A0A087YSU8_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087YSU8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 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
1M40.2Very low57.4Low234 Ų234105.9 Ų105.9100%1.15356%0.562SS**  068.6049.6175.8-175.800108.2
2E41.7Very low59.6Low162 Ų16297.1 Ų97.176%0.75752%0.516SS*.  trans-142.424.8-169.4-65.3174.5124.700111.9
3T47.8Very low61.4Low103 Ų10397.6 Ų97.663%0.63251%0.513SS*.  trans-91-18.8-174.848.10000113.8
4L47.5Very low63.1Low153 Ų15395.3 Ų95.380%0.80150%0.5SS*.Hα-helixtrans-79.6-18.6-173.9-65.6178.2000114.5
5S52.6Low64.5Low80 Ų8091.5 Ų91.556%0.55949%0.485SS*.Hα-helixtrans-83.5-29.2179.147.40000112.6S8S5-S8 PolarHBondContact O-OG 3.45Å
6Q52.4Low65.7Low124 Ų12494.4 Ų94.458%0.57949%0.492SS*.Hα-helixtrans-73.6-27-177.8-88.6176.4-23.600113.7S8 I9 L10Q6-S8 VanDerWaalsContact C-N 3.34Å; Q6-S8 PolarHBondContact O-N 3.45Å; Q6-I9 WeakPolarHBondContact O-CG2 2.92Å; Q6-L10 WeakPolarHBondContact O-CG 3.4Å
7D55.2Low66.6Low74 Ų7493.2 Ų93.240%0.39649%0.486SS..Hα-helixtrans-69.6-36.6177.9-63.6-34.8000111.4I9 L10 E11D7-I9 VanDerWaalsContact C-N 3.3Å; D7-I9 PolarHBondContact O-N 3.34Å; D7-L10 PolarHBondContact O-N 3.06Å; D7-L10 VanDerWaalsContact O-N 3.14Å; D7-E11 PolarHBondContact O-N 3.13Å
8S61.2Low67.5Low63 Ų6395.4 Ų95.444%0.44149%0.488SS..Hα-helixtrans-66.9-28.9-178.572.70000113.8S5 Q6 L10 Q13S5-S8 PolarHBondContact O-OG 3.45Å; Q6-S8 VanDerWaalsContact C-N 3.34Å; Q6-S8 PolarHBondContact O-N 3.45Å; S8-L10 VanDerWaalsContact C-N 3.34Å; S8-Q13 PolarHBondContact O-NE2 3.06Å
9I70.6Confident68.2Low96 Ų9691.5 Ų91.549%0.49247%0.467SS..Hα-helixtrans-79.5-19.3177.2-172.4161.8000112.2Q6 D7 E11 I75Q6-I9 WeakPolarHBondContact O-CG2 2.92Å; D7-I9 VanDerWaalsContact C-N 3.3Å; D7-I9 PolarHBondContact O-N 3.34Å; I9-E11 VanDerWaalsContact C-N 3.35Å; I9-I75 HydrophobicContact CG1-CG1 4.36Å
10L77.8Confident68.7Low37 Ų3789.2 Ų89.219%0.19446%0.459CS..THydrogen-bonded Turntrans-91.11.3177.2-62.2179.4000113.5Q6 D7 S8 Y18 Y19 I75 V78 I79Q6-L10 WeakPolarHBondContact O-CG 3.4Å; D7-L10 PolarHBondContact O-N 3.06Å; D7-L10 VanDerWaalsContact O-N 3.14Å; S8-L10 VanDerWaalsContact C-N 3.34Å; L10-Y18 HydrophobicContact CB-CD1 4.36Å; L10-Y18 CarbonylContact O-C 3.58Å; L10-Y18 WeakPolarHBondContact O-CA 3.03Å; L10-Y19 WeakPolarHBondContact O-CD2 3.09Å; L10-Y19 PolarHBondContact O-N 3.46Å; L10-I75 HydrophobicContact CD2-CG2 4.35Å; L10-V78 HydrophobicContact CD1-CG1 3.98Å; L10-V78 HydrophobicContact CD2-CB 3.92Å; L10-V78 HydrophobicContact CD2-CG1 3.65Å; L10-V78 HydrophobicContact CG-CG1 4.33Å; L10-I79 HydrophobicContact CD2-CG1 4.12Å
11E84.3Confident69Low39 Ų3989.6 Ų89.618%0.18247%0.468CS..BIsolated β-bridgetrans-115.3143.7179-68.4175.5-17400111.9D7 I9 Q13 Y18D7-E11 PolarHBondContact O-N 3.13Å; I9-E11 VanDerWaalsContact C-N 3.35Å; E11-Q13 PolarHBondContact O-N 3.05Å; E11-Q13 PolarHBondContact O-NE2 3.36Å; E11-Y18 HydrophobicContact CG-CD1 3.59Å; E11-Y18 HydrophobicContact CG-CD2 4.44Å; E11-Y18 HydrophobicContact CG-CE1 3.56Å; E11-Y18 HydrophobicContact CG-CE2 4.42Å; E11-Y18 HydrophobicContact CG-CG 4.03Å; E11-Y18 WeakPolarHBondContact OE1-CE1 3.43Å; E11-Y18 WeakPolarHBondContact OE1-CE2 3.47Å; E11-Y18 PolarHBondContact OE1-OH 3.21Å
12C83.9Confident70.7Confident0 Ų089.5 Ų89.50%046%0.455CS..  trans-73.4123.3174.21780000111.6I14 C15 F16 N17 Y19 C35 C38C12-I14 PolarHBondContact O-N 3.46Å; C12-C15 PolarHBondContact O-N 3.38Å; C12-F16 WeakPolarHBondContact O-CA 3.48Å; C12-F16 PolarHBondContact O-N 2.71Å; C12-N17 PolarHBondContact N-O 2.66Å; C12-Y19 HydrophobicContact CB-CE1 3.9Å; C12-C35 HydrophobicContact CB-CB 3.74Å; C12-C38 PolarHBondContact SG-SG 2.76Å
13Q83.4Confident72.7Confident104 Ų10484.3 Ų84.349%0.48643%0.428SS..THydrogen-bonded Turntrans-66.51.4-179.2-57-57.7-52.900116.1S8 E11 W53S8-Q13 PolarHBondContact O-NE2 3.06Å; E11-Q13 PolarHBondContact O-N 3.05Å; E11-Q13 PolarHBondContact O-NE2 3.36Å; Q13-W53 HydrophobicContact CB-CZ2 4.36Å
14I84.9Confident74.4Confident65 Ų6584.3 Ų84.333%0.33342%0.416SS..THydrogen-bonded Turntrans-106.9-45.4177.3-55.7-177.2000111C12 C34 M42 P52 W53C12-I14 PolarHBondContact O-N 3.46Å; I14-C34 WeakPolarHBondContact CD1-SG 3.35Å; I14-M42 HydrophobicContact CD1-CE 3.52Å; I14-M42 HydrophobicContact CD1-SD 4.01Å; I14-P52 HydrophobicContact CD1-CB 3.99Å; I14-P52 HydrophobicContact CD1-CG 3.43Å; I14-P52 VanDerWaalsContact CD1-CG 3.43Å; I14-W53 HydrophobicContact CD1-CH2 4.04Å; I14-W53 HydrophobicContact CD1-CZ2 4.06Å; I14-W53 HydrophobicContact CG1-CH2 4.34Å; I14-W53 HydrophobicContact CG1-CZ2 3.94Å
15C84.3Confident76.1Confident39 Ų3977.1 Ų77.126%0.26438%0.379SS..THydrogen-bonded Turntrans-109.2-2.8-176.1680000113.5C12 N17 R23 C38C12-C15 PolarHBondContact O-N 3.38Å; C15-N17 PolarHBondContact O-N 2.83Å; C15-N17 PolarHBondContact O-ND2 2.97Å; C15-R23 PolarHBondContact SG-NH1 3.45Å; C15-C38 PolarHBondContact SG-SG 2.7Å
16F83.8Confident77.7Confident138 Ų13873.5 Ų73.561%0.60535%0.353SS*.  trans50.230.3-178.3-53-78.3000113.7C12C12-F16 WeakPolarHBondContact O-CA 3.48Å; C12-F16 PolarHBondContact O-N 2.71Å
17N81.4Confident79.2Confident74 Ų7469.3 Ų69.340%0.39633%0.334SS..PPolyproline II helixtrans-101.7140.7175.1-76.9-98.8000109.6C12 C15C12-N17 PolarHBondContact N-O 2.66Å; C15-N17 PolarHBondContact O-N 2.83Å; C15-N17 PolarHBondContact O-ND2 2.97Å
18Y81.4Confident80.6Confident132 Ų13265.9 Ų65.952%0.51832%0.316SS..BIsolated β-bridgetrans-56.8138.2172-68.9-79.2000112.3L10 E11 R23L10-Y18 HydrophobicContact CB-CD1 4.36Å; L10-Y18 CarbonylContact O-C 3.58Å; L10-Y18 WeakPolarHBondContact O-CA 3.03Å; E11-Y18 HydrophobicContact CG-CD1 3.59Å; E11-Y18 HydrophobicContact CG-CD2 4.44Å; E11-Y18 HydrophobicContact CG-CE1 3.56Å; E11-Y18 HydrophobicContact CG-CE2 4.42Å; E11-Y18 HydrophobicContact CG-CG 4.03Å; E11-Y18 WeakPolarHBondContact OE1-CE1 3.43Å; E11-Y18 WeakPolarHBondContact OE1-CE2 3.47Å; E11-Y18 PolarHBondContact OE1-OH 3.21Å; Y18-R23 WeakPolarHBondContact O-CD 3.24Å
19Y82Confident81.6Confident21 Ų2168 Ų688%0.08232%0.322CS..PPolyproline II helixtrans-65.1143.3169.7-63.8-59.6000110.4L10 C12 R23 P25 C35 I75 I79L10-Y19 WeakPolarHBondContact O-CD2 3.09Å; L10-Y19 PolarHBondContact O-N 3.46Å; C12-Y19 HydrophobicContact CB-CE1 3.9Å; Y19-R23 WeakPolarHBondContact CA-O 3.48Å; Y19-P25 HydrophobicContact CD1-CB 3.79Å; Y19-P25 HydrophobicContact CD1-CG 4.27Å; Y19-P25 HydrophobicContact CD2-CB 4.29Å; Y19-P25 HydrophobicContact CE1-CB 3.64Å; Y19-P25 HydrophobicContact CE2-CB 4.19Å; Y19-P25 HydrophobicContact CG-CB 4.12Å; Y19-P25 HydrophobicContact CG-CG 4.27Å; Y19-C35 HydrophobicContact CD1-CB 4.46Å; Y19-C35 HydrophobicContact CE1-CB 4.03Å; Y19-I75 HydrophobicContact CD2-CG2 3.63Å; Y19-I75 HydrophobicContact CE2-CD1 4.22Å; Y19-I75 HydrophobicContact CE2-CG2 4.01Å; Y19-I75 HydrophobicContact CG-CG2 4.38Å; Y19-I79 HydrophobicContact CD2-CD1 4.42Å; Y19-I79 HydrophobicContact CG-CD1 4.2Å
20S78.3Confident82.1Confident45 Ų4565.2 Ų65.232%0.31531%0.311SS..  trans-149.6168.9-179.663.50000109.3R22 R23 R24S20-R22 PolarHBondContact O-N 2.86Å; S20-R23 PolarHBondContact N-O 3.21Å; S20-R23 CarbonylContact O-C 3.49Å; S20-R23 WeakPolarHBondContact O-CA 3.42Å; S20-R23 PolarHBondContact O-N 2.92Å; S20-R23 VanDerWaalsContact O-O 3.05Å; S20-R23 WeakPolarHBondContact OG-CB 3.31Å; S20-R23 PolarHBondContact OG-N 3.4Å; S20-R23 VanDerWaalsContact OG-N 3.13Å; S20-R24 PolarHBondContact O-N 3.38Å
21P74.9Confident82.2Confident98 Ų9873 Ų7364%0.63634%0.338SS*.SBendtrans-53.7-27.1175.7-29.136.4000114R24P21-R24 WeakPolarHBondContact O-CG 3.37Å; P21-R24 PolarHBondContact O-NE 3.07Å
22R75.3Confident82.2Confident233 Ų23373.1 Ų73.188%0.87934%0.339SS*.SBendtrans-88.1-29.5174.4-62.3-171.7177.5-155.5-1113.4S20 S36S20-R22 PolarHBondContact O-N 2.86Å; R22-S36 PolarHBondContact O-OG 2.67Å
23R83.4Confident82.2Confident52 Ų5274.3 Ų74.320%0.19635%0.346CS..SBendtrans-111.574.7178.5-174.3-177.3-61.3-86.1-0.8109.2C15 Y18 Y19 S20 C35 V37C15-R23 PolarHBondContact SG-NH1 3.45Å; Y18-R23 WeakPolarHBondContact O-CD 3.24Å; Y19-R23 WeakPolarHBondContact CA-O 3.48Å; S20-R23 PolarHBondContact N-O 3.21Å; S20-R23 CarbonylContact O-C 3.49Å; S20-R23 WeakPolarHBondContact O-CA 3.42Å; S20-R23 PolarHBondContact O-N 2.92Å; S20-R23 VanDerWaalsContact O-O 3.05Å; S20-R23 WeakPolarHBondContact OG-CB 3.31Å; S20-R23 PolarHBondContact OG-N 3.4Å; S20-R23 VanDerWaalsContact OG-N 3.13Å; R23-C35 HydrophobicContact CG-CB 3.71Å; R23-C35 PolarHBondContact NH1-SG 2.64Å; R23-V37 HydrophobicContact CG-CG2 4.32Å
