A0A060WZR8_ONCMY Loading...

Uncharacterized protein

Acts as a transcriptional repressor.

AlphaFold DB , UniProt , Accession A0A060WZR8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene irf2bp2b, Length 508 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
1M41.3Very low50.4Low238 Ų238121.2 Ų121.2100%1.17274%0.736SS**  0105.90-69.4147.666.100106.9
2S44.5Very low53.4Low101 Ų101117.6 Ų117.671%0.70671%0.705SS**  trans-133.50.5-161.9-44.80000115.1A4S2-A4 VanDerWaalsContact C-N 3.35Å; S2-A4 PolarHBondContact O-N 3.5Å
3S43.6Very low56.6Low112 Ų112113 Ų11378%0.78368%0.682SS**SBendtrans-76.2-16.6-170.7-420000114.8
4A45.1Very low59.4Low87 Ų87104.9 Ų104.972%0.71963%0.633SS**SBendtrans-72.1-36.8-174.500000113.5S2 V6 A7S2-A4 VanDerWaalsContact C-N 3.35Å; S2-A4 PolarHBondContact O-N 3.5Å; A4-V6 PolarHBondContact O-N 2.89Å; A4-A7 WeakPolarHBondContact O-CB 3.33Å; A4-A7 PolarHBondContact O-N 3.42Å; A4-A7 VanDerWaalsContact O-N 3.14Å
5A42.1Very low61.9Low89 Ų89100.5 Ų100.574%0.73660%0.601SS**THydrogen-bonded Turntrans-64.7-24.8-173.700000113.9
6V46.2Very low64Low105 Ų10596.9 Ų96.964%0.63658%0.578SS**THydrogen-bonded Turntrans-83.3-14.8-179.1-165.90000112.1A4A4-V6 PolarHBondContact O-N 2.89Å
7A46.5Very low65.8Low60 Ų6093.6 Ų93.650%0.49656%0.56SS.*G310 helixtrans-74.7-34-178.900000112.9A4 S9 R10A4-A7 WeakPolarHBondContact O-CB 3.33Å; A4-A7 PolarHBondContact O-N 3.42Å; A4-A7 VanDerWaalsContact O-N 3.14Å; A7-S9 PolarHBondContact O-N 3.39Å; A7-R10 PolarHBondContact O-N 3.02Å
8A46.5Very low67.4Low100 Ų10092.7 Ų92.783%0.82655%0.552SS**G310 helixtrans-64.4-11.5-172.900000115.2
9S54.8Low68.9Low111 Ų11193.1 Ų93.178%0.77655%0.55SS**G310 helixtrans-1083.7176.3-1510000113.7A7 R11A7-S9 PolarHBondContact O-N 3.39Å; S9-R11 PolarHBondContact O-N 3.33Å
10R64.3Low70.1Confident178 Ų17892.4 Ų92.467%0.67255%0.549SS*.  trans-80107.5176-76.9-173.1172.1-105.1-3.8111.2A7 Q12A7-R10 PolarHBondContact O-N 3.02Å; R10-Q12 PolarHBondContact O-NE2 3.27Å
11R79.7Confident71.2Confident152 Ų15291.2 Ų91.257%0.57453%0.534SS*.PPolyproline II helixtrans-52137.9159.2-66173.8-177.1-101-6.5109.1S9 P20 R21 M22S9-R11 PolarHBondContact O-N 3.33Å; R11-P20 HydrophobicContact CB-CB 4.02Å; R11-R21 WeakPolarHBondContact CA-O 3.28Å; R11-R21 WeakPolarHBondContact CB-O 3.46Å; R11-M22 HydrophobicContact CG-SD 4.4Å; R11-M22 VanDerWaalsContact CZ-SD 3.54Å; R11-M22 PolarHBondContact NH1-SD 3.49Å
12Q86.3Confident73.6Confident78 Ų7883.2 Ų83.236%0.36450%0.495SS..EExtended strand (participates in β ladder)trans-102.9136.3-179-57.3-61.6-41.800108.7R10 R21 M26 W28R10-Q12 PolarHBondContact O-NE2 3.27Å; Q12-R21 PolarHBondContact N-O 3.3Å; Q12-R21 VanDerWaalsContact N-O 3.17Å; Q12-R21 PolarHBondContact O-N 3.31Å; Q12-M26 HydrophobicContact CB-CG 4.47Å; Q12-W28 HydrophobicContact CB-CH2 4.17Å; Q12-W28 HydrophobicContact CB-CZ2 4.37Å; Q12-W28 HydrophobicContact CG-CH2 3.92Å; Q12-W28 HydrophobicContact CG-CZ2 4.13Å
13S94.5Very high75.8Confident58 Ų5882 Ų8241%0.40649%0.485SS..EExtended strand (participates in β ladder)trans-78.4141.6176.6-78.50000111D18S13-D18 VanDerWaalsContact CB-O 3.29Å; S13-D18 WeakPolarHBondContact CB-O 3.31Å; S13-D18 PolarHBondContact OG-O 2.73Å
14C96.1Very high78.1Confident0 Ų085.5 Ų85.50%048%0.481CS..PPolyproline II helixtrans-83.8119.1174.5168.60000110.5L16 C17 D18 L19 M26 C35 C38C14-L16 PolarHBondContact O-N 3.13Å; C14-C17 VanDerWaalsContact CB-SG 3.58Å; C14-C17 PolarHBondContact O-N 3.33Å; C14-D18 WeakPolarHBondContact O-CA 3.29Å; C14-D18 PolarHBondContact O-N 3.46Å; C14-L19 PolarHBondContact N-O 2.91Å; C14-M26 HydrophobicContact CB-CE 4.17Å; C14-M26 HydrophobicContact CB-SD 4.17Å; C14-C35 HydrophobicContact CB-CB 3.97Å; C14-C35 PolarHBondContact SG-N 3.29Å; C14-C35 VanDerWaalsContact SG-SG 3.62Å; C14-C38 VanDerWaalsContact SG-SG 3.67Å
15Y96.4Very high80.5Confident38 Ų3882 Ų8215%0.14945%0.452CS..THydrogen-bonded Turntrans-50.7-34.1-172.8-171.5-91.8000115.3E32 P33 I51 A54 R55Y15-E32 HydrophobicContact CD1-CB 3.96Å; Y15-E32 HydrophobicContact CD1-CG 3.79Å; Y15-E32 HydrophobicContact CD2-CB 3.78Å; Y15-E32 VanDerWaalsContact CD2-CD 3.48Å; Y15-E32 HydrophobicContact CD2-CG 3.54Å; Y15-E32 WeakPolarHBondContact CD2-OE2 3.32Å; Y15-E32 HydrophobicContact CE1-CG 3.93Å; Y15-E32 HydrophobicContact CE2-CB 4.42Å; Y15-E32 HydrophobicContact CE2-CG 3.67Å; Y15-E32 HydrophobicContact CG-CB 3.52Å; Y15-E32 HydrophobicContact CG-CG 3.6Å; Y15-P33 PolarHBondContact N-O 3.14Å; Y15-I51 HydrophobicContact CE1-CG2 4.47Å; Y15-A54 HydrophobicContact CE1-CB 4.13Å; Y15-R55 WeakPolarHBondContact OH-CA 3.14Å; Y15-R55 WeakPolarHBondContact OH-CB 3.41Å; Y15-R55 WeakPolarHBondContact OH-CG 3.23Å
16L96Very high83Confident43 Ų4378.2 Ų78.223%0.22542%0.419CS..THydrogen-bonded Turntrans-87.8-7.5-177.7-66.4179.9000115.2C14 V34 C38 I47 V50 I51 A54C14-L16 PolarHBondContact O-N 3.13Å; L16-V34 HydrophobicContact CD1-CG1 3.96Å; L16-V34 HydrophobicContact CD1-CG2 4.13Å; L16-V34 HydrophobicContact CG-CG1 4.43Å; L16-V34 HydrophobicContact CG-CG2 3.98Å; L16-C38 HydrophobicContact CB-CB 4.49Å; L16-C38 HydrophobicContact CD1-CB 4.33Å; L16-I47 HydrophobicContact CD1-CD1 3.41Å; L16-I47 VanDerWaalsContact CD1-CD1 3.41Å; L16-I47 HydrophobicContact CD1-CG1 3.92Å; L16-V50 HydrophobicContact CD1-CB 4.49Å; L16-V50 HydrophobicContact CD1-CG1 3.91Å; L16-V50 HydrophobicContact CD2-CG1 3.93Å; L16-I51 HydrophobicContact CD1-CG1 4.22Å; L16-I51 HydrophobicContact CD2-CG1 4.26Å; L16-I51 HydrophobicContact CG-CG1 4.27Å; L16-A54 HydrophobicContact CD2-CB 3.66Å
17C95.3Very high85.4Confident41 Ų4174.5 Ų74.528%0.27740%0.396SS..THydrogen-bonded Turntrans-143.42.8179.765.70000114.6C14 L19 R21C14-C17 VanDerWaalsContact CB-SG 3.58Å; C14-C17 PolarHBondContact O-N 3.33Å; C17-L19 WeakPolarHBondContact O-CD1 3.43Å; C17-L19 PolarHBondContact O-N 3.27Å; C17-R21 PolarHBondContact SG-NH2 3.38Å
18D94.7Very high87.7Confident78 Ų7878.5 Ų78.542%0.41740%0.398SS..  trans51-5.6-175.9-63.5-45.4000117.4S13 C14 K58S13-D18 VanDerWaalsContact CB-O 3.29Å; S13-D18 WeakPolarHBondContact CB-O 3.31Å; S13-D18 PolarHBondContact OG-O 2.73Å; C14-D18 WeakPolarHBondContact O-CA 3.29Å; C14-D18 PolarHBondContact O-N 3.46Å; D18-K58 IonicContact OD1-NZ 3.94Å
19L94.9Very high90Very high100 Ų10080.5 Ų80.552%0.52440%0.395SS..  trans-61.1130.4179.3-95.971.5000111.9C14 C17 R21C14-L19 PolarHBondContact N-O 2.91Å; C17-L19 WeakPolarHBondContact O-CD1 3.43Å; C17-L19 PolarHBondContact O-N 3.27Å; L19-R21 PolarHBondContact O-N 2.98Å
20P93.8Very high91.9Very high79 Ų7977.5 Ų77.551%0.51337%0.368SS..EExtended strand (participates in β ladder)trans-75.8122177.930.3-34.5000111.4R11R11-P20 HydrophobicContact CB-CB 4.02Å
21R92.3Very high93.4Very high67 Ų6772.9 Ų72.925%0.25336%0.359SS..EExtended strand (participates in β ladder)trans-122.4162.1-171.4-69.7170.2-170.4-98.18.3112.3R11 Q12 C17 L19 A25 M26 C35R11-R21 WeakPolarHBondContact CA-O 3.28Å; R11-R21 WeakPolarHBondContact CB-O 3.46Å; Q12-R21 PolarHBondContact N-O 3.3Å; Q12-R21 VanDerWaalsContact N-O 3.17Å; Q12-R21 PolarHBondContact O-N 3.31Å; C17-R21 PolarHBondContact SG-NH2 3.38Å; L19-R21 PolarHBondContact O-N 2.98Å; R21-A25 HydrophobicContact CB-CB 4.39Å; R21-M26 HydrophobicContact CB-CG 4.34Å; R21-M26 HydrophobicContact CB-SD 3.85Å; R21-C35 PolarHBondContact NE-SG 3.41Å; R21-C35 VanDerWaalsContact NE-SG 3.35Å
22M93.1Very high94.2Very high71 Ų7167.9 Ų67.935%0.3534%0.343SS..  trans-71.7147.4174.1-62.2-58.4-66.900109.9R11 W24 A25R11-M22 HydrophobicContact CG-SD 4.4Å; R11-M22 VanDerWaalsContact CZ-SD 3.54Å; R11-M22 PolarHBondContact NH1-SD 3.49Å; M22-W24 HydrophobicContact CB-CD2 4.19Å; M22-W24 HydrophobicContact CB-CG 4.2Å; M22-W24 HydrophobicContact CB-CZ2 4.16Å; M22-W24 VanDerWaalsContact CB-NE1 3.31Å; M22-W24 HydrophobicContact CG-CZ2 4.21Å; M22-W24 PolarHBondContact O-N 3.06Å; M22-W24 VanDerWaalsContact O-N 3.14Å; M22-A25 WeakPolarHBondContact O-CB 3.38Å; M22-A25 PolarHBondContact O-N 3.49Å
23P89.7Confident94.6Very high76 Ų7665.9 Ų65.949%0.49434%0.336SS..G310 helixtrans-53.5-36.9-178.7-29.636.4000114.6A25 M26P23-A25 PolarHBondContact O-N 2.81Å; P23-M26 PolarHBondContact O-N 2.95Å
24W91.7Very high94.8Very high185 Ų18563.1 Ų63.170%0.70132%0.317SS*.G310 helixtrans-66.6-20.1177.360.7-107.7000114.6M22 R36M22-W24 HydrophobicContact CB-CD2 4.19Å; M22-W24 HydrophobicContact CB-CG 4.2Å; M22-W24 HydrophobicContact CB-CZ2 4.16Å; M22-W24 VanDerWaalsContact CB-NE1 3.31Å; M22-W24 HydrophobicContact CG-CZ2 4.21Å; M22-W24 PolarHBondContact O-N 3.06Å; M22-W24 VanDerWaalsContact O-N 3.14Å; W24-R36 PolarHBondContact O-NE 2.8Å; W24-R36 VanDerWaalsContact O-NE 3.16Å
25A95Very high94.8Very high12 Ų1263.1 Ų63.110%0.09932%0.317CS..G310 helixtrans-91.3-6.7178.200000112.7R21 M22 P23 C35 R36R21-A25 HydrophobicContact CB-CB 4.39Å; M22-A25 WeakPolarHBondContact O-CB 3.38Å; M22-A25 PolarHBondContact O-N 3.49Å; P23-A25 PolarHBondContact O-N 2.81Å; A25-C35 VanDerWaalsContact O-CA 3.27Å; A25-C35 WeakPolarHBondContact O-CA 3.44Å; A25-C35 WeakPolarHBondContact O-CB 3.32Å; A25-R36 PolarHBondContact O-N 2.97Å
26M96.1Very high94.9Very high10 Ų1068.3 Ų68.35%0.04934%0.336CS..EExtended strand (participates in β ladder)trans-95.2147.1178.2-64.5-57.1-66.700110.8Q12 C14 R21 P23 W28 P33 C35Q12-M26 HydrophobicContact CB-CG 4.47Å; C14-M26 HydrophobicContact CB-CE 4.17Å; C14-M26 HydrophobicContact CB-SD 4.17Å; R21-M26 HydrophobicContact CB-CG 4.34Å; R21-M26 HydrophobicContact CB-SD 3.85Å; P23-M26 PolarHBondContact O-N 2.95Å; M26-W28 HydrophobicContact CB-CZ2 4.02Å; M26-W28 HydrophobicContact CG-CZ2 4.46Å; M26-P33 VanDerWaalsContact CE-C 3.46Å; M26-P33 HydrophobicContact CE-CB 3.75Å; M26-P33 WeakPolarHBondContact CE-O 3.34Å; M26-C35 HydrophobicContact SD-CB 3.92Å
27I95.4Very high94.9Very high28 Ų2868.3 Ų68.314%0.14435%0.347CS..EExtended strand (participates in β ladder)trans-118.9142.1172.3-64.4165000106.6D29 F30 V34 R36 V39I27-D29 HydrophobicContact CG2-CB 4.19Å; I27-D29 VanDerWaalsContact CG2-OD2 3.22Å; I27-D29 WeakPolarHBondContact CG2-OD2 3.35Å; I27-F30 HydrophobicContact CB-CE2 4.34Å; I27-F30 HydrophobicContact CG2-CD2 3.82Å; I27-F30 HydrophobicContact CG2-CE2 3.52Å; I27-V34 WeakPolarHBondContact CA-O 3.35Å; I27-V34 PolarHBondContact N-O 3Å; I27-V34 PolarHBondContact O-N 3.19Å; I27-V34 VanDerWaalsContact O-O 3.12Å; I27-R36 HydrophobicContact CD1-CB 4.38Å; I27-R36 HydrophobicContact CD1-CG 3.76Å; I27-R36 HydrophobicContact CG1-CG 3.96Å; I27-V39 HydrophobicContact CD1-CB 4.04Å; I27-V39 HydrophobicContact CD1-CG1 4.22Å; I27-V39 HydrophobicContact CD1-CG2 3.73Å
28W95.2Very high95Very high143 Ų14367.2 Ų67.254%0.54234%0.339SS..  trans-125.17.3-170.2-5787000112.5Q12 M26 F30 P33Q12-W28 HydrophobicContact CB-CH2 4.17Å; Q12-W28 HydrophobicContact CB-CZ2 4.37Å; Q12-W28 HydrophobicContact CG-CH2 3.92Å; Q12-W28 HydrophobicContact CG-CZ2 4.13Å; M26-W28 HydrophobicContact CB-CZ2 4.02Å; M26-W28 HydrophobicContact CG-CZ2 4.46Å; W28-F30 VanDerWaalsContact C-N 3.26Å; W28-F30 PolarHBondContact O-N 3.25Å; W28-P33 HydrophobicContact CE3-CB 3.87Å; W28-P33 HydrophobicContact CH2-CB 4.06Å; W28-P33 HydrophobicContact CZ3-CB 3.63Å; W28-P33 HydrophobicContact CZ3-CG 4.35Å
29D95.6Very high95.1Very high143 Ų14364.1 Ų64.177%0.76532%0.323SS*.SBendtrans-88.18.3-173.2-45.8-54.2000112.9I27I27-D29 HydrophobicContact CG2-CB 4.19Å; I27-D29 VanDerWaalsContact CG2-OD2 3.22Å; I27-D29 WeakPolarHBondContact CG2-OD2 3.35Å
30F94.8Very high95.3Very high48 Ų4866 Ų6621%0.21133%0.334CS..SBendtrans-123.2166-177.6-55.5-62.5000110.2I27 W28 E32 V39 I47 E48 I51I27-F30 HydrophobicContact CB-CE2 4.34Å; I27-F30 HydrophobicContact CG2-CD2 3.82Å; I27-F30 HydrophobicContact CG2-CE2 3.52Å; W28-F30 VanDerWaalsContact C-N 3.26Å; W28-F30 PolarHBondContact O-N 3.25Å; F30-E32 PolarHBondContact O-N 3.08Å; F30-V39 HydrophobicContact CD2-CG2 4.42Å; F30-V39 HydrophobicContact CE2-CG2 3.71Å; F30-V39 HydrophobicContact CZ-CG2 4.44Å; F30-I47 HydrophobicContact CD1-CG2 3.48Å; F30-I47 VanDerWaalsContact CD1-CG2 3.48Å; F30-I47 HydrophobicContact CD2-CG2 3.84Å; F30-I47 HydrophobicContact CE1-CG2 3.33Å; F30-I47 HydrophobicContact CE2-CG2 3.71Å; F30-I47 HydrophobicContact CG-CG2 3.74Å; F30-I47 HydrophobicContact CZ-CG2 3.47Å; F30-I47 VanDerWaalsContact CZ-CG2 3.47Å; F30-E48 VanDerWaalsContact CA-OE2 3.24Å; F30-E48 WeakPolarHBondContact CA-OE2 3.49Å; F30-E48 WeakPolarHBondContact CB-OE2 3.27Å; F30-I51 HydrophobicContact CB-CD1 3.69Å; F30-I51 HydrophobicContact CG-CD1 4.39Å
