A0A096NNN5_PAPAN Loading...

Tubulin polymerization promoting protein family member 2

AlphaFold DB (Q4R3A0), UniProt , Accession A0A096NNN5, Species PAPAN (Papio anubis, Olive baboon), Gene TPPP2, Length 170 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
1M55.7Low82.4Confident133 Ų13363.1 Ų63.166%0.65532%0.319SS*.  0-68.40-62.4-65.6-153.700111.4S3 E4 A5 E92M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.02Å; M1-S3 VanDerWaalsContact O-N 3.14Å; M1-E4 PolarHBondContact O-N 2.64Å; M1-A5 PolarHBondContact O-N 3.49Å; M1-E92 WeakPolarHBondContact CE-OE2 3.48Å; M1-E92 VanDerWaalsContact CG-OE2 3.28Å; M1-E92 WeakPolarHBondContact CG-OE2 3.3Å
2A61.7Low83.3Confident45 Ų4557.8 Ų57.837%0.37229%0.292SS..Hα-helixtrans-56.3-33.5-177.400000115A5 E6A2-A5 PolarHBondContact O-N 3.29Å; A2-E6 WeakPolarHBondContact O-CB 3.33Å; A2-E6 PolarHBondContact O-N 3.23Å
3S78Confident83.9Confident66 Ų6653.5 Ų53.546%0.46227%0.271SS..Hα-helixtrans-65.3-35.2177.3560000113.7M1 K7M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.02Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-K7 WeakPolarHBondContact O-CG 3.42Å; S3-K7 PolarHBondContact O-N 3.32Å; S3-K7 VanDerWaalsContact O-N 3.11Å
4E83.1Confident84.3Confident79 Ų7952.9 Ų52.937%0.36928%0.278SS..Hα-helixtrans-75.1-40.5177.3-68.7-54.9132.200110.6M1 E6 K7 T8M1-E4 PolarHBondContact O-N 2.64Å; E4-E6 PolarHBondContact O-N 3.38Å; E4-K7 WeakPolarHBondContact O-CB 3.48Å; E4-K7 PolarHBondContact O-N 3.05Å; E4-K7 VanDerWaalsContact O-N 3.13Å; E4-K7 IonicContact OE1-NZ 3.61Å; E4-K7 PolarHBondContact OE1-NZ 2.76Å; E4-K7 IonicContact OE2-NZ 2.71Å; E4-T8 PolarHBondContact O-N 2.87Å; E4-T8 PolarHBondContact O-OG1 2.98Å
5A86.3Confident84.5Confident2 Ų252.9 Ų52.92%0.01728%0.275CS..Hα-helixtrans-59.9-36.9173.200000112.2M1 A2 F9 Y95 M98M1-A5 PolarHBondContact O-N 3.49Å; A2-A5 PolarHBondContact O-N 3.29Å; A5-F9 VanDerWaalsContact O-CB 3.3Å; A5-F9 WeakPolarHBondContact O-CB 3.46Å; A5-F9 PolarHBondContact O-N 3.34Å; A5-Y95 HydrophobicContact CB-CD1 3.29Å; A5-Y95 HydrophobicContact CB-CD2 4.44Å; A5-Y95 HydrophobicContact CB-CE1 3.45Å; A5-Y95 VanDerWaalsContact CB-CE1 3.45Å; A5-Y95 HydrophobicContact CB-CG 3.83Å; A5-M98 HydrophobicContact CB-CE 4.36Å
6E89.7Confident84.5Confident86 Ų8653.4 Ų53.440%0.40230%0.297SS..Hα-helixtrans-67-40.6174.2-166.8173.3175.600112.3A2 E4 F9 N10 F67A2-E6 WeakPolarHBondContact O-CB 3.33Å; A2-E6 PolarHBondContact O-N 3.23Å; E4-E6 PolarHBondContact O-N 3.38Å; E6-F9 WeakPolarHBondContact O-CB 3.35Å; E6-F9 PolarHBondContact O-N 3.34Å; E6-N10 VanDerWaalsContact O-CG 3.23Å; E6-N10 PolarHBondContact O-N 2.8Å; E6-N10 PolarHBondContact O-ND2 3.01Å; E6-F67 HydrophobicContact CB-CD1 4.37Å; E6-F67 HydrophobicContact CB-CD2 4.49Å; E6-F67 HydrophobicContact CB-CE1 3.75Å; E6-F67 HydrophobicContact CB-CE2 3.94Å; E6-F67 HydrophobicContact CB-CZ 3.54Å; E6-F67 HydrophobicContact CG-CD1 3.93Å; E6-F67 HydrophobicContact CG-CD2 4.36Å; E6-F67 HydrophobicContact CG-CE1 3.8Å; E6-F67 HydrophobicContact CG-CE2 4.29Å; E6-F67 HydrophobicContact CG-CG 4.21Å; E6-F67 HydrophobicContact CG-CZ 4.02Å
7K89.8Confident84.1Confident99 Ų9954.3 Ų54.343%0.4330%0.299SS..Hα-helixtrans-61.6-48.4173.1-71.8170.8-174173.10111.2S3 E4 F9 N10 R11S3-K7 WeakPolarHBondContact O-CG 3.42Å; S3-K7 PolarHBondContact O-N 3.32Å; S3-K7 VanDerWaalsContact O-N 3.11Å; E4-K7 WeakPolarHBondContact O-CB 3.48Å; E4-K7 PolarHBondContact O-N 3.05Å; E4-K7 VanDerWaalsContact O-N 3.13Å; E4-K7 IonicContact OE1-NZ 3.61Å; E4-K7 PolarHBondContact OE1-NZ 2.76Å; E4-K7 IonicContact OE2-NZ 2.71Å; K7-F9 VanDerWaalsContact C-N 3.3Å; K7-F9 PolarHBondContact O-N 3.41Å; K7-N10 PolarHBondContact O-N 3.1Å; K7-R11 WeakPolarHBondContact O-CG 3.2Å; K7-R11 PolarHBondContact O-N 3.43Å
8T89.9Confident83.4Confident5 Ų558.6 Ų58.63%0.03133%0.333CS..Hα-helixtrans-59.7-43.4175.9-58.10000110.4E4 N10 R11 F12 M98E4-T8 PolarHBondContact O-N 2.87Å; E4-T8 PolarHBondContact O-OG1 2.98Å; T8-N10 PolarHBondContact O-N 3.26Å; T8-R11 PolarHBondContact O-N 3.34Å; T8-F12 HydrophobicContact CG2-CD2 3.78Å; T8-F12 HydrophobicContact CG2-CE2 3.8Å; T8-F12 WeakPolarHBondContact O-CD2 3.41Å; T8-F12 PolarHBondContact O-N 3.29Å; T8-M98 HydrophobicContact CG2-CB 4.24Å; T8-M98 HydrophobicContact CG2-CE 3.75Å; T8-M98 PolarHBondContact OG1-O 2.9Å
9F91.9Very high82.7Confident0 Ų061.9 Ų61.90%036%0.361CS..Hα-helixtrans-54.7-51.6174174.5-88.2000111.5A5 E6 K7 R11 F12 A13 M25 F67 F70A5-F9 VanDerWaalsContact O-CB 3.3Å; A5-F9 WeakPolarHBondContact O-CB 3.46Å; A5-F9 PolarHBondContact O-N 3.34Å; E6-F9 WeakPolarHBondContact O-CB 3.35Å; E6-F9 PolarHBondContact O-N 3.34Å; K7-F9 VanDerWaalsContact C-N 3.3Å; K7-F9 PolarHBondContact O-N 3.41Å; F9-R11 VanDerWaalsContact C-N 3.33Å; F9-R11 PolarHBondContact O-N 3.33Å; F9-F12 PolarHBondContact O-N 3.27Å; F9-A13 HydrophobicContact CE1-CB 4.33Å; F9-A13 WeakPolarHBondContact O-CB 3.34Å; F9-A13 PolarHBondContact O-N 2.96Å; F9-M25 HydrophobicContact CB-CE 4.28Å; F9-M25 HydrophobicContact CD1-CE 4.47Å; F9-M25 HydrophobicContact CD2-CB 4.41Å; F9-M25 HydrophobicContact CD2-CE 3.29Å; F9-M25 HydrophobicContact CD2-SD 4.11Å; F9-M25 HydrophobicContact CE2-CB 3.52Å; F9-M25 HydrophobicContact CE2-CE 3.59Å; F9-M25 HydrophobicContact CE2-CG 4.38Å; F9-M25 HydrophobicContact CE2-SD 4.01Å; F9-M25 HydrophobicContact CG-CE 3.78Å; F9-M25 HydrophobicContact CZ-CB 3.62Å; F9-M25 HydrophobicContact CZ-CE 4.31Å; F9-M25 WeakPolarHBondContact O-CE 3.31Å; F9-F67 HydrophobicContact CB-CD2 4.05Å; F9-F67 HydrophobicContact CB-CE2 4.29Å; F9-F67 HydrophobicContact CD1-CB 4.35Å; F9-F67 HydrophobicContact CD1-CD2 4.21Å; F9-F67 HydrophobicContact CD2-CD2 4.19Å; F9-F67 HydrophobicContact CE1-CB 4.25Å; F9-F67 AromaticContact CG-CD2 3.89Å; F9-F67 HydrophobicContact CG-CD2 3.89Å; F9-F70 HydrophobicContact CD2-CB 3.87Å; F9-F70 AromaticContact CD2-CD1 3.79Å; F9-F70 HydrophobicContact CD2-CD1 3.79Å; F9-F70 AromaticContact CD2-CD2 3.76Å; F9-F70 HydrophobicContact CD2-CD2 3.76Å; F9-F70 HydrophobicContact CD2-CE1 4.27Å; F9-F70 HydrophobicContact CD2-CE2 4.24Å; F9-F70 AromaticContact CD2-CG 3.51Å; F9-F70 HydrophobicContact CD2-CG 3.51Å; F9-F70 HydrophobicContact CD2-CZ 4.48Å; F9-F70 HydrophobicContact CE2-CB 3.62Å; F9-F70 HydrophobicContact CE2-CD1 4.44Å; F9-F70 HydrophobicContact CE2-CD2 4.02Å; F9-F70 AromaticContact CE2-CG 3.78Å; F9-F70 HydrophobicContact CE2-CG 3.78Å
10N91Very high82.1Confident61 Ų6160.9 Ų60.933%0.32636%0.357SS..Hα-helixtrans-61.5-40-179.1-68.1-19.9000112.2E6 K7 T8 A13 A14 G22E6-N10 VanDerWaalsContact O-CG 3.23Å; E6-N10 PolarHBondContact O-N 2.8Å; E6-N10 PolarHBondContact O-ND2 3.01Å; K7-N10 PolarHBondContact O-N 3.1Å; T8-N10 PolarHBondContact O-N 3.26Å; N10-A13 PolarHBondContact O-N 3.06Å; N10-A14 PolarHBondContact O-N 2.66Å; N10-G22 WeakPolarHBondContact CA-O 3.3Å; N10-G22 PolarHBondContact OD1-O 3.35Å
11R89.7Confident81.5Confident118 Ų11862.4 Ų62.445%0.44537%0.371SS..Hα-helixtrans-63.4-45.6177.4-68.8-175.6-169.8171.81.3112.1K7 T8 F9 F15 D102K7-R11 WeakPolarHBondContact O-CG 3.2Å; K7-R11 PolarHBondContact O-N 3.43Å; T8-R11 PolarHBondContact O-N 3.34Å; F9-R11 VanDerWaalsContact C-N 3.33Å; F9-R11 PolarHBondContact O-N 3.33Å; R11-F15 PolarHBondContact O-N 2.98Å; R11-D102 WeakPolarHBondContact CD-OD1 3.45Å; R11-D102 IonicContact CZ-OD1 2.73Å; R11-D102 IonicContact NE-OD1 3.52Å; R11-D102 VanDerWaalsContact NH1-CG 3.25Å; R11-D102 IonicContact NH1-OD1 3.04Å; R11-D102 PolarHBondContact NH1-OD1 3.4Å; R11-D102 IonicContact NH1-OD2 2.69Å; R11-D102 PolarHBondContact NH1-OD2 3.15Å
12F92.3Very high82.5Confident0 Ų056.4 Ų56.40%034%0.343CS..Hα-helixtrans-70.9-33175.8-83.5-98.1000112.1T8 F9 A14 F15 M25 N29 K32 L33 D36 P103T8-F12 HydrophobicContact CG2-CD2 3.78Å; T8-F12 HydrophobicContact CG2-CE2 3.8Å; T8-F12 WeakPolarHBondContact O-CD2 3.41Å; T8-F12 PolarHBondContact O-N 3.29Å; F9-F12 PolarHBondContact O-N 3.27Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 3.19Å; F12-F15 WeakPolarHBondContact O-CB 3.31Å; F12-F15 PolarHBondContact O-N 3.35Å; F12-M25 HydrophobicContact CB-CE 3.72Å; F12-N29 WeakPolarHBondContact O-CB 3.46Å; F12-N29 VanDerWaalsContact O-CG 3.3Å; F12-N29 PolarHBondContact O-ND2 3.45Å; F12-K32 HydrophobicContact CD1-CG 4.38Å; F12-K32 HydrophobicContact CE1-CG 4.12Å; F12-L33 HydrophobicContact CB-CB 4.23Å; F12-L33 HydrophobicContact CB-CD1 3.96Å; F12-L33 HydrophobicContact CB-CG 4.47Å; F12-L33 HydrophobicContact CD1-CB 3.61Å; F12-L33 HydrophobicContact CD1-CG 4.24Å; F12-L33 HydrophobicContact CD2-CD1 4.27Å; F12-L33 HydrophobicContact CD2-CG 4.28Å; F12-L33 VanDerWaalsContact CE1-CA 3.47Å; F12-L33 HydrophobicContact CE1-CB 4.05Å; F12-L33 HydrophobicContact CG-CB 3.87Å; F12-L33 HydrophobicContact CG-CD1 4.05Å; F12-L33 HydrophobicContact CG-CG 4.08Å; F12-D36 HydrophobicContact CE1-CB 3.97Å; F12-D36 HydrophobicContact CZ-CB 3.86Å; F12-P103 HydrophobicContact CD1-CB 3.83Å; F12-P103 HydrophobicContact CD2-CB 4.32Å; F12-P103 HydrophobicContact CD2-CG 4.46Å; F12-P103 HydrophobicContact CE1-CB 3.73Å; F12-P103 HydrophobicContact CE2-CB 4.25Å; F12-P103 HydrophobicContact CG-CB 4.13Å; F12-P103 HydrophobicContact CZ-CB 3.96Å
13A91.6Very high83.7Confident1 Ų158.3 Ų58.31%0.00835%0.35CS..Hα-helixtrans-65.1-37.5177.400000112.3F9 N10 S20 G22 E24 M25 N29F9-A13 HydrophobicContact CE1-CB 4.33Å; F9-A13 WeakPolarHBondContact O-CB 3.34Å; F9-A13 PolarHBondContact O-N 2.96Å; N10-A13 PolarHBondContact O-N 3.06Å; A13-S20 PolarHBondContact O-OG 2.94Å; A13-G22 WeakPolarHBondContact CB-O 3.27Å; A13-E24 WeakPolarHBondContact CB-O 3.47Å; A13-M25 HydrophobicContact CB-CB 4.15Å; A13-M25 HydrophobicContact CB-CE 4.09Å; A13-N29 PolarHBondContact O-ND2 2.78Å
14A89.3Confident84.3Confident46 Ų4659.2 Ų59.238%0.3835%0.347SS..Hα-helixtrans-81.6-13175.100000113.8N10 F12 G16 E17N10-A14 PolarHBondContact O-N 2.66Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 3.19Å; A14-G16 PolarHBondContact O-N 3.3Å; A14-E17 PolarHBondContact O-N 2.84Å
15F88.1Confident84.8Confident53 Ų5355.5 Ų55.523%0.23233%0.33CS..THydrogen-bonded Turntrans-66.4125.5-174.1-179.6-101.4000112.7R11 F12 E17 N29 K32 P103 T105R11-F15 PolarHBondContact O-N 2.98Å; F12-F15 WeakPolarHBondContact O-CB 3.31Å; F12-F15 PolarHBondContact O-N 3.35Å; F15-E17 PolarHBondContact O-N 2.81Å; F15-E17 VanDerWaalsContact O-N 3.14Å; F15-N29 PolarHBondContact O-ND2 3.02Å; F15-N29 PolarHBondContact O-OD1 2.88Å; F15-K32 HydrophobicContact CD1-CD 3.73Å; F15-K32 HydrophobicContact CE1-CD 3.53Å; F15-K32 HydrophobicContact CZ-CD 4.41Å; F15-P103 HydrophobicContact CB-CB 3.79Å; F15-P103 HydrophobicContact CB-CG 3.83Å; F15-P103 HydrophobicContact CD1-CB 4.12Å; F15-P103 HydrophobicContact CD2-CB 3.41Å; F15-P103 VanDerWaalsContact CD2-CB 3.41Å; F15-P103 HydrophobicContact CD2-CG 3.56Å; F15-P103 HydrophobicContact CE2-CB 3.93Å; F15-P103 HydrophobicContact CE2-CG 4.33Å; F15-P103 WeakPolarHBondContact CE2-O 3.37Å; F15-P103 HydrophobicContact CG-CB 3.49Å; F15-P103 VanDerWaalsContact CG-CB 3.49Å; F15-P103 HydrophobicContact CG-CG 3.87Å; F15-P103 HydrophobicContact CZ-CB 4.48Å; F15-T105 HydrophobicContact CE2-CG2 3.99Å; F15-T105 HydrophobicContact CZ-CG2 3.69Å