24R83.4Confident82.4Confident103 Ų10369.4 Ų69.439%0.38932%0.323SS..  trans-79.3141.7-174.7-67.5-145167.9-169.8-7.6112.7S20 P21 K26 C35 S36 D71S20-R24 PolarHBondContact O-N 3.38Å; P21-R24 WeakPolarHBondContact O-CG 3.37Å; P21-R24 PolarHBondContact O-NE 3.07Å; R24-K26 HydrophobicContact CB-CD 4.04Å; R24-K26 PolarHBondContact O-N 2.86Å; R24-C35 CarbonylContact O-C 3.03Å; R24-C35 WeakPolarHBondContact O-CA 3.13Å; R24-S36 PolarHBondContact N-OG 2.98Å; R24-S36 PolarHBondContact O-N 3.24Å; R24-D71 WeakPolarHBondContact CB-OD1 3.47Å; R24-D71 WeakPolarHBondContact CD-OD1 3.5Å; R24-D71 WeakPolarHBondContact CD-OD2 3.39Å; R24-D71 IonicContact CZ-OD2 3.79Å; R24-D71 IonicContact NE-OD2 3.99Å; R24-D71 IonicContact NH1-OD2 2.86Å; R24-D71 PolarHBondContact NH1-OD2 2.81Å
25P84.7Confident82.4Confident3 Ų366.3 Ų66.32%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-73.2106.1171.529.6-31.7000109.3Y19 T33 D71 D72 I75 I79Y19-P25 HydrophobicContact CD1-CB 3.79Å; Y19-P25 HydrophobicContact CD1-CG 4.27Å; Y19-P25 HydrophobicContact CD2-CB 4.29Å; Y19-P25 HydrophobicContact CE1-CB 3.64Å; Y19-P25 HydrophobicContact CE2-CB 4.19Å; Y19-P25 HydrophobicContact CG-CB 4.12Å; Y19-P25 HydrophobicContact CG-CG 4.27Å; P25-T33 HydrophobicContact CB-CG2 3.47Å; P25-T33 VanDerWaalsContact CB-CG2 3.47Å; P25-D71 CarbonylContact O-C 3.57Å; P25-D71 VanDerWaalsContact O-CA 3.24Å; P25-D71 WeakPolarHBondContact O-CA 3.43Å; P25-D72 HydrophobicContact CB-CB 4.31Å; P25-D72 HydrophobicContact CG-CB 4.49Å; P25-D72 PolarHBondContact O-N 2.88Å; P25-I75 HydrophobicContact CB-CB 4.36Å; P25-I75 HydrophobicContact CB-CD1 4.3Å; P25-I75 HydrophobicContact CB-CG2 4.11Å; P25-I75 HydrophobicContact CG-CB 3.99Å; P25-I75 HydrophobicContact CG-CG2 3.72Å; P25-I79 HydrophobicContact CG-CD1 4.45Å
26K84.8Confident82.6Confident4 Ų465.1 Ų65.12%0.01730%0.299CS..EExtended strand (participates in β ladder)trans-96.2133.9178.8-45.2-57.9-93.1170.30110.6R24 T33 C34 L39 V66 S67 L69 D71R24-K26 HydrophobicContact CB-CD 4.04Å; R24-K26 PolarHBondContact O-N 2.86Å; K26-T33 WeakPolarHBondContact O-CA 3.44Å; K26-C34 PolarHBondContact N-O 3.03Å; K26-C34 PolarHBondContact O-N 2.92Å; K26-L39 HydrophobicContact CB-CD1 3.61Å; K26-L39 HydrophobicContact CG-CD1 4.07Å; K26-V66 WeakPolarHBondContact CE-O 3.37Å; K26-V66 HydrophobicContact CG-CG1 4.45Å; K26-S67 VanDerWaalsContact CE-C 3.5Å; K26-S67 WeakPolarHBondContact CE-O 2.9Å; K26-S67 PolarHBondContact NZ-O 3.42Å; K26-L69 HydrophobicContact CB-CB 4.03Å; K26-L69 HydrophobicContact CB-CD1 4.4Å; K26-L69 WeakPolarHBondContact CE-O 3.04Å; K26-L69 PolarHBondContact NZ-O 3.18Å; K26-D71 WeakPolarHBondContact CD-OD1 3.45Å; K26-D71 WeakPolarHBondContact CE-OD1 3.48Å; K26-D71 IonicContact NZ-OD1 2.79Å; K26-D71 PolarHBondContact NZ-OD1 3.48Å; K26-D71 IonicContact NZ-OD2 3.84Å
27L84.7Confident82.7Confident35 Ų3561.6 Ų61.618%0.18329%0.289CS..EExtended strand (participates in β ladder)trans-87.7130.4176.1-164.573.5000109.9T33 P70L27-T33 VanDerWaalsContact CD1-OG1 3.25Å; L27-T33 WeakPolarHBondContact CD1-OG1 3.42Å; L27-P70 HydrophobicContact CB-CG 4.41Å; L27-P70 PolarHBondContact N-O 3.27Å
28L84.3Confident83Confident3 Ų358.5 Ų58.52%0.01627%0.273CS..PPolyproline II helixtrans-89.3165.3172.7-78.377.2000110.5C30 R31 H32 C34 L39 I49 C51 T58L28-C30 PolarHBondContact O-N 3.07Å; L28-R31 WeakPolarHBondContact O-CA 3.5Å; L28-R31 PolarHBondContact O-N 3.4Å; L28-H32 WeakPolarHBondContact CD1-O 3.16Å; L28-H32 PolarHBondContact N-O 3.33Å; L28-C34 HydrophobicContact CD1-CB 4.27Å; L28-L39 HydrophobicContact CD1-CD1 3.84Å; L28-L39 HydrophobicContact CD1-CD2 3.75Å; L28-L39 HydrophobicContact CD1-CG 4.42Å; L28-L39 HydrophobicContact CD2-CD2 4.28Å; L28-L39 HydrophobicContact CG-CD2 4.46Å; L28-I49 HydrophobicContact CD2-CG2 4.31Å; L28-C51 HydrophobicContact CD2-CB 3.72Å; L28-T58 WeakPolarHBondContact CB-OG1 3.08Å
29D81.9Confident83.2Confident106 Ų10652.2 Ų52.257%0.56725%0.248SC*.THydrogen-bonded Turntrans-55.3-30.6177-67.1-14.9000112.8R31 T58D29-R31 PolarHBondContact O-N 3.16Å; D29-T58 PolarHBondContact N-OG1 2.75Å; D29-T58 VanDerWaalsContact OD2-CA 3.27Å; D29-T58 WeakPolarHBondContact OD2-CA 3.34Å
30C80.6Confident83.3Confident38 Ų3855 Ų5526%0.25727%0.268SS..THydrogen-bonded Turntrans-79.411.2175.366.70000114.6L28 H32 C51 C54L28-C30 PolarHBondContact O-N 3.07Å; C30-H32 PolarHBondContact O-N 3.49Å; C30-H32 PolarHBondContact O-ND1 3.01Å; C30-H32 PolarHBondContact SG-ND1 3.23Å; C30-H32 VanDerWaalsContact SG-ND1 3.38Å; C30-C51 WeakPolarHBondContact SG-CB 3.07Å; C30-C51 PolarHBondContact SG-SG 2.91Å; C30-C54 WeakPolarHBondContact CB-SG 3.24Å; C30-C54 PolarHBondContact SG-SG 3.34Å
31R80.7Confident83.5Confident200 Ų20060.9 Ų60.976%0.75529%0.29SS*.SBendtrans61.117.3-178.9-56.9-66.2-172.480.21.2115.8L28 D29L28-R31 WeakPolarHBondContact O-CA 3.5Å; L28-R31 PolarHBondContact O-N 3.4Å; D29-R31 PolarHBondContact O-N 3.16Å
32H83.5Confident83.8Confident43 Ų4359.5 Ų59.520%0.19928%0.276CS..  trans-91145.9170.2-69.993.3000111.1L28 C30 W53 R204L28-H32 WeakPolarHBondContact CD1-O 3.16Å; L28-H32 PolarHBondContact N-O 3.33Å; C30-H32 PolarHBondContact O-N 3.49Å; C30-H32 PolarHBondContact O-ND1 3.01Å; C30-H32 PolarHBondContact SG-ND1 3.23Å; C30-H32 VanDerWaalsContact SG-ND1 3.38Å; H32-W53 HydrophobicContact CB-CD2 4.34Å; H32-W53 HydrophobicContact CB-CE3 3.43Å; H32-W53 VanDerWaalsContact CB-CE3 3.43Å; H32-W53 HydrophobicContact CB-CZ3 3.77Å; H32-W53 AromaticContact CD2-CE3 3.93Å; H32-W53 AromaticContact CD2-CG 3.94Å; H32-W53 AromaticContact CG-CE3 3.81Å; H32-R204 PolarHBondContact NE2-NH1 3.25Å
33T85.2Confident84Confident25 Ų2551.4 Ų51.415%0.15325%0.246CC..EExtended strand (participates in β ladder)trans-108.4130-176-57.20000111.8P25 K26 L27 W53 D72 I75P25-T33 HydrophobicContact CB-CG2 3.47Å; P25-T33 VanDerWaalsContact CB-CG2 3.47Å; K26-T33 WeakPolarHBondContact O-CA 3.44Å; L27-T33 VanDerWaalsContact CD1-OG1 3.25Å; L27-T33 WeakPolarHBondContact CD1-OG1 3.42Å; T33-W53 WeakPolarHBondContact O-CH2 3.25Å; T33-D72 HydrophobicContact CG2-CB 3.75Å; T33-D72 PolarHBondContact OG1-OD2 3.46Å; T33-I75 HydrophobicContact CG2-CD1 3.98Å
34C86.3Confident83.4Confident0 Ų052.9 Ų52.90%026%0.263CS..EExtended strand (participates in β ladder)trans-141.3152.5-178.5-169.50000111.7I14 K26 L28 L39 W53I14-C34 WeakPolarHBondContact CD1-SG 3.35Å; K26-C34 PolarHBondContact N-O 3.03Å; K26-C34 PolarHBondContact O-N 2.92Å; L28-C34 HydrophobicContact CD1-CB 4.27Å; C34-L39 HydrophobicContact CB-CD1 3.94Å; C34-L39 HydrophobicContact CB-CD2 3.72Å; C34-L39 HydrophobicContact CB-CG 3.7Å; C34-W53 HydrophobicContact CB-CH2 3.55Å; C34-W53 HydrophobicContact CB-CZ3 3.78Å
35C86.6Confident82.7Confident0 Ų051.3 Ų51.30%027%0.265CS..EExtended strand (participates in β ladder)trans-66140.8179.998.20000112.3C12 Y19 R23 R24 V37 C38 L39C12-C35 HydrophobicContact CB-CB 3.74Å; Y19-C35 HydrophobicContact CD1-CB 4.46Å; Y19-C35 HydrophobicContact CE1-CB 4.03Å; R23-C35 HydrophobicContact CG-CB 3.71Å; R23-C35 PolarHBondContact NH1-SG 2.64Å; R24-C35 CarbonylContact O-C 3.03Å; R24-C35 WeakPolarHBondContact O-CA 3.13Å; C35-V37 PolarHBondContact O-N 3.33Å; C35-C38 HydrophobicContact CB-CB 4.22Å; C35-C38 WeakPolarHBondContact CB-SG 3.45Å; C35-C38 WeakPolarHBondContact O-CB 3.27Å; C35-C38 PolarHBondContact O-N 3.49Å; C35-C38 WeakPolarHBondContact SG-CB 3.43Å; C35-C38 PolarHBondContact SG-N 2.99Å; C35-C38 CovalentContact SG-SG 2.07Å; C35-C38 PolarHBondContact SG-SG 3.42Å; C35-L39 PolarHBondContact O-N 2.9Å
36S87.1Confident82Confident14 Ų1457.7 Ų57.710%0.09830%0.295CS..Hα-helixtrans-53.2-39.8178.658.50000113.1R22 R24 T40R22-S36 PolarHBondContact O-OG 2.67Å; R24-S36 PolarHBondContact N-OG 2.98Å; R24-S36 PolarHBondContact O-N 3.24Å; S36-T40 WeakPolarHBondContact O-CB 3.41Å; S36-T40 PolarHBondContact O-N 3.14Å; S36-T40 PolarHBondContact O-OG1 2.85Å
37V86.9Confident81.3Confident65 Ų6564.1 Ų64.139%0.39432%0.323SS..Hα-helixtrans-63.9-46.2177.8-178.70000111.1R23 C35 T40 Q41R23-V37 HydrophobicContact CG-CG2 4.32Å; C35-V37 PolarHBondContact O-N 3.33Å; V37-T40 WeakPolarHBondContact O-CB 3.15Å; V37-T40 PolarHBondContact O-N 3.5Å; V37-Q41 PolarHBondContact O-N 3.28Å
38C86.3Confident81.2Confident9 Ų965.3 Ų65.36%0.06133%0.328CS..Hα-helixtrans-62.7-46.5-179.1-50.40000110.2C12 C15 C35 T40 Q41 M42C12-C38 PolarHBondContact SG-SG 2.76Å; C15-C38 PolarHBondContact SG-SG 2.7Å; C35-C38 HydrophobicContact CB-CB 4.22Å; C35-C38 WeakPolarHBondContact CB-SG 3.45Å; C35-C38 WeakPolarHBondContact O-CB 3.27Å; C35-C38 PolarHBondContact O-N 3.49Å; C35-C38 WeakPolarHBondContact SG-CB 3.43Å; C35-C38 PolarHBondContact SG-N 2.99Å; C35-C38 CovalentContact SG-SG 2.07Å; C35-C38 PolarHBondContact SG-SG 3.42Å; C38-T40 VanDerWaalsContact C-N 3.32Å; C38-T40 PolarHBondContact O-N 2.83Å; C38-Q41 PolarHBondContact O-N 3.31Å; C38-M42 HydrophobicContact CB-CE 3.92Å; C38-M42 WeakPolarHBondContact O-CB 3.5Å; C38-M42 VanDerWaalsContact O-CE 3.29Å; C38-M42 WeakPolarHBondContact O-CE 3.44Å; C38-M42 WeakPolarHBondContact O-CG 3Å; C38-M42 PolarHBondContact O-N 2.76Å
