHBondContact O-N 3.12Å
237P58.7Low63Low69 Ų6974.6 Ų74.645%0.44842%0.417SS..THydrogen-bonded Turntrans-65.33.1178.926.5-33.9000113.3Y242P237-Y242 HydrophobicContact CB-CE2 4.43Å
238Q58.7Low65.6Low86 Ų8671.3 Ų71.340%0.40239%0.392SS..THydrogen-bonded Turntrans-105.7-4.1179.7-60.2170.6-11.400112.3Y181 S236Y181-Q238 HydrophobicContact CD1-CB 4.27Å; Y181-Q238 HydrophobicContact CE1-CB 3.85Å; Y181-Q238 HydrophobicContact CE1-CG 4.2Å; Y181-Q238 VanDerWaalsContact CE1-OE1 3.31Å; Y181-Q238 VanDerWaalsContact CZ-CD 3.48Å; Y181-Q238 VanDerWaalsContact OH-CD 3.23Å; Y181-Q238 PolarHBondContact OH-NE2 3.48Å; Y181-Q238 PolarHBondContact OH-OE1 3.04Å; S236-Q238 PolarHBondContact O-N 3.39Å
239S64.9Low68Low39 Ų3963.8 Ų63.827%0.27337%0.368SS..SBendtrans-72.4145.8179.8-173.10000111.8S236 S241 Y242S236-S239 WeakPolarHBondContact O-CB 3.39Å; S236-S239 PolarHBondContact O-N 3.12Å; S239-S241 PolarHBondContact O-N 2.99Å; S239-Y242 PolarHBondContact O-N 2.95Å
240N67.9Low70.3Confident46 Ų4656.7 Ų56.725%0.24633%0.332CS..THydrogen-bonded Turntrans-67.90.1175.6-72.1-8.3000114.8R178 D446R178-N240 WeakPolarHBondContact CD-OD1 3.5Å; R178-N240 VanDerWaalsContact CG-OD1 3.25Å; R178-N240 WeakPolarHBondContact CG-OD1 3.02Å; R178-N240 PolarHBondContact NE-OD1 2.79Å; R178-N240 VanDerWaalsContact NH2-CB 3.34Å; R178-N240 PolarHBondContact NH2-ND2 2.86Å; R178-N240 VanDerWaalsContact NH2-ND2 3.17Å; N240-D446 VanDerWaalsContact C-OD2 3.3Å; N240-D446 PolarHBondContact O-N 3.37Å
241S80.2Confident72.8Confident29 Ų2950.2 Ų50.220%0.20329%0.29CS..THydrogen-bonded Turntrans-138.218.7-167.6-53.50000110.2S239 G245 Q445 D446S239-S241 PolarHBondContact O-N 2.99Å; S241-G245 WeakPolarHBondContact O-CA 3.25Å; S241-G245 PolarHBondContact O-N 3.09Å; S241-Q445 VanDerWaalsContact OG-CD 3.25Å; S241-Q445 PolarHBondContact OG-OE1 2.86Å; S241-D446 WeakPolarHBondContact CA-OD1 3.37Å; S241-D446 PolarHBondContact N-OD2 3.01Å
242Y85.2Confident75.2Confident22 Ų2250 Ų509%0.08628%0.283CS..Hα-helixtrans-67.5-51.2-174.4172.8-93.6000110.3F132 Q135 P237 S239 G245 L246 D446F132-Y242 PolarHBondContact O-OH 2.84Å; Q135-Y242 PolarHBondContact OE1-OH 3.3Å; P237-Y242 HydrophobicContact CB-CE2 4.43Å; S239-Y242 PolarHBondContact O-N 2.95Å; Y242-G245 PolarHBondContact O-N 2.99Å; Y242-L246 HydrophobicContact CE1-CD2 4.16Å; Y242-L246 VanDerWaalsContact O-CB 3.24Å; Y242-L246 WeakPolarHBondContact O-CB 3.48Å; Y242-L246 PolarHBondContact O-N 3.43Å; Y242-D446 PolarHBondContact N-OD1 3.37Å; Y242-D446 PolarHBondContact N-OD2 2.95Å
243L87.9Confident77.7Confident1 Ų147 Ų471%0.00526%0.26CS..Hα-helixtrans-65.4-46.2-176.3-17372.9000110.5W129 L140 L246 Y247 D446 F449 V450W129-L243 HydrophobicContact CH2-CD1 3.95Å; W129-L243 HydrophobicContact CH2-CG 4.42Å; W129-L243 HydrophobicContact CZ3-CD1 4.43Å; L140-L243 HydrophobicContact CD1-CD2 4.34Å; L243-L246 PolarHBondContact O-N 3.22Å; L243-Y247 WeakPolarHBondContact O-CB 3.14Å; L243-Y247 PolarHBondContact O-N 3.5Å; L243-D446 HydrophobicContact CB-CB 4.27Å; L243-D446 PolarHBondContact N-OD1 3.38Å; L243-D446 VanDerWaalsContact N-OD1 3.08Å; L243-D446 PolarHBondContact N-OD2 2.99Å; L243-F449 HydrophobicContact CB-CD1 4.48Å; L243-F449 HydrophobicContact CD2-CD1 3.52Å; L243-F449 HydrophobicContact CD2-CE1 3.69Å; L243-F449 HydrophobicContact CG-CD1 3.77Å; L243-F449 HydrophobicContact CG-CE1 3.7Å; L243-V450 HydrophobicContact CD2-CG2 3.57Å
244N89.5Confident80.2Confident11 Ų1136.3 Ų36.36%0.05922%0.22CC..Hα-helixtrans-63.9-41.1176.4170.373.8000112.4Y247 L248 S357 D446 F449N244-Y247 PolarHBondContact O-N 3.43Å; N244-L248 WeakPolarHBondContact O-CG 3.45Å; N244-L248 PolarHBondContact O-N 3.45Å; N244-L248 VanDerWaalsContact O-N 3.08Å; N244-S357 PolarHBondContact ND2-OG 3.03Å; N244-S357 WeakPolarHBondContact OD1-CB 3.43Å; N244-S357 PolarHBondContact OD1-OG 3.46Å; N244-D446 PolarHBondContact N-OD1 3.49Å; N244-F449 HydrophobicContact CB-CB 3.99Å; N244-F449 HydrophobicContact CB-CD2 4.38Å; N244-F449 HydrophobicContact CB-CG 4.14Å
245G89.3Confident82.6Confident13 Ų1335 Ų3513%0.13421%0.211CC..Hα-helixtrans-67.2-42.7176.700000112.8S241 Y242 Y247 L248 I249S241-G245 WeakPolarHBondContact O-CA 3.25Å; S241-G245 PolarHBondContact O-N 3.09Å; Y242-G245 PolarHBondContact O-N 2.99Å; G245-Y247 VanDerWaalsContact C-N 3.31Å; G245-Y247 PolarHBondContact O-N 3.42Å; G245-L248 PolarHBondContact O-N 3.16Å; G245-I249 WeakPolarHBondContact O-CG1 3.47Å; G245-I249 PolarHBondContact O-N 3.2Å
246L90.8Very high84.7Confident18 Ų1838 Ų389%0.09421%0.212CC..Hα-helixtrans-57.8-46.6173.6179.166.1000110.1W129 F132 Y242 L243 L248 I249 I250W129-L246 HydrophobicContact CE3-CD2 3.92Å; W129-L246 HydrophobicContact CE3-CG 3.98Å; W129-L246 HydrophobicContact CZ3-CB 4.37Å; W129-L246 HydrophobicContact CZ3-CD2 3.93Å; W129-L246 HydrophobicContact CZ3-CG 3.97Å; F132-L246 HydrophobicContact CB-CD1 3.85Å; F132-L246 HydrophobicContact CB-CD2 3.72Å; F132-L246 HydrophobicContact CB-CG 4.45Å; Y242-L246 HydrophobicContact CE1-CD2 4.16Å; Y242-L246 VanDerWaalsContact O-CB 3.24Å; Y242-L246 WeakPolarHBondContact O-CB 3.48Å; Y242-L246 PolarHBondContact O-N 3.43Å; L243-L246 PolarHBondContact O-N 3.22Å; L246-L248 PolarHBondContact O-N 2.85Å; L246-I249 WeakPolarHBondContact O-CB 3.42Å; L246-I249 PolarHBondContact O-N 3.35Å; L246-I249 VanDerWaalsContact O-N 3.11Å; L246-I250 WeakPolarHBondContact O-CG1 3.15Å; L246-I250 PolarHBondContact O-N 3.04Å
247Y92.4Very high86.6Confident1 Ų136.4 Ų36.40%0.00420%0.2CC..Hα-helixtrans-61.5-41.8178.9-168.1-107.7000112.9D27 D30 W129 L243 N244 G245 I249 I250 K251 W353 F449D27-Y247 PolarHBondContact OD1-OH 2.71Å; D27-Y247 PolarHBondContact OD2-OH 2.62Å; D30-Y247 PolarHBondContact OD2-OH 2.99Å; W129-Y247 HydrophobicContact CE3-CD2 4.21Å; W129-Y247 AromaticContact CH2-CD2 3.53Å; W129-Y247 HydrophobicContact CH2-CD2 3.53Å; W129-Y247 HydrophobicContact CH2-CE2 4.43Å; W129-Y247 HydrophobicContact CH2-CG 4.19Å; W129-Y247 AromaticContact CZ2-CD2 3.88Å; W129-Y247 HydrophobicContact CZ2-CD2 3.88Å; W129-Y247 HydrophobicContact CZ2-CE2 4.38Å; W129-Y247 AromaticContact CZ3-CD2 3.71Å; W129-Y247 HydrophobicContact CZ3-CD2 3.71Å; W129-Y247 HydrophobicContact CZ3-CG 4.26Å; L243-Y247 WeakPolarHBondContact O-CB 3.14Å; L243-Y247 PolarHBondContact O-N 3.5Å; N244-Y247 PolarHBondContact O-N 3.43Å; G245-Y247 VanDerWaalsContact C-N 3.31Å; G245-Y247 PolarHBondContact O-N 3.42Å; Y247-I249 VanDerWaalsContact C-N 3.3Å; Y247-I249 PolarHBondContact O-N 3.11Å; Y247-I250 PolarHBondContact O-N 3.42Å; Y247-K251 HydrophobicContact CD1-CG 4.2Å; Y247-K251 HydrophobicContact CE1-CD 4.34Å; Y247-K251 HydrophobicContact CE1-CG 4.08Å; Y247-K251 WeakPolarHBondContact O-CG 3.23Å; Y247-K251 PolarHBondContact O-N 3.3Å; Y247-K251 WeakPolarHBondContact OH-CE 3.43Å; Y247-K251 PolarHBondContact OH-NZ 3.23Å; Y247-W353 HydrophobicContact CD1-CD2 4.25Å; Y247-W353 HydrophobicContact CD1-CE3 4.23Å; Y247-W353 AromaticContact CE1-CD2 3.65Å; Y247-W353 HydrophobicContact CE1-CD2 3.65Å; Y247-W353 AromaticContact CE1-CE2 3.58Å; Y247-W353 AromaticContact CE1-CE3 3.97Å; Y247-W353 HydrophobicContact CE1-CE3 3.97Å; Y247-W353 HydrophobicContact CE1-CG 4.07Å; Y247-W353 HydrophobicContact CE1-CH2 4.11Å; Y247-W353 AromaticContact CE1-CZ2 3.81Å; Y247-W353 HydrophobicContact CE1-CZ2 3.81Å; Y247-W353 HydrophobicContact CE1-CZ3 4.2Å; Y247-W353 AromaticContact CE1-NE1 3.95Å; Y247-F449 HydrophobicContact CD1-CD2 4.46Å; Y247-F449 AromaticContact CD1-CE2 3.36Å; Y247-F449 HydrophobicContact CD1-CE2 3.36Å; Y247-F449 AromaticContact CD1-CZ 3.8Å; Y247-F449 HydrophobicContact CD1-CZ 3.8Å; Y247-F449 HydrophobicContact CD2-CE2 4.2Å; Y247-F449 AromaticContact CD2-CZ 3.74Å; Y247-F449 HydrophobicContact CD2-CZ 3.74Å; Y247-F449 AromaticContact CE1-CE2 3.83Å; Y247-F449 HydrophobicContact CE1-CE2 3.83Å; Y247-F449 HydrophobicContact CE1-CZ 4.26Å; Y247-F449 HydrophobicContact CE2-CZ 4.22Å; Y247-F449 AromaticContact CG-CE2 3.52Å; Y247-F449 HydrophobicContact CG-CE2 3.52Å; Y247-F449 AromaticContact CG-CZ 3.46Å; Y247-F449 HydrophobicContact CG-CZ 3.46Å; Y247-F449 VanDerWaalsContact CG-CZ 3.46Å
248L93.5Very high88.3Confident33 Ų3333.1 Ų33.117%0.17318%0.179CC..Hα-helixtrans-62.3-36.9174-71.3176.8000112.5N244 G245 L246 K251 A252 W353N244-L248 WeakPolarHBondContact O-CG 3.45Å; N244-L248 PolarHBondContact O-N 3.45Å; N244-L248 VanDerWaalsContact O-N 3.08Å; G245-L248 PolarHBondContact O-N 3.16Å; L246-L248 PolarHBondContact O-N 2.85Å; L248-K251 PolarHBondContact O-N 2.92Å; L248-A252 WeakPolarHBondContact O-CB 3.23Å; L248-A252 PolarHBondContact O-N 2.94Å; L248-W353 HydrophobicContact CD2-CB 4Å
249I93.9Very high90Very high77 Ų7732.4 Ų32.440%0.39518%0.18SC..Hα-helixtrans-64.5-43.1174-67.8165.3000110.5P234 G245 L246 Y247 A252 L253P234-I249 HydrophobicContact CB-CD1 4.05Å; P234-I249 HydrophobicContact CG-CD1 4.33Å; G245-I249 WeakPolarHBondContact O-CG1 3.47Å; G245-I249 PolarHBondContact O-N 3.2Å; L246-I249 WeakPolarHBondContact O-CB 3.42Å; L246-I249 PolarHBondContact O-N 3.35Å; L246-I249 VanDerWaalsContact O-N 3.11Å; Y247-I249 VanDerWaalsContact C-N 3.3Å; Y247-I249 PolarHBondContact O-N 3.11Å; I249-A252 PolarHBondContact O-N 3.42Å; I249-L253 WeakPolarHBondContact O-CB 3.35Å; I249-L253 PolarHBondContact O-N 2.92Å
250I93.8Very high91.4Very high4 Ų432 Ų322%0.02118%0.182CC..Hα-helixtrans-62.1-43.9176.2-63.2-54.5000111.3P125 I128 W129 L246 Y247 A252 L253 Y254P125-I250 HydrophobicContact CB-CG2 4.27Å; I128-I250 HydrophobicContact CB-CD1 3.97Å; I128-I250 HydrophobicContact CG2-CD1 3.57Å; W129-I250 HydrophobicContact CB-CD1 4.19Å; W129-I250 HydrophobicContact CB-CG1 4.02Å; W129-I250 HydrophobicContact CB-CG2 4.39Å; W129-I250 HydrophobicContact CE3-CG1 3.93Å; L246-I250 WeakPolarHBondContact O-CG1 3.15Å; L246-I250 PolarHBondContact O-N 3.04Å; Y247-I250 PolarHBondContact O-N 3.42Å; I250-A252 VanDerWaalsContact C-N 3.34Å; I250-A252 PolarHBondContact O-N 3.28Å; I250-L253 WeakPolarHBondContact O-CB 3.33Å; I250-L253 PolarHBondContact O-N 3.5Å; I250-L253 VanDerWaalsContact O-N 3.14Å; I250-Y254 HydrophobicContact CG2-CD2 3.93Å; I250-Y254 HydrophobicContact CG2-CE2 3.62Å; I250-Y254 WeakPolarHBondContact O-CD2 3.27Å; I250-Y254 PolarHBondContact O-N 3.32Å
251K94.9Very high92.7Very high4 Ų429.9 Ų29.92%0.01717%0.171CC..Hα-helixtrans-61.2-42175.2-68.2-69.4-173.8-179.80112.1D27 D30 Y247 L248 L253 Y254 V255 S349 F350D27-K251 IonicContact OD2-NZ 3.9Å; D27-K251 PolarHBondContact OD2-NZ 2.87Å; D30-K251 WeakPolarHBondContact OD1-CE 3.38Å; D30-K251 IonicContact OD1-NZ 2.9Å; D30-K251 PolarHBondContact OD1-NZ 3.45Å; D30-K251 WeakPolarHBondContact OD2-CE 3.38Å; D30-K251 IonicContact OD2-NZ 2.63Å; D30-K251 PolarHBondContact OD2-NZ 3.21Å; Y247-K251 HydrophobicContact CD1-CG 4.2Å; Y247-K251 HydrophobicContact CE1-CD 4.34Å; Y247-K251 HydrophobicContact CE1-CG 4.08Å; Y247-K251 WeakPolarHBondContact O-CG 3.23Å; Y247-K251 PolarHBondContact O-N 3.3Å; Y247-K251 WeakPolarHBondContact OH-CE 3.43Å; Y247-K251 PolarHBondContact OH-NZ 3.23Å; L248-K251 PolarHBondContact O-N 2.92Å; K251-L253 VanDerWaalsContact C-N 3.3Å; K251-L253 PolarHBondContact O-N 2.88Å; K251-Y254 PolarHBondContact O-N 3.1Å; K251-V255 PolarHBondContact O-N 2.65Å; K251-S349 PolarHBondContact NZ-OG 3.32Å; K251-F350 HydrophobicContact CB-CB 4.39Å; K251-F350 HydrophobicContact CB-CD2 3.8Å
252A95.5Very high93.3Very high41 Ų4129 Ų2934%0.33916%0.163SC..Hα-helixtrans-62.9-38.8174.200000111.7L248 I249 I250 V255 F256 F350L248-A252 WeakPolarHBondContact O-CB 3.23Å; L248-A252 PolarHBondContact O-N 2.94Å; I249-A252 PolarHBondContact O-N 3.42Å; I250-A252 VanDerWaalsContact C-N 3.34Å; I250-A252 PolarHBondContact O-N 3.28Å; A252-V255 PolarHBondContact O-N 3.32Å; A252-F256 PolarHBondContact O-N 3.26Å; A252-F350 HydrophobicContact CB-CD2 4.22Å; A252-F350 HydrophobicContact CB-CE2 3.77Å; A252-F350 HydrophobicContact CB-CZ 4.35Å
253L96Very high93.7Very high57 Ų5734.3 Ų34.330%0.29819%0.187SC..Hα-helixtrans-66.7-36.2177.2-170.565.7000112.2P125 I128 I249 I250 K251 F256 N257P125-L253 HydrophobicContact CB-CB 4.47Å; P125-L253 HydrophobicContact CB-CD2 3.89Å; P125-L253 HydrophobicContact CB-CG 4.23Å; P125-L253 HydrophobicContact CG-CD2 3.93Å; P125-L253 HydrophobicContact CG-CG 3.96Å; I128-L253 HydrophobicContact CD1-CD2 3.52Å; I249-L253 WeakPolarHBondContact O-CB 3.35Å; I249-L253 PolarHBondContact O-N 2.92Å; I250-L253 WeakPolarHBondContact O-CB 3.33Å; I250-L253 PolarHBondContact O-N 3.5Å; I250-L253 VanDerWaalsContact O-N 3.14Å; K251-L253 VanDerWaalsContact C-N 3.3Å; K251-L253 PolarHBondContact O-N 2.88Å; L253-F256 PolarHBondContact O-N 3.34Å; L253-N257 WeakPolarHBondContact O-CB 3.38Å; L253-N257 PolarHBondContact O-N 3.25Å
254Y95.8Very high93.9Very high3 Ų336.4 Ų36.41%0.01220%0.198CC..Hα-helixtrans-61.8-43.1171.3-80.6-61.1000112.3D30 N33 P125 I250 K251 N257 S258D30-Y254 HydrophobicContact CB-CE2 4.04Å; D30-Y254 WeakPolarHBondContact OD1-CE2 3.37Å; N33-Y254 HydrophobicContact CB-CD1 3.56Å; N33-Y254 HydrophobicContact CB-CE1 3.41Å; N33-Y254 VanDerWaalsContact CB-CE1 3.41Å; N33-Y254 HydrophobicContact CB-CG 4.5Å; P125-Y254 HydrophobicContact CB-CD1 3.9Å; P125-Y254 HydrophobicContact CB-CD2 4.2Å; P125-Y254 HydrophobicContact CB-CE1 3.65Å; P125-Y254 HydrophobicContact CB-CE2 3.99Å; P125-Y254 HydrophobicContact CB-CG 4.16Å; P125-Y254 HydrophobicContact CG-CD1 3.79Å; P125-Y254 HydrophobicContact CG-CE1 3.8Å; P125-Y254 HydrophobicContact CG-CG 4.33Å; I250-Y254 HydrophobicContact CG2-CD2 3.93Å; I250-Y254 HydrophobicContact CG2-CE2 3.62Å; I250-Y254 WeakPolarHBondContact O-CD2 3.27Å; I250-Y254 PolarHBondContact O-N 3.32Å; K251-Y254 PolarHBondContact O-N 3.1Å; Y254-N257 PolarHBondContact O-N 3.36Å; Y254-S258 PolarHBondContact O-N 3.48Å; Y254-S258 PolarHBondContact O-OG 2.97Å; Y254-S258 VanDerWaalsContact O-OG 3.08Å
255V96.6Very high94.1Very high28 Ų2835.9 Ų35.917%0.1720%0.195CC..Hα-helixtrans-62.1-49.7175.4174.40000110.8K251 A252 N257 S258 T259 N346 I347 F350K251-V255 PolarHBondContact O-N 2.65Å; A252-V255 PolarHBondContact O-N 3.32Å; V255-N257 VanDerWaalsContact C-N 3.31Å; V255-N257 PolarHBondContact O-N 2.72Å; V255-S258 PolarHBondContact O-N 2.74Å; V255-S258 PolarHBondContact O-OG 3.02Å; V255-S258 VanDerWaalsContact O-OG 3.11Å; V255-T259 PolarHBondContact O-N 3.22Å; V255-T259 PolarHBondContact O-OG1 3.06Å; V255-N346 HydrophobicContact CG2-CB 3.9Å; V255-I347 HydrophobicContact CG1-CG1 3.85Å; V255-I347 HydrophobicContact CG2-CG1 4.31Å; V255-F350 HydrophobicContact CG2-CB 3.89Å; V255-F350 HydrophobicContact CG2-CG 4.42Å
256F96.3Very high94.2Very high163 Ų16335.4 Ų35.472%0.71519%0.19SC*.Hα-helixtrans-62.3-40.9-179.7-161.6-85000111.5A252 L253 G260A252-F256 PolarHBondContact O-N 3.26Å; L253-F256 PolarHBondContact O-N 3.34Å; F256-G260 WeakPolarHBondContact O-CA 3.09Å; F256-G260 PolarHBondContact O-N 3.28Å
257N96.2Very high94.1Very high20 Ų2038.3 Ų38.311%0.10721%0.212CC..Hα-helixtrans-63.2-53.1175.6-177.744.2000110.9M121 F122 L253 Y254 V255 T259 G260 Q261M121-N257 PolarHBondContact O-ND2 3.38Å; F122-N257 WeakPolarHBondContact CA-ND2 3.25Å; F122-N257 WeakPolarHBondContact CD1-ND2 3.2Å; L253-N257 WeakPolarHBondContact O-CB 3.38Å; L253-N257 PolarHBondContact O-N 3.25Å; Y254-N257 PolarHBondContact O-N 3.36Å; V255-N257 VanDerWaalsContact C-N 3.31Å; V255-N257 PolarHBondContact O-N 2.72Å; N257-T259 PolarHBondContact O-N 2.76Å; N257-G260 CarbonylContact O-C 3.54Å; N257-G260 PolarHBondContact O-N 3.07Å; N257-G260 VanDerWaalsContact O-N 3.14Å; N257-Q261 VanDerWaalsContact O-CG 3.28Å; N257-Q261 WeakPolarHBondContact O-CG 3.5Å; N257-Q261 PolarHBondContact O-N 3.16Å; N257-Q261 PolarHBondContact OD1-NE2 3.3Å
258S95.1Very high94.1Very high0 Ų040.6 Ų40.60%022%0.222CC..Hα-helixtrans-61.3-40.7-177.657.10000113Y254 V255 Q261 L262 S343 N346Y254-S258 PolarHBondContact O-N 3.48Å; Y254-S258 PolarHBondContact O-OG 2.97Å; Y254-S258 VanDerWaalsContact O-OG 3.08Å; V255-S258 PolarHBondContact O-N 2.74Å; V255-S258 PolarHBondContact O-OG 3.02Å; V255-S258 VanDerWaalsContact O-OG 3.11Å; S258-Q261 PolarHBondContact O-N 2.62Å; S258-L262 PolarHBondContact O-N 2.8Å; S258-S343 WeakPolarHBondContact CB-OG 3.31Å; S258-S343 PolarHBondContact OG-OG 2.72Å; S258-N346 PolarHBondContact OG-ND2 2.62Å
259T94Very high93.8Very high70 Ų7039.9 Ų39.943%0.42922%0.218SC..Hα-helixtrans-69.6-38.7175-55.30000112V255 N257 Q261 L262 F263V255-T259 PolarHBondContact O-N 3.22Å; V255-T259 PolarHBondContact O-OG1 3.06Å; N257-T259 PolarHBondContact O-N 2.76Å; T259-Q261 VanDerWaalsContact C-N 3.34Å; T259-Q261 PolarHBondContact O-N 3.49Å; T259-L262 WeakPolarHBondContact O-CB 3.47Å; T259-L262 PolarHBondContact O-N 3.47Å; T259-F263 PolarHBondContact O-N 3.17Å; T259-F263 VanDerWaalsContact O-N 3.12Å
260G94.5Very high93.3Very high30 Ų3039.2 Ų39.231%0.30923%0.23SC..Hα-helixtrans-62.3-38.9174.200000112.7F256 N257 F263 L264F256-G260 WeakPolarHBondContact O-CA 3.09Å; F256-G260 PolarHBondContact O-N 3.28Å; N257-G260 CarbonylContact O-C 3.54Å; N257-G260 PolarHBondContact O-N 3.07Å; N257-G260 VanDerWaalsContact O-N 3.14Å; G260-F263 PolarHBondContact O-N 2.88Å; G260-L264 VanDerWaalsContact O-CB 3.29Å; G260-L264 WeakPolarHBondContact O-CB 3.2Å; G260-L264 PolarHBondContact O-N 3.35Å
261Q94.8Very high92.8Very high3 Ų341.1 Ų41.11%0.01424%0.239CC..Hα-helixtrans-64.6-39.1175.6-65.6-48.3-29.100112.5Q118 M121 F122 N257 S258 T259 L264 L265 L339Q118-Q261 VanDerWaalsContact CG-OE1 3.24Å; M121-Q261 PolarHBondContact SD-NE2 3.23Å; F122-Q261 HydrophobicContact CD2-CG 4.3Å; F122-Q261 HydrophobicContact CE2-CB 4.29Å; F122-Q261 HydrophobicContact CE2-CG 3.63Å; F122-Q261 HydrophobicContact CZ-CB 4.46Å; F122-Q261 HydrophobicContact CZ-CG 3.97Å; N257-Q261 VanDerWaalsContact O-CG 3.28Å; N257-Q261 WeakPolarHBondContact O-CG 3.5Å; N257-Q261 PolarHBondContact O-N 3.16Å; N257-Q261 PolarHBondContact OD1-NE2 3.3Å; S258-Q261 PolarHBondContact O-N 2.62Å; T259-Q261 VanDerWaalsContact C-N 3.34Å; T259-Q261 PolarHBondContact O-N 3.49Å; Q261-L264 PolarHBondContact O-N 2.83Å; Q261-L265 WeakPolarHBondContact O-CB 3.43Å; Q261-L265 PolarHBondContact O-N 2.66Å; Q261-L339 HydrophobicContact CB-CD1 4.46Å; Q261-L339 HydrophobicContact CB-CD2 4.32Å
262L93.1Very high92.1Very high9 Ų947.6 Ų47.65%0.04728%0.279CS..Hα-helixtrans-61.8-43.8173.6-77.4168.2000111.7S258 T259 L265 A266 L339 I340 S343S258-L262 PolarHBondContact O-N 2.8Å; T259-L262 WeakPolarHBondContact O-CB 3.47Å; T259-L262 PolarHBondContact O-N 3.47Å; L262-L265 PolarHBondContact O-N 3.14Å; L262-A266 PolarHBondContact O-N 3.21Å; L262-L339 HydrophobicContact CD2-CB 3.43Å; L262-L339 VanDerWaalsContact CD2-CB 3.43Å; L262-L339 HydrophobicContact CD2-CD1 4.25Å; L262-L339 HydrophobicContact CD2-CG 4.5Å; L262-L339 HydrophobicContact CG-CB 3.85Å; L262-I340 HydrophobicContact CD1-CD1 3.56Å; L262-I340 HydrophobicContact CD1-CG1 4.15Å; L262-I340 HydrophobicContact CD2-CD1 4.09Å; L262-I340 HydrophobicContact CD2-CG1 3.97Å; L262-I340 HydrophobicContact CG-CD1 4.49Å; L262-S343 WeakPolarHBondContact CD1-OG 3.33Å
263F93.1Very high91.7Very high135 Ų13549 Ų4959%0.59228%0.284SS*.Hα-helixtrans-66.5-43.5177.3-178-97.8000112.1T259 G260 L265 A266 S267T259-F263 PolarHBondContact O-N 3.17Å; T259-F263 VanDerWaalsContact O-N 3.12Å; G260-F263 PolarHBondContact O-N 2.88Å; F263-L265 VanDerWaalsContact C-N 3.29Å; F263-L265 PolarHBondContact O-N 3.31Å; F263-A266 PolarHBondContact O-N 2.86Å; F263-S267 WeakPolarHBondContact O-CB 3.39Å; F263-S267 PolarHBondContact O-N 3.34Å
264L93.3Very high91.2Very high44 Ų4450.2 Ų50.223%0.2329%0.289CS..Hα-helixtrans-59.7-41.7176.2-178.1163.6000110.8L114 Q118 G260 Q261 S267 F268L114-L264 HydrophobicContact CD1-CD2 3.53Å; L114-L264 HydrophobicContact CD2-CD2 4.14Å; L114-L264 HydrophobicContact CG-CD2 4.02Å; Q118-L264 HydrophobicContact CG-CD2 4.49Å; G260-L264 VanDerWaalsContact O-CB 3.29Å; G260-L264 WeakPolarHBondContact O-CB 3.2Å; G260-L264 PolarHBondContact O-N 3.35Å; Q261-L264 PolarHBondContact O-N 2.83Å; L264-S267 PolarHBondContact O-N 3.31Å; L264-F268 VanDerWaalsContact O-CB 3.24Å; L264-F268 WeakPolarHBondContact O-CB 3.25Å; L264-F268 PolarHBondContact O-N 3.5Å