16G84.1Confident85.2Confident61 Ų6156.9 Ų56.963%0.62934%0.337SS*.THydrogen-bonded Turntrans65.910.5175.700000114.7A14A14-G16 PolarHBondContact O-N 3.3Å
17E77Confident85.4Confident68 Ų6855 Ų5532%0.31833%0.329SS..  trans-120.3101.1179.5-68-64155.700109.3A14 F15 S19 S20 N26 K28A14-E17 PolarHBondContact O-N 2.84Å; F15-E17 PolarHBondContact O-N 2.81Å; F15-E17 VanDerWaalsContact O-N 3.14Å; E17-S19 PolarHBondContact O-N 3.28Å; E17-S19 VanDerWaalsContact O-N 3.14Å; E17-S20 PolarHBondContact O-N 2.66Å; E17-N26 PolarHBondContact OE1-ND2 2.95Å; E17-K28 WeakPolarHBondContact OE1-CE 3.46Å; E17-K28 IonicContact OE1-NZ 2.76Å; E17-K28 PolarHBondContact OE1-NZ 2.92Å
18S71.5Confident85.5Confident132 Ų13256.1 Ų56.192%0.92333%0.334SS*.THydrogen-bonded Turntrans-63.2-21-177.7-50.90000113.9
19S70.7Confident85.6Confident122 Ų12256 Ų5685%0.85333%0.333SS*.THydrogen-bonded Turntrans-108.20.2-175.8-50.40000113.6E17E17-S19 PolarHBondContact O-N 3.28Å; E17-S19 VanDerWaalsContact O-N 3.14Å
20S70.1Confident85.8Confident41 Ų4156 Ų5629%0.28733%0.333SS..  trans-77.9130.7-177.4-179.30000110.7A13 E17 G22A13-S20 PolarHBondContact O-OG 2.94Å; E17-S20 PolarHBondContact O-N 2.66Å; S20-G22 PolarHBondContact O-N 3.22Å; S20-G22 PolarHBondContact OG-N 3.46Å; S20-G22 VanDerWaalsContact OG-N 3.15Å
21S70.1Confident85.9Confident92 Ų9254 Ų5464%0.64332%0.324SS*.  trans-69.4-7.1169.249.30000112.9T23S21-T23 PolarHBondContact O-N 2.73Å; S21-T23 PolarHBondContact OG-OG1 3.39Å
22G77.4Confident86Confident7 Ų750.1 Ų50.17%0.07231%0.311CS..SBendtrans73-0.4-172.700000114N10 A13 S20N10-G22 WeakPolarHBondContact CA-O 3.3Å; N10-G22 PolarHBondContact OD1-O 3.35Å; A13-G22 WeakPolarHBondContact CB-O 3.27Å; S20-G22 PolarHBondContact O-N 3.22Å; S20-G22 PolarHBondContact OG-N 3.46Å; S20-G22 VanDerWaalsContact OG-N 3.15Å
23T86.1Confident86.1Confident85 Ų8550.1 Ų50.152%0.52131%0.311SS..SBendtrans-84.9-22.1-177.756.90000113.5S21S21-T23 PolarHBondContact O-N 2.73Å; S21-T23 PolarHBondContact OG-OG1 3.39Å
24E91.6Very high86.2Confident86 Ų8650 Ų5040%0.40231%0.31SS..EExtended strand (participates in β ladder)trans-132.6148.9178.7-52.2-172.4150.500110.8A13 T64 I65A13-E24 WeakPolarHBondContact CB-O 3.47Å; E24-T64 HydrophobicContact CB-CG2 4.31Å; E24-T64 WeakPolarHBondContact OE2-CB 3.38Å; E24-T64 PolarHBondContact OE2-OG1 3.05Å; E24-I65 WeakPolarHBondContact CA-O 3.28Å
25M93.6Very high86.2Confident0 Ų054.8 Ų54.80%032%0.322CS..EExtended strand (participates in β ladder)trans-117.8129.7-173.7-172.7177.9-69.300111.2F9 F12 A13 N29 F30 L33 T64 I65F9-M25 HydrophobicContact CB-CE 4.28Å; F9-M25 HydrophobicContact CD1-CE 4.47Å; F9-M25 HydrophobicContact CD2-CB 4.41Å; F9-M25 HydrophobicContact CD2-CE 3.29Å; F9-M25 HydrophobicContact CD2-SD 4.11Å; F9-M25 HydrophobicContact CE2-CB 3.52Å; F9-M25 HydrophobicContact CE2-CE 3.59Å; F9-M25 HydrophobicContact CE2-CG 4.38Å; F9-M25 HydrophobicContact CE2-SD 4.01Å; F9-M25 HydrophobicContact CG-CE 3.78Å; F9-M25 HydrophobicContact CZ-CB 3.62Å; F9-M25 HydrophobicContact CZ-CE 4.31Å; F9-M25 WeakPolarHBondContact O-CE 3.31Å; F12-M25 HydrophobicContact CB-CE 3.72Å; A13-M25 HydrophobicContact CB-CB 4.15Å; A13-M25 HydrophobicContact CB-CE 4.09Å; M25-N29 HydrophobicContact CG-CB 3.85Å; M25-F30 HydrophobicContact CG-CB 4.2Å; M25-F30 VanDerWaalsContact SD-CA 3.52Å; M25-F30 HydrophobicContact SD-CB 3.87Å; M25-F30 HydrophobicContact SD-CD2 4.15Å; M25-L33 HydrophobicContact CE-CD1 3.68Å; M25-L33 HydrophobicContact SD-CD1 4.08Å; M25-T64 CarbonylContact O-C 3.46Å; M25-T64 WeakPolarHBondContact O-CA 3.47Å; M25-I65 HydrophobicContact CB-CG1 4.22Å; M25-I65 PolarHBondContact N-O 3.41Å; M25-I65 PolarHBondContact O-N 3.4Å
26N93.1Very high86.3Confident31 Ų3154.1 Ų54.117%0.16632%0.321CS..EExtended strand (participates in β ladder)trans-82.3167.8174.36831.9000111.9E17 K28 N29 F30 T64E17-N26 PolarHBondContact OE1-ND2 2.95Å; N26-K28 VanDerWaalsContact C-N 3.31Å; N26-K28 PolarHBondContact O-N 3.42Å; N26-K28 PolarHBondContact OD1-N 3.13Å; N26-N29 PolarHBondContact O-N 3.17Å; N26-N29 WeakPolarHBondContact OD1-CB 3.48Å; N26-N29 PolarHBondContact OD1-N 3.26Å; N26-F30 WeakPolarHBondContact O-CB 3.37Å; N26-F30 PolarHBondContact O-N 3.5Å; N26-T64 HydrophobicContact CB-CG2 4.12Å
27N94.2Very high86.6Confident46 Ų4651.4 Ų51.425%0.24629%0.292CS..Hα-helixtrans-61.7-37.1-176.3-16820.8000113.4N29 F30 S31 D51 F54N27-N29 PolarHBondContact O-N 3.47Å; N27-F30 PolarHBondContact O-N 3.17Å; N27-S31 WeakPolarHBondContact O-CB 3.49Å; N27-S31 PolarHBondContact O-N 2.81Å; N27-S31 PolarHBondContact O-OG 3.02Å; N27-S31 VanDerWaalsContact O-OG 3.14Å; N27-D51 PolarHBondContact ND2-OD1 3.17Å; N27-D51 PolarHBondContact OD1-OD1 3.36Å; N27-F54 HydrophobicContact CB-CD1 3.7Å; N27-F54 HydrophobicContact CB-CD2 4.25Å; N27-F54 HydrophobicContact CB-CE1 3.59Å; N27-F54 HydrophobicContact CB-CE2 4.12Å; N27-F54 HydrophobicContact CB-CG 4.05Å; N27-F54 HydrophobicContact CB-CZ 3.81Å; N27-F54 VanDerWaalsContact N-CZ 3.31Å; N27-F54 WeakPolarHBondContact OD1-CG 3.5Å
28K92.5Very high87.1Confident123 Ų12349.4 Ų49.454%0.53529%0.29SS..Hα-helixtrans-59.4-48177.2176.4-169.267.4-174.60110.9E17 N26 K32E17-K28 WeakPolarHBondContact OE1-CE 3.46Å; E17-K28 IonicContact OE1-NZ 2.76Å; E17-K28 PolarHBondContact OE1-NZ 2.92Å; N26-K28 VanDerWaalsContact C-N 3.31Å; N26-K28 PolarHBondContact O-N 3.42Å; N26-K28 PolarHBondContact OD1-N 3.13Å; K28-K32 WeakPolarHBondContact O-CB 3.49Å; K28-K32 PolarHBondContact O-N 3.5Å
29N92.6Very high88Confident2 Ų243.1 Ų43.11%0.01125%0.246CC..Hα-helixtrans-72.8-35.6-178.8-71.22.6000111.6F12 A13 F15 M25 N26 N27 K32 L33F12-N29 WeakPolarHBondContact O-CB 3.46Å; F12-N29 VanDerWaalsContact O-CG 3.3Å; F12-N29 PolarHBondContact O-ND2 3.45Å; A13-N29 PolarHBondContact O-ND2 2.78Å; F15-N29 PolarHBondContact O-ND2 3.02Å; F15-N29 PolarHBondContact O-OD1 2.88Å; M25-N29 HydrophobicContact CG-CB 3.85Å; N26-N29 PolarHBondContact O-N 3.17Å; N26-N29 WeakPolarHBondContact OD1-CB 3.48Å; N26-N29 PolarHBondContact OD1-N 3.26Å; N27-N29 PolarHBondContact O-N 3.47Å; N29-K32 PolarHBondContact O-N 3.32Å; N29-L33 WeakPolarHBondContact O-CB 3.42Å; N29-L33 PolarHBondContact O-N 3.06Å
30F94.7Very high88.9Confident0 Ų039.2 Ų39.20%022%0.215CC..Hα-helixtrans-62.6-48.2172.5180-117.3000111.9M25 N26 N27 K32 L33 C34 V50 F54 I65 F70 A73 L77M25-F30 HydrophobicContact CG-CB 4.2Å; M25-F30 VanDerWaalsContact SD-CA 3.52Å; M25-F30 HydrophobicContact SD-CB 3.87Å; M25-F30 HydrophobicContact SD-CD2 4.15Å; N26-F30 WeakPolarHBondContact O-CB 3.37Å; N26-F30 PolarHBondContact O-N 3.5Å; N27-F30 PolarHBondContact O-N 3.17Å; F30-K32 VanDerWaalsContact C-N 3.28Å; F30-K32 PolarHBondContact O-N 2.95Å; F30-L33 WeakPolarHBondContact O-CB 3.33Å; F30-L33 PolarHBondContact O-N 3Å; F30-L33 VanDerWaalsContact O-N 3.17Å; F30-C34 PolarHBondContact O-N 3.46Å; F30-C34 PolarHBondContact O-SG 2.87Å; F30-C34 VanDerWaalsContact O-SG 3.4Å; F30-V50 HydrophobicContact CD1-CG1 3.59Å; F30-V50 HydrophobicContact CE1-CG1 3.5Å; F30-V50 HydrophobicContact CZ-CG1 4.44Å; F30-F54 HydrophobicContact CB-CD2 3.9Å; F30-F54 HydrophobicContact CB-CE2 4.16Å; F30-F54 HydrophobicContact CD1-CB 3.85Å; F30-F54 AromaticContact CD1-CD2 3.58Å; F30-F54 HydrophobicContact CD1-CD2 3.58Å; F30-F54 HydrophobicContact CD1-CG 4.16Å; F30-F54 HydrophobicContact CE1-CB 4.01Å; F30-F54 HydrophobicContact CE1-CD2 4.31Å; F30-F54 AromaticContact CG-CD2 3.89Å; F30-F54 HydrophobicContact CG-CD2 3.89Å; F30-I65 HydrophobicContact CD2-CD1 4.05Å; F30-I65 HydrophobicContact CE2-CD1 4.37Å; F30-I65 HydrophobicContact CG-CD1 4.28Å; F30-F70 AromaticContact CD2-CD2 3.72Å; F30-F70 HydrophobicContact CD2-CD2 3.72Å; F30-F70 AromaticContact CD2-CE2 3.8Å; F30-F70 HydrophobicContact CD2-CE2 3.8Å; F30-F70 AromaticContact CE2-CD2 3.56Å; F30-F70 HydrophobicContact CE2-CD2 3.56Å; F30-F70 AromaticContact CE2-CE2 3.61Å; F30-F70 HydrophobicContact CE2-CE2 3.61Å; F30-A73 HydrophobicContact CE1-CB 4.48Å; F30-A73 HydrophobicContact CE2-CB 4.19Å; F30-A73 HydrophobicContact CZ-CB 3.69Å; F30-L77 HydrophobicContact CE1-CD1 4.16Å; F30-L77 HydrophobicContact CZ-CD1 3.68Å
31S93.9Very high89.7Confident20 Ų2040 Ų4014%0.1422%0.216CC..Hα-helixtrans-59.5-39.6174.6-70.70000112.3N27 C34 K35N27-S31 WeakPolarHBondContact O-CB 3.49Å; N27-S31 PolarHBondContact O-N 2.81Å; N27-S31 PolarHBondContact O-OG 3.02Å; N27-S31 VanDerWaalsContact O-OG 3.14Å; S31-C34 PolarHBondContact O-N 3.32Å; S31-K35 WeakPolarHBondContact O-CB 3.41Å; S31-K35 PolarHBondContact O-N 3.18Å
32K92.4Very high90.3Very high36 Ų3638.3 Ų38.316%0.15721%0.213CC..Hα-helixtrans-63.9-45.6174.1-174.4173.217345.10112.1F12 F15 K28 N29 F30 C34 K35 D36 A104F12-K32 HydrophobicContact CD1-CG 4.38Å; F12-K32 HydrophobicContact CE1-CG 4.12Å; F15-K32 HydrophobicContact CD1-CD 3.73Å; F15-K32 HydrophobicContact CE1-CD 3.53Å; F15-K32 HydrophobicContact CZ-CD 4.41Å; K28-K32 WeakPolarHBondContact O-CB 3.49Å; K28-K32 PolarHBondContact O-N 3.5Å; N29-K32 PolarHBondContact O-N 3.32Å; F30-K32 VanDerWaalsContact C-N 3.28Å; F30-K32 PolarHBondContact O-N 2.95Å; K32-C34 VanDerWaalsContact C-N 3.33Å; K32-C34 PolarHBondContact O-N 3.47Å; K32-K35 PolarHBondContact O-N 2.93Å; K32-D36 WeakPolarHBondContact CE-OD2 3.37Å; K32-D36 IonicContact NZ-OD1 3.83Å; K32-D36 PolarHBondContact NZ-OD1 3.33Å; K32-D36 IonicContact NZ-OD2 2.71Å; K32-D36 PolarHBondContact NZ-OD2 2.93Å; K32-D36 WeakPolarHBondContact O-CB 3.27Å; K32-D36 PolarHBondContact O-N 3.21Å; K32-A104 WeakPolarHBondContact CE-O 2.98Å; K32-A104 PolarHBondContact NZ-O 2.96Å
33L93.1Very high90.7Very high0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-57.4-48.6175.1-175.5161.4000110.4F12 M25 N29 F30 K35 D36 C37 I39 F70 M98F12-L33 HydrophobicContact CB-CB 4.23Å; F12-L33 HydrophobicContact CB-CD1 3.96Å; F12-L33 HydrophobicContact CB-CG 4.47Å; F12-L33 HydrophobicContact CD1-CB 3.61Å; F12-L33 HydrophobicContact CD1-CG 4.24Å; F12-L33 HydrophobicContact CD2-CD1 4.27Å; F12-L33 HydrophobicContact CD2-CG 4.28Å; F12-L33 VanDerWaalsContact CE1-CA 3.47Å; F12-L33 HydrophobicContact CE1-CB 4.05Å; F12-L33 HydrophobicContact CG-CB 3.87Å; F12-L33 HydrophobicContact CG-CD1 4.05Å; F12-L33 HydrophobicContact CG-CG 4.08Å; M25-L33 HydrophobicContact CE-CD1 3.68Å; M25-L33 HydrophobicContact SD-CD1 4.08Å; N29-L33 WeakPolarHBondContact O-CB 3.42Å; N29-L33 PolarHBondContact O-N 3.06Å; F30-L33 WeakPolarHBondContact O-CB 3.33Å; F30-L33 PolarHBondContact O-N 3Å; F30-L33 VanDerWaalsContact O-N 3.17Å; L33-K35 VanDerWaalsContact C-N 3.26Å; L33-K35 PolarHBondContact O-N 3.4Å; L33-D36 PolarHBondContact O-N 3.17Å; L33-C37 VanDerWaalsContact O-CB 3.24Å; L33-C37 WeakPolarHBondContact O-CB 3.34Å; L33-C37 PolarHBondContact O-N 3.5Å; L33-C37 PolarHBondContact O-SG 2.95Å; L33-I39 HydrophobicContact CD2-CD1 3.7Å; L33-F70 HydrophobicContact CD1-CE2 3.83Å; L33-F70 HydrophobicContact CD1-CZ 3.94Å; L33-F70 HydrophobicContact CD2-CE2 4.01Å; L33-F70 HydrophobicContact CD2-CZ 4.03Å; L33-M98 HydrophobicContact CD1-CE 3.96Å; L33-M98 HydrophobicContact CD2-CE 4.1Å; L33-M98 HydrophobicContact CD2-CG 4.46Å; L33-M98 HydrophobicContact CD2-SD 4.26Å; L33-M98 HydrophobicContact CG-CE 4.42Å