39L85.9Confident81.2Confident0 Ų065.2 Ų65.20%033%0.327CS..Hα-helixtrans-66.3-34.3177.8-69.7173.9000112.9K26 L28 C34 C35 Q41 M42 R43 I49 V66 L69K26-L39 HydrophobicContact CB-CD1 3.61Å; K26-L39 HydrophobicContact CG-CD1 4.07Å; L28-L39 HydrophobicContact CD1-CD1 3.84Å; L28-L39 HydrophobicContact CD1-CD2 3.75Å; L28-L39 HydrophobicContact CD1-CG 4.42Å; L28-L39 HydrophobicContact CD2-CD2 4.28Å; L28-L39 HydrophobicContact CG-CD2 4.46Å; C34-L39 HydrophobicContact CB-CD1 3.94Å; C34-L39 HydrophobicContact CB-CD2 3.72Å; C34-L39 HydrophobicContact CB-CG 3.7Å; C35-L39 PolarHBondContact O-N 2.9Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-M42 HydrophobicContact CD2-CE 4.05Å; L39-R43 PolarHBondContact O-N 3.47Å; L39-I49 HydrophobicContact CB-CD1 4.49Å; L39-I49 HydrophobicContact CD2-CG2 3.87Å; L39-V66 HydrophobicContact CB-CG1 3.47Å; L39-V66 VanDerWaalsContact CB-CG1 3.47Å; L39-V66 HydrophobicContact CD1-CG1 4.07Å; L39-V66 HydrophobicContact CG-CG1 4.46Å; L39-L69 HydrophobicContact CD1-CD1 4.42Å
40T84.4Confident81.3Confident79 Ų7967.4 Ų67.449%0.48533%0.328SS..Hα-helixtrans-63.9-40.3173.4-580000110.9S36 V37 C38 R43S36-T40 WeakPolarHBondContact O-CB 3.41Å; S36-T40 PolarHBondContact O-N 3.14Å; S36-T40 PolarHBondContact O-OG1 2.85Å; V37-T40 WeakPolarHBondContact O-CB 3.15Å; V37-T40 PolarHBondContact O-N 3.5Å; C38-T40 VanDerWaalsContact C-N 3.32Å; C38-T40 PolarHBondContact O-N 2.83Å; T40-R43 WeakPolarHBondContact O-CB 3.42Å
41Q83.7Confident81.5Confident169 Ų16965.7 Ų65.779%0.7932%0.316SS*.Hα-helixtrans-73.8-35.4179.4-167.8171.714.200113.3V37 C38 L39 R43V37-Q41 PolarHBondContact O-N 3.28Å; C38-Q41 PolarHBondContact O-N 3.31Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; Q41-R43 VanDerWaalsContact C-N 3.28Å; Q41-R43 PolarHBondContact O-N 2.9Å
42M80.9Confident81.6Confident69 Ų6959 Ų5934%0.3430%0.299SS..THydrogen-bonded Turntrans-82.7-1.7179.5-68.2-177.6-70.900114I14 C38 L39 S44 P52I14-M42 HydrophobicContact CD1-CE 3.52Å; I14-M42 HydrophobicContact CD1-SD 4.01Å; C38-M42 HydrophobicContact CB-CE 3.92Å; C38-M42 WeakPolarHBondContact O-CB 3.5Å; C38-M42 VanDerWaalsContact O-CE 3.29Å; C38-M42 WeakPolarHBondContact O-CE 3.44Å; C38-M42 WeakPolarHBondContact O-CG 3Å; C38-M42 PolarHBondContact O-N 2.76Å; L39-M42 HydrophobicContact CD2-CE 4.05Å; M42-S44 PolarHBondContact O-N 2.65Å; M42-S44 VanDerWaalsContact O-N 3.1Å; M42-P52 HydrophobicContact CE-CG 4.15Å; M42-P52 HydrophobicContact SD-CB 4.11Å; M42-P52 HydrophobicContact SD-CG 4.23Å
43R78.9Confident81.7Confident63 Ų6360.6 Ų60.624%0.23830%0.303CS..  trans-65.5110.5-179.7-176.1179.8-174.4-166.47.3109.9L39 T40 Q41 T45 Q46 I49L39-R43 PolarHBondContact O-N 3.47Å; T40-R43 WeakPolarHBondContact O-CB 3.42Å; Q41-R43 VanDerWaalsContact C-N 3.28Å; Q41-R43 PolarHBondContact O-N 2.9Å; R43-T45 WeakPolarHBondContact CG-O 3.37Å; R43-T45 PolarHBondContact NE-O 3.08Å; R43-T45 VanDerWaalsContact NE-O 3.09Å; R43-Q46 PolarHBondContact NH2-O 3.04Å; R43-I49 HydrophobicContact CB-CG1 4.37Å; R43-I49 HydrophobicContact CG-CG1 4.18Å
44S70.2Confident81.5Confident82 Ų8262.3 Ų62.357%0.57332%0.315SS*.  trans-79.3-33179.458.10000112.9M42M42-S44 PolarHBondContact O-N 2.65Å; M42-S44 VanDerWaalsContact O-N 3.1Å
45T69.7Low81.4Confident70 Ų7072.3 Ų72.343%0.42935%0.353SS..BIsolated β-bridgetrans-138.7162.3178.768.20000111.2R43 K47 E48R43-T45 WeakPolarHBondContact CG-O 3.37Å; R43-T45 PolarHBondContact NE-O 3.08Å; R43-T45 VanDerWaalsContact NE-O 3.09Å; T45-K47 PolarHBondContact O-N 3.27Å; T45-K47 PolarHBondContact OG1-N 2.86Å; T45-E48 PolarHBondContact OG1-N 2.94Å
46Q69.3Low81.2Confident138 Ų13873.5 Ų73.565%0.64537%0.365SS*.THydrogen-bonded Turntrans-63.7-9176.3-67.7-71.6-20.800113.5R43R43-Q46 PolarHBondContact NH2-O 3.04Å
47K71Confident81Confident139 Ų13975.7 Ų75.760%0.60438%0.377SS*.THydrogen-bonded Turntrans-118.5-14.5-171.2-60.9-178.3-178.4-178.50113.7T45 L60T45-K47 PolarHBondContact O-N 3.27Å; T45-K47 PolarHBondContact OG1-N 2.86Å; K47-L60 PolarHBondContact O-N 3.38Å
48E81.4Confident80.8Confident60 Ų6072.6 Ų72.628%0.2836%0.359SS..EExtended strand (participates in β ladder)trans-144.2139.5-170.2-61.1-173.4167.100112T45 V57 T58 K59T45-E48 PolarHBondContact OG1-N 2.94Å; E48-V57 HydrophobicContact CB-CG1 4Å; E48-V57 HydrophobicContact CG-CG1 4.05Å; E48-T58 WeakPolarHBondContact CA-O 3.39Å; E48-K59 HydrophobicContact CG-CG 4.44Å
49I83.8Confident80.4Confident0 Ų079.2 Ų79.20%039%0.387CS..EExtended strand (participates in β ladder)trans-120.6135.5170.9-65.3179.4000108.1L28 L39 R43 T58 L60 V66L28-I49 HydrophobicContact CD2-CG2 4.31Å; L39-I49 HydrophobicContact CB-CD1 4.49Å; L39-I49 HydrophobicContact CD2-CG2 3.87Å; R43-I49 HydrophobicContact CB-CG1 4.37Å; R43-I49 HydrophobicContact CG-CG1 4.18Å; I49-T58 PolarHBondContact N-O 3.43Å; I49-T58 PolarHBondContact O-N 3.39Å; I49-L60 HydrophobicContact CD1-CD1 3.6Å; I49-L60 HydrophobicContact CD1-CG 4.41Å; I49-L60 HydrophobicContact CG1-CD1 3.9Å; I49-V66 HydrophobicContact CD1-CG2 3.69Å
50R84.6Confident79.7Confident153 Ų15379.7 Ų79.758%0.57739%0.389SS*.EExtended strand (participates in β ladder)trans-99.6133.3174.8-67.9-173.1179.4170.2-0.5110.2V57R50-V57 HydrophobicContact CG-CG2 4.36Å
51C84.6Confident79Confident2 Ų279.1 Ų79.11%0.01439%0.387CS..  trans-63.2129.1173.61770000110.8L28 C30 W53 C54 R55 G56L28-C51 HydrophobicContact CD2-CB 3.72Å; C30-C51 WeakPolarHBondContact SG-CB 3.07Å; C30-C51 PolarHBondContact SG-SG 2.91Å; C51-W53 PolarHBondContact O-N 2.83Å; C51-W53 VanDerWaalsContact SG-CE3 3.57Å; C51-W53 PolarHBondContact SG-N 3.22Å; C51-W53 VanDerWaalsContact SG-N 3.41Å; C51-C54 PolarHBondContact SG-N 3.05Å; C51-C54 VanDerWaalsContact SG-N 3.43Å; C51-C54 PolarHBondContact SG-SG 3.16Å; C51-R55 WeakPolarHBondContact O-CA 3.49Å; C51-R55 PolarHBondContact O-N 2.78Å; C51-G56 WeakPolarHBondContact CB-O 3.36Å; C51-G56 PolarHBondContact N-O 3.41Å
52P83.3Confident78Confident60 Ų6076.9 Ų76.939%0.3939%0.387SS..THydrogen-bonded Turntrans-71.2-20179.524-27.9000113I14 M42I14-P52 HydrophobicContact CD1-CB 3.99Å; I14-P52 HydrophobicContact CD1-CG 3.43Å; I14-P52 VanDerWaalsContact CD1-CG 3.43Å; M42-P52 HydrophobicContact CE-CG 4.15Å; M42-P52 HydrophobicContact SD-CB 4.11Å; M42-P52 HydrophobicContact SD-CG 4.23Å
53W85.2Confident77Confident76 Ų7677.4 Ų77.429%0.28841%0.41SS..THydrogen-bonded Turntrans-92.2-43-179.5-58.3-79000113.8Q13 I14 H32 T33 C34 C51 R204Q13-W53 HydrophobicContact CB-CZ2 4.36Å; I14-W53 HydrophobicContact CD1-CH2 4.04Å; I14-W53 HydrophobicContact CD1-CZ2 4.06Å; I14-W53 HydrophobicContact CG1-CH2 4.34Å; I14-W53 HydrophobicContact CG1-CZ2 3.94Å; H32-W53 HydrophobicContact CB-CD2 4.34Å; H32-W53 HydrophobicContact CB-CE3 3.43Å; H32-W53 VanDerWaalsContact CB-CE3 3.43Å; H32-W53 HydrophobicContact CB-CZ3 3.77Å; H32-W53 AromaticContact CD2-CE3 3.93Å; H32-W53 AromaticContact CD2-CG 3.94Å; H32-W53 AromaticContact CG-CE3 3.81Å; T33-W53 WeakPolarHBondContact O-CH2 3.25Å; C34-W53 HydrophobicContact CB-CH2 3.55Å; C34-W53 HydrophobicContact CB-CZ3 3.78Å; C51-W53 PolarHBondContact O-N 2.83Å; C51-W53 VanDerWaalsContact SG-CE3 3.57Å; C51-W53 PolarHBondContact SG-N 3.22Å; C51-W53 VanDerWaalsContact SG-N 3.41Å; W53-R204 VanDerWaalsContact CD1-NH2 3.3Å
54C81.1Confident76.3Confident60 Ų6076.8 Ų76.841%0.40541%0.411SS..THydrogen-bonded Turntrans-122.51.4-173.669.20000114.3C30 C51 G56C30-C54 WeakPolarHBondContact CB-SG 3.24Å; C30-C54 PolarHBondContact SG-SG 3.34Å; C51-C54 PolarHBondContact SG-N 3.05Å; C51-C54 VanDerWaalsContact SG-N 3.43Å; C51-C54 PolarHBondContact SG-SG 3.16Å; C54-G56 PolarHBondContact O-N 3.09Å
55R84.8Confident76.1Confident210 Ų21075.2 Ų75.279%0.79240%0.4SS*.  trans59.17.1-176.9-53.9-179.4179.6-150.6-0.9115.2C51 V57C51-R55 WeakPolarHBondContact O-CA 3.49Å; C51-R55 PolarHBondContact O-N 2.78Å; R55-V57 PolarHBondContact O-N 3.41Å
56G82.1Confident75.9Confident25 Ų2572 Ų7226%0.25838%0.381SS..  trans-53.9135.6171.600000110.9C51 C54C51-G56 WeakPolarHBondContact CB-O 3.36Å; C51-G56 PolarHBondContact N-O 3.41Å; C54-G56 PolarHBondContact O-N 3.09Å
57V82.9Confident75.5Confident60 Ų6069.4 Ų69.436%0.36438%0.377SS..EExtended strand (participates in β ladder)trans-90.7123.7-177.5-179.60000108.8E48 R50 R55 K59E48-V57 HydrophobicContact CB-CG1 4Å; E48-V57 HydrophobicContact CG-CG1 4.05Å; R50-V57 HydrophobicContact CG-CG2 4.36Å; R55-V57 PolarHBondContact O-N 3.41Å; V57-K59 HydrophobicContact CG1-CG 4.29Å