265L92.4Very high90.8Very high0 Ų057 Ų570%032%0.319CS..Hα-helixtrans-64.6-45.4176.8-176.264.2000112.3Q261 L262 F263 F268 L269 F276 F332 L339Q261-L265 WeakPolarHBondContact O-CB 3.43Å; Q261-L265 PolarHBondContact O-N 2.66Å; L262-L265 PolarHBondContact O-N 3.14Å; F263-L265 VanDerWaalsContact C-N 3.29Å; F263-L265 PolarHBondContact O-N 3.31Å; L265-F268 PolarHBondContact O-N 3.4Å; L265-L269 HydrophobicContact CD1-CD1 4.34Å; L265-L269 HydrophobicContact CG-CD1 4.4Å; L265-L269 PolarHBondContact O-N 3.06Å; L265-F276 HydrophobicContact CD2-CZ 3.78Å; L265-F276 HydrophobicContact CG-CE1 4.42Å; L265-F276 HydrophobicContact CG-CZ 3.86Å; L265-F332 HydrophobicContact CD1-CD1 3.46Å; L265-F332 VanDerWaalsContact CD1-CD1 3.46Å; L265-F332 HydrophobicContact CD1-CE1 3.48Å; L265-F332 VanDerWaalsContact CD1-CE1 3.48Å; L265-F332 HydrophobicContact CD1-CG 4.48Å; L265-L339 HydrophobicContact CD2-CD1 4.19Å
266A91.7Very high90.4Very high4 Ų455.8 Ų55.83%0.03331%0.312CS..Hα-helixtrans-61.8-45.5176.900000111.7L262 F263 F268 L269 G270 Q271 F276L262-A266 PolarHBondContact O-N 3.21Å; F263-A266 PolarHBondContact O-N 2.86Å; A266-F268 PolarHBondContact O-N 2.98Å; A266-L269 PolarHBondContact O-N 3.01Å; A266-G270 PolarHBondContact O-N 2.96Å; A266-Q271 PolarHBondContact O-N 3.42Å; A266-Q271 VanDerWaalsContact O-N 3.08Å; A266-F276 HydrophobicContact CB-CD1 4.03Å; A266-F276 HydrophobicContact CB-CE1 3.93Å
267S90Very high90.1Very high78 Ų7848 Ų4855%0.54528%0.278SS..Hα-helixtrans-63.8-39.1177.7-176.40000112.4F263 L264 L269 G270F263-S267 WeakPolarHBondContact O-CB 3.39Å; F263-S267 PolarHBondContact O-N 3.34Å; L264-S267 PolarHBondContact O-N 3.31Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.21Å; S267-G270 PolarHBondContact O-N 3.12Å
268F90.7Very high89.9Confident50 Ų5048.9 Ų48.922%0.21929%0.285CS..Hα-helixtrans-67.3-34.3-179.5179.4-96.8000112.6Y107 W110 V111 L114 L264 L265 A266 G270 F332Y107-F268 HydrophobicContact CG-CE1 4.43Å; Y107-F268 WeakPolarHBondContact O-CZ 3.48Å; W110-F268 HydrophobicContact CB-CE2 3.94Å; W110-F268 HydrophobicContact CB-CZ 3.93Å; V111-F268 HydrophobicContact CG2-CE1 3.97Å; V111-F268 HydrophobicContact CG2-CZ 4.25Å; L114-F268 HydrophobicContact CB-CZ 4.49Å; L114-F268 HydrophobicContact CD1-CD2 3.91Å; L114-F268 HydrophobicContact CD1-CE2 4.22Å; L114-F268 HydrophobicContact CD1-CG 4.34Å; L114-F268 HydrophobicContact CD2-CB 4Å; L114-F268 HydrophobicContact CD2-CD1 3.46Å; L114-F268 VanDerWaalsContact CD2-CD1 3.46Å; L114-F268 HydrophobicContact CD2-CD2 3.77Å; L114-F268 HydrophobicContact CD2-CE1 3.74Å; L114-F268 HydrophobicContact CD2-CE2 4.04Å; L114-F268 HydrophobicContact CD2-CG 3.46Å; L114-F268 VanDerWaalsContact CD2-CG 3.46Å; L114-F268 HydrophobicContact CD2-CZ 4.01Å; L114-F268 HydrophobicContact CG-CD2 4.39Å; L114-F268 HydrophobicContact CG-CG 4.5Å; L264-F268 VanDerWaalsContact O-CB 3.24Å; L264-F268 WeakPolarHBondContact O-CB 3.25Å; L264-F268 PolarHBondContact O-N 3.5Å; L265-F268 PolarHBondContact O-N 3.4Å; A266-F268 PolarHBondContact O-N 2.98Å; F268-G270 PolarHBondContact O-N 3.19Å; F268-F332 HydrophobicContact CE1-CZ 4.46Å
269L87.3Confident89.6Confident18 Ų1853.6 Ų53.69%0.09431%0.307CS..THydrogen-bonded Turntrans-80.3-3.5176.2-70.3170.5000113.5L265 A266 S267 Q271 F276 F296 F332L265-L269 HydrophobicContact CD1-CD1 4.34Å; L265-L269 HydrophobicContact CG-CD1 4.4Å; L265-L269 PolarHBondContact O-N 3.06Å; A266-L269 PolarHBondContact O-N 3.01Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.21Å; L269-Q271 HydrophobicContact CB-CG 4Å; L269-Q271 PolarHBondContact O-N 3.15Å; L269-F276 HydrophobicContact CD1-CD2 4.25Å; L269-F276 HydrophobicContact CD1-CE2 3.61Å; L269-F276 HydrophobicContact CD1-CZ 3.81Å; L269-F296 HydrophobicContact CD1-CZ 4.07Å; L269-F296 HydrophobicContact CD2-CE1 3.87Å; L269-F296 HydrophobicContact CD2-CE2 4.32Å; L269-F296 HydrophobicContact CD2-CZ 3.39Å; L269-F296 HydrophobicContact CG-CZ 4.33Å; L269-F332 HydrophobicContact CD1-CB 4.41Å; L269-F332 HydrophobicContact CD1-CG 4.3Å; L269-F332 HydrophobicContact CD2-CD2 4.04Å; L269-F332 HydrophobicContact CD2-CE2 3.96Å; L269-F332 HydrophobicContact CD2-CZ 4.46Å
270G83.7Confident89.3Confident62 Ų6250.9 Ų50.964%0.63929%0.289SS*.THydrogen-bonded Turntrans70.217.6-175.800000113.7A266 S267 F268A266-G270 PolarHBondContact O-N 2.96Å; S267-G270 PolarHBondContact O-N 3.12Å; F268-G270 PolarHBondContact O-N 3.19Å
271Q84Confident89.1Confident44 Ų4452.1 Ų52.121%0.20629%0.288CS..  trans-84.3135.8178.9-63.7-64.1-3300110.1A266 L269 F276 N295A266-Q271 PolarHBondContact O-N 3.42Å; A266-Q271 VanDerWaalsContact O-N 3.08Å; L269-Q271 HydrophobicContact CB-CG 4Å; L269-Q271 PolarHBondContact O-N 3.15Å; Q271-F276 HydrophobicContact CB-CB 4.01Å; Q271-F276 HydrophobicContact CB-CD1 4.45Å; Q271-F276 HydrophobicContact CB-CG 4.34Å; Q271-F276 HydrophobicContact CG-CB 3.89Å; Q271-F276 HydrophobicContact CG-CG 4.16Å; Q271-N295 PolarHBondContact NE2-OD1 2.83Å
272T79.9Confident88.9Confident141 Ų14156.8 Ų56.887%0.86531%0.312SS*.SBendtrans-80.4-18-179.153.70000113.2
273T86.2Confident88.6Confident71 Ų7157.8 Ų57.844%0.43632%0.318SS..  trans-117.3143.7-176.1670000111.5F275T273-F275 PolarHBondContact O-N 3.45Å
274I85.7Confident88.4Confident81 Ų8154.7 Ų54.742%0.41531%0.307SS..THydrogen-bonded Turntrans-68.4-23.3174-60.5169.5000110.5F276 W336I274-F276 PolarHBondContact O-N 3.28Å; I274-W336 PolarHBondContact O-NE1 3.08Å
275F88.4Confident88.2Confident146 Ų14658.9 Ų58.964%0.6433%0.328SS*.THydrogen-bonded Turntrans-86.528.3-179-60-75.6000113.9T273 G277 P278 W336T273-F275 PolarHBondContact O-N 3.45Å; F275-G277 VanDerWaalsContact C-N 3.28Å; F275-G277 PolarHBondContact O-N 3.13Å; F275-P278 WeakPolarHBondContact O-CD 3.41Å; F275-W336 HydrophobicContact CD1-CZ2 4.27Å
276F88.2Confident88.2Confident3 Ų362.4 Ų62.41%0.01336%0.357CS..Hα-helixtrans-65.4-31.4176.975.1-93.4000112.5L265 A266 L269 Q271 I274 Q279 M280 W336L265-F276 HydrophobicContact CD2-CZ 3.78Å; L265-F276 HydrophobicContact CG-CE1 4.42Å; L265-F276 HydrophobicContact CG-CZ 3.86Å; A266-F276 HydrophobicContact CB-CD1 4.03Å; A266-F276 HydrophobicContact CB-CE1 3.93Å; L269-F276 HydrophobicContact CD1-CD2 4.25Å; L269-F276 HydrophobicContact CD1-CE2 3.61Å; L269-F276 HydrophobicContact CD1-CZ 3.81Å; Q271-F276 HydrophobicContact CB-CB 4.01Å; Q271-F276 HydrophobicContact CB-CD1 4.45Å; Q271-F276 HydrophobicContact CB-CG 4.34Å; Q271-F276 HydrophobicContact CG-CB 3.89Å; Q271-F276 HydrophobicContact CG-CG 4.16Å; I274-F276 PolarHBondContact O-N 3.28Å; F276-Q279 PolarHBondContact O-N 3.01Å; F276-M280 HydrophobicContact CD2-SD 3.89Å; F276-M280 HydrophobicContact CE2-SD 4.43Å; F276-M280 WeakPolarHBondContact O-CB 3.1Å; F276-M280 VanDerWaalsContact O-CG 3.25Å; F276-M280 WeakPolarHBondContact O-CG 3.22Å; F276-M280 PolarHBondContact O-N 2.86Å; F276-W336 AromaticContact CE1-CD1 3.44Å; F276-W336 VanDerWaalsContact CE1-CD1 3.44Å; F276-W336 AromaticContact CE1-NE1 3.95Å; F276-W336 HydrophobicContact CE2-CB 4.49Å; F276-W336 HydrophobicContact CE2-CG 4.5Å; F276-W336 HydrophobicContact CZ-CB 4.33Å; F276-W336 AromaticContact CZ-CD1 3.44Å; F276-W336 VanDerWaalsContact CZ-CD1 3.44Å; F276-W336 HydrophobicContact CZ-CG 4.21Å
277G89.7Confident88Confident0 Ų064.3 Ų64.30%038%0.377CS..Hα-helixtrans-60.2-52.5-177.600000114.1F275 Q279 M280 L281F275-G277 VanDerWaalsContact C-N 3.28Å; F275-G277 PolarHBondContact O-N 3.13Å; G277-Q279 PolarHBondContact O-N 2.96Å; G277-M280 PolarHBondContact O-N 3.39Å; G277-L281 WeakPolarHBondContact O-CB 3.36Å; G277-L281 PolarHBondContact O-N 2.85Å
278P90.8Very high87.8Confident38 Ų3863 Ų6325%0.24737%0.366CS..Hα-helixtrans-62.3-40.9175.4-26.335.7000112.4F275 M280 L281 I282 W336F275-P278 WeakPolarHBondContact O-CD 3.41Å; P278-M280 PolarHBondContact O-N 2.85Å; P278-L281 PolarHBondContact O-N 2.74Å; P278-I282 WeakPolarHBondContact O-CB 3.12Å; P278-I282 VanDerWaalsContact O-CG1 3.24Å; P278-I282 WeakPolarHBondContact O-CG1 3.43Å; P278-I282 PolarHBondContact O-N 3.5Å; P278-W336 VanDerWaalsContact CD-CZ3 3.46Å; P278-W336 HydrophobicContact CG-CE3 4.3Å; P278-W336 HydrophobicContact CG-CH2 3.26Å; P278-W336 HydrophobicContact CG-CZ2 3.85Å; P278-W336 HydrophobicContact CG-CZ3 3.52Å
279Q89.5Confident87.5Confident99 Ų9964.9 Ų64.946%0.46338%0.376SS..Hα-helixtrans-58.4-50.2176.8-179.358.738.200110.7F276 G277 L281 I282 D283F276-Q279 PolarHBondContact O-N 3.01Å; G277-Q279 PolarHBondContact O-N 2.96Å; Q279-L281 VanDerWaalsContact C-N 3.31Å; Q279-L281 PolarHBondContact O-N 3.21Å; Q279-I282 PolarHBondContact O-N 3.29Å; Q279-D283 PolarHBondContact NE2-OD1 3.48Å; Q279-D283 VanDerWaalsContact NE2-OD1 3.11Å; Q279-D283 PolarHBondContact NE2-OD2 3.14Å; Q279-D283 VanDerWaalsContact NE2-OD2 3.1Å; Q279-D283 WeakPolarHBondContact O-CB 3.44Å; Q279-D283 PolarHBondContact O-N 2.9Å
280M87.8Confident87.3Confident12 Ų1266.5 Ų66.56%0.05938%0.381CS..Hα-helixtrans-61.5-36.9176.4-75.1-16873.700113.5F276 G277 P278 L284 F296 E329 I333F276-M280 HydrophobicContact CD2-SD 3.89Å; F276-M280 HydrophobicContact CE2-SD 4.43Å; F276-M280 WeakPolarHBondContact O-CB 3.1Å; F276-M280 VanDerWaalsContact O-CG 3.25Å; F276-M280 WeakPolarHBondContact O-CG 3.22Å; F276-M280 PolarHBondContact O-N 2.86Å; G277-M280 PolarHBondContact O-N 3.39Å; P278-M280 PolarHBondContact O-N 2.85Å; M280-L284 VanDerWaalsContact O-CB 3.31Å; M280-L284 WeakPolarHBondContact O-CB 3.47Å; M280-L284 PolarHBondContact O-N 2.81Å; M280-F296 HydrophobicContact CE-CD2 3.12Å; M280-F296 HydrophobicContact CE-CE2 3.06Å; M280-F296 HydrophobicContact CE-CG 4.11Å; M280-F296 HydrophobicContact CE-CZ 4Å; M280-F296 HydrophobicContact SD-CD2 4.07Å; M280-F296 HydrophobicContact SD-CE2 3.45Å; M280-F296 WeakPolarHBondContact SD-CE2 3.41Å; M280-F296 HydrophobicContact SD-CZ 4.3Å; M280-E329 HydrophobicContact CE-CG 3.89Å; M280-I333 HydrophobicContact CB-CD1 4.18Å; M280-I333 HydrophobicContact CB-CG1 4.06Å; M280-I333 HydrophobicContact CE-CD1 4.41Å; M280-I333 HydrophobicContact CE-CG1 4.38Å
281L90.5Very high87.2Confident56 Ų5667.2 Ų67.229%0.29336%0.364SS..Hα-helixtrans-68.8-42.1176.7-178.764.9000111.5G277 P278 Q279 L284 I285 I333 F337G277-L281 WeakPolarHBondContact O-CB 3.36Å; G277-L281 PolarHBondContact O-N 2.85Å; P278-L281 PolarHBondContact O-N 2.74Å; Q279-L281 VanDerWaalsContact C-N 3.31Å; Q279-L281 PolarHBondContact O-N 3.21Å; L281-L284 PolarHBondContact O-N 2.91Å; L281-I285 HydrophobicContact CD1-CD1 4.08Å; L281-I285 HydrophobicContact CD1-CG1 4.38Å; L281-I285 HydrophobicContact CD2-CD1 4.39Å; L281-I285 HydrophobicContact CG-CD1 3.84Å; L281-I285 HydrophobicContact CG-CG1 4.5Å; L281-I285 VanDerWaalsContact O-CG1 3.28Å; L281-I285 WeakPolarHBondContact O-CG1 3.26Å; L281-I285 PolarHBondContact O-N 2.95Å; L281-I333 HydrophobicContact CB-CG2 4.46Å; L281-I333 HydrophobicContact CD1-CG2 4.33Å; L281-F337 HydrophobicContact CB-CE2 4.32Å; L281-F337 HydrophobicContact CB-CZ 4.35Å; L281-F337 HydrophobicContact CD2-CE2 3.7Å; L281-F337 HydrophobicContact CD2-CZ 3.48Å; L281-F337 VanDerWaalsContact CD2-CZ 3.48Å; L281-F337 HydrophobicContact CG-CE2 4.5Å
282I90.3Very high87.1Confident102 Ų10271 Ų7152%0.52338%0.382SS..Hα-helixtrans-63.5-46.4177.1-69.8164.1000110P278 Q279 L284 I285 A286P278-I282 WeakPolarHBondContact O-CB 3.12Å; P278-I282 VanDerWaalsContact O-CG1 3.24Å; P278-I282 WeakPolarHBondContact O-CG1 3.43Å; P278-I282 PolarHBondContact O-N 3.5Å; Q279-I282 PolarHBondContact O-N 3.29Å; I282-L284 VanDerWaalsContact C-N 3.26Å; I282-L284 PolarHBondContact O-N 3.26Å; I282-I285 PolarHBondContact O-N 3.44Å; I282-I285 VanDerWaalsContact O-N 3.16Å; I282-A286 VanDerWaalsContact O-CB 3.28Å; I282-A286 WeakPolarHBondContact O-CB 3.37Å; I282-A286 PolarHBondContact O-N 2.68Å
283D87.9Confident87.2Confident30 Ų3066.3 Ų66.316%0.1636%0.355CS..Hα-helixtrans-56.1-43.6175.7-73.9-23.6000111Q279 G287 T288Q279-D283 PolarHBondContact NE2-OD1 3.48Å; Q279-D283 VanDerWaalsContact NE2-OD1 3.11Å; Q279-D283 PolarHBondContact NE2-OD2 3.14Å; Q279-D283 VanDerWaalsContact NE2-OD2 3.1Å; Q279-D283 WeakPolarHBondContact O-CB 3.44Å; Q279-D283 PolarHBondContact O-N 2.9Å; D283-G287 PolarHBondContact O-N 2.87Å; D283-T288 VanDerWaalsContact CA-OG1 3.26Å; D283-T288 WeakPolarHBondContact CA-OG1 3.47Å; D283-T288 WeakPolarHBondContact CB-OG1 3.38Å; D283-T288 PolarHBondContact O-N 3Å; D283-T288 PolarHBondContact O-OG1 3.01Å
284L87.6Confident86.9Confident69 Ų6964.5 Ų64.536%0.36135%0.351SS..Hα-helixtrans-65.7-41.4176.6179.463.2000113.5M280 L281 I282 G287 K330 I333M280-L284 VanDerWaalsContact O-CB 3.31Å; M280-L284 WeakPolarHBondContact O-CB 3.47Å; M280-L284 PolarHBondContact O-N 2.81Å; L281-L284 PolarHBondContact O-N 2.91Å; I282-L284 VanDerWaalsContact C-N 3.26Å; I282-L284 PolarHBondContact O-N 3.26Å; L284-G287 PolarHBondContact O-N 3.28Å; L284-K330 HydrophobicContact CD2-CD 4.33Å; L284-I333 HydrophobicContact CD2-CD1 4.25Å
285I90.6Very high86.6Confident133 Ų13362.6 Ų62.668%0.68234%0.342SS*.Hα-helixtrans-71.2-38179.5-69.1166.9000110.9L281 I282 G287L281-I285 HydrophobicContact CD1-CD1 4.08Å; L281-I285 HydrophobicContact CD1-CG1 4.38Å; L281-I285 HydrophobicContact CD2-CD1 4.39Å; L281-I285 HydrophobicContact CG-CD1 3.84Å; L281-I285 HydrophobicContact CG-CG1 4.5Å; L281-I285 VanDerWaalsContact O-CG1 3.28Å; L281-I285 WeakPolarHBondContact O-CG1 3.26Å; L281-I285 PolarHBondContact O-N 2.95Å; I282-I285 PolarHBondContact O-N 3.44Å; I282-I285 VanDerWaalsContact O-N 3.16Å; I285-G287 PolarHBondContact O-N 2.93Å
286A91.4Very high86.5Confident74 Ų7456 Ų5661%0.61231%0.312SS*.Hα-helixtrans-68.8-12.4175.100000112.6I282 T288I282-A286 VanDerWaalsContact O-CB 3.28Å; I282-A286 WeakPolarHBondContact O-CB 3.37Å; I282-A286 PolarHBondContact O-N 2.68Å; A286-T288 VanDerWaalsContact C-N 3.25Å; A286-T288 HydrophobicContact CB-CG2 4.04Å; A286-T288 PolarHBondContact O-N 3.39Å
287G87.5Confident86.5Confident44 Ų4456 Ų5645%0.45431%0.312SS..THydrogen-bonded Turntrans70.922.5-176.700000112.8D283 L284 I285 Q289D283-G287 PolarHBondContact O-N 2.87Å; L284-G287 PolarHBondContact O-N 3.28Å; I285-G287 PolarHBondContact O-N 2.93Å; G287-Q289 PolarHBondContact O-N 3.29Å; G287-Q289 PolarHBondContact O-NE2 3.2Å
288T85.9Confident86.6Confident51 Ų5159.6 Ų59.631%0.31333%0.326SS..  trans-65133.1174.463.80000108.5D283 A286D283-T288 VanDerWaalsContact CA-OG1 3.26Å; D283-T288 WeakPolarHBondContact CA-OG1 3.47Å; D283-T288 WeakPolarHBondContact CB-OG1 3.38Å; D283-T288 PolarHBondContact O-N 3Å; D283-T288 PolarHBondContact O-OG1 3.01Å; A286-T288 VanDerWaalsContact C-N 3.25Å; A286-T288 HydrophobicContact CB-CG2 4.04Å; A286-T288 PolarHBondContact O-N 3.39Å
289Q84.2Confident86.6Confident89 Ų8959.4 Ų59.442%0.41632%0.324SS..  trans-81.5146.4-175.6-61.5-66.1-38.500109.6G287 Y291 Q292G287-Q289 PolarHBondContact O-N 3.29Å; G287-Q289 PolarHBondContact O-NE2 3.2Å; Q289-Y291 HydrophobicContact CB-CD1 3.38Å; Q289-Y291 HydrophobicContact CB-CE1 3.02Å; Q289-Y291 HydrophobicContact CB-CE2 4.35Å; Q289-Y291 HydrophobicContact CB-CG 4.18Å; Q289-Y291 HydrophobicContact CG-CD1 4.3Å; Q289-Y291 HydrophobicContact CG-CE1 3.49Å; Q289-Y291 VanDerWaalsContact CG-CE1 3.49Å; Q289-Y291 PolarHBondContact O-N 3.47Å; Q289-Q292 PolarHBondContact O-N 3.45Å
290W83.9Confident86.8Confident52 Ų5254.7 Ų54.720%0.19730%0.302CS..Hα-helixtrans-53.3-25.1-179.354.1-89.3000113.9F85 Q292 S293 G294 P297 R298 V299F85-W290 HydrophobicContact CD2-CZ3 4.04Å; F85-W290 AromaticContact CE2-CE3 3.98Å; F85-W290 HydrophobicContact CE2-CE3 3.98Å; F85-W290 AromaticContact CE2-CZ3 3.49Å; F85-W290 HydrophobicContact CE2-CZ3 3.49Å; F85-W290 VanDerWaalsContact CE2-CZ3 3.49Å; F85-W290 HydrophobicContact CZ-CZ3 4.37Å; W290-Q292 VanDerWaalsContact C-N 3.32Å; W290-Q292 PolarHBondContact O-N 3.39Å; W290-S293 PolarHBondContact O-OG 3.3Å; W290-G294 PolarHBondContact O-N 3.05Å; W290-G294 VanDerWaalsContact O-N 3.07Å; W290-P297 HydrophobicContact CE3-CB 3.82Å; W290-P297 HydrophobicContact CZ3-CB 4.11Å; W290-R298 HydrophobicContact CG-CG 4.46Å; W290-V299 HydrophobicContact CH2-CB 3.66Å; W290-V299 HydrophobicContact CH2-CG2 3.83Å; W290-V299 HydrophobicContact CZ2-CB 4.28Å; W290-V299 HydrophobicContact CZ2-CG2 3.94Å; W290-V299 HydrophobicContact CZ3-CB 4.3Å
291Y81.2Confident87Confident76 Ų7655.9 Ų55.930%0.29831%0.307SS..Hα-helixtrans-72.3-23.8178.463.5-102.2000113.6P88 Q289P88-Y291 HydrophobicContact CG-CD2 3.76Å; P88-Y291 HydrophobicContact CG-CG 3.83Å; Q289-Y291 HydrophobicContact CB-CD1 3.38Å; Q289-Y291 HydrophobicContact CB-CE1 3.02Å; Q289-Y291 HydrophobicContact CB-CE2 4.35Å; Q289-Y291 HydrophobicContact CB-CG 4.18Å; Q289-Y291 HydrophobicContact CG-CD1 4.3Å; Q289-Y291 HydrophobicContact CG-CE1 3.49Å; Q289-Y291 VanDerWaalsContact CG-CE1 3.49Å; Q289-Y291 PolarHBondContact O-N 3.47Å
292Q82.2Confident87.1Confident125 Ų12553.2 Ų53.258%0.58429%0.293SS*.Hα-helixtrans-86.4-39.2176.8-62.2-178-35.300111.9Q289 W290 G294Q289-Q292 PolarHBondContact O-N 3.45Å; W290-Q292 VanDerWaalsContact C-N 3.32Å; W290-Q292 PolarHBondContact O-N 3.39Å; Q292-G294 VanDerWaalsContact C-N 3.35Å
293S81.3Confident87.1Confident41 Ų4150.1 Ų50.129%0.28728%0.278SS..Hα-helixtrans-77.5-23.5-179.8630000112.7W290 N295W290-S293 PolarHBondContact O-OG 3.3Å; S293-N295 PolarHBondContact O-N 3.43Å; S293-N295 PolarHBondContact OG-N 3.29Å
294G79.4Confident87.3Confident34 Ų3448.8 Ų48.835%0.35127%0.271SS..  trans68.5-4.6-172.300000113.8W290 Q292W290-G294 PolarHBondContact O-N 3.05Å; W290-G294 VanDerWaalsContact O-N 3.07Å; Q292-G294 VanDerWaalsContact C-N 3.35Å
295N79.7Confident87.3Confident41 Ų4150 Ų5022%0.21928%0.277CS..SBendtrans-89.7131.9-177.9-69-29.4000109.5Q271 S293Q271-N295 PolarHBondContact NE2-OD1 2.83Å; S293-N295 PolarHBondContact O-N 3.43Å; S293-N295 PolarHBondContact OG-N 3.29Å
296F86Confident87Confident7 Ų745 Ų453%0.03125%0.251CS..SBendtrans51.960.4178-60.5-95.6000114.6Y107 L269 M280 R298 N325 N328 E329 F332Y107-F296 HydrophobicContact CE2-CE1 4.32Å; Y107-F296 WeakPolarHBondContact OH-CD1 3.42Å; L269-F296 HydrophobicContact CD1-CZ 4.07Å; L269-F296 HydrophobicContact CD2-CE1 3.87Å; L269-F296 HydrophobicContact CD2-CE2 4.32Å; L269-F296 HydrophobicContact CD2-CZ 3.39Å; L269-F296 HydrophobicContact CG-CZ 4.33Å; M280-F296 HydrophobicContact CE-CD2 3.12Å; M280-F296 HydrophobicContact CE-CE2 3.06Å; M280-F296 HydrophobicContact CE-CG 4.11Å; M280-F296 HydrophobicContact CE-CZ 4Å; M280-F296 HydrophobicContact SD-CD2 4.07Å; M280-F296 HydrophobicContact SD-CE2 3.45Å; M280-F296 WeakPolarHBondContact SD-CE2 3.41Å; M280-F296 HydrophobicContact SD-CZ 4.3Å; F296-R298 PolarHBondContact O-N 3.46Å; F296-N325 WeakPolarHBondContact CA-ND2 3.41Å; F296-N325 VanDerWaalsContact CD1-OD1 3.28Å; F296-N325 WeakPolarHBondContact CD1-OD1 3.38Å; F296-N325 PolarHBondContact O-ND2 3.41Å; F296-N328 HydrophobicContact CD1-CB 4.34Å; F296-N328 HydrophobicContact CE1-CB 4.22Å; F296-E329 HydrophobicContact CB-CB 4.31Å; F296-E329 HydrophobicContact CB-CG 4.36Å; F296-E329 HydrophobicContact CD1-CB 4.27Å; F296-E329 HydrophobicContact CG-CB 4.22Å; F296-E329 HydrophobicContact CG-CG 4.37Å; F296-F332 AromaticContact CE1-CD2 3.69Å; F296-F332 HydrophobicContact CE1-CD2 3.69Å; F296-F332 HydrophobicContact CE1-CE2 4.22Å; F296-F332 AromaticContact CZ-CD2 3.9Å; F296-F332 HydrophobicContact CZ-CD2 3.9Å
297P89.9Confident86.6Confident2 Ų252.7 Ų52.71%0.01327%0.265CS..  trans-66.1135.1179.627.8-33.8000111.9F85 I105 W290 T300 N325F85-P297 HydrophobicContact CB-CB 4.02Å; F85-P297 HydrophobicContact CB-CG 3.78Å; F85-P297 HydrophobicContact CD1-CB 4.46Å; F85-P297 HydrophobicContact CD2-CB 3.53Å; F85-P297 HydrophobicContact CD2-CG 4.26Å; F85-P297 HydrophobicContact CE2-CB 4.17Å; F85-P297 HydrophobicContact CG-CB 3.72Å; F85-P297 HydrophobicContact CG-CG 3.95Å; I105-P297 HydrophobicContact CD1-CG 3.26Å; W290-P297 HydrophobicContact CE3-CB 3.82Å; W290-P297 HydrophobicContact CZ3-CB 4.11Å; P297-T300 HydrophobicContact CB-CG2 4.34Å; P297-T300 HydrophobicContact CG-CG2 4.11Å; P297-N325 PolarHBondContact O-ND2 2.69Å
298R90.8Very high86.2Confident77 Ų7755 Ų5529%0.29126%0.262SS..SBendtrans-92.7-17.3-179.6-60.9179.6-172165.45.8112.6W290 F296 V321 L322 E329W290-R298 HydrophobicContact CG-CG 4.46Å; F296-R298 PolarHBondContact O-N 3.46Å; R298-V321 CarbonylContact O-C 3.57Å; R298-V321 WeakPolarHBondContact O-CA 3.28Å; R298-L322 PolarHBondContact O-N 2.9Å; R298-E329 IonicContact CZ-OE2 3.19Å; R298-E329 IonicContact NE-OE2 3.72Å; R298-E329 IonicContact NH2-OE2 3.99Å; R298-E329 PolarHBondContact NH2-OE2 2.95Å
299V91.7Very high85.6Confident33 Ų3361.9 Ų61.920%0.229%0.293CS..EExtended strand (participates in β ladder)trans-120.7126.9173.5-176.40000107.6W290 Q319 C320W290-V299 HydrophobicContact CH2-CB 3.66Å; W290-V299 HydrophobicContact CH2-CG2 3.83Å; W290-V299 HydrophobicContact CZ2-CB 4.28Å; W290-V299 HydrophobicContact CZ2-CG2 3.94Å; W290-V299 HydrophobicContact CZ3-CB 4.3Å; V299-Q319 HydrophobicContact CG1-CG 3.65Å; V299-C320 WeakPolarHBondContact CA-O 3.5Å