31T95.6Very high95.4Very high80 Ų8071.3 Ų71.349%0.49135%0.345SS..SBendtrans-69.3-5.2-175.571.70000115.4E48 R55T31-E48 VanDerWaalsContact CB-OE1 3.26Å; T31-E48 WeakPolarHBondContact CB-OE1 3.34Å; T31-E48 WeakPolarHBondContact CG2-OE1 3.41Å; T31-E48 PolarHBondContact N-OE1 3.49Å; T31-E48 PolarHBondContact N-OE2 3.37Å; T31-E48 PolarHBondContact OG1-OE1 3.46Å; T31-R55 PolarHBondContact O-NH2 2.93Å; T31-R55 VanDerWaalsContact O-NH2 3.14Å; T31-R55 PolarHBondContact OG1-NH1 2.96Å; T31-R55 VanDerWaalsContact OG1-NH1 3.15Å; T31-R55 PolarHBondContact OG1-NH2 2.98Å
32E95.8Very high95.7Very high48 Ų4871.5 Ų71.522%0.22435%0.349CS..SBendtrans-138.1153168-63.7-68.3168.200110.4Y15 F30 V34 I51 R55Y15-E32 HydrophobicContact CD1-CB 3.96Å; Y15-E32 HydrophobicContact CD1-CG 3.79Å; Y15-E32 HydrophobicContact CD2-CB 3.78Å; Y15-E32 VanDerWaalsContact CD2-CD 3.48Å; Y15-E32 HydrophobicContact CD2-CG 3.54Å; Y15-E32 WeakPolarHBondContact CD2-OE2 3.32Å; Y15-E32 HydrophobicContact CE1-CG 3.93Å; Y15-E32 HydrophobicContact CE2-CB 4.42Å; Y15-E32 HydrophobicContact CE2-CG 3.67Å; Y15-E32 HydrophobicContact CG-CB 3.52Å; Y15-E32 HydrophobicContact CG-CG 3.6Å; F30-E32 PolarHBondContact O-N 3.08Å; E32-V34 PolarHBondContact O-N 3.42Å; E32-V34 VanDerWaalsContact O-N 3.13Å; E32-I51 HydrophobicContact CB-CD1 4.42Å; E32-I51 HydrophobicContact CB-CG1 4.49Å; E32-I51 HydrophobicContact CB-CG2 3.87Å; E32-I51 HydrophobicContact CG-CG2 3.43Å; E32-I51 VanDerWaalsContact CG-CG2 3.43Å; E32-R55 VanDerWaalsContact CD-NH2 3.35Å; E32-R55 VanDerWaalsContact CG-NH2 3.27Å; E32-R55 IonicContact OE1-CZ 3.89Å; E32-R55 VanDerWaalsContact OE1-CZ 3.31Å; E32-R55 IonicContact OE1-NE 2.7Å; E32-R55 PolarHBondContact OE1-NE 3.47Å; E32-R55 IonicContact OE1-NH2 3.3Å; E32-R55 PolarHBondContact OE1-NH2 2.81Å
33P95.6Very high95.8Very high36 Ų3669.4 Ų69.423%0.23435%0.345CS..  trans-68.8111.117628.9-35.1000111.1Y15 M26 W28Y15-P33 PolarHBondContact N-O 3.14Å; M26-P33 VanDerWaalsContact CE-C 3.46Å; M26-P33 HydrophobicContact CE-CB 3.75Å; M26-P33 WeakPolarHBondContact CE-O 3.34Å; W28-P33 HydrophobicContact CE3-CB 3.87Å; W28-P33 HydrophobicContact CH2-CB 4.06Å; W28-P33 HydrophobicContact CZ3-CB 3.63Å; W28-P33 HydrophobicContact CZ3-CG 4.35Å
34V97.1Very high96.1Very high0 Ų068.3 Ų68.30%034%0.343CS..EExtended strand (participates in β ladder)trans-123.2151.2-177.4175.20000110.3L16 I27 E32 C38 V39 I47 I51L16-V34 HydrophobicContact CD1-CG1 3.96Å; L16-V34 HydrophobicContact CD1-CG2 4.13Å; L16-V34 HydrophobicContact CG-CG1 4.43Å; L16-V34 HydrophobicContact CG-CG2 3.98Å; I27-V34 WeakPolarHBondContact CA-O 3.35Å; I27-V34 PolarHBondContact N-O 3Å; I27-V34 PolarHBondContact O-N 3.19Å; I27-V34 VanDerWaalsContact O-O 3.12Å; E32-V34 PolarHBondContact O-N 3.42Å; E32-V34 VanDerWaalsContact O-N 3.13Å; V34-C38 HydrophobicContact CG1-CB 3.63Å; V34-V39 HydrophobicContact CG1-CG2 4.07Å; V34-I47 HydrophobicContact CG1-CD1 4.08Å; V34-I47 HydrophobicContact CG1-CG1 3.94Å; V34-I51 HydrophobicContact CG2-CD1 3.67Å; V34-I51 HydrophobicContact CG2-CG1 3.87Å
35C97.3Very high96.3Very high0 Ų067.3 Ų67.30%035%0.351CS..EExtended strand (participates in β ladder)trans-91.6156.2-176.976.40000113.7C14 R21 A25 M26 G37 C38 V39C14-C35 HydrophobicContact CB-CB 3.97Å; C14-C35 PolarHBondContact SG-N 3.29Å; C14-C35 VanDerWaalsContact SG-SG 3.62Å; R21-C35 PolarHBondContact NE-SG 3.41Å; R21-C35 VanDerWaalsContact NE-SG 3.35Å; A25-C35 VanDerWaalsContact O-CA 3.27Å; A25-C35 WeakPolarHBondContact O-CA 3.44Å; A25-C35 WeakPolarHBondContact O-CB 3.32Å; M26-C35 HydrophobicContact SD-CB 3.92Å; C35-G37 PolarHBondContact O-N 3.5Å; C35-C38 PolarHBondContact O-N 2.87Å; C35-C38 PolarHBondContact SG-N 3.47Å; C35-C38 VanDerWaalsContact SG-N 3.41Å; C35-V39 PolarHBondContact O-N 3.48Å; C35-V39 VanDerWaalsContact O-N 3.08Å
36R97.3Very high96.4Very high146 Ų14675 Ų7555%0.55138%0.378SS*.Hα-helixtrans-48.7-34.9171.9-65.7-178.2-179.8-143.5-4113W24 A25 I27 N40W24-R36 PolarHBondContact O-NE 2.8Å; W24-R36 VanDerWaalsContact O-NE 3.16Å; A25-R36 PolarHBondContact O-N 2.97Å; I27-R36 HydrophobicContact CD1-CB 4.38Å; I27-R36 HydrophobicContact CD1-CG 3.76Å; I27-R36 HydrophobicContact CG1-CG 3.96Å; R36-N40 VanDerWaalsContact O-CB 3.25Å; R36-N40 WeakPolarHBondContact O-CB 3.43Å; R36-N40 PolarHBondContact O-N 3.41Å; R36-N40 PolarHBondContact O-OD1 3Å; R36-N40 VanDerWaalsContact O-OD1 3.13Å
37G97.3Very high96.4Very high43 Ų4374.6 Ų74.644%0.44338%0.375SS..Hα-helixtrans-67.5-38.5178.600000114.3C35 Y41C35-G37 PolarHBondContact O-N 3.5Å; G37-Y41 WeakPolarHBondContact O-CB 3.36Å; G37-Y41 PolarHBondContact O-N 3.25Å
38C97.5Very high96.5Very high18 Ų1876.2 Ų76.212%0.12238%0.382CS..Hα-helixtrans-75.8-41.2176.5-64.30000110.8C14 L16 V34 C35 N40 Y41 E42 I47C14-C38 VanDerWaalsContact SG-SG 3.67Å; L16-C38 HydrophobicContact CB-CB 4.49Å; L16-C38 HydrophobicContact CD1-CB 4.33Å; V34-C38 HydrophobicContact CG1-CB 3.63Å; C35-C38 PolarHBondContact O-N 2.87Å; C35-C38 PolarHBondContact SG-N 3.47Å; C35-C38 VanDerWaalsContact SG-N 3.41Å; C38-N40 VanDerWaalsContact C-N 3.31Å; C38-N40 PolarHBondContact O-N 3.42Å; C38-Y41 PolarHBondContact O-N 3.46Å; C38-E42 PolarHBondContact O-N 3.49Å; C38-I47 HydrophobicContact CB-CD1 4.23Å
39V97.3Very high96.6Very high13 Ų1376.8 Ų76.88%0.07939%0.389CS..Hα-helixtrans-59.6-41174.9175.80000111.5I27 F30 V34 C35 Y41 G43 A44 I47I27-V39 HydrophobicContact CD1-CB 4.04Å; I27-V39 HydrophobicContact CD1-CG1 4.22Å; I27-V39 HydrophobicContact CD1-CG2 3.73Å; F30-V39 HydrophobicContact CD2-CG2 4.42Å; F30-V39 HydrophobicContact CE2-CG2 3.71Å; F30-V39 HydrophobicContact CZ-CG2 4.44Å; V34-V39 HydrophobicContact CG1-CG2 4.07Å; C35-V39 PolarHBondContact O-N 3.48Å; C35-V39 VanDerWaalsContact O-N 3.08Å; V39-Y41 VanDerWaalsContact C-N 3.29Å; V39-Y41 PolarHBondContact O-N 3.15Å; V39-G43 CarbonylContact O-C 3.57Å; V39-G43 WeakPolarHBondContact O-CA 3.19Å; V39-G43 PolarHBondContact O-N 3.42Å; V39-A44 HydrophobicContact CG1-CB 4.11Å; V39-I47 HydrophobicContact CG2-CD1 4.35Å; V39-I47 HydrophobicContact CG2-CG1 4.03Å
40N97.4Very high96.7Very high139 Ų13971.6 Ų71.674%0.74336%0.362SS*.Hα-helixtrans-71.9-18.2176.1-71.210.7000114.1R36 C38R36-N40 VanDerWaalsContact O-CB 3.25Å; R36-N40 WeakPolarHBondContact O-CB 3.43Å; R36-N40 PolarHBondContact O-N 3.41Å; R36-N40 PolarHBondContact O-OD1 3Å; R36-N40 VanDerWaalsContact O-OD1 3.13Å; C38-N40 VanDerWaalsContact C-N 3.31Å; C38-N40 PolarHBondContact O-N 3.42Å
41Y97.4Very high96.8Very high192 Ų19269.3 Ų69.375%0.75335%0.352SS*.Hα-helixtrans-93.1-46.6-178.6-176.7-100.7000112.1G37 C38 V39G37-Y41 WeakPolarHBondContact O-CB 3.36Å; G37-Y41 PolarHBondContact O-N 3.25Å; C38-Y41 PolarHBondContact O-N 3.46Å; V39-Y41 VanDerWaalsContact C-N 3.29Å; V39-Y41 PolarHBondContact O-N 3.15Å
42E96.8Very high96.9Very high71 Ų7168.3 Ų68.333%0.33234%0.342SS..Hα-helixtrans-81.9-29.9178-60.1-61.8149.600112.8C38 R46 I47 V50C38-E42 PolarHBondContact O-N 3.49Å; E42-R46 WeakPolarHBondContact O-CD 3.48Å; E42-I47 HydrophobicContact CB-CD1 3.77Å; E42-I47 HydrophobicContact CG-CD1 3.84Å; E42-V50 HydrophobicContact CB-CG2 4.38Å; E42-V50 HydrophobicContact CG-CG1 4.29Å; E42-V50 HydrophobicContact CG-CG2 4.2Å
43G96.8Very high96.9Very high27 Ų2768.3 Ų68.328%0.27835%0.346SS..  trans94.8142.2-16900000112.6V39 D45 R46 I47V39-G43 CarbonylContact O-C 3.57Å; V39-G43 WeakPolarHBondContact O-CA 3.19Å; V39-G43 PolarHBondContact O-N 3.42Å; G43-D45 VanDerWaalsContact C-N 3.35Å; G43-D45 PolarHBondContact O-N 3.37Å; G43-R46 PolarHBondContact O-N 3.49Å; G43-R46 VanDerWaalsContact O-N 3.13Å; G43-I47 PolarHBondContact O-N 2.77Å
44A95.2Very high96.9Very high53 Ų5367.9 Ų67.944%0.43835%0.345SS..Hα-helixtrans-60.7-40.4-175.800000113V39 R46 I47V39-A44 HydrophobicContact CG1-CB 4.11Å; A44-R46 PolarHBondContact O-N 3.36Å; A44-I47 WeakPolarHBondContact O-CG2 3.29Å
45D96.1Very high96.8Very high163 Ų16369.9 Ų69.987%0.87235%0.353SS*.Hα-helixtrans-68.3-17.6179.3-45.5-97.7000113.4G43G43-D45 VanDerWaalsContact C-N 3.35Å; G43-D45 PolarHBondContact O-N 3.37Å
46R96.3Very high96.7Very high175 Ų17574.9 Ų74.966%0.6638%0.376SS*.Hα-helixtrans-104.4-24.5-176.7-66.2-177.2177.3175.50.3113.4E42 G43 A44 E48 F49 V50E42-R46 WeakPolarHBondContact O-CD 3.48Å; G43-R46 PolarHBondContact O-N 3.49Å; G43-R46 VanDerWaalsContact O-N 3.13Å; A44-R46 PolarHBondContact O-N 3.36Å; R46-E48 PolarHBondContact O-N 3.44Å; R46-E48 VanDerWaalsContact O-N 3.15Å; R46-F49 PolarHBondContact O-N 3.08Å; R46-V50 WeakPolarHBondContact O-CG2 3.27Å; R46-V50 PolarHBondContact O-N 2.84Å
47I97.4Very high96.4Very high0 Ų072.7 Ų72.70%038%0.375CS..Hα-helixtrans-58.2-35.2-169.2-156.974.4000112.6L16 F30 V34 C38 V39 E42 G43 A44 V50 I51L16-I47 HydrophobicContact CD1-CD1 3.41Å; L16-I47 VanDerWaalsContact CD1-CD1 3.41Å; L16-I47 HydrophobicContact CD1-CG1 3.92Å; F30-I47 HydrophobicContact CD1-CG2 3.48Å; F30-I47 VanDerWaalsContact CD1-CG2 3.48Å; F30-I47 HydrophobicContact CD2-CG2 3.84Å; F30-I47 HydrophobicContact CE1-CG2 3.33Å; F30-I47 HydrophobicContact CE2-CG2 3.71Å; F30-I47 HydrophobicContact CG-CG2 3.74Å; F30-I47 HydrophobicContact CZ-CG2 3.47Å; F30-I47 VanDerWaalsContact CZ-CG2 3.47Å; V34-I47 HydrophobicContact CG1-CD1 4.08Å; V34-I47 HydrophobicContact CG1-CG1 3.94Å; C38-I47 HydrophobicContact CB-CD1 4.23Å; V39-I47 HydrophobicContact CG2-CD1 4.35Å; V39-I47 HydrophobicContact CG2-CG1 4.03Å; E42-I47 HydrophobicContact CB-CD1 3.77Å; E42-I47 HydrophobicContact CG-CD1 3.84Å; G43-I47 PolarHBondContact O-N 2.77Å; A44-I47 WeakPolarHBondContact O-CG2 3.29Å; I47-V50 CarbonylContact O-C 3.58Å; I47-V50 PolarHBondContact O-N 3.06Å; I47-I51 HydrophobicContact CG1-CD1 4.41Å; I47-I51 WeakPolarHBondContact O-CB 3.49Å; I47-I51 WeakPolarHBondContact O-CG1 3.45Å; I47-I51 PolarHBondContact O-N 3.41Å
48E96.9Very high96Very high62 Ų6272.4 Ų72.429%0.2936%0.361SS..Hα-helixtrans-67.1-38.4178.5-165.859.5-114.500112.5F30 T31 R46 I51 E52F30-E48 VanDerWaalsContact CA-OE2 3.24Å; F30-E48 WeakPolarHBondContact CA-OE2 3.49Å; F30-E48 WeakPolarHBondContact CB-OE2 3.27Å; T31-E48 VanDerWaalsContact CB-OE1 3.26Å; T31-E48 WeakPolarHBondContact CB-OE1 3.34Å; T31-E48 WeakPolarHBondContact CG2-OE1 3.41Å; T31-E48 PolarHBondContact N-OE1 3.49Å; T31-E48 PolarHBondContact N-OE2 3.37Å; T31-E48 PolarHBondContact OG1-OE1 3.46Å; R46-E48 PolarHBondContact O-N 3.44Å; R46-E48 VanDerWaalsContact O-N 3.15Å; E48-I51 PolarHBondContact O-N 2.98Å; E48-E52 PolarHBondContact O-N 2.87Å
49F97.8Very high95.6Very high155 Ų15578.4 Ų78.468%0.6838%0.381SS*.Hα-helixtrans-68.5-37.6172.6179.9-95.1000111.6R46 I51 E52 T53R46-F49 PolarHBondContact O-N 3.08Å; F49-I51 VanDerWaalsContact C-N 3.34Å; F49-E52 PolarHBondContact O-N 3.18Å; F49-T53 WeakPolarHBondContact CE1-OG1 3.24Å; F49-T53 VanDerWaalsContact O-CB 3.29Å; F49-T53 WeakPolarHBondContact O-CB 3.44Å; F49-T53 PolarHBondContact O-N 2.82Å; F49-T53 PolarHBondContact O-OG1 3.17Å
50V97.4Very high95Very high35 Ų3581.9 Ų81.921%0.21241%0.411CS..Hα-helixtrans-66.2-37.3174.7179.10000111L16 E42 R46 I47 T53 A54L16-V50 HydrophobicContact CD1-CB 4.49Å; L16-V50 HydrophobicContact CD1-CG1 3.91Å; L16-V50 HydrophobicContact CD2-CG1 3.93Å; E42-V50 HydrophobicContact CB-CG2 4.38Å; E42-V50 HydrophobicContact CG-CG1 4.29Å; E42-V50 HydrophobicContact CG-CG2 4.2Å; R46-V50 WeakPolarHBondContact O-CG2 3.27Å; R46-V50 PolarHBondContact O-N 2.84Å; I47-V50 CarbonylContact O-C 3.58Å; I47-V50 PolarHBondContact O-N 3.06Å; V50-T53 PolarHBondContact O-N 2.98Å; V50-A54 VanDerWaalsContact O-CB 3.26Å; V50-A54 WeakPolarHBondContact O-CB 3.4Å; V50-A54 PolarHBondContact O-N 2.61Å