58T82.1Confident75.1Confident1 Ų167.9 Ų67.91%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-100.2113.7169.1-63.30000108.9L28 D29 E48 I49 L69L28-T58 WeakPolarHBondContact CB-OG1 3.08Å; D29-T58 PolarHBondContact N-OG1 2.75Å; D29-T58 VanDerWaalsContact OD2-CA 3.27Å; D29-T58 WeakPolarHBondContact OD2-CA 3.34Å; E48-T58 WeakPolarHBondContact CA-O 3.39Å; I49-T58 PolarHBondContact N-O 3.43Å; I49-T58 PolarHBondContact O-N 3.39Å; T58-L69 HydrophobicContact CG2-CD2 3.81Å
59K79.6Confident74.3Confident148 Ų14865.7 Ų65.764%0.64336%0.363SS*.EExtended strand (participates in β ladder)trans-83.1120.5179.7-67.6-164.5175.2-177.70109.2E48 V57E48-K59 HydrophobicContact CG-CG 4.44Å; V57-K59 HydrophobicContact CG1-CG 4.29Å
60L71.2Confident73.7Confident9 Ų969.6 Ų69.65%0.04739%0.388CS..PPolyproline II helixtrans-89.9130.7173.5-71.6171.1000109.2K47 I49 L69K47-L60 PolarHBondContact O-N 3.38Å; I49-L60 HydrophobicContact CD1-CD1 3.6Å; I49-L60 HydrophobicContact CD1-CG 4.41Å; I49-L60 HydrophobicContact CG1-CD1 3.9Å; L60-L69 HydrophobicContact CD2-CD1 4.28Å; L60-L69 HydrophobicContact CD2-CD2 4.17Å; L60-L69 HydrophobicContact CD2-CG 4.07Å
61P69.5Low73.2Confident68 Ų6864 Ų6444%0.44237%0.369SS..PPolyproline II helixtrans-55.6148.7169.5-22.531.9000111.2G63 L64P61-G63 PolarHBondContact O-N 3.47Å; P61-G63 VanDerWaalsContact O-N 3.16Å; P61-L64 HydrophobicContact CB-CB 4.3Å; P61-L64 HydrophobicContact CG-CB 4.41Å; P61-L64 HydrophobicContact CG-CD2 4.08Å; P61-L64 WeakPolarHBondContact O-CB 3.41Å; P61-L64 PolarHBondContact O-N 2.87Å
62P61.1Low72.3Confident122 Ų12264.8 Ų64.879%0.79237%0.373SS*.THydrogen-bonded Turntrans-56.1122.4176-19.530.1000110.6
63G61.1Low71.4Confident80 Ų8065.5 Ų65.583%0.82538%0.378SS*.THydrogen-bonded Turntrans90.8-2.9-179.600000115.7P61P61-G63 PolarHBondContact O-N 3.47Å; P61-G63 VanDerWaalsContact O-N 3.16Å
64L64.4Low70.2Confident50 Ų5067.6 Ų67.626%0.26240%0.395SS..  trans-83.8129.4175.8-129.678.8000111.5P61 Q68P61-L64 HydrophobicContact CB-CB 4.3Å; P61-L64 HydrophobicContact CG-CB 4.41Å; P61-L64 HydrophobicContact CG-CD2 4.08Å; P61-L64 WeakPolarHBondContact O-CB 3.41Å; P61-L64 PolarHBondContact O-N 2.87Å; L64-Q68 HydrophobicContact CD2-CB 3.82Å; L64-Q68 HydrophobicContact CG-CB 3.79Å; L64-Q68 HydrophobicContact CG-CG 4.31Å
65S64.7Low69.2Low48 Ų4865.3 Ų65.334%0.33638%0.379SS..  trans-87.515617260.70000110.9S67 Q68S65-S67 PolarHBondContact O-N 3.02Å; S65-Q68 WeakPolarHBondContact O-CB 3.47Å; S65-Q68 PolarHBondContact O-N 2.89Å; S65-Q68 PolarHBondContact OG-NE2 2.97Å
66V65.5Low68Low4 Ų457.5 Ų57.52%0.02435%0.352CS..G310 helixtrans-51.7-31.9176.9-178.90000112.3K26 L39 I49 Q68 L69K26-V66 WeakPolarHBondContact CE-O 3.37Å; K26-V66 HydrophobicContact CG-CG1 4.45Å; L39-V66 HydrophobicContact CB-CG1 3.47Å; L39-V66 VanDerWaalsContact CB-CG1 3.47Å; L39-V66 HydrophobicContact CD1-CG1 4.07Å; L39-V66 HydrophobicContact CG-CG1 4.46Å; I49-V66 HydrophobicContact CD1-CG2 3.69Å; V66-Q68 PolarHBondContact O-N 3.38Å; V66-Q68 VanDerWaalsContact O-N 3.08Å; V66-L69 HydrophobicContact CG1-CD1 4.23Å; V66-L69 PolarHBondContact O-N 2.81Å
67S61.2Low66.8Low82 Ų8260.2 Ų60.257%0.57336%0.364SS*.G310 helixtrans-57.6-17.7175.7-39.10000114.4K26 S65K26-S67 VanDerWaalsContact CE-C 3.5Å; K26-S67 WeakPolarHBondContact CE-O 2.9Å; K26-S67 PolarHBondContact NZ-O 3.42Å; S65-S67 PolarHBondContact O-N 3.02Å
68Q62.5Low65.5Low108 Ų10860.2 Ų60.251%0.50536%0.364SS..G310 helixtrans-100.8-3.6-176.3-60.2179.552.500113.8L64 S65 V66L64-Q68 HydrophobicContact CD2-CB 3.82Å; L64-Q68 HydrophobicContact CG-CB 3.79Å; L64-Q68 HydrophobicContact CG-CG 4.31Å; S65-Q68 WeakPolarHBondContact O-CB 3.47Å; S65-Q68 PolarHBondContact O-N 2.89Å; S65-Q68 PolarHBondContact OG-NE2 2.97Å; V66-Q68 PolarHBondContact O-N 3.38Å; V66-Q68 VanDerWaalsContact O-N 3.08Å
69L65.9Low64.4Low14 Ų1462.7 Ų62.77%0.07338%0.377CS..SBendtrans-60.4150.2169.1-78.4158.6000110.1K26 L39 T58 L60 V66 D71K26-L69 HydrophobicContact CB-CB 4.03Å; K26-L69 HydrophobicContact CB-CD1 4.4Å; K26-L69 WeakPolarHBondContact CE-O 3.04Å; K26-L69 PolarHBondContact NZ-O 3.18Å; L39-L69 HydrophobicContact CD1-CD1 4.42Å; T58-L69 HydrophobicContact CG2-CD2 3.81Å; L60-L69 HydrophobicContact CD2-CD1 4.28Å; L60-L69 HydrophobicContact CD2-CD2 4.17Å; L60-L69 HydrophobicContact CD2-CG 4.07Å; V66-L69 HydrophobicContact CG1-CD1 4.23Å; V66-L69 PolarHBondContact O-N 2.81Å; L69-D71 PolarHBondContact O-N 3.39Å
70P69.6Low63.1Low82 Ų8258.6 Ų58.653%0.53237%0.37SS..PPolyproline II helixtrans-56.2130.6173.721.8-29.7000109.3L27L27-P70 HydrophobicContact CB-CG 4.41Å; L27-P70 PolarHBondContact N-O 3.27Å
71D75.1Confident61.9Low34 Ų3462.9 Ų62.918%0.18239%0.392CS..BIsolated β-bridgetrans-76.3150.5170.4-67.4-38.2000108.4R24 P25 K26 L69 P73 I76R24-D71 WeakPolarHBondContact CB-OD1 3.47Å; R24-D71 WeakPolarHBondContact CD-OD1 3.5Å; R24-D71 WeakPolarHBondContact CD-OD2 3.39Å; R24-D71 IonicContact CZ-OD2 3.79Å; R24-D71 IonicContact NE-OD2 3.99Å; R24-D71 IonicContact NH1-OD2 2.86Å; R24-D71 PolarHBondContact NH1-OD2 2.81Å; P25-D71 CarbonylContact O-C 3.57Å; P25-D71 VanDerWaalsContact O-CA 3.24Å; P25-D71 WeakPolarHBondContact O-CA 3.43Å; K26-D71 WeakPolarHBondContact CD-OD1 3.45Å; K26-D71 WeakPolarHBondContact CE-OD1 3.48Å; K26-D71 IonicContact NZ-OD1 2.79Å; K26-D71 PolarHBondContact NZ-OD1 3.48Å; K26-D71 IonicContact NZ-OD2 3.84Å; L69-D71 PolarHBondContact O-N 3.39Å; D71-P73 WeakPolarHBondContact O-CD 3.45Å; D71-I76 HydrophobicContact CB-CD1 3.02Å; D71-I76 HydrophobicContact CB-CG1 3.78Å
72D66.6Low60.8Low19 Ų1965 Ų6510%0.10241%0.406CS..PPolyproline II helixtrans-70.2116176.7-170.9-43.3000110.5P25 T33 D74 I75 I76P25-D72 HydrophobicContact CB-CB 4.31Å; P25-D72 HydrophobicContact CG-CB 4.49Å; P25-D72 PolarHBondContact O-N 2.88Å; T33-D72 HydrophobicContact CG2-CB 3.75Å; T33-D72 PolarHBondContact OG1-OD2 3.46Å; D72-D74 VanDerWaalsContact C-N 3.31Å; D72-D74 PolarHBondContact O-N 3.48Å; D72-D74 PolarHBondContact OD1-N 2.77Å; D72-I75 HydrophobicContact CB-CB 4.29Å; D72-I75 HydrophobicContact CB-CD1 4.25Å; D72-I75 HydrophobicContact CB-CG1 4.34Å; D72-I75 PolarHBondContact O-N 2.96Å; D72-I75 PolarHBondContact OD1-N 3.32Å; D72-I76 VanDerWaalsContact O-CG1 3.24Å; D72-I76 WeakPolarHBondContact O-CG1 3.37Å; D72-I76 PolarHBondContact O-N 3.49Å
73P62.9Low59.9Low75 Ų7565.8 Ų65.849%0.48740%0.399SS..Hα-helixtrans-67.1-31.5-173.928.3-34.6000112.7D71 I75 T77D71-P73 WeakPolarHBondContact O-CD 3.45Å; P73-I75 VanDerWaalsContact C-N 3.3Å; P73-I75 PolarHBondContact O-N 2.67Å; P73-T77 WeakPolarHBondContact O-CG2 3.24Å; P73-T77 PolarHBondContact O-N 3.28Å; P73-T77 PolarHBondContact O-OG1 3.13Å; P73-T77 VanDerWaalsContact O-OG1 3.13Å
74D60.3Low59.1Low120 Ų12066.7 Ų66.764%0.64240%0.399SS*.Hα-helixtrans-72.5-30.4-177.1-61.3-30.4000110.6D72 T77 V78D72-D74 VanDerWaalsContact C-N 3.31Å; D72-D74 PolarHBondContact O-N 3.48Å; D72-D74 PolarHBondContact OD1-N 2.77Å; D74-T77 PolarHBondContact O-OG1 3.45Å; D74-T77 VanDerWaalsContact O-OG1 3.06Å; D74-V78 WeakPolarHBondContact O-CG2 3.22Å
75I60.3Low58.1Low13 Ų1367.6 Ų67.67%0.06741%0.409CS..Hα-helixtrans-88.9-36.7177.6-57.3177.5000111.1I9 L10 Y19 P25 T33 D72 P73 T77 V78 I79I9-I75 HydrophobicContact CG1-CG1 4.36Å; L10-I75 HydrophobicContact CD2-CG2 4.35Å; Y19-I75 HydrophobicContact CD2-CG2 3.63Å; Y19-I75 HydrophobicContact CE2-CD1 4.22Å; Y19-I75 HydrophobicContact CE2-CG2 4.01Å; Y19-I75 HydrophobicContact CG-CG2 4.38Å; P25-I75 HydrophobicContact CB-CB 4.36Å; P25-I75 HydrophobicContact CB-CD1 4.3Å; P25-I75 HydrophobicContact CB-CG2 4.11Å; P25-I75 HydrophobicContact CG-CB 3.99Å; P25-I75 HydrophobicContact CG-CG2 3.72Å; T33-I75 HydrophobicContact CG2-CD1 3.98Å; D72-I75 HydrophobicContact CB-CB 4.29Å; D72-I75 HydrophobicContact CB-CD1 4.25Å; D72-I75 HydrophobicContact CB-CG1 4.34Å; D72-I75 PolarHBondContact O-N 2.96Å; D72-I75 PolarHBondContact OD1-N 3.32Å; P73-I75 VanDerWaalsContact C-N 3.3Å; P73-I75 PolarHBondContact O-N 2.67Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.19Å; I75-V78 PolarHBondContact O-N 2.69Å; I75-I79 HydrophobicContact CG2-CD1 3.67Å; I75-I79 WeakPolarHBondContact O-CD1 3.17Å; I75-I79 VanDerWaalsContact O-CG1 3.31Å; I75-I79 WeakPolarHBondContact O-CG1 3.41Å; I75-I79 PolarHBondContact O-N 2.98Å
76I60Low57Low45 Ų4574.3 Ų74.323%0.23144%0.435CS..Hα-helixtrans-60.7-43.9174.7-71.1164.1000110.7D71 D72 V78 I79 A80D71-I76 HydrophobicContact CB-CD1 3.02Å; D71-I76 HydrophobicContact CB-CG1 3.78Å; D72-I76 VanDerWaalsContact O-CG1 3.24Å; D72-I76 WeakPolarHBondContact O-CG1 3.37Å; D72-I76 PolarHBondContact O-N 3.49Å; I76-V78 PolarHBondContact O-N 3.44Å; I76-I79 CarbonylContact O-C 3.58Å; I76-I79 PolarHBondContact O-N 2.72Å; I76-A80 HydrophobicContact CG2-CB 3.75Å; I76-A80 WeakPolarHBondContact O-CA 3.47Å; I76-A80 WeakPolarHBondContact O-CB 3.44Å; I76-A80 PolarHBondContact O-N 3.32Å