34C93.1Very high90.7Very high0 Ų045.4 Ų45.40%024%0.239CC..Hα-helixtrans-60.9-36179.2-69.40000112.6F30 S31 K32 G38 I39 M40 V50F30-C34 PolarHBondContact O-N 3.46Å; F30-C34 PolarHBondContact O-SG 2.87Å; F30-C34 VanDerWaalsContact O-SG 3.4Å; S31-C34 PolarHBondContact O-N 3.32Å; K32-C34 VanDerWaalsContact C-N 3.33Å; K32-C34 PolarHBondContact O-N 3.47Å; C34-G38 CarbonylContact O-C 3.55Å; C34-G38 PolarHBondContact O-N 3.19Å; C34-I39 HydrophobicContact CB-CB 4.15Å; C34-I39 HydrophobicContact CB-CG2 4.45Å; C34-I39 WeakPolarHBondContact O-CA 3.43Å; C34-I39 WeakPolarHBondContact O-CB 3.46Å; C34-I39 PolarHBondContact O-N 3.12Å; C34-M40 HydrophobicContact CB-CB 4.45Å; C34-M40 PolarHBondContact O-N 3.34Å; C34-V50 HydrophobicContact CB-CG1 4.26Å; C34-V50 HydrophobicContact CB-CG2 4.04Å
35K91.4Very high90.7Very high146 Ų14641.3 Ų41.364%0.63522%0.22SC*.Hα-helixtrans-74-48.8177.1-171.9177.9179.6179.60112.6S31 K32 L33 G38S31-K35 WeakPolarHBondContact O-CB 3.41Å; S31-K35 PolarHBondContact O-N 3.18Å; K32-K35 PolarHBondContact O-N 2.93Å; L33-K35 VanDerWaalsContact C-N 3.26Å; L33-K35 PolarHBondContact O-N 3.4Å; K35-G38 WeakPolarHBondContact O-CA 3.32Å; K35-G38 PolarHBondContact O-N 3.24Å
36D89.8Confident90.7Very high39 Ų3943.6 Ų43.621%0.20923%0.234CC..Hα-helixtrans-72.7-35.2-174-71.15.4000112.5F12 K32 L33 G38F12-D36 HydrophobicContact CE1-CB 3.97Å; F12-D36 HydrophobicContact CZ-CB 3.86Å; K32-D36 WeakPolarHBondContact CE-OD2 3.37Å; K32-D36 IonicContact NZ-OD1 3.83Å; K32-D36 PolarHBondContact NZ-OD1 3.33Å; K32-D36 IonicContact NZ-OD2 2.71Å; K32-D36 PolarHBondContact NZ-OD2 2.93Å; K32-D36 WeakPolarHBondContact O-CB 3.27Å; K32-D36 PolarHBondContact O-N 3.21Å; L33-D36 PolarHBondContact O-N 3.17Å; D36-G38 PolarHBondContact O-N 3Å
37C90.2Very high90.7Very high3 Ų344.9 Ų44.92%0.0225%0.245CC..THydrogen-bonded Turntrans-78.2-4.9171.6-550000111.6L33 I39 M98 K101L33-C37 VanDerWaalsContact O-CB 3.24Å; L33-C37 WeakPolarHBondContact O-CB 3.34Å; L33-C37 PolarHBondContact O-N 3.5Å; L33-C37 PolarHBondContact O-SG 2.95Å; C37-I39 HydrophobicContact CB-CD1 4.24Å; C37-I39 HydrophobicContact CB-CG1 4.08Å; C37-I39 PolarHBondContact O-N 3.45Å; C37-M98 HydrophobicContact CB-CG 4.1Å; C37-K101 HydrophobicContact CB-CG 4.38Å
38G87.9Confident90.7Very high26 Ų2647.1 Ų47.127%0.26826%0.261SS..THydrogen-bonded Turntrans64.324.4-178.400000113.2C34 K35 D36 M40 R81C34-G38 CarbonylContact O-C 3.55Å; C34-G38 PolarHBondContact O-N 3.19Å; K35-G38 WeakPolarHBondContact O-CA 3.32Å; K35-G38 PolarHBondContact O-N 3.24Å; D36-G38 PolarHBondContact O-N 3Å; G38-M40 VanDerWaalsContact C-N 3.29Å; G38-R81 PolarHBondContact O-NH1 3.44Å; G38-R81 PolarHBondContact O-NH2 2.84Å; G38-R81 VanDerWaalsContact O-NH2 3.08Å
39I89.1Confident90.8Very high0 Ų042.7 Ų42.70%024%0.243CC..  trans-60.6-42.9169.9-64171.8000109.5L33 C34 C37 L77 R81 I94 M98L33-I39 HydrophobicContact CD2-CD1 3.7Å; C34-I39 HydrophobicContact CB-CB 4.15Å; C34-I39 HydrophobicContact CB-CG2 4.45Å; C34-I39 WeakPolarHBondContact O-CA 3.43Å; C34-I39 WeakPolarHBondContact O-CB 3.46Å; C34-I39 PolarHBondContact O-N 3.12Å; C37-I39 HydrophobicContact CB-CD1 4.24Å; C37-I39 HydrophobicContact CB-CG1 4.08Å; C37-I39 PolarHBondContact O-N 3.45Å; I39-L77 HydrophobicContact CG2-CB 4.46Å; I39-R81 PolarHBondContact O-NH1 3.46Å; I39-R81 VanDerWaalsContact O-NH1 3.08Å; I39-I94 HydrophobicContact CD1-CG2 3.44Å; I39-I94 VanDerWaalsContact CD1-CG2 3.44Å; I39-I94 HydrophobicContact CG1-CG2 3.77Å; I39-I94 HydrophobicContact CG2-CD1 4.43Å; I39-M98 HydrophobicContact CD1-CG 4.37Å; I39-M98 HydrophobicContact CD1-SD 4.48Å
40M90.5Very high90.9Very high41 Ų4142.6 Ų42.620%0.20224%0.243CC..  trans-77.1114.7170-171.5-171.2-6100109.1C34 G38 V45 V50C34-M40 HydrophobicContact CB-CB 4.45Å; C34-M40 PolarHBondContact O-N 3.34Å; G38-M40 VanDerWaalsContact C-N 3.29Å; M40-V45 WeakPolarHBondContact CG-O 3.46Å; M40-V50 HydrophobicContact CE-CB 4.31Å; M40-V50 HydrophobicContact CE-CG2 3.79Å
41D85.5Confident90.9Very high58 Ų5845.3 Ų45.331%0.3126%0.257SS..  trans-98.1-7.2177.770.4-13.9000112.7K43 T44 V45D41-K43 PolarHBondContact O-N 2.87Å; D41-K43 PolarHBondContact OD1-N 3.33Å; D41-T44 VanDerWaalsContact CG-OG1 3.22Å; D41-T44 PolarHBondContact OD1-N 3.2Å; D41-T44 PolarHBondContact OD1-OG1 3.33Å; D41-T44 PolarHBondContact OD2-N 3.47Å; D41-T44 PolarHBondContact OD2-OG1 3.25Å; D41-V45 PolarHBondContact N-O 3.15Å; D41-V45 PolarHBondContact OD1-N 3.01Å
42G83.2Confident91Very high56 Ų5648.5 Ų48.558%0.57727%0.272SS*.SBendtrans71.34-177.300000114.4V45G42-V45 PolarHBondContact N-O 3.35Å; G42-V45 VanDerWaalsContact N-O 3.15Å
43K85.1Confident91.2Very high187 Ų18746.8 Ų46.881%0.81326%0.264SS*.SBendtrans-119.2-55.4-178.8-63.1-179-177.9-179.70111.4D41D41-K43 PolarHBondContact O-N 2.87Å; D41-K43 PolarHBondContact OD1-N 3.33Å
44T86.9Confident91.3Very high54 Ų5447 Ų4733%0.33127%0.265SS..SBendtrans-101.5-32.6-179.661.30000112.1D41D41-T44 VanDerWaalsContact CG-OG1 3.22Å; D41-T44 PolarHBondContact OD1-N 3.2Å; D41-T44 PolarHBondContact OD1-OG1 3.33Å; D41-T44 PolarHBondContact OD2-N 3.47Å; D41-T44 PolarHBondContact OD2-OG1 3.25Å
45V91.5Very high91.5Very high0 Ų050.3 Ų50.30%029%0.288CS..SBendtrans-122106.1175.91780000107.5M40 D41 G42 V50 L77 K80 R81M40-V45 WeakPolarHBondContact CG-O 3.46Å; D41-V45 PolarHBondContact N-O 3.15Å; D41-V45 PolarHBondContact OD1-N 3.01Å; G42-V45 PolarHBondContact N-O 3.35Å; G42-V45 VanDerWaalsContact N-O 3.15Å; V45-V50 HydrophobicContact CG1-CG2 3.92Å; V45-L77 HydrophobicContact CG1-CD2 3.82Å; V45-L77 WeakPolarHBondContact CG2-O 3.49Å; V45-K80 HydrophobicContact CG2-CB 4.22Å; V45-R81 HydrophobicContact CG2-CB 3.85Å
46T94.1Very high91.7Very high47 Ų4749.4 Ų49.429%0.28828%0.284SS..  trans-98.7171.2178.768.30000111.5T48 D49 V50T46-T48 PolarHBondContact O-N 2.92Å; T46-D49 WeakPolarHBondContact CB-OD2 3.32Å; T46-D49 PolarHBondContact N-OD2 2.85Å; T46-D49 WeakPolarHBondContact O-CB 3.49Å; T46-D49 PolarHBondContact O-N 2.6Å; T46-D49 VanDerWaalsContact O-N 3.17Å; T46-D49 PolarHBondContact OG1-N 2.94Å; T46-D49 PolarHBondContact OG1-OD2 3.4Å; T46-V50 WeakPolarHBondContact O-CG2 3.23Å; T46-V50 PolarHBondContact O-N 3.48Å; T46-V50 VanDerWaalsContact O-N 3.13Å
47S92.9Very high92Very high59 Ų5948.2 Ų48.241%0.41328%0.279SS..Hα-helixtrans-56.4-41.4172.8-166.10000111.7D49 V50 D51S47-D49 VanDerWaalsContact C-N 3.33Å; S47-D49 PolarHBondContact O-N 3.23Å; S47-V50 WeakPolarHBondContact O-CB 3.45Å; S47-V50 PolarHBondContact O-N 3.14Å; S47-V50 VanDerWaalsContact O-N 3.17Å; S47-D51 PolarHBondContact O-N 3.4Å; S47-D51 VanDerWaalsContact O-OD2 3.12Å
48T94.8Very high92.1Very high92 Ų9250.9 Ų50.956%0.56429%0.29SS*.Hα-helixtrans-62.2-40.2177.9-51.70000111.7T46 V50 D51 I52T46-T48 PolarHBondContact O-N 2.92Å; T48-V50 VanDerWaalsContact C-N 3.33Å; T48-V50 PolarHBondContact O-N 3.08Å; T48-D51 PolarHBondContact O-N 2.89Å; T48-I52 HydrophobicContact CG2-CD1 3.89Å; T48-I52 HydrophobicContact CG2-CG1 4.46Å; T48-I52 WeakPolarHBondContact O-CB 3.43Å; T48-I52 WeakPolarHBondContact O-CD1 3.45Å; T48-I52 WeakPolarHBondContact O-CG1 3.48Å; T48-I52 PolarHBondContact O-N 2.7Å
49D93.7Very high92.4Very high31 Ų3152 Ų5217%0.16630%0.297CS..Hα-helixtrans-61.8-42.7175-68.8-72.3000111.9T46 S47 I52 V53 L77 K80T46-D49 WeakPolarHBondContact CB-OD2 3.32Å; T46-D49 PolarHBondContact N-OD2 2.85Å; T46-D49 WeakPolarHBondContact O-CB 3.49Å; T46-D49 PolarHBondContact O-N 2.6Å; T46-D49 VanDerWaalsContact O-N 3.17Å; T46-D49 PolarHBondContact OG1-N 2.94Å; T46-D49 PolarHBondContact OG1-OD2 3.4Å; S47-D49 VanDerWaalsContact C-N 3.33Å; S47-D49 PolarHBondContact O-N 3.23Å; D49-I52 PolarHBondContact O-N 3.03Å; D49-V53 VanDerWaalsContact O-CG2 3.31Å; D49-V53 WeakPolarHBondContact O-CG2 3.14Å; D49-V53 PolarHBondContact O-N 3.3Å; D49-L77 HydrophobicContact CB-CD2 4.39Å; D49-K80 IonicContact OD1-NZ 2.67Å; D49-K80 PolarHBondContact OD1-NZ 3.32Å
50V95.5Very high92.5Very high0 Ų061.2 Ų61.20%034%0.336CS..Hα-helixtrans-62.2-46.7178.1175.10000110.8F30 C34 M40 V45 T46 S47 T48 I52 V53 F54 L77F30-V50 HydrophobicContact CD1-CG1 3.59Å; F30-V50 HydrophobicContact CE1-CG1 3.5Å; F30-V50 HydrophobicContact CZ-CG1 4.44Å; C34-V50 HydrophobicContact CB-CG1 4.26Å; C34-V50 HydrophobicContact CB-CG2 4.04Å; M40-V50 HydrophobicContact CE-CB 4.31Å; M40-V50 HydrophobicContact CE-CG2 3.79Å; V45-V50 HydrophobicContact CG1-CG2 3.92Å; T46-V50 WeakPolarHBondContact O-CG2 3.23Å; T46-V50 PolarHBondContact O-N 3.48Å; T46-V50 VanDerWaalsContact O-N 3.13Å; S47-V50 WeakPolarHBondContact O-CB 3.45Å; S47-V50 PolarHBondContact O-N 3.14Å; S47-V50 VanDerWaalsContact O-N 3.17Å; T48-V50 VanDerWaalsContact C-N 3.33Å; T48-V50 PolarHBondContact O-N 3.08Å; V50-I52 PolarHBondContact O-N 2.83Å; V50-V53 PolarHBondContact O-N 3Å; V50-F54 WeakPolarHBondContact O-CB 3.3Å; V50-F54 PolarHBondContact O-N 3.43Å; V50-L77 HydrophobicContact CG2-CD1 4.14Å; V50-L77 HydrophobicContact CG2-CD2 4.14Å
51D94.6Very high92.5Very high56 Ų5666.3 Ų66.330%0.29937%0.365SS..Hα-helixtrans-63.1-39.2177.7-71.3-47.4000112.6N27 S47 T48 S55N27-D51 PolarHBondContact ND2-OD1 3.17Å; N27-D51 PolarHBondContact OD1-OD1 3.36Å; S47-D51 PolarHBondContact O-N 3.4Å; S47-D51 VanDerWaalsContact O-OD2 3.12Å; T48-D51 PolarHBondContact O-N 2.89Å; D51-S55 WeakPolarHBondContact O-CB 3.18Å; D51-S55 PolarHBondContact O-N 3.3Å; D51-S55 PolarHBondContact O-OG 2.91Å
52I95.9Very high92.8Very high88 Ų8864.8 Ų64.845%0.45136%0.36SS..Hα-helixtrans-64.5-48.9175.9-72.3167000110.3T48 D49 V50 S55 K56T48-I52 HydrophobicContact CG2-CD1 3.89Å; T48-I52 HydrophobicContact CG2-CG1 4.46Å; T48-I52 WeakPolarHBondContact O-CB 3.43Å; T48-I52 WeakPolarHBondContact O-CD1 3.45Å; T48-I52 WeakPolarHBondContact O-CG1 3.48Å; T48-I52 PolarHBondContact O-N 2.7Å; D49-I52 PolarHBondContact O-N 3.03Å; V50-I52 PolarHBondContact O-N 2.83Å; I52-S55 PolarHBondContact O-N 3.14Å; I52-K56 PolarHBondContact O-N 2.67Å
53V96.1Very high93.1Very high0 Ų072.5 Ų72.50%037%0.372CS..Hα-helixtrans-64.9-43.8-179.11740000110.7D49 V50 S55 K56 V57 A73 E76 L77D49-V53 VanDerWaalsContact O-CG2 3.31Å; D49-V53 WeakPolarHBondContact O-CG2 3.14Å; D49-V53 PolarHBondContact O-N 3.3Å; V50-V53 PolarHBondContact O-N 3Å; V53-S55 VanDerWaalsContact C-N 3.28Å; V53-S55 PolarHBondContact O-N 3.36Å; V53-K56 WeakPolarHBondContact O-CB 3.49Å; V53-K56 PolarHBondContact O-N 2.92Å; V53-V57 HydrophobicContact CG1-CG1 4.35Å; V53-V57 WeakPolarHBondContact O-CG2 3.26Å; V53-V57 PolarHBondContact O-N 2.82Å; V53-A73 HydrophobicContact CG1-CB 3.73Å; V53-E76 HydrophobicContact CG1-CB 4.21Å; V53-E76 HydrophobicContact CG2-CB 4.45Å; V53-E76 HydrophobicContact CG2-CG 4.11Å; V53-L77 HydrophobicContact CB-CD2 4.05Å; V53-L77 HydrophobicContact CB-CG 4.18Å; V53-L77 HydrophobicContact CG1-CG 4.13Å; V53-L77 HydrophobicContact CG2-CD2 3.67Å; V53-L77 HydrophobicContact CG2-CG 4.08Å