51I97.1Very high94.2Very high0 Ų082.8 Ų82.80%041%0.411CS..Hα-helixtrans-60.5-54.2172.7-73.3162.9000111.1Y15 L16 F30 E32 V34 I47 E48 F49 T53 A54 R55Y15-I51 HydrophobicContact CE1-CG2 4.47Å; L16-I51 HydrophobicContact CD1-CG1 4.22Å; L16-I51 HydrophobicContact CD2-CG1 4.26Å; L16-I51 HydrophobicContact CG-CG1 4.27Å; F30-I51 HydrophobicContact CB-CD1 3.69Å; F30-I51 HydrophobicContact CG-CD1 4.39Å; E32-I51 HydrophobicContact CB-CD1 4.42Å; E32-I51 HydrophobicContact CB-CG1 4.49Å; E32-I51 HydrophobicContact CB-CG2 3.87Å; E32-I51 HydrophobicContact CG-CG2 3.43Å; E32-I51 VanDerWaalsContact CG-CG2 3.43Å; V34-I51 HydrophobicContact CG2-CD1 3.67Å; V34-I51 HydrophobicContact CG2-CG1 3.87Å; I47-I51 HydrophobicContact CG1-CD1 4.41Å; I47-I51 WeakPolarHBondContact O-CB 3.49Å; I47-I51 WeakPolarHBondContact O-CG1 3.45Å; I47-I51 PolarHBondContact O-N 3.41Å; E48-I51 PolarHBondContact O-N 2.98Å; F49-I51 VanDerWaalsContact C-N 3.34Å; I51-T53 VanDerWaalsContact C-N 3.31Å; I51-T53 PolarHBondContact O-N 3.39Å; I51-A54 PolarHBondContact O-N 2.81Å; I51-R55 VanDerWaalsContact O-CB 3.32Å; I51-R55 WeakPolarHBondContact O-CB 3.48Å; I51-R55 PolarHBondContact O-N 3.36Å
52E96.6Very high92.9Very high59 Ų5976.1 Ų76.128%0.27640%0.4SS..Hα-helixtrans-68.7-29.8179.9-174.955.7-130.200112.4E48 F49 R55 Q56 R59E48-E52 PolarHBondContact O-N 2.87Å; F49-E52 PolarHBondContact O-N 3.18Å; E52-R55 PolarHBondContact O-N 2.79Å; E52-R55 WeakPolarHBondContact OE2-CD 3.41Å; E52-R55 IonicContact OE2-CZ 3.72Å; E52-R55 IonicContact OE2-NE 3.66Å; E52-R55 IonicContact OE2-NH1 2.73Å; E52-R55 PolarHBondContact OE2-NH1 2.86Å; E52-Q56 WeakPolarHBondContact O-CG 3.35Å; E52-Q56 PolarHBondContact O-N 2.9Å; E52-Q56 PolarHBondContact O-NE2 3.47Å; E52-Q56 VanDerWaalsContact O-NE2 3.12Å; E52-R59 IonicContact OE1-CZ 3.79Å; E52-R59 VanDerWaalsContact OE1-CZ 3.3Å; E52-R59 IonicContact OE1-NH1 3.31Å; E52-R59 PolarHBondContact OE1-NH1 2.77Å; E52-R59 IonicContact OE1-NH2 2.92Å; E52-R59 PolarHBondContact OE1-NH2 3.34Å; E52-R59 IonicContact OE2-NH2 3.62Å
53T96.2Very high90.7Very high48 Ų4878 Ų7829%0.29441%0.408SS..Hα-helixtrans-64.5-49171.5-59.20000110.6F49 V50 I51 R55 Q56 L57F49-T53 WeakPolarHBondContact CE1-OG1 3.24Å; F49-T53 VanDerWaalsContact O-CB 3.29Å; F49-T53 WeakPolarHBondContact O-CB 3.44Å; F49-T53 PolarHBondContact O-N 2.82Å; F49-T53 PolarHBondContact O-OG1 3.17Å; V50-T53 PolarHBondContact O-N 2.98Å; I51-T53 VanDerWaalsContact C-N 3.31Å; I51-T53 PolarHBondContact O-N 3.39Å; T53-R55 VanDerWaalsContact C-N 3.3Å; T53-R55 PolarHBondContact O-N 2.55Å; T53-Q56 WeakPolarHBondContact O-CB 3.41Å; T53-Q56 PolarHBondContact O-N 3.32Å; T53-L57 HydrophobicContact CG2-CD1 4.1Å; T53-L57 VanDerWaalsContact O-CD1 3.23Å; T53-L57 WeakPolarHBondContact O-CD1 2.91Å; T53-L57 PolarHBondContact O-N 2.92Å
54A95.9Very high88.7Confident27 Ų2784.5 Ų84.522%0.22343%0.431CS..Hα-helixtrans-59.9-40.4174.100000111.5Y15 L16 V50 I51 Q56 L57 K58Y15-A54 HydrophobicContact CE1-CB 4.13Å; L16-A54 HydrophobicContact CD2-CB 3.66Å; V50-A54 VanDerWaalsContact O-CB 3.26Å; V50-A54 WeakPolarHBondContact O-CB 3.4Å; V50-A54 PolarHBondContact O-N 2.61Å; I51-A54 PolarHBondContact O-N 2.81Å; A54-Q56 PolarHBondContact O-N 2.91Å; A54-L57 PolarHBondContact O-N 3.22Å; A54-K58 WeakPolarHBondContact O-CB 3.44Å; A54-K58 PolarHBondContact O-N 3.35Å
55R94.5Very high86.7Confident42 Ų4286.9 Ų86.916%0.15844%0.436CS..Hα-helixtrans-62.5-39175.9-162.5-175-77.5136-14.1111.6Y15 T31 E32 I51 E52 T53 K58 R59Y15-R55 WeakPolarHBondContact OH-CA 3.14Å; Y15-R55 WeakPolarHBondContact OH-CB 3.41Å; Y15-R55 WeakPolarHBondContact OH-CG 3.23Å; T31-R55 PolarHBondContact O-NH2 2.93Å; T31-R55 VanDerWaalsContact O-NH2 3.14Å; T31-R55 PolarHBondContact OG1-NH1 2.96Å; T31-R55 VanDerWaalsContact OG1-NH1 3.15Å; T31-R55 PolarHBondContact OG1-NH2 2.98Å; E32-R55 VanDerWaalsContact CD-NH2 3.35Å; E32-R55 VanDerWaalsContact CG-NH2 3.27Å; E32-R55 IonicContact OE1-CZ 3.89Å; E32-R55 VanDerWaalsContact OE1-CZ 3.31Å; E32-R55 IonicContact OE1-NE 2.7Å; E32-R55 PolarHBondContact OE1-NE 3.47Å; E32-R55 IonicContact OE1-NH2 3.3Å; E32-R55 PolarHBondContact OE1-NH2 2.81Å; I51-R55 VanDerWaalsContact O-CB 3.32Å; I51-R55 WeakPolarHBondContact O-CB 3.48Å; I51-R55 PolarHBondContact O-N 3.36Å; E52-R55 PolarHBondContact O-N 2.79Å; E52-R55 WeakPolarHBondContact OE2-CD 3.41Å; E52-R55 IonicContact OE2-CZ 3.72Å; E52-R55 IonicContact OE2-NE 3.66Å; E52-R55 IonicContact OE2-NH1 2.73Å; E52-R55 PolarHBondContact OE2-NH1 2.86Å; T53-R55 VanDerWaalsContact C-N 3.3Å; T53-R55 PolarHBondContact O-N 2.55Å; R55-K58 PolarHBondContact O-N 3.15Å; R55-R59 VanDerWaalsContact CD-NH2 3.26Å; R55-R59 VanDerWaalsContact O-CG 3.27Å; R55-R59 WeakPolarHBondContact O-CG 3.27Å; R55-R59 PolarHBondContact O-N 3.48Å; R55-R59 PolarHBondContact O-NH1 2.9Å
56Q94.9Very high84.6Confident104 Ų10482.9 Ų82.949%0.48643%0.433SS..Hα-helixtrans-64.9-47172.3-74.316986.300112.4E52 T53 A54 K58 R59 A60E52-Q56 WeakPolarHBondContact O-CG 3.35Å; E52-Q56 PolarHBondContact O-N 2.9Å; E52-Q56 PolarHBondContact O-NE2 3.47Å; E52-Q56 VanDerWaalsContact O-NE2 3.12Å; T53-Q56 WeakPolarHBondContact O-CB 3.41Å; T53-Q56 PolarHBondContact O-N 3.32Å; A54-Q56 PolarHBondContact O-N 2.91Å; Q56-K58 VanDerWaalsContact C-N 3.33Å; Q56-K58 PolarHBondContact O-N 3.31Å; Q56-R59 PolarHBondContact O-N 2.94Å; Q56-A60 WeakPolarHBondContact O-CB 3.1Å; Q56-A60 PolarHBondContact O-N 2.99Å
57L91.4Very high82.1Confident101 Ų10185.4 Ų85.453%0.52944%0.443SS..Hα-helixtrans-60.1-42.7174.5-88.872.3000111.6T53 A54 R59 A60 H61T53-L57 HydrophobicContact CG2-CD1 4.1Å; T53-L57 VanDerWaalsContact O-CD1 3.23Å; T53-L57 WeakPolarHBondContact O-CD1 2.91Å; T53-L57 PolarHBondContact O-N 2.92Å; A54-L57 PolarHBondContact O-N 3.22Å; L57-R59 PolarHBondContact O-N 3.38Å; L57-A60 PolarHBondContact O-N 3.26Å; L57-H61 WeakPolarHBondContact O-CB 3.49Å; L57-H61 PolarHBondContact O-CD2 3.28Å; L57-H61 PolarHBondContact O-N 2.86Å
58K89.1Confident79.1Confident37 Ų3790.4 Ų90.416%0.16148%0.478CS..Hα-helixtrans-67.1-34.9-178.2-158.9162.6-175.3177.70112D18 A54 R55 Q56 G62 F63 D65D18-K58 IonicContact OD1-NZ 3.94Å; A54-K58 WeakPolarHBondContact O-CB 3.44Å; A54-K58 PolarHBondContact O-N 3.35Å; R55-K58 PolarHBondContact O-N 3.15Å; Q56-K58 VanDerWaalsContact C-N 3.33Å; Q56-K58 PolarHBondContact O-N 3.31Å; K58-G62 PolarHBondContact O-N 3.46Å; K58-F63 HydrophobicContact CD-CD1 4.36Å; K58-F63 HydrophobicContact CG-CB 3.6Å; K58-F63 HydrophobicContact CG-CD1 4.27Å; K58-F63 HydrophobicContact CG-CG 4.01Å; K58-F63 PolarHBondContact O-N 3.07Å; K58-D65 WeakPolarHBondContact CE-OD2 3.49Å; K58-D65 IonicContact NZ-OD2 2.83Å; K58-D65 PolarHBondContact NZ-OD2 2.92Å
59R89.4Confident76.7Confident143 Ų14393.2 Ų93.254%0.5450%0.501SS..Hα-helixtrans-64.8-50.2166.4-69.7177.9-158.2108.2-15.1111.6E52 R55 Q56 L57 H61 G62E52-R59 IonicContact OE1-CZ 3.79Å; E52-R59 VanDerWaalsContact OE1-CZ 3.3Å; E52-R59 IonicContact OE1-NH1 3.31Å; E52-R59 PolarHBondContact OE1-NH1 2.77Å; E52-R59 IonicContact OE1-NH2 2.92Å; E52-R59 PolarHBondContact OE1-NH2 3.34Å; E52-R59 IonicContact OE2-NH2 3.62Å; R55-R59 VanDerWaalsContact CD-NH2 3.26Å; R55-R59 VanDerWaalsContact O-CG 3.27Å; R55-R59 WeakPolarHBondContact O-CG 3.27Å; R55-R59 PolarHBondContact O-N 3.48Å; R55-R59 PolarHBondContact O-NH1 2.9Å; Q56-R59 PolarHBondContact O-N 2.94Å; L57-R59 PolarHBondContact O-N 3.38Å; R59-H61 PolarHBondContact O-N 2.82Å; R59-G62 PolarHBondContact O-N 3.4Å; R59-G62 VanDerWaalsContact O-N 3.12Å
60A84.4Confident73.6Confident86 Ų8688.6 Ų88.671%0.71150%0.498SS*.Hα-helixtrans-64.8-34.6-175.600000113.6Q56 L57 G62Q56-A60 WeakPolarHBondContact O-CB 3.1Å; Q56-A60 PolarHBondContact O-N 2.99Å; L57-A60 PolarHBondContact O-N 3.26Å; A60-G62 VanDerWaalsContact C-N 3.33Å
61H79.9Confident70.8Confident158 Ų15893.3 Ų93.373%0.73153%0.529SS*.THydrogen-bonded Turntrans-86.64.7175.2-79-84.6000114.3L57 R59 F63L57-H61 WeakPolarHBondContact O-CB 3.49Å; L57-H61 PolarHBondContact O-CD2 3.28Å; L57-H61 PolarHBondContact O-N 2.86Å; R59-H61 PolarHBondContact O-N 2.82Å; H61-F63 VanDerWaalsContact C-N 3.32Å; H61-F63 PolarHBondContact O-N 2.87Å
62G70.3Confident67.8Low52 Ų5296.6 Ų96.654%0.53656%0.563SS.*THydrogen-bonded Turntrans62.932.2173.200000114.7K58 R59 A60 Q64K58-G62 PolarHBondContact O-N 3.46Å; R59-G62 PolarHBondContact O-N 3.4Å; R59-G62 VanDerWaalsContact O-N 3.12Å; A60-G62 VanDerWaalsContact C-N 3.33Å; G62-Q64 PolarHBondContact O-N 3.09Å
63F52.1Low64.7Low110 Ų110102.7 Ų102.748%0.48259%0.589SS.*  trans-68.1103.5-170.5-164.6-82.7000112K58 H61 D65K58-F63 HydrophobicContact CD-CD1 4.36Å; K58-F63 HydrophobicContact CG-CB 3.6Å; K58-F63 HydrophobicContact CG-CD1 4.27Å; K58-F63 HydrophobicContact CG-CG 4.01Å; K58-F63 PolarHBondContact O-N 3.07Å; H61-F63 VanDerWaalsContact C-N 3.32Å; H61-F63 PolarHBondContact O-N 2.87Å; F63-D65 WeakPolarHBondContact CD1-OD2 3.41Å; F63-D65 WeakPolarHBondContact CE1-OD2 3.23Å; F63-D65 PolarHBondContact O-N 2.82Å
64Q54.7Low62.1Low165 Ų165106.3 Ų106.377%0.77161%0.613SS**  trans-82.194.4177-73.6-68.3-40.800110.9G62 G66G62-Q64 PolarHBondContact O-N 3.09Å; Q64-G66 VanDerWaalsContact C-N 3.35Å; Q64-G66 PolarHBondContact O-N 3.06Å
65D51.5Low59.2Low102 Ų102113.2 Ų113.255%0.54564%0.641SS.*  trans-67.385.6174.4-102.7-57.5000112.3K58 F63 R67K58-D65 WeakPolarHBondContact CE-OD2 3.49Å; K58-D65 IonicContact NZ-OD2 2.83Å; K58-D65 PolarHBondContact NZ-OD2 2.92Å; F63-D65 WeakPolarHBondContact CD1-OD2 3.41Å; F63-D65 WeakPolarHBondContact CE1-OD2 3.23Å; F63-D65 PolarHBondContact O-N 2.82Å; D65-R67 PolarHBondContact O-N 3.32Å
66G53.4Low56.4Low79 Ų79118.7 Ų118.781%0.81467%0.668SS**SBendtrans66.3-0.714600000119.3Q64Q64-G66 VanDerWaalsContact C-N 3.35Å; Q64-G66 PolarHBondContact O-N 3.06Å
67R44Very low53.4Low229 Ų229119.1 Ų119.186%0.86468%0.682SS**  trans-104.690.7177.4-159.8172.2-164.8174.14110.9D65D65-R67 PolarHBondContact O-N 3.32Å
68S33Very low50.4Low104 Ų104117.3 Ų117.373%0.72769%0.688SS**PPolyproline II helixtrans-48.9131.4179.5-52.40000112.2G70S68-G70 PolarHBondContact O-N 3.5Å
69P46.4Very low47.6Very low121 Ų121125.1 Ų125.179%0.78672%0.722SS**PPolyproline II helixtrans-55.1121.5154.1-19.131.9000107.6
70G32.8Very low44.9Very low59 Ų59126.9 Ų126.961%0.60874%0.737SS**PPolyproline II helixtrans-61.5153.5174.100000110.5S68 G72S68-G70 PolarHBondContact O-N 3.5Å; G70-G72 VanDerWaalsContact C-N 3.28Å; G70-G72 PolarHBondContact O-N 3.25Å
71P38.8Very low42.7Very low133 Ų133130.4 Ų130.486%0.86474%0.742SS**  trans-69.783.5-177.329.1-35.5000111.5K73P71-K73 PolarHBondContact O-N 3.23Å
72G33.9Very low40.7Very low70 Ų70131.8 Ų131.872%0.72275%0.748SS**  trans-64.999.9168.500000109.5G70 P74G70-G72 VanDerWaalsContact C-N 3.28Å; G70-G72 PolarHBondContact O-N 3.25Å; G72-P74 WeakPolarHBondContact O-CD 3.32Å
73K32Very low38.8Very low187 Ų187134.2 Ų134.281%0.81376%0.758SS**  trans-62.9126.6177-67.8-177.3177.8-178.10109.9P71 Q75P71-K73 PolarHBondContact O-N 3.23Å; K73-Q75 PolarHBondContact O-N 3.03Å
74P40.8Very low37.9Very low124 Ų124136.6 Ų136.681%0.80577%0.77SS**  trans-72.1109.4165.129.6-31.3000108.3G72G72-P74 WeakPolarHBondContact O-CD 3.32Å
75Q35.9Very low36.6Very low172 Ų172134.5 Ų134.580%0.80476%0.764SS**  trans-94.4103.8178.5-170.4168.3-56.500110.5K73K73-Q75 PolarHBondContact O-N 3.03Å
76H36Very low35.6Very low157 Ų157137.5 Ų137.573%0.72777%0.774SS**  trans31.9115.6154.2-63.4-79.4000118.5
77S31.2Very low34.4Very low112 Ų112138.7 Ų138.778%0.78377%0.77SS**  cis63.2130.946.594.30000115.4
78G29.7Very low33.8Very low64 Ų64133.1 Ų133.166%0.6677%0.773SS**  trans105.991162.300000117.3
79K30.1Very low33.7Very low201 Ų201132.3 Ų132.387%0.87478%0.781SS**  trans-17681.7130.5-102.5165.2-174.7177.10112.2
80E32.7Very low32.8Very low180 Ų180133.9 Ų133.984%0.84178%0.783SS**  trans-76.7134.7144.858.9-124.186.500109.6
81I37.4Very low33.5Very low160 Ų160136.5 Ų136.582%0.82179%0.789SS**  trans-160141.9162.1-106156000107.4
82Q37.3Very low33Very low186 Ų186133.4 Ų133.487%0.86978%0.781SS**  trans-106.7124.8-165.4-178.4-176.728.500111.4
83S31.5Very low32.9Very low104 Ų104136.2 Ų136.273%0.72779%0.79SS**  trans-151.199.417063.40000114.3