77T56.2Low56.1Low82 Ų8279.9 Ų79.950%0.50346%0.46SS..Hα-helixtrans-58.7-34.2-176.752.60000111.8P73 D74 I75 I81P73-T77 WeakPolarHBondContact O-CG2 3.24Å; P73-T77 PolarHBondContact O-N 3.28Å; P73-T77 PolarHBondContact O-OG1 3.13Å; P73-T77 VanDerWaalsContact O-OG1 3.13Å; D74-T77 PolarHBondContact O-OG1 3.45Å; D74-T77 VanDerWaalsContact O-OG1 3.06Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.19Å; T77-I81 WeakPolarHBondContact O-CG1 3.21Å; T77-I81 PolarHBondContact O-N 2.91Å
78V55.2Low55.2Low61 Ų6182.4 Ų82.437%0.3747%0.473SS..Hα-helixtrans-73.6-31.6175.1-172.60000112.5L10 D74 I75 I76L10-V78 HydrophobicContact CD1-CG1 3.98Å; L10-V78 HydrophobicContact CD2-CB 3.92Å; L10-V78 HydrophobicContact CD2-CG1 3.65Å; L10-V78 HydrophobicContact CG-CG1 4.33Å; D74-V78 WeakPolarHBondContact O-CG2 3.22Å; I75-V78 PolarHBondContact O-N 2.69Å; I76-V78 PolarHBondContact O-N 3.44Å
79I59.7Low54.4Low53 Ų5380.1 Ų80.127%0.27247%0.467SS..Hα-helixtrans-88.1-24178.7-56.6159.4000112.5L10 Y19 P25 I75 I76L10-I79 HydrophobicContact CD2-CG1 4.12Å; Y19-I79 HydrophobicContact CD2-CD1 4.42Å; Y19-I79 HydrophobicContact CG-CD1 4.2Å; P25-I79 HydrophobicContact CG-CD1 4.45Å; I75-I79 HydrophobicContact CG2-CD1 3.67Å; I75-I79 WeakPolarHBondContact O-CD1 3.17Å; I75-I79 VanDerWaalsContact O-CG1 3.31Å; I75-I79 WeakPolarHBondContact O-CG1 3.41Å; I75-I79 PolarHBondContact O-N 2.98Å; I76-I79 CarbonylContact O-C 3.58Å; I76-I79 PolarHBondContact O-N 2.72Å
80A51.7Low53.6Low61 Ų6184.3 Ų84.350%0.50449%0.493SS..Hα-helixtrans-91.4-6.7-173.800000113I76 P82I76-A80 HydrophobicContact CG2-CB 3.75Å; I76-A80 WeakPolarHBondContact O-CA 3.47Å; I76-A80 WeakPolarHBondContact O-CB 3.44Å; I76-A80 PolarHBondContact O-N 3.32Å; A80-P82 WeakPolarHBondContact O-CD 3.47Å
81I45.6Very low52.5Low99 Ų9986.2 Ų86.251%0.50849%0.493SS..SBendtrans-76.1104155.5-59.5164.7000104.5T77 H83T77-I81 WeakPolarHBondContact O-CG1 3.21Å; T77-I81 PolarHBondContact O-N 2.91Å; I81-H83 PolarHBondContact O-N 3.25Å
82P46.5Very low51.2Low113 Ų11389.3 Ų89.373%0.73451%0.509SS*.  trans-55.4106.3148.425.3-27.9000102.7A80 A84A80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-A84 PolarHBondContact O-N 3.36Å
83H43.8Very low49.9Very low138 Ų13898.4 Ų98.464%0.63954%0.542SS*.  trans-53.4105.7164.6-75.2-82000103.1I81 S85I81-H83 PolarHBondContact O-N 3.25Å; H83-S85 PolarHBondContact O-N 3.42Å
84A42.5Very low48.9Very low100 Ų10099.5 Ų99.583%0.82654%0.543SS*.  trans-66.755.915500000105.7P82P82-A84 PolarHBondContact O-N 3.36Å
85S43.7Very low48.2Very low69 Ų69100.3 Ų100.348%0.48356%0.555SS.*  trans-68.1130.7153.961.20000103.5H83 H87H83-S85 PolarHBondContact O-N 3.42Å; S85-H87 PolarHBondContact O-N 3.2Å
86E42.9Very low47.3Very low189 Ų189104.2 Ų104.288%0.88358%0.583SS**SBendtrans-67.235-177-57.5175.8155.100112
87H46.1Very low46.5Very low120 Ų120110.3 Ų110.356%0.55662%0.616SS**  trans-125.793.5-169.8-61.6-48.9000108.3S85 P89S85-H87 PolarHBondContact O-N 3.2Å; H87-P89 WeakPolarHBondContact O-CD 3.41Å; H87-P89 VanDerWaalsContact O-N 3.12Å
88T41.4Very low46.2Very low135 Ų135108.3 Ų108.383%0.82861%0.612SS**  trans-54.7111.5170.244.50000109.6V90T88-V90 PolarHBondContact O-N 3.06Å
89P46.4Very low45.8Very low60 Ų60109.2 Ų109.239%0.3962%0.62SS.*  trans-79.8128-179.330.5-30.7000110.8H87 F91 M101H87-P89 WeakPolarHBondContact O-CD 3.41Å; H87-P89 VanDerWaalsContact O-N 3.12Å; P89-F91 HydrophobicContact CB-CE2 4.46Å; P89-F91 HydrophobicContact CG-CE2 3.86Å; P89-F91 HydrophobicContact CG-CZ 3.99Å; P89-F91 WeakPolarHBondContact O-CD2 3.19Å; P89-F91 PolarHBondContact O-N 2.07Å; P89-M101 HydrophobicContact CB-CE 3.18Å; P89-M101 HydrophobicContact CB-SD 3.47Å; P89-M101 WeakPolarHBondContact CB-SD 3.16Å; P89-M101 HydrophobicContact CG-CE 3.91Å; P89-M101 HydrophobicContact CG-SD 4.19Å
90V48.3Very low45Very low102 Ų102114.5 Ų114.562%0.61864%0.638SS**  trans-80.9114.8172-179.40000108.2T88 I92T88-V90 PolarHBondContact O-N 3.06Å; V90-I92 PolarHBondContact O-N 3.05Å
91F47.6Very low44.6Very low123 Ų123116.7 Ų116.754%0.53964%0.639SS.*EExtended strand (participates in β ladder)trans-84.7107.2176-66-86.9000110P89 M101P89-F91 HydrophobicContact CB-CE2 4.46Å; P89-F91 HydrophobicContact CG-CE2 3.86Å; P89-F91 HydrophobicContact CG-CZ 3.99Å; P89-F91 WeakPolarHBondContact O-CD2 3.19Å; P89-F91 PolarHBondContact O-N 2.07Å; F91-M101 HydrophobicContact CE1-SD 4.12Å; F91-M101 HydrophobicContact CZ-SD 4.46Å
92I47.7Very low44.4Very low99 Ų99117.3 Ų117.351%0.50864%0.643SS.*EExtended strand (participates in β ladder)trans-87.9117166.9-51.4176.8000107.5V90 L94V90-I92 PolarHBondContact O-N 3.05Å; I92-L94 HydrophobicContact CB-CD1 4.47Å; I92-L94 HydrophobicContact CG2-CD1 3.97Å
93R39.6Very low44Very low210 Ų210117.4 Ų117.479%0.79264%0.643SS**EExtended strand (participates in β ladder)trans-83.1114.7173-68.4-138.3162.399.54.8109.2
94L41.8Very low43.7Very low97 Ų97117.2 Ų117.251%0.50865%0.646SS.*  trans-91.2154168.1-83.585.3000110.9I92 S96I92-L94 HydrophobicContact CB-CD1 4.47Å; I92-L94 HydrophobicContact CG2-CD1 3.97Å; L94-S96 PolarHBondContact O-N 2.97Å
95P44.7Very low43.4Very low137 Ų137118 Ų11889%0.8964%0.643SS**SBendtrans-60.2-13.8-174.8-23.333.3000115.6
96S42.1Very low43.1Very low96 Ų96120 Ų12067%0.67165%0.652SS**SBendtrans-112.257-176.254.80000112.8L94 G98L94-S96 PolarHBondContact O-N 2.97Å; S96-G98 PolarHBondContact O-N 2.72Å
97N44.1Very low42.8Very low173 Ų173117.3 Ų117.393%0.92565%0.648SS**SBendtrans52.210.9165.9-64.9-54.8000117.8
98G49.2Very low42.2Very low39 Ų39119.1 Ų119.140%0.40266%0.655SS.*  trans-99.3133176.800000110.8S96S96-G98 PolarHBondContact O-N 2.72Å
99C46.7Very low41.8Very low81 Ų81121.7 Ų121.755%0.54766%0.658SS.*EExtended strand (participates in β ladder)trans-105.9117.7164.3-62.50000106.6
100Y42.8Very low41.5Very low164 Ų164129.3 Ų129.364%0.64368%0.678SS**EExtended strand (participates in β ladder)trans-104.2135.2174.1-163.8-89.8000109.3L102Y100-L102 HydrophobicContact CD1-CD1 3.79Å; Y100-L102 HydrophobicContact CE1-CD1 3.6Å
101M44.2Very low40.7Very low106 Ų106128.7 Ų128.752%0.52268%0.684SS.*EExtended strand (participates in β ladder)trans-93.4107.8175-68.8-80.9-63.800107.6P89 F91P89-M101 HydrophobicContact CB-CE 3.18Å; P89-M101 HydrophobicContact CB-SD 3.47Å; P89-M101 WeakPolarHBondContact CB-SD 3.16Å; P89-M101 HydrophobicContact CG-CE 3.91Å; P89-M101 HydrophobicContact CG-SD 4.19Å; F91-M101 HydrophobicContact CE1-SD 4.12Å; F91-M101 HydrophobicContact CZ-SD 4.46Å
102L40.5Very low40Very low113 Ų113131.5 Ų131.559%0.59270%0.704SS**  trans-93.7119.1174.3-145.575000108.5Y100 L104Y100-L102 HydrophobicContact CD1-CD1 3.79Å; Y100-L102 HydrophobicContact CE1-CD1 3.6Å; L102-L104 PolarHBondContact O-N 2.97Å
103P39.1Very low39.1Very low115 Ų115130.2 Ų130.275%0.74772%0.715SS**  trans-71110.8171.1-2.917.2000108.3
104L37.3Very low38.6Very low133 Ų133128.6 Ų128.670%0.69672%0.721SS**  trans-76.9129.4164.2-106.6104.7000108.6L102 V106L102-L104 PolarHBondContact O-N 2.97Å; L104-V106 PolarHBondContact O-N 3.26Å
105P36.2Very low38.6Very low118 Ų118129.8 Ų129.877%0.76673%0.734SS**  trans-70.1118.9172.127.8-30.5000109.2T107P105-T107 PolarHBondContact O-N 3.46Å
106V37Very low37.9Very low111 Ų111126.9 Ų126.967%0.67373%0.729SS**  trans-82.3102.8173.4-178.50000108.5L104 K108L104-V106 PolarHBondContact O-N 3.26Å; V106-K108 PolarHBondContact O-N 2.67Å
107T36.1Very low37.9Very low131 Ų131129.5 Ų129.580%0.80474%0.736SS**  trans-65.5113.6154.740.60000108P105 E109P105-T107 PolarHBondContact O-N 3.46Å; T107-E109 PolarHBondContact O-N 3.22Å
108K33.8Very low37.5Very low159 Ų159129.1 Ų129.169%0.69173%0.733SS**  trans-72.4102.8180180179.9-175.9165.30110.1V106V106-K108 PolarHBondContact O-N 2.67Å
109E32.9Very low36.7Very low189 Ų189130 Ų13088%0.88374%0.742SS**  trans-119.4117.4157.6-61.8-158.2119.600109.4T107T107-E109 PolarHBondContact O-N 3.22Å
110R40.2Very low36Very low219 Ų219132 Ų13283%0.82676%0.756SS**  trans-70.4133.7-178.8-70.2173.9159120.3-9.2109.9
111A31.8Very low35.4Very low89 Ų89135.2 Ų135.274%0.73677%0.767SS**  trans-169.9109.214100000112.4
112L33Very low34.8Very low182 Ų182140.1 Ų140.195%0.95379%0.785SS**  trans41.9121.9130.6-56.3170000120.5
113G27.5Very low34.3Very low72 Ų72142.5 Ų142.574%0.74280%0.798SS**  trans139.5100.4137.500000119
114L28.8Very low34.3Very low177 Ų177143 Ų14393%0.92780%0.801SS**  trans72.9145.7144-72.7159.1000122.5