300T91.9Very high85.3Confident0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-134.6159.1-178.958.10000109.7T83 Y84 I105 P297 C320T83-T300 VanDerWaalsContact CB-OG1 3.3Å; T83-T300 WeakPolarHBondContact CB-OG1 3.37Å; T83-T300 WeakPolarHBondContact OG1-CB 3.36Å; T83-T300 PolarHBondContact OG1-OG1 3.46Å; T83-T300 VanDerWaalsContact OG1-OG1 3.08Å; Y84-T300 WeakPolarHBondContact O-CA 3.18Å; I105-T300 HydrophobicContact CD1-CG2 4.23Å; P297-T300 HydrophobicContact CB-CG2 4.34Å; P297-T300 HydrophobicContact CG-CG2 4.11Å; T300-C320 PolarHBondContact N-O 3.33Å; T300-C320 PolarHBondContact O-N 2.93Å
301F92.4Very high84.7Confident38 Ų3865.4 Ų65.417%0.16733%0.332CS..EExtended strand (participates in β ladder)trans-104.8146.3176.9-65.1-84.7000110.4T83 Y84 I86 I93 L318 Q319T83-F301 WeakPolarHBondContact CA-O 3.23Å; T83-F301 WeakPolarHBondContact CB-O 3.47Å; Y84-F301 HydrophobicContact CD1-CB 4.49Å; Y84-F301 WeakPolarHBondContact CD1-O 3.42Å; Y84-F301 HydrophobicContact CD2-CB 4.19Å; Y84-F301 HydrophobicContact CE1-CB 3.96Å; Y84-F301 HydrophobicContact CE2-CB 3.61Å; Y84-F301 HydrophobicContact CE2-CG 4.36Å; Y84-F301 VanDerWaalsContact CZ-CB 3.46Å; Y84-F301 PolarHBondContact N-O 3.3Å; Y84-F301 PolarHBondContact O-N 3.19Å; I86-F301 HydrophobicContact CB-CD2 4.09Å; I86-F301 HydrophobicContact CB-CE2 3.95Å; I86-F301 HydrophobicContact CD1-CD2 4.04Å; I86-F301 HydrophobicContact CD1-CE2 4.35Å; I86-F301 HydrophobicContact CG1-CD2 4.19Å; I86-F301 HydrophobicContact CG1-CE2 4.49Å; I93-F301 HydrophobicContact CD1-CE1 4.43Å; F301-L318 WeakPolarHBondContact CA-O 3.48Å; F301-Q319 HydrophobicContact CD1-CB 4.35Å; F301-Q319 HydrophobicContact CE1-CB 4.14Å; F301-Q319 HydrophobicContact CE1-CG 4.24Å
302C92.7Very high84.3Confident0 Ų068.3 Ų68.30%035%0.353CS..EExtended strand (participates in β ladder)trans-130.1135.8178.9172.80000109.3C78 T83 T317 L318C78-C302 WeakPolarHBondContact CA-SG 3.2Å; C78-C302 HydrophobicContact CB-CB 3.72Å; C78-C302 WeakPolarHBondContact CB-SG 3.46Å; C78-C302 WeakPolarHBondContact SG-CB 3.31Å; C78-C302 CovalentContact SG-SG 2.04Å; C78-C302 PolarHBondContact SG-SG 3.43Å; T83-C302 HydrophobicContact CG2-CB 4.2Å; C302-T317 CarbonylContact O-C 3.56Å; C302-T317 WeakPolarHBondContact O-CA 3.36Å; C302-L318 PolarHBondContact N-O 2.93Å; C302-L318 PolarHBondContact O-N 2.81Å
303D91.5Very high84.2Confident37 Ų3769.3 Ų69.320%0.19835%0.352CS..EExtended strand (participates in β ladder)trans-98.4113174.1-62.5-48.9000109.7Y84 R100 R315 T317Y84-D303 WeakPolarHBondContact CE1-OD2 3.34Å; Y84-D303 PolarHBondContact OH-OD1 3.31Å; R100-D303 IonicContact NH1-OD1 2.94Å; R100-D303 PolarHBondContact NH1-OD1 2.89Å; D303-R315 IonicContact OD1-CZ 3.96Å; D303-R315 IonicContact OD1-NE 3.52Å; D303-R315 IonicContact OD1-NH1 3.71Å; D303-R315 IonicContact OD1-NH2 2.96Å; D303-R315 PolarHBondContact OD1-NH2 3.02Å; D303-R315 IonicContact OD2-CZ 2.72Å; D303-R315 IonicContact OD2-NH1 3.22Å; D303-R315 PolarHBondContact OD2-NH1 2.74Å; D303-R315 IonicContact OD2-NH2 3.56Å; D303-R315 PolarHBondContact OD2-NH2 3.31Å; D303-T317 WeakPolarHBondContact OD1-CG2 3.47Å
304L90.7Very high84.3Confident2 Ų270.8 Ų70.81%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-103.2113.4177.7-179.669.8000110.3F66 Y73 A74 V77 M306 R315 Y316 L318F66-L304 HydrophobicContact CE2-CD2 4.15Å; Y73-L304 HydrophobicContact CE1-CD1 4.38Å; A74-L304 HydrophobicContact CB-CD2 3.78Å; V77-L304 HydrophobicContact CB-CD1 3.98Å; V77-L304 HydrophobicContact CG1-CD1 3.65Å; V77-L304 HydrophobicContact CG2-CD1 4.4Å; L304-M306 HydrophobicContact CD2-CE 4.43Å; L304-M306 HydrophobicContact CD2-CG 4.01Å; L304-M306 HydrophobicContact CD2-SD 4.03Å; L304-M306 HydrophobicContact CG-CG 3.99Å; L304-R315 WeakPolarHBondContact O-CA 3.22Å; L304-Y316 PolarHBondContact N-O 3.47Å; L304-Y316 PolarHBondContact O-N 2.91Å; L304-L318 HydrophobicContact CB-CD1 4.14Å; L304-L318 HydrophobicContact CB-CG 4.49Å; L304-L318 HydrophobicContact CD2-CD1 4.01Å
305D87.9Confident84.7Confident94 Ų9473 Ų7350%0.50335%0.352SS..EExtended strand (participates in β ladder)trans-94.9113.1174-66.5-35.5000110.4R315D305-R315 WeakPolarHBondContact OD1-CB 3.37Å; D305-R315 WeakPolarHBondContact OD1-CD 3.44Å; D305-R315 WeakPolarHBondContact OD1-CG 3.24Å
306M84.6Confident85.1Confident27 Ų2773.5 Ų73.513%0.13335%0.351CS..EExtended strand (participates in β ladder)trans-109.7136.1175.8-66.3-165.9-66.500111.3F66 L304 H314 Y316F66-M306 HydrophobicContact CE1-CE 3.65Å; F66-M306 HydrophobicContact CE2-CE 3.95Å; F66-M306 HydrophobicContact CE2-SD 4.46Å; F66-M306 HydrophobicContact CZ-CE 3.17Å; F66-M306 HydrophobicContact CZ-SD 4.22Å; L304-M306 HydrophobicContact CD2-CE 4.43Å; L304-M306 HydrophobicContact CD2-CG 4.01Å; L304-M306 HydrophobicContact CD2-SD 4.03Å; L304-M306 HydrophobicContact CG-CG 3.99Å; M306-H314 PolarHBondContact N-O 3.35Å; M306-H314 PolarHBondContact O-N 3.49Å; M306-Y316 HydrophobicContact CE-CD2 3.51Å; M306-Y316 HydrophobicContact CE-CE2 3.3Å; M306-Y316 HydrophobicContact CE-CG 4.49Å
307R83.3Confident85.4Confident237 Ų23776.3 Ų76.389%0.89437%0.369SS*.  trans-83.4117.1174.7-61-175.3178.1175.5-0.7109.2
308K79.2Confident85.6Confident93 Ų9376.3 Ų76.340%0.40437%0.369SS..  trans-122.7157.5170.6-69.6-177.6174177.90108.8Y316K308-Y316 PolarHBondContact NZ-OH 2.86Å; K308-Y316 VanDerWaalsContact NZ-OH 3.13Å
309M74Confident85.7Confident194 Ų19477.3 Ų77.396%0.95638%0.377SS*.SBendtrans-65.1140.1175-63.4-61.2-175.200110.4
310G76.7Confident85.9Confident83 Ų8375.8 Ų75.886%0.85637%0.368SS*.SBendtrans113.2-73.4179.400000112.9
311K70.6Confident85.9Confident133 Ų13379.4 Ų79.458%0.57839%0.389SS*.SBendtrans-113.3118.7172.8-157.3172.7-175.11750107.6Y313 H314K311-Y313 PolarHBondContact O-N 2.89Å; K311-H314 PolarHBondContact O-CD2 3.33Å
312N72.8Confident85.9Confident137 Ų13777.6 Ų77.673%0.73338%0.382SS*.SBendtrans-52.2-21-167.2-70.1-31.4000115.3
313Y81.1Confident85.7Confident145 Ų14580.4 Ų80.457%0.56940%0.401SS*.  trans-138.7127.9177.161.8-81.7000110.7K311K311-Y313 PolarHBondContact O-N 2.89Å
314H83.6Confident85.6Confident73 Ų7378.9 Ų78.934%0.33839%0.393SS..EExtended strand (participates in β ladder)trans-113.4117165.9-78.4-95.4000108.5M306 K311 Y316M306-H314 PolarHBondContact N-O 3.35Å; M306-H314 PolarHBondContact O-N 3.49Å; K311-H314 PolarHBondContact O-CD2 3.33Å; H314-Y316 HydrophobicContact CB-CE2 4.11Å
315R86.8Confident85.6Confident79 Ų7978.8 Ų78.830%0.29839%0.393SS..EExtended strand (participates in β ladder)trans-96.8122.9-176.4-179.1167.1150.4123.8-3.3110.7D303 L304 D305D303-R315 IonicContact OD1-CZ 3.96Å; D303-R315 IonicContact OD1-NE 3.52Å; D303-R315 IonicContact OD1-NH1 3.71Å; D303-R315 IonicContact OD1-NH2 2.96Å; D303-R315 PolarHBondContact OD1-NH2 3.02Å; D303-R315 IonicContact OD2-CZ 2.72Å; D303-R315 IonicContact OD2-NH1 3.22Å; D303-R315 PolarHBondContact OD2-NH1 2.74Å; D303-R315 IonicContact OD2-NH2 3.56Å; D303-R315 PolarHBondContact OD2-NH2 3.31Å; L304-R315 WeakPolarHBondContact O-CA 3.22Å; D305-R315 WeakPolarHBondContact OD1-CB 3.37Å; D305-R315 WeakPolarHBondContact OD1-CD 3.44Å; D305-R315 WeakPolarHBondContact OD1-CG 3.24Å
316Y89.9Confident85.6Confident52 Ų5279.2 Ų79.220%0.20439%0.393CS..EExtended strand (participates in β ladder)trans-110.1133174.6-68-90.6000109.6P63 F66 L304 M306 K308 H314P63-Y316 HydrophobicContact CG-CD1 4.19Å; P63-Y316 HydrophobicContact CG-CE1 4.36Å; F66-Y316 HydrophobicContact CE1-CE1 4.44Å; F66-Y316 HydrophobicContact CZ-CD1 4.46Å; F66-Y316 HydrophobicContact CZ-CD2 4.34Å; F66-Y316 HydrophobicContact CZ-CE2 4.43Å; F66-Y316 HydrophobicContact CZ-CG 4.34Å; L304-Y316 PolarHBondContact N-O 3.47Å; L304-Y316 PolarHBondContact O-N 2.91Å; M306-Y316 HydrophobicContact CE-CD2 3.51Å; M306-Y316 HydrophobicContact CE-CE2 3.3Å; M306-Y316 HydrophobicContact CE-CG 4.49Å; K308-Y316 PolarHBondContact NZ-OH 2.86Å; K308-Y316 VanDerWaalsContact NZ-OH 3.13Å; H314-Y316 HydrophobicContact CB-CE2 4.11Å
317T91.7Very high85.8Confident66 Ų6681 Ų8141%0.40540%0.4SS..EExtended strand (participates in β ladder)trans-96.8108.7172.554.80000108.9C302 D303C302-T317 CarbonylContact O-C 3.56Å; C302-T317 WeakPolarHBondContact O-CA 3.36Å; D303-T317 WeakPolarHBondContact OD1-CG2 3.47Å
318L93Very high86.1Confident3 Ų369.7 Ų69.72%0.01636%0.357CS..EExtended strand (participates in β ladder)trans-98138.7-178.3-54.4-179.6000110.2T62 A74 F301 C302 L304T62-L318 HydrophobicContact CG2-CD1 4.14Å; T62-L318 HydrophobicContact CG2-CD2 4.3Å; A74-L318 HydrophobicContact CB-CD1 3.82Å; F301-L318 WeakPolarHBondContact CA-O 3.48Å; C302-L318 PolarHBondContact N-O 2.93Å; C302-L318 PolarHBondContact O-N 2.81Å; L304-L318 HydrophobicContact CB-CD1 4.14Å; L304-L318 HydrophobicContact CB-CG 4.49Å; L304-L318 HydrophobicContact CD2-CD1 4.01Å
319Q94Very high86.7Confident98 Ų9866.1 Ų66.146%0.45834%0.342SS..EExtended strand (participates in β ladder)trans-92.3121.7171.8-178.4176.5-17.900108.9W61 V299 F301W61-Q319 PolarHBondContact N-O 3.18Å; V299-Q319 HydrophobicContact CG1-CG 3.65Å; F301-Q319 HydrophobicContact CD1-CB 4.35Å; F301-Q319 HydrophobicContact CE1-CB 4.14Å; F301-Q319 HydrophobicContact CE1-CG 4.24Å
320C94.5Very high87.5Confident0 Ų060.9 Ų60.90%031%0.314CS..EExtended strand (participates in β ladder)trans-121.7135.3-174.8-55.60000112I58 A59 C60 V299 T300I58-C320 HydrophobicContact CD1-CB 3.64Å; I58-C320 HydrophobicContact CG1-CB 3.75Å; A59-C320 CarbonylContact O-C 3.42Å; A59-C320 VanDerWaalsContact O-CA 3.3Å; A59-C320 WeakPolarHBondContact O-CA 3.3Å; C60-C320 HydrophobicContact CB-CB 4.08Å; C60-C320 WeakPolarHBondContact CB-SG 3.19Å; C60-C320 WeakPolarHBondContact SG-CB 3.45Å; C60-C320 CovalentContact SG-SG 2.05Å; C60-C320 PolarHBondContact SG-SG 3.34Å; V299-C320 WeakPolarHBondContact CA-O 3.5Å; T300-C320 PolarHBondContact N-O 3.33Å; T300-C320 PolarHBondContact O-N 2.93Å
321V93.5Very high88.2Confident76 Ų7657.9 Ų57.946%0.46128%0.278SS..EExtended strand (participates in β ladder)trans-93124.2173.8-1780000109I58 A59 R298I58-V321 WeakPolarHBondContact CA-O 3.49Å; A59-V321 PolarHBondContact N-O 2.86Å; A59-V321 PolarHBondContact O-N 3.33Å; R298-V321 CarbonylContact O-C 3.57Å; R298-V321 WeakPolarHBondContact O-CA 3.28Å
322L91.3Very high89.3Confident1 Ų151.5 Ų51.51%0.00525%0.25CS..  trans-104.281.9-175.6-16665.3000110.1I58 W79 Y108 R298 I324 N325I58-L322 HydrophobicContact CB-CD1 4.11Å; I58-L322 HydrophobicContact CD1-CD1 4.26Å; I58-L322 HydrophobicContact CG1-CD1 4.19Å; W79-L322 HydrophobicContact CE3-CD1 4.5Å; W79-L322 HydrophobicContact CZ3-CD1 3.97Å; Y108-L322 HydrophobicContact CD1-CD2 3.82Å; Y108-L322 HydrophobicContact CE1-CD2 3.98Å; Y108-L322 HydrophobicContact CG-CD2 4.42Å; R298-L322 PolarHBondContact O-N 2.9Å; L322-I324 VanDerWaalsContact C-N 3.26Å; L322-I324 HydrophobicContact CD1-CG2 3.75Å; L322-I324 HydrophobicContact CD2-CG2 4.48Å; L322-I324 HydrophobicContact CG-CG2 3.77Å; L322-I324 PolarHBondContact O-N 2.88Å; L322-N325 HydrophobicContact CD2-CB 4.2Å; L322-N325 HydrophobicContact CG-CB 4.25Å; L322-N325 WeakPolarHBondContact O-CB 3.48Å; L322-N325 PolarHBondContact O-N 2.93Å; L322-N325 VanDerWaalsContact O-N 3.15Å
323S90.1Very high90.2Very high58 Ų5845.6 Ų45.641%0.40622%0.219SC..THydrogen-bonded Turntrans-64.4-28.6-176.147.80000113.6K56 P57 N325 M326K56-S323 PolarHBondContact O-OG 3.01Å; P57-S323 PolarHBondContact O-N 3.31Å; P57-S323 PolarHBondContact O-OG 3.2Å; S323-N325 PolarHBondContact O-N 3.44Å; S323-M326 PolarHBondContact O-N 3.28Å
324I89.2Confident90.9Very high5 Ų543.4 Ų43.43%0.02621%0.212CC..Hα-helixtrans-60.3-27.2176.5-167.6166000112.2I48 W79 L322 M326 F327 N328I48-I324 HydrophobicContact CG2-CD1 4.27Å; W79-I324 HydrophobicContact CH2-CD1 4.28Å; W79-I324 HydrophobicContact CH2-CG2 4.43Å; W79-I324 HydrophobicContact CZ3-CG2 4.33Å; L322-I324 VanDerWaalsContact C-N 3.26Å; L322-I324 HydrophobicContact CD1-CG2 3.75Å; L322-I324 HydrophobicContact CD2-CG2 4.48Å; L322-I324 HydrophobicContact CG-CG2 3.77Å; L322-I324 PolarHBondContact O-N 2.88Å; I324-M326 VanDerWaalsContact C-N 3.3Å; I324-M326 PolarHBondContact O-N 2.9Å; I324-F327 PolarHBondContact O-N 3.35Å; I324-F327 VanDerWaalsContact O-N 3.12Å; I324-N328 PolarHBondContact O-N 3.19Å; I324-N328 VanDerWaalsContact O-N 3.1Å
325N90.2Very high91.3Very high1 Ų139.9 Ų39.91%0.00520%0.196CC..Hα-helixtrans-70.5-29-175-14218000113.4Y107 F296 P297 L322 S323 F327 N328 E329Y107-N325 PolarHBondContact OH-ND2 3Å; Y107-N325 PolarHBondContact OH-OD1 3.05Å; F296-N325 WeakPolarHBondContact CA-ND2 3.41Å; F296-N325 VanDerWaalsContact CD1-OD1 3.28Å; F296-N325 WeakPolarHBondContact CD1-OD1 3.38Å; F296-N325 PolarHBondContact O-ND2 3.41Å; P297-N325 PolarHBondContact O-ND2 2.69Å; L322-N325 HydrophobicContact CD2-CB 4.2Å; L322-N325 HydrophobicContact CG-CB 4.25Å; L322-N325 WeakPolarHBondContact O-CB 3.48Å; L322-N325 PolarHBondContact O-N 2.93Å; L322-N325 VanDerWaalsContact O-N 3.15Å; S323-N325 PolarHBondContact O-N 3.44Å; N325-F327 PolarHBondContact O-N 2.86Å; N325-N328 PolarHBondContact O-N 3.01Å; N325-E329 WeakPolarHBondContact O-CB 3.39Å; N325-E329 PolarHBondContact O-N 3.12Å
326M87.7Confident91.7Very high102 Ų10236.8 Ų36.850%0.50218%0.184SC..Hα-helixtrans-60.6-34.4173.3-174-180-179.700111.7S323 I324S323-M326 PolarHBondContact O-N 3.28Å; I324-M326 VanDerWaalsContact C-N 3.3Å; I324-M326 PolarHBondContact O-N 2.9Å
327F88.6Confident92Very high65 Ų6538 Ų3829%0.28519%0.19SC..Hα-helixtrans-78.8-44.5176.4-66.7-83.9000111.6R51 I324 N325 E329 K330 I331R51-F327 HydrophobicContact CG-CD2 4.44Å; R51-F327 HydrophobicContact CG-CE2 4.47Å; R51-F327 VanDerWaalsContact NH2-CZ 3.28Å; I324-F327 PolarHBondContact O-N 3.35Å; I324-F327 VanDerWaalsContact O-N 3.12Å; N325-F327 PolarHBondContact O-N 2.86Å; F327-E329 VanDerWaalsContact C-N 3.32Å; F327-E329 PolarHBondContact O-N 2.84Å; F327-K330 PolarHBondContact O-N 2.96Å; F327-K330 VanDerWaalsContact O-N 3.16Å; F327-I331 HydrophobicContact CB-CD1 4.49Å; F327-I331 WeakPolarHBondContact O-CG1 3.28Å; F327-I331 PolarHBondContact O-N 3.27Å
328N90.6Very high92.1Very high0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-57.2-45179.3-73-18.3000111.8F296 I324 N325 K330 I331 F332F296-N328 HydrophobicContact CD1-CB 4.34Å; F296-N328 HydrophobicContact CE1-CB 4.22Å; I324-N328 PolarHBondContact O-N 3.19Å; I324-N328 VanDerWaalsContact O-N 3.1Å; N325-N328 PolarHBondContact O-N 3.01Å; N328-K330 VanDerWaalsContact C-N 3.3Å; N328-K330 PolarHBondContact O-N 2.92Å; N328-I331 PolarHBondContact O-N 3.27Å; N328-F332 HydrophobicContact CB-CD2 4.06Å; N328-F332 HydrophobicContact CB-CE2 3.99Å; N328-F332 WeakPolarHBondContact O-CB 3.38Å; N328-F332 WeakPolarHBondContact O-CD2 3.46Å; N328-F332 WeakPolarHBondContact O-CG 3.3Å; N328-F332 PolarHBondContact O-N 2.84Å
329E90.5Very high92.2Very high18 Ų1838.3 Ų38.38%0.08418%0.184CC..Hα-helixtrans-52.2-48.4176.5-169.2-158.1128.200111.2M280 F296 R298 N325 F327 I333M280-E329 HydrophobicContact CE-CG 3.89Å; F296-E329 HydrophobicContact CB-CB 4.31Å; F296-E329 HydrophobicContact CB-CG 4.36Å; F296-E329 HydrophobicContact CD1-CB 4.27Å; F296-E329 HydrophobicContact CG-CB 4.22Å; F296-E329 HydrophobicContact CG-CG 4.37Å; R298-E329 IonicContact CZ-OE2 3.19Å; R298-E329 IonicContact NE-OE2 3.72Å; R298-E329 IonicContact NH2-OE2 3.99Å; R298-E329 PolarHBondContact NH2-OE2 2.95Å; N325-E329 WeakPolarHBondContact O-CB 3.39Å; N325-E329 PolarHBondContact O-N 3.12Å; F327-E329 VanDerWaalsContact C-N 3.32Å; F327-E329 PolarHBondContact O-N 2.84Å; E329-I333 HydrophobicContact CG-CD1 4.35Å; E329-I333 WeakPolarHBondContact O-CD1 3.49Å; E329-I333 WeakPolarHBondContact O-CG1 3.3Å; E329-I333 PolarHBondContact O-N 3.34Å
330K90.6Very high92.2Very high83 Ų8335.7 Ų35.736%0.36117%0.173SC..Hα-helixtrans-72.3-41.8-178.9-55.5-47.8178.2-157.30113L284 F327 N328 F334L284-K330 HydrophobicContact CD2-CD 4.33Å; F327-K330 PolarHBondContact O-N 2.96Å; F327-K330 VanDerWaalsContact O-N 3.16Å; N328-K330 VanDerWaalsContact C-N 3.3Å; N328-K330 PolarHBondContact O-N 2.92Å; K330-F334 PolarHBondContact O-N 3.34Å
331I92.9Very high92.3Very high20 Ų2039 Ų3910%0.10320%0.195CC..Hα-helixtrans-64.5-44.4-179.7-68.4170.3000110.1C44 I47 I48 F327 N328 F334 L335C44-I331 HydrophobicContact CB-CG2 4.18Å; I47-I331 HydrophobicContact CG2-CD1 4.38Å; I48-I331 HydrophobicContact CD1-CD1 3.75Å; I48-I331 HydrophobicContact CD1-CG2 4.37Å; I48-I331 HydrophobicContact CG1-CD1 3.47Å; I48-I331 VanDerWaalsContact CG1-CD1 3.47Å; F327-I331 HydrophobicContact CB-CD1 4.49Å; F327-I331 WeakPolarHBondContact O-CG1 3.28Å; F327-I331 PolarHBondContact O-N 3.27Å; N328-I331 PolarHBondContact O-N 3.27Å; I331-F334 PolarHBondContact O-N 3.06Å; I331-L335 HydrophobicContact CG2-CD1 3.75Å; I331-L335 HydrophobicContact CG2-CG 4.12Å; I331-L335 WeakPolarHBondContact O-CB 3.35Å; I331-L335 VanDerWaalsContact O-CG 3.28Å; I331-L335 WeakPolarHBondContact O-CG 3.49Å; I331-L335 PolarHBondContact O-N 3.48Å
332F92.9Very high92.4Very high0 Ų035.7 Ų35.70%018%0.175CC..Hα-helixtrans-70.4-35-179.1-72.1-52.6000113.4V111 L265 F268 L269 F296 N328 L335 W336V111-F332 HydrophobicContact CB-CZ 4.41Å; V111-F332 HydrophobicContact CG1-CE1 4.34Å; V111-F332 HydrophobicContact CG1-CE2 4.28Å; V111-F332 HydrophobicContact CG1-CZ 3.61Å; V111-F332 HydrophobicContact CG2-CE2 4.17Å; V111-F332 HydrophobicContact CG2-CZ 3.9Å; L265-F332 HydrophobicContact CD1-CD1 3.46Å; L265-F332 VanDerWaalsContact CD1-CD1 3.46Å; L265-F332 HydrophobicContact CD1-CE1 3.48Å; L265-F332 VanDerWaalsContact CD1-CE1 3.48Å; L265-F332 HydrophobicContact CD1-CG 4.48Å; F268-F332 HydrophobicContact CE1-CZ 4.46Å; L269-F332 HydrophobicContact CD1-CB 4.41Å; L269-F332 HydrophobicContact CD1-CG 4.3Å; L269-F332 HydrophobicContact CD2-CD2 4.04Å; L269-F332 HydrophobicContact CD2-CE2 3.96Å; L269-F332 HydrophobicContact CD2-CZ 4.46Å; F296-F332 AromaticContact CE1-CD2 3.69Å; F296-F332 HydrophobicContact CE1-CD2 3.69Å; F296-F332 HydrophobicContact CE1-CE2 4.22Å; F296-F332 AromaticContact CZ-CD2 3.9Å; F296-F332 HydrophobicContact CZ-CD2 3.9Å; N328-F332 HydrophobicContact CB-CD2 4.06Å; N328-F332 HydrophobicContact CB-CE2 3.99Å; N328-F332 WeakPolarHBondContact O-CB 3.38Å; N328-F332 WeakPolarHBondContact O-CD2 3.46Å; N328-F332 WeakPolarHBondContact O-CG 3.3Å; N328-F332 PolarHBondContact O-N 2.84Å; F332-L335 HydrophobicContact CD1-CD1 4.29Å; F332-L335 PolarHBondContact O-N 3.14Å; F332-W336 WeakPolarHBondContact O-CB 3.42Å; F332-W336 PolarHBondContact O-N 3.47Å
333I92.5Very high92.6Very high13 Ų1336 Ų367%0.06718%0.177CC..Hα-helixtrans-59.9-49.6170.5-69.3167.4000109.8M280 L281 L284 E329 W336 F337M280-I333 HydrophobicContact CB-CD1 4.18Å; M280-I333 HydrophobicContact CB-CG1 4.06Å; M280-I333 HydrophobicContact CE-CD1 4.41Å; M280-I333 HydrophobicContact CE-CG1 4.38Å; L281-I333 HydrophobicContact CB-CG2 4.46Å; L281-I333 HydrophobicContact CD1-CG2 4.33Å; L284-I333 HydrophobicContact CD2-CD1 4.25Å; E329-I333 HydrophobicContact CG-CD1 4.35Å; E329-I333 WeakPolarHBondContact O-CD1 3.49Å; E329-I333 WeakPolarHBondContact O-CG1 3.3Å; E329-I333 PolarHBondContact O-N 3.34Å; I333-W336 PolarHBondContact O-N 3.41Å; I333-F337 HydrophobicContact CG2-CD2 4.06Å; I333-F337 HydrophobicContact CG2-CE2 3.76Å; I333-F337 WeakPolarHBondContact O-CD2 3.46Å; I333-F337 PolarHBondContact O-N 3.49Å
334F94Very high92.9Very high98 Ų9838.4 Ų38.443%0.4319%0.185SC..Hα-helixtrans-59.2-48.6177.3167.4-101.1000112.4V40 K330 I331 W336 F337 W338V40-F334 HydrophobicContact CG1-CE1 3.71Å; V40-F334 HydrophobicContact CG1-CZ 4.14Å; K330-F334 PolarHBondContact O-N 3.34Å; I331-F334 PolarHBondContact O-N 3.06Å; F334-W336 VanDerWaalsContact C-N 3.27Å; F334-W336 PolarHBondContact O-N 2.92Å; F334-F337 PolarHBondContact O-N 2.91Å; F334-W338 HydrophobicContact CE2-CE3 4.38Å; F334-W338 HydrophobicContact CZ-CD2 4.46Å; F334-W338 AromaticContact CZ-CE3 3.98Å; F334-W338 HydrophobicContact CZ-CE3 3.98Å; F334-W338 WeakPolarHBondContact O-CB 3.16Å; F334-W338 PolarHBondContact O-N 3.34Å