84H32.2Very low32.9Very low159 Ų159138.8 Ų138.874%0.73679%0.794SS**  trans32.8116.1141.5-64.592.8000122
85N28.4Very low32.9Very low121 Ų121138.1 Ų138.165%0.64779%0.79SS**  73.4142.6128.6-66-3.6000123.4
86H29.9Very low33.3Very low166 Ų166134.9 Ų134.977%0.76978%0.784SS**  trans71.5145.4159.3-50.9-47.4000117.9
87S28.5Very low33.3Very low103 Ų103135.7 Ų135.772%0.7279%0.788SS**  cis-168.4150.9-19-96.30000110.6
88A30.6Very low33.8Very low112 Ų112135.3 Ų135.393%0.92678%0.783SS**  trans61.4137.8159.700000120.5
89G30.8Very low33.9Very low87 Ų87140.4 Ų140.490%0.89779%0.794SS**  trans155.366.717100000117.1
90D29.1Very low34.1Very low155 Ų155137 Ų13783%0.82979%0.786SS**  trans-120.7161.3170.3-174.4-119.8000107.4
91P46.9Very low34.2Very low113 Ų113139 Ų13973%0.73479%0.785SS**  cis-129.4176.32.51412.7000117.1
92G29.2Very low33.8Very low68 Ų68141.2 Ų141.270%0.70179%0.785SS**  trans109.1142.1149.900000116
93S30.9Very low34.1Very low129 Ų129136.9 Ų136.990%0.90277%0.773SS**  cis-145.6174.811.1-76.90000113.8
94R32.5Very low34.3Very low242 Ų242138.8 Ų138.891%0.91377%0.774SS**  trans-70.1173.5-174.9-101.9-157.4151.6-167.1-4115.2
95P39.3Very low34.2Very low109 Ų109135.3 Ų135.371%0.70877%0.767SS**  trans-116.4-128-15430.5-6.7000113.6
96P44.9Very low34.3Very low104 Ų104136.6 Ų136.668%0.67578%0.775SS**  -124.1165.7-86.333.3-17.8000116.2
97Q35.6Very low34.6Very low175 Ų175138.8 Ų138.882%0.81878%0.776SS**  trans63.7-177.7151.3-71.6-75.815.900116.4
98P42.3Very low35.6Very low103 Ų103138 Ų13867%0.66977%0.768SS**  cis-124.7166.1-41.931.5-17.3000112.8
99L32.1Very low36.5Very low172 Ų172138.1 Ų138.190%0.90176%0.76SS**  trans-15799.2150.8-151.284.5000114.1
100D33.5Very low36.8Very low130 Ų130143.9 Ų143.970%0.69575%0.754SS**SBend-160.1179.5119.7-138.3-43.6000110.5
101R36.2Very low37.1Very low222 Ų222144.4 Ų144.484%0.83876%0.756SS**  trans-69.4139.6-156-73.6162.5175.677.4-2117.7
102Y27.6Very low36.5Very low205 Ų205141.7 Ų141.780%0.80475%0.748SS**  trans-91.7179.1158.1-152.7-129.4000109.2
103P44.8Very low37.2Very low95 Ų95144.2 Ų144.262%0.61775%0.752SS**  cis-110-158.7-14.837.5-20000111
104L35.5Very low37.3Very low145 Ų145146.3 Ų146.376%0.75975%0.748SS**  cis-129.2-175.1-1.6-86.3177.2000107.6
105S30.4Very low37.1Very low85 Ų85145.8 Ų145.859%0.59475%0.748SS**  cis77.7138.725.7-38.10000115.4
106D29.1Very low36.9Very low149 Ų149148.5 Ų148.580%0.79775%0.751SS**  cis-139.5155.333.5-165.6-101.2000117
107R36.1Very low36.9Very low212 Ų212149.3 Ų149.380%0.876%0.756SS**  trans-163.6149.4165.6-148.3-1421611563.3108
108P50.1Low36.6Very low85 Ų85144.5 Ų144.555%0.55275%0.754SS**  -136.4-68.18424.4-2.8000114.5
109P48.9Very low36.2Very low116 Ų116150.9 Ų150.975%0.75376%0.764SS**  -59.9-170-73.937.5-36.7000113.6
110R38.2Very low36.3Very low208 Ų208150.7 Ų150.779%0.78576%0.759SS**  trans-159.2140.5-171-146.8-76.1-165.8-149.53.8111.7
111L35Very low36.1Very low166 Ų166150.7 Ų150.787%0.86976%0.763SS**  trans-153.7174.3151.2-80.3-166.2000110.3
112G34.1Very low36.4Very low55 Ų55148.1 Ų148.157%0.56777%0.766SS**  trans-129.1-156.7175.600000110.9
113P43.9Very low36.7Very low121 Ų121141.6 Ų141.679%0.78676%0.761SS**  cis-134.9-16411.642.8-23.9000115.1
114E34.3Very low37Very low173 Ų173144.3 Ų144.381%0.80877%0.769SS**  trans-62.8147.8-179.1-64.584.993.200117.9
115Y28.1Very low37.3Very low232 Ų232143.5 Ų143.591%0.9177%0.773SS**  -155.8179.5125.6-145.9-108.2000113.3
116Q34.6Very low38.3Very low166 Ų166145 Ų14578%0.77678%0.778SS**  trans-88.2177.4-166.1-113.6-151.1-20.100115.8
117P44.1Very low39.2Very low121 Ų121144 Ų14479%0.78678%0.78SS**  trans-84156.8-156.134.5-39.1000116.4
118G30.1Very low39.2Very low74 Ų74141.4 Ų141.476%0.76378%0.782SS**  trans-136162.417100000113.1
119R34.7Very low38.4Very low236 Ų236140.5 Ų140.589%0.89179%0.788SS**  trans-92.1-152.2168.4-65-170178.1-83.25.8110.2
120Q32.2Very low37.8Very low168 Ų168144 Ų14479%0.78579%0.791SS**  trans78.8112.8-171.3-39.1-41.3200111.5
121V31.3Very low38.1Very low131 Ų131139.7 Ų139.779%0.79479%0.79SS**  92.4140.167.7153.40000111.4
122N41Very low38.5Very low167 Ų167139 Ų13989%0.89378%0.78SS**  trans-54.6135-170.5-61.920.2000113.6
123G34.6Very low38.9Very low68 Ų68141.8 Ų141.870%0.70179%0.789SS**  trans-167103.8168.400000112.1
124I50.5Low38.3Very low152 Ų152143.4 Ų143.478%0.77979%0.791SS**  trans-109.5123.6169.1-58.3-71.5000108.1V126I124-V126 HydrophobicContact CG2-CG2 3.52Å
125P41.6Very low38.9Very low129 Ų129141 Ų14184%0.83878%0.783SS**  trans-91.4118.1163-0.220000110.2
126V51.2Low39.6Very low117 Ų117135.3 Ų135.371%0.70978%0.775SS**  trans-123.3138.6166.2-160.50000108.6I124I124-V126 HydrophobicContact CG2-CG2 3.52Å
127P47.9Very low40.2Very low128 Ų128133.2 Ų133.283%0.83178%0.775SS**  trans-61.6154.2170.9-24.135.8000113.3
128N37.8Very low40.2Very low157 Ų157135 Ų13584%0.8477%0.774SS**  trans-98.1150.8-161-172.142.9000114.3
129G33Very low40.8Very low66 Ų66139.6 Ų139.668%0.6878%0.779SS**  trans-158.69.8-165.200000122.7
130F34.8Very low41Very low189 Ų189134.4 Ų134.483%0.82977%0.769SS**  trans64.3161.6172.6-90.8-106.3000118
131P45.8Very low41.9Very low117 Ų117136.5 Ų136.576%0.7677%0.77SS**  -119.7171.5-58.537-22.4000112.7
132K43.6Very low42.1Very low151 Ų151138.3 Ų138.366%0.65777%0.77SS**  trans-116.9148.8-175.9177.1178.3179.3178.20113.1D135K132-D135 IonicContact NZ-OD2 2.61Å; K132-D135 PolarHBondContact NZ-OD2 3.14Å
133P41.7Very low41.9Very low115 Ų115136 Ų13675%0.74777%0.767SS**  trans-122.6148.1148.736.5-25.9000113.6
134D32.5Very low42.3Very low155 Ų155139 Ų13983%0.82977%0.774SS**  trans54.1140.5164.8-95.4-133.9000122.6
135D45.3Very low41.4Very low121 Ų121138.9 Ų138.965%0.64778%0.775SS**  trans-147123.8170-113.6-43.5000108.2K132K132-D135 IonicContact NZ-OD2 2.61Å; K132-D135 PolarHBondContact NZ-OD2 3.14Å
136P43.1Very low41.5Very low113 Ų113138.4 Ų138.473%0.73477%0.772SS**PPolyproline II helixtrans-80.7154.1166.433-32000111.2
137P47.8Very low40.7Very low122 Ų122143.7 Ų143.779%0.79278%0.779SS**PPolyproline II helixtrans-74.5149.8-163.628.7-36.4000115.6L139P137-L139 PolarHBondContact O-N 3.19Å
138E43.7Very low40.4Very low160 Ų160148.8 Ų148.875%0.74878%0.782SS**PPolyproline II helixtrans-59119.5173-80.9-168.8103.600112.1R141E138-R141 IonicContact OE1-CZ 2.74Å; E138-R141 IonicContact OE1-NH1 3.03Å; E138-R141 PolarHBondContact OE1-NH1 3.02Å
139L42.6Very low40.1Very low169 Ų169148.3 Ų148.389%0.88579%0.785SS**  trans-101.897.2164.6-79.3176.4000111.6P137P137-L139 PolarHBondContact O-N 3.19Å
140N40.3Very low40.3Very low127 Ų127150.6 Ų150.668%0.67979%0.79SS**  trans48.198.9147.1-1647.4000118.5Q142N140-Q142 PolarHBondContact O-N 2.8Å
141R50Low40.2Very low213 Ų213148 Ų14880%0.80479%0.79SS**  trans-67.6102.8167.7-72.3176.3165.479.4-0.7112.1E138E138-R141 IonicContact OE1-CZ 2.74Å; E138-R141 IonicContact OE1-NH1 3.03Å; E138-R141 PolarHBondContact OE1-NH1 3.02Å
142Q35.3Very low40.1Very low169 Ų169148.2 Ų148.279%0.7979%0.789SS**  trans-137.9124154.2-68.3-163.66.400111.9N140N140-Q142 PolarHBondContact O-N 2.8Å
143S37.5Very low39.8Very low119 Ų119146.5 Ų146.583%0.83279%0.793SS**  trans-111.5127.1179.3-550000110.9
144P41.7Very low40Very low131 Ų131146.6 Ų146.685%0.85179%0.794SS**  trans-73.7128172.1-17.231.9000112.1
145N32.9Very low40Very low148 Ų148146.2 Ų146.279%0.79179%0.792SS**  trans-98.9121.3176.6-177.90.5000110.6R147N145-R147 PolarHBondContact O-N 3.39Å
146P42.4Very low39.8Very low119 Ų119148.6 Ų148.677%0.77380%0.804SS**  trans-87.9100.6-172.433-34.4000113.7
147R36Very low39.8Very low228 Ų228149.2 Ų149.286%0.8681%0.805SS**  trans-138.8124158.7-79.9-163.4174.8-124-3.7114.2N145N145-R147 PolarHBondContact O-N 3.39Å
148R41.1Very low40Very low235 Ų235148.5 Ų148.589%0.88780%0.8SS**  trans15.4119.1151-73.7175.6145.4-107.9-0.9118.6
149T30.7Very low39.5Very low148 Ų148148.3 Ų148.391%0.90880%0.804SS**  -151.3161.5110.610.90000110.5
150S37.7Very low39.1Very low114 Ų114146.1 Ų146.180%0.79780%0.797SS**  trans-120.2132.9175.21770000109
151T33.6Very low38.7Very low134 Ų134147.7 Ų147.782%0.82281%0.805SS**  trans-147.7149.8172.9-13.90000110
152V42.1Very low37.8Very low122 Ų122140.9 Ų140.974%0.73980%0.801SS**PPolyproline II helixtrans-100.5146.2-166.3-178.30000110.4
153P39Very low37.4Very low115 Ų115140 Ų14075%0.74780%0.802SS**PPolyproline II helixtrans-64.1142.8172.826.8-36000112.3
154P45.4Very low37.3Very low117 Ų117142.3 Ų142.376%0.7680%0.802SS**PPolyproline II helixtrans-84.1125.4-171.431.3-34.6000114.9
155N31.5Very low36.9Very low146 Ų146139.4 Ų139.478%0.78180%0.796SS**  trans50.6117.9147.9-73.6-59.7000122.1
156L41.9Very low37.5Very low172 Ų172138.8 Ų138.890%0.90180%0.8SS**  trans-116.1130.3143.3-71.8171.4000108.5
157V42.5Very low37.2Very low126 Ų126138.5 Ų138.576%0.76480%0.796SS**  trans-175.8161.9163.3-93.70000109.3
158P52.5Low37Very low106 Ų106135.6 Ų135.669%0.68879%0.792SS**  cis-139.2163.7-39.437.9-22.5000113.5
159L34Very low36.5Very low157 Ų157129.6 Ų129.682%0.82278%0.781SS**  trans-179.4136.4130.8-124.166.1000117.3
160V32.8Very low36.7Very low122 Ų122130.7 Ų130.774%0.73978%0.781SS**  trans40.2102.1141.2800000124.7
161N32.3Very low36.3Very low160 Ų160132.7 Ų132.786%0.85678%0.783SS**  42125.8118.3-159.572.3000124.9
162G30.2Very low36Very low70 Ų70129.8 Ų129.872%0.72278%0.779SS**  trans90.5162.4154.400000117.3
163N28Very low35.6Very low151 Ų151135.1 Ų135.181%0.80779%0.786SS**  cis-158.5176.4-14.5-170.928.9000110.5
164M35.2Very low36.1Very low167 Ų167134.5 Ų134.582%0.82378%0.782SS**  trans-75.1161.2-168.269.1-166.717500120
165G33.7Very low35.3Very low71 Ų71133 Ų13373%0.73278%0.779SS**  trans114.8158.8152.800000116.6
166P46.1Very low35.4Very low134 Ų134133.8 Ų133.887%0.8778%0.778SS**  cis-123.4-163.26.243.2-28.6000115.1
167V35.6Very low34.9Very low113 Ų113134.1 Ų134.169%0.68578%0.777SS**  trans-114.4160.9-172.7173.90000111.3T169V167-T169 HydrophobicContact CG1-CG2 4.39Å
168H31.5Very low34.1Very low168 Ų168131.3 Ų131.378%0.77877%0.774SS**  trans158.2104.1138.5-86.2-64.5000111.6
169T31.4Very low33.3Very low109 Ų109134.4 Ų134.467%0.66978%0.781SS**  69.2119.681.262.50000116.9V167V167-T169 HydrophobicContact CG1-CG2 4.39Å
170L33.8Very low33.7Very low171 Ų171132.4 Ų132.490%0.89578%0.777SS**  trans-179.8148.2142.1-92.7176.5000106.5
171N30.4Very low33.4Very low156 Ų156130.3 Ų130.383%0.83478%0.781SS**  cis168127.2-30.7173.145.3000105
172G26.4Very low33.3Very low72 Ų72127.2 Ų127.274%0.74278%0.777SS**  trans159.1124.4176.900000117.1
173R33.2Very low33.5Very low234 Ų234131.6 Ų131.688%0.88378%0.783SS**  trans-168.4179.2178.8-130.4-168.6149-152.9-4.7107
174P50.5Low33.5Very low102 Ų102132.3 Ų132.366%0.66279%0.787SS**  cis-137.1176.9-16.142.1-25.9000115.6
175A28.3Very low33.3Very low86 Ų86130.5 Ų130.571%0.71179%0.785SS**  trans-146.3126.4140.500000106.2
176Q32.6Very low33.6Very low163 Ų163132.9 Ų132.976%0.76279%0.788SS**  56.8127.474-65.6-69.59.100112.3
177M31.5Very low32.7Very low178 Ų178130.3 Ų130.388%0.87779%0.786SS**  cis-146.3152.531.1-159.7170.1-151.800114.2
178G26.9Very low32.5Very low67 Ų67134.5 Ų134.569%0.69180%0.798SS**  trans177.4124171.900000111.8
179M34.8Very low32.4Very low171 Ų171130.3 Ų130.384%0.84280%0.8SS**  trans-96.8156.8-167.5-78.2-68.2-77.900114.2
180P42.1Very low32.4Very low115 Ų115131.8 Ų131.875%0.74780%0.804SS**  trans-98172.6-171.439.7-36.8000113.9
181G27Very low32.3Very low79 Ų79132.1 Ų132.181%0.81480%0.801SS**  trans-160118.7163.800000111.5
182A30.8Very low32.2Very low94 Ų94127.9 Ų127.978%0.77779%0.794SS**  trans-145.8127.4176.400000111.1
183L33.3Very low32.5Very low162 Ų162134.9 Ų134.985%0.84880%0.804SS**  trans52.6116.5158.3-53.6177.1000119
184N27.8Very low32.3Very low167 Ų167135.6 Ų135.689%0.89381%0.806SS**  -156.7159.8114.6-111.6-0.1000113.3
185V31.9Very low31.3Very low129 Ų129133.9 Ų133.978%0.78281%0.807SS**  trans-111.5157.6-175.81530000107.5
186P38.8Very low31.5Very low120 Ų120138.5 Ų138.578%0.77981%0.814SS**  cis-128.3169.520.528.3-6.2000117.2