54F96Very high93.5Very high4 Ų465.4 Ų65.42%0.01834%0.344CS..Hα-helixtrans-55-46.6174.3-177.9-87.7000111.4N27 F30 V50 K56 V57 K58 I65N27-F54 HydrophobicContact CB-CD1 3.7Å; N27-F54 HydrophobicContact CB-CD2 4.25Å; N27-F54 HydrophobicContact CB-CE1 3.59Å; N27-F54 HydrophobicContact CB-CE2 4.12Å; N27-F54 HydrophobicContact CB-CG 4.05Å; N27-F54 HydrophobicContact CB-CZ 3.81Å; N27-F54 VanDerWaalsContact N-CZ 3.31Å; N27-F54 WeakPolarHBondContact OD1-CG 3.5Å; F30-F54 HydrophobicContact CB-CD2 3.9Å; F30-F54 HydrophobicContact CB-CE2 4.16Å; F30-F54 HydrophobicContact CD1-CB 3.85Å; F30-F54 AromaticContact CD1-CD2 3.58Å; F30-F54 HydrophobicContact CD1-CD2 3.58Å; F30-F54 HydrophobicContact CD1-CG 4.16Å; F30-F54 HydrophobicContact CE1-CB 4.01Å; F30-F54 HydrophobicContact CE1-CD2 4.31Å; F30-F54 AromaticContact CG-CD2 3.89Å; F30-F54 HydrophobicContact CG-CD2 3.89Å; V50-F54 WeakPolarHBondContact O-CB 3.3Å; V50-F54 PolarHBondContact O-N 3.43Å; F54-K56 PolarHBondContact O-N 3.25Å; F54-V57 PolarHBondContact O-N 3.01Å; F54-K58 HydrophobicContact CD1-CD 3.78Å; F54-K58 HydrophobicContact CE1-CB 4.46Å; F54-K58 HydrophobicContact CE1-CD 3.53Å; F54-K58 WeakPolarHBondContact O-CB 3.42Å; F54-K58 WeakPolarHBondContact O-CG 3.43Å; F54-K58 PolarHBondContact O-N 3.2Å; F54-K58 VanDerWaalsContact O-N 3.1Å; F54-I65 HydrophobicContact CD2-CD1 3.84Å; F54-I65 HydrophobicContact CD2-CG1 4.27Å; F54-I65 HydrophobicContact CD2-CG2 3.99Å; F54-I65 HydrophobicContact CE2-CB 4.23Å; F54-I65 HydrophobicContact CE2-CD1 3.84Å; F54-I65 HydrophobicContact CE2-CG1 3.76Å; F54-I65 HydrophobicContact CE2-CG2 3.63Å; F54-I65 HydrophobicContact CZ-CG2 3.93Å
55S95.9Very high93.9Very high70 Ų7062.8 Ų62.849%0.4933%0.329SS..Hα-helixtrans-65.8-26.7179.5-62.60000113.4D51 I52 V53D51-S55 WeakPolarHBondContact O-CB 3.18Å; D51-S55 PolarHBondContact O-N 3.3Å; D51-S55 PolarHBondContact O-OG 2.91Å; I52-S55 PolarHBondContact O-N 3.14Å; V53-S55 VanDerWaalsContact C-N 3.28Å; V53-S55 PolarHBondContact O-N 3.36Å
56K95.7Very high94Very high126 Ų12665.2 Ų65.255%0.54834%0.343SS..Hα-helixtrans-78.4-43177.2-171.2-170.9-64.81770112.7I52 V53 F54 E76I52-K56 PolarHBondContact O-N 2.67Å; V53-K56 WeakPolarHBondContact O-CB 3.49Å; V53-K56 PolarHBondContact O-N 2.92Å; F54-K56 PolarHBondContact O-N 3.25Å; K56-E76 WeakPolarHBondContact CD-OE2 3.48Å; K56-E76 IonicContact NZ-OE1 2.64Å; K56-E76 PolarHBondContact NZ-OE1 2.84Å; K56-E76 IonicContact NZ-OE2 3.02Å; K56-E76 PolarHBondContact NZ-OE2 3.4Å
57V95.7Very high93.9Very high15 Ų1564.2 Ų64.29%0.09134%0.335CS..Hα-helixtrans-83.6-22.6-174.6-63.30000113.7V53 F54 I65 Q69 E72 A73V53-V57 HydrophobicContact CG1-CG1 4.35Å; V53-V57 WeakPolarHBondContact O-CG2 3.26Å; V53-V57 PolarHBondContact O-N 2.82Å; F54-V57 PolarHBondContact O-N 3.01Å; V57-I65 HydrophobicContact CG2-CG2 4.03Å; V57-Q69 HydrophobicContact CB-CB 4.35Å; V57-Q69 HydrophobicContact CG2-CB 4.48Å; V57-Q69 VanDerWaalsContact O-CD 3.26Å; V57-Q69 VanDerWaalsContact O-CG 3.27Å; V57-Q69 WeakPolarHBondContact O-CG 3.38Å; V57-Q69 PolarHBondContact O-NE2 3.42Å; V57-E72 HydrophobicContact CG1-CB 4.09Å; V57-A73 HydrophobicContact CB-CB 4.43Å; V57-A73 HydrophobicContact CG1-CB 4.08Å; V57-A73 HydrophobicContact CG2-CB 3.7Å
58K94.1Very high93.9Very high58 Ų5866.6 Ų66.625%0.25234%0.34SS..SBendtrans-70.8151.717875.2-171-173.9114.90111.3F54 A62 I65F54-K58 HydrophobicContact CD1-CD 3.78Å; F54-K58 HydrophobicContact CE1-CB 4.46Å; F54-K58 HydrophobicContact CE1-CD 3.53Å; F54-K58 WeakPolarHBondContact O-CB 3.42Å; F54-K58 WeakPolarHBondContact O-CG 3.43Å; F54-K58 PolarHBondContact O-N 3.2Å; F54-K58 VanDerWaalsContact O-N 3.1Å; K58-A62 PolarHBondContact NZ-O 3.31Å; K58-I65 HydrophobicContact CB-CG2 3.58Å
59A93.2Very high93.9Very high50 Ų5064.1 Ų64.141%0.41332%0.322SS..PPolyproline II helixtrans-65153.7173.200000111.5N61 A62A59-N61 PolarHBondContact O-N 3.43Å; A59-A62 HydrophobicContact CB-CB 3.97Å; A59-A62 VanDerWaalsContact O-CB 3.3Å; A59-A62 WeakPolarHBondContact O-CB 3.43Å; A59-A62 PolarHBondContact O-N 2.81Å
60K91.7Very high93.9Very high193 Ų19362.6 Ų62.684%0.83931%0.314SS*.THydrogen-bonded Turntrans-56.3129.6176.9-169.3175-178.5179.10109.6A62K60-A62 PolarHBondContact O-N 3.28Å
61N89.5Confident93.7Very high148 Ų14865.4 Ų65.479%0.79133%0.326SS*.THydrogen-bonded Turntrans66.9-1.8-175.2-50.6-38.3000116.5A59A59-N61 PolarHBondContact O-N 3.43Å
62A91.8Very high93.7Very high27 Ų2767.6 Ų67.622%0.22333%0.334CS..  trans-7215117400000111.6K58 A59 K60K58-A62 PolarHBondContact NZ-O 3.31Å; A59-A62 HydrophobicContact CB-CB 3.97Å; A59-A62 VanDerWaalsContact O-CB 3.3Å; A59-A62 WeakPolarHBondContact O-CB 3.43Å; A59-A62 PolarHBondContact O-N 2.81Å; K60-A62 PolarHBondContact O-N 3.28Å
63R91.2Very high93.6Very high217 Ų21763.4 Ų63.482%0.81931%0.313SS*.SBendtrans-105.8-6.5175.3-65.2-178.4175.2-177.5-1.7112.9
64T93.1Very high93.4Very high38 Ų3863.4 Ų63.423%0.23331%0.313CS..EExtended strand (participates in β ladder)trans-133.5160.5-173.649.60000110.2E24 M25 N26E24-T64 HydrophobicContact CB-CG2 4.31Å; E24-T64 WeakPolarHBondContact OE2-CB 3.38Å; E24-T64 PolarHBondContact OE2-OG1 3.05Å; M25-T64 CarbonylContact O-C 3.46Å; M25-T64 WeakPolarHBondContact O-CA 3.47Å; N26-T64 HydrophobicContact CB-CG2 4.12Å
65I94.9Very high93.2Very high0 Ų067.2 Ų67.20%033%0.329CS..EExtended strand (participates in β ladder)trans-119.7145171.760.9178.2000110E24 M25 F30 F54 V57 K58 Q69 F70E24-I65 WeakPolarHBondContact CA-O 3.28Å; M25-I65 HydrophobicContact CB-CG1 4.22Å; M25-I65 PolarHBondContact N-O 3.41Å; M25-I65 PolarHBondContact O-N 3.4Å; F30-I65 HydrophobicContact CD2-CD1 4.05Å; F30-I65 HydrophobicContact CE2-CD1 4.37Å; F30-I65 HydrophobicContact CG-CD1 4.28Å; F54-I65 HydrophobicContact CD2-CD1 3.84Å; F54-I65 HydrophobicContact CD2-CG1 4.27Å; F54-I65 HydrophobicContact CD2-CG2 3.99Å; F54-I65 HydrophobicContact CE2-CB 4.23Å; F54-I65 HydrophobicContact CE2-CD1 3.84Å; F54-I65 HydrophobicContact CE2-CG1 3.76Å; F54-I65 HydrophobicContact CE2-CG2 3.63Å; F54-I65 HydrophobicContact CZ-CG2 3.93Å; V57-I65 HydrophobicContact CG2-CG2 4.03Å; K58-I65 HydrophobicContact CB-CG2 3.58Å; I65-Q69 HydrophobicContact CB-CB 3.92Å; I65-Q69 HydrophobicContact CG2-CB 4.28Å; I65-F70 HydrophobicContact CD1-CB 4.01Å; I65-F70 HydrophobicContact CD1-CD2 4.3Å
66T94.2Very high93Very high51 Ų5166 Ų6631%0.31332%0.316SS..EExtended strand (participates in β ladder)trans-79168.4170.263.80000110.9Q68 Q69 F70T66-Q68 PolarHBondContact O-N 3.4Å; T66-Q69 PolarHBondContact O-N 3.33Å; T66-Q69 PolarHBondContact OG1-N 2.98Å; T66-Q69 PolarHBondContact OG1-OE1 2.84Å; T66-F70 WeakPolarHBondContact O-CB 3.46Å; T66-F70 PolarHBondContact O-N 3.24Å
67F91.5Very high92.9Very high25 Ų2560 Ų6011%0.1129%0.29CS..Hα-helixtrans-58-34.2174.7-176.6-127.5000112.7E6 F9 F70 K71E6-F67 HydrophobicContact CB-CD1 4.37Å; E6-F67 HydrophobicContact CB-CD2 4.49Å; E6-F67 HydrophobicContact CB-CE1 3.75Å; E6-F67 HydrophobicContact CB-CE2 3.94Å; E6-F67 HydrophobicContact CB-CZ 3.54Å; E6-F67 HydrophobicContact CG-CD1 3.93Å; E6-F67 HydrophobicContact CG-CD2 4.36Å; E6-F67 HydrophobicContact CG-CE1 3.8Å; E6-F67 HydrophobicContact CG-CE2 4.29Å; E6-F67 HydrophobicContact CG-CG 4.21Å; E6-F67 HydrophobicContact CG-CZ 4.02Å; F9-F67 HydrophobicContact CB-CD2 4.05Å; F9-F67 HydrophobicContact CB-CE2 4.29Å; F9-F67 HydrophobicContact CD1-CB 4.35Å; F9-F67 HydrophobicContact CD1-CD2 4.21Å; F9-F67 HydrophobicContact CD2-CD2 4.19Å; F9-F67 HydrophobicContact CE1-CB 4.25Å; F9-F67 AromaticContact CG-CD2 3.89Å; F9-F67 HydrophobicContact CG-CD2 3.89Å; F67-F70 AromaticContact CD2-CD1 3.86Å; F67-F70 HydrophobicContact CD2-CD1 3.86Å; F67-F70 AromaticContact CE2-CD1 3.94Å; F67-F70 HydrophobicContact CE2-CD1 3.94Å; F67-F70 HydrophobicContact CE2-CE1 4.31Å; F67-F70 WeakPolarHBondContact O-CB 3.47Å; F67-F70 PolarHBondContact O-N 2.85Å; F67-K71 HydrophobicContact CE1-CD 4.4Å; F67-K71 HydrophobicContact CE2-CG 4.48Å; F67-K71 HydrophobicContact CZ-CG 4.41Å; F67-K71 WeakPolarHBondContact O-CG 3.45Å; F67-K71 PolarHBondContact O-N 2.92Å
68Q92.6Very high92.6Very high110 Ų11059.3 Ų59.351%0.51429%0.286SS..Hα-helixtrans-65-46.5177.1-175.761.424.500111.7T66 F70 K71 E72T66-Q68 PolarHBondContact O-N 3.4Å; Q68-F70 VanDerWaalsContact C-N 3.29Å; Q68-F70 PolarHBondContact O-N 3.47Å; Q68-K71 WeakPolarHBondContact O-CB 3.47Å; Q68-K71 PolarHBondContact O-N 3.08Å; Q68-E72 PolarHBondContact O-N 2.71Å
69Q95Very high92.3Very high39 Ų3960.8 Ų60.818%0.18229%0.293CS..Hα-helixtrans-66.6-33.4175.8-70.6169.4-38.200111.8V57 I65 T66 E72 A73V57-Q69 HydrophobicContact CB-CB 4.35Å; V57-Q69 HydrophobicContact CG2-CB 4.48Å; V57-Q69 VanDerWaalsContact O-CD 3.26Å; V57-Q69 VanDerWaalsContact O-CG 3.27Å; V57-Q69 WeakPolarHBondContact O-CG 3.38Å; V57-Q69 PolarHBondContact O-NE2 3.42Å; I65-Q69 HydrophobicContact CB-CB 3.92Å; I65-Q69 HydrophobicContact CG2-CB 4.28Å; T66-Q69 PolarHBondContact O-N 3.33Å; T66-Q69 PolarHBondContact OG1-N 2.98Å; T66-Q69 PolarHBondContact OG1-OE1 2.84Å; Q69-E72 PolarHBondContact O-N 2.93Å; Q69-A73 WeakPolarHBondContact O-CB 3.24Å; Q69-A73 PolarHBondContact O-N 3.36Å
70F93.9Very high92.1Very high0 Ų061.7 Ų61.70%029%0.288CS..Hα-helixtrans-61.7-42.5172.5171.2-97000112.3F9 F30 L33 I65 T66 F67 Q68 E72 A73 V74 M98F9-F70 HydrophobicContact CD2-CB 3.87Å; F9-F70 AromaticContact CD2-CD1 3.79Å; F9-F70 HydrophobicContact CD2-CD1 3.79Å; F9-F70 AromaticContact CD2-CD2 3.76Å; F9-F70 HydrophobicContact CD2-CD2 3.76Å; F9-F70 HydrophobicContact CD2-CE1 4.27Å; F9-F70 HydrophobicContact CD2-CE2 4.24Å; F9-F70 AromaticContact CD2-CG 3.51Å; F9-F70 HydrophobicContact CD2-CG 3.51Å; F9-F70 HydrophobicContact CD2-CZ 4.48Å; F9-F70 HydrophobicContact CE2-CB 3.62Å; F9-F70 HydrophobicContact CE2-CD1 4.44Å; F9-F70 HydrophobicContact CE2-CD2 4.02Å; F9-F70 AromaticContact CE2-CG 3.78Å; F9-F70 HydrophobicContact CE2-CG 3.78Å; F30-F70 AromaticContact CD2-CD2 3.72Å; F30-F70 HydrophobicContact CD2-CD2 3.72Å; F30-F70 AromaticContact CD2-CE2 3.8Å; F30-F70 HydrophobicContact CD2-CE2 3.8Å; F30-F70 AromaticContact CE2-CD2 3.56Å; F30-F70 HydrophobicContact CE2-CD2 3.56Å; F30-F70 AromaticContact CE2-CE2 3.61Å; F30-F70 HydrophobicContact CE2-CE2 3.61Å; L33-F70 HydrophobicContact CD1-CE2 3.83Å; L33-F70 HydrophobicContact CD1-CZ 3.94Å; L33-F70 HydrophobicContact CD2-CE2 4.01Å; L33-F70 HydrophobicContact CD2-CZ 4.03Å; I65-F70 HydrophobicContact CD1-CB 4.01Å; I65-F70 HydrophobicContact CD1-CD2 4.3Å; T66-F70 WeakPolarHBondContact O-CB 3.46Å; T66-F70 PolarHBondContact O-N 3.24Å; F67-F70 AromaticContact CD2-CD1 3.86Å; F67-F70 HydrophobicContact CD2-CD1 3.86Å; F67-F70 AromaticContact CE2-CD1 3.94Å; F67-F70 HydrophobicContact CE2-CD1 3.94Å; F67-F70 HydrophobicContact CE2-CE1 4.31Å; F67-F70 WeakPolarHBondContact O-CB 3.47Å; F67-F70 PolarHBondContact O-N 2.85Å; Q68-F70 VanDerWaalsContact C-N 3.29Å; Q68-F70 PolarHBondContact O-N 3.47Å; F70-E72 VanDerWaalsContact C-N 3.3Å; F70-E72 PolarHBondContact O-N 3.25Å; F70-A73 WeakPolarHBondContact O-CB 3.39Å; F70-A73 PolarHBondContact O-N 3Å; F70-V74 HydrophobicContact CD1-CG2 4.19Å; F70-V74 HydrophobicContact CD2-CG2 4.11Å; F70-V74 HydrophobicContact CE1-CG2 3.72Å; F70-V74 HydrophobicContact CE2-CG2 3.63Å; F70-V74 HydrophobicContact CG-CG2 4.37Å; F70-V74 HydrophobicContact CZ-CG2 3.41Å; F70-V74 VanDerWaalsContact CZ-CG2 3.41Å; F70-V74 WeakPolarHBondContact O-CB 3.42Å; F70-V74 VanDerWaalsContact O-CG2 3.32Å; F70-V74 WeakPolarHBondContact O-CG2 3.44Å; F70-V74 PolarHBondContact O-N 3.4Å; F70-M98 HydrophobicContact CE1-CE 3.95Å; F70-M98 HydrophobicContact CE1-SD 4.18Å; F70-M98 HydrophobicContact CZ-CE 3.61Å; F70-M98 HydrophobicContact CZ-SD 3.8Å