115P43.5Very low33.7Very low121 Ų121140.4 Ų140.479%0.78681%0.806SS**  trans-94.5144.6-171.337.6-31.8000113
116G28.9Very low33.7Very low76 Ų76140.2 Ų140.278%0.78481%0.808SS**  trans-154108.7176.600000112.1
117D41.7Very low33.6Very low152 Ų152143.5 Ų143.581%0.81382%0.816SS**  trans-36.8136.4167.7-17741.3000114.8
118L36.6Very low33.8Very low164 Ų164146 Ų14686%0.85982%0.819SS**  trans-162.183.1154.7-102.5156.8000108.7
119G31.8Very low33.7Very low58 Ų58148.4 Ų148.460%0.59883%0.829SS**  trans-60.2142.116300000111.7
120C32.4Very low33.4Very low123 Ų123142.8 Ų142.883%0.83182%0.822SS**  trans-120.8114.6165-77.20000109.3
121R30.9Very low32.8Very low232 Ų232140.3 Ų140.388%0.87582%0.821SS**  trans-62.3137.2-175.1-62.2174172.6-169.5-3.8111.3L123R121-L123 PolarHBondContact O-N 3.09Å
122F30.8Very low32.6Very low208 Ų208142.6 Ų142.691%0.91283%0.827SS**  trans-59.2124.9156.2-81.1-97.4000108.6
123L30.5Very low32.6Very low163 Ų163139.2 Ų139.285%0.85381%0.813SS**  trans-108.9121.9160.5-76178.5000109.3R121R121-L123 PolarHBondContact O-N 3.09Å
124P38.3Very low32.7Very low126 Ų126142.4 Ų142.482%0.81882%0.818SS**  trans-82.9142.517134-29.6000109.4
125G25.7Very low32.7Very low78 Ų78139.3 Ų139.380%0.80481%0.806SS**  trans-157.478.5177.300000111.6
126S35.6Very low32.1Very low115 Ų115139.9 Ų139.980%0.80481%0.808SS**  trans-72.2141.1154.564.40000108.6
127Q35.3Very low32.3Very low179 Ų179142.2 Ų142.284%0.83681%0.809SS**  trans-155.7102.4151.7-98-76.125.100107.4
128Q40.6Very low31.6Very low185 Ų185142.6 Ų142.686%0.86481%0.806SS**  trans-78.9124.7159.1-72.3176.7-40.800108.6
129K30.7Very low31.1Very low209 Ų209142.8 Ų142.891%0.90980%0.802SS**  trans172.3139.4150.5-112.3172.2169.7177.40107.8
130G26.8Very low31Very low70 Ų70148.7 Ų148.772%0.72281%0.814SS**  cis-167.1165.39.100000110.9
131M26.7Very low31.4Very low167 Ų167147.7 Ų147.782%0.82381%0.806SS**  trans-65.8135.4174.3-179.9102.483.600111.4V133M131-V133 HydrophobicContact CG-CG2 4.27Å; M131-V133 HydrophobicContact SD-CG2 4.02Å
132T29.3Very low31.1Very low138 Ų138144.9 Ų144.985%0.84781%0.808SS**  trans-140.9110147.249.40000110
133V31.8Very low30.8Very low111 Ų111137.7 Ų137.767%0.67379%0.793SS**  trans-81130.3165170.30000107.6M131M131-V133 HydrophobicContact CG-CG2 4.27Å; M131-V133 HydrophobicContact SD-CG2 4.02Å
134V29.4Very low30.6Very low138 Ų138138.5 Ų138.584%0.83680%0.797SS**  trans-138.9134.9156179.70000108.7
135T29.8Very low30.1Very low112 Ų112136.2 Ų136.269%0.68779%0.788SS**  trans-81.9135-169.1470000114.1
136V30.4Very low30.1Very low134 Ų134141.7 Ų141.781%0.81280%0.795SS**  trans20.4136.2131.9-173.20000117.2
137P32.5Very low29.7Very low125 Ų125139.5 Ų139.581%0.81279%0.791SS**  -152.7171.571.338.1-13.6000121.7
138E27.9Very low29.5Very low159 Ų159138.7 Ų138.774%0.74379%0.792SS**  trans-51156.7174.5-168.8-171.591.100116.5
139Q26.4Very low28.8Very low169 Ų169138.8 Ų138.879%0.7979%0.792SS**  trans135.1120.1140.1-69176.9-17.400116.4
140Q29.4Very low28.7Very low182 Ų182132.7 Ų132.785%0.8579%0.789SS**  trans-66.7157.1157.2-169.9164.32.400108.6
141P40.6Very low28.8Very low101 Ų101136.7 Ų136.766%0.65680%0.798SS**  -163.8-177.757.243.2-18.7000119.8
142L24.9Very low28.8Very low173 Ų173132.2 Ų132.291%0.90680%0.796SS**  trans61.2146.2150.2-69.9153.4000119
143G23.8Very low29.2Very low58 Ų58134.2 Ų134.260%0.59880%0.8SS**  cis161.2176.18.500000109.4
144L26.8Very low29.1Very low179 Ų179136.8 Ų136.894%0.93781%0.81SS**  trans82.3140.4157.3-65.3147.1000118.8
145A27.1Very low29.2Very low78 Ų78133.1 Ų133.165%0.64580%0.8SS**  cis-170.2161.35.900000113.8
146M26.4Very low29.2Very low193 Ų193133.6 Ų133.695%0.95181%0.808SS**  trans56.9147.3140.8-81.9176.2157.800121.7
147G27.4Very low29.4Very low69 Ų69136.4 Ų136.471%0.71181%0.812SS**  cis-165.4-169.77.400000107.7
148L30.2Very low29.5Very low163 Ų163134.1 Ų134.185%0.85381%0.811SS**  cis-160.9172.12.9-102.6156.5000106.2
149E27Very low29.9Very low187 Ų187133.6 Ų133.687%0.87481%0.809SS**  trans-81.6164.9-158.2-54.5171.1101.800116.1
150G28.1Very low30.2Very low81 Ų81137.5 Ų137.584%0.83582%0.816SS**  trans-170.7113.6168.200000113.4
151V28.1Very low30.5Very low153 Ų153137.6 Ų137.693%0.92781%0.809SS**  trans-84.9152.8-172.1171.30000112.8
152G27.9Very low30.4Very low74 Ų74138.8 Ų138.876%0.76381%0.814SS**  trans147.5122.9149.500000117.4
153L38Very low31.4Very low179 Ų179136 Ų13694%0.93781%0.806SS**  trans-81.8145.9168.9-64.1151.3000110.6
154D29Very low32.3Very low166 Ų166136.5 Ų136.589%0.88881%0.811SS**  -176.6148.4127.5-155.2-130.9000111.1
155G31.8Very low33.4Very low61 Ų61134.2 Ų134.263%0.62981%0.808SS**  trans-91.4163.2-178.500000114.1
156S29.7Very low34.5Very low122 Ų122137.7 Ų137.785%0.85382%0.82SS**  trans-170.9154.3146.4-152.20000111.7
157E34.8Very low35.4Very low192 Ų192132.1 Ų132.190%0.89781%0.813SS**  trans-85.8150.1-165.3-55.6164.1114.800110.9
158G33.8Very low36.9Very low77 Ų77132.8 Ų132.879%0.79482%0.819SS**  trans-155.470.2-17800000111.8R160G158-R160 PolarHBondContact O-N 3.01Å
159E36Very low37.9Very low148 Ų148128.2 Ų128.269%0.69281%0.812SS**  trans-60.9119.3167.3-176.4163.1109.400110.1R161E159-R161 IonicContact OE1-CZ 2.67Å; E159-R161 IonicContact OE1-NH1 3.93Å; E159-R161 PolarHBondContact OE1-NH1 3.43Å; E159-R161 IonicContact OE2-NH1 3.72Å; E159-R161 IonicContact OE2-NH2 3.9Å
160R34.1Very low39.1Very low251 Ų251128.5 Ų128.595%0.94781%0.81SS**  trans-142.3110.7152-114-179.4-146.8-133.64.3111.3G158G158-R160 PolarHBondContact O-N 3.01Å
161R35.4Very low40.4Very low184 Ų184127.8 Ų127.869%0.69480%0.803SS**  trans-70.3138.7173.7-85.5-171.3-176.692.36.1112.1E159E159-R161 IonicContact OE1-CZ 2.67Å; E159-R161 IonicContact OE1-NH1 3.93Å; E159-R161 PolarHBondContact OE1-NH1 3.43Å; E159-R161 IonicContact OE2-NH1 3.72Å; E159-R161 IonicContact OE2-NH2 3.9Å
162V39Very low41.9Very low127 Ų127125.7 Ų125.777%0.7780%0.795SS**  trans81.6149.2130.4174.70000116.6
163P44.8Very low43.5Very low114 Ų114127 Ų12774%0.7479%0.788SS**  cis-124.3157.18.121.71.9000115.8
164G43.3Very low44.5Very low68 Ų68128.5 Ų128.570%0.70178%0.782SS**  trans-79.7176.316200000112.5
165P49.3Very low46.4Very low132 Ų132124.1 Ų124.186%0.85776%0.764SS**  trans-94.6131.414828.5-16.6000109.9
166V51.3Low48.8Very low150 Ų150122.8 Ų122.891%0.90975%0.75SS**  trans-54.5132.5169.9168.30000110.8
167G43.6Very low51.5Low77 Ų77121 Ų12179%0.79473%0.734SS**  trans-157.547.9169.800000110.9
168G59Low54Low82 Ų82114.8 Ų114.885%0.84571%0.711SS**  trans-73.5123.7173.300000110.9
169G52Low56.6Low68 Ų68114.6 Ų114.670%0.70170%0.695SS**  trans168.587.6170.300000115.6
170K53.3Low59.4Low192 Ų192112.4 Ų112.484%0.83569%0.691SS**  trans72.873.5151.9-55.9174.5169.3-177.30118.3
171G54.7Low62.3Low67 Ų67105 Ų10569%0.69167%0.669SS**  trans-84.4-4.2173.800000117.2
172S59.7Low65.1Low108 Ų108101.1 Ų101.176%0.75566%0.662SS**Hα-helixtrans-82.6-42.1-171.4169.20000113.7
173T60.6Low67.8Low102 Ų10299.2 Ų99.263%0.62665%0.65SS**Hα-helixtrans-82.1-22.1-178.549.40000113.4G176 V177T173-G176 PolarHBondContact O-N 2.9Å; T173-V177 VanDerWaalsContact O-CG2 3.3Å; T173-V177 WeakPolarHBondContact O-CG2 3.41Å; T173-V177 PolarHBondContact O-N 2.71Å; T173-V177 VanDerWaalsContact O-N 3.12Å
174W58.8Low70.3Confident210 Ų21096 Ų9680%0.79563%0.633SS**Hα-helixtrans-66.8-38.1178.7-173.7-90.6000112.7C178W174-C178 WeakPolarHBondContact O-CB 3.29Å; W174-C178 PolarHBondContact O-N 3.15Å
175S70.1Confident72.8Confident74 Ų7496.1 Ų96.152%0.51762%0.623SS.*Hα-helixtrans-66.3-43.2177.7-1750000111.7C178 T179S175-C178 WeakPolarHBondContact O-CB 3.33Å; S175-C178 PolarHBondContact O-N 2.83Å; S175-T179 WeakPolarHBondContact O-CG2 3.34Å; S175-T179 PolarHBondContact O-N 3.48Å; S175-T179 PolarHBondContact O-OG1 3.35Å
176G80.8Confident75.1Confident33 Ų3394 Ų9434%0.3461%0.607SS.*Hα-helixtrans-66.2-39.5177.500000113.3T173 C178 T179 V180T173-G176 PolarHBondContact O-N 2.9Å; G176-C178 VanDerWaalsContact C-N 3.34Å; G176-T179 PolarHBondContact O-N 3.35Å; G176-T179 PolarHBondContact O-OG1 3.21Å; G176-V180 VanDerWaalsContact O-CG2 3.23Å; G176-V180 WeakPolarHBondContact O-CG2 3.3Å; G176-V180 PolarHBondContact O-N 2.75Å
177V88.3Confident77.3Confident86 Ų8692 Ų9252%0.52159%0.591SS.*Hα-helixtrans-65.6-40.3175.5174.30000110.7T173 V180 I181T173-V177 VanDerWaalsContact O-CG2 3.3Å; T173-V177 WeakPolarHBondContact O-CG2 3.41Å; T173-V177 PolarHBondContact O-N 2.71Å; T173-V177 VanDerWaalsContact O-N 3.12Å; V177-V180 PolarHBondContact O-N 3.48Å; V177-I181 HydrophobicContact CG1-CD1 3.7Å; V177-I181 HydrophobicContact CG1-CG1 4.39Å; V177-I181 WeakPolarHBondContact O-CB 3.07Å; V177-I181 WeakPolarHBondContact O-CD1 3.15Å; V177-I181 WeakPolarHBondContact O-CG1 3.16Å; V177-I181 PolarHBondContact O-N 2.78Å