187G28.3Very low31.6Very low81 Ų81136.8 Ų136.884%0.83581%0.81SS**  trans-94.2130.7157.900000111.3
188Q32.3Very low31.7Very low200 Ų200136 Ų13694%0.93581%0.806SS**  trans-89.2132.8168177.4-179.9-10.700109
189G28.4Very low32Very low80 Ų80141.8 Ų141.883%0.82581%0.813SS**  trans-141.9117.4176.300000111.4
190D30.8Very low31.8Very low140 Ų140139.9 Ų139.975%0.74981%0.806SS**  trans-134.9169.9172.4-174-135.6000110.5G192D190-G192 PolarHBondContact O-N 3.48Å
191H31.5Very low31.5Very low179 Ų179144.6 Ų144.683%0.82982%0.815SS**  trans-67.3121.9-165.5-71.4-91.6000116.8
192G28.7Very low31.9Very low67 Ų67148.4 Ų148.469%0.69181%0.811SS**  102.4167.398.500000122.1D190D190-G192 PolarHBondContact O-N 3.48Å
193K32.5Very low32Very low219 Ų219154.9 Ų154.995%0.95282%0.815SS**  trans83.5140160.5-62.3-176.1180176.70121
194R30Very low32.5Very low248 Ų248151.8 Ų151.894%0.93681%0.805SS**  trans-65.3163.2-176.7-66.9179.4-89.1-158.9-6.3116.1
195G29.7Very low32.4Very low66 Ų66151.3 Ų151.368%0.6880%0.802SS**  trans147.297.4159.200000109.4
196E31Very low32.5Very low184 Ų184149.8 Ų149.886%0.8680%0.798SS**  78137.973.7-80.1-179.5110.300115.6
197D34.8Very low32.5Very low127 Ų127153.2 Ų153.268%0.67981%0.806SS**  trans59.1111.6169.9-91-118.1000124.3
198M34Very low32.9Very low160 Ų160154.6 Ų154.679%0.78880%0.802SS**  60.6114.9110.6-16185.271.600119.5
199K33.8Very low33.2Very low190 Ų190151.8 Ų151.883%0.82679%0.794SS**  168.1120.5104.4-173.2161-174.4169.20114.8
200D30.8Very low33.8Very low131 Ų131155.2 Ų155.270%0.70179%0.79SS**  trans32.1118.4144.5-153.7-66.5000121.2
201K36.2Very low34.4Very low214 Ų214152.5 Ų152.593%0.9378%0.782SS**  trans-156.5138.1136.4-111.9160.2-171.61720111.3
202H34Very low34.7Very low159 Ų159150.9 Ų150.974%0.73678%0.775SS**  trans-127.3119.7-159.7170.1-81.6000113.7
203R33.9Very low35.2Very low229 Ų229151.8 Ų151.886%0.86477%0.771SS**  trans-166.8160.7141.8-107.3-153.8141.376.32.3112.4
204P42.5Very low35.8Very low98 Ų98148 Ų14864%0.63676%0.756SS**  trans-113.1171.3-160.243.1-36.7000115.1
205D26.8Very low36.3Very low156 Ų156143.6 Ų143.683%0.83474%0.744SS**  -160.4-176.2115.7-147.4-93.1000111.3
206S34.3Very low36.9Very low98 Ų98149.5 Ų149.569%0.68575%0.745SS**  trans67.171.4168.8-153.20000118.7
207M38.6Very low37.3Very low192 Ų192142.2 Ų142.295%0.94672%0.717SS**  trans-117.482.2150.1-89.8-151-68.900110.2
208S37.3Very low37.4Very low109 Ų109143.2 Ų143.276%0.76272%0.717SS**  trans-145.469.8-178.5-68.80000112.5
209D37.6Very low37.6Very low142 Ų142144.1 Ų144.176%0.75972%0.72SS**SBendtrans-146.9-40169.7-158-112.4000113.3S211 E212D209-S211 PolarHBondContact O-N 3Å; D209-E212 PolarHBondContact O-N 2.98Å
210M40.8Very low38Very low152 Ų152144.6 Ų144.675%0.74972%0.716SS**THydrogen-bonded Turntrans-62.7-1.9178.7-92-107.259.100116.5
211S44.1Very low38.7Very low83 Ų83145.6 Ų145.658%0.5872%0.719SS**THydrogen-bonded Turntrans-86.8-26.4-178.7-164.10000113.6D209D209-S211 PolarHBondContact O-N 3Å
212E37.3Very low39.3Very low144 Ų144137.5 Ų137.567%0.67370%0.696SS**Hα-helixtrans-80.3-41.4-173.4-171.1134.8118.300112.7D209 H214 K215 R216D209-E212 PolarHBondContact O-N 2.98Å; E212-H214 PolarHBondContact O-N 3.49Å; E212-K215 PolarHBondContact O-N 2.73Å; E212-R216 PolarHBondContact O-N 3.02Å
213S39.3Very low39.6Very low87 Ų87139.3 Ų139.361%0.60870%0.702SS**Hα-helixtrans-62.1-29.9177.9-56.30000113.4
214H45Very low40.2Very low139 Ų139132.2 Ų132.264%0.64470%0.7SS**Hα-helixtrans-78.7-35.4-178-137.7-134.4000112.5E212 R216 A217E212-H214 PolarHBondContact O-N 3.49Å; H214-R216 VanDerWaalsContact C-N 3.26Å; H214-R216 PolarHBondContact O-N 3.5Å; H214-A217 WeakPolarHBondContact O-CB 3.33Å; H214-A217 PolarHBondContact O-N 3.44Å
215K39.8Very low40.5Very low156 Ų156135.2 Ų135.268%0.67870%0.703SS**Hα-helixtrans-61.9-34.5173.4-74.2-175.6177175.30112.7E212 A217E212-K215 PolarHBondContact O-N 2.73Å; K215-A217 PolarHBondContact O-N 3.07Å
216R43.1Very low42.2Very low189 Ų189132.5 Ų132.571%0.71369%0.692SS**Hα-helixtrans-72.8-6.9176.1-138.3-173.3-145.697.90.6113.4E212 H214 W220E212-R216 PolarHBondContact O-N 3.02Å; H214-R216 VanDerWaalsContact C-N 3.26Å; H214-R216 PolarHBondContact O-N 3.5Å; R216-W220 VanDerWaalsContact O-CD1 3.31Å; R216-W220 PolarHBondContact O-NE1 3.06Å
217A39.9Very low42.8Very low31 Ų31132.9 Ų132.926%0.25669%0.69SS.*Hα-helixtrans-93.5-29.6-175.800000114.4H214 K215 W220H214-A217 WeakPolarHBondContact O-CB 3.33Å; H214-A217 PolarHBondContact O-N 3.44Å; K215-A217 PolarHBondContact O-N 3.07Å; A217-W220 PolarHBondContact O-NE1 2.76Å
218E36.6Very low43.4Very low148 Ų148134 Ų13469%0.69268%0.684SS**Hα-helixtrans-83.3-29-177.7-71.9-165.594.200114.2W220 M221E218-W220 PolarHBondContact O-N 2.91Å; E218-W220 VanDerWaalsContact O-N 3.13Å; E218-M221 PolarHBondContact O-N 2.97Å; E218-M221 VanDerWaalsContact O-N 3.14Å
219E37.9Very low44Very low179 Ų179132.9 Ų132.984%0.83667%0.669SS**THydrogen-bonded Turntrans-62.5-28.4-167.7-164.7173.2108.900113.9
220W42.2Very low44.8Very low201 Ų201131.6 Ų131.676%0.76166%0.662SS**THydrogen-bonded Turntrans-86.2-6.8-178.435-68.2000114.7R216 A217 E218R216-W220 VanDerWaalsContact O-CD1 3.31Å; R216-W220 PolarHBondContact O-NE1 3.06Å; A217-W220 PolarHBondContact O-NE1 2.76Å; E218-W220 PolarHBondContact O-N 2.91Å; E218-W220 VanDerWaalsContact O-N 3.13Å
221M45.6Very low45.4Very low152 Ų152130.9 Ų130.975%0.74966%0.658SS**THydrogen-bonded Turntrans-106.8-2.5178.5-64.2-166.8-71.200113.9E218E218-M221 PolarHBondContact O-N 2.97Å; E218-M221 VanDerWaalsContact O-N 3.14Å
222G49.6Very low45.8Very low44 Ų44130.3 Ų130.345%0.45466%0.659SS.*SBendtrans-124.555.4-160.300000118.2
223K39Very low46.3Very low196 Ų196130.3 Ų130.385%0.85266%0.662SS**  trans179.7108.8147.5-95.3138.2-155160.30113.7K225K223-K225 PolarHBondContact O-N 3.24Å
224G46.8Very low46.6Very low80 Ų80134.5 Ų134.583%0.82567%0.672SS**PPolyproline II helixtrans-72.9116.1161.800000110.8T226G224-T226 PolarHBondContact O-N 3.2Å
225K49Very low46.6Very low161 Ų161132.5 Ų132.570%0.767%0.67SS**PPolyproline II helixtrans-80.8116.4-178.6-61.1-177.2-176.4-177.30110.4K223K223-K225 PolarHBondContact O-N 3.24Å
226T62.1Low46.6Very low100 Ų100134 Ų13461%0.61368%0.676SS**PPolyproline II helixtrans-74.9151176.471.70000111G224 R228 D229G224-T226 PolarHBondContact O-N 3.2Å; T226-R228 PolarHBondContact O-N 3.43Å; T226-D229 WeakPolarHBondContact O-CB 3.33Å; T226-D229 PolarHBondContact O-N 3.24Å
227V47.3Very low46.1Very low106 Ų106131.8 Ų131.864%0.64268%0.679SS**Hα-helixtrans-54.4-26.3-174.9177.20000113.6D229 L230 M231V227-D229 VanDerWaalsContact C-N 3.31Å; V227-D229 PolarHBondContact O-N 3.22Å; V227-L230 PolarHBondContact O-N 2.78Å; V227-M231 HydrophobicContact CG1-CE 4.2Å
228R51.5Low45.9Very low216 Ų216135.8 Ų135.882%0.81571%0.705SS**Hα-helixtrans-64-31.5177.4-173.9173.2-70.2170.1-0.9113.5T226T226-R228 PolarHBondContact O-N 3.43Å
229D48.6Very low46Very low85 Ų85138 Ų13846%0.45571%0.707SS.*Hα-helixtrans-70.4-39.7-178.1-166.250.1000111.6T226 V227 M231 A232T226-D229 WeakPolarHBondContact O-CB 3.33Å; T226-D229 PolarHBondContact O-N 3.24Å; V227-D229 VanDerWaalsContact C-N 3.31Å; V227-D229 PolarHBondContact O-N 3.22Å; D229-M231 VanDerWaalsContact C-N 3.28Å; D229-M231 PolarHBondContact O-N 3.06Å; D229-A232 PolarHBondContact O-N 3.26Å
230L55.9Low45.7Very low114 Ų114138.5 Ų138.560%0.59771%0.707SS**Hα-helixtrans-67.4-24.4179.2-75.3164.3000113.7V227V227-L230 PolarHBondContact O-N 2.78Å
231M53.8Low45.3Very low138 Ų138138.7 Ų138.768%0.6871%0.713SS**Hα-helixtrans-82.2-24.3176.5-66-175.1178.500113V227 D229V227-M231 HydrophobicContact CG1-CE 4.2Å; D229-M231 VanDerWaalsContact C-N 3.28Å; D229-M231 PolarHBondContact O-N 3.06Å
232A52.3Low45.4Very low71 Ų71139.2 Ų139.259%0.58771%0.711SS**Hα-helixtrans-73.7-30.3-176.700000113.3D229 H234D229-A232 PolarHBondContact O-N 3.26Å; A232-H234 PolarHBondContact O-N 2.94Å
233L46.2Very low44.7Very low144 Ų144142.9 Ų142.975%0.75472%0.721SS**THydrogen-bonded Turntrans-75.4-0.9-176.5-73.1169.6000114.8
234H45.5Very low44.7Very low174 Ų174141.9 Ų141.981%0.80672%0.718SS**THydrogen-bonded Turntrans-105.40.4-171-118.2-73.9000115.4A232A232-H234 PolarHBondContact O-N 2.94Å
235T46.7Very low43.9Very low98 Ų98141.8 Ų141.860%0.60171%0.71SS**SBendtrans-103.5-31.6-165.3-39.90000115.6
236F39.6Very low43Very low186 Ų186138.7 Ų138.782%0.81671%0.714SS**  trans-150.5104.7-177-79.6-76.4000114.4
237D32Very low41.8Very low143 Ų143141.3 Ų141.377%0.76572%0.722SS**  -148.1125.1122.6-156.5-45.2000110
238S34.9Very low41.2Very low116 Ų116144.1 Ų144.181%0.81173%0.728SS**  trans-175.661.8174.7-800000109.1
239R39.6Very low40.5Very low194 Ų194145.5 Ų145.573%0.73273%0.733SS**  trans-133.5125.7-179.4-70.9-75.7-81.7-109.6-7.7111.5
240F32.4Very low40.1Very low190 Ų190148.2 Ų148.283%0.83375%0.752SS**  trans69.3144.9-173.6-62.5-91000114.4
241K34.1Very low39.1Very low204 Ų204151.8 Ų151.889%0.88777%0.768SS**  cis-119.815211.8-166160.158-178.60111.6
242K47.6Very low38.2Very low164 Ų164148.7 Ų148.771%0.71377%0.771SS**  trans-125.1157.8-164.2163.1178.2169.5-176.20112.9
243D33.4Very low37.4Very low121 Ų121155.9 Ų155.965%0.64779%0.785SS**  trans74.4149.2174.2-65.7145.7000115.5
244H38.6Very low36.5Very low174 Ų174156.2 Ų156.281%0.80678%0.783SS**  cis-140165.55-146.5-147.5000108.9
245A30.8Very low35.7Very low79 Ų79154.1 Ų154.165%0.65378%0.783SS**  cis-143.5-143.310.800000111.4
246A30.6Very low35Very low95 Ų95154.6 Ų154.679%0.78579%0.79SS**  trans-140.4152.2178.500000113.1
247M37.5Very low34.5Very low156 Ų156150.1 Ų150.177%0.76879%0.787SS**  trans-152.4110.3160.8-157.961.5162.400113
248Q34.8Very low34.5Very low165 Ų165149.7 Ų149.777%0.77179%0.79SS**  trans51.7131.5149.9-64.1176.1-20.700122.5
249R36.5Very low34.3Very low244 Ų244150 Ų15092%0.92179%0.792SS**  trans-96.2151.4156.1-53.7177.4-176.4114-4.7109.5
250V40.4Very low34.1Very low142 Ų142146 Ų14686%0.86179%0.793SS**  trans-138.1145.8155.3179.60000109
251M34Very low34.3Very low189 Ų189146.4 Ų146.493%0.93180%0.795SS**  trans-75.4149.2177.9-76-91.5-124.500112.4
252G35.8Very low35Very low73 Ų73142.7 Ų142.775%0.75379%0.792SS**  trans-143.5128167.100000109.4
253Y33.7Very low34.1Very low223 Ų223142.6 Ų142.688%0.87580%0.799SS**  trans-100165.3-159.644.6-93.7000114.5
254E28.5Very low34.3Very low150 Ų150148 Ų14870%0.70181%0.81SS**  trans-45.7153.4168.1-98.9-13383.600115
255T28.5Very low34Very low131 Ų131142.7 Ų142.780%0.80480%0.802SS**  -175.9167.787.726.50000112.2
256S31.9Very low34.1Very low108 Ų108149.1 Ų149.176%0.75582%0.815SS**  trans-120.1137.6-177.2-60.10000114.4
257A29.5Very low34.3Very low92 Ų92153.1 Ų153.176%0.7682%0.817SS**  trans-159.6118.5163.700000108.7
258T31.9Very low34.5Very low133 Ų133151 Ų15182%0.81682%0.816SS**  cis89.6121.348.262.10000115.7
259S31.2Very low34.8Very low122 Ų122154.4 Ų154.485%0.85382%0.821SS**  trans68.7125166.8-152.90000116.6
260S33.8Very low34.4Very low110 Ų110147.7 Ų147.777%0.76981%0.812SS**  -168.8177.760.646.90000113.9
261K37.6Very low34.1Very low200 Ų200150.1 Ų150.187%0.8782%0.816SS**  trans-135.3172.1175.1-74.5179.7176.3176.30108.3
262P47.8Very low34.3Very low125 Ų125148.4 Ų148.481%0.81280%0.803SS**  cis-127.3178.1-16.139.5-25000113.7
263D29.6Very low34.5Very low162 Ų162157 Ų15787%0.86681%0.813SS**  trans-153.1164.3145.5-172.2-127.1000112.5
264R36.4Very low34.5Very low236 Ų236154.6 Ų154.689%0.89181%0.807SS**  trans-118.164.1-166.2-165.4-177.8173.5168.7-1.9114.6
265G32.6Very low34.8Very low61 Ų61152 Ų15263%0.62981%0.812SS**  trans83155.613600000120.7
266K32.5Very low35.1Very low215 Ų215151.2 Ų151.294%0.93581%0.811SS**  trans-166.3155153.7-104.4149.4-171.5170.70110.4
267H36.4Very low35.8Very low178 Ų178152 Ų15282%0.82481%0.814SS**  trans-89.8127.1-170.9-151.8-49.6000111.4
268P41.8Very low36.2Very low113 Ų113155.9 Ų155.973%0.73482%0.816SS**  trans-83153.9159.732.6-30.7000110.5
269R39.8Very low37.1Very low236 Ų236154 Ų15489%0.89181%0.807SS**  trans-108.2163.4-171.1-63.5179.6-175.9162.30.3113.2
270S29.4Very low37.1Very low103 Ų103156.1 Ų156.172%0.7281%0.808SS**  trans-44136.9172.9570000115.7