71K92Very high91.8Very high59 Ų5955.3 Ų55.326%0.25726%0.259SS..Hα-helixtrans-59.2-42.5175.1-68.9179.4-172.7168.90112F67 Q68 V74 K75F67-K71 HydrophobicContact CE1-CD 4.4Å; F67-K71 HydrophobicContact CE2-CG 4.48Å; F67-K71 HydrophobicContact CZ-CG 4.41Å; F67-K71 WeakPolarHBondContact O-CG 3.45Å; F67-K71 PolarHBondContact O-N 2.92Å; Q68-K71 WeakPolarHBondContact O-CB 3.47Å; Q68-K71 PolarHBondContact O-N 3.08Å; K71-V74 PolarHBondContact O-N 2.98Å; K71-K75 WeakPolarHBondContact O-CB 3.39Å; K71-K75 PolarHBondContact O-N 3.35Å
72E93.7Very high91.6Very high102 Ų10250.5 Ų50.548%0.47723%0.231SC..Hα-helixtrans-64-42.2176.2-67.1177.2-175.700111.4V57 Q68 Q69 F70 V74 K75 E76V57-E72 HydrophobicContact CG1-CB 4.09Å; Q68-E72 PolarHBondContact O-N 2.71Å; Q69-E72 PolarHBondContact O-N 2.93Å; F70-E72 VanDerWaalsContact C-N 3.3Å; F70-E72 PolarHBondContact O-N 3.25Å; E72-V74 PolarHBondContact O-N 2.95Å; E72-K75 PolarHBondContact O-N 2.93Å; E72-E76 PolarHBondContact O-N 2.78Å
73A94.3Very high91.1Very high0 Ų057.3 Ų57.30%026%0.255CS..Hα-helixtrans-61.6-46.7177.300000111.8F30 V53 V57 Q69 F70 K75 E76 L77F30-A73 HydrophobicContact CE1-CB 4.48Å; F30-A73 HydrophobicContact CE2-CB 4.19Å; F30-A73 HydrophobicContact CZ-CB 3.69Å; V53-A73 HydrophobicContact CG1-CB 3.73Å; V57-A73 HydrophobicContact CB-CB 4.43Å; V57-A73 HydrophobicContact CG1-CB 4.08Å; V57-A73 HydrophobicContact CG2-CB 3.7Å; Q69-A73 WeakPolarHBondContact O-CB 3.24Å; Q69-A73 PolarHBondContact O-N 3.36Å; F70-A73 WeakPolarHBondContact O-CB 3.39Å; F70-A73 PolarHBondContact O-N 3Å; A73-K75 VanDerWaalsContact C-N 3.34Å; A73-K75 PolarHBondContact O-N 3.33Å; A73-E76 PolarHBondContact O-N 3.1Å; A73-L77 WeakPolarHBondContact O-CB 3.36Å; A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 3.35Å
74V91.8Very high90.6Very high0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-63.8-40.7178.2168.70000111.1F70 K71 E72 L77 G78 L91 I94F70-V74 HydrophobicContact CD1-CG2 4.19Å; F70-V74 HydrophobicContact CD2-CG2 4.11Å; F70-V74 HydrophobicContact CE1-CG2 3.72Å; F70-V74 HydrophobicContact CE2-CG2 3.63Å; F70-V74 HydrophobicContact CG-CG2 4.37Å; F70-V74 HydrophobicContact CZ-CG2 3.41Å; F70-V74 VanDerWaalsContact CZ-CG2 3.41Å; F70-V74 WeakPolarHBondContact O-CB 3.42Å; F70-V74 VanDerWaalsContact O-CG2 3.32Å; F70-V74 WeakPolarHBondContact O-CG2 3.44Å; F70-V74 PolarHBondContact O-N 3.4Å; K71-V74 PolarHBondContact O-N 2.98Å; E72-V74 PolarHBondContact O-N 2.95Å; V74-L77 PolarHBondContact O-N 3.39Å; V74-G78 WeakPolarHBondContact O-CA 3.33Å; V74-G78 PolarHBondContact O-N 2.94Å; V74-L91 HydrophobicContact CB-CD2 4.47Å; V74-L91 HydrophobicContact CG1-CD2 3.98Å; V74-I94 HydrophobicContact CG1-CB 3.65Å; V74-I94 HydrophobicContact CG1-CD1 3.49Å; V74-I94 VanDerWaalsContact CG1-CD1 3.49Å; V74-I94 HydrophobicContact CG1-CG1 4.14Å; V74-I94 HydrophobicContact CG1-CG2 3.38Å; V74-I94 VanDerWaalsContact O-CD1 3.26Å; V74-I94 WeakPolarHBondContact O-CD1 3.42Å
75K91.5Very high90.1Very high83 Ų8353.5 Ų53.536%0.36127%0.267SS..Hα-helixtrans-59.7-46.5174.9177.1167.3162.71610111.5K71 E72 A73 G78 Q79 P87 L91K71-K75 WeakPolarHBondContact O-CB 3.39Å; K71-K75 PolarHBondContact O-N 3.35Å; E72-K75 PolarHBondContact O-N 2.93Å; A73-K75 VanDerWaalsContact C-N 3.34Å; A73-K75 PolarHBondContact O-N 3.33Å; K75-G78 PolarHBondContact O-N 3.15Å; K75-Q79 VanDerWaalsContact O-CG 3.31Å; K75-Q79 WeakPolarHBondContact O-CG 3.34Å; K75-Q79 PolarHBondContact O-N 3Å; K75-P87 HydrophobicContact CD-CB 4.23Å; K75-P87 HydrophobicContact CG-CB 4.5Å; K75-L91 HydrophobicContact CB-CD2 4.06Å; K75-L91 HydrophobicContact CB-CG 4.45Å
76E92.5Very high89.7Confident46 Ų4655.7 Ų55.722%0.21528%0.282CS..Hα-helixtrans-66.6-46.7178.8-171.8177.4150.800112.3V53 K56 E72 A73 G78 Q79 K80V53-E76 HydrophobicContact CG1-CB 4.21Å; V53-E76 HydrophobicContact CG2-CB 4.45Å; V53-E76 HydrophobicContact CG2-CG 4.11Å; K56-E76 WeakPolarHBondContact CD-OE2 3.48Å; K56-E76 IonicContact NZ-OE1 2.64Å; K56-E76 PolarHBondContact NZ-OE1 2.84Å; K56-E76 IonicContact NZ-OE2 3.02Å; K56-E76 PolarHBondContact NZ-OE2 3.4Å; E72-E76 PolarHBondContact O-N 2.78Å; A73-E76 PolarHBondContact O-N 3.1Å; E76-G78 VanDerWaalsContact C-N 3.28Å; E76-G78 PolarHBondContact O-N 3.04Å; E76-Q79 PolarHBondContact O-N 3.13Å; E76-K80 PolarHBondContact O-N 2.99Å
77L92.1Very high89.2Confident0 Ų055.3 Ų55.30%028%0.28CS..Hα-helixtrans-61.9-40177.2-70.1173.1000111.5F30 I39 V45 D49 V50 V53 A73 V74 K80 R81F30-L77 HydrophobicContact CE1-CD1 4.16Å; F30-L77 HydrophobicContact CZ-CD1 3.68Å; I39-L77 HydrophobicContact CG2-CB 4.46Å; V45-L77 HydrophobicContact CG1-CD2 3.82Å; V45-L77 WeakPolarHBondContact CG2-O 3.49Å; D49-L77 HydrophobicContact CB-CD2 4.39Å; V50-L77 HydrophobicContact CG2-CD1 4.14Å; V50-L77 HydrophobicContact CG2-CD2 4.14Å; V53-L77 HydrophobicContact CB-CD2 4.05Å; V53-L77 HydrophobicContact CB-CG 4.18Å; V53-L77 HydrophobicContact CG1-CG 4.13Å; V53-L77 HydrophobicContact CG2-CD2 3.67Å; V53-L77 HydrophobicContact CG2-CG 4.08Å; A73-L77 WeakPolarHBondContact O-CB 3.36Å; A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 3.35Å; V74-L77 PolarHBondContact O-N 3.39Å; L77-K80 WeakPolarHBondContact O-CB 3.07Å; L77-K80 PolarHBondContact O-N 2.88Å; L77-R81 PolarHBondContact O-N 3.36Å
78G89Confident88.9Confident0 Ų059.5 Ų59.50%030%0.304CS..Hα-helixtrans-69.8-34.1179.900000113.7V74 K75 E76 K80 R81 F82V74-G78 WeakPolarHBondContact O-CA 3.33Å; V74-G78 PolarHBondContact O-N 2.94Å; K75-G78 PolarHBondContact O-N 3.15Å; E76-G78 VanDerWaalsContact C-N 3.28Å; E76-G78 PolarHBondContact O-N 3.04Å; G78-K80 VanDerWaalsContact C-N 3.3Å; G78-K80 PolarHBondContact O-N 3.22Å; G78-R81 PolarHBondContact O-N 3.31Å; G78-F82 PolarHBondContact O-N 3.38Å
79Q89.3Confident88.7Confident89 Ų8959.4 Ų59.442%0.41630%0.303SS..Hα-helixtrans-66.4-33.5172.7-75.8179.5-50.200111.9K75 E76 V90K75-Q79 VanDerWaalsContact O-CG 3.31Å; K75-Q79 WeakPolarHBondContact O-CG 3.34Å; K75-Q79 PolarHBondContact O-N 3Å; E76-Q79 PolarHBondContact O-N 3.13Å; Q79-V90 HydrophobicContact CG-CG2 4.39Å
80K87.8Confident88.4Confident68 Ų6857.5 Ų57.530%0.29630%0.295SS..Hα-helixtrans-66.7-40.6172-74-176.6171.1-175.50112.1V45 D49 E76 L77 G78V45-K80 HydrophobicContact CG2-CB 4.22Å; D49-K80 IonicContact OD1-NZ 2.67Å; D49-K80 PolarHBondContact OD1-NZ 3.32Å; E76-K80 PolarHBondContact O-N 2.99Å; L77-K80 WeakPolarHBondContact O-CB 3.07Å; L77-K80 PolarHBondContact O-N 2.88Å; G78-K80 VanDerWaalsContact C-N 3.3Å; G78-K80 PolarHBondContact O-N 3.22Å
81R85.6Confident88Confident60 Ų6058.9 Ų58.923%0.22630%0.302CS..Hα-helixtrans-76.4-52.3-178.2-176.1175.9178.9174.83.4113.6G38 I39 V45 L77 G78 K83 L97G38-R81 PolarHBondContact O-NH1 3.44Å; G38-R81 PolarHBondContact O-NH2 2.84Å; G38-R81 VanDerWaalsContact O-NH2 3.08Å; I39-R81 PolarHBondContact O-NH1 3.46Å; I39-R81 VanDerWaalsContact O-NH1 3.08Å; V45-R81 HydrophobicContact CG2-CB 3.85Å; L77-R81 PolarHBondContact O-N 3.36Å; G78-R81 PolarHBondContact O-N 3.31Å; R81-K83 PolarHBondContact O-N 3.32Å; R81-L97 VanDerWaalsContact NH1-CD1 3.28Å
82F85.5Confident87.8Confident46 Ų4660.1 Ų60.120%0.20231%0.309CS..SBendtrans-101.970.2-176.5-56.5-71.9000109.5G78 G84 K85 V90 I94 L97G78-F82 PolarHBondContact O-N 3.38Å; F82-G84 PolarHBondContact O-N 3Å; F82-K85 HydrophobicContact CB-CB 4.33Å; F82-K85 HydrophobicContact CB-CD 3.88Å; F82-K85 HydrophobicContact CB-CG 4.09Å; F82-K85 HydrophobicContact CG-CD 4.37Å; F82-K85 PolarHBondContact O-N 3.3Å; F82-V90 HydrophobicContact CB-CG2 4.27Å; F82-I94 HydrophobicContact CE2-CG1 4.07Å; F82-L97 HydrophobicContact CZ-CD1 4.29Å
83K80.8Confident87.5Confident170 Ų17056.7 Ų56.774%0.73930%0.296SS*.THydrogen-bonded Turntrans-57.6133177.7-62.2-177.9-178.5179.20110.2R81R81-K83 PolarHBondContact O-N 3.32Å
84G81Confident87.3Confident89 Ų8956.7 Ų56.792%0.91830%0.296SS*.THydrogen-bonded Turntrans87.9-6176.600000115.8F82F82-G84 PolarHBondContact O-N 3Å
85K83.5Confident87.1Confident87 Ų8757.6 Ų57.638%0.37830%0.299SS..SBendtrans-82.7152.2171.7-67.5-162.1-173.4-173.10111.6F82 E89 V90 S93F82-K85 HydrophobicContact CB-CB 4.33Å; F82-K85 HydrophobicContact CB-CD 3.88Å; F82-K85 HydrophobicContact CB-CG 4.09Å; F82-K85 HydrophobicContact CG-CD 4.37Å; F82-K85 PolarHBondContact O-N 3.3Å; K85-E89 HydrophobicContact CB-CB 4.16Å; K85-E89 HydrophobicContact CD-CB 4.29Å; K85-V90 HydrophobicContact CB-CG2 3.75Å; K85-S93 PolarHBondContact NZ-OG 3.02Å
86S87Confident86.9Confident46 Ų4655.7 Ų55.732%0.32230%0.303SS..  trans-66.1153.7172.674.80000110.7D88 E89 V90S86-D88 PolarHBondContact O-N 3.06Å; S86-D88 VanDerWaalsContact O-N 3.12Å; S86-E89 PolarHBondContact N-OE2 3.44Å; S86-E89 PolarHBondContact O-N 2.73Å; S86-E89 WeakPolarHBondContact OG-CB 3.47Å; S86-E89 VanDerWaalsContact OG-CG 3.23Å; S86-E89 WeakPolarHBondContact OG-CG 3.36Å; S86-E89 PolarHBondContact OG-N 3.25Å; S86-V90 VanDerWaalsContact O-CG2 3.27Å; S86-V90 WeakPolarHBondContact O-CG2 3.48Å; S86-V90 PolarHBondContact O-N 3.39Å
87P82.2Confident86.6Confident43 Ų4356 Ų5628%0.27931%0.306SS..Hα-helixtrans-53.9-32.6178.1-27.835.6000114.5K75 L91K75-P87 HydrophobicContact CD-CB 4.23Å; K75-P87 HydrophobicContact CG-CB 4.5Å; P87-L91 WeakPolarHBondContact O-CG 3.41Å; P87-L91 PolarHBondContact O-N 3.44Å
88D86.6Confident86.3Confident112 Ų11256.1 Ų56.160%0.59931%0.306SS*.Hα-helixtrans-77.4-42.1-179.4-58.7-41.2000111.2S86 V90 L91 E92S86-D88 PolarHBondContact O-N 3.06Å; S86-D88 VanDerWaalsContact O-N 3.12Å; D88-V90 PolarHBondContact O-N 2.67Å; D88-L91 PolarHBondContact O-N 3.31Å; D88-E92 WeakPolarHBondContact O-CG 3.39Å; D88-E92 PolarHBondContact O-N 3.14Å
89E88Confident86.1Confident108 Ų10862.2 Ų62.251%0.50534%0.335SS..Hα-helixtrans-61.7-33.9172.3-74.2172.4-177.100112.6K85 S86 S93K85-E89 HydrophobicContact CB-CB 4.16Å; K85-E89 HydrophobicContact CD-CB 4.29Å; S86-E89 PolarHBondContact N-OE2 3.44Å; S86-E89 PolarHBondContact O-N 2.73Å; S86-E89 WeakPolarHBondContact OG-CB 3.47Å; S86-E89 VanDerWaalsContact OG-CG 3.23Å; S86-E89 WeakPolarHBondContact OG-CG 3.36Å; S86-E89 PolarHBondContact OG-N 3.25Å; E89-S93 VanDerWaalsContact O-CB 3.3Å; E89-S93 WeakPolarHBondContact O-CB 3.33Å; E89-S93 PolarHBondContact O-N 3.5Å; E89-S93 PolarHBondContact O-OG 3.27Å