178C86.8Confident79.9Confident60 Ų6094 Ų9441%0.40558%0.583SS.*Hα-helixtrans-61.2-46.2175.8-171.50000112W174 S175 G176 V180 I181 L182W174-C178 WeakPolarHBondContact O-CB 3.29Å; W174-C178 PolarHBondContact O-N 3.15Å; S175-C178 WeakPolarHBondContact O-CB 3.33Å; S175-C178 PolarHBondContact O-N 2.83Å; G176-C178 VanDerWaalsContact C-N 3.34Å; C178-V180 PolarHBondContact O-N 2.77Å; C178-I181 PolarHBondContact O-N 3.31Å; C178-L182 WeakPolarHBondContact O-CB 3.19Å; C178-L182 VanDerWaalsContact O-CG 3.27Å; C178-L182 WeakPolarHBondContact O-CG 3.22Å; C178-L182 PolarHBondContact O-N 3.03Å
179T89.1Confident81.7Confident73 Ų7396.9 Ų96.945%0.44857%0.572SS.*Hα-helixtrans-66.3-39.5179.356.10000112.4S175 G176 I181 L182 V183S175-T179 WeakPolarHBondContact O-CG2 3.34Å; S175-T179 PolarHBondContact O-N 3.48Å; S175-T179 PolarHBondContact O-OG1 3.35Å; G176-T179 PolarHBondContact O-N 3.35Å; G176-T179 PolarHBondContact O-OG1 3.21Å; T179-I181 PolarHBondContact O-N 3.49Å; T179-L182 PolarHBondContact O-N 3.2Å; T179-V183 WeakPolarHBondContact O-CB 3.34Å; T179-V183 VanDerWaalsContact O-CG2 3.27Å; T179-V183 WeakPolarHBondContact O-CG2 3.34Å; T179-V183 PolarHBondContact O-N 3.46Å
180V94.6Very high83.8Confident102 Ų10298 Ų9862%0.61856%0.561SS**Hα-helixtrans-62.5-43.3175.4172.60000111.1G176 V177 C178 V183 A184G176-V180 VanDerWaalsContact O-CG2 3.23Å; G176-V180 WeakPolarHBondContact O-CG2 3.3Å; G176-V180 PolarHBondContact O-N 2.75Å; V177-V180 PolarHBondContact O-N 3.48Å; C178-V180 PolarHBondContact O-N 2.77Å; V180-V183 PolarHBondContact O-N 3.44Å; V180-A184 VanDerWaalsContact O-CB 3.32Å; V180-A184 WeakPolarHBondContact O-CB 3.43Å; V180-A184 PolarHBondContact O-N 3.1Å
181I94.3Very high85.9Confident96 Ų9693.2 Ų93.249%0.49255%0.545SS..Hα-helixtrans-63.9-45.2176.5-68.3167.4000110.7V177 C178 T179 V183 A184 C185V177-I181 HydrophobicContact CG1-CD1 3.7Å; V177-I181 HydrophobicContact CG1-CG1 4.39Å; V177-I181 WeakPolarHBondContact O-CB 3.07Å; V177-I181 WeakPolarHBondContact O-CD1 3.15Å; V177-I181 WeakPolarHBondContact O-CG1 3.16Å; V177-I181 PolarHBondContact O-N 2.78Å; C178-I181 PolarHBondContact O-N 3.31Å; T179-I181 PolarHBondContact O-N 3.49Å; I181-V183 PolarHBondContact O-N 3.03Å; I181-A184 PolarHBondContact O-N 3.36Å; I181-C185 WeakPolarHBondContact O-CB 3.46Å; I181-C185 PolarHBondContact O-N 2.82Å; I181-C185 PolarHBondContact O-SG 2.77Å
182L93.8Very high87.8Confident103 Ų10391.9 Ų91.954%0.53953%0.53SS..Hα-helixtrans-61.9-45178.8-71.4174.7000111.9C178 T179 C185 V186C178-L182 WeakPolarHBondContact O-CB 3.19Å; C178-L182 VanDerWaalsContact O-CG 3.27Å; C178-L182 WeakPolarHBondContact O-CG 3.22Å; C178-L182 PolarHBondContact O-N 3.03Å; T179-L182 PolarHBondContact O-N 3.2Å; L182-C185 PolarHBondContact O-N 2.8Å; L182-V186 WeakPolarHBondContact O-CG2 3.49Å; L182-V186 PolarHBondContact O-N 3.29Å
183V96.4Very high89.5Confident86 Ų8690.8 Ų90.852%0.52152%0.515SS..Hα-helixtrans-62.3-44.6176.4172.30000110.6T179 V180 I181 C185 V186 L187T179-V183 WeakPolarHBondContact O-CB 3.34Å; T179-V183 VanDerWaalsContact O-CG2 3.27Å; T179-V183 WeakPolarHBondContact O-CG2 3.34Å; T179-V183 PolarHBondContact O-N 3.46Å; V180-V183 PolarHBondContact O-N 3.44Å; I181-V183 PolarHBondContact O-N 3.03Å; V183-C185 PolarHBondContact O-N 3.42Å; V183-V186 PolarHBondContact O-N 2.9Å; V183-L187 HydrophobicContact CG1-CD1 4.04Å; V183-L187 HydrophobicContact CG1-CG 4.4Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.14Å; V183-L187 PolarHBondContact O-N 3.49Å
184A96.7Very high91.2Very high46 Ų4689.8 Ų89.838%0.3851%0.509SS..Hα-helixtrans-60-44.1175.900000112.1V180 I181 V186 L187 L188V180-A184 VanDerWaalsContact O-CB 3.32Å; V180-A184 WeakPolarHBondContact O-CB 3.43Å; V180-A184 PolarHBondContact O-N 3.1Å; I181-A184 PolarHBondContact O-N 3.36Å; A184-V186 PolarHBondContact O-N 2.92Å; A184-L187 PolarHBondContact O-N 3.25Å; A184-L188 WeakPolarHBondContact O-CB 3.23Å; A184-L188 WeakPolarHBondContact O-CG 3.28Å; A184-L188 PolarHBondContact O-N 2.98Å
185C96.8Very high92.6Very high72 Ų7284.2 Ų84.249%0.48649%0.494SS..Hα-helixtrans-61.1-43.6176.1-72.60000112.3I181 L182 V183 L188 F189I181-C185 WeakPolarHBondContact O-CB 3.46Å; I181-C185 PolarHBondContact O-N 2.82Å; I181-C185 PolarHBondContact O-SG 2.77Å; L182-C185 PolarHBondContact O-N 2.8Å; V183-C185 PolarHBondContact O-N 3.42Å; C185-L188 PolarHBondContact O-N 2.73Å; C185-F189 WeakPolarHBondContact O-CB 3.47Å; C185-F189 PolarHBondContact O-N 2.88Å
186V97.3Very high93.5Very high86 Ų8686.9 Ų86.952%0.52150%0.498SS..Hα-helixtrans-63.4-44.8177.3171.70000110.8L182 V183 A184 L188 F189 L190L182-V186 WeakPolarHBondContact O-CG2 3.49Å; L182-V186 PolarHBondContact O-N 3.29Å; V183-V186 PolarHBondContact O-N 2.9Å; A184-V186 PolarHBondContact O-N 2.92Å; V186-L188 PolarHBondContact O-N 3.23Å; V186-F189 PolarHBondContact O-N 3.46Å; V186-L190 HydrophobicContact CG1-CD1 4.03Å; V186-L190 HydrophobicContact CG1-CG 4.36Å; V186-L190 VanDerWaalsContact O-CG 3.31Å; V186-L190 WeakPolarHBondContact O-CG 3.35Å; V186-L190 PolarHBondContact O-N 3.19Å
187L97.3Very high93.8Very high109 Ų10989.3 Ų89.357%0.57150%0.503SS*.Hα-helixtrans-62.9-42.9178-69.2175000112.1V183 A184 F189 L190 L191V183-L187 HydrophobicContact CG1-CD1 4.04Å; V183-L187 HydrophobicContact CG1-CG 4.4Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.14Å; V183-L187 PolarHBondContact O-N 3.49Å; A184-L187 PolarHBondContact O-N 3.25Å; L187-F189 VanDerWaalsContact C-N 3.35Å; L187-L190 PolarHBondContact O-N 2.82Å; L187-L191 VanDerWaalsContact O-CB 3.29Å; L187-L191 WeakPolarHBondContact O-CB 3.43Å; L187-L191 PolarHBondContact O-N 3.45Å
188L97.1Very high93.7Very high120 Ų12089.5 Ų89.563%0.62850%0.5SS*.Hα-helixtrans-64.2-39.2175.6-72174.5000112A184 C185 V186 L191 G192A184-L188 WeakPolarHBondContact O-CB 3.23Å; A184-L188 WeakPolarHBondContact O-CG 3.28Å; A184-L188 PolarHBondContact O-N 2.98Å; C185-L188 PolarHBondContact O-N 2.73Å; V186-L188 PolarHBondContact O-N 3.23Å; L188-L191 PolarHBondContact O-N 2.86Å; L188-G192 PolarHBondContact O-N 3.44Å
189F97.5Very high93.5Very high142 Ų14290.1 Ų90.162%0.62351%0.505SS*.Hα-helixtrans-65.7-45.7176.6-176-105.7000111.8C185 V186 L187 L191 G192 I193C185-F189 WeakPolarHBondContact O-CB 3.47Å; C185-F189 PolarHBondContact O-N 2.88Å; V186-F189 PolarHBondContact O-N 3.46Å; L187-F189 VanDerWaalsContact C-N 3.35Å; F189-L191 VanDerWaalsContact C-N 3.35Å; F189-G192 PolarHBondContact O-N 2.94Å; F189-I193 HydrophobicContact CD1-CD1 3.67Å; F189-I193 HydrophobicContact CD1-CG1 4.5Å; F189-I193 HydrophobicContact CE1-CD1 3.29Å; F189-I193 HydrophobicContact CE1-CG1 4.23Å; F189-I193 HydrophobicContact CG-CD1 4.5Å; F189-I193 HydrophobicContact CZ-CD1 3.83Å; F189-I193 HydrophobicContact CZ-CG1 4.39Å; F189-I193 WeakPolarHBondContact O-CG1 3.34Å; F189-I193 PolarHBondContact O-N 3.44Å
190L96.8Very high92.7Very high90 Ų9089.3 Ų89.347%0.47150%0.502SS..Hα-helixtrans-62.3-42.9175.2-69.1177000111.5V186 L187 G192 I193 V194V186-L190 HydrophobicContact CG1-CD1 4.03Å; V186-L190 HydrophobicContact CG1-CG 4.36Å; V186-L190 VanDerWaalsContact O-CG 3.31Å; V186-L190 WeakPolarHBondContact O-CG 3.35Å; V186-L190 PolarHBondContact O-N 3.19Å; L187-L190 PolarHBondContact O-N 2.82Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 3.5Å; L190-I193 PolarHBondContact O-N 3.49Å; L190-V194 WeakPolarHBondContact O-CG2 3.26Å; L190-V194 PolarHBondContact O-N 3.34Å
191L96.4Very high91.4Very high93 Ų9387.5 Ų87.549%0.48749%0.488SS..Hα-helixtrans-61.4-41.4174-175.663.7000110.9L187 L188 F189 I193 V194 L195L187-L191 VanDerWaalsContact O-CB 3.29Å; L187-L191 WeakPolarHBondContact O-CB 3.43Å; L187-L191 PolarHBondContact O-N 3.45Å; L188-L191 PolarHBondContact O-N 2.86Å; F189-L191 VanDerWaalsContact C-N 3.35Å; L191-I193 PolarHBondContact O-N 2.91Å; L191-V194 PolarHBondContact O-N 3.28Å; L191-L195 HydrophobicContact CD1-CD1 4.25Å; L191-L195 HydrophobicContact CD1-CG 4.16Å; L191-L195 HydrophobicContact CD2-CD1 4.45Å; L191-L195 HydrophobicContact CG-CD1 3.88Å; L191-L195 HydrophobicContact CG-CG 4.21Å; L191-L195 VanDerWaalsContact O-CB 3.28Å; L191-L195 WeakPolarHBondContact O-CB 3.32Å; L191-L195 VanDerWaalsContact O-CG 3.23Å; L191-L195 WeakPolarHBondContact O-CG 3.49Å; L191-L195 PolarHBondContact O-N 2.93Å
192G95.6Very high89.9Confident38 Ų3886 Ų8639%0.39249%0.486SS..Hα-helixtrans-60-43.2173.700000112.7L188 F189 L190 H196L188-G192 PolarHBondContact O-N 3.44Å; F189-G192 PolarHBondContact O-N 2.94Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 3.5Å; G192-H196 WeakPolarHBondContact O-CB 3.37Å; G192-H196 PolarHBondContact O-N 2.96Å