335L94Very high93.2Very high0 Ų041.2 Ų41.20%020%0.199CC..Hα-helixtrans-62.2-34.7179.8-73.4178.1000112.1L41 L115 I331 F332 W338 L339L41-L335 HydrophobicContact CD2-CD1 4.35Å; L41-L335 HydrophobicContact CD2-CD2 3.75Å; L115-L335 HydrophobicContact CD2-CD1 3.55Å; I331-L335 HydrophobicContact CG2-CD1 3.75Å; I331-L335 HydrophobicContact CG2-CG 4.12Å; I331-L335 WeakPolarHBondContact O-CB 3.35Å; I331-L335 VanDerWaalsContact O-CG 3.28Å; I331-L335 WeakPolarHBondContact O-CG 3.49Å; I331-L335 PolarHBondContact O-N 3.48Å; F332-L335 HydrophobicContact CD1-CD1 4.29Å; F332-L335 PolarHBondContact O-N 3.14Å; L335-W338 PolarHBondContact O-N 3.35Å; L335-L339 VanDerWaalsContact O-CB 3.28Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 WeakPolarHBondContact O-CG 3.17Å; L335-L339 PolarHBondContact O-N 2.82Å
336W94.7Very high93.5Very high14 Ų1441.3 Ų41.35%0.05320%0.2CC..Hα-helixtrans-61.8-51.1175.9-17491.5000111.7I274 F275 F276 P278 F332 I333 F334 W338 L339 I340I274-W336 PolarHBondContact O-NE1 3.08Å; F275-W336 HydrophobicContact CD1-CZ2 4.27Å; F276-W336 AromaticContact CE1-CD1 3.44Å; F276-W336 VanDerWaalsContact CE1-CD1 3.44Å; F276-W336 AromaticContact CE1-NE1 3.95Å; F276-W336 HydrophobicContact CE2-CB 4.49Å; F276-W336 HydrophobicContact CE2-CG 4.5Å; F276-W336 HydrophobicContact CZ-CB 4.33Å; F276-W336 AromaticContact CZ-CD1 3.44Å; F276-W336 VanDerWaalsContact CZ-CD1 3.44Å; F276-W336 HydrophobicContact CZ-CG 4.21Å; P278-W336 VanDerWaalsContact CD-CZ3 3.46Å; P278-W336 HydrophobicContact CG-CE3 4.3Å; P278-W336 HydrophobicContact CG-CH2 3.26Å; P278-W336 HydrophobicContact CG-CZ2 3.85Å; P278-W336 HydrophobicContact CG-CZ3 3.52Å; F332-W336 WeakPolarHBondContact O-CB 3.42Å; F332-W336 PolarHBondContact O-N 3.47Å; I333-W336 PolarHBondContact O-N 3.41Å; F334-W336 VanDerWaalsContact C-N 3.27Å; F334-W336 PolarHBondContact O-N 2.92Å; W336-W338 VanDerWaalsContact C-N 3.33Å; W336-W338 PolarHBondContact O-N 3.29Å; W336-L339 PolarHBondContact O-N 3.04Å; W336-I340 HydrophobicContact CD2-CG1 4.02Å; W336-I340 HydrophobicContact CE3-CG1 4.14Å; W336-I340 HydrophobicContact CH2-CD1 4.31Å; W336-I340 HydrophobicContact CH2-CG1 3.79Å; W336-I340 HydrophobicContact CZ2-CD1 3.97Å; W336-I340 HydrophobicContact CZ2-CG1 3.71Å; W336-I340 HydrophobicContact CZ3-CG1 4.01Å; W336-I340 WeakPolarHBondContact O-CG1 3.43Å; W336-I340 PolarHBondContact O-N 2.9Å
337F94.9Very high93.9Very high76 Ų7639.8 Ų39.833%0.33319%0.193SC..Hα-helixtrans-62.1-42.9177.5-74-70.9000111.4L281 I333 F334 I340 C341L281-F337 HydrophobicContact CB-CE2 4.32Å; L281-F337 HydrophobicContact CB-CZ 4.35Å; L281-F337 HydrophobicContact CD2-CE2 3.7Å; L281-F337 HydrophobicContact CD2-CZ 3.48Å; L281-F337 VanDerWaalsContact CD2-CZ 3.48Å; L281-F337 HydrophobicContact CG-CE2 4.5Å; I333-F337 HydrophobicContact CG2-CD2 4.06Å; I333-F337 HydrophobicContact CG2-CE2 3.76Å; I333-F337 WeakPolarHBondContact O-CD2 3.46Å; I333-F337 PolarHBondContact O-N 3.49Å; F334-F337 PolarHBondContact O-N 2.91Å; F337-I340 PolarHBondContact O-N 3.4Å; F337-C341 WeakPolarHBondContact O-CB 3.37Å; F337-C341 PolarHBondContact O-N 3.11Å; F337-C341 PolarHBondContact O-SG 3.45Å
338W95Very high94.3Very high75 Ų7541.3 Ų41.328%0.28420%0.201SC..Hα-helixtrans-57.4-52.7176-175.1-89.5000111.7T37 V40 F334 L335 W336 I340 C341 I342T37-W338 PolarHBondContact OG1-NE1 3.37Å; V40-W338 HydrophobicContact CG2-CH2 4.08Å; V40-W338 HydrophobicContact CG2-CZ2 3.88Å; F334-W338 HydrophobicContact CE2-CE3 4.38Å; F334-W338 HydrophobicContact CZ-CD2 4.46Å; F334-W338 AromaticContact CZ-CE3 3.98Å; F334-W338 HydrophobicContact CZ-CE3 3.98Å; F334-W338 WeakPolarHBondContact O-CB 3.16Å; F334-W338 PolarHBondContact O-N 3.34Å; L335-W338 PolarHBondContact O-N 3.35Å; W336-W338 VanDerWaalsContact C-N 3.33Å; W336-W338 PolarHBondContact O-N 3.29Å; W338-I340 VanDerWaalsContact C-N 3.35Å; W338-I340 PolarHBondContact O-N 3.37Å; W338-C341 PolarHBondContact O-N 3.15Å; W338-I342 VanDerWaalsContact O-CG1 3.29Å; W338-I342 WeakPolarHBondContact O-CG1 3.41Å; W338-I342 PolarHBondContact O-N 2.99Å
339L94.4Very high94.5Very high1 Ų141.5 Ų41.51%0.00520%0.202CC..Hα-helixtrans-66.3-33.1-177.5-72.4173000113.1F122 Q261 L262 L265 L335 W336 S343F122-L339 HydrophobicContact CE2-CD2 3.66Å; F122-L339 HydrophobicContact CZ-CD2 3.51Å; Q261-L339 HydrophobicContact CB-CD1 4.46Å; Q261-L339 HydrophobicContact CB-CD2 4.32Å; L262-L339 HydrophobicContact CD2-CB 3.43Å; L262-L339 VanDerWaalsContact CD2-CB 3.43Å; L262-L339 HydrophobicContact CD2-CD1 4.25Å; L262-L339 HydrophobicContact CD2-CG 4.5Å; L262-L339 HydrophobicContact CG-CB 3.85Å; L265-L339 HydrophobicContact CD2-CD1 4.19Å; L335-L339 VanDerWaalsContact O-CB 3.28Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 WeakPolarHBondContact O-CG 3.17Å; L335-L339 PolarHBondContact O-N 2.82Å; W336-L339 PolarHBondContact O-N 3.04Å; L339-S343 WeakPolarHBondContact O-CB 3.3Å; L339-S343 PolarHBondContact O-N 3.44Å; L339-S343 PolarHBondContact O-OG 2.98Å
340I94.8Very high94.8Very high43 Ų4343.6 Ų43.622%0.22121%0.211CC..Hα-helixtrans-65.8-48.8172.2-72.3-73.5000110.7L262 W336 F337 W338 I342 S343 L344L262-I340 HydrophobicContact CD1-CD1 3.56Å; L262-I340 HydrophobicContact CD1-CG1 4.15Å; L262-I340 HydrophobicContact CD2-CD1 4.09Å; L262-I340 HydrophobicContact CD2-CG1 3.97Å; L262-I340 HydrophobicContact CG-CD1 4.49Å; W336-I340 HydrophobicContact CD2-CG1 4.02Å; W336-I340 HydrophobicContact CE3-CG1 4.14Å; W336-I340 HydrophobicContact CH2-CD1 4.31Å; W336-I340 HydrophobicContact CH2-CG1 3.79Å; W336-I340 HydrophobicContact CZ2-CD1 3.97Å; W336-I340 HydrophobicContact CZ2-CG1 3.71Å; W336-I340 HydrophobicContact CZ3-CG1 4.01Å; W336-I340 WeakPolarHBondContact O-CG1 3.43Å; W336-I340 PolarHBondContact O-N 2.9Å; F337-I340 PolarHBondContact O-N 3.4Å; W338-I340 VanDerWaalsContact C-N 3.35Å; W338-I340 PolarHBondContact O-N 3.37Å; I340-I342 VanDerWaalsContact C-N 3.32Å; I340-I342 PolarHBondContact O-N 2.88Å; I340-S343 PolarHBondContact O-N 3.44Å; I340-S343 VanDerWaalsContact O-N 3.14Å; I340-L344 HydrophobicContact CG2-CD1 4.24Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 3.31Å
341C95.5Very high95Very high70 Ų7044.1 Ų44.147%0.47322%0.217SC..Hα-helixtrans-57.1-46.1176-71.80000111.5F337 W338 S343 L344 I345F337-C341 WeakPolarHBondContact O-CB 3.37Å; F337-C341 PolarHBondContact O-N 3.11Å; F337-C341 PolarHBondContact O-SG 3.45Å; W338-C341 PolarHBondContact O-N 3.15Å; C341-S343 PolarHBondContact O-N 3.31Å; C341-L344 PolarHBondContact O-N 2.88Å; C341-I345 VanDerWaalsContact O-CG1 3.27Å; C341-I345 WeakPolarHBondContact O-CG1 3.29Å; C341-I345 PolarHBondContact O-N 3.48Å
342I96.1Very high95Very high6 Ų647.6 Ų47.63%0.03123%0.229CC..Hα-helixtrans-60.2-44175.5-67.8-57000111.6I32 N33 F122 W338 I340 L344 I345 N346I32-I342 HydrophobicContact CG2-CD1 3.27Å; N33-I342 WeakPolarHBondContact OD1-CG2 3.19Å; F122-I342 HydrophobicContact CE1-CG2 4.25Å; W338-I342 VanDerWaalsContact O-CG1 3.29Å; W338-I342 WeakPolarHBondContact O-CG1 3.41Å; W338-I342 PolarHBondContact O-N 2.99Å; I340-I342 VanDerWaalsContact C-N 3.32Å; I340-I342 PolarHBondContact O-N 2.88Å; I342-L344 PolarHBondContact O-N 3.42Å; I342-I345 PolarHBondContact O-N 2.96Å; I342-N346 WeakPolarHBondContact CG2-ND2 3.49Å; I342-N346 WeakPolarHBondContact O-CB 3.27Å; I342-N346 PolarHBondContact O-N 2.96Å; I342-N346 PolarHBondContact O-ND2 2.86Å
343S95.6Very high95.1Very high7 Ų747.9 Ų47.95%0.04923%0.23CC..Hα-helixtrans-61.4-42.8178.7-63.20000112S258 L262 L339 I340 C341 N346 I347S258-S343 WeakPolarHBondContact CB-OG 3.31Å; S258-S343 PolarHBondContact OG-OG 2.72Å; L262-S343 WeakPolarHBondContact CD1-OG 3.33Å; L339-S343 WeakPolarHBondContact O-CB 3.3Å; L339-S343 PolarHBondContact O-N 3.44Å; L339-S343 PolarHBondContact O-OG 2.98Å; I340-S343 PolarHBondContact O-N 3.44Å; I340-S343 VanDerWaalsContact O-N 3.14Å; C341-S343 PolarHBondContact O-N 3.31Å; S343-N346 PolarHBondContact O-N 3.36Å; S343-I347 WeakPolarHBondContact O-CD1 3.34Å; S343-I347 VanDerWaalsContact O-CG1 3.25Å; S343-I347 WeakPolarHBondContact O-CG1 3.47Å; S343-I347 PolarHBondContact O-N 3.43Å
344L96.3Very high95.1Very high110 Ų11049.1 Ų49.158%0.57624%0.24SC*.Hα-helixtrans-64.5-44.8176.3-67.1175.1000112I340 C341 I342 N346 I347 H348I340-L344 HydrophobicContact CG2-CD1 4.24Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 3.31Å; C341-L344 PolarHBondContact O-N 2.88Å; I342-L344 PolarHBondContact O-N 3.42Å; L344-N346 VanDerWaalsContact C-N 3.3Å; L344-N346 PolarHBondContact O-N 2.99Å; L344-I347 PolarHBondContact O-N 3.47Å; L344-H348 WeakPolarHBondContact O-CB 3.39Å; L344-H348 PolarHBondContact O-N 2.94Å
345I96.4Very high95Very high63 Ų6347.3 Ų47.332%0.32324%0.239SC..Hα-helixtrans-61.4-40.7176.8-67.8167.3000110.6I29 C341 I342 H348 S349I29-I345 HydrophobicContact CB-CG2 4.32Å; I29-I345 HydrophobicContact CD1-CG2 3.96Å; I29-I345 HydrophobicContact CG1-CG2 3.83Å; I29-I345 HydrophobicContact CG2-CG2 3.66Å; C341-I345 VanDerWaalsContact O-CG1 3.27Å; C341-I345 WeakPolarHBondContact O-CG1 3.29Å; C341-I345 PolarHBondContact O-N 3.48Å; I342-I345 PolarHBondContact O-N 2.96Å; I345-H348 PolarHBondContact O-N 3.47Å; I345-S349 WeakPolarHBondContact O-CB 3.29Å; I345-S349 PolarHBondContact O-N 3.2Å
346N96.4Very high94.8Very high4 Ų450 Ų502%0.02125%0.249CC..Hα-helixtrans-66.5-44.1178-73.7-17.7000112.4N33 V255 S258 I342 S343 L344 S349 F350N33-N346 PolarHBondContact ND2-OD1 3.37Å; N33-N346 PolarHBondContact OD1-ND2 3.25Å; N33-N346 PolarHBondContact OD1-OD1 3.46Å; V255-N346 HydrophobicContact CG2-CB 3.9Å; S258-N346 PolarHBondContact OG-ND2 2.62Å; I342-N346 WeakPolarHBondContact CG2-ND2 3.49Å; I342-N346 WeakPolarHBondContact O-CB 3.27Å; I342-N346 PolarHBondContact O-N 2.96Å; I342-N346 PolarHBondContact O-ND2 2.86Å; S343-N346 PolarHBondContact O-N 3.36Å; L344-N346 VanDerWaalsContact C-N 3.3Å; L344-N346 PolarHBondContact O-N 2.99Å; N346-S349 WeakPolarHBondContact O-CB 3.35Å; N346-S349 PolarHBondContact O-N 2.73Å; N346-F350 WeakPolarHBondContact O-CB 3.49Å; N346-F350 PolarHBondContact O-N 3.4Å
347I96.5Very high94.5Very high69 Ų6949.8 Ų49.835%0.35425%0.249SC..Hα-helixtrans-60.9-47.8176-69.4164.3000110V255 S343 L344 S349 F350 L351V255-I347 HydrophobicContact CG1-CG1 3.85Å; V255-I347 HydrophobicContact CG2-CG1 4.31Å; S343-I347 WeakPolarHBondContact O-CD1 3.34Å; S343-I347 VanDerWaalsContact O-CG1 3.25Å; S343-I347 WeakPolarHBondContact O-CG1 3.47Å; S343-I347 PolarHBondContact O-N 3.43Å; L344-I347 PolarHBondContact O-N 3.47Å; I347-S349 VanDerWaalsContact C-N 3.35Å; I347-S349 PolarHBondContact O-N 3.35Å; I347-F350 PolarHBondContact O-N 2.87Å; I347-L351 HydrophobicContact CG2-CD1 3.87Å; I347-L351 HydrophobicContact CG2-CG 4.34Å; I347-L351 WeakPolarHBondContact O-CB 3.25Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.22Å; I347-L351 PolarHBondContact O-N 3.46Å
348H95.8Very high94.1Very high98 Ų9849.9 Ų49.945%0.45426%0.256SS..Hα-helixtrans-59.9-44.2176.8175.6-117000111.9L344 I345 L351 R352L344-H348 WeakPolarHBondContact O-CB 3.39Å; L344-H348 PolarHBondContact O-N 2.94Å; I345-H348 PolarHBondContact O-N 3.47Å; H348-L351 PolarHBondContact O-N 3.29Å; H348-R352 WeakPolarHBondContact O-CB 3.33Å; H348-R352 PolarHBondContact O-N 3.36Å
349S94.9Very high93.7Very high3 Ų352.3 Ų52.32%0.02127%0.269CS..Hα-helixtrans-58.9-49.8175.8-162.60000111.9I29 K251 I345 N346 I347 R352 W353I29-S349 WeakPolarHBondContact CD1-OG 3.49Å; K251-S349 PolarHBondContact NZ-OG 3.32Å; I345-S349 WeakPolarHBondContact O-CB 3.29Å; I345-S349 PolarHBondContact O-N 3.2Å; N346-S349 WeakPolarHBondContact O-CB 3.35Å; N346-S349 PolarHBondContact O-N 2.73Å; I347-S349 VanDerWaalsContact C-N 3.35Å; I347-S349 PolarHBondContact O-N 3.35Å; S349-R352 PolarHBondContact O-N 2.94Å; S349-W353 WeakPolarHBondContact O-CB 3.28Å; S349-W353 VanDerWaalsContact O-CD1 3.24Å; S349-W353 PolarHBondContact O-N 3.32Å
350F95.9Very high93.4Very high62 Ų6257.3 Ų57.327%0.27229%0.292SS..Hα-helixtrans-60.4-48.4179.6174-106000111.6K251 A252 V255 N346 I347 R352 W353 C354K251-F350 HydrophobicContact CB-CB 4.39Å; K251-F350 HydrophobicContact CB-CD2 3.8Å; A252-F350 HydrophobicContact CB-CD2 4.22Å; A252-F350 HydrophobicContact CB-CE2 3.77Å; A252-F350 HydrophobicContact CB-CZ 4.35Å; V255-F350 HydrophobicContact CG2-CB 3.89Å; V255-F350 HydrophobicContact CG2-CG 4.42Å; N346-F350 WeakPolarHBondContact O-CB 3.49Å; N346-F350 PolarHBondContact O-N 3.4Å; I347-F350 PolarHBondContact O-N 2.87Å; F350-R352 PolarHBondContact O-N 3.29Å; F350-W353 PolarHBondContact O-N 2.93Å; F350-C354 VanDerWaalsContact O-CB 3.23Å; F350-C354 WeakPolarHBondContact O-CB 3.42Å; F350-C354 PolarHBondContact O-N 3.23Å
351L95.3Very high93Very high95 Ų9560.8 Ų60.850%0.49732%0.316SS..Hα-helixtrans-61.7-44.9177.6-69.3175.5000111.5I347 H348 W353 C354 C355I347-L351 HydrophobicContact CG2-CD1 3.87Å; I347-L351 HydrophobicContact CG2-CG 4.34Å; I347-L351 WeakPolarHBondContact O-CB 3.25Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.22Å; I347-L351 PolarHBondContact O-N 3.46Å; H348-L351 PolarHBondContact O-N 3.29Å; L351-W353 PolarHBondContact O-N 3.4Å; L351-C354 PolarHBondContact O-N 3.19Å; L351-C355 WeakPolarHBondContact O-CB 3.44Å; L351-C355 PolarHBondContact O-N 3.49Å; L351-C355 PolarHBondContact O-SG 2.93Å
352R94Very high92.6Very high92 Ų9259.3 Ų59.335%0.34731%0.306SS..Hα-helixtrans-59.7-44.6177.7-172.1-179.9-169.8-179.86.5111.7H348 S349 F350 R356H348-R352 WeakPolarHBondContact O-CB 3.33Å; H348-R352 PolarHBondContact O-N 3.36Å; S349-R352 PolarHBondContact O-N 2.94Å; F350-R352 PolarHBondContact O-N 3.29Å; R352-R356 VanDerWaalsContact CZ-NH2 3.31Å; R352-R356 VanDerWaalsContact NE-NH2 3.16Å; R352-R356 WeakPolarHBondContact O-CB 3.41Å; R352-R356 VanDerWaalsContact O-CG 3.23Å; R352-R356 WeakPolarHBondContact O-CG 3.46Å; R352-R356 PolarHBondContact O-N 3.25Å
353W93.5Very high92.4Very high6 Ų659.6 Ų59.62%0.02331%0.307CS..Hα-helixtrans-70-40.1177.1-84.4104.2000112.7D27 Y247 L248 S349 F350 L351 C355 R356 S357 F449 R452 L456D27-W353 WeakPolarHBondContact OD1-CZ2 3.34Å; D27-W353 VanDerWaalsContact OD2-CZ2 3.23Å; D27-W353 WeakPolarHBondContact OD2-CZ2 3.37Å; D27-W353 PolarHBondContact OD2-NE1 2.92Å; Y247-W353 HydrophobicContact CD1-CD2 4.25Å; Y247-W353 HydrophobicContact CD1-CE3 4.23Å; Y247-W353 AromaticContact CE1-CD2 3.65Å; Y247-W353 HydrophobicContact CE1-CD2 3.65Å; Y247-W353 AromaticContact CE1-CE2 3.58Å; Y247-W353 AromaticContact CE1-CE3 3.97Å; Y247-W353 HydrophobicContact CE1-CE3 3.97Å; Y247-W353 HydrophobicContact CE1-CG 4.07Å; Y247-W353 HydrophobicContact CE1-CH2 4.11Å; Y247-W353 AromaticContact CE1-CZ2 3.81Å; Y247-W353 HydrophobicContact CE1-CZ2 3.81Å; Y247-W353 HydrophobicContact CE1-CZ3 4.2Å; Y247-W353 AromaticContact CE1-NE1 3.95Å; L248-W353 HydrophobicContact CD2-CB 4Å; S349-W353 WeakPolarHBondContact O-CB 3.28Å; S349-W353 VanDerWaalsContact O-CD1 3.24Å; S349-W353 PolarHBondContact O-N 3.32Å; F350-W353 PolarHBondContact O-N 2.93Å; L351-W353 PolarHBondContact O-N 3.4Å; W353-C355 PolarHBondContact O-N 2.85Å; W353-R356 PolarHBondContact O-N 3.46Å; W353-S357 WeakPolarHBondContact O-CB 3.49Å; W353-S357 PolarHBondContact O-N 2.97Å; W353-F449 HydrophobicContact CE3-CD2 4.44Å; W353-F449 HydrophobicContact CE3-CE2 4.32Å; W353-F449 HydrophobicContact CH2-CD2 4.32Å; W353-F449 AromaticContact CH2-CE2 3.98Å; W353-F449 HydrophobicContact CH2-CE2 3.98Å; W353-F449 AromaticContact CZ3-CD2 3.69Å; W353-F449 HydrophobicContact CZ3-CD2 3.69Å; W353-F449 AromaticContact CZ3-CE2 3.65Å; W353-F449 HydrophobicContact CZ3-CE2 3.65Å; W353-R452 HydrophobicContact CH2-CB 4.45Å; W353-L456 HydrophobicContact CH2-CD1 3.74Å; W353-L456 HydrophobicContact CZ2-CD1 3.39Å
354C93.3Very high92.1Very high40 Ų4059.8 Ų59.827%0.2731%0.307SS..Hα-helixtrans-57.5-50.6174.1-171.60000110.4F350 L351 S357 T358F350-C354 VanDerWaalsContact O-CB 3.23Å; F350-C354 WeakPolarHBondContact O-CB 3.42Å; F350-C354 PolarHBondContact O-N 3.23Å; L351-C354 PolarHBondContact O-N 3.19Å; C354-S357 PolarHBondContact O-N 3.45Å; C354-T358 WeakPolarHBondContact O-CB 3.25Å; C354-T358 VanDerWaalsContact O-CG2 3.26Å; C354-T358 WeakPolarHBondContact O-CG2 3.45Å; C354-T358 PolarHBondContact O-N 2.84Å; C354-T358 PolarHBondContact O-OG1 3.12Å
355C92.1Very high91.7Very high60 Ų6057.6 Ų57.641%0.40530%0.301SS..Hα-helixtrans-60.5-48.7175.8-68.60000112.2L351 W353 S357 F359L351-C355 WeakPolarHBondContact O-CB 3.44Å; L351-C355 PolarHBondContact O-N 3.49Å; L351-C355 PolarHBondContact O-SG 2.93Å; W353-C355 PolarHBondContact O-N 2.85Å; C355-S357 PolarHBondContact O-N 3.49Å; C355-F359 HydrophobicContact CB-CD2 4.01Å; C355-F359 HydrophobicContact CB-CE2 4.01Å; C355-F359 WeakPolarHBondContact O-CB 3.39Å; C355-F359 WeakPolarHBondContact O-CD2 3.28Å; C355-F359 PolarHBondContact O-N 3.32Å
356R90Very high91.5Very high57 Ų5756.1 Ų56.122%0.21529%0.292CS..Hα-helixtrans-61.7-30.4179.6-77.5174.3168.6-177.4-7.5113.7R352 W353 R452R352-R356 VanDerWaalsContact CZ-NH2 3.31Å; R352-R356 VanDerWaalsContact NE-NH2 3.16Å; R352-R356 WeakPolarHBondContact O-CB 3.41Å; R352-R356 VanDerWaalsContact O-CG 3.23Å; R352-R356 WeakPolarHBondContact O-CG 3.46Å; R352-R356 PolarHBondContact O-N 3.25Å; W353-R356 PolarHBondContact O-N 3.46Å; R356-R452 PolarHBondContact O-NH2 2.93Å; R356-R452 VanDerWaalsContact O-NH2 3.1Å
357S88.1Confident91.2Very high8 Ų856 Ų566%0.05629%0.291CS..Hα-helixtrans-87.8-46.8-175.4-175.70000112.6N244 W353 C354 C355 R363N244-S357 PolarHBondContact ND2-OG 3.03Å; N244-S357 WeakPolarHBondContact OD1-CB 3.43Å; N244-S357 PolarHBondContact OD1-OG 3.46Å; W353-S357 WeakPolarHBondContact O-CB 3.49Å; W353-S357 PolarHBondContact O-N 2.97Å; C354-S357 PolarHBondContact O-N 3.45Å; C355-S357 PolarHBondContact O-N 3.49Å; S357-R363 PolarHBondContact O-NH1 2.96Å
358T85.3Confident90.9Very high79 Ų7956.1 Ų56.149%0.48529%0.287SS..Hα-helixtrans-73.4-43.9-175.655.10000112.2C354 Q360C354-T358 WeakPolarHBondContact O-CB 3.25Å; C354-T358 VanDerWaalsContact O-CG2 3.26Å; C354-T358 WeakPolarHBondContact O-CG2 3.45Å; C354-T358 PolarHBondContact O-N 2.84Å; C354-T358 PolarHBondContact O-OG1 3.12Å; T358-Q360 PolarHBondContact O-N 3.29Å
359F88.2Confident90.5Very high125 Ų12553.5 Ų53.555%0.54828%0.28SS..  trans-75.7112.1-176.5-65.9-61.5000112C355 T361 S362 R363C355-F359 HydrophobicContact CB-CD2 4.01Å; C355-F359 HydrophobicContact CB-CE2 4.01Å; C355-F359 WeakPolarHBondContact O-CB 3.39Å; C355-F359 WeakPolarHBondContact O-CD2 3.28Å; C355-F359 PolarHBondContact O-N 3.32Å; F359-T361 PolarHBondContact O-N 3.41Å; F359-S362 WeakPolarHBondContact O-CB 3.39Å; F359-S362 PolarHBondContact O-N 3.43Å; F359-R363 PolarHBondContact O-N 2.77Å
360Q86.6Confident90.2Very high106 Ų10653.4 Ų53.450%0.49528%0.28SS..Hα-helixtrans-55.3-39.5173.5177.4169.6-3.800112T358 S362 R363 V364 E440T358-Q360 PolarHBondContact O-N 3.29Å; Q360-S362 VanDerWaalsContact C-N 3.3Å; Q360-S362 PolarHBondContact O-N 2.99Å; Q360-R363 PolarHBondContact O-N 2.9Å; Q360-R363 VanDerWaalsContact O-N 3.17Å; Q360-V364 HydrophobicContact CG-CG2 4.28Å; Q360-V364 WeakPolarHBondContact O-CG2 3.37Å; Q360-V364 PolarHBondContact O-N 3.33Å; Q360-E440 HydrophobicContact CG-CG 4.21Å; Q360-E440 WeakPolarHBondContact CG-OE1 3.24Å
361T87Confident89.7Confident117 Ų11751 Ų5172%0.71827%0.269SS*.Hα-helixtrans-58.5-41.4176.7-500000111.8F359 V364 C365F359-T361 PolarHBondContact O-N 3.41Å; T361-V364 PolarHBondContact O-N 3.14Å; T361-C365 WeakPolarHBondContact O-CB 3.37Å; T361-C365 PolarHBondContact O-N 3.46Å
362S87.8Confident89.1Confident38 Ų3848.5 Ų48.527%0.26625%0.254SS..Hα-helixtrans-64.7-42177.3-175.10000111.5F359 Q360 F366 R452F359-S362 WeakPolarHBondContact O-CB 3.39Å; F359-S362 PolarHBondContact O-N 3.43Å; Q360-S362 VanDerWaalsContact C-N 3.3Å; Q360-S362 PolarHBondContact O-N 2.99Å; S362-F366 VanDerWaalsContact O-CB 3.3Å; S362-F366 WeakPolarHBondContact O-CB 3.4Å; S362-F366 PolarHBondContact O-N 3.4Å; S362-R452 VanDerWaalsContact C-NH2 3.27Å; S362-R452 PolarHBondContact O-NH2 3.32Å; S362-R452 VanDerWaalsContact O-NH2 3.12Å; S362-R452 PolarHBondContact OG-NH2 3.41Å; S362-R452 VanDerWaalsContact OG-NH2 3.13Å
363R90.8Very high87.9Confident13 Ų1348.4 Ų48.45%0.04926%0.261CS..Hα-helixtrans-62.5-49.2177.7-62.6-166.3-60.5-105.53111.5S357 F359 Q360 F366 I367 T439 E440 V448S357-R363 PolarHBondContact O-NH1 2.96Å; F359-R363 PolarHBondContact O-N 2.77Å; Q360-R363 PolarHBondContact O-N 2.9Å; Q360-R363 VanDerWaalsContact O-N 3.17Å; R363-F366 PolarHBondContact O-N 3Å; R363-I367 WeakPolarHBondContact O-CG1 3.24Å; R363-I367 PolarHBondContact O-N 3.02Å; R363-I367 VanDerWaalsContact O-N 3.09Å; R363-T439 HydrophobicContact CB-CG2 4.1Å; R363-E440 IonicContact CZ-OE1 2.85Å; R363-E440 IonicContact CZ-OE2 2.72Å; R363-E440 IonicContact NE-OE1 3.15Å; R363-E440 PolarHBondContact NE-OE1 3.5Å; R363-E440 IonicContact NE-OE2 3.81Å; R363-E440 VanDerWaalsContact NH2-CD 3.25Å; R363-E440 IonicContact NH2-OE1 3.9Å; R363-E440 PolarHBondContact NH2-OE1 2.81Å; R363-E440 IonicContact NH2-OE2 2.88Å; R363-E440 PolarHBondContact NH2-OE2 2.72Å; R363-V448 HydrophobicContact CB-CG1 4.12Å; R363-V448 HydrophobicContact CG-CG1 4.13Å