90V88.1Confident85.6Confident0 Ų061.3 Ų61.30%035%0.35CS..Hα-helixtrans-64.2-47.8174.8166.80000110.9Q79 F82 K85 S86 D88 S93 I94Q79-V90 HydrophobicContact CG-CG2 4.39Å; F82-V90 HydrophobicContact CB-CG2 4.27Å; K85-V90 HydrophobicContact CB-CG2 3.75Å; S86-V90 VanDerWaalsContact O-CG2 3.27Å; S86-V90 WeakPolarHBondContact O-CG2 3.48Å; S86-V90 PolarHBondContact O-N 3.39Å; D88-V90 PolarHBondContact O-N 2.67Å; V90-S93 WeakPolarHBondContact O-CB 3.27Å; V90-S93 PolarHBondContact O-N 3.14Å; V90-I94 HydrophobicContact CG1-CD1 4.41Å; V90-I94 PolarHBondContact O-N 3.28Å
91L86.5Confident85.5Confident28 Ų2862.2 Ų62.215%0.14735%0.354CS..Hα-helixtrans-61.5-46.8178.3-77.2174.8000111.1V74 K75 P87 D88 S93 I94 Y95V74-L91 HydrophobicContact CB-CD2 4.47Å; V74-L91 HydrophobicContact CG1-CD2 3.98Å; K75-L91 HydrophobicContact CB-CD2 4.06Å; K75-L91 HydrophobicContact CB-CG 4.45Å; P87-L91 WeakPolarHBondContact O-CG 3.41Å; P87-L91 PolarHBondContact O-N 3.44Å; D88-L91 PolarHBondContact O-N 3.31Å; L91-S93 VanDerWaalsContact C-N 3.32Å; L91-S93 PolarHBondContact O-N 3.23Å; L91-I94 PolarHBondContact O-N 3.44Å; L91-I94 VanDerWaalsContact O-N 3.14Å; L91-Y95 HydrophobicContact CB-CE2 4.28Å; L91-Y95 WeakPolarHBondContact O-CD2 3.21Å; L91-Y95 VanDerWaalsContact O-CG 3.26Å; L91-Y95 PolarHBondContact O-N 3.21Å
92E87.6Confident85.4Confident86 Ų8663.4 Ų63.440%0.40236%0.364SS..Hα-helixtrans-60.9-41.4176.1-71.8-61.6133.300111.9M1 D88 I94 Y95 G96M1-E92 WeakPolarHBondContact CE-OE2 3.48Å; M1-E92 VanDerWaalsContact CG-OE2 3.28Å; M1-E92 WeakPolarHBondContact CG-OE2 3.3Å; D88-E92 WeakPolarHBondContact O-CG 3.39Å; D88-E92 PolarHBondContact O-N 3.14Å; E92-I94 VanDerWaalsContact C-N 3.29Å; E92-I94 PolarHBondContact O-N 3.32Å; E92-Y95 PolarHBondContact O-N 3.18Å; E92-G96 PolarHBondContact O-N 3.25Å
93S87.8Confident85.4Confident30 Ų3062.5 Ų62.521%0.2136%0.363CS..Hα-helixtrans-60.8-38.5175.3-60.90000111.8K85 E89 V90 L91 L97K85-S93 PolarHBondContact NZ-OG 3.02Å; E89-S93 VanDerWaalsContact O-CB 3.3Å; E89-S93 WeakPolarHBondContact O-CB 3.33Å; E89-S93 PolarHBondContact O-N 3.5Å; E89-S93 PolarHBondContact O-OG 3.27Å; V90-S93 WeakPolarHBondContact O-CB 3.27Å; V90-S93 PolarHBondContact O-N 3.14Å; L91-S93 VanDerWaalsContact C-N 3.32Å; L91-S93 PolarHBondContact O-N 3.23Å; S93-L97 WeakPolarHBondContact O-CG 3.46Å; S93-L97 PolarHBondContact O-N 3.14Å
94I88.1Confident85.3Confident0 Ų057 Ų570%035%0.35CS..Hα-helixtrans-77.1-39.6178.2-66.8177.7000111.8I39 V74 F82 V90 L91 E92 G96 L97 M98I39-I94 HydrophobicContact CD1-CG2 3.44Å; I39-I94 VanDerWaalsContact CD1-CG2 3.44Å; I39-I94 HydrophobicContact CG1-CG2 3.77Å; I39-I94 HydrophobicContact CG2-CD1 4.43Å; V74-I94 HydrophobicContact CG1-CB 3.65Å; V74-I94 HydrophobicContact CG1-CD1 3.49Å; V74-I94 VanDerWaalsContact CG1-CD1 3.49Å; V74-I94 HydrophobicContact CG1-CG1 4.14Å; V74-I94 HydrophobicContact CG1-CG2 3.38Å; V74-I94 VanDerWaalsContact O-CD1 3.26Å; V74-I94 WeakPolarHBondContact O-CD1 3.42Å; F82-I94 HydrophobicContact CE2-CG1 4.07Å; V90-I94 HydrophobicContact CG1-CD1 4.41Å; V90-I94 PolarHBondContact O-N 3.28Å; L91-I94 PolarHBondContact O-N 3.44Å; L91-I94 VanDerWaalsContact O-N 3.14Å; E92-I94 VanDerWaalsContact C-N 3.29Å; E92-I94 PolarHBondContact O-N 3.32Å; I94-G96 VanDerWaalsContact C-N 3.28Å; I94-G96 PolarHBondContact O-N 3.13Å; I94-L97 WeakPolarHBondContact O-CA 3.33Å; I94-L97 WeakPolarHBondContact O-CB 3.34Å; I94-L97 PolarHBondContact O-N 3.27Å; I94-M98 HydrophobicContact CG2-CG 4.29Å; I94-M98 HydrophobicContact CG2-SD 4.08Å; I94-M98 WeakPolarHBondContact O-CG 3.36Å; I94-M98 PolarHBondContact O-N 3.02Å
95Y88.9Confident85Confident19 Ų1957.3 Ų57.38%0.07533%0.334CS..Hα-helixtrans-61.7-38.1175.9-65.8-20.9000111.9A5 L91 E92 L97 M98 E99A5-Y95 HydrophobicContact CB-CD1 3.29Å; A5-Y95 HydrophobicContact CB-CD2 4.44Å; A5-Y95 HydrophobicContact CB-CE1 3.45Å; A5-Y95 VanDerWaalsContact CB-CE1 3.45Å; A5-Y95 HydrophobicContact CB-CG 3.83Å; L91-Y95 HydrophobicContact CB-CE2 4.28Å; L91-Y95 WeakPolarHBondContact O-CD2 3.21Å; L91-Y95 VanDerWaalsContact O-CG 3.26Å; L91-Y95 PolarHBondContact O-N 3.21Å; E92-Y95 PolarHBondContact O-N 3.18Å; Y95-L97 VanDerWaalsContact C-N 3.27Å; Y95-L97 PolarHBondContact O-N 3.3Å; Y95-M98 HydrophobicContact CD1-SD 4.23Å; Y95-M98 PolarHBondContact O-N 2.98Å; Y95-M98 VanDerWaalsContact O-N 3.1Å; Y95-E99 PolarHBondContact O-N 3.5Å; Y95-E99 VanDerWaalsContact O-N 3.13Å
96G87.2Confident84.2Confident42 Ų4259 Ų5943%0.43335%0.352SS..Hα-helixtrans-62.1-31.5171.300000113.6E92 I94 M98E92-G96 PolarHBondContact O-N 3.25Å; I94-G96 VanDerWaalsContact C-N 3.28Å; I94-G96 PolarHBondContact O-N 3.13Å; G96-M98 VanDerWaalsContact C-N 3.35Å
97L86.7Confident83.1Confident54 Ų5460.4 Ų60.428%0.28337%0.373SS..Hα-helixtrans-74.5-25.9173.9-70.1175.5000113.3R81 F82 S93 I94 Y95 K101R81-L97 VanDerWaalsContact NH1-CD1 3.28Å; F82-L97 HydrophobicContact CZ-CD1 4.29Å; S93-L97 WeakPolarHBondContact O-CG 3.46Å; S93-L97 PolarHBondContact O-N 3.14Å; I94-L97 WeakPolarHBondContact O-CA 3.33Å; I94-L97 WeakPolarHBondContact O-CB 3.34Å; I94-L97 PolarHBondContact O-N 3.27Å; Y95-L97 VanDerWaalsContact C-N 3.27Å; Y95-L97 PolarHBondContact O-N 3.3Å; L97-K101 VanDerWaalsContact O-CG 3.27Å; L97-K101 WeakPolarHBondContact O-CG 3.37Å
98M85.8Confident82.1Confident1 Ų161.6 Ų61.61%0.00539%0.386CS..Hα-helixtrans-84.1-14.8178.5-68.6179.162.400113.1A5 T8 L33 C37 I39 F70 I94 Y95 G96 G100 K101A5-M98 HydrophobicContact CB-CE 4.36Å; T8-M98 HydrophobicContact CG2-CB 4.24Å; T8-M98 HydrophobicContact CG2-CE 3.75Å; T8-M98 PolarHBondContact OG1-O 2.9Å; L33-M98 HydrophobicContact CD1-CE 3.96Å; L33-M98 HydrophobicContact CD2-CE 4.1Å; L33-M98 HydrophobicContact CD2-CG 4.46Å; L33-M98 HydrophobicContact CD2-SD 4.26Å; L33-M98 HydrophobicContact CG-CE 4.42Å; C37-M98 HydrophobicContact CB-CG 4.1Å; I39-M98 HydrophobicContact CD1-CG 4.37Å; I39-M98 HydrophobicContact CD1-SD 4.48Å; F70-M98 HydrophobicContact CE1-CE 3.95Å; F70-M98 HydrophobicContact CE1-SD 4.18Å; F70-M98 HydrophobicContact CZ-CE 3.61Å; F70-M98 HydrophobicContact CZ-SD 3.8Å; I94-M98 HydrophobicContact CG2-CG 4.29Å; I94-M98 HydrophobicContact CG2-SD 4.08Å; I94-M98 WeakPolarHBondContact O-CG 3.36Å; I94-M98 PolarHBondContact O-N 3.02Å; Y95-M98 HydrophobicContact CD1-SD 4.23Å; Y95-M98 PolarHBondContact O-N 2.98Å; Y95-M98 VanDerWaalsContact O-N 3.1Å; G96-M98 VanDerWaalsContact C-N 3.35Å; M98-G100 PolarHBondContact O-N 3.13Å; M98-K101 PolarHBondContact O-N 3.11Å
99E83.2Confident81.2Confident129 Ų12962.7 Ų62.760%0.60340%0.397SS*.THydrogen-bonded Turntrans-65.6132.6-179-168.8173.7-169.800111.3Y95 K101Y95-E99 PolarHBondContact O-N 3.5Å; Y95-E99 VanDerWaalsContact O-N 3.13Å; E99-K101 PolarHBondContact O-N 2.71Å; E99-K101 VanDerWaalsContact O-N 3.13Å
100G80.2Confident80.3Confident70 Ų7067 Ų6772%0.72241%0.414SS*.THydrogen-bonded Turntrans65.910.8-179.200000114.9M98M98-G100 PolarHBondContact O-N 3.13Å
101K84.2Confident79.5Confident87 Ų8771.3 Ų71.338%0.37845%0.45SS..  trans-90.6128.9176.5-61.8-64.2-177.1-178.30110.7C37 L97 M98 E99C37-K101 HydrophobicContact CB-CG 4.38Å; L97-K101 VanDerWaalsContact O-CG 3.27Å; L97-K101 WeakPolarHBondContact O-CG 3.37Å; M98-K101 PolarHBondContact O-N 3.11Å; E99-K101 PolarHBondContact O-N 2.71Å; E99-K101 VanDerWaalsContact O-N 3.13Å
102D85.3Confident78.8Confident84 Ų8474.1 Ų74.145%0.44947%0.468SS..  trans-121.2147.9173-80.3-68.7000109.8R11 A104R11-D102 WeakPolarHBondContact CD-OD1 3.45Å; R11-D102 IonicContact CZ-OD1 2.73Å; R11-D102 IonicContact NE-OD1 3.52Å; R11-D102 VanDerWaalsContact NH1-CG 3.25Å; R11-D102 IonicContact NH1-OD1 3.04Å; R11-D102 PolarHBondContact NH1-OD1 3.4Å; R11-D102 IonicContact NH1-OD2 2.69Å; R11-D102 PolarHBondContact NH1-OD2 3.15Å; D102-A104 PolarHBondContact O-N 2.73Å
103P85.5Confident78Confident27 Ų2774.9 Ų74.918%0.17548%0.479CS..  trans-66.8106-17928.3-34.9000109.9F12 F15F12-P103 HydrophobicContact CD1-CB 3.83Å; F12-P103 HydrophobicContact CD2-CB 4.32Å; F12-P103 HydrophobicContact CD2-CG 4.46Å; F12-P103 HydrophobicContact CE1-CB 3.73Å; F12-P103 HydrophobicContact CE2-CB 4.25Å; F12-P103 HydrophobicContact CG-CB 4.13Å; F12-P103 HydrophobicContact CZ-CB 3.96Å; F15-P103 HydrophobicContact CB-CB 3.79Å; F15-P103 HydrophobicContact CB-CG 3.83Å; F15-P103 HydrophobicContact CD1-CB 4.12Å; F15-P103 HydrophobicContact CD2-CB 3.41Å; F15-P103 VanDerWaalsContact CD2-CB 3.41Å; F15-P103 HydrophobicContact CD2-CG 3.56Å; F15-P103 HydrophobicContact CE2-CB 3.93Å; F15-P103 HydrophobicContact CE2-CG 4.33Å; F15-P103 WeakPolarHBondContact CE2-O 3.37Å; F15-P103 HydrophobicContact CG-CB 3.49Å; F15-P103 VanDerWaalsContact CG-CB 3.49Å; F15-P103 HydrophobicContact CG-CG 3.87Å; F15-P103 HydrophobicContact CZ-CB 4.48Å
104A78.3Confident77.6Confident56 Ų5678.9 Ų78.946%0.46350%0.502SS..  trans-90.4134.8-177.900000111.1K32 D102 T106K32-A104 WeakPolarHBondContact CE-O 2.98Å; K32-A104 PolarHBondContact NZ-O 2.96Å; D102-A104 PolarHBondContact O-N 2.73Å; A104-T106 PolarHBondContact O-N 2.73Å; A104-T106 VanDerWaalsContact O-N 3.15Å
105T73.5Confident77.1Confident95 Ų9582.3 Ų82.358%0.58354%0.537SS*.  trans-76.498.8169.442.90000109.3F15 G107F15-T105 HydrophobicContact CE2-CG2 3.99Å; F15-T105 HydrophobicContact CZ-CG2 3.69Å; T105-G107 PolarHBondContact O-N 3.04Å
106T66.9Low76.8Confident123 Ų12383.1 Ų83.176%0.75555%0.548SS*.THydrogen-bonded Turntrans-66.3128.3170.7450000109.5A104A104-T106 PolarHBondContact O-N 2.73Å; A104-T106 VanDerWaalsContact O-N 3.15Å
107G63.6Low76.6Confident75 Ų7583.2 Ų83.277%0.77354%0.54SS*.THydrogen-bonded Turntrans879.9176.200000115.1T105 T109T105-G107 PolarHBondContact O-N 3.04Å; G107-T109 PolarHBondContact O-N 2.87Å
108A61.8Low76.5Confident67 Ų6786.1 Ų86.155%0.55456%0.556SS**  trans-60.6102.9165.200000108.3K110A108-K110 PolarHBondContact O-N 3.1Å; A108-K110 VanDerWaalsContact O-N 3.1Å
109T68.7Low76.5Confident135 Ų13594.1 Ų94.183%0.82859%0.586SS**  trans-61.2115.3174.646.70000107.3G107 A111G107-T109 PolarHBondContact O-N 2.87Å; T109-A111 PolarHBondContact O-N 3.07Å
110K68.4Low76.6Confident199 Ų19993.5 Ų93.587%0.86559%0.586SS**PPolyproline II helixtrans-58130.2169.8-67.1-171.6177.9-169.30107.3A108 T112A108-K110 PolarHBondContact O-N 3.1Å; A108-K110 VanDerWaalsContact O-N 3.1Å; K110-T112 PolarHBondContact O-N 3.28Å
111A70.5Confident76.8Confident90 Ų9094.3 Ų94.374%0.74458%0.577SS**PPolyproline II helixtrans-55.2119.6171.400000107.8T109 T113T109-A111 PolarHBondContact O-N 3.07Å; A111-T113 PolarHBondContact O-N 3.37Å
112T72Confident76.9Confident88 Ų8892.3 Ų92.354%0.5457%0.571SS.*PPolyproline II helixtrans-73.2121173.5178.30000108K110 V114 V117K110-T112 PolarHBondContact O-N 3.28Å; T112-V114 VanDerWaalsContact OG1-CG2 3.28Å; T112-V114 WeakPolarHBondContact OG1-CG2 3.35Å; T112-V117 HydrophobicContact CG2-CG2 4.32Å
113T71.4Confident77.1Confident102 Ų10289.8 Ų89.863%0.62656%0.558SS**  trans-99.7-7170.754.30000111.8A111A111-T113 PolarHBondContact O-N 3.37Å
114V78.9Confident77.3Confident114 Ų11492.9 Ų92.969%0.69158%0.581SS**SBendtrans-83.6147.1-176.8-84.40000112.5T112T112-V114 VanDerWaalsContact OG1-CG2 3.28Å; T112-V114 WeakPolarHBondContact OG1-CG2 3.35Å