193I95.4Very high88.4Confident85 Ų8588.7 Ų88.744%0.43649%0.493SS..Hα-helixtrans-63.2-45.8174.7-68.9166.3000110.9F189 L190 L191 H196 N197F189-I193 HydrophobicContact CD1-CD1 3.67Å; F189-I193 HydrophobicContact CD1-CG1 4.5Å; F189-I193 HydrophobicContact CE1-CD1 3.29Å; F189-I193 HydrophobicContact CE1-CG1 4.23Å; F189-I193 HydrophobicContact CG-CD1 4.5Å; F189-I193 HydrophobicContact CZ-CD1 3.83Å; F189-I193 HydrophobicContact CZ-CG1 4.39Å; F189-I193 WeakPolarHBondContact O-CG1 3.34Å; F189-I193 PolarHBondContact O-N 3.44Å; L190-I193 PolarHBondContact O-N 3.49Å; L191-I193 PolarHBondContact O-N 2.91Å; I193-H196 PolarHBondContact O-N 3.24Å; I193-N197 VanDerWaalsContact O-CB 3.26Å; I193-N197 WeakPolarHBondContact O-CB 3.31Å; I193-N197 PolarHBondContact O-N 3.45Å
194V95.1Very high86.7Confident81 Ų8190.2 Ų90.249%0.49149%0.49SS..Hα-helixtrans-65.2-44.9179.5172.30000110.6L190 L191 N197 M198L190-V194 WeakPolarHBondContact O-CG2 3.26Å; L190-V194 PolarHBondContact O-N 3.34Å; L191-V194 PolarHBondContact O-N 3.28Å; V194-N197 WeakPolarHBondContact O-CB 3.29Å; V194-N197 PolarHBondContact O-N 3.31Å; V194-M198 HydrophobicContact CG1-CG 4.26Å; V194-M198 WeakPolarHBondContact O-CB 3.44Å; V194-M198 WeakPolarHBondContact O-CG 3.33Å; V194-M198 PolarHBondContact O-N 3.3Å
195L88.7Confident84.7Confident93 Ų9394.8 Ų94.849%0.48750%0.501SS..Hα-helixtrans-66.6-37.8177-71.9176.6000112L191 M198 S199L191-L195 HydrophobicContact CD1-CD1 4.25Å; L191-L195 HydrophobicContact CD1-CG 4.16Å; L191-L195 HydrophobicContact CD2-CD1 4.45Å; L191-L195 HydrophobicContact CG-CD1 3.88Å; L191-L195 HydrophobicContact CG-CG 4.21Å; L191-L195 VanDerWaalsContact O-CB 3.28Å; L191-L195 WeakPolarHBondContact O-CB 3.32Å; L191-L195 VanDerWaalsContact O-CG 3.23Å; L191-L195 WeakPolarHBondContact O-CG 3.49Å; L191-L195 PolarHBondContact O-N 2.93Å; L195-M198 PolarHBondContact O-N 3.49Å; L195-S199 WeakPolarHBondContact O-CB 3.32Å; L195-S199 PolarHBondContact O-N 2.96Å; L195-S199 PolarHBondContact O-OG 3.49Å
196H88.4Confident82.6Confident130 Ų13095.9 Ų95.960%0.60251%0.505SS*.Hα-helixtrans-64.3-43.9172.3179-95.6000110.5G192 I193 S199 C200G192-H196 WeakPolarHBondContact O-CB 3.37Å; G192-H196 PolarHBondContact O-N 2.96Å; I193-H196 PolarHBondContact O-N 3.24Å; H196-S199 PolarHBondContact O-N 2.86Å; H196-C200 VanDerWaalsContact CE1-SG 3.53Å; H196-C200 WeakPolarHBondContact O-CB 3.31Å; H196-C200 PolarHBondContact O-N 2.92Å; H196-C200 PolarHBondContact O-SG 3.34Å
197N87.4Confident80.5Confident84 Ų8497.3 Ų97.345%0.44951%0.514SS..Hα-helixtrans-61.7-46.5175.7-174.8-96.3000111.7I193 V194 C200 I201I193-N197 VanDerWaalsContact O-CB 3.26Å; I193-N197 WeakPolarHBondContact O-CB 3.31Å; I193-N197 PolarHBondContact O-N 3.45Å; V194-N197 WeakPolarHBondContact O-CB 3.29Å; V194-N197 PolarHBondContact O-N 3.31Å; N197-C200 PolarHBondContact O-N 2.9Å; N197-I201 VanDerWaalsContact O-CB 3.24Å; N197-I201 WeakPolarHBondContact O-CB 3.27Å; N197-I201 WeakPolarHBondContact O-CG1 3.49Å; N197-I201 PolarHBondContact O-N 3.33Å; N197-I201 WeakPolarHBondContact OD1-CD1 3.21Å
198M85.6Confident78.4Confident90 Ų9098.7 Ų98.744%0.44352%0.521SS..Hα-helixtrans-64.8-38.7175.8-71.9-68.910200112.3V194 L195 I201 S202V194-M198 HydrophobicContact CG1-CG 4.26Å; V194-M198 WeakPolarHBondContact O-CB 3.44Å; V194-M198 WeakPolarHBondContact O-CG 3.33Å; V194-M198 PolarHBondContact O-N 3.3Å; L195-M198 PolarHBondContact O-N 3.49Å; M198-I201 HydrophobicContact CE-CD1 4.21Å; M198-I201 PolarHBondContact O-N 2.98Å; M198-S202 WeakPolarHBondContact O-CB 3.48Å; M198-S202 PolarHBondContact O-N 3.5Å; M198-S202 PolarHBondContact O-OG 3.43Å
199S82.6Confident76.1Confident73 Ų7397.9 Ų97.951%0.5153%0.525SS..Hα-helixtrans-70.6-42.9177.6-61.90000111.2L195 H196 I201 S202 K203L195-S199 WeakPolarHBondContact O-CB 3.32Å; L195-S199 PolarHBondContact O-N 2.96Å; L195-S199 PolarHBondContact O-OG 3.49Å; H196-S199 PolarHBondContact O-N 2.86Å; S199-I201 VanDerWaalsContact C-N 3.32Å; S199-I201 PolarHBondContact O-N 3.29Å; S199-S202 PolarHBondContact O-N 2.93Å; S199-K203 WeakPolarHBondContact O-CB 3.27Å; S199-K203 PolarHBondContact O-N 3.03Å
200C72.9Confident73.5Confident57 Ų5796.6 Ų96.639%0.38553%0.533SS..Hα-helixtrans-64.9-35.4174.6-71.80000112.2H196 N197 R204H196-C200 VanDerWaalsContact CE1-SG 3.53Å; H196-C200 WeakPolarHBondContact O-CB 3.31Å; H196-C200 PolarHBondContact O-N 2.92Å; H196-C200 PolarHBondContact O-SG 3.34Å; N197-C200 PolarHBondContact O-N 2.9Å; C200-R204 WeakPolarHBondContact O-CG 3.48Å; C200-R204 PolarHBondContact O-N 3.01Å
201I66.9Low70.8Confident63 Ų6399.7 Ų99.732%0.32359%0.586SS.*Hα-helixtrans-71.8-46.7173.5-83.7167.9000110.9N197 M198 S199 K203 R204 F205N197-I201 VanDerWaalsContact O-CB 3.24Å; N197-I201 WeakPolarHBondContact O-CB 3.27Å; N197-I201 WeakPolarHBondContact O-CG1 3.49Å; N197-I201 PolarHBondContact O-N 3.33Å; N197-I201 WeakPolarHBondContact OD1-CD1 3.21Å; M198-I201 HydrophobicContact CE-CD1 4.21Å; M198-I201 PolarHBondContact O-N 2.98Å; S199-I201 VanDerWaalsContact C-N 3.32Å; S199-I201 PolarHBondContact O-N 3.29Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 3.42Å; I201-R204 WeakPolarHBondContact O-CB 3.49Å; I201-R204 PolarHBondContact O-N 3.32Å; I201-F205 HydrophobicContact CG2-CD2 3.86Å; I201-F205 HydrophobicContact CG2-CE2 3.82Å; I201-F205 WeakPolarHBondContact O-CD2 3.47Å; I201-F205 PolarHBondContact O-N 3.05Å; I201-F205 VanDerWaalsContact O-N 3.16Å
202S63.6Low69.5Low65 Ų65100.1 Ų100.146%0.45559%0.591SS.*Hα-helixtrans-66.4-33.5-178.6-58.50000112.1M198 S199 R204 F205 T206M198-S202 WeakPolarHBondContact O-CB 3.48Å; M198-S202 PolarHBondContact O-N 3.5Å; M198-S202 PolarHBondContact O-OG 3.43Å; S199-S202 PolarHBondContact O-N 2.93Å; S202-R204 VanDerWaalsContact C-N 3.32Å; S202-R204 PolarHBondContact O-N 3.49Å; S202-F205 PolarHBondContact O-N 3.12Å; S202-T206 PolarHBondContact O-N 3.49Å; S202-T206 PolarHBondContact O-OG1 3.4Å
203K61.1Low68.2Low159 Ų159103.3 Ų103.369%0.69160%0.602SS**Hα-helixtrans-65.9-31171.1-116.7-178.4170.573.80112.8S199 I201 T206 V207S199-K203 WeakPolarHBondContact O-CB 3.27Å; S199-K203 PolarHBondContact O-N 3.03Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 3.42Å; K203-T206 WeakPolarHBondContact CA-OG1 3.4Å; K203-T206 PolarHBondContact O-OG1 3.36Å; K203-V207 WeakPolarHBondContact O-CG2 3.3Å
204R61.1Low66.7Low119 Ų119104.3 Ų104.345%0.44961%0.611SS.*Hα-helixtrans-72-34.1174.2-74.8-176.9-177.9-152.3-4.6112.5H32 W53 C200 I201 S202 I208H32-R204 PolarHBondContact NE2-NH1 3.25Å; W53-R204 VanDerWaalsContact CD1-NH2 3.3Å; C200-R204 WeakPolarHBondContact O-CG 3.48Å; C200-R204 PolarHBondContact O-N 3.01Å; I201-R204 WeakPolarHBondContact O-CB 3.49Å; I201-R204 PolarHBondContact O-N 3.32Å; S202-R204 VanDerWaalsContact C-N 3.32Å; S202-R204 PolarHBondContact O-N 3.49Å; R204-I208 WeakPolarHBondContact O-CD1 3.46Å; R204-I208 WeakPolarHBondContact O-CG1 3.23Å
205F55Low65Low142 Ų142105.7 Ų105.762%0.62362%0.618SS**Hα-helixtrans-82.2-31.2-179.5-76.2-72.4000113.6I201 S202 V207 I208I201-F205 HydrophobicContact CG2-CD2 3.86Å; I201-F205 HydrophobicContact CG2-CE2 3.82Å; I201-F205 WeakPolarHBondContact O-CD2 3.47Å; I201-F205 PolarHBondContact O-N 3.05Å; I201-F205 VanDerWaalsContact O-N 3.16Å; S202-F205 PolarHBondContact O-N 3.12Å; F205-V207 VanDerWaalsContact C-N 3.34Å; F205-V207 PolarHBondContact O-N 2.95Å; F205-I208 PolarHBondContact O-N 2.79Å
206T53.3Low63.5Low94 Ų94106.5 Ų106.558%0.57763%0.626SS**Hα-helixtrans-70.6-25.7178.537.80000113.8S202 K203 I208S202-T206 PolarHBondContact O-N 3.49Å; S202-T206 PolarHBondContact O-OG1 3.4Å; K203-T206 WeakPolarHBondContact CA-OG1 3.4Å; K203-T206 PolarHBondContact O-OG1 3.36Å; T206-I208 VanDerWaalsContact C-N 3.33Å
207V52.9Low61.9Low117 Ų117104.9 Ų104.971%0.70963%0.628SS**THydrogen-bonded Turntrans-74.8-21.3176.4177.80000112.6K203 F205K203-V207 WeakPolarHBondContact O-CG2 3.3Å; F205-V207 VanDerWaalsContact C-N 3.34Å; F205-V207 PolarHBondContact O-N 2.95Å
208I53.6Low60Low137 Ų137106.4 Ų106.470%0.70364%0.641SS**THydrogen-bonded Turntrans-85.9-16-179.6-50.4167000111.3R204 F205 T206R204-I208 WeakPolarHBondContact O-CD1 3.46Å; R204-I208 WeakPolarHBondContact O-CG1 3.23Å; F205-I208 PolarHBondContact O-N 2.79Å; T206-I208 VanDerWaalsContact C-N 3.33Å
209S49.1Very low58.1Low103 Ų103107.7 Ų107.772%0.7266%0.656SS**SBendtrans-98.6-2.2-171.7-164.60000115.2
210C41.7Very low56Low116 Ų116110.6 Ų110.678%0.78467%0.668SS**  trans-113.395.8172.6-98.40000109.8
211G41Very low54.5Low155 Ų155115.5 Ų115.5100%1.59869%0.694SS**  trans36.70145.300000119

Retrieved 211 of 211 residues in 95.4 ms (Link to these results)

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