364V89.2Confident86.3Confident10 Ų1054.3 Ų54.36%0.06129%0.287CS..Hα-helixtrans-66.3-41.3-179.7176.50000111.1Q360 T361 I367 R368 A436 T439Q360-V364 HydrophobicContact CG-CG2 4.28Å; Q360-V364 WeakPolarHBondContact O-CG2 3.37Å; Q360-V364 PolarHBondContact O-N 3.33Å; T361-V364 PolarHBondContact O-N 3.14Å; V364-I367 PolarHBondContact O-N 3.48Å; V364-R368 HydrophobicContact CG1-CG 4.35Å; V364-R368 VanDerWaalsContact CG1-CZ 3.45Å; V364-R368 WeakPolarHBondContact O-CB 3.46Å; V364-R368 VanDerWaalsContact O-CG 3.26Å; V364-R368 WeakPolarHBondContact O-CG 3.45Å; V364-R368 PolarHBondContact O-N 3.17Å; V364-A436 HydrophobicContact CG1-CB 4.22Å; V364-A436 HydrophobicContact CG2-CB 4.44Å; V364-T439 HydrophobicContact CG2-CG2 4.04Å
365C89.3Confident84.5Confident65 Ų6556.6 Ų56.644%0.43930%0.296SS..Hα-helixtrans-62.3-44.4176.6-171.50000111.5T361 I367 R368 S369T361-C365 WeakPolarHBondContact O-CB 3.37Å; T361-C365 PolarHBondContact O-N 3.46Å; C365-I367 PolarHBondContact O-N 3.01Å; C365-R368 PolarHBondContact O-N 3.46Å; C365-S369 WeakPolarHBondContact O-CB 3.44Å; C365-S369 PolarHBondContact O-N 3.32Å
366F91.1Very high82.5Confident32 Ų3257 Ų5714%0.1430%0.299CS..Hα-helixtrans-59-48.8176.3173.8-104.8000112.4S362 R363 R368 S369 L370 V448 L451 R452 A455S362-F366 VanDerWaalsContact O-CB 3.3Å; S362-F366 WeakPolarHBondContact O-CB 3.4Å; S362-F366 PolarHBondContact O-N 3.4Å; R363-F366 PolarHBondContact O-N 3Å; F366-R368 PolarHBondContact O-N 3.08Å; F366-S369 WeakPolarHBondContact O-CB 3.12Å; F366-S369 PolarHBondContact O-N 2.86Å; F366-L370 HydrophobicContact CD1-CD1 4.26Å; F366-L370 HydrophobicContact CE1-CD1 3.52Å; F366-L370 HydrophobicContact CE1-CG 4.24Å; F366-L370 HydrophobicContact CE2-CD1 4.33Å; F366-L370 HydrophobicContact CE2-CD2 4.45Å; F366-L370 HydrophobicContact CE2-CG 4.3Å; F366-L370 HydrophobicContact CZ-CD1 3.57Å; F366-L370 HydrophobicContact CZ-CD2 4.33Å; F366-L370 HydrophobicContact CZ-CG 4.03Å; F366-L370 PolarHBondContact O-N 3.29Å; F366-V448 HydrophobicContact CD1-CG1 4.33Å; F366-L451 HydrophobicContact CE1-CB 4.25Å; F366-R452 HydrophobicContact CD1-CG 3.61Å; F366-R452 HydrophobicContact CD2-CG 4.33Å; F366-R452 HydrophobicContact CE1-CB 4.21Å; F366-R452 HydrophobicContact CE1-CG 3.3Å; F366-R452 HydrophobicContact CE2-CG 4.08Å; F366-R452 HydrophobicContact CG-CG 4.12Å; F366-R452 HydrophobicContact CZ-CB 4.18Å; F366-R452 HydrophobicContact CZ-CG 3.56Å; F366-A455 HydrophobicContact CE2-CB 4.26Å; F366-A455 HydrophobicContact CZ-CB 3.96Å
367I90.9Very high80.6Confident0 Ų061.1 Ų61.10%032%0.322CS..Hα-helixtrans-65.5-39.3178.2-63.2-56.9000111.5R363 V364 C365 S369 L370 L371 F438 T439 L443 V448 L451R363-I367 WeakPolarHBondContact O-CG1 3.24Å; R363-I367 PolarHBondContact O-N 3.02Å; R363-I367 VanDerWaalsContact O-N 3.09Å; V364-I367 PolarHBondContact O-N 3.48Å; C365-I367 PolarHBondContact O-N 3.01Å; I367-S369 VanDerWaalsContact C-N 3.31Å; I367-S369 PolarHBondContact O-N 3.3Å; I367-L370 HydrophobicContact CD1-CD1 4.31Å; I367-L370 PolarHBondContact O-N 2.96Å; I367-L371 HydrophobicContact CG2-CD1 3.81Å; I367-L371 HydrophobicContact CG2-CG 4.23Å; I367-L371 WeakPolarHBondContact O-CG 3.36Å; I367-L371 PolarHBondContact O-N 2.91Å; I367-F438 HydrophobicContact CG2-CD1 4.17Å; I367-F438 HydrophobicContact CG2-CE1 4.18Å; I367-T439 HydrophobicContact CB-CG2 4.43Å; I367-T439 HydrophobicContact CG1-CG2 3.85Å; I367-L443 HydrophobicContact CD1-CD2 3.65Å; I367-L443 HydrophobicContact CG1-CD2 4.2Å; I367-V448 HydrophobicContact CD1-CG2 4.22Å; I367-V448 HydrophobicContact CG1-CG2 4.07Å; I367-L451 HydrophobicContact CD1-CD1 3.85Å
368R89.8Confident78.6Confident72 Ų7265.8 Ų65.827%0.27235%0.347SS..Hα-helixtrans-61.1-41.2173.9-76178179.1158.81.8111.8V364 C365 F366 L371 F372 K432 S435V364-R368 HydrophobicContact CG1-CG 4.35Å; V364-R368 VanDerWaalsContact CG1-CZ 3.45Å; V364-R368 WeakPolarHBondContact O-CB 3.46Å; V364-R368 VanDerWaalsContact O-CG 3.26Å; V364-R368 WeakPolarHBondContact O-CG 3.45Å; V364-R368 PolarHBondContact O-N 3.17Å; C365-R368 PolarHBondContact O-N 3.46Å; F366-R368 PolarHBondContact O-N 3.08Å; R368-L371 PolarHBondContact O-N 3.25Å; R368-F372 HydrophobicContact CB-CD2 4.07Å; R368-F372 HydrophobicContact CB-CE2 4.42Å; R368-F372 HydrophobicContact CG-CD2 4.29Å; R368-F372 HydrophobicContact CG-CE2 4.15Å; R368-F372 WeakPolarHBondContact O-CB 3.28Å; R368-F372 VanDerWaalsContact O-CD2 3.24Å; R368-F372 WeakPolarHBondContact O-CD2 3.41Å; R368-F372 PolarHBondContact O-N 3.32Å; R368-K432 PolarHBondContact NH2-O 3.1Å; R368-S435 PolarHBondContact NE-OG 3.31Å; R368-S435 VanDerWaalsContact NE-OG 3.1Å
369S88Confident76.9Confident44 Ų4465.6 Ų65.631%0.30834%0.342SS..Hα-helixtrans-60.6-44.7173.6-179.80000111C365 F366 I367 L371 N373 Q460C365-S369 WeakPolarHBondContact O-CB 3.44Å; C365-S369 PolarHBondContact O-N 3.32Å; F366-S369 WeakPolarHBondContact O-CB 3.12Å; F366-S369 PolarHBondContact O-N 2.86Å; I367-S369 VanDerWaalsContact C-N 3.31Å; I367-S369 PolarHBondContact O-N 3.3Å; S369-L371 PolarHBondContact O-N 3.45Å; S369-N373 WeakPolarHBondContact O-CB 3.38Å; S369-N373 PolarHBondContact O-N 3.46Å; S369-Q460 PolarHBondContact OG-NE2 3.35Å
370L87.9Confident74.9Confident1 Ų164.7 Ų64.71%0.00534%0.343CS..Hα-helixtrans-62.7-39.5176.9-70.1-176.8000113.7F366 I367 L451 Q460 A463 S464 A467F366-L370 HydrophobicContact CD1-CD1 4.26Å; F366-L370 HydrophobicContact CE1-CD1 3.52Å; F366-L370 HydrophobicContact CE1-CG 4.24Å; F366-L370 HydrophobicContact CE2-CD1 4.33Å; F366-L370 HydrophobicContact CE2-CD2 4.45Å; F366-L370 HydrophobicContact CE2-CG 4.3Å; F366-L370 HydrophobicContact CZ-CD1 3.57Å; F366-L370 HydrophobicContact CZ-CD2 4.33Å; F366-L370 HydrophobicContact CZ-CG 4.03Å; F366-L370 PolarHBondContact O-N 3.29Å; I367-L370 HydrophobicContact CD1-CD1 4.31Å; I367-L370 PolarHBondContact O-N 2.96Å; L370-L451 HydrophobicContact CD1-CB 4.46Å; L370-Q460 HydrophobicContact CD2-CG 3.59Å; L370-A463 HydrophobicContact CD1-CB 4.29Å; L370-A463 HydrophobicContact CD2-CB 4.14Å; L370-S464 WeakPolarHBondContact O-CB 3.49Å; L370-S464 PolarHBondContact O-OG 3.36Å; L370-A467 HydrophobicContact CB-CB 4.17Å; L370-A467 HydrophobicContact CD1-CB 4.19Å
371L86.4Confident73.1Confident10 Ų1064.9 Ų64.95%0.05235%0.347CS..Hα-helixtrans-79.6-42.6-175.8-67.4174.3000113I367 R368 S369 A467 W471I367-L371 HydrophobicContact CG2-CD1 3.81Å; I367-L371 HydrophobicContact CG2-CG 4.23Å; I367-L371 WeakPolarHBondContact O-CG 3.36Å; I367-L371 PolarHBondContact O-N 2.91Å; R368-L371 PolarHBondContact O-N 3.25Å; S369-L371 PolarHBondContact O-N 3.45Å; L371-A467 HydrophobicContact CD2-CB 4.18Å; L371-W471 HydrophobicContact CD1-CD2 3.9Å; L371-W471 HydrophobicContact CD1-CE3 3.86Å; L371-W471 HydrophobicContact CD1-CG 4.22Å; L371-W471 HydrophobicContact CD1-CZ3 4.36Å; L371-W471 HydrophobicContact CD2-CB 3.66Å; L371-W471 HydrophobicContact CD2-CD2 4.44Å; L371-W471 HydrophobicContact CD2-CG 3.89Å
372F81Confident71.1Confident43 Ų4363.8 Ų63.819%0.18934%0.337CS..Hα-helixtrans-100.6-15.1-167.5-60.2-62.2000114.3R368 K374 I375 L427 D431R368-F372 HydrophobicContact CB-CD2 4.07Å; R368-F372 HydrophobicContact CB-CE2 4.42Å; R368-F372 HydrophobicContact CG-CD2 4.29Å; R368-F372 HydrophobicContact CG-CE2 4.15Å; R368-F372 WeakPolarHBondContact O-CB 3.28Å; R368-F372 VanDerWaalsContact O-CD2 3.24Å; R368-F372 WeakPolarHBondContact O-CD2 3.41Å; R368-F372 PolarHBondContact O-N 3.32Å; F372-K374 PolarHBondContact O-N 3Å; F372-I375 HydrophobicContact CD1-CD1 3.76Å; F372-I375 HydrophobicContact CE1-CD1 4.35Å; F372-I375 PolarHBondContact O-N 3.36Å; F372-L427 HydrophobicContact CD1-CD1 3.63Å; F372-L427 HydrophobicContact CD1-CD2 4.43Å; F372-L427 HydrophobicContact CD2-CD1 4.37Å; F372-L427 HydrophobicContact CD2-CD2 3.67Å; F372-L427 HydrophobicContact CE1-CD1 3.25Å; F372-L427 HydrophobicContact CE1-CD2 4.16Å; F372-L427 HydrophobicContact CE1-CG 4.35Å; F372-L427 HydrophobicContact CE2-CD1 4.06Å; F372-L427 HydrophobicContact CE2-CD2 3.34Å; F372-L427 HydrophobicContact CE2-CG 4.35Å; F372-L427 HydrophobicContact CG-CD1 4.19Å; F372-L427 HydrophobicContact CG-CD2 4.22Å; F372-L427 HydrophobicContact CZ-CD1 3.49Å; F372-L427 VanDerWaalsContact CZ-CD1 3.49Å; F372-L427 HydrophobicContact CZ-CD2 3.62Å; F372-L427 HydrophobicContact CZ-CG 4.18Å; F372-D431 HydrophobicContact CZ-CB 4.47Å
373N70.4Confident69.1Low91 Ų9166.7 Ų66.749%0.48735%0.349SS..Hα-helixtrans-63.6-26.3176.6-159.812.7000111.9S369 I375S369-N373 WeakPolarHBondContact O-CB 3.38Å; S369-N373 PolarHBondContact O-N 3.46Å; N373-I375 PolarHBondContact O-N 2.97Å
374K58.6Low66.9Low129 Ų12973.9 Ų73.956%0.56138%0.381SS*.Hα-helixtrans-70.8-26.7174.3-165.3177.1179.5-173.90113.7F372F372-K374 PolarHBondContact O-N 3Å
375I56.3Low64.7Low89 Ų8977 Ų7746%0.45640%0.403SS..Hα-helixtrans-72.5-34.4-178.5-60.1-173.9000110.7F372 N373 M377 N378 I379F372-I375 HydrophobicContact CD1-CD1 3.76Å; F372-I375 HydrophobicContact CE1-CD1 4.35Å; F372-I375 PolarHBondContact O-N 3.36Å; N373-I375 PolarHBondContact O-N 2.97Å; I375-M377 PolarHBondContact O-N 3.15Å; I375-N378 PolarHBondContact O-N 3.41Å; I375-I379 HydrophobicContact CG2-CD1 3.67Å; I375-I379 HydrophobicContact CG2-CG1 4.36Å; I375-I379 WeakPolarHBondContact O-CG1 3.18Å; I375-I379 PolarHBondContact O-N 2.88Å
376S49.8Very low62.4Low68 Ų6879.8 Ų79.848%0.47641%0.414SS..Hα-helixtrans-63.9-37.8-179.8165.50000113.5N380S376-N380 PolarHBondContact O-N 2.89Å
377M49.7Very low59.8Low143 Ų14387.9 Ų87.970%0.70445%0.445SS*.Hα-helixtrans-75.8-31.7-179.9-72.5-154.3172.100113.4I375 N381I375-M377 PolarHBondContact O-N 3.15Å; M377-N381 PolarHBondContact O-N 3.28Å
378N45.7Very low57.2Low107 Ų10793.3 Ų93.357%0.57248%0.483SS*.Hα-helixtrans-77.3-29.3-178.7-141.419.4000112.5I375 N382I375-N378 PolarHBondContact O-N 3.41Å; N378-N382 PolarHBondContact O-N 2.99Å
379I50.9Low54.7Low75 Ų7595.3 Ų95.339%0.38551%0.508SS..Hα-helixtrans-71.7-38.8175.4-66.6173000111.2I375 N381 N382 N383I375-I379 HydrophobicContact CG2-CD1 3.67Å; I375-I379 HydrophobicContact CG2-CG1 4.36Å; I375-I379 WeakPolarHBondContact O-CG1 3.18Å; I375-I379 PolarHBondContact O-N 2.88Å; I379-N381 PolarHBondContact O-N 3.06Å; I379-N382 PolarHBondContact O-N 2.7Å; I379-N383 PolarHBondContact O-N 2.92Å
380N46.3Very low52.1Low105 Ų10599.9 Ų99.956%0.56153%0.529SS*.Hα-helixtrans-70.4-29.9178.9-87.8-3.8000113.6S376 K384S376-N380 PolarHBondContact O-N 2.89Å; N380-K384 VanDerWaalsContact O-CB 3.24Å; N380-K384 WeakPolarHBondContact O-CB 3.35Å; N380-K384 PolarHBondContact O-N 3.43Å
381N47.9Very low49.8Very low110 Ų110107.3 Ų107.359%0.58857%0.569SS**Hα-helixtrans-72.3-35.2174.4-80.1-8.4000112.4M377 I379 K384 S385M377-N381 PolarHBondContact O-N 3.28Å; I379-N381 PolarHBondContact O-N 3.06Å; N381-K384 PolarHBondContact O-N 3.2Å; N381-S385 PolarHBondContact O-N 3.17Å; N381-S385 PolarHBondContact O-OG 3.33Å
382N45.5Very low47.3Very low94 Ų94112.5 Ų112.550%0.50360%0.601SS.*Hα-helixtrans-74.9-31.3176.5-67.8-6.3000112.6N378 I379 K384 S385N378-N382 PolarHBondContact O-N 2.99Å; I379-N382 PolarHBondContact O-N 2.7Å; N382-K384 VanDerWaalsContact C-N 3.31Å; N382-S385 PolarHBondContact O-OG 3.38Å
383N45.2Very low45.1Very low99 Ų99117.2 Ų117.253%0.52963%0.628SS.*Hα-helixtrans-78.7-16.3174.7-68.6-12.3000113.2I379I379-N383 PolarHBondContact O-N 2.92Å
384K44.7Very low43.5Very low165 Ų165118.1 Ų118.172%0.71764%0.642SS**Hα-helixtrans-93.8-18.9178.2-156.5171.1-173.1177.80112.8N380 N381 N382 D386N380-K384 VanDerWaalsContact O-CB 3.24Å; N380-K384 WeakPolarHBondContact O-CB 3.35Å; N380-K384 PolarHBondContact O-N 3.43Å; N381-K384 PolarHBondContact O-N 3.2Å; N382-K384 VanDerWaalsContact C-N 3.31Å; K384-D386 VanDerWaalsContact C-N 3.35Å
385S42.5Very low42.3Very low74 Ų74119.1 Ų119.152%0.51765%0.653SS.*Hα-helixtrans-75.7-21.617053.90000113.5N381 N382N381-S385 PolarHBondContact O-N 3.17Å; N381-S385 PolarHBondContact O-OG 3.33Å; N382-S385 PolarHBondContact O-OG 3.38Å
386D41.9Very low41.1Very low125 Ų125121.9 Ų121.967%0.66867%0.668SS**SBendtrans-97.91.2-170.2-66-1000113.9K384K384-D386 VanDerWaalsContact C-N 3.35Å
387Y36.7Very low40Very low202 Ų202124.1 Ų124.179%0.79268%0.679SS**SBendtrans-117.59.9-178.9-104.4-84.2000115.7
388S35.3Very low39.2Very low114 Ų114125.4 Ų125.480%0.79768%0.683SS**SBendtrans-111.124.9176.4-80.70000114.6
389S38Very low38.4Very low113 Ų113127.5 Ų127.579%0.7969%0.694SS**  trans-123.860.3172.2-156.10000110.9
390N33.6Very low37.4Very low141 Ų141129.2 Ų129.275%0.75471%0.713SS**  trans-129.2143.6163.1-89.1-18.8000109.1
391N38.6Very low36.4Very low157 Ų157131 Ų13184%0.8472%0.722SS**  trans95.175.2172.1-60.6-10.4000117.1
392T34.8Very low35.4Very low118 Ų118136.4 Ų136.472%0.72474%0.736SS**  trans-45.1136.9135.542.40000112.6
393N35.3Very low34.4Very low142 Ų142140.1 Ų140.176%0.75975%0.751SS**  trans7699.2152.6-52.1-18.5000117.6
394S36.7Very low33.4Very low111 Ų111140 Ų14078%0.77676%0.757SS**  160.9112.5108.549.10000111.5
395N33.9Very low32.3Very low149 Ų149138.4 Ų138.480%0.79776%0.761SS**  trans50.9138.1132.7-67.1-5.8000122.8
396L29.3Very low31.5Very low148 Ų148139.9 Ų139.978%0.77577%0.772SS**  trans80.298.1163.8-83.883.1000116.5
397T28.5Very low30.6Very low114 Ų114142.4 Ų142.470%0.69978%0.78SS**  80.1135.57558.10000115.4
398Q32Very low30Very low170 Ų170141.6 Ų141.679%0.79478%0.783SS**  trans88.498.9164.7-62.6177.4-2.900115.1
399N28.2Very low29.4Very low151 Ų151141.5 Ų141.581%0.80778%0.782SS**  73.2113.284.5-77.8-1.5000112.2
400S29.8Very low28.7Very low112 Ų112141.9 Ų141.978%0.78378%0.78SS**  165.8121.8111.841.20000111.3
401D25.7Very low28.2Very low141 Ų141142 Ų14275%0.75479%0.786SS**  trans-4.4138.3144.1-49-52.2000117
402Y26.5Very low27.7Very low225 Ų225140.4 Ų140.488%0.88278%0.776SS**  -172.3149.3107.8-114.1-91000113.3
403Q24.9Very low27.3Very low172 Ų172140.6 Ų140.680%0.80478%0.779SS**  trans-91.8166.9-168.5-148.2167-0.100111
404S25.4Very low26.8Very low95 Ų95141.2 Ų141.266%0.66478%0.782SS**  trans112.3109.5143-40.20000119.7
405T21.7Very low26.5Very low132 Ų132139.1 Ų139.181%0.8177%0.771SS**  55.7115.5116.5-28.50000121.1
406S24.7Very low26.4Very low106 Ų106140.6 Ų140.674%0.74177%0.773SS**  trans166.3114.1134.536.20000109.8
407Q23.6Very low26.4Very low177 Ų177138.1 Ų138.183%0.82777%0.768SS**  48.7107.2100.7-69.3-177.9-4.200114.8
408Q23.8Very low26.5Very low186 Ų186141.2 Ų141.287%0.86978%0.78SS**  176.9136.8114.9-103.2169-7.100114
409S21.7Very low26.3Very low111 Ų111138.6 Ų138.678%0.77678%0.78SS**  trans-35.8137.5161.8-48.30000114.8
410T24.1Very low26.4Very low122 Ų122136.3 Ų136.375%0.74878%0.776SS**  trans-159.1103.4139.418.60000109.1I412T410-I412 PolarHBondContact O-N 2.9Å
411T23.6Very low26.6Very low144 Ų144137.9 Ų137.988%0.88377%0.771SS**  trans-60.3110.6162.345.90000109
412I27Very low26.9Very low123 Ų123136.8 Ų136.863%0.63177%0.773SS**  trans-120.2116.6171-58.6175.7000107.4T410 L414T410-I412 PolarHBondContact O-N 2.9Å; I412-L414 HydrophobicContact CG2-CD1 4.23Å; I412-L414 PolarHBondContact O-N 3.21Å
413P26.2Very low27.1Very low121 Ų121133.4 Ų133.479%0.78676%0.76SS**  trans-77.193.1176.331.1-29000108.4A415P413-A415 PolarHBondContact O-N 3.47Å
414L25.9Very low27.8Very low156 Ų156132.3 Ų132.382%0.81776%0.76SS**  trans-79.364.4177.1-141.792.8000110.3I412I412-L414 HydrophobicContact CG2-CD1 4.23Å; I412-L414 PolarHBondContact O-N 3.21Å
415A30.3Very low28.8Very low66 Ų66136.1 Ų136.155%0.54577%0.767SS.*  trans-126.835.6-178.800000112.5P413P413-A415 PolarHBondContact O-N 3.47Å
416E31.1Very low30.3Very low180 Ų180138.6 Ų138.684%0.84177%0.769SS**SBendtrans-155.966.7-179.2-139.4150.9-14400112.3
417S29.5Very low32.1Very low96 Ų96135.5 Ų135.567%0.67174%0.744SS**  trans-157.224168.961.40000114.8
418L30.1Very low34.1Very low180 Ų180130 Ų13094%0.94273%0.725SS**  trans-115.153.8178.8-85.7147.3000111.5
419S28Very low36.6Very low114 Ų114126.8 Ų126.880%0.79771%0.713SS**SBendtrans-136.353.8166.563.20000110.2
420S30.6Very low39.3Very low104 Ų104127 Ų12773%0.72771%0.705SS**SBendtrans-166.7136.2152.6-140.70000107.5
421E34.5Very low42Very low144 Ų144123.1 Ų123.167%0.67368%0.68SS**  trans76.894.4167.7-64-173.5167.400118.9Y423E421-Y423 HydrophobicContact CB-CD2 3.46Å; E421-Y423 VanDerWaalsContact CB-CD2 3.46Å; E421-Y423 HydrophobicContact CB-CE2 3.94Å; E421-Y423 HydrophobicContact CB-CG 4.41Å; E421-Y423 VanDerWaalsContact CD-CD2 3.47Å; E421-Y423 HydrophobicContact CG-CD2 3.63Å; E421-Y423 HydrophobicContact CG-CE2 3.56Å; E421-Y423 PolarHBondContact O-N 3.49Å; E421-Y423 WeakPolarHBondContact OE1-CE2 3.24Å; E421-Y423 WeakPolarHBondContact OE2-CD2 3.47Å
422C31.1Very low44.9Very low119 Ų119120.6 Ų120.680%0.80466%0.657SS**  trans-72.565.4157.2179.80000109.9
423Y31.3Very low47.6Very low154 Ų154121.8 Ų121.860%0.60466%0.657SS**  trans-103116.4172.7-77.5-61.6000111.1E421E421-Y423 HydrophobicContact CB-CD2 3.46Å; E421-Y423 VanDerWaalsContact CB-CD2 3.46Å; E421-Y423 HydrophobicContact CB-CE2 3.94Å; E421-Y423 HydrophobicContact CB-CG 4.41Å; E421-Y423 VanDerWaalsContact CD-CD2 3.47Å; E421-Y423 HydrophobicContact CG-CD2 3.63Å; E421-Y423 HydrophobicContact CG-CE2 3.56Å; E421-Y423 PolarHBondContact O-N 3.49Å; E421-Y423 WeakPolarHBondContact OE1-CE2 3.24Å; E421-Y423 WeakPolarHBondContact OE2-CD2 3.47Å
424N39.6Very low50.4Low148 Ų148117.2 Ų117.279%0.79163%0.63SS**  -172.2143.1110.2-87.2-23.9000111.8Q426N424-Q426 PolarHBondContact O-N 3.05Å
425E46.5Very low53.3Low176 Ų176109.8 Ų109.882%0.82259%0.591SS**THydrogen-bonded Turntrans-103.241.5-142.2-161.6174.7171.200112.7
426Q52.6Low56Low184 Ų184108 Ų10886%0.8658%0.576SS**THydrogen-bonded Turntrans-134.47.3-179.4-81-178.1-22.300115N424N424-Q426 PolarHBondContact O-N 3.05Å
427L62.1Low58.6Low41 Ų41102.3 Ų102.322%0.21555%0.549CS..SBendtrans-87.6118.2177.9-16967.2000112F372 D431 K432F372-L427 HydrophobicContact CD1-CD1 3.63Å; F372-L427 HydrophobicContact CD1-CD2 4.43Å; F372-L427 HydrophobicContact CD2-CD1 4.37Å; F372-L427 HydrophobicContact CD2-CD2 3.67Å; F372-L427 HydrophobicContact CE1-CD1 3.25Å; F372-L427 HydrophobicContact CE1-CD2 4.16Å; F372-L427 HydrophobicContact CE1-CG 4.35Å; F372-L427 HydrophobicContact CE2-CD1 4.06Å; F372-L427 HydrophobicContact CE2-CD2 3.34Å; F372-L427 HydrophobicContact CE2-CG 4.35Å; F372-L427 HydrophobicContact CG-CD1 4.19Å; F372-L427 HydrophobicContact CG-CD2 4.22Å; F372-L427 HydrophobicContact CZ-CD1 3.49Å; F372-L427 VanDerWaalsContact CZ-CD1 3.49Å; F372-L427 HydrophobicContact CZ-CD2 3.62Å; F372-L427 HydrophobicContact CZ-CG 4.18Å; L427-D431 HydrophobicContact CD1-CB 3.72Å; L427-D431 HydrophobicContact CD2-CB 4.43Å; L427-D431 HydrophobicContact CG-CB 3.9Å; L427-K432 HydrophobicContact CD2-CG 3.88Å; L427-K432 HydrophobicContact CG-CG 4.22Å; L427-K432 WeakPolarHBondContact O-CE 3.46Å
428S66.1Low61.4Low61 Ų6197.8 Ų97.843%0.42752%0.517SS..  trans-48.9139179.4-176.90000112.1N430 D431 K432S428-N430 PolarHBondContact O-N 3.19Å; S428-N430 VanDerWaalsContact O-N 3.09Å; S428-D431 WeakPolarHBondContact O-CA 3.25Å; S428-D431 WeakPolarHBondContact O-CB 3.31Å; S428-D431 PolarHBondContact O-N 3.37Å; S428-K432 PolarHBondContact O-N 3.12Å
429I76.1Confident64.1Low118 Ų11889.2 Ų89.261%0.60547%0.472SS*.Hα-helixtrans-53.2-34.6177.6-65168000110.9K432 K433I429-K432 PolarHBondContact O-N 3.42Å; I429-K433 HydrophobicContact CG2-CD 4.49Å; I429-K433 WeakPolarHBondContact O-CG 3.43Å; I429-K433 PolarHBondContact O-N 2.88Å; I429-K433 VanDerWaalsContact O-N 3.07Å
430N78.9Confident66.7Low115 Ų11585.5 Ų85.562%0.61544%0.442SS*.Hα-helixtrans-66.1-38.4176.8-72.7-20.4000112.3S428 K433 A434S428-N430 PolarHBondContact O-N 3.19Å; S428-N430 VanDerWaalsContact O-N 3.09Å; N430-K433 PolarHBondContact O-N 2.76Å; N430-A434 VanDerWaalsContact O-CB 3.23Å; N430-A434 WeakPolarHBondContact O-CB 3.42Å; N430-A434 PolarHBondContact O-N 2.83Å