271M34.3Very low37Very low192 Ų192154.5 Ų154.595%0.94681%0.809SS**  trans-94.3152.8150.1-101-68.3176.500110.3
272K36.4Very low36.6Very low154 Ų154154.6 Ų154.667%0.6781%0.812SS**  trans-153.5116-150.3167.1-179.7142.4-173.50114.2K274K272-K274 HydrophobicContact CG-CG 3.8Å
273R41.3Very low35.8Very low252 Ų252151.7 Ų151.795%0.95181%0.805SS**  trans-146119.6158.2-66.5-177.9-119.9-147.9-0.8105.8
274K33.1Very low35.8Very low173 Ų173150.1 Ų150.175%0.75281%0.807SS**  cis81.413828.7-54.6-57.7-173.8-176.80113.9K272K272-K274 HydrophobicContact CG-CG 3.8Å
275A35.9Very low35.4Very low97 Ų97145 Ų14580%0.80280%0.802SS**  trans-154.5164.2-153.300000112.5
276S34Very low36.2Very low113 Ų113147.5 Ų147.579%0.7981%0.807SS**  trans65.1143175.7-1570000115.3
277P46.8Very low36.1Very low124 Ų124145.4 Ų145.481%0.80580%0.798SS**  -145.2176.190.940.9-24.9000116.3
278E37.7Very low35.9Very low175 Ų175145 Ų14582%0.81880%0.798SS**  trans-129.4178161.3-117.5-16390.200106.8
279P51.4Low35.4Very low94 Ų94147.3 Ų147.361%0.6181%0.805SS**  cis-132.1-172.11.442.4-25000114.9
280D31.2Very low34.9Very low166 Ų166139.6 Ų139.689%0.88880%0.798SS**  trans51.9138.5153.4-80-64000123.5
281G30.4Very low35Very low76 Ų76138.2 Ų138.278%0.78480%0.8SS**  trans177.9124.1171.800000113.4
282E30.8Very low35Very low202 Ų202138 Ų13894%0.94480%0.797SS**  trans-92.6137.5-165.3-172.4178.594.500115.2
283G30.2Very low34.7Very low64 Ų64134.1 Ų134.166%0.6680%0.8SS**  trans72.3113.114100000121.2
284S29.9Very low34.2Very low128 Ų128130.7 Ų130.790%0.89580%0.795SS**  178.2156.9124.5-82.90000113.7
285T28Very low34.4Very low130 Ų130126.1 Ų126.180%0.79878%0.783SS**  trans-119.7-173178.870.60000109.6
286P49.2Very low34.2Very low112 Ų112132.4 Ų132.473%0.72779%0.786SS**  cis-131.6-170.2-18.429.4-7.3000113
287K30.7Very low34.3Very low171 Ų171135.5 Ų135.574%0.74379%0.793SS**  133.8125.2117-170.6172.8172.3-179.20117.5
288M31.8Very low33.7Very low169 Ų169135.7 Ų135.783%0.83379%0.794SS**  trans62.1150.7155.581.8-177.6176.200120.1
289N30.2Very low33.4Very low163 Ų163132.9 Ų132.987%0.87279%0.794SS**  cis-176.6145.7-23.4174.127.4000107.7
290G29.6Very low33.1Very low73 Ų73134 Ų13475%0.75380%0.802SS**  trans95.4143.7166.100000116.6
291G31.3Very low33.1Very low74 Ų74131.3 Ų131.376%0.76380%0.795SS**  trans136.5114.8176.500000112.9
292E34.1Very low33.1Very low188 Ų188136 Ų13688%0.87980%0.797SS**  trans-78.1146.8-172.154.5-10271.600117.3
293G30.9Very low33.6Very low72 Ų72132.2 Ų132.274%0.74279%0.787SS**  80.285.5124.600000121
294Q30.2Very low34Very low180 Ų180136 Ų13684%0.84179%0.792SS**  trans-147.6107.1153.4-111-71-84.400112
295P37.9Very low34Very low77 Ų77138.3 Ų138.350%0.579%0.786SS.*  trans-86.6158.3161.537.2-33.7000109.8
296W32.1Very low34.4Very low230 Ų230140.8 Ų140.887%0.87179%0.79SS**  cis-149.612728.3-59.172.6000112.5
297L37Very low33.9Very low177 Ų177141.3 Ų141.393%0.92779%0.794SS**  trans-166116.4145-87.3-163.4000109
298P33.1Very low35.4Very low129 Ų129139.1 Ų139.184%0.83880%0.797SS**  trans-92.4142.4176.134.1-31.8000112.9
299S30.5Very low35.5Very low116 Ų116135.5 Ų135.581%0.81179%0.794SS**  trans-117.1145.5162.2-164.60000108
300P45.8Very low35.5Very low118 Ų118133.2 Ų133.277%0.76679%0.791SS**  trans-91.5145.2-159.234.6-35.4000114.5
301S31.9Very low35.7Very low108 Ų108137.9 Ų137.976%0.75580%0.798SS**  trans-165147.5151.9-102.10000112
302E29.7Very low36.6Very low174 Ų174140.2 Ų140.281%0.81380%0.799SS**  trans56.3113.8154.7-63178.1120.100119.3
303V41.7Very low36.4Very low123 Ų123133.9 Ų133.975%0.74578%0.784SS**  104.4150.651.6158.80000111.5
304L38.9Very low36.7Very low144 Ų144140 Ų14075%0.75479%0.791SS**  trans83.9149-175.3-50.6-177.3000116.2
305K30.4Very low37Very low177 Ų177136.9 Ų136.977%0.7779%0.789SS**  cis-165.4141.3-27.1177.8153.556.2-174.80109.7
306M34.9Very low36.6Very low181 Ų181138.2 Ų138.289%0.89281%0.807SS**  trans-76.3153.4-179.7-56.1-67.4-166.900114
307P40.6Very low36.6Very low123 Ų123131.7 Ų131.780%0.79980%0.801SS**  trans-128.1167.8137.49.313.6000114.2
308P60.9Low37.9Very low126 Ų126129 Ų12982%0.81879%0.794SS**  trans-132.6-168.3-155.843.8-27.6000117.9
309A34.4Very low38.9Very low93 Ų93128.4 Ų128.477%0.76979%0.791SS**  trans90.9151.2167.900000117
310S29.7Very low39Very low115 Ų115128.3 Ų128.380%0.80479%0.79SS**  cis-148.6171.414.9-58.80000114.2
311L34.4Very low38.4Very low171 Ų171129.3 Ų129.390%0.89579%0.794SS**  trans-109.2-174.8170.5-71.7173.9000111.1
312P49Very low38.6Very low122 Ų122132 Ų13279%0.79280%0.798SS**  cis-126.9-157.20.245.8-28.2000112.7
313G31.6Very low38.6Very low55 Ų55127.1 Ų127.157%0.56778%0.784SS**  cis150.3164.6-13.100000114.6
314F35.9Very low39Very low202 Ų202127.5 Ų127.589%0.88679%0.789SS**  trans65.3152.817085-104.8000119.3
315S35.8Very low38.9Very low113 Ų113128.8 Ų128.879%0.7979%0.79SS**  cis-168.5170.2-16.2-107.50000113.4
316A30.8Very low38.8Very low106 Ų106125.9 Ų125.988%0.87679%0.792SS**  trans89.4159.1155.600000122.8
317A32.8Very low38.6Very low92 Ų92127.7 Ų127.776%0.7679%0.789SS**  trans-162-172.9-175.300000109
318P63.1Low38.3Very low120 Ų120127.3 Ų127.378%0.77979%0.785SS**  cis-114.5-114.7-7.735.4-12.9000111.4
319P53.5Low37.2Very low118 Ų118127.2 Ų127.277%0.76678%0.782SS**  cis-111.9-122.40.442.1-26.4000114.8
320S34.1Very low38.2Very low113 Ų113127.9 Ų127.979%0.7978%0.779SS**  trans-158.9152.1-169.7-53.10000117.2
321T32.3Very low39.2Very low140 Ų140128.1 Ų128.186%0.85978%0.778SS**  trans-170.2156160.5140000108
322I35.6Very low39.3Very low164 Ų164128.7 Ų128.784%0.84178%0.776SS**  cis-151.2-170.4-2.4-160.4163000108.5
323S30.3Very low38.7Very low72 Ų72126.9 Ų126.950%0.50377%0.771SS.*  trans-142.2163.9174.2-165.20000111.7
324P50.8Low38.8Very low131 Ų131128.4 Ų128.485%0.85178%0.778SS**  -141.8173.698.238.1-23.3000115.9
325H35.2Very low38.7Very low171 Ų171125.1 Ų125.179%0.79278%0.775SS**  trans-107.3152.3-166.6-59.6-91.4000116.7
326S28.9Very low38.7Very low116 Ų116124.4 Ų124.481%0.81178%0.775SS**  -176.4141.6129.6-83.10000110
327R31.3Very low39.5Very low218 Ų218128.6 Ų128.682%0.82378%0.777SS**  cis-159.1124.8-3.2159.4-178.3-74.1-1381.5109.5
328T33.9Very low39.6Very low115 Ų115132 Ų13271%0.70678%0.783SS**  trans29.5139.4152.862.70000122.2
329T36.9Very low38.7Very low125 Ų125129.4 Ų129.477%0.76778%0.777SS**  cis-178.2138.7-28.9120000108.3
330P55.6Low38.4Very low107 Ų107132.1 Ų132.170%0.69578%0.779SS**  trans-91.3-170.3165.539.9-35.3000111.6
331P51.8Low39.5Very low120 Ų120130 Ų13078%0.77977%0.765SS**  -121.9150.110137-34.1000112
332E37Very low40.9Very low183 Ų183128.2 Ų128.286%0.85576%0.755SS**  63.9134.761.5-102.3-16575.900114.1
333A34.9Very low42.3Very low84 Ų84126.9 Ų126.969%0.69475%0.747SS**  cis-147.6179.15.500000113.4
334A34.9Very low44.1Very low87 Ų87125.6 Ų125.672%0.71974%0.741SS**  trans-68175.5177.400000112.3
335T33.3Very low44.9Very low133 Ų133122.2 Ų122.282%0.81673%0.725SS**  -172.7147.857.6-47.90000113.1
336A35.2Very low46.6Very low97 Ų97119.9 Ų119.980%0.80272%0.717SS**  trans59.3145.8156.700000122.4
337Q47.8Very low48.5Very low195 Ų195119.4 Ų119.491%0.91170%0.704SS**  trans-73.5148.4176.1-54.9163-21.900112.5
338N34.7Very low50.3Low164 Ų164114.8 Ų114.888%0.87770%0.695SS**  -169.8139.9123.2-161.23.5000113.1Q340N338-Q340 PolarHBondContact O-N 3.22Å
339G45.6Very low51.7Low64 Ų64112.5 Ų112.566%0.6669%0.688SS**  trans66.239136.600000121.6S341G339-S341 PolarHBondContact O-N 3.18Å
340Q47.2Very low52.9Low175 Ų175109.6 Ų109.682%0.81868%0.677SS**  trans-76.186.9174.2-159.5172.733.200112.6N338N338-Q340 PolarHBondContact O-N 3.22Å
341S55.4Low52.9Low70 Ų70110.7 Ų110.749%0.4968%0.677SS.*  trans-64.3136.3174.5177.80000111.8G339 M343 A344G339-S341 PolarHBondContact O-N 3.18Å; S341-M343 PolarHBondContact O-N 3.46Å; S341-A344 WeakPolarHBondContact O-CB 3.49Å; S341-A344 PolarHBondContact O-N 3.27Å
342P63.3Low53Low101 Ų101112.1 Ų112.166%0.65668%0.678SS**Hα-helixtrans-63-19.1-171.423.2-34.2000115A344 A345 L346P342-A344 VanDerWaalsContact C-N 3.28Å; P342-A344 PolarHBondContact O-N 3.49Å; P342-A345 PolarHBondContact O-N 3.1Å; P342-L346 PolarHBondContact O-N 3.43Å
343M65.1Low53.5Low136 Ų136107.8 Ų107.867%0.6767%0.673SS**Hα-helixtrans-66.4-26.7173.3-75.1-152.2-73.700113.4S341 A345 L346 I347S341-M343 PolarHBondContact O-N 3.46Å; M343-A345 VanDerWaalsContact C-N 3.35Å; M343-A345 PolarHBondContact O-N 3.48Å; M343-L346 PolarHBondContact O-N 3.13Å; M343-I347 WeakPolarHBondContact O-CG1 3.44Å; M343-I347 PolarHBondContact O-N 3.01Å; M343-I347 VanDerWaalsContact O-N 3.1Å
344A66.4Low54.2Low46 Ų46107 Ų10738%0.3867%0.673SS.*Hα-helixtrans-65.6-38.4177.800000112.1S341 P342 I347 L348S341-A344 WeakPolarHBondContact O-CB 3.49Å; S341-A344 PolarHBondContact O-N 3.27Å; P342-A344 VanDerWaalsContact C-N 3.28Å; P342-A344 PolarHBondContact O-N 3.49Å; A344-I347 PolarHBondContact O-N 3.41Å; A344-L348 WeakPolarHBondContact O-CG 3.44Å; A344-L348 PolarHBondContact O-N 3.42Å
345A69.1Low54.8Low60 Ų60109.8 Ų109.850%0.49668%0.676SS.*Hα-helixtrans-67.6-36175.500000112.2P342 M343 A349P342-A345 PolarHBondContact O-N 3.1Å; M343-A345 VanDerWaalsContact C-N 3.35Å; M343-A345 PolarHBondContact O-N 3.48Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 2.96Å; A345-A349 VanDerWaalsContact O-N 3.13Å
346L69.4Low55Low122 Ų122110.6 Ų110.664%0.63968%0.681SS**Hα-helixtrans-67.5-37.1176.8-80.6160.1000113P342 M343 A349 A350P342-L346 PolarHBondContact O-N 3.43Å; M343-L346 PolarHBondContact O-N 3.13Å; L346-A349 PolarHBondContact O-N 3.45Å; L346-A350 PolarHBondContact O-N 3.26Å
347I69.9Low55Low106 Ų106109.3 Ų109.354%0.54468%0.677SS.*Hα-helixtrans-67.4-48.1177.1-66.3164.4000110.4M343 A344 A349 A350 D351M343-I347 WeakPolarHBondContact O-CG1 3.44Å; M343-I347 PolarHBondContact O-N 3.01Å; M343-I347 VanDerWaalsContact O-N 3.1Å; A344-I347 PolarHBondContact O-N 3.41Å; I347-A349 PolarHBondContact O-N 3.06Å; I347-A350 WeakPolarHBondContact O-CB 3.42Å; I347-A350 PolarHBondContact O-N 2.9Å; I347-D351 PolarHBondContact O-N 3.01Å
348L69.4Low54.4Low121 Ų121105.7 Ų105.763%0.63467%0.673SS**Hα-helixtrans-62.5-26.8177.6-68.7168.7000113.6A344 N352A344-L348 WeakPolarHBondContact O-CG 3.44Å; A344-L348 PolarHBondContact O-N 3.42Å; L348-N352 PolarHBondContact O-ND2 2.97Å
349A62.1Low54.8Low67 Ų67103.7 Ų103.755%0.55467%0.669SS**Hα-helixtrans-76.9-24.9172.300000113.4A345 L346 I347A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 2.96Å; A345-A349 VanDerWaalsContact O-N 3.13Å; L346-A349 PolarHBondContact O-N 3.45Å; I347-A349 PolarHBondContact O-N 3.06Å
350A61.7Low54.2Low64 Ų64109.2 Ų109.253%0.52968%0.675SS.*Hα-helixtrans-79.5-43.6-179.600000112.7L346 I347 N352 A353L346-A350 PolarHBondContact O-N 3.26Å; I347-A350 WeakPolarHBondContact O-CB 3.42Å; I347-A350 PolarHBondContact O-N 2.9Å; A350-N352 PolarHBondContact O-N 3.42Å; A350-A353 PolarHBondContact O-N 3.01Å
351D57.6Low53.4Low129 Ų129107.4 Ų107.469%0.6967%0.671SS**Hα-helixtrans-58.4-33.8179.8-90.9-89.6000113.1I347 A353 G354I347-D351 PolarHBondContact O-N 3.01Å; D351-A353 PolarHBondContact O-N 3.23Å; D351-G354 PolarHBondContact O-N 3.17Å
352N52.3Low52.3Low150 Ų150109 Ų10980%0.80269%0.688SS**THydrogen-bonded Turntrans-72.1-6.4178.5-79.8-75.1000114.7L348 A350L348-N352 PolarHBondContact O-ND2 2.97Å; A350-N352 PolarHBondContact O-N 3.42Å
353A49Very low50.7Low92 Ų92111 Ų11176%0.7669%0.694SS**THydrogen-bonded Turntrans-96.90.9178.800000113.9A350 D351A350-A353 PolarHBondContact O-N 3.01Å; D351-A353 PolarHBondContact O-N 3.23Å
354G48.9Very low49.1Very low67 Ų67113.4 Ų113.469%0.69170%0.703SS**SBendtrans-107.44.7-156.600000119.2D351D351-G354 PolarHBondContact O-N 3.17Å
355N46.3Very low47.5Very low147 Ų147116.2 Ų116.279%0.78672%0.715SS**  trans-148.599.6-173.9-175.945.3000116.4
356T38.5Very low45.9Very low149 Ų149121.7 Ų121.791%0.91473%0.731SS**  trans-147.5102.714832.20000110.4
357G35.1Very low44.1Very low70 Ų70121.4 Ų121.472%0.72274%0.738SS**  trans-82.9136.4170.700000112.3
358S34.9Very low42.6Very low119 Ų119122.4 Ų122.483%0.83275%0.75SS**  trans-69.3148.7159.8-89.20000110
359P44.3Very low40.8Very low122 Ų122122.5 Ų122.579%0.79276%0.755SS**  -153144.781.738.7-18.7000119.3