115G78.5Confident77.8Confident71 Ų7196.2 Ų96.273%0.73259%0.585SS**SBendtrans91.2-13717400000112.9V117G115-V117 PolarHBondContact O-N 2.95Å
116A81.9Confident78.5Confident37 Ų3795.6 Ų95.631%0.30657%0.572SS.*SBendtrans-80.85.6-175.300000114.1D118 R119 L120A116-D118 PolarHBondContact O-N 2.93Å; A116-R119 WeakPolarHBondContact O-CB 3.43Å; A116-R119 PolarHBondContact O-N 3.49Å; A116-R119 VanDerWaalsContact O-N 3.1Å; A116-L120 HydrophobicContact CB-CD1 4.14Å; A116-L120 HydrophobicContact CB-CG 4.38Å; A116-L120 WeakPolarHBondContact O-CB 3.28Å; A116-L120 VanDerWaalsContact O-CG 3.25Å; A116-L120 WeakPolarHBondContact O-CG 3.4Å; A116-L120 PolarHBondContact O-N 3.16Å
117V83.8Confident79.7Confident43 Ų4395.1 Ų95.126%0.26157%0.569SS.*Hα-helixtrans-58.6-49.7-173.6179.70000110.7T112 G115 R119 L120 T121T112-V117 HydrophobicContact CG2-CG2 4.32Å; G115-V117 PolarHBondContact O-N 2.95Å; V117-R119 PolarHBondContact O-N 3.44Å; V117-L120 PolarHBondContact O-N 2.89Å; V117-T121 HydrophobicContact CG1-CG2 4.23Å; V117-T121 PolarHBondContact O-N 3.1Å; V117-T121 PolarHBondContact O-OG1 3.44Å
118D84.2Confident80.9Confident116 Ų11694.4 Ų94.462%0.6256%0.562SS**Hα-helixtrans-56.4-40.2176.9-66.7-34.8000112.2A116 D122A116-D118 PolarHBondContact O-N 2.93Å; D118-D122 VanDerWaalsContact O-CB 3.28Å; D118-D122 WeakPolarHBondContact O-CB 3.46Å; D118-D122 PolarHBondContact O-N 3.25Å; D118-D122 VanDerWaalsContact O-N 3.14Å
119R85.5Confident82.1Confident169 Ų16996.2 Ų96.264%0.63857%0.566SS**Hα-helixtrans-69.5-34.6177.8-171.2-176.869.2-154.70.8112.3A116 V117A116-R119 WeakPolarHBondContact O-CB 3.43Å; A116-R119 PolarHBondContact O-N 3.49Å; A116-R119 VanDerWaalsContact O-N 3.1Å; V117-R119 PolarHBondContact O-N 3.44Å
120L84.9Confident83.1Confident115 Ų11594.1 Ų94.160%0.60255%0.547SS*.Hα-helixtrans-79.1-27.5-178.8-70.4167.4000112.3A116 V117 Y126A116-L120 HydrophobicContact CB-CD1 4.14Å; A116-L120 HydrophobicContact CB-CG 4.38Å; A116-L120 WeakPolarHBondContact O-CB 3.28Å; A116-L120 VanDerWaalsContact O-CG 3.25Å; A116-L120 WeakPolarHBondContact O-CG 3.4Å; A116-L120 PolarHBondContact O-N 3.16Å; V117-L120 PolarHBondContact O-N 2.89Å; L120-Y126 PolarHBondContact O-OH 3.19Å
121T84.4Confident84.1Confident87 Ų8790.6 Ų90.653%0.53453%0.532SS..Hα-helixtrans-1021.1-178.560.20000114V117 T123V117-T121 HydrophobicContact CG1-CG2 4.23Å; V117-T121 PolarHBondContact O-N 3.1Å; V117-T121 PolarHBondContact O-OG1 3.44Å; T121-T123 PolarHBondContact O-N 3.44Å; T121-T123 VanDerWaalsContact O-N 3.1Å
122D88.1Confident85Confident46 Ų4691.7 Ų91.725%0.24652%0.521CS..  trans-73.198.6176.4-178.80.8000111.4D118 S124 K125D118-D122 VanDerWaalsContact O-CB 3.28Å; D118-D122 WeakPolarHBondContact O-CB 3.46Å; D118-D122 PolarHBondContact O-N 3.25Å; D118-D122 VanDerWaalsContact O-N 3.14Å; D122-S124 VanDerWaalsContact CG-OG 3.27Å; D122-S124 PolarHBondContact O-N 3.29Å; D122-S124 VanDerWaalsContact OD1-CB 3.24Å; D122-S124 WeakPolarHBondContact OD1-CB 3.25Å; D122-S124 PolarHBondContact OD1-N 3.48Å; D122-S124 PolarHBondContact OD1-OG 3.4Å; D122-S124 PolarHBondContact OD2-OG 2.89Å; D122-K125 HydrophobicContact CB-CD 4.42Å; D122-K125 HydrophobicContact CB-CG 4.49Å; D122-K125 PolarHBondContact O-N 2.99Å; D122-K125 WeakPolarHBondContact OD2-CE 3.47Å; D122-K125 WeakPolarHBondContact OD2-CG 3.49Å; D122-K125 IonicContact OD2-NZ 3.39Å; D122-K125 PolarHBondContact OD2-NZ 3.14Å
123T89.2Confident85.9Confident30 Ų3091.6 Ų91.618%0.18451%0.511CS..G310 helixtrans-65.8-21179.954.60000113.1T121 K125 Y126 F134 G138T121-T123 PolarHBondContact O-N 3.44Å; T121-T123 VanDerWaalsContact O-N 3.1Å; T123-K125 PolarHBondContact O-N 3.23Å; T123-Y126 HydrophobicContact CG2-CD2 4.23Å; T123-Y126 HydrophobicContact CG2-CE2 3.91Å; T123-Y126 WeakPolarHBondContact O-CB 3.28Å; T123-Y126 PolarHBondContact O-N 3Å; T123-Y126 VanDerWaalsContact O-N 3.13Å; T123-F134 HydrophobicContact CG2-CB 4.29Å; T123-F134 HydrophobicContact CG2-CD1 3.6Å; T123-F134 HydrophobicContact CG2-CD2 4.09Å; T123-F134 HydrophobicContact CG2-CE1 3.86Å; T123-F134 HydrophobicContact CG2-CE2 4.34Å; T123-F134 HydrophobicContact CG2-CG 3.72Å; T123-F134 HydrophobicContact CG2-CZ 4.22Å; T123-G138 WeakPolarHBondContact OG1-CA 3.38Å
124S88.5Confident86.8Confident93 Ų9389.5 Ų89.565%0.6549%0.493SS*.G310 helixtrans-66.2-23.5178.2770000112.5D122D122-S124 VanDerWaalsContact CG-OG 3.27Å; D122-S124 PolarHBondContact O-N 3.29Å; D122-S124 VanDerWaalsContact OD1-CB 3.24Å; D122-S124 WeakPolarHBondContact OD1-CB 3.25Å; D122-S124 PolarHBondContact OD1-N 3.48Å; D122-S124 PolarHBondContact OD1-OG 3.4Å; D122-S124 PolarHBondContact OD2-OG 2.89Å
125K88.5Confident87.3Confident126 Ų12686.9 Ų86.955%0.54848%0.476SS..G310 helixtrans-84.3-7.4177.1-68.5-175.6176.4100.50113.6D122 T123D122-K125 HydrophobicContact CB-CD 4.42Å; D122-K125 HydrophobicContact CB-CG 4.49Å; D122-K125 PolarHBondContact O-N 2.99Å; D122-K125 WeakPolarHBondContact OD2-CE 3.47Å; D122-K125 WeakPolarHBondContact OD2-CG 3.49Å; D122-K125 IonicContact OD2-NZ 3.39Å; D122-K125 PolarHBondContact OD2-NZ 3.14Å; T123-K125 PolarHBondContact O-N 3.23Å
126Y89.6Confident87.8Confident81 Ų8193.6 Ų93.632%0.31849%0.488SS..  trans-71.9135.7176-65-22000111L120 T123 H130 K131 F134L120-Y126 PolarHBondContact O-OH 3.19Å; T123-Y126 HydrophobicContact CG2-CD2 4.23Å; T123-Y126 HydrophobicContact CG2-CE2 3.91Å; T123-Y126 WeakPolarHBondContact O-CB 3.28Å; T123-Y126 PolarHBondContact O-N 3Å; T123-Y126 VanDerWaalsContact O-N 3.13Å; Y126-H130 HydrophobicContact CG-CB 4.49Å; Y126-K131 WeakPolarHBondContact O-CB 3.4Å; Y126-F134 AromaticContact CD2-CD2 3.7Å; Y126-F134 HydrophobicContact CD2-CD2 3.7Å; Y126-F134 AromaticContact CD2-CE2 3.46Å; Y126-F134 HydrophobicContact CD2-CE2 3.46Å; Y126-F134 VanDerWaalsContact CD2-CE2 3.46Å; Y126-F134 HydrophobicContact CD2-CZ 4.33Å; Y126-F134 HydrophobicContact CE2-CD2 4.05Å; Y126-F134 AromaticContact CE2-CE2 3.43Å; Y126-F134 HydrophobicContact CE2-CE2 3.43Å; Y126-F134 VanDerWaalsContact CE2-CE2 3.43Å; Y126-F134 AromaticContact CE2-CZ 3.85Å; Y126-F134 HydrophobicContact CE2-CZ 3.85Å
127T91Very high88.1Confident114 Ų11496.4 Ų96.470%0.69951%0.505SS*.  trans-119.1168.8-178.862.30000110.8H130T127-H130 PolarHBondContact O-N 3.45Å
128G89.2Confident88.2Confident60 Ų6095.4 Ų95.462%0.61950%0.504SS*.G310 helixtrans58-142.8-179.400000112.8H130 K131G128-H130 PolarHBondContact O-N 3.1Å; G128-K131 WeakPolarHBondContact O-CB 3.37Å; G128-K131 PolarHBondContact O-N 3.25Å; G128-K131 VanDerWaalsContact O-N 3.16Å
129T87.2Confident88.5Confident105 Ų10597 Ų9764%0.64451%0.505SS*.G310 helixtrans-65.4-19.6-177.3580000113.8
130H88.6Confident88.8Confident91 Ų9191 Ų9142%0.42150%0.496SS..G310 helixtrans-72.6-30.3176.2-79.8-102.3000112.5Y126 T127 G128 E132 R133 F134Y126-H130 HydrophobicContact CG-CB 4.49Å; T127-H130 PolarHBondContact O-N 3.45Å; G128-H130 PolarHBondContact O-N 3.1Å; H130-E132 VanDerWaalsContact C-N 3.29Å; H130-E132 PolarHBondContact O-N 3.14Å; H130-R133 PolarHBondContact CE1-NH1 3.41Å; H130-R133 WeakPolarHBondContact O-CB 3.49Å; H130-R133 PolarHBondContact O-N 3.15Å; H130-F134 WeakPolarHBondContact O-CD2 3.11Å
131K89.6Confident89.1Confident125 Ų12589.8 Ų89.854%0.54349%0.486SS..G310 helixtrans-60.9-41.1175.5-168.4177.5176.7-179.10111.3Y126 G128 R133 F134Y126-K131 WeakPolarHBondContact O-CB 3.4Å; G128-K131 WeakPolarHBondContact O-CB 3.37Å; G128-K131 PolarHBondContact O-N 3.25Å; G128-K131 VanDerWaalsContact O-N 3.16Å; K131-R133 PolarHBondContact O-N 2.86Å; K131-R133 VanDerWaalsContact O-N 3.14Å; K131-F134 PolarHBondContact O-N 2.97Å
132E89.3Confident89.4Confident112 Ų11287.7 Ų87.752%0.52348%0.482SS..G310 helixtrans-65.2-18.2-178.7-62.1-50.7129.200113.8H130 F134 K141 G145H130-E132 VanDerWaalsContact C-N 3.29Å; H130-E132 PolarHBondContact O-N 3.14Å; E132-F134 VanDerWaalsContact C-N 3.29Å; E132-F134 PolarHBondContact O-N 2.86Å; E132-K141 WeakPolarHBondContact O-CD 3.47Å; E132-K141 PolarHBondContact O-NZ 3.31Å; E132-K141 VanDerWaalsContact O-NZ 3.15Å; E132-G145 WeakPolarHBondContact O-CA 3.44Å
133R90.8Very high89.3Confident87 Ų8790.5 Ų90.533%0.32850%0.496SS..G310 helixtrans-74.4-16.8-179.1-64.8178.9176.6-174.10.2114H130 K131 G140 K141 G145H130-R133 PolarHBondContact CE1-NH1 3.41Å; H130-R133 WeakPolarHBondContact O-CB 3.49Å; H130-R133 PolarHBondContact O-N 3.15Å; K131-R133 PolarHBondContact O-N 2.86Å; K131-R133 VanDerWaalsContact O-N 3.14Å; R133-G140 WeakPolarHBondContact O-CA 3.41Å; R133-K141 PolarHBondContact O-N 2.88Å; R133-G145 WeakPolarHBondContact CG-O 3.4Å
134F92.2Very high89.1Confident57 Ų5791.9 Ų91.925%0.2551%0.51CS..BIsolated β-bridgetrans-122.1149.2-176.1-58.6-88.1000111T123 Y126 H130 K131 E132 G138 K139 K141T123-F134 HydrophobicContact CG2-CB 4.29Å; T123-F134 HydrophobicContact CG2-CD1 3.6Å; T123-F134 HydrophobicContact CG2-CD2 4.09Å; T123-F134 HydrophobicContact CG2-CE1 3.86Å; T123-F134 HydrophobicContact CG2-CE2 4.34Å; T123-F134 HydrophobicContact CG2-CG 3.72Å; T123-F134 HydrophobicContact CG2-CZ 4.22Å; Y126-F134 AromaticContact CD2-CD2 3.7Å; Y126-F134 HydrophobicContact CD2-CD2 3.7Å; Y126-F134 AromaticContact CD2-CE2 3.46Å; Y126-F134 HydrophobicContact CD2-CE2 3.46Å; Y126-F134 VanDerWaalsContact CD2-CE2 3.46Å; Y126-F134 HydrophobicContact CD2-CZ 4.33Å; Y126-F134 HydrophobicContact CE2-CD2 4.05Å; Y126-F134 AromaticContact CE2-CE2 3.43Å; Y126-F134 HydrophobicContact CE2-CE2 3.43Å; Y126-F134 VanDerWaalsContact CE2-CE2 3.43Å; Y126-F134 AromaticContact CE2-CZ 3.85Å; Y126-F134 HydrophobicContact CE2-CZ 3.85Å; H130-F134 WeakPolarHBondContact O-CD2 3.11Å; K131-F134 PolarHBondContact O-N 2.97Å; E132-F134 VanDerWaalsContact C-N 3.29Å; E132-F134 PolarHBondContact O-N 2.86Å; F134-G138 WeakPolarHBondContact CD1-O 3.48Å; F134-K139 CarbonylContact C-O 3.54Å; F134-K139 VanDerWaalsContact CA-O 3.28Å; F134-K139 WeakPolarHBondContact CA-O 3.28Å; F134-K141 WeakPolarHBondContact O-CE 3.33Å; F134-K141 PolarHBondContact O-NZ 3.08Å
135D89.3Confident88.9Confident60 Ų6088 Ų8832%0.32149%0.485SS..  trans-81.3177.3168.56625.1000111.6S137 G138 K139 K141D135-S137 VanDerWaalsContact CG-OG 3.31Å; D135-S137 PolarHBondContact O-N 3.47Å; D135-S137 WeakPolarHBondContact OD1-CA 3.46Å; D135-S137 WeakPolarHBondContact OD1-CB 3.35Å; D135-S137 PolarHBondContact OD1-N 3.16Å; D135-S137 PolarHBondContact OD1-OG 3.41Å; D135-S137 PolarHBondContact OD2-OG 2.59Å; D135-G138 PolarHBondContact O-N 2.94Å; D135-G138 PolarHBondContact OD1-N 3.35Å; D135-G138 VanDerWaalsContact OD1-N 3.08Å; D135-K139 PolarHBondContact N-O 2.99Å; D135-K139 PolarHBondContact OD1-N 2.7Å; D135-K139 WeakPolarHBondContact OD2-CB 3.49Å; D135-K141 HydrophobicContact CB-CG 4.4Å
136E87.7Confident88.7Confident211 Ų21191 Ų9199%0.98649%0.493SS*.THydrogen-bonded Turntrans-63.5-19.8-179.9-61.1-171.7111.500113.1G138E136-G138 VanDerWaalsContact C-N 3.31Å
137S88Confident88.3Confident97 Ų9792.8 Ų92.868%0.67850%0.504SS*.THydrogen-bonded Turntrans-84.6-5.5174.578.30000113.4D135 K139D135-S137 VanDerWaalsContact CG-OG 3.31Å; D135-S137 PolarHBondContact O-N 3.47Å; D135-S137 WeakPolarHBondContact OD1-CA 3.46Å; D135-S137 WeakPolarHBondContact OD1-CB 3.35Å; D135-S137 PolarHBondContact OD1-N 3.16Å; D135-S137 PolarHBondContact OD1-OG 3.41Å; D135-S137 PolarHBondContact OD2-OG 2.59Å; S137-K139 VanDerWaalsContact C-N 3.33Å