431D81.1Confident69.1Low41 Ų4184.9 Ų84.922%0.21943%0.428CS..Hα-helixtrans-73-34.5177.9-64.1-28.5000111.5F372 L427 S428 A434 S435F372-D431 HydrophobicContact CZ-CB 4.47Å; L427-D431 HydrophobicContact CD1-CB 3.72Å; L427-D431 HydrophobicContact CD2-CB 4.43Å; L427-D431 HydrophobicContact CG-CB 3.9Å; S428-D431 WeakPolarHBondContact O-CA 3.25Å; S428-D431 WeakPolarHBondContact O-CB 3.31Å; S428-D431 PolarHBondContact O-N 3.37Å; D431-A434 PolarHBondContact O-N 3.31Å; D431-S435 VanDerWaalsContact O-CB 3.26Å; D431-S435 WeakPolarHBondContact O-CB 3.36Å; D431-S435 PolarHBondContact O-N 3.3Å; D431-S435 PolarHBondContact O-OG 2.93Å
432K83.3Confident71.3Confident92 Ų9280 Ų8040%0.441%0.405SS..Hα-helixtrans-61.4-44.5170.8-70.7-178.1-178.1178.40111.5R368 L427 S428 I429 S435 A436R368-K432 PolarHBondContact NH2-O 3.1Å; L427-K432 HydrophobicContact CD2-CG 3.88Å; L427-K432 HydrophobicContact CG-CG 4.22Å; L427-K432 WeakPolarHBondContact O-CE 3.46Å; S428-K432 PolarHBondContact O-N 3.12Å; I429-K432 PolarHBondContact O-N 3.42Å; K432-S435 PolarHBondContact O-OG 3.33Å; K432-A436 PolarHBondContact O-N 3.47Å
433K84.4Confident73.9Confident147 Ų14774.4 Ų74.464%0.63937%0.367SS*.Hα-helixtrans-69-42.8176.7-71.7179.3-178.8177.70111.9I429 N430 A436 F437I429-K433 HydrophobicContact CG2-CD 4.49Å; I429-K433 WeakPolarHBondContact O-CG 3.43Å; I429-K433 PolarHBondContact O-N 2.88Å; I429-K433 VanDerWaalsContact O-N 3.07Å; N430-K433 PolarHBondContact O-N 2.76Å; K433-A436 PolarHBondContact O-N 3.07Å; K433-F437 PolarHBondContact O-N 3.29Å
434A85Confident76.4Confident26 Ų2667.1 Ų67.122%0.21534%0.339CS..Hα-helixtrans-65.1-41.6179.300000112.2N430 D431 F437 F438 W471N430-A434 VanDerWaalsContact O-CB 3.23Å; N430-A434 WeakPolarHBondContact O-CB 3.42Å; N430-A434 PolarHBondContact O-N 2.83Å; D431-A434 PolarHBondContact O-N 3.31Å; A434-F437 PolarHBondContact O-N 3.32Å; A434-F438 VanDerWaalsContact O-CB 3.29Å; A434-F438 WeakPolarHBondContact O-CB 3.27Å; A434-F438 PolarHBondContact O-N 2.93Å; A434-W471 HydrophobicContact CB-CH2 3.82Å
435S86.6Confident78.7Confident0 Ų062.7 Ų62.70%031%0.314CS..Hα-helixtrans-64.9-39.6176.7540000112.5R368 D431 K432 T439R368-S435 PolarHBondContact NE-OG 3.31Å; R368-S435 VanDerWaalsContact NE-OG 3.1Å; D431-S435 VanDerWaalsContact O-CB 3.26Å; D431-S435 WeakPolarHBondContact O-CB 3.36Å; D431-S435 PolarHBondContact O-N 3.3Å; D431-S435 PolarHBondContact O-OG 2.93Å; K432-S435 PolarHBondContact O-OG 3.33Å; S435-T439 WeakPolarHBondContact O-CB 3.4Å; S435-T439 PolarHBondContact O-N 3.09Å; S435-T439 PolarHBondContact O-OG1 2.65Å
436A86.9Confident80.7Confident27 Ų2755.1 Ų55.122%0.22328%0.279CS..Hα-helixtrans-65.2-43.8174.200000111.7V364 K432 K433 T439 E440V364-A436 HydrophobicContact CG1-CB 4.22Å; V364-A436 HydrophobicContact CG2-CB 4.44Å; K432-A436 PolarHBondContact O-N 3.47Å; K433-A436 PolarHBondContact O-N 3.07Å; A436-T439 PolarHBondContact O-N 2.71Å; A436-E440 PolarHBondContact O-N 3.27Å; A436-E440 VanDerWaalsContact O-N 3.17Å
437F85.8Confident82.4Confident62 Ų6246.5 Ų46.527%0.27224%0.24SC..Hα-helixtrans-62.4-46.4176.5-177.4-94.8000111.9L219 K433 A434 E440 H441 I442 Y474L219-F437 HydrophobicContact CD2-CZ 4.31Å; K433-F437 PolarHBondContact O-N 3.29Å; A434-F437 PolarHBondContact O-N 3.32Å; F437-E440 PolarHBondContact O-N 3.21Å; F437-H441 HydrophobicContact CD2-CB 4.35Å; F437-H441 AromaticContact CD2-CG 3.92Å; F437-H441 AromaticContact CD2-ND1 3.59Å; F437-H441 HydrophobicContact CE1-CB 4.23Å; F437-H441 HydrophobicContact CE2-CB 4.03Å; F437-H441 AromaticContact CE2-CD2 4Å; F437-H441 AromaticContact CE2-CG 3.66Å; F437-H441 AromaticContact CE2-ND1 3.79Å; F437-H441 HydrophobicContact CZ-CB 3.97Å; F437-H441 WeakPolarHBondContact O-CB 3.43Å; F437-H441 PolarHBondContact O-N 3.33Å; F437-H441 PolarHBondContact O-ND1 3.16Å; F437-I442 HydrophobicContact CD1-CD1 4.25Å; F437-I442 HydrophobicContact CE1-CD1 4.13Å; F437-I442 HydrophobicContact CE1-CG1 4.3Å; F437-Y474 WeakPolarHBondContact CD1-OH 3.04Å
438F88Confident83.8Confident0 Ų044.6 Ų44.60%023%0.23CC..Iπ-helixtrans-58-48.3176.8171.9-101.3000112.3I367 A434 E440 I442 L443 I470 W471 Y474I367-F438 HydrophobicContact CG2-CD1 4.17Å; I367-F438 HydrophobicContact CG2-CE1 4.18Å; A434-F438 VanDerWaalsContact O-CB 3.29Å; A434-F438 WeakPolarHBondContact O-CB 3.27Å; A434-F438 PolarHBondContact O-N 2.93Å; F438-E440 VanDerWaalsContact C-N 3.34Å; F438-E440 PolarHBondContact O-N 3.22Å; F438-I442 HydrophobicContact CD2-CB 4.04Å; F438-I442 HydrophobicContact CD2-CD1 4.03Å; F438-I442 HydrophobicContact CD2-CG2 4.09Å; F438-I442 HydrophobicContact CE2-CG2 4.15Å; F438-I442 WeakPolarHBondContact O-CB 3.25Å; F438-I442 PolarHBondContact O-N 3.2Å; F438-I442 VanDerWaalsContact O-N 3.16Å; F438-L443 PolarHBondContact O-N 3.26Å; F438-I470 HydrophobicContact CE2-CG2 3.81Å; F438-I470 HydrophobicContact CZ-CB 4.27Å; F438-I470 HydrophobicContact CZ-CG2 3.71Å; F438-W471 HydrophobicContact CB-CE3 3.96Å; F438-W471 HydrophobicContact CB-CZ3 3.53Å; F438-W471 AromaticContact CD1-CE3 3.7Å; F438-W471 HydrophobicContact CD1-CE3 3.7Å; F438-W471 HydrophobicContact CD1-CZ3 4.03Å; F438-W471 AromaticContact CD2-CE3 3.9Å; F438-W471 HydrophobicContact CD2-CE3 3.9Å; F438-W471 HydrophobicContact CD2-CZ3 4.3Å; F438-W471 HydrophobicContact CE1-CE3 4.12Å; F438-W471 HydrophobicContact CE2-CE3 4.31Å; F438-W471 AromaticContact CG-CE3 3.58Å; F438-W471 HydrophobicContact CG-CE3 3.58Å; F438-W471 AromaticContact CG-CZ3 3.71Å; F438-W471 HydrophobicContact CG-CZ3 3.71Å; F438-W471 HydrophobicContact CZ-CB 4.42Å; F438-W471 HydrophobicContact CZ-CE3 4.4Å; F438-Y474 HydrophobicContact CB-CD1 4.46Å; F438-Y474 HydrophobicContact CB-CE1 4.24Å; F438-Y474 AromaticContact CD2-CD1 3.7Å; F438-Y474 HydrophobicContact CD2-CD1 3.7Å; F438-Y474 HydrophobicContact CD2-CE1 4.25Å; F438-Y474 AromaticContact CD2-CG 3.98Å; F438-Y474 HydrophobicContact CD2-CG 3.98Å; F438-Y474 HydrophobicContact CE2-CD1 4.4Å; F438-Y474 HydrophobicContact CE2-CG 4.41Å; F438-Y474 HydrophobicContact CG-CD1 4.43Å
439T87Confident85Confident0 Ų041.9 Ų41.90%021%0.21CC..Iπ-helixtrans-58.8-45.4-179.8-57.80000111.5R363 V364 I367 S435 A436 G444 V448R363-T439 HydrophobicContact CB-CG2 4.1Å; V364-T439 HydrophobicContact CG2-CG2 4.04Å; I367-T439 HydrophobicContact CB-CG2 4.43Å; I367-T439 HydrophobicContact CG1-CG2 3.85Å; S435-T439 WeakPolarHBondContact O-CB 3.4Å; S435-T439 PolarHBondContact O-N 3.09Å; S435-T439 PolarHBondContact O-OG1 2.65Å; A436-T439 PolarHBondContact O-N 2.71Å; T439-G444 WeakPolarHBondContact O-CA 3.45Å; T439-G444 PolarHBondContact O-N 3.39Å; T439-V448 HydrophobicContact CG2-CG2 3.75Å
440E84Confident85.7Confident37 Ų3736.2 Ų36.217%0.17318%0.181CC..Iπ-helixtrans-87.4-40-171.2-67.6-64131.100113.8Q360 R363 A436 F437 F438 G444Q360-E440 HydrophobicContact CG-CG 4.21Å; Q360-E440 WeakPolarHBondContact CG-OE1 3.24Å; R363-E440 IonicContact CZ-OE1 2.85Å; R363-E440 IonicContact CZ-OE2 2.72Å; R363-E440 IonicContact NE-OE1 3.15Å; R363-E440 PolarHBondContact NE-OE1 3.5Å; R363-E440 IonicContact NE-OE2 3.81Å; R363-E440 VanDerWaalsContact NH2-CD 3.25Å; R363-E440 IonicContact NH2-OE1 3.9Å; R363-E440 PolarHBondContact NH2-OE1 2.81Å; R363-E440 IonicContact NH2-OE2 2.88Å; R363-E440 PolarHBondContact NH2-OE2 2.72Å; A436-E440 PolarHBondContact O-N 3.27Å; A436-E440 VanDerWaalsContact O-N 3.17Å; F437-E440 PolarHBondContact O-N 3.21Å; F438-E440 VanDerWaalsContact C-N 3.34Å; F438-E440 PolarHBondContact O-N 3.22Å; E440-G444 WeakPolarHBondContact O-CA 3.25Å
441H79.6Confident86.3Confident91 Ų9130.8 Ų30.842%0.42115%0.152SC..Iπ-helixtrans-97.9-34.1-170.6-66.677.6000113.5F437F437-H441 HydrophobicContact CD2-CB 4.35Å; F437-H441 AromaticContact CD2-CG 3.92Å; F437-H441 AromaticContact CD2-ND1 3.59Å; F437-H441 HydrophobicContact CE1-CB 4.23Å; F437-H441 HydrophobicContact CE2-CB 4.03Å; F437-H441 AromaticContact CE2-CD2 4Å; F437-H441 AromaticContact CE2-CG 3.66Å; F437-H441 AromaticContact CE2-ND1 3.79Å; F437-H441 HydrophobicContact CZ-CB 3.97Å; F437-H441 WeakPolarHBondContact O-CB 3.43Å; F437-H441 PolarHBondContact O-N 3.33Å; F437-H441 PolarHBondContact O-ND1 3.16Å
442I82Confident86.9Confident40 Ų4029.8 Ų29.821%0.20515%0.145CC..Iπ-helixtrans-96.1-60.9-172.5-58.6178.6000108.9L175 F437 F438 Y474L175-I442 WeakPolarHBondContact CD2-O 3.46Å; F437-I442 HydrophobicContact CD1-CD1 4.25Å; F437-I442 HydrophobicContact CE1-CD1 4.13Å; F437-I442 HydrophobicContact CE1-CG1 4.3Å; F438-I442 HydrophobicContact CD2-CB 4.04Å; F438-I442 HydrophobicContact CD2-CD1 4.03Å; F438-I442 HydrophobicContact CD2-CG2 4.09Å; F438-I442 HydrophobicContact CE2-CG2 4.15Å; F438-I442 WeakPolarHBondContact O-CB 3.25Å; F438-I442 PolarHBondContact O-N 3.2Å; F438-I442 VanDerWaalsContact O-N 3.16Å; I442-Y474 HydrophobicContact CD1-CD1 4.2Å; I442-Y474 HydrophobicContact CD1-CD2 3.23Å; I442-Y474 HydrophobicContact CD1-CE1 3.99Å; I442-Y474 HydrophobicContact CD1-CE2 2.99Å; I442-Y474 HydrophobicContact CD1-CG 3.84Å; I442-Y474 HydrophobicContact CG1-CE2 4.45Å
443L85.2Confident87.3Confident2 Ų225.4 Ų25.41%0.0113%0.126CC..Iπ-helixtrans-74.1-44.3179-169.167.3000110.9L175 R178 I367 F438 G447 V448 L451L175-L443 HydrophobicContact CD1-CD1 4.28Å; L175-L443 WeakPolarHBondContact CD2-O 3.41Å; R178-L443 PolarHBondContact NH1-O 2.91Å; I367-L443 HydrophobicContact CD1-CD2 3.65Å; I367-L443 HydrophobicContact CG1-CD2 4.2Å; F438-L443 PolarHBondContact O-N 3.26Å; L443-G447 PolarHBondContact O-N 3.45Å; L443-V448 HydrophobicContact CD2-CB 4.38Å; L443-V448 HydrophobicContact CD2-CG2 3.56Å; L443-V448 HydrophobicContact CG-CG2 4.11Å; L443-L451 HydrophobicContact CD1-CD1 4.2Å; L443-L451 HydrophobicContact CD2-CD1 3.6Å
444G84.6Confident87.7Confident1 Ų118.4 Ų18.41%0.0110%0.096CC..Hα-helixtrans59.9-172.1-177.400000114.7T439 E440 G447 V448T439-G444 WeakPolarHBondContact O-CA 3.45Å; T439-G444 PolarHBondContact O-N 3.39Å; E440-G444 WeakPolarHBondContact O-CA 3.25Å; G444-G447 PolarHBondContact O-N 2.84Å; G444-V448 WeakPolarHBondContact O-CB 3.25Å; G444-V448 WeakPolarHBondContact O-CG2 3.43Å; G444-V448 PolarHBondContact O-N 2.9Å
445Q86.3Confident88Confident56 Ų5618 Ų1826%0.2629%0.093SC..Hα-helixtrans-65.7-45.9-171.9-67-174.7-2.400112.6S241 V448 F449S241-Q445 VanDerWaalsContact OG-CD 3.25Å; S241-Q445 PolarHBondContact OG-OE1 2.86Å; Q445-V448 PolarHBondContact O-N 3.08Å; Q445-F449 WeakPolarHBondContact O-CB 3.36Å; Q445-F449 PolarHBondContact O-N 3.38Å
446D88.2Confident88.2Confident17 Ų1721.8 Ų21.89%0.09111%0.112CC..Hα-helixtrans-65.7-39.9179.8-69.9-18.5000112.4N240 S241 Y242 L243 N244 F449 V450N240-D446 VanDerWaalsContact C-OD2 3.3Å; N240-D446 PolarHBondContact O-N 3.37Å; S241-D446 WeakPolarHBondContact CA-OD1 3.37Å; S241-D446 PolarHBondContact N-OD2 3.01Å; Y242-D446 PolarHBondContact N-OD1 3.37Å; Y242-D446 PolarHBondContact N-OD2 2.95Å; L243-D446 HydrophobicContact CB-CB 4.27Å; L243-D446 PolarHBondContact N-OD1 3.38Å; L243-D446 VanDerWaalsContact N-OD1 3.08Å; L243-D446 PolarHBondContact N-OD2 2.99Å; N244-D446 PolarHBondContact N-OD1 3.49Å; D446-F449 WeakPolarHBondContact O-CB 3.47Å; D446-F449 PolarHBondContact O-N 3.29Å; D446-V450 WeakPolarHBondContact O-CG2 3.37Å; D446-V450 PolarHBondContact O-N 3.39Å
447G88.6Confident88.4Confident3 Ų322.4 Ų22.43%0.03111%0.112CC..Hα-helixtrans-66.8-39.4176.700000112.8L443 G444 F449 V450 L451L443-G447 PolarHBondContact O-N 3.45Å; G444-G447 PolarHBondContact O-N 2.84Å; G447-F449 VanDerWaalsContact C-N 3.32Å; G447-V450 PolarHBondContact O-N 2.83Å; G447-L451 PolarHBondContact O-N 3.24Å
448V91.3Very high88.5Confident1 Ų121.1 Ų21.11%0.00611%0.109CC..Hα-helixtrans-63.9-40.8172.9173.40000110.4R363 F366 I367 T439 L443 G444 Q445 L451 R452R363-V448 HydrophobicContact CB-CG1 4.12Å; R363-V448 HydrophobicContact CG-CG1 4.13Å; F366-V448 HydrophobicContact CD1-CG1 4.33Å; I367-V448 HydrophobicContact CD1-CG2 4.22Å; I367-V448 HydrophobicContact CG1-CG2 4.07Å; T439-V448 HydrophobicContact CG2-CG2 3.75Å; L443-V448 HydrophobicContact CD2-CB 4.38Å; L443-V448 HydrophobicContact CD2-CG2 3.56Å; L443-V448 HydrophobicContact CG-CG2 4.11Å; G444-V448 WeakPolarHBondContact O-CB 3.25Å; G444-V448 WeakPolarHBondContact O-CG2 3.43Å; G444-V448 PolarHBondContact O-N 2.9Å; Q445-V448 PolarHBondContact O-N 3.08Å; V448-L451 PolarHBondContact O-N 3.43Å; V448-R452 HydrophobicContact CG1-CG 4.42Å; V448-R452 WeakPolarHBondContact O-CB 3.46Å; V448-R452 VanDerWaalsContact O-CG 3.31Å; V448-R452 WeakPolarHBondContact O-CG 3.4Å; V448-R452 PolarHBondContact O-N 3.49Å
449F91.8Very high88.5Confident3 Ų322.3 Ų22.31%0.01312%0.122CC..Hα-helixtrans-61.1-48176.6171.1-95.3000111.8W129 L243 N244 Y247 W353 Q445 D446 G447 L451 R452 L453W129-F449 HydrophobicContact CH2-CE1 4.17Å; W129-F449 HydrophobicContact CH2-CZ 4.12Å; L243-F449 HydrophobicContact CB-CD1 4.48Å; L243-F449 HydrophobicContact CD2-CD1 3.52Å; L243-F449 HydrophobicContact CD2-CE1 3.69Å; L243-F449 HydrophobicContact CG-CD1 3.77Å; L243-F449 HydrophobicContact CG-CE1 3.7Å; N244-F449 HydrophobicContact CB-CB 3.99Å; N244-F449 HydrophobicContact CB-CD2 4.38Å; N244-F449 HydrophobicContact CB-CG 4.14Å; Y247-F449 HydrophobicContact CD1-CD2 4.46Å; Y247-F449 AromaticContact CD1-CE2 3.36Å; Y247-F449 HydrophobicContact CD1-CE2 3.36Å; Y247-F449 AromaticContact CD1-CZ 3.8Å; Y247-F449 HydrophobicContact CD1-CZ 3.8Å; Y247-F449 HydrophobicContact CD2-CE2 4.2Å; Y247-F449 AromaticContact CD2-CZ 3.74Å; Y247-F449 HydrophobicContact CD2-CZ 3.74Å; Y247-F449 AromaticContact CE1-CE2 3.83Å; Y247-F449 HydrophobicContact CE1-CE2 3.83Å; Y247-F449 HydrophobicContact CE1-CZ 4.26Å; Y247-F449 HydrophobicContact CE2-CZ 4.22Å; Y247-F449 AromaticContact CG-CE2 3.52Å; Y247-F449 HydrophobicContact CG-CE2 3.52Å; Y247-F449 AromaticContact CG-CZ 3.46Å; Y247-F449 HydrophobicContact CG-CZ 3.46Å; Y247-F449 VanDerWaalsContact CG-CZ 3.46Å; W353-F449 HydrophobicContact CE3-CD2 4.44Å; W353-F449 HydrophobicContact CE3-CE2 4.32Å; W353-F449 HydrophobicContact CH2-CD2 4.32Å; W353-F449 AromaticContact CH2-CE2 3.98Å; W353-F449 HydrophobicContact CH2-CE2 3.98Å; W353-F449 AromaticContact CZ3-CD2 3.69Å; W353-F449 HydrophobicContact CZ3-CD2 3.69Å; W353-F449 AromaticContact CZ3-CE2 3.65Å; W353-F449 HydrophobicContact CZ3-CE2 3.65Å; Q445-F449 WeakPolarHBondContact O-CB 3.36Å; Q445-F449 PolarHBondContact O-N 3.38Å; D446-F449 WeakPolarHBondContact O-CB 3.47Å; D446-F449 PolarHBondContact O-N 3.29Å; G447-F449 VanDerWaalsContact C-N 3.32Å; F449-L451 PolarHBondContact O-N 2.91Å; F449-R452 WeakPolarHBondContact O-CB 3.28Å; F449-R452 PolarHBondContact O-N 3.31Å; F449-R452 VanDerWaalsContact O-N 3.15Å; F449-L453 PolarHBondContact O-N 2.92Å
450V91.5Very high88.6Confident0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-59.9-46.1177.2175.10000111.1I138 L140 V143 M144 L171 L243 D446 G447 R452 L453 I454I138-V450 HydrophobicContact CD1-CG2 4.36Å; I138-V450 HydrophobicContact CG2-CG2 4.35Å; L140-V450 HydrophobicContact CD1-CG1 4.39Å; L140-V450 HydrophobicContact CD1-CG2 4.09Å; V143-V450 HydrophobicContact CG1-CG1 4.03Å; M144-V450 HydrophobicContact CE-CG1 4.02Å; L171-V450 HydrophobicContact CD2-CG1 4.19Å; L243-V450 HydrophobicContact CD2-CG2 3.57Å; D446-V450 WeakPolarHBondContact O-CG2 3.37Å; D446-V450 PolarHBondContact O-N 3.39Å; G447-V450 PolarHBondContact O-N 2.83Å; V450-R452 VanDerWaalsContact C-N 3.3Å; V450-R452 PolarHBondContact O-N 2.98Å; V450-L453 WeakPolarHBondContact O-CB 3.47Å; V450-L453 PolarHBondContact O-N 3.25Å; V450-L453 VanDerWaalsContact O-N 3.15Å; V450-I454 HydrophobicContact CG1-CD1 4.14Å; V450-I454 WeakPolarHBondContact O-CG1 3.17Å; V450-I454 PolarHBondContact O-N 2.88Å
451L92Very high88.7Confident1 Ų130.7 Ų30.71%0.00516%0.16CC..Hα-helixtrans-62.9-36.1176.6-73.6179.4000112.8F366 I367 L370 L443 G447 V448 F449 I454 A455 I466 A467F366-L451 HydrophobicContact CE1-CB 4.25Å; I367-L451 HydrophobicContact CD1-CD1 3.85Å; L370-L451 HydrophobicContact CD1-CB 4.46Å; L443-L451 HydrophobicContact CD1-CD1 4.2Å; L443-L451 HydrophobicContact CD2-CD1 3.6Å; G447-L451 PolarHBondContact O-N 3.24Å; V448-L451 PolarHBondContact O-N 3.43Å; F449-L451 PolarHBondContact O-N 2.91Å; L451-I454 HydrophobicContact CD2-CD1 4.46Å; L451-A455 WeakPolarHBondContact O-CB 3.19Å; L451-A455 PolarHBondContact O-N 3.48Å; L451-I466 HydrophobicContact CD2-CB 4.18Å; L451-I466 HydrophobicContact CD2-CG2 3.82Å; L451-A467 HydrophobicContact CD1-CB 4.11Å
452R93.6Very high89.2Confident19 Ų1927 Ų277%0.07214%0.144CC..Hα-helixtrans-64.4-41.4173.4-75.9179.7-173.5-91.617.4111.3W353 R356 S362 F366 V448 F449 V450 A455 L456W353-R452 HydrophobicContact CH2-CB 4.45Å; R356-R452 PolarHBondContact O-NH2 2.93Å; R356-R452 VanDerWaalsContact O-NH2 3.1Å; S362-R452 VanDerWaalsContact C-NH2 3.27Å; S362-R452 PolarHBondContact O-NH2 3.32Å; S362-R452 VanDerWaalsContact O-NH2 3.12Å; S362-R452 PolarHBondContact OG-NH2 3.41Å; S362-R452 VanDerWaalsContact OG-NH2 3.13Å; F366-R452 HydrophobicContact CD1-CG 3.61Å; F366-R452 HydrophobicContact CD2-CG 4.33Å; F366-R452 HydrophobicContact CE1-CB 4.21Å; F366-R452 HydrophobicContact CE1-CG 3.3Å; F366-R452 HydrophobicContact CE2-CG 4.08Å; F366-R452 HydrophobicContact CG-CG 4.12Å; F366-R452 HydrophobicContact CZ-CB 4.18Å; F366-R452 HydrophobicContact CZ-CG 3.56Å; V448-R452 HydrophobicContact CG1-CG 4.42Å; V448-R452 WeakPolarHBondContact O-CB 3.46Å; V448-R452 VanDerWaalsContact O-CG 3.31Å; V448-R452 WeakPolarHBondContact O-CG 3.4Å; V448-R452 PolarHBondContact O-N 3.49Å; F449-R452 WeakPolarHBondContact O-CB 3.28Å; F449-R452 PolarHBondContact O-N 3.31Å; F449-R452 VanDerWaalsContact O-N 3.15Å; V450-R452 VanDerWaalsContact C-N 3.3Å; V450-R452 PolarHBondContact O-N 2.98Å; R452-A455 PolarHBondContact O-N 3.06Å; R452-L456 VanDerWaalsContact O-CG 3.3Å; R452-L456 WeakPolarHBondContact O-CG 3.33Å; R452-L456 PolarHBondContact O-N 3.27Å
453L91.8Very high89.6Confident0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-65.3-43.1178.5-166.372.9000111.6D25 L140 M144 F449 V450 A455 L456 N457D25-L453 WeakPolarHBondContact O-CD2 3.01Å; L140-L453 HydrophobicContact CD1-CD2 3.79Å; L140-L453 HydrophobicContact CD2-CD2 3.73Å; L140-L453 HydrophobicContact CG-CD2 4.07Å; M144-L453 HydrophobicContact CE-CD2 4.33Å; M144-L453 HydrophobicContact CG-CD2 4.29Å; M144-L453 HydrophobicContact SD-CB 4.42Å; M144-L453 HydrophobicContact SD-CD2 3.81Å; M144-L453 HydrophobicContact SD-CG 4.02Å; F449-L453 PolarHBondContact O-N 2.92Å; V450-L453 WeakPolarHBondContact O-CB 3.47Å; V450-L453 PolarHBondContact O-N 3.25Å; V450-L453 VanDerWaalsContact O-N 3.15Å; L453-A455 VanDerWaalsContact C-N 3.31Å; L453-A455 PolarHBondContact O-N 2.88Å; L453-L456 PolarHBondContact O-N 3.36Å; L453-N457 PolarHBondContact O-N 3.23Å
454I92Very high89.9Confident0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-58.1-46.7171.9-63.3171.3000110V143 M144 A147 V450 L451 L456 N457 V458 G459 I462 A463 I466V143-I454 HydrophobicContact CG1-CD1 4.08Å; M144-I454 HydrophobicContact CE-CB 4.49Å; M144-I454 HydrophobicContact CE-CD1 3.92Å; M144-I454 HydrophobicContact CE-CG1 3.22Å; M144-I454 HydrophobicContact SD-CG1 3.92Å; A147-I454 HydrophobicContact CB-CG1 4.42Å; A147-I454 HydrophobicContact CB-CG2 4.18Å; V450-I454 HydrophobicContact CG1-CD1 4.14Å; V450-I454 WeakPolarHBondContact O-CG1 3.17Å; V450-I454 PolarHBondContact O-N 2.88Å; L451-I454 HydrophobicContact CD2-CD1 4.46Å; I454-L456 PolarHBondContact O-N 3.42Å; I454-N457 PolarHBondContact O-N 2.9Å; I454-V458 HydrophobicContact CG2-CB 4.23Å; I454-V458 WeakPolarHBondContact O-CA 3.4Å; I454-V458 WeakPolarHBondContact O-CB 3.34Å; I454-V458 PolarHBondContact O-N 3.17Å; I454-G459 PolarHBondContact O-N 2.99Å; I454-G459 VanDerWaalsContact O-N 3.09Å; I454-I462 HydrophobicContact CG2-CG2 4.21Å; I454-A463 HydrophobicContact CB-CB 4.35Å; I454-A463 HydrophobicContact CG2-CB 4.05Å; I454-I466 HydrophobicContact CD1-CD1 3.8Å; I454-I466 HydrophobicContact CG2-CD1 4.33Å
455A92.2Very high90.1Very high18 Ų1829 Ų2915%0.14915%0.152CC..Hα-helixtrans-62-32.5-179.700000113F366 L451 R452 L453 G459 A463F366-A455 HydrophobicContact CE2-CB 4.26Å; F366-A455 HydrophobicContact CZ-CB 3.96Å; L451-A455 WeakPolarHBondContact O-CB 3.19Å; L451-A455 PolarHBondContact O-N 3.48Å; R452-A455 PolarHBondContact O-N 3.06Å; L453-A455 VanDerWaalsContact C-N 3.31Å; L453-A455 PolarHBondContact O-N 2.88Å; A455-G459 CarbonylContact O-C 3.51Å; A455-G459 WeakPolarHBondContact O-CA 3.41Å; A455-A463 HydrophobicContact CB-CB 3.73Å