360K32.8Very low39.2Very low181 Ų181124 Ų12479%0.78777%0.768SS**  83.9128.9128.7-167.8168.8-177.1177.80122.3
361D29.6Very low37.7Very low137 Ų137126.3 Ų126.373%0.73379%0.787SS**  trans52.4108157.2-70.5-41.9000122.4
362A31.5Very low36.4Very low102 Ų102123.2 Ų123.284%0.84379%0.786SS**  trans-152.5124.4132.400000111.1
363N30.1Very low35.4Very low145 Ų145127.3 Ų127.378%0.77579%0.79SS**  trans-74.2121-178.6165.924.4000113.1
364Q32.7Very low34.8Very low185 Ų185133.1 Ų133.186%0.86479%0.792SS**  trans-154.5154.8145-148.9144.7114.300113.3
365V32.5Very low33.9Very low105 Ų105137.2 Ų137.264%0.63680%0.799SS**  trans-118.3178.5-173.8-79.80000112.1
366H35.1Very low33.4Very low176 Ų176135.1 Ų135.182%0.81580%0.795SS**  trans100.2119.1170.1-58.1-75.2000118.2
367S32.1Very low33Very low115 Ų115131.6 Ų131.680%0.80479%0.789SS**  trans-100.7129.3158.2-51.10000108.9
368T37.5Very low33Very low127 Ų127133.6 Ų133.678%0.77979%0.791SS**  trans-171.2137147.721.80000113.8
369T32Very low33.6Very low123 Ų123133.6 Ų133.676%0.75579%0.789SS**  trans49.5108.1144.660.70000123.2
370A29.5Very low33.1Very low100 Ų100135.7 Ų135.783%0.82679%0.792SS**  81.6137.8112.900000124.2
371A30.2Very low33.3Very low111 Ų111132.5 Ų132.592%0.91779%0.793SS**  trans75134.6156.800000120.2
372G28.5Very low34Very low65 Ų65132.3 Ų132.367%0.6780%0.799SS**  trans-166.6-39.7-178.700000121.2
373R33.2Very low33.9Very low236 Ų236133.5 Ų133.589%0.89180%0.801SS**  trans64.3143.8-178.3-42179.2-179.8-94.82.6115.3
374R35.2Very low34.1Very low213 Ų213132.4 Ų132.480%0.80481%0.805SS**  178160.250.554.8-160.2164.3-83.710.5111.6
375N31.3Very low34.4Very low154 Ų154128.8 Ų128.882%0.82481%0.807SS**  trans59.6154.3162.1-87.322.8000119.9
376S34.9Very low34.5Very low103 Ų103127.6 Ų127.672%0.7282%0.816SS**  cis-177.8138.4-27.448.70000110
377G30.4Very low34.6Very low75 Ų75128.1 Ų128.177%0.77382%0.819SS**  trans158.1123.3166.200000115.3
378S34.7Very low34.9Very low111 Ų111134.9 Ų134.978%0.77683%0.826SS**  trans-150.7155171.5-55.50000109.4
379P47.3Very low34.8Very low120 Ų120139.3 Ų139.378%0.77983%0.829SS**  -131.3143.3109.333.9-23.9000111.3
380L34.8Very low34.8Very low165 Ų165139.2 Ų139.286%0.86482%0.823SS**  cis83.9119.647-69.3179.7000114.4
381S35.8Very low34.8Very low115 Ų115140.1 Ų140.180%0.80482%0.819SS**  trans-115.7154.5173.6-45.80000110.2
382P45Very low34.7Very low133 Ų133143.8 Ų143.886%0.86482%0.817SS**  trans-85.2139.6169.333.8-32.2000111.8
383S28.4Very low34.9Very low126 Ų126151.8 Ų151.888%0.88183%0.827SS**  trans-153.6135.5162.1-1740000108.5
384S34.2Very low34.8Very low122 Ų122148.7 Ų148.785%0.85382%0.823SS**  trans-119.6128.3-174.746.20000111.2
385A40.3Very low34.6Very low109 Ų109145 Ų14590%0.90182%0.823SS**  trans-98155.5-175.100000112.7
386G33.5Very low34.7Very low81 Ų81143.4 Ų143.484%0.83582%0.819SS**  trans-154.197.117300000112.4
387Q38.7Very low34.4Very low187 Ų187142.7 Ų142.787%0.87482%0.819SS**  trans-89.7139.6171.3-59.7176.53.400111
388R37.7Very low34.4Very low256 Ų256145 Ų14597%0.96682%0.819SS**  trans-147.4171142.5-67-158.9-171.3-81.4-6.1109.6
389R35.7Very low34.3Very low220 Ų220143.8 Ų143.883%0.8382%0.815SS**  trans-147154.7-160.6-173.7-167.5179-131.11.1112.1
390L31.3Very low33.5Very low121 Ų121146.7 Ų146.763%0.63482%0.818SS**  trans98.6156.8148.6-14171.4000120.1
391T28.8Very low33.3Very low119 Ų119142.9 Ų142.973%0.7381%0.805SS**  trans73.9124.6177.566.90000115.3
392Q29.8Very low33Very low189 Ų189146.9 Ų146.988%0.88381%0.811SS**  cis90.4106.126.7-170.4-165.510.700114.6
393R31.7Very low32.2Very low232 Ų232144 Ų14488%0.87581%0.806SS**  trans-168.6136.2133.9-164.1143.6179.6164.9-3.3112.1
394E30.5Very low32.6Very low172 Ų172147.2 Ų147.280%0.80481%0.809SS**  trans-89.9152.9162.6-69.7168.479.100111
395V32.2Very low32.4Very low135 Ų135148.3 Ų148.382%0.81881%0.806SS**  trans-144.1140.7155.8-176.60000108.4
396V32.1Very low32.9Very low120 Ų120147.4 Ų147.473%0.72779%0.79SS**  trans-121.8133.2-176.6171.40000110.9
397A29.7Very low33Very low88 Ų88152.2 Ų152.273%0.72779%0.791SS**  trans-169.799.316300000109.2
398T29.9Very low32.6Very low125 Ų125147 Ų14777%0.76779%0.787SS**  82.893.482.156.70000117.6
399A33.4Very low32.7Very low85 Ų85139.9 Ų139.970%0.70278%0.783SS**  65.9161.1129.400000123.5
400H31.1Very low32.9Very low180 Ų180135 Ų13583%0.83378%0.78SS**  trans73158.1170.6-66.2-82.2000119.3
401S28.9Very low33.8Very low86 Ų86135 Ų13560%0.60179%0.787SS**  -171.6136.3-59.345.70000111.9
402Q30Very low34.8Very low198 Ų198138.5 Ų138.593%0.92580%0.795SS**  trans60.7112.8158-65.4177.8-23.400120.9
403G27.7Very low34.9Very low73 Ų73135 Ų13575%0.75379%0.792SS**  85.2111.712200000121.9
404M36.8Very low35.6Very low193 Ų193131.4 Ų131.495%0.95179%0.788SS**  -173155.7119.860.3178.572.700113
405D31Very low36.7Very low146 Ų146128.8 Ų128.878%0.78179%0.786SS**  trans-126.6155.6165-165.5-118.8000104.2
406P50.3Low37Very low89 Ų89128 Ų12858%0.57878%0.778SS**  cis-151.6179.34628.9-0.7000119.7
407H34.9Very low37.6Very low182 Ų182127.1 Ų127.184%0.84378%0.776SS**  trans87.4116.3162.3-51.4103.7000119.1
408G30.7Very low38.1Very low78 Ų78128 Ų12880%0.80478%0.778SS**  trans168.855.9168.400000116
409A40.3Very low39.1Very low106 Ų106127.4 Ų127.488%0.87677%0.774SS**  trans-96.6131.1-175.300000114.6
410P40.2Very low39.7Very low118 Ų118129.9 Ų129.977%0.76678%0.782SS**  trans-111.6166.2143.73.318.4000111.4
411P50.1Low40.7Very low121 Ų121124.8 Ų124.879%0.78678%0.778SS**  trans-93.5152-155.935-36.9000116.8
412Q49.2Very low42.1Very low192 Ų192124.6 Ų124.690%0.89778%0.777SS**  trans32.2108.6148.7-61.7-169.7-500119.1
413S32Very low44.2Very low117 Ų117121.2 Ų121.282%0.81877%0.77SS**  trans-124.8135.3143.745.20000108.8
414I46.5Very low46.6Very low155 Ų155121.4 Ų121.480%0.79576%0.758SS**  trans-83.4125.1173.5-62.6174.9000107D416I414-D416 PolarHBondContact O-N 2.86Å
415P53Low49.1Very low118 Ų118115.4 Ų115.477%0.76673%0.729SS**  trans-73.698.6169.730.5-31.7000108.7
416D39.2Very low52.1Low119 Ų119111.4 Ų111.464%0.63671%0.712SS**  trans-63.5160.8170.4-177-135.8000111.5I414 S418I414-D416 PolarHBondContact O-N 2.86Å; D416-S418 PolarHBondContact O-N 2.88Å; D416-S418 PolarHBondContact O-OG 2.98Å
417S44Very low54.3Low100 Ų100107.2 Ų107.270%0.69969%0.685SS**  trans-44.787.5-167.7-570000114.9V419S417-V419 PolarHBondContact O-N 2.72Å
418S40.7Very low57.2Low108 Ų108100.8 Ų100.876%0.75566%0.658SS**  trans-80.982.9177.2-63.10000111.5D416 P420D416-S418 PolarHBondContact O-N 2.88Å; D416-S418 PolarHBondContact O-OG 2.98Å; S418-P420 WeakPolarHBondContact O-CD 3.37Å
419V50.4Low60.3Low112 Ų112101 Ų10168%0.67964%0.64SS**  trans-76.1113.2165.4-82.70000110.1S417 G421S417-V419 PolarHBondContact O-N 2.72Å; V419-G421 PolarHBondContact O-N 3.12Å; V419-G421 VanDerWaalsContact O-N 3.08Å
420P47.8Very low62.9Low136 Ų13698 Ų9888%0.88361%0.613SS**THydrogen-bonded Turntrans-83.590.6-173.533.2-33.5000110.9S418S418-P420 WeakPolarHBondContact O-CD 3.37Å
421G50.4Low65.5Low73 Ų7399.1 Ų99.175%0.75361%0.607SS**THydrogen-bonded Turntrans177.4-27.4172.900000117.3V419 V423V419-G421 PolarHBondContact O-N 3.12Å; V419-G421 VanDerWaalsContact O-N 3.08Å; G421-V423 PolarHBondContact O-N 3.42Å
422S58.7Low67.5Low83 Ų8399.4 Ų99.458%0.5860%0.598SS**PPolyproline II helixtrans-80.3119.6174.3400000110.7
423V75.2Confident69.6Low127 Ų12798.4 Ų98.477%0.7759%0.586SS**PPolyproline II helixtrans-63.6122159.9177.90000106.4G421 L425G421-V423 PolarHBondContact O-N 3.42Å; V423-L425 PolarHBondContact O-N 2.85Å
424P78.1Confident72.5Confident77 Ų7793.2 Ų93.250%0.555%0.549SS..PPolyproline II helixtrans-60.7128.1-177.523.9-33.1000109.6C426 R433P424-C426 PolarHBondContact O-N 3.04Å; P424-R433 HydrophobicContact CB-CG 4.24Å
425L89.6Confident74.4Confident67 Ų6791.6 Ų91.635%0.35154%0.538SS..PPolyproline II helixtrans-69132.3174.1-60.1-179.1000108.3V423 L434 F439 K449V423-L425 PolarHBondContact O-N 2.85Å; L425-L434 HydrophobicContact CB-CB 4.23Å; L425-L434 HydrophobicContact CB-CD1 4.07Å; L425-L434 WeakPolarHBondContact O-CB 3.42Å; L425-L434 PolarHBondContact O-N 2.88Å; L425-F439 HydrophobicContact CD1-CE1 4.17Å; L425-F439 HydrophobicContact CD1-CE2 4.35Å; L425-F439 HydrophobicContact CD1-CZ 3.85Å; L425-K449 HydrophobicContact CB-CD 4.44Å; L425-K449 HydrophobicContact CD1-CD 4.44Å; L425-K449 HydrophobicContact CD2-CD 4.13Å
426C94Very high75Confident61 Ų6192 Ų9241%0.41253%0.534SS..BIsolated β-bridgetrans-112.3151.3177.1-74.30000111.2P424 H431 E432P424-C426 PolarHBondContact O-N 3.04Å; C426-H431 PolarHBondContact SG-O 2.87Å; C426-H431 VanDerWaalsContact SG-O 3.37Å; C426-E432 CarbonylContact C-O 3.52Å; C426-E432 VanDerWaalsContact CA-O 3.31Å; C426-E432 WeakPolarHBondContact CA-O 3.48Å
427C95.2Very high76.8Confident1 Ų191.3 Ų91.31%0.00754%0.535CS..  trans-68132.9172.8-1740000110.6L429 C430 H431 E432 L434 K449 C451C427-L429 PolarHBondContact O-N 3.28Å; C427-L429 PolarHBondContact SG-N 3.14Å; C427-C430 WeakPolarHBondContact CB-SG 3.26Å; C427-C430 PolarHBondContact SG-SG 3.5Å; C427-H431 WeakPolarHBondContact O-CA 3.45Å; C427-H431 PolarHBondContact O-N 3.03Å; C427-E432 PolarHBondContact N-O 2.95Å; C427-L434 HydrophobicContact CB-CD2 3.78Å; C427-L434 HydrophobicContact CB-CG 4.48Å; C427-K449 CarbonylContact C-O 3.46Å; C427-K449 VanDerWaalsContact CA-O 3.32Å; C427-K449 WeakPolarHBondContact CA-O 3.22Å; C427-C451 HydrophobicContact CB-CB 4.47Å; C427-C451 PolarHBondContact SG-N 3.13Å; C427-C451 VanDerWaalsContact SG-N 3.42Å
428T95.5Very high78.9Confident47 Ų4791 Ų9129%0.28852%0.522SS..THydrogen-bonded Turntrans-66.3-20.4176.4-39.10000112.6S447 H448 K449T428-S447 PolarHBondContact OG1-O 3.49Å; T428-H448 WeakPolarHBondContact OG1-CA 3.36Å; T428-K449 PolarHBondContact N-O 3.17Å; T428-K449 PolarHBondContact OG1-N 2.92Å; T428-K449 PolarHBondContact OG1-O 3.28Å; T428-K449 VanDerWaalsContact OG1-O 3.06Å
429L95.6Very high81.4Confident82 Ų8288.3 Ų88.343%0.42950%0.496SS..THydrogen-bonded Turntrans-102.2-39.9-173.7-67.4169.7000114.4C427 F450 C454 P471C427-L429 PolarHBondContact O-N 3.28Å; C427-L429 PolarHBondContact SG-N 3.14Å; L429-F450 HydrophobicContact CD1-CD1 3.56Å; L429-F450 HydrophobicContact CD1-CE1 3.94Å; L429-F450 HydrophobicContact CD1-CG 4.5Å; L429-F450 HydrophobicContact CG-CD1 3.77Å; L429-F450 HydrophobicContact CG-CE1 3.93Å; L429-C454 HydrophobicContact CB-CB 4.08Å; L429-C454 HydrophobicContact CD1-CB 3.75Å; L429-P471 HydrophobicContact CD1-CB 3.93Å
430C95.5Very high83.5Confident44 Ų4483.8 Ų83.830%0.29747%0.469SS..THydrogen-bonded Turntrans-110.7-5.3177.960.90000114.2C427 E432C427-C430 WeakPolarHBondContact CB-SG 3.26Å; C427-C430 PolarHBondContact SG-SG 3.5Å; C430-E432 HydrophobicContact CB-CG 4.2Å; C430-E432 PolarHBondContact O-N 3.16Å; C430-E432 PolarHBondContact SG-OE2 3.18Å
431H94.3Very high85.8Confident141 Ų14181.3 Ų81.365%0.65345%0.446SS*.  trans59.4-2-176-57.1-61000116.7C426 C427C426-H431 PolarHBondContact SG-O 2.87Å; C426-H431 VanDerWaalsContact SG-O 3.37Å; C427-H431 WeakPolarHBondContact O-CA 3.45Å; C427-H431 PolarHBondContact O-N 3.03Å
432E93.4Very high87.9Confident128 Ų12877.9 Ų77.960%0.59841%0.41SS*.PPolyproline II helixtrans-60150171.7-60.2176.6119.600112C426 C427 C430 L434C426-E432 CarbonylContact C-O 3.52Å; C426-E432 VanDerWaalsContact CA-O 3.31Å; C426-E432 WeakPolarHBondContact CA-O 3.48Å; C427-E432 PolarHBondContact N-O 2.95Å; C430-E432 HydrophobicContact CB-CG 4.2Å; C430-E432 PolarHBondContact O-N 3.16Å; C430-E432 PolarHBondContact SG-OE2 3.18Å; E432-L434 PolarHBondContact O-N 3.4Å
433R93.3Very high89.5Confident171 Ų17177.1 Ų77.165%0.64540%0.403SS*.BIsolated β-bridgetrans-60.9130.6172.7171.5-179.1164.1-145.9-3.7109.7P424P424-R433 HydrophobicContact CB-CG 4.24Å