138G87.6Confident87.4Confident22 Ų2293 Ų9323%0.22751%0.505CS..SBendtrans81.29.4-174.800000114.5T123 F134 D135 E136T123-G138 WeakPolarHBondContact OG1-CA 3.38Å; F134-G138 WeakPolarHBondContact CD1-O 3.48Å; D135-G138 PolarHBondContact O-N 2.94Å; D135-G138 PolarHBondContact OD1-N 3.35Å; D135-G138 VanDerWaalsContact OD1-N 3.08Å; E136-G138 VanDerWaalsContact C-N 3.31Å
139K89.4Confident86.5Confident148 Ų14896.8 Ų96.864%0.64351%0.509SS*.  trans-82.2140.8174.4-171.4178.6-177.71790109.8F134 D135 S137 K141F134-K139 CarbonylContact C-O 3.54Å; F134-K139 VanDerWaalsContact CA-O 3.28Å; F134-K139 WeakPolarHBondContact CA-O 3.28Å; D135-K139 PolarHBondContact N-O 2.99Å; D135-K139 PolarHBondContact OD1-N 2.7Å; D135-K139 WeakPolarHBondContact OD2-CB 3.49Å; S137-K139 VanDerWaalsContact C-N 3.33Å; K139-K141 PolarHBondContact O-N 3.08Å
140G92.3Very high85.6Confident44 Ų4496.7 Ų96.745%0.45450%0.504SS..BIsolated β-bridgetrans-65.8131.4177.600000111.5R133 G142R133-G140 WeakPolarHBondContact O-CA 3.41Å; G140-G142 PolarHBondContact O-N 3.39Å
141K90.4Very high84.8Confident89 Ų8998.8 Ų98.839%0.38752%0.518SS..  trans-73.2-3.6175-63.5-174.4-172.1148.30113.7E132 R133 F134 D135 K139 I143E132-K141 WeakPolarHBondContact O-CD 3.47Å; E132-K141 PolarHBondContact O-NZ 3.31Å; E132-K141 VanDerWaalsContact O-NZ 3.15Å; R133-K141 PolarHBondContact O-N 2.88Å; F134-K141 WeakPolarHBondContact O-CE 3.33Å; F134-K141 PolarHBondContact O-NZ 3.08Å; D135-K141 HydrophobicContact CB-CG 4.4Å; K139-K141 PolarHBondContact O-N 3.08Å; K141-I143 PolarHBondContact O-N 3.13Å
142G90.2Very high83.9Confident43 Ų43100.7 Ų100.744%0.44354%0.535SS..G310 helixtrans65.7-128.9-176.800000112G140 G145 R146G140-G142 PolarHBondContact O-N 3.39Å; G142-G145 PolarHBondContact O-N 3.39Å; G142-R146 WeakPolarHBondContact O-CG 3.24Å
143I86.3Confident83.4Confident106 Ų10699.6 Ų99.654%0.54454%0.536SS..G310 helixtrans-66.6-36.1-177.7-163.9165.4000112.6K141 G145 R146 E147K141-I143 PolarHBondContact O-N 3.13Å; I143-G145 PolarHBondContact O-N 2.69Å; I143-G145 VanDerWaalsContact O-N 3.16Å; I143-R146 PolarHBondContact O-N 3.16Å; I143-E147 WeakPolarHBondContact CD1-OE2 3.37Å; I143-E147 HydrophobicContact CG1-CB 4.45Å; I143-E147 HydrophobicContact CG1-CG 3.94Å; I143-E147 WeakPolarHBondContact CG1-OE2 3.13Å; I143-E147 PolarHBondContact O-N 3.28Å
144A84.9Confident82.9Confident59 Ų5999.3 Ų99.349%0.48856%0.56SS.*G310 helixtrans-63.8-23.3-178.500000113.6M149A144-M149 HydrophobicContact CB-CE 4.48Å
145G85.4Confident82.4Confident12 Ų12101.9 Ų101.912%0.12457%0.569CS.*G310 helixtrans-94.92.1174.600000114.2E132 R133 G142 I143E132-G145 WeakPolarHBondContact O-CA 3.44Å; R133-G145 WeakPolarHBondContact CG-O 3.4Å; G142-G145 PolarHBondContact O-N 3.39Å; I143-G145 PolarHBondContact O-N 2.69Å; I143-G145 VanDerWaalsContact O-N 3.16Å
146R83.7Confident82Confident187 Ų187104.4 Ų104.471%0.70659%0.586SS**THydrogen-bonded Turntrans-119.1-36.3-175.4-69.5-178.4-177.7-127.72.8113G142 I143G142-R146 WeakPolarHBondContact O-CG 3.24Å; I143-R146 PolarHBondContact O-N 3.16Å
147E81.7Confident81.3Confident119 Ų11999.1 Ų99.156%0.55657%0.572SS**SBendtrans-99.7134.1179.6-67.1-169.315400110.6I143 M149I143-E147 WeakPolarHBondContact CD1-OE2 3.37Å; I143-E147 HydrophobicContact CG1-CB 4.45Å; I143-E147 HydrophobicContact CG1-CG 3.94Å; I143-E147 WeakPolarHBondContact CG1-OE2 3.13Å; I143-E147 PolarHBondContact O-N 3.28Å; E147-M149 PolarHBondContact O-N 3.25Å; E147-M149 VanDerWaalsContact O-N 3.16Å
148V72.3Confident80.8Confident120 Ų12098 Ų9873%0.72758%0.576SS**  trans-72.9105.7164.3-177.20000105.8N150V148-N150 PolarHBondContact O-N 2.56Å
149M69.5Low80.7Confident139 Ų139103 Ų10369%0.68559%0.589SS**  trans-65.6104.3169.9-77.2173179.700107.6A144 E147 D151A144-M149 HydrophobicContact CB-CE 4.48Å; E147-M149 PolarHBondContact O-N 3.25Å; E147-M149 VanDerWaalsContact O-N 3.16Å; M149-D151 PolarHBondContact O-N 3.31Å
150N69.5Low80.4Confident102 Ų102105.5 Ų105.555%0.54560%0.6SS.*  trans-78.5117.6171.3-77.93.5000108.3V148 N152V148-N150 PolarHBondContact O-N 2.56Å; N150-N152 PolarHBondContact O-N 2.97Å; N150-N152 VanDerWaalsContact O-N 3.08Å
151D70.1Confident79.8Confident136 Ų136104.2 Ų104.273%0.72759%0.586SS**  trans-64.6108.9161.2-72.8-34.5000107.1M149 T153M149-D151 PolarHBondContact O-N 3.31Å; D151-T153 HydrophobicContact CB-CG2 3.86Å; D151-T153 PolarHBondContact O-N 3.35Å; D151-T153 PolarHBondContact O-OG1 3.26Å
152N71.6Confident79.2Confident165 Ų165102.3 Ų102.388%0.88259%0.587SS**  trans-66.842.2178.3-71.8-64.1000112.8N150 G154N150-N152 PolarHBondContact O-N 2.97Å; N150-N152 VanDerWaalsContact O-N 3.08Å; N152-G154 PolarHBondContact O-N 3.19Å
153T78.5Confident78.7Confident89 Ų89102.7 Ų102.755%0.54659%0.592SS.*SBendtrans-75.6-7.9179.460.10000112.4D151 Y155D151-T153 HydrophobicContact CB-CG2 3.86Å; D151-T153 PolarHBondContact O-N 3.35Å; D151-T153 PolarHBondContact O-OG1 3.26Å; T153-Y155 VanDerWaalsContact O-CD2 3.28Å; T153-Y155 WeakPolarHBondContact O-CD2 3.28Å; T153-Y155 PolarHBondContact O-N 3.32Å; T153-Y155 PolarHBondContact OG1-N 3.47Å
154G81Confident78.6Confident81 Ų81100 Ų10084%0.83558%0.58SS**SBendtrans77.2-4.3-17400000114N152N152-G154 PolarHBondContact O-N 3.19Å
155Y81.3Confident78.1Confident111 Ų111105.9 Ų105.944%0.43559%0.591SS.*SBendtrans-93.8147176.4-62.7-79.5000111.3T153 Y159 A162T153-Y155 VanDerWaalsContact O-CD2 3.28Å; T153-Y155 WeakPolarHBondContact O-CD2 3.28Å; T153-Y155 PolarHBondContact O-N 3.32Å; T153-Y155 PolarHBondContact OG1-N 3.47Å; Y155-Y159 AromaticContact CD1-CD1 3.22Å; Y155-Y159 HydrophobicContact CD1-CD1 3.22Å; Y155-Y159 AromaticContact CD1-CE1 3.46Å; Y155-Y159 HydrophobicContact CD1-CE1 3.46Å; Y155-Y159 VanDerWaalsContact CD1-CE1 3.46Å; Y155-Y159 HydrophobicContact CD1-CG 4.14Å; Y155-Y159 AromaticContact CE1-CD1 3.81Å; Y155-Y159 HydrophobicContact CE1-CD1 3.81Å; Y155-Y159 AromaticContact CE1-CE1 3.57Å; Y155-Y159 HydrophobicContact CE1-CE1 3.57Å; Y155-Y159 AromaticContact CG-CD1 3.83Å; Y155-Y159 HydrophobicContact CG-CD1 3.83Å; Y155-Y159 HydrophobicContact CG-CE1 4.44Å; Y155-A162 HydrophobicContact CD1-CB 4.46Å; Y155-A162 HydrophobicContact CD2-CB 3.66Å; Y155-A162 HydrophobicContact CE1-CB 4.38Å; Y155-A162 HydrophobicContact CE2-CB 3.6Å; Y155-A162 HydrophobicContact CG-CB 4.1Å
156V80.4Confident77.8Confident112 Ų112111.4 Ų111.468%0.67962%0.618SS**PPolyproline II helixtrans-62.5143.1170.464.60000110.4G158 Y159V156-G158 PolarHBondContact O-N 3.04Å; V156-Y159 VanDerWaalsContact O-CB 3.25Å; V156-Y159 WeakPolarHBondContact O-CB 3.25Å; V156-Y159 PolarHBondContact O-N 3.29Å
157S74Confident77.5Confident101 Ų101110.9 Ų110.971%0.70662%0.621SS**THydrogen-bonded Turntrans-52.1128.6177.2-55.20000111.2
158G77Confident76.8Confident73 Ų73113.7 Ų113.775%0.75363%0.631SS**THydrogen-bonded Turntrans86.90.8-178.700000115.4V156 K160V156-G158 PolarHBondContact O-N 3.04Å; G158-K160 PolarHBondContact O-N 3.31Å
159Y84.9Confident76.5Confident126 Ų126112.5 Ų112.549%0.49462%0.624SS.*  trans-68.1116.1173.9-173.9-108.2000111.6Y155 V156 A162Y155-Y159 AromaticContact CD1-CD1 3.22Å; Y155-Y159 HydrophobicContact CD1-CD1 3.22Å; Y155-Y159 AromaticContact CD1-CE1 3.46Å; Y155-Y159 HydrophobicContact CD1-CE1 3.46Å; Y155-Y159 VanDerWaalsContact CD1-CE1 3.46Å; Y155-Y159 HydrophobicContact CD1-CG 4.14Å; Y155-Y159 AromaticContact CE1-CD1 3.81Å; Y155-Y159 HydrophobicContact CE1-CD1 3.81Å; Y155-Y159 AromaticContact CE1-CE1 3.57Å; Y155-Y159 HydrophobicContact CE1-CE1 3.57Å; Y155-Y159 AromaticContact CG-CD1 3.83Å; Y155-Y159 HydrophobicContact CG-CD1 3.83Å; Y155-Y159 HydrophobicContact CG-CE1 4.44Å; V156-Y159 VanDerWaalsContact O-CB 3.25Å; V156-Y159 WeakPolarHBondContact O-CB 3.25Å; V156-Y159 PolarHBondContact O-N 3.29Å; Y159-A162 HydrophobicContact CD1-CB 4.43Å
160K82.8Confident75.8Confident201 Ų201118.7 Ų118.787%0.87465%0.647SS**THydrogen-bonded Turntrans-86.3-7.9-175.9-61-175.9179.5-179.60114.4G158G158-K160 PolarHBondContact O-N 3.31Å
161G80.2Confident76.1Confident17 Ų17119.5 Ų119.518%0.17565%0.652CS.*THydrogen-bonded Turntrans-93.57.3-173.200000115.1G163 T164G161-G163 PolarHBondContact O-N 3.24Å; G161-T164 WeakPolarHBondContact O-CB 3.49Å; G161-T164 WeakPolarHBondContact O-CG2 3.46Å; G161-T164 PolarHBondContact O-N 3.2Å; G161-T164 PolarHBondContact O-OG1 3.37Å
162A78.8Confident76.4Confident49 Ų49118.6 Ų118.641%0.40565%0.648SS.*THydrogen-bonded Turntrans-60130.4-176.300000111.3Y155 Y159 T164Y155-A162 HydrophobicContact CD1-CB 4.46Å; Y155-A162 HydrophobicContact CD2-CB 3.66Å; Y155-A162 HydrophobicContact CE1-CB 4.38Å; Y155-A162 HydrophobicContact CE2-CB 3.6Å; Y155-A162 HydrophobicContact CG-CB 4.1Å; Y159-A162 HydrophobicContact CD1-CB 4.43Å; A162-T164 VanDerWaalsContact C-N 3.26Å; A162-T164 PolarHBondContact O-N 2.7Å
163G79.6Confident76.7Confident52 Ų52116.1 Ų116.154%0.53664%0.635SS.*THydrogen-bonded Turntrans70.115.1179.700000115.3G161G161-G163 PolarHBondContact O-N 3.24Å
164T83.1Confident76.6Confident50 Ų50117.6 Ų117.631%0.30764%0.64SS.*  trans-93.6-4.8178.865.40000114.4G161 A162 D166 K167G161-T164 WeakPolarHBondContact O-CB 3.49Å; G161-T164 WeakPolarHBondContact O-CG2 3.46Å; G161-T164 PolarHBondContact O-N 3.2Å; G161-T164 PolarHBondContact O-OG1 3.37Å; A162-T164 VanDerWaalsContact C-N 3.26Å; A162-T164 PolarHBondContact O-N 2.7Å; T164-D166 PolarHBondContact O-N 3.18Å; T164-K167 PolarHBondContact O-N 3.17Å
165Y76Confident76.3Confident181 Ų181119.9 Ų119.971%0.7163%0.628SS**Hα-helixtrans-58.1-52.1-175.9-173.6-98.1000112K167 K168Y165-K167 PolarHBondContact O-N 3.21Å; Y165-K167 VanDerWaalsContact O-N 3.17Å; Y165-K168 PolarHBondContact O-N 3.5Å
166D78.2Confident76Confident128 Ų128120.5 Ų120.568%0.68464%0.641SS**Hα-helixtrans-66.8-18.5-179.1-58.6-77.1000114T164 K168 T169T164-D166 PolarHBondContact O-N 3.18Å; D166-K168 VanDerWaalsContact C-N 3.35Å; D166-T169 PolarHBondContact O-OG1 3.36Å
167K76.7Confident75.7Confident177 Ų177121.1 Ų121.177%0.7764%0.638SS**Hα-helixtrans-78.5-18.8178.2-66.9-176.3-179175.90113.1T164 Y165T164-K167 PolarHBondContact O-N 3.17Å; Y165-K167 PolarHBondContact O-N 3.21Å; Y165-K167 VanDerWaalsContact O-N 3.17Å
168K68.1Low75.8Confident177 Ų177122.7 Ų122.777%0.7763%0.633SS**Hα-helixtrans-89.1-18-179.5-72.5-171.8178.1-179.10113.4Y165 D166 K170Y165-K168 PolarHBondContact O-N 3.5Å; D166-K168 VanDerWaalsContact C-N 3.35Å; K168-K170 PolarHBondContact O-N 3.33Å
169T65.1Low75.7Confident95 Ų95126.8 Ų126.858%0.58362%0.623SS**  trans-93.877.7177.345.90000110.1D166D166-T169 PolarHBondContact O-OG1 3.36Å
170K55.2Low74.9Confident269 Ų269126.9 Ų126.9100%1.1764%0.635SS**  trans-150.90161.6-140.4-177.7-173.1-178.20110.9K168K168-K170 PolarHBondContact O-N 3.33Å

Retrieved 170 of 170 residues in 246.1 ms (Link to these results)

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