456L90.6Very high90.3Very high80 Ų8026.3 Ų26.342%0.41914%0.14SC..Hα-helixtrans-80.5-38.9180-72.5168.8000113.3D27 W353 R452 L453 I454D27-L456 WeakPolarHBondContact OD1-CD1 3.39Å; W353-L456 HydrophobicContact CH2-CD1 3.74Å; W353-L456 HydrophobicContact CZ2-CD1 3.39Å; R452-L456 VanDerWaalsContact O-CG 3.3Å; R452-L456 WeakPolarHBondContact O-CG 3.33Å; R452-L456 PolarHBondContact O-N 3.27Å; L453-L456 PolarHBondContact O-N 3.36Å; I454-L456 PolarHBondContact O-N 3.42Å
457N89.5Confident90.4Very high39 Ų3925.5 Ų25.521%0.20914%0.135CC..Hα-helixtrans-95.1-34.7-173.5-76.8-43.7000114.1T24 D26 R31 L453 I454T24-N457 PolarHBondContact O-ND2 2.84Å; D26-N457 PolarHBondContact O-ND2 3.18Å; D26-N457 VanDerWaalsContact O-ND2 3.09Å; D26-N457 PolarHBondContact O-OD1 2.98Å; R31-N457 PolarHBondContact NH2-OD1 3Å; L453-N457 PolarHBondContact O-N 3.23Å; I454-N457 PolarHBondContact O-N 2.9Å
458V88.1Confident90.4Very high36 Ų3626.4 Ų26.422%0.21814%0.141CC..THydrogen-bonded Turntrans-107.9-36.1-175.1178.20000110.9A147 I454 I462A147-V458 HydrophobicContact CB-CG2 4.12Å; A147-V458 VanDerWaalsContact O-CG1 3.28Å; A147-V458 WeakPolarHBondContact O-CG1 3.37Å; I454-V458 HydrophobicContact CG2-CB 4.23Å; I454-V458 WeakPolarHBondContact O-CA 3.4Å; I454-V458 WeakPolarHBondContact O-CB 3.34Å; I454-V458 PolarHBondContact O-N 3.17Å; V458-I462 HydrophobicContact CG1-CB 4.12Å; V458-I462 HydrophobicContact CG1-CD1 3.36Å; V458-I462 HydrophobicContact CG1-CG1 4.32Å; V458-I462 HydrophobicContact CG1-CG2 4.12Å
459G88.6Confident90.2Very high25 Ų2529.6 Ų29.626%0.25816%0.157SC..  trans128.715517500000113.4I454 A455 H461 I462 A463I454-G459 PolarHBondContact O-N 2.99Å; I454-G459 VanDerWaalsContact O-N 3.09Å; A455-G459 CarbonylContact O-C 3.51Å; A455-G459 WeakPolarHBondContact O-CA 3.41Å; G459-H461 VanDerWaalsContact C-N 3.27Å; G459-H461 PolarHBondContact O-N 2.77Å; G459-I462 PolarHBondContact O-N 3.06Å; G459-A463 PolarHBondContact O-N 3.49Å
460Q89Confident90Very high89 Ų8929.7 Ų29.742%0.41616%0.158SC..Hα-helixtrans-65.3-28.7-173.2-168.3171.7-7.200113.4S369 L370 S464S369-Q460 PolarHBondContact OG-NE2 3.35Å; L370-Q460 HydrophobicContact CD2-CG 3.59Å; Q460-S464 WeakPolarHBondContact O-CB 3.38Å; Q460-S464 PolarHBondContact O-N 3.37Å
461H87.2Confident89.9Confident123 Ų12330.4 Ų30.457%0.56916%0.161SC*.Hα-helixtrans-64.3-44.1-180176.3-116.5000112.6G459 S464 K465G459-H461 VanDerWaalsContact C-N 3.27Å; G459-H461 PolarHBondContact O-N 2.77Å; H461-S464 WeakPolarHBondContact O-CB 3.49Å; H461-S464 PolarHBondContact O-N 3.37Å; H461-K465 WeakPolarHBondContact CE1-CE 3.39Å; H461-K465 PolarHBondContact O-N 2.99Å
462I89Confident89.6Confident15 Ų1535 Ų358%0.07719%0.185CC..Hα-helixtrans-72.1-41.4179.6-70.2145.2000110.4L164 I454 V458 G459 S464 K465 I466L164-I462 HydrophobicContact CD2-CG2 4.26Å; I454-I462 HydrophobicContact CG2-CG2 4.21Å; V458-I462 HydrophobicContact CG1-CB 4.12Å; V458-I462 HydrophobicContact CG1-CD1 3.36Å; V458-I462 HydrophobicContact CG1-CG1 4.32Å; V458-I462 HydrophobicContact CG1-CG2 4.12Å; G459-I462 PolarHBondContact O-N 3.06Å; I462-S464 VanDerWaalsContact C-N 3.26Å; I462-S464 PolarHBondContact O-N 3.15Å; I462-K465 PolarHBondContact O-N 3.38Å; I462-I466 HydrophobicContact CG2-CD1 4.08Å; I462-I466 WeakPolarHBondContact O-CG1 3.08Å; I462-I466 PolarHBondContact O-N 3.33Å
463A91.5Very high89.2Confident0 Ų037.8 Ų37.80%020%0.196CC..Hα-helixtrans-58.2-38.4171.700000112.4L370 I454 A455 G459 A467L370-A463 HydrophobicContact CD1-CB 4.29Å; L370-A463 HydrophobicContact CD2-CB 4.14Å; I454-A463 HydrophobicContact CB-CB 4.35Å; I454-A463 HydrophobicContact CG2-CB 4.05Å; A455-A463 HydrophobicContact CB-CB 3.73Å; G459-A463 PolarHBondContact O-N 3.49Å; A463-A467 VanDerWaalsContact O-CB 3.28Å; A463-A467 WeakPolarHBondContact O-CB 2.98Å; A463-A467 PolarHBondContact O-N 3.35Å
464S89.8Confident88.7Confident14 Ų1439.7 Ų39.710%0.09820%0.203CC..Hα-helixtrans-65.4-45.7175174.50000112L370 Q460 H461 I462 I466 A467 C468L370-S464 WeakPolarHBondContact O-CB 3.49Å; L370-S464 PolarHBondContact O-OG 3.36Å; Q460-S464 WeakPolarHBondContact O-CB 3.38Å; Q460-S464 PolarHBondContact O-N 3.37Å; H461-S464 WeakPolarHBondContact O-CB 3.49Å; H461-S464 PolarHBondContact O-N 3.37Å; I462-S464 VanDerWaalsContact C-N 3.26Å; I462-S464 PolarHBondContact O-N 3.15Å; S464-I466 PolarHBondContact O-N 2.94Å; S464-A467 PolarHBondContact O-N 2.88Å; S464-C468 WeakPolarHBondContact O-CB 3.3Å; S464-C468 PolarHBondContact O-N 3.2Å; S464-C468 PolarHBondContact O-SG 3.3Å
465K89.5Confident88.3Confident70 Ų7044.7 Ų44.730%0.30422%0.222SC..Hα-helixtrans-56.2-48.3174.7-76-176.8173.6178.60111.8L164 H461 I462 C468 L469L164-K465 HydrophobicContact CD1-CB 4.4Å; L164-K465 HydrophobicContact CD1-CD 4.07Å; H461-K465 WeakPolarHBondContact CE1-CE 3.39Å; H461-K465 PolarHBondContact O-N 2.99Å; I462-K465 PolarHBondContact O-N 3.38Å; K465-C468 PolarHBondContact O-N 3.28Å; K465-L469 WeakPolarHBondContact O-CG 3.4Å; K465-L469 PolarHBondContact O-N 2.8Å
466I90.4Very high87.8Confident0 Ų049.4 Ų49.40%024%0.244CC..Hα-helixtrans-62.6-46.7178.4-62.7168.5000110.5L164 I167 V168 L171 L451 I454 I462 S464 C468 L469 I470L164-I466 HydrophobicContact CD2-CD1 3.95Å; L164-I466 HydrophobicContact CD2-CG1 3.41Å; L164-I466 VanDerWaalsContact CD2-CG1 3.41Å; I167-I466 HydrophobicContact CD1-CD1 4.38Å; I167-I466 HydrophobicContact CG2-CD1 4.1Å; I167-I466 HydrophobicContact CG2-CG2 4.36Å; V168-I466 HydrophobicContact CG2-CG2 4.11Å; L171-I466 HydrophobicContact CD1-CG2 4.11Å; L451-I466 HydrophobicContact CD2-CB 4.18Å; L451-I466 HydrophobicContact CD2-CG2 3.82Å; I454-I466 HydrophobicContact CD1-CD1 3.8Å; I454-I466 HydrophobicContact CG2-CD1 4.33Å; I462-I466 HydrophobicContact CG2-CD1 4.08Å; I462-I466 WeakPolarHBondContact O-CG1 3.08Å; I462-I466 PolarHBondContact O-N 3.33Å; S464-I466 PolarHBondContact O-N 2.94Å; I466-C468 VanDerWaalsContact C-N 3.34Å; I466-C468 PolarHBondContact O-N 3.39Å; I466-L469 PolarHBondContact O-N 3.5Å; I466-I470 HydrophobicContact CG2-CD1 3.88Å; I466-I470 WeakPolarHBondContact O-CG1 3.48Å; I466-I470 PolarHBondContact O-N 2.91Å; I466-I470 VanDerWaalsContact O-N 3.09Å
467A90.6Very high87.1Confident0 Ų047.3 Ų47.30%023%0.234CC..Hα-helixtrans-60.6-42178.800000112.3L370 L371 L451 A463 S464 W471L370-A467 HydrophobicContact CB-CB 4.17Å; L370-A467 HydrophobicContact CD1-CB 4.19Å; L371-A467 HydrophobicContact CD2-CB 4.18Å; L451-A467 HydrophobicContact CD1-CB 4.11Å; A463-A467 VanDerWaalsContact O-CB 3.28Å; A463-A467 WeakPolarHBondContact O-CB 2.98Å; A463-A467 PolarHBondContact O-N 3.35Å; S464-A467 PolarHBondContact O-N 2.88Å; A467-W471 VanDerWaalsContact O-CB 3.23Å; A467-W471 WeakPolarHBondContact O-CB 3.39Å; A467-W471 PolarHBondContact O-N 3.4Å
468C88.4Confident86.3Confident21 Ų2147.7 Ų47.714%0.14224%0.237CC..Hα-helixtrans-65.3-43.7176.9-720000112S464 K465 I466 I470 W471 D472S464-C468 WeakPolarHBondContact O-CB 3.3Å; S464-C468 PolarHBondContact O-N 3.2Å; S464-C468 PolarHBondContact O-SG 3.3Å; K465-C468 PolarHBondContact O-N 3.28Å; I466-C468 VanDerWaalsContact C-N 3.34Å; I466-C468 PolarHBondContact O-N 3.39Å; C468-I470 PolarHBondContact O-N 2.84Å; C468-W471 WeakPolarHBondContact O-CB 3.29Å; C468-W471 PolarHBondContact O-N 3.45Å; C468-W471 VanDerWaalsContact O-N 3.16Å; C468-D472 WeakPolarHBondContact O-CB 3.1Å; C468-D472 VanDerWaalsContact O-CG 3.29Å; C468-D472 PolarHBondContact O-N 2.83Å
469L87.3Confident85.8Confident68 Ų6849.7 Ų49.736%0.35625%0.246SC..Hα-helixtrans-60.3-44.5176.8-72.6172.3000112.1L164 V168 K465 I466 W471 D472 R473L164-L469 HydrophobicContact CB-CD1 4.11Å; V168-L469 HydrophobicContact CG2-CB 3.85Å; V168-L469 HydrophobicContact CG2-CD1 4.08Å; K465-L469 WeakPolarHBondContact O-CG 3.4Å; K465-L469 PolarHBondContact O-N 2.8Å; I466-L469 PolarHBondContact O-N 3.5Å; L469-W471 VanDerWaalsContact C-N 3.32Å; L469-D472 PolarHBondContact O-N 2.8Å; L469-R473 WeakPolarHBondContact O-CG 3.3Å; L469-R473 PolarHBondContact O-N 2.95Å; L469-R473 VanDerWaalsContact O-N 3.12Å
470I88.1Confident85Confident5 Ų551.1 Ų51.13%0.02625%0.25CC..Hα-helixtrans-65-39.9176-60.9167.1000110.3V168 L171 F438 I466 C468 Y474V168-I470 HydrophobicContact CB-CG1 4.48Å; V168-I470 HydrophobicContact CG1-CG1 3.93Å; V168-I470 HydrophobicContact CG2-CG1 4.09Å; L171-I470 HydrophobicContact CD1-CD1 4.09Å; F438-I470 HydrophobicContact CE2-CG2 3.81Å; F438-I470 HydrophobicContact CZ-CB 4.27Å; F438-I470 HydrophobicContact CZ-CG2 3.71Å; I466-I470 HydrophobicContact CG2-CD1 3.88Å; I466-I470 WeakPolarHBondContact O-CG1 3.48Å; I466-I470 PolarHBondContact O-N 2.91Å; I466-I470 VanDerWaalsContact O-N 3.09Å; C468-I470 PolarHBondContact O-N 2.84Å; I470-Y474 WeakPolarHBondContact O-CB 3.39Å; I470-Y474 PolarHBondContact O-N 3.1Å
471W88.7Confident84Confident16 Ų1647.6 Ų47.66%0.06124%0.235CC..Hα-helixtrans-65.7-43.4178.7174.3-98000112.8L371 A434 F438 A467 C468 L469 Y474 R475L371-W471 HydrophobicContact CD1-CD2 3.9Å; L371-W471 HydrophobicContact CD1-CE3 3.86Å; L371-W471 HydrophobicContact CD1-CG 4.22Å; L371-W471 HydrophobicContact CD1-CZ3 4.36Å; L371-W471 HydrophobicContact CD2-CB 3.66Å; L371-W471 HydrophobicContact CD2-CD2 4.44Å; L371-W471 HydrophobicContact CD2-CG 3.89Å; A434-W471 HydrophobicContact CB-CH2 3.82Å; F438-W471 HydrophobicContact CB-CE3 3.96Å; F438-W471 HydrophobicContact CB-CZ3 3.53Å; F438-W471 AromaticContact CD1-CE3 3.7Å; F438-W471 HydrophobicContact CD1-CE3 3.7Å; F438-W471 HydrophobicContact CD1-CZ3 4.03Å; F438-W471 AromaticContact CD2-CE3 3.9Å; F438-W471 HydrophobicContact CD2-CE3 3.9Å; F438-W471 HydrophobicContact CD2-CZ3 4.3Å; F438-W471 HydrophobicContact CE1-CE3 4.12Å; F438-W471 HydrophobicContact CE2-CE3 4.31Å; F438-W471 AromaticContact CG-CE3 3.58Å; F438-W471 HydrophobicContact CG-CE3 3.58Å; F438-W471 AromaticContact CG-CZ3 3.71Å; F438-W471 HydrophobicContact CG-CZ3 3.71Å; F438-W471 HydrophobicContact CZ-CB 4.42Å; F438-W471 HydrophobicContact CZ-CE3 4.4Å; A467-W471 VanDerWaalsContact O-CB 3.23Å; A467-W471 WeakPolarHBondContact O-CB 3.39Å; A467-W471 PolarHBondContact O-N 3.4Å; C468-W471 WeakPolarHBondContact O-CB 3.29Å; C468-W471 PolarHBondContact O-N 3.45Å; C468-W471 VanDerWaalsContact O-N 3.16Å; L469-W471 VanDerWaalsContact C-N 3.32Å; W471-Y474 HydrophobicContact CE3-CD1 4.13Å; W471-Y474 HydrophobicContact CZ3-CD1 4.21Å; W471-Y474 HydrophobicContact CZ3-CE1 4.24Å; W471-Y474 WeakPolarHBondContact O-CB 3.44Å; W471-Y474 PolarHBondContact O-N 2.05Å; W471-R475 HydrophobicContact CD2-CG 4.37Å; W471-R475 HydrophobicContact CZ2-CG 4.19Å; W471-R475 VanDerWaalsContact NE1-CD 3.34Å; W471-R475 WeakPolarHBondContact O-CG 3.4Å; W471-R475 PolarHBondContact O-N 2.82Å
472D86.5Confident83.1Confident96 Ų9647.7 Ų47.751%0.51323%0.234SC..Hα-helixtrans-66.4-43.6179.9-71.5-20.1000111C468 L469 Y474 R475 L476C468-D472 WeakPolarHBondContact O-CB 3.1Å; C468-D472 VanDerWaalsContact O-CG 3.29Å; C468-D472 PolarHBondContact O-N 2.83Å; L469-D472 PolarHBondContact O-N 2.8Å; D472-Y474 VanDerWaalsContact C-N 3.33Å; D472-Y474 PolarHBondContact O-N 3.08Å; D472-R475 PolarHBondContact O-N 2.04Å; D472-L476 WeakPolarHBondContact O-CB 3.24Å; D472-L476 PolarHBondContact O-N 2.79Å
473R84Confident81.7Confident79 Ų7954.6 Ų54.630%0.29826%0.26SS..Hα-helixtrans-58.5-44.6171.6-72.8-178179.9-158.1-2.9111.4E165 E172 L469 L476 V477E165-R473 IonicContact OE1-NH2 3.77Å; E165-R473 PolarHBondContact OE1-NH2 3.29Å; E172-R473 WeakPolarHBondContact OE1-CD 3.21Å; E172-R473 IonicContact OE2-CZ 2.84Å; E172-R473 IonicContact OE2-NH1 3.76Å; E172-R473 PolarHBondContact OE2-NH1 3.43Å; L469-R473 WeakPolarHBondContact O-CG 3.3Å; L469-R473 PolarHBondContact O-N 2.95Å; L469-R473 VanDerWaalsContact O-N 3.12Å; R473-L476 PolarHBondContact O-N 2.76Å; R473-V477 WeakPolarHBondContact O-CG2 3.47Å; R473-V477 PolarHBondContact O-N 2.81Å; R473-V477 VanDerWaalsContact O-N 3.15Å
474Y82.9Confident80.5Confident40 Ų4057.3 Ų57.316%0.15728%0.276CS..Hα-helixtrans-61.5-45.7175.2165.6-116000112.7F437 F438 I442 I470 W471 D472 L476 V477 N478F437-Y474 WeakPolarHBondContact CD1-OH 3.04Å; F438-Y474 HydrophobicContact CB-CD1 4.46Å; F438-Y474 HydrophobicContact CB-CE1 4.24Å; F438-Y474 AromaticContact CD2-CD1 3.7Å; F438-Y474 HydrophobicContact CD2-CD1 3.7Å; F438-Y474 HydrophobicContact CD2-CE1 4.25Å; F438-Y474 AromaticContact CD2-CG 3.98Å; F438-Y474 HydrophobicContact CD2-CG 3.98Å; F438-Y474 HydrophobicContact CE2-CD1 4.4Å; F438-Y474 HydrophobicContact CE2-CG 4.41Å; F438-Y474 HydrophobicContact CG-CD1 4.43Å; I442-Y474 HydrophobicContact CD1-CD1 4.2Å; I442-Y474 HydrophobicContact CD1-CD2 3.23Å; I442-Y474 HydrophobicContact CD1-CE1 3.99Å; I442-Y474 HydrophobicContact CD1-CE2 2.99Å; I442-Y474 HydrophobicContact CD1-CG 3.84Å; I442-Y474 HydrophobicContact CG1-CE2 4.45Å; I470-Y474 WeakPolarHBondContact O-CB 3.39Å; I470-Y474 PolarHBondContact O-N 3.1Å; W471-Y474 HydrophobicContact CE3-CD1 4.13Å; W471-Y474 HydrophobicContact CZ3-CD1 4.21Å; W471-Y474 HydrophobicContact CZ3-CE1 4.24Å; W471-Y474 WeakPolarHBondContact O-CB 3.44Å; W471-Y474 PolarHBondContact O-N 2.05Å; D472-Y474 VanDerWaalsContact C-N 3.33Å; D472-Y474 PolarHBondContact O-N 3.08Å; Y474-L476 VanDerWaalsContact C-N 3.34Å; Y474-L476 PolarHBondContact O-N 2.87Å; Y474-V477 PolarHBondContact O-N 3.47Å; Y474-N478 HydrophobicContact CE2-CB 4.32Å; Y474-N478 WeakPolarHBondContact O-CB 3.28Å; Y474-N478 PolarHBondContact O-N 3.38Å
475R82.4Confident79.2Confident105 Ų10562.4 Ų62.440%0.39629%0.294SS..Hα-helixtrans-63.4-40.9179.4-78.9-158.268.5174.44.2111.8W471 D472 N478 N479W471-R475 HydrophobicContact CD2-CG 4.37Å; W471-R475 HydrophobicContact CZ2-CG 4.19Å; W471-R475 VanDerWaalsContact NE1-CD 3.34Å; W471-R475 WeakPolarHBondContact O-CG 3.4Å; W471-R475 PolarHBondContact O-N 2.82Å; D472-R475 PolarHBondContact O-N 2.04Å; R475-N478 PolarHBondContact O-N 3.21Å; R475-N479 WeakPolarHBondContact O-CB 3.31Å; R475-N479 PolarHBondContact O-N 3.49Å; R475-N479 PolarHBondContact O-ND2 3.49Å
476L81.1Confident78.1Confident117 Ų11767.5 Ų67.561%0.61331%0.311SS*.Hα-helixtrans-57.8-50.9176.3-174.865.9000110.5D472 R473 Y474 N478 N479 T480D472-L476 WeakPolarHBondContact O-CB 3.24Å; D472-L476 PolarHBondContact O-N 2.79Å; R473-L476 PolarHBondContact O-N 2.76Å; Y474-L476 VanDerWaalsContact C-N 3.34Å; Y474-L476 PolarHBondContact O-N 2.87Å; L476-N478 PolarHBondContact O-N 3.04Å; L476-N479 PolarHBondContact O-N 2.78Å; L476-T480 PolarHBondContact O-N 3.25Å; L476-T480 PolarHBondContact O-OG1 2.93Å
477V75.8Confident77.3Confident35 Ų3570.2 Ų70.221%0.21233%0.325CS..Hα-helixtrans-61.8-41.8178.8174.90000111.9W215 Y216 R473 Y474 T480 S481W215-V477 HydrophobicContact CH2-CG1 4.38Å; W215-V477 HydrophobicContact CH2-CG2 4.07Å; W215-V477 HydrophobicContact CZ2-CG1 4.4Å; W215-V477 HydrophobicContact CZ2-CG2 3.79Å; Y216-V477 HydrophobicContact CD1-CG1 3.73Å; Y216-V477 HydrophobicContact CG-CG1 3.9Å; R473-V477 WeakPolarHBondContact O-CG2 3.47Å; R473-V477 PolarHBondContact O-N 2.81Å; R473-V477 VanDerWaalsContact O-N 3.15Å; Y474-V477 PolarHBondContact O-N 3.47Å; V477-T480 PolarHBondContact O-N 2.85Å; V477-S481 WeakPolarHBondContact O-CB 3.18Å; V477-S481 PolarHBondContact O-N 3.16Å
478N74.5Confident76.4Confident48 Ų4875.5 Ų75.526%0.25735%0.348SS..Hα-helixtrans-67.5-38.9179.2-167.617.1000112.2Y474 R475 L476 K482Y474-N478 HydrophobicContact CE2-CB 4.32Å; Y474-N478 WeakPolarHBondContact O-CB 3.28Å; Y474-N478 PolarHBondContact O-N 3.38Å; R475-N478 PolarHBondContact O-N 3.21Å; L476-N478 PolarHBondContact O-N 3.04Å; N478-K482 WeakPolarHBondContact O-CG 3.16Å; N478-K482 PolarHBondContact O-N 3.3Å
479N76.1Confident75.5Confident78 Ų7882.2 Ų82.242%0.41737%0.37SS..Hα-helixtrans-67.1-44.6176.3-73.3-15000111.3R475 L476 S481 K482 Y483R475-N479 WeakPolarHBondContact O-CB 3.31Å; R475-N479 PolarHBondContact O-N 3.49Å; R475-N479 PolarHBondContact O-ND2 3.49Å; L476-N479 PolarHBondContact O-N 2.78Å; N479-S481 PolarHBondContact O-N 3.32Å; N479-K482 PolarHBondContact O-N 2.83Å; N479-Y483 WeakPolarHBondContact O-CB 3.44Å; N479-Y483 PolarHBondContact O-N 2.91Å
480T73.3Confident74.9Confident54 Ų5483.9 Ų83.933%0.33138%0.378SS..Hα-helixtrans-59.4-46.8174.9-56.80000110.9L476 V477 K482 Y483 T484L476-T480 PolarHBondContact O-N 3.25Å; L476-T480 PolarHBondContact O-OG1 2.93Å; V477-T480 PolarHBondContact O-N 2.85Å; T480-K482 PolarHBondContact O-N 3.35Å; T480-Y483 PolarHBondContact O-N 2.85Å; T480-T484 PolarHBondContact O-N 3.15Å; T480-T484 PolarHBondContact O-OG1 3.02Å
481S67Low74Confident15 Ų1588.8 Ų88.811%0.10540%0.401CS..Hα-helixtrans-60.5-41.6177.2-1720000112.8V477 N479 R485V477-S481 WeakPolarHBondContact O-CB 3.18Å; V477-S481 PolarHBondContact O-N 3.16Å; N479-S481 PolarHBondContact O-N 3.32Å; S481-R485 WeakPolarHBondContact O-CG 3.45Å; S481-R485 PolarHBondContact O-N 3.35Å
482K68.6Low73.2Confident125 Ų12593.5 Ų93.554%0.54342%0.424SS..Hα-helixtrans-64.4-42.8175.2-77176.6-176.6177.60112.2N478 N479 T480 R485 R486N478-K482 WeakPolarHBondContact O-CG 3.16Å; N478-K482 PolarHBondContact O-N 3.3Å; N479-K482 PolarHBondContact O-N 2.83Å; T480-K482 PolarHBondContact O-N 3.35Å; K482-R485 PolarHBondContact O-N 3.31Å; K482-R486 WeakPolarHBondContact O-CB 3.45Å; K482-R486 PolarHBondContact O-N 3.42Å
483Y58.4Low72.6Confident160 Ų16094.1 Ų94.163%0.62743%0.426SS*.Hα-helixtrans-64.1-47.3178-173.8-104.6000111.3N479 T480 R485 R486 I487N479-Y483 WeakPolarHBondContact O-CB 3.44Å; N479-Y483 PolarHBondContact O-N 2.91Å; T480-Y483 PolarHBondContact O-N 2.85Å; Y483-R485 PolarHBondContact O-N 3.03Å; Y483-R486 PolarHBondContact O-N 3.46Å; Y483-R486 VanDerWaalsContact O-N 3.1Å; Y483-I487 HydrophobicContact CD1-CD1 3.71Å; Y483-I487 HydrophobicContact CD1-CG1 4.46Å; Y483-I487 HydrophobicContact CE1-CD1 3.18Å; Y483-I487 HydrophobicContact CE1-CG1 4.18Å; Y483-I487 HydrophobicContact CE2-CD1 4.38Å; Y483-I487 HydrophobicContact CG-CD1 4.5Å; Y483-I487 PolarHBondContact O-N 2.9Å
484T66.9Low71.7Confident57 Ų5793.2 Ų93.235%0.3543%0.432SS..Hα-helixtrans-59.7-42.7175.8-51.90000112.2T480 R486 I487 K488T480-T484 PolarHBondContact O-N 3.15Å; T480-T484 PolarHBondContact O-OG1 3.02Å; T484-R486 VanDerWaalsContact C-N 3.32Å; T484-R486 PolarHBondContact O-N 2.63Å; T484-I487 PolarHBondContact O-N 3.19Å; T484-K488 WeakPolarHBondContact O-CG 3.18Å; T484-K488 PolarHBondContact O-N 3.13Å
485R62.4Low70.8Confident121 Ų12198.7 Ų98.746%0.45746%0.457SS..Hα-helixtrans-66.1-33.1175.6-73-178.3-154-174.32.3113S481 K482 Y483 R489S481-R485 WeakPolarHBondContact O-CG 3.45Å; S481-R485 PolarHBondContact O-N 3.35Å; K482-R485 PolarHBondContact O-N 3.31Å; Y483-R485 PolarHBondContact O-N 3.03Å; R485-R489 PolarHBondContact O-N 2.81Å; R485-R489 VanDerWaalsContact O-N 3.09Å
486R66.4Low69.6Low178 Ų178100.7 Ų100.767%0.67247%0.472SS*.Hα-helixtrans-71.6-42.2178.1-162.5174.1-173.81700.6110.8K482 Y483 T484 R489 I490K482-R486 WeakPolarHBondContact O-CB 3.45Å; K482-R486 PolarHBondContact O-N 3.42Å; Y483-R486 PolarHBondContact O-N 3.46Å; Y483-R486 VanDerWaalsContact O-N 3.1Å; T484-R486 VanDerWaalsContact C-N 3.32Å; T484-R486 PolarHBondContact O-N 2.63Å; R486-R489 PolarHBondContact O-N 3.23Å; R486-I490 HydrophobicContact CG-CD1 4.25Å; R486-I490 VanDerWaalsContact O-CG1 3.29Å; R486-I490 WeakPolarHBondContact O-CG1 3.43Å; R486-I490 PolarHBondContact O-N 2.91Å
487I73.1Confident68.4Low57 Ų5799.8 Ų99.829%0.29247%0.472SS..Hα-helixtrans-60.5-48.2172.7-70.1179.3000110.8Y483 T484 R489 I490 Q491Y483-I487 HydrophobicContact CD1-CD1 3.71Å; Y483-I487 HydrophobicContact CD1-CG1 4.46Å; Y483-I487 HydrophobicContact CE1-CD1 3.18Å; Y483-I487 HydrophobicContact CE1-CG1 4.18Å; Y483-I487 HydrophobicContact CE2-CD1 4.38Å; Y483-I487 HydrophobicContact CG-CD1 4.5Å; Y483-I487 PolarHBondContact O-N 2.9Å; T484-I487 PolarHBondContact O-N 3.19Å; I487-R489 VanDerWaalsContact C-N 3.34Å; I487-R489 PolarHBondContact O-N 3.3Å; I487-I490 PolarHBondContact O-N 3.24Å; I487-I490 VanDerWaalsContact O-N 3.17Å; I487-Q491 HydrophobicContact CG2-CG 4.38Å; I487-Q491 WeakPolarHBondContact O-CG 3.39Å; I487-Q491 PolarHBondContact O-N 3.14Å
488K72.3Confident67.3Low111 Ų111103.7 Ų103.748%0.48350%0.496SS..Hα-helixtrans-57.2-44.3177.5-76.9-172.8177.1-170.30112.3T484 Q491 E492T484-K488 WeakPolarHBondContact O-CG 3.18Å; T484-K488 PolarHBondContact O-N 3.13Å; K488-Q491 WeakPolarHBondContact O-CB 3.44Å; K488-Q491 PolarHBondContact O-N 3.28Å; K488-E492 WeakPolarHBondContact O-CG 3.21Å; K488-E492 PolarHBondContact O-N 2.94Å
489R68.7Low66.1Low161 Ų161106.7 Ų106.761%0.60852%0.516SS*.Hα-helixtrans-64.9-38.6175.7-89-168.6-82176.3-8113.7R485 R486 I487 Q491 E492 I493R485-R489 PolarHBondContact O-N 2.81Å; R485-R489 VanDerWaalsContact O-N 3.09Å; R486-R489 PolarHBondContact O-N 3.23Å; I487-R489 VanDerWaalsContact C-N 3.34Å; I487-R489 PolarHBondContact O-N 3.3Å; R489-Q491 VanDerWaalsContact C-N 3.31Å; R489-E492 PolarHBondContact O-N 2.8Å; R489-I493 VanDerWaalsContact O-CG1 3.28Å; R489-I493 WeakPolarHBondContact O-CG1 3.43Å; R489-I493 PolarHBondContact O-N 3.41Å
490I74.7Confident64.7Low103 Ų103108.5 Ų108.553%0.52853%0.53SS..Hα-helixtrans-65.9-37.8175.7-68.1165.9000110.5R486 I487 S494R486-I490 HydrophobicContact CG-CD1 4.25Å; R486-I490 VanDerWaalsContact O-CG1 3.29Å; R486-I490 WeakPolarHBondContact O-CG1 3.43Å; R486-I490 PolarHBondContact O-N 2.91Å; I487-I490 PolarHBondContact O-N 3.24Å; I487-I490 VanDerWaalsContact O-N 3.17Å; I490-S494 WeakPolarHBondContact O-CB 3.26Å; I490-S494 PolarHBondContact O-N 2.81Å; I490-S494 PolarHBondContact O-OG 3.44Å
491Q70.4Confident63.1Low109 Ų109111.9 Ų111.951%0.50955%0.55SS.*Hα-helixtrans-66.8-35.5173.9-72.8176.1-27.100112.6I487 K488 R489 S494 K495I487-Q491 HydrophobicContact CG2-CG 4.38Å; I487-Q491 WeakPolarHBondContact O-CG 3.39Å; I487-Q491 PolarHBondContact O-N 3.14Å; K488-Q491 WeakPolarHBondContact O-CB 3.44Å; K488-Q491 PolarHBondContact O-N 3.28Å; R489-Q491 VanDerWaalsContact C-N 3.31Å; Q491-S494 WeakPolarHBondContact CA-OG 3.28Å; Q491-S494 PolarHBondContact O-OG 3.03Å; Q491-K495 VanDerWaalsContact O-CG 3.29Å; Q491-K495 WeakPolarHBondContact O-CG 3.46Å; Q491-K495 PolarHBondContact O-N 3.04Å; Q491-K495 VanDerWaalsContact O-N 3.17Å
492E72.1Confident61.8Low115 Ų115117.4 Ų117.454%0.53758%0.584SS.*Hα-helixtrans-70.2-43174.7-73.9164.7-178.400112.2K488 R489 K495 M496K488-E492 WeakPolarHBondContact O-CG 3.21Å; K488-E492 PolarHBondContact O-N 2.94Å; R489-E492 PolarHBondContact O-N 2.8Å; E492-K495 PolarHBondContact O-N 2.98Å; E492-M496 PolarHBondContact O-N 3.05Å
493I72.9Confident60.5Low109 Ų109118 Ų11856%0.55960%0.598SS**Hα-helixtrans-63.5-44.5177.3-68.2165.3000110.7R489 K495 M496 T497R489-I493 VanDerWaalsContact O-CG1 3.28Å; R489-I493 WeakPolarHBondContact O-CG1 3.43Å; R489-I493 PolarHBondContact O-N 3.41Å; I493-K495 VanDerWaalsContact C-N 3.31Å; I493-K495 PolarHBondContact O-N 3.5Å; I493-M496 PolarHBondContact O-N 3.48Å; I493-M496 VanDerWaalsContact O-N 3.16Å; I493-T497 PolarHBondContact O-N 3.1Å; I493-T497 PolarHBondContact O-OG1 3.07Å
494S65.7Low59.7Low60 Ų60116.3 Ų116.342%0.4261%0.605SS.*Hα-helixtrans-64.3-33.4177.448.10000113.1I490 Q491 T498I490-S494 WeakPolarHBondContact O-CB 3.26Å; I490-S494 PolarHBondContact O-N 2.81Å; I490-S494 PolarHBondContact O-OG 3.44Å; Q491-S494 WeakPolarHBondContact CA-OG 3.28Å; Q491-S494 PolarHBondContact O-OG 3.03Å; S494-T498 PolarHBondContact O-OG1 3.11Å
495K64.5Low58.4Low155 Ų155119.2 Ų119.267%0.67462%0.623SS**Hα-helixtrans-67-37.9171.4-75.1177.2180-1730112.7Q491 E492 I493 T499Q491-K495 VanDerWaalsContact O-CG 3.29Å; Q491-K495 WeakPolarHBondContact O-CG 3.46Å; Q491-K495 PolarHBondContact O-N 3.04Å; Q491-K495 VanDerWaalsContact O-N 3.17Å; E492-K495 PolarHBondContact O-N 2.98Å; I493-K495 VanDerWaalsContact C-N 3.31Å; I493-K495 PolarHBondContact O-N 3.5Å; K495-T499 PolarHBondContact O-OG1 2.98Å; K495-T499 VanDerWaalsContact O-OG1 3.09Å
496M56.1Low57.1Low147 Ų147119.4 Ų119.472%0.72464%0.637SS**Hα-helixtrans-70.3-39.9177.4-84.1-178.2174.700113.3E492 I493 T498 T499E492-M496 PolarHBondContact O-N 3.05Å; I493-M496 PolarHBondContact O-N 3.48Å; I493-M496 VanDerWaalsContact O-N 3.16Å; M496-T498 PolarHBondContact O-N 2.93Å; M496-T499 PolarHBondContact O-N 3.41Å; M496-T499 PolarHBondContact O-OG1 3.47Å; M496-T499 VanDerWaalsContact O-OG1 3.06Å
497T56.3Low55.6Low98 Ų98116.5 Ų116.560%0.60164%0.639SS**Hα-helixtrans-70.7-18.8-177.1-44.60000113.4I493I493-T497 PolarHBondContact O-N 3.1Å; I493-T497 PolarHBondContact O-OG1 3.07Å
498T53.9Low53.7Low116 Ų116119.7 Ų119.771%0.71266%0.662SS**THydrogen-bonded Turntrans-88-6.3-178.6-39.80000112.9S494 M496S494-T498 PolarHBondContact O-OG1 3.11Å; M496-T498 PolarHBondContact O-N 2.93Å
499T48.7Very low51.8Low111 Ų111120 Ų12068%0.68167%0.673SS**THydrogen-bonded Turntrans-995.1-176.68.30000114.8K495 M496K495-T499 PolarHBondContact O-OG1 2.98Å; K495-T499 VanDerWaalsContact O-OG1 3.09Å; M496-T499 PolarHBondContact O-N 3.41Å; M496-T499 PolarHBondContact O-OG1 3.47Å; M496-T499 VanDerWaalsContact O-OG1 3.06Å
500T45.9Very low50.1Low117 Ų117118 Ų11872%0.71868%0.679SS**SBendtrans-120.332.7-171.6-24.80000113.8
501T41.1Very low48.1Very low124 Ų124119.2 Ų119.276%0.76169%0.691SS**  trans-151.288.9174.3-3.80000110.6
502T39.6Very low46.2Very low131 Ų131118.2 Ų118.280%0.80470%0.702SS**  trans-150.776.4172.7-21.50000110.7
503T41.1Very low44.2Very low137 Ų137122.1 Ų122.184%0.8472%0.717SS**  trans-165.5132.3146.69.70000112
504T40.3Very low41.9Very low126 Ų126122.4 Ų122.477%0.77373%0.729SS**  trans80.189.1157.738.70000121.8
505T39.7Very low40.3Very low118 Ų118127.3 Ų127.372%0.72475%0.745SS**  64.5117.312035.10000124
506T35.8Very low38.8Very low124 Ų124125.7 Ų125.776%0.76175%0.748SS**  trans59.3130.4139.543.10000118.7
507T34.6Very low37.5Very low117 Ų117123.3 Ų123.372%0.71875%0.746SS**  cis-170152.331.4-6.80000109.2
508T33.2Very low36.4Very low124 Ų124126.7 Ų126.776%0.76176%0.755SS**  trans59.6130.6158.753.80000117.6
509T32.2Very low35.3Very low118 Ų118125.6 Ų125.672%0.72475%0.748SS**  cis-173.4162.132.4-7.60000108.9
510T33.6Very low34.6Very low118 Ų118124.8 Ų124.872%0.72474%0.743SS**  trans78.3114.5151.448.80000123
511T32.8Very low34.1Very low129 Ų129123 Ų12379%0.79173%0.732SS**  79.1109.8129.655.30000122.9
512A29.3Very low33.7Very low89 Ų89120 Ų12074%0.73672%0.716SS**  64.6108.8124.500000121
513K30.5Very low33.3Very low196 Ų196116.7 Ų116.785%0.85270%0.698SS**  164.6113.9109-90.6173.5179.4176.60112.3
514S25.9Very low33.1Very low115 Ų115115.5 Ų115.580%0.80469%0.686SS**  trans-94.3112.4159.561.10000109.1
515Q30.7Very low32.6Very low163 Ų163118.4 Ų118.476%0.76268%0.682SS**  trans-165.89.9169.1-116.8161.58.200117.2
516T32.7Very low32.2Very low122 Ų122119.6 Ų119.675%0.74868%0.679SS**SBendtrans-99.5-5.7-171.428.30000116.2
517S30.5Very low32.1Very low96 Ų96119.4 Ų119.467%0.67167%0.673SS**SBendtrans-93.2-16.1-173-47.80000115.3
518H31.9Very low32Very low169 Ų169117.2 Ų117.278%0.78266%0.663SS**SBendtrans-90.3-16.5-174.9-81.5-78.6000114.8
519T31.1Very low31.9Very low94 Ų94116.6 Ų116.658%0.57766%0.655SS**Hα-helixtrans-84.3-22.9-174.5-30.50000113.5S522 S523T519-S522 PolarHBondContact O-OG 3.39Å; T519-S522 VanDerWaalsContact O-OG 3.07Å; T519-S523 PolarHBondContact O-OG 2.98Å
520V34.9Very low32Very low93 Ų93117.8 Ų117.856%0.56466%0.655SS**Hα-helixtrans-80.4-29.7-177.6-178.40000111.6I524V520-I524 HydrophobicContact CG1-CD1 4.44Å; V520-I524 WeakPolarHBondContact O-CG1 3.37Å
521T34.6Very low32Very low81 Ų81117.5 Ų117.550%0.49765%0.653SS.*Hα-helixtrans-77.6-25.5-177.3-28.60000112.7
522S31.7Very low31.9Very low61 Ų61119.4 Ų119.443%0.42765%0.653SS.*Hα-helixtrans-75.5-38.3176.860.10000112.5T519 I524 R525 Q526T519-S522 PolarHBondContact O-OG 3.39Å; T519-S522 VanDerWaalsContact O-OG 3.07Å; S522-I524 VanDerWaalsContact C-N 3.31Å; S522-I524 PolarHBondContact O-N 2.83Å; S522-R525 PolarHBondContact O-N 3.26Å; S522-Q526 PolarHBondContact O-N 3.23Å; S522-Q526 VanDerWaalsContact O-N 3.15Å
523S32.7Very low32Very low61 Ų61121 Ų12143%0.42765%0.654SS.*Hα-helixtrans-67.1-30.2177.7-53.20000113.1T519 L527T519-S523 PolarHBondContact O-OG 2.98Å; S523-L527 WeakPolarHBondContact O-CD1 3.44Å; S523-L527 PolarHBondContact O-N 2.7Å
524I35.9Very low32.1Very low112 Ų112116.9 Ų116.957%0.57465%0.647SS**Hα-helixtrans-73.5-35.8177-65.3172.1000111.4V520 S522 L527 S528V520-I524 HydrophobicContact CG1-CD1 4.44Å; V520-I524 WeakPolarHBondContact O-CG1 3.37Å; S522-I524 VanDerWaalsContact C-N 3.31Å; S522-I524 PolarHBondContact O-N 2.83Å; I524-L527 PolarHBondContact O-N 3.19Å; I524-S528 PolarHBondContact O-N 3.35Å
525R30.6Very low32.5Very low186 Ų186117.5 Ų117.570%0.70265%0.648SS**Hα-helixtrans-70.6-30.2174.1-76-177.7178.6169.8-0.4113.1S522 S528S522-R525 PolarHBondContact O-N 3.26Å; R525-S528 PolarHBondContact O-OG 2.82Å
526Q31.9Very low32.6Very low143 Ų143116 Ų11667%0.66864%0.644SS**Hα-helixtrans-70.6-31.4174-77.7-171.7-3200112.6S522S522-Q526 PolarHBondContact O-N 3.23Å; S522-Q526 VanDerWaalsContact O-N 3.15Å
527L32.3Very low32.7Very low120 Ų120116.1 Ų116.163%0.62865%0.647SS**Hα-helixtrans-75.3-28.7175.1-98.293.5000113.8S523 I524 N529S523-L527 WeakPolarHBondContact O-CD1 3.44Å; S523-L527 PolarHBondContact O-N 2.7Å; I524-L527 PolarHBondContact O-N 3.19Å; L527-N529 VanDerWaalsContact C-N 3.3Å; L527-N529 PolarHBondContact O-N 3.02Å
528S32.4Very low32.9Very low71 Ų71119.3 Ų119.350%0.49765%0.651SS.*Hα-helixtrans-70.8-25.5177.457.30000113.3I524 R525 I530I524-S528 PolarHBondContact O-N 3.35Å; R525-S528 PolarHBondContact O-OG 2.82Å; S528-I530 VanDerWaalsContact C-N 3.34Å
529N32.7Very low33Very low112 Ų112121.9 Ų121.960%0.59965%0.654SS**THydrogen-bonded Turntrans-80.8-13.1-179.7-70.3-3.4000113.6L527 V531L527-N529 VanDerWaalsContact C-N 3.3Å; L527-N529 PolarHBondContact O-N 3.02Å; N529-V531 VanDerWaalsContact C-N 3.3Å
530I33.4Very low33Very low143 Ų143126 Ų12673%0.73366%0.664SS**THydrogen-bonded Turntrans-83.9-9.5177.8-63.1170.2000111.2S528S528-I530 VanDerWaalsContact C-N 3.34Å
531V33.7Very low32.7Very low112 Ų112127.6 Ų127.668%0.67967%0.669SS**  trans-111.248.6-177.8-1660000110.8N529N529-V531 VanDerWaalsContact C-N 3.3Å
532Q31.5Very low32.6Very low168 Ų168132.8 Ų132.879%0.78569%0.685SS**  trans-93.9108163.6-87171.3-29.600108.6
533T30.9Very low32.6Very low122 Ų122137.5 Ų137.575%0.74870%0.704SS**PPolyproline II helixtrans-76.6137.8174.8400000109.6
534P32.4Very low32.5Very low111 Ų111144.4 Ų144.472%0.72173%0.726SS**PPolyproline II helixtrans-66.3145.9170.327.3-32.2000110I536P534-I536 PolarHBondContact O-N 3.04Å
535P34.3Very low32.2Very low127 Ų127147.5 Ų147.583%0.82574%0.738SS**PPolyproline II helixtrans-65.8133.5-177.826.4-32.7000111.1
536I33Very low32.1Very low133 Ų133144.9 Ų144.968%0.68274%0.738SS**PPolyproline II helixtrans-70.7132172.2-62.2167.2000107.8P534 E538P534-I536 PolarHBondContact O-N 3.04Å; I536-E538 PolarHBondContact O-N 3.02Å; I536-E538 VanDerWaalsContact O-N 3.13Å
537P35.2Very low32.1Very low123 Ų123146.1 Ų146.180%0.79974%0.744SS**PPolyproline II helixtrans-64.7117.5173.616.2-17.6000109.8
538E34.2Very low32.1Very low163 Ų163148.3 Ų148.376%0.76275%0.751SS**PPolyproline II helixtrans-68.6131.1178.5-154.9176.8-151.800110I536 K540I536-E538 PolarHBondContact O-N 3.02Å; I536-E538 VanDerWaalsContact O-N 3.13Å; E538-K540 PolarHBondContact O-N 3.41Å
539R33.2Very low31.9Very low223 Ų223149.6 Ų149.684%0.84276%0.759SS**  trans-68.890.1179.2-171.5-176.5-164.7162.79.4110.3D541R539-D541 IonicContact NE-OD2 3.36Å; R539-D541 PolarHBondContact O-N 3.36Å
540K32.1Very low31.8Very low182 Ų182151.4 Ų151.479%0.79177%0.769SS**  trans-85.979.2172.2-73.9-174.1178.5178.30111.3E538E538-K540 PolarHBondContact O-N 3.41Å
541D29.1Very low31.8Very low125 Ų125153.4 Ų153.467%0.66878%0.775SS**  trans-107.685.3160.5-70.7-36.2000108.4R539R539-D541 IonicContact NE-OD2 3.36Å; R539-D541 PolarHBondContact O-N 3.36Å
542K31.1Very low31.6Very low191 Ų191152.6 Ų152.683%0.8377%0.774SS**SBendtrans175.4123.9152-102.8166.9-175.9-173.10112.1
543I32.1Very low31.5Very low159 Ų159150.9 Ų150.982%0.81578%0.776SS**  trans80.593.1154.4-48154.3000116
544K31.1Very low31.3Very low206 Ų206150.1 Ų150.190%0.89678%0.775SS**  -169.6111.1122.8-109.1-180176.9-1700110.9
545H28.6Very low31.1Very low177 Ų177149.8 Ų149.882%0.81978%0.776SS**  trans-73.5153.3160.4-113.1-86000109.2
546N28.5Very low30.9Very low131 Ų131151 Ų15170%0.70178%0.775SS**  trans73.4104.1161.5-57.1-3.9000116.6
547E33.3Very low30.5Very low170 Ų170152.5 Ų152.579%0.79478%0.784SS**  177.9129.8113.7-96.8163.7176.300110.1
548E31.6Very low30.2Very low166 Ų166155.8 Ų155.878%0.77679%0.789SS**  trans69.199.8147.6-60172.1171.600117.8
549S28.3Very low30Very low97 Ų97153 Ų15368%0.67879%0.787SS**  52.892.663.182.80000114.7
550N30.5Very low29.8Very low151 Ų151148.9 Ų148.981%0.80778%0.782SS**  158.9148.6121.1-79.6-28.4000112.7
551Q32.5Very low29.8Very low184 Ų184149.5 Ų149.586%0.8679%0.787SS**  trans80.888.5171.9-66.7168.8-9.700115.9
552S30.6Very low30.1Very low95 Ų95150.1 Ų150.166%0.66479%0.789SS**  89.2110.269.765.50000114.1
553T28.3Very low30.1Very low133 Ų133147 Ų14782%0.81679%0.785SS**  trans58.3129.7140.956.30000117.7
554S27.7Very low30.1Very low105 Ų105148.9 Ų148.973%0.73478%0.782SS**  cis-178.215828.643.70000110.2
555S27.6Very low30.1Very low105 Ų105146.3 Ų146.373%0.73478%0.777SS**  trans92.1134.715478.70000119.9
556L29.3Very low30.2Very low153 Ų153147.8 Ų147.880%0.80178%0.775SS**  trans97.695.2158.5-68.5138.1000119
557N25Very low30.3Very low164 Ų164147.8 Ų147.888%0.87778%0.78SS**  trans21.5108.8134.6-70.4-10.2000118
558E30.1Very low30.3Very low192 Ų192147.5 Ų147.590%0.89778%0.783SS**  trans-143.5126.1156-148.2168-166.500111.1
559S28.5Very low30.1Very low104 Ų104147.4 Ų147.473%0.72779%0.788SS**  trans-69.3127.417242.60000111.5
560D30.6Very low30.3Very low137 Ų137149.7 Ų149.773%0.73380%0.798SS**  trans-170.9118150.7-103.3-19.4000112
561H31.3Very low30.3Very low195 Ų195147.5 Ų147.590%0.90379%0.794SS**  trans-131.293.6159.5-83.8-53.5000110.2
562I34.4Very low30.3Very low138 Ų138143.6 Ų143.671%0.70879%0.787SS**  trans-83.4114.1161.5-66.3172.9000107.8R564I562-R564 PolarHBondContact O-N 3.21Å
563V31.8Very low30.2Very low124 Ų124148.5 Ų148.575%0.75280%0.796SS**  trans-83.6102169.2177.90000109.1I565V563-I565 HydrophobicContact CG1-CG1 3.95Å
564R31.3Very low30.3Very low200 Ų200149.6 Ų149.676%0.75579%0.794SS**  trans-87.1111.7158.1-90-177.6-177.5154.73.5108.3I562 R566I562-R564 PolarHBondContact O-N 3.21Å; R564-R566 PolarHBondContact O-N 3.43Å
565I32.8Very low30.4Very low152 Ų152151 Ų15178%0.77979%0.789SS**  trans-80.7105.5163-59.4-178.6000107.3V563V563-I565 HydrophobicContact CG1-CG1 3.95Å
566R30.7Very low30.5Very low208 Ų208154 Ų15479%0.78579%0.791SS**  trans-108.9122160.2-92.8-176.1176.8159.4-1.9107.9R564R564-R566 PolarHBondContact O-N 3.43Å
567T30.7Very low30.6Very low130 Ų130158 Ų15880%0.79880%0.798SS**  trans-66124.8168.739.30000110.2
568L32.2Very low30.8Very low164 Ų164154.7 Ų154.786%0.85979%0.787SS**  trans-135.8113.1163.5-78.2174.1000109.4
569N27.4Very low31Very low165 Ų165154.3 Ų154.388%0.88279%0.785SS**  trans-72.5120.1160.8-99.9-13.5000108.5
570V33.8Very low31.2Very low145 Ų145154 Ų15488%0.87978%0.783SS**  trans-148.5134.6147.7-177.70000109.5
571S29.5Very low31.4Very low105 Ų105155.4 Ų155.473%0.73479%0.79SS**  trans-79.6159.7-177.9179.50000113.4
572S32.9Very low31.5Very low102 Ų102150.9 Ų150.971%0.71378%0.778SS**  trans103.4108.4146.377.40000121
573K27.9Very low31.2Very low198 Ų198149.2 Ų149.286%0.86178%0.778SS**  76.5138.3125-90.4-176.9174.7-177.60123.1
574M30.3Very low31.4Very low155 Ų155152.2 Ų152.276%0.76478%0.784SS**  trans78.8136.1158.8-74.8176.5139.700117.1
575E30.8Very low31.5Very low135 Ų135147 Ų14763%0.63178%0.779SS**  cis-170.6135-10-123.7163.9-166.400106.1
576Q28.4Very low31.5Very low167 Ų167144.9 Ų144.978%0.7878%0.777SS**  trans52.4113.2140.2-72.1177.8-23.600120.9
577Y31.8Very low31.6Very low239 Ų239141.3 Ų141.394%0.93777%0.772SS**  -150.4133.8120-113.7-83.9000110.1
578S29.3Very low31.7Very low93 Ų93144.9 Ų144.965%0.6577%0.772SS**  trans-93.7149.2-165.7460000114.1
579Q34.7Very low31.4Very low184 Ų184142.8 Ų142.886%0.8677%0.771SS**  trans169.497.7137.5-94.9166.51.800108.3
580S32.5Very low31.7Very low97 Ų97139.4 Ų139.468%0.67876%0.76SS**  73.1105.183.169.60000114.9
581L34.4Very low31.5Very low167 Ų167143.7 Ų143.787%0.87476%0.761SS**  -179.4157.1111.8-110.1103000111.3
582P33.4Very low31.8Very low101 Ų101146.1 Ų146.166%0.65677%0.766SS**  trans-127.7166.5-138.543.3-28.4000116.6
583S28.2Very low31.5Very low102 Ų102145.9 Ų145.971%0.71376%0.764SS**  trans46.6119.3137.666.20000122.7
584Q36.5Very low31.8Very low188 Ų188146 Ų14688%0.87976%0.764SS**  -140101.7128.8-83.3-174.8-14.400106.4
585S33.4Very low32Very low91 Ų91145 Ų14564%0.63676%0.762SS**  73.9108.378.368.80000114.9
586S31.7Very low31.9Very low106 Ų106145.6 Ų145.674%0.74177%0.77SS**  trans76.8145.613183.70000115.5
587I34.6Very low32.1Very low133 Ų133146.1 Ų146.168%0.68278%0.777SS**  cis-163.813020-50.6170.4000103.3
588Y31Very low31.9Very low206 Ų206145.2 Ų145.281%0.80877%0.774SS**  174.3127.293-115.4-84000108.8
589S26.9Very low32Very low119 Ų119147.6 Ų147.683%0.83278%0.779SS**  trans-120127.8158.772.40000108.6
590S34Very low32Very low94 Ų94147.9 Ų147.966%0.65778%0.78SS**  trans-153.6107.4162.4390000105
591R29.7Very low31.7Very low236 Ų236149.7 Ų149.789%0.89179%0.791SS**  3495.474.9-95.4-174.3-179.5176.60.6112.3
592N34.5Very low31.7Very low156 Ų156146.1 Ų146.183%0.83478%0.78SS**  -173.7143.5115.5-94.1-11.6000113.1
593S27.7Very low31.7Very low96 Ų96150 Ų15067%0.67179%0.789SS**  trans-58141.9172.949.10000115.3
594F34.1Very low32Very low200 Ų200149.2 Ų149.288%0.87778%0.784SS**  trans-154.999.9149.3-106.9-86.7000107.1
595N34.2Very low32.1Very low134 Ų134146 Ų14672%0.71777%0.773SS**  67105.594.8-84.6-6000115.7
596N28.6Very low32.2Very low148 Ų148151.8 Ų151.879%0.79178%0.781SS**  trans23.1130137.8-67-13.3000120.1
597L32.1Very low32.4Very low178 Ų178153.7 Ų153.793%0.93278%0.782SS**  trans-154.2101.1133.4-135.778.5000111
598Y29.4Very low32.5Very low220 Ų220152.6 Ų152.686%0.86379%0.787SS**  trans-108.9130.4151.3-106.7-90.5000104.7
599D30Very low32.8Very low144 Ų144146.8 Ų146.877%0.7778%0.776SS**  trans159.1122.5144.6-85.5-21.1000110.6
600H34Very low33.4Very low189 Ų189147.8 Ų147.888%0.87577%0.772SS**  trans-168.1103.5131.9-102.6-59.1000109.9
601C26.3Very low33.5Very low135 Ų135149.8 Ų149.891%0.91278%0.775SS**  trans-123.5131.8154.5-1030000107.4
602S34.5Very low33.9Very low92 Ų92143.3 Ų143.364%0.64377%0.766SS**  trans-155.2121.1163.853.90000110.1
603H35.2Very low33.8Very low184 Ų184146.8 Ų146.885%0.85277%0.768SS**  trans48.4140.9138.6-72.8-83.6000119.7
604S34.5Very low34.2Very low85 Ų85148 Ų14859%0.59477%0.765SS**  cis-177.5167.80.942.90000107.8
605D36.7Very low34.2Very low121 Ų121148.5 Ų148.565%0.64776%0.761SS**  trans95.198.4153.1-58.7-52.3000122.1
606R36.3Very low34.1Very low212 Ų212148.8 Ų148.880%0.876%0.761SS**  80.4125.1115.5-71.4176-173.6-159-4.2121.8
607N36.3Very low34.3Very low146 Ų146148.5 Ų148.578%0.78176%0.759SS**  trans84.4108.2144.2-65-7.5000117.6
608S36.2Very low34.6Very low110 Ų110146.8 Ų146.877%0.76975%0.751SS**  84.9128.294.1-171.60000109.9
609S38.3Very low34.8Very low83 Ų83145 Ų14558%0.5875%0.75SS**  cis173.4159.314.338.20000105.8
610N38Very low35.4Very low141 Ų141142.7 Ų142.775%0.75474%0.743SS**  trans73.5146.7159.1-57.9-20.3000116.4
611N37.2Very low35.6Very low135 Ų135140.1 Ų140.172%0.72274%0.736SS**  cis-171.3155.8-13.7-117.1-24.9000105.7
612S36.9Very low36.4Very low100 Ų100141.6 Ų141.670%0.69973%0.734SS**  trans54.2114.3148.5600000120.6
613R32.9Very low36.4Very low230 Ų230146.3 Ų146.387%0.86874%0.744SS**  67.9130.785-118.6-172.6-164.3178.35.7114.3
614I35.7Very low37Very low121 Ų121147.8 Ų147.862%0.62177%0.765SS**  trans105.2122.1141.5-65.6165.6000118.2
615R34.5Very low37.1Very low211 Ų211150.9 Ų150.980%0.79677%0.774SS**  trans82114.2146.8-77.8170.9-151.1-174.510119
616I32.9Very low37.1Very low139 Ų139152.5 Ų152.571%0.71378%0.78SS**  90.1136.676.2-78-177.8000111
617L32.8Very low37.2Very low142 Ų142149.2 Ų149.274%0.74378%0.779SS**  trans97.8124.5158.4-77.6147.9000119.6
618N38Very low37.2Very low143 Ų143149.4 Ų149.477%0.76578%0.779SS**  trans93.994.9140.2-67.9-8.1000120.8
619Q32.8Very low37.3Very low183 Ų183151.8 Ų151.886%0.85578%0.78SS**  -56.6172.4128.4-110.8179.5-4.700111.3
620P42.9Very low37.2Very low95 Ų95156.4 Ų156.462%0.61779%0.793SS**  cis-140.8-174.12.436.1-13.8000115.7
621N38.2Very low37.2Very low135 Ų135157.5 Ų157.572%0.72280%0.796SS**  trans72.9116.3153.8-63.5-13000119.7
622N44.2Very low37.2Very low165 Ų165159.2 Ų159.288%0.88280%0.802SS**  -161.3136.7113.8-96.1-18.2000112.3
623F34.9Very low37.2Very low192 Ų192164.2 Ų164.284%0.84281%0.81SS**  trans-54.5139.7171.7-85.6-106.9000113
624V46.7Very low37.6Very low214 Ų214158.2 Ų158.2100%1.29781%0.805SS**  -142.10117.9175.20000107.3

Retrieved 624 of 624 residues in 268.8 ms (Link to these results)

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