434L93.2Very high90.4Very high7 Ų772.4 Ų72.44%0.03738%0.376CS..PPolyproline II helixtrans-80.8136.8172-59174.2000109.7L425 C427 E432 F439 K449 C451L425-L434 HydrophobicContact CB-CB 4.23Å; L425-L434 HydrophobicContact CB-CD1 4.07Å; L425-L434 WeakPolarHBondContact O-CB 3.42Å; L425-L434 PolarHBondContact O-N 2.88Å; C427-L434 HydrophobicContact CB-CD2 3.78Å; C427-L434 HydrophobicContact CB-CG 4.48Å; E432-L434 PolarHBondContact O-N 3.4Å; L434-F439 HydrophobicContact CB-CB 4.2Å; L434-F439 HydrophobicContact CB-CD1 4.36Å; L434-F439 HydrophobicContact CB-CG 4.43Å; L434-F439 HydrophobicContact CD1-CB 3.8Å; L434-F439 HydrophobicContact CD1-CD2 4.27Å; L434-F439 HydrophobicContact CD1-CG 4Å; L434-F439 HydrophobicContact CD2-CB 3.97Å; L434-F439 HydrophobicContact CG-CB 4.2Å; L434-K449 HydrophobicContact CD1-CB 3.63Å; L434-C451 HydrophobicContact CD2-CB 3.6Å
435E84.8Confident91.1Very high121 Ų12170.4 Ų70.457%0.56536%0.362SS*.PPolyproline II helixtrans-74.5141.7166.8-61.3171.7-178.600109.3T437 H438 F439E435-T437 PolarHBondContact O-N 3.1Å; E435-H438 HydrophobicContact CB-CB 4.31Å; E435-H438 PolarHBondContact O-N 3.21Å; E435-H438 VanDerWaalsContact O-N 3.09Å; E435-H438 IonicContact OE2-CE1 3.33Å; E435-H438 IonicContact OE2-CG 2.82Å; E435-H438 IonicContact OE2-ND1 3.46Å; E435-H438 PolarHBondContact OE2-ND1 2.75Å; E435-F439 WeakPolarHBondContact O-CD1 3.43Å
436D66.3Low91.2Very high126 Ų12671.9 Ų71.967%0.67438%0.376SS*.THydrogen-bonded Turntrans-60.8-12.3-164.8-57.6-93.6000115.6
437T77.1Confident91.2Very high106 Ų10672.8 Ų72.865%0.6538%0.383SS*.THydrogen-bonded Turntrans-122.7-8.2177.654.70000115.5E435E435-T437 PolarHBondContact O-N 3.1Å
438H88Confident91.1Very high93 Ų9373.7 Ų73.743%0.43139%0.387SS..SBendtrans-114.643.5-168-56137.2000113.9E435 F452E435-H438 HydrophobicContact CB-CB 4.31Å; E435-H438 PolarHBondContact O-N 3.21Å; E435-H438 VanDerWaalsContact O-N 3.09Å; E435-H438 IonicContact OE2-CE1 3.33Å; E435-H438 IonicContact OE2-CG 2.82Å; E435-H438 IonicContact OE2-ND1 3.46Å; E435-H438 PolarHBondContact OE2-ND1 2.75Å; H438-F452 VanDerWaalsContact C-CD1 3.45Å; H438-F452 VanDerWaalsContact O-CD1 3.23Å; H438-F452 WeakPolarHBondContact O-CD1 3.38Å; H438-F452 PolarHBondContact O-N 3.26Å
439F94Very high91.1Very high51 Ų5173 Ų7322%0.22438%0.38CS..EExtended strand (participates in β ladder)trans-133.2151.7175.770-84.6000112.9L425 L434 E435 Q441 F450L425-F439 HydrophobicContact CD1-CE1 4.17Å; L425-F439 HydrophobicContact CD1-CE2 4.35Å; L425-F439 HydrophobicContact CD1-CZ 3.85Å; L434-F439 HydrophobicContact CB-CB 4.2Å; L434-F439 HydrophobicContact CB-CD1 4.36Å; L434-F439 HydrophobicContact CB-CG 4.43Å; L434-F439 HydrophobicContact CD1-CB 3.8Å; L434-F439 HydrophobicContact CD1-CD2 4.27Å; L434-F439 HydrophobicContact CD1-CG 4Å; L434-F439 HydrophobicContact CD2-CB 3.97Å; L434-F439 HydrophobicContact CG-CB 4.2Å; E435-F439 WeakPolarHBondContact O-CD1 3.43Å; F439-Q441 HydrophobicContact CD2-CB 4.27Å; F439-Q441 HydrophobicContact CE2-CB 4.04Å; F439-F450 CarbonylContact C-O 3.42Å; F439-F450 VanDerWaalsContact CA-O 3.24Å; F439-F450 WeakPolarHBondContact CA-O 3.33Å; F439-F450 WeakPolarHBondContact CB-O 3.2Å
440V94.7Very high91.2Very high17 Ų1769.1 Ų69.110%0.10336%0.36CS..EExtended strand (participates in β ladder)trans-96.2131.7168.4-179.60000107.5K449 F450 F452 S455 W485 F487 I495V440-K449 CarbonylContact O-C 3.59Å; V440-K449 WeakPolarHBondContact O-CA 3.44Å; V440-F450 PolarHBondContact N-O 3.19Å; V440-F450 PolarHBondContact O-N 3.03Å; V440-F452 HydrophobicContact CG2-CD1 4.33Å; V440-F452 HydrophobicContact CG2-CE1 4.22Å; V440-S455 WeakPolarHBondContact CG2-OG 3.4Å; V440-W485 HydrophobicContact CG1-CH2 3.77Å; V440-W485 HydrophobicContact CG1-CZ2 4.28Å; V440-F487 HydrophobicContact CB-CE1 4.3Å; V440-F487 HydrophobicContact CG1-CE1 3.56Å; V440-F487 HydrophobicContact CG1-CZ 3.84Å; V440-F487 HydrophobicContact CG2-CE1 3.84Å; V440-F487 HydrophobicContact CG2-CZ 4.26Å; V440-I495 HydrophobicContact CG2-CD1 3.68Å
441Q94.8Very high91.1Very high85 Ų8567.8 Ų67.840%0.39735%0.351SS..EExtended strand (participates in β ladder)trans-112.8135169.6176.7173.4-35.100110.1F439 H448 K449F439-Q441 HydrophobicContact CD2-CB 4.27Å; F439-Q441 HydrophobicContact CE2-CB 4.04Å; Q441-H448 WeakPolarHBondContact CA-O 3.36Å; Q441-K449 HydrophobicContact CB-CG 4.37Å; Q441-K449 HydrophobicContact CG-CG 4.16Å
442C94.7Very high91.2Very high1 Ų163.7 Ų63.71%0.00733%0.331CS..  trans-67.8130.7172.1-173.30000110.3S444 H448 W485C442-S444 PolarHBondContact O-N 2.88Å; C442-H448 HydrophobicContact CB-CB 3.55Å; C442-H448 PolarHBondContact N-O 2.82Å; C442-W485 HydrophobicContact CB-CE3 4.26Å; C442-W485 HydrophobicContact CB-CZ3 3.95Å; C442-W485 VanDerWaalsContact SG-CE3 3.58Å
443P93.4Very high91.3Very high66 Ų6661.7 Ų61.743%0.42933%0.329SS..SBendtrans-69-22.5176.928.4-35000113L478 W485P443-L478 HydrophobicContact CG-CD2 3.86Å; P443-W485 VanDerWaalsContact CD-CD2 3.41Å; P443-W485 HydrophobicContact CG-CB 4.22Å; P443-W485 HydrophobicContact CG-CD2 3.85Å; P443-W485 HydrophobicContact CG-CG 3.63Å
444S92.5Very high91.4Very high29 Ų2955 Ų5520%0.20331%0.308CS..SBendtrans-89.1-37.8-176.6-45.10000113.5C442 P477C442-S444 PolarHBondContact O-N 2.88Å; S444-P477 WeakPolarHBondContact CB-O 3.38Å; S444-P477 VanDerWaalsContact OG-C 3.31Å; S444-P477 PolarHBondContact OG-O 3.18Å
445V93.6Very high91.5Very high35 Ų3554.7 Ų54.721%0.21231%0.306CS..  trans-125.9104.6-170.4179.70000108.8S447 H448V445-S447 VanDerWaalsContact CG1-OG 3.28Å; V445-S447 WeakPolarHBondContact CG1-OG 3.39Å; V445-S447 PolarHBondContact O-N 2.8Å; V445-H448 HydrophobicContact CB-CB 4.1Å; V445-H448 HydrophobicContact CG1-CB 4.13Å; V445-H448 WeakPolarHBondContact O-CB 3.41Å; V445-H448 PolarHBondContact O-N 3.18Å
446P91.8Very high92Very high97 Ų9750.5 Ų50.563%0.6329%0.286SS*.THydrogen-bonded Turntrans-70.2-15.3-170.827.1-35000114.4K449P446-K449 WeakPolarHBondContact O-CE 3.49Å
447S92.9Very high93.4Very high80 Ų8049.5 Ų49.556%0.55928%0.277SS*.THydrogen-bonded Turntrans-82-13.9171.247.90000113.7T428 V445 K449T428-S447 PolarHBondContact OG1-O 3.49Å; V445-S447 VanDerWaalsContact CG1-OG 3.28Å; V445-S447 WeakPolarHBondContact CG1-OG 3.39Å; V445-S447 PolarHBondContact O-N 2.8Å; S447-K449 PolarHBondContact O-N 2.83Å
448H94.9Very high94.2Very high21 Ų2145.2 Ų45.210%0.09725%0.251CS..  trans-85.497.8176-73.5175.3000109.7T428 Q441 C442 V445 F450 S472 E474T428-H448 WeakPolarHBondContact OG1-CA 3.36Å; Q441-H448 WeakPolarHBondContact CA-O 3.36Å; C442-H448 HydrophobicContact CB-CB 3.55Å; C442-H448 PolarHBondContact N-O 2.82Å; V445-H448 HydrophobicContact CB-CB 4.1Å; V445-H448 HydrophobicContact CG1-CB 4.13Å; V445-H448 WeakPolarHBondContact O-CB 3.41Å; V445-H448 PolarHBondContact O-N 3.18Å; H448-F450 HydrophobicContact CB-CE2 3.78Å; H448-F450 HydrophobicContact CB-CZ 3.62Å; H448-F450 AromaticContact CG-CZ 3.95Å; H448-S472 PolarHBondContact CE1-OG 2.74Å; H448-S472 PolarHBondContact ND1-OG 3.48Å; H448-E474 IonicContact CE1-OE2 3.83Å; H448-E474 PolarHBondContact CE1-OE2 3.41Å
449K95.5Very high94.6Very high33 Ų3340.8 Ų40.814%0.14323%0.23CC..EExtended strand (participates in β ladder)trans-132.4126.3179.4-64.7168.8176.8-81.70107.6L425 C427 T428 L434 V440 Q441 P446 S447L425-K449 HydrophobicContact CB-CD 4.44Å; L425-K449 HydrophobicContact CD1-CD 4.44Å; L425-K449 HydrophobicContact CD2-CD 4.13Å; C427-K449 CarbonylContact C-O 3.46Å; C427-K449 VanDerWaalsContact CA-O 3.32Å; C427-K449 WeakPolarHBondContact CA-O 3.22Å; T428-K449 PolarHBondContact N-O 3.17Å; T428-K449 PolarHBondContact OG1-N 2.92Å; T428-K449 PolarHBondContact OG1-O 3.28Å; T428-K449 VanDerWaalsContact OG1-O 3.06Å; L434-K449 HydrophobicContact CD1-CB 3.63Å; V440-K449 CarbonylContact O-C 3.59Å; V440-K449 WeakPolarHBondContact O-CA 3.44Å; Q441-K449 HydrophobicContact CB-CG 4.37Å; Q441-K449 HydrophobicContact CG-CG 4.16Å; P446-K449 WeakPolarHBondContact O-CE 3.49Å; S447-K449 PolarHBondContact O-N 2.83Å
450F95.9Very high94.5Very high0 Ų042.6 Ų42.60%024%0.238CC..EExtended strand (participates in β ladder)trans-128.7131.3-169.2-49.6-73.5000109.8L429 F439 V440 H448 S455 P471L429-F450 HydrophobicContact CD1-CD1 3.56Å; L429-F450 HydrophobicContact CD1-CE1 3.94Å; L429-F450 HydrophobicContact CD1-CG 4.5Å; L429-F450 HydrophobicContact CG-CD1 3.77Å; L429-F450 HydrophobicContact CG-CE1 3.93Å; F439-F450 CarbonylContact C-O 3.42Å; F439-F450 VanDerWaalsContact CA-O 3.24Å; F439-F450 WeakPolarHBondContact CA-O 3.33Å; F439-F450 WeakPolarHBondContact CB-O 3.2Å; V440-F450 PolarHBondContact N-O 3.19Å; V440-F450 PolarHBondContact O-N 3.03Å; H448-F450 HydrophobicContact CB-CE2 3.78Å; H448-F450 HydrophobicContact CB-CZ 3.62Å; H448-F450 AromaticContact CG-CZ 3.95Å; F450-S455 VanDerWaalsContact CB-OG 3.27Å; F450-S455 WeakPolarHBondContact CB-OG 3.29Å; F450-P471 HydrophobicContact CD1-CB 3.89Å; F450-P471 HydrophobicContact CD2-CB 3.96Å; F450-P471 HydrophobicContact CD2-CG 3.78Å; F450-P471 HydrophobicContact CE1-CB 3.98Å; F450-P471 HydrophobicContact CE2-CB 4.07Å; F450-P471 HydrophobicContact CE2-CG 4.07Å; F450-P471 HydrophobicContact CG-CB 3.85Å; F450-P471 HydrophobicContact CG-CG 4.04Å; F450-P471 HydrophobicContact CZ-CB 4.07Å
451C95.1Very high94.5Very high16 Ų1649.7 Ų49.711%0.10827%0.27CS..EExtended strand (participates in β ladder)trans-64.2156.7170.665.50000110.1C427 L434 P453 C454 S455C427-C451 HydrophobicContact CB-CB 4.47Å; C427-C451 PolarHBondContact SG-N 3.13Å; C427-C451 VanDerWaalsContact SG-N 3.42Å; L434-C451 HydrophobicContact CD2-CB 3.6Å; C451-P453 VanDerWaalsContact C-N 3.35Å; C451-C454 PolarHBondContact O-N 3.14Å; C451-C454 PolarHBondContact SG-N 3.04Å; C451-C454 PolarHBondContact SG-SG 3.03Å; C451-S455 WeakPolarHBondContact O-CB 3.35Å; C451-S455 PolarHBondContact O-N 2.77Å; C451-S455 PolarHBondContact O-OG 2.73Å
452F95.1Very high94.4Very high55 Ų5549 Ų4924%0.24127%0.267CS..Hα-helixtrans-55.4-41.4177-86.531.1000113.2H438 V440 S455 R456 I495H438-F452 VanDerWaalsContact C-CD1 3.45Å; H438-F452 VanDerWaalsContact O-CD1 3.23Å; H438-F452 WeakPolarHBondContact O-CD1 3.38Å; H438-F452 PolarHBondContact O-N 3.26Å; V440-F452 HydrophobicContact CG2-CD1 4.33Å; V440-F452 HydrophobicContact CG2-CE1 4.22Å; F452-S455 PolarHBondContact O-N 2.76Å; F452-R456 VanDerWaalsContact O-CB 3.23Å; F452-R456 WeakPolarHBondContact O-CB 3.34Å; F452-R456 PolarHBondContact O-N 3.01Å; F452-I495 HydrophobicContact CD2-CG1 4.34Å; F452-I495 HydrophobicContact CE1-CG1 4.45Å; F452-I495 HydrophobicContact CE2-CG1 4.2Å; F452-I495 HydrophobicContact CZ-CG1 4.26Å
453P94.8Very high94.1Very high86 Ų8650.2 Ų50.256%0.55828%0.279SS*.Hα-helixtrans-55-54.1174.2-29.436.5000114.6C451 S455 R456 E457C451-P453 VanDerWaalsContact C-N 3.35Å; P453-S455 PolarHBondContact O-N 2.76Å; P453-R456 WeakPolarHBondContact O-CB 3.48Å; P453-R456 PolarHBondContact O-N 2.92Å; P453-E457 PolarHBondContact O-N 2.98Å; P453-E457 VanDerWaalsContact O-N 3.07Å
454C95.7Very high93.6Very high30 Ų3048.6 Ų48.620%0.20327%0.271CS..Hα-helixtrans-66.6-37179.5-64.70000112.4L429 C451 R456 E457 S458L429-C454 HydrophobicContact CB-CB 4.08Å; L429-C454 HydrophobicContact CD1-CB 3.75Å; C451-C454 PolarHBondContact O-N 3.14Å; C451-C454 PolarHBondContact SG-N 3.04Å; C451-C454 PolarHBondContact SG-SG 3.03Å; C454-R456 VanDerWaalsContact C-N 3.32Å; C454-R456 PolarHBondContact O-N 3.43Å; C454-E457 PolarHBondContact O-N 2.88Å; C454-S458 PolarHBondContact O-N 3.23Å; C454-S458 VanDerWaalsContact O-N 3.15Å
455S95.4Very high93.1Very high0 Ų054 Ų540%030%0.304CS..Hα-helixtrans-60.1-44.8174.2-54.50000111V440 F450 C451 F452 P453 S458 I459V440-S455 WeakPolarHBondContact CG2-OG 3.4Å; F450-S455 VanDerWaalsContact CB-OG 3.27Å; F450-S455 WeakPolarHBondContact CB-OG 3.29Å; C451-S455 WeakPolarHBondContact O-CB 3.35Å; C451-S455 PolarHBondContact O-N 2.77Å; C451-S455 PolarHBondContact O-OG 2.73Å; F452-S455 PolarHBondContact O-N 2.76Å; P453-S455 PolarHBondContact O-N 2.76Å; S455-S458 PolarHBondContact O-N 3.35Å; S455-I459 WeakPolarHBondContact O-CD1 3.24Å; S455-I459 VanDerWaalsContact O-CG1 3.27Å; S455-I459 WeakPolarHBondContact O-CG1 3.26Å; S455-I459 PolarHBondContact O-N 3.41Å
456R95.2Very high92.8Very high34 Ų3454.1 Ų54.113%0.12831%0.311CS..Hα-helixtrans-63.8-40.7179.9-166.2-170.7-64.5159.70112.4F452 P453 C454 I459 K460 I495 L496 G498 D499F452-R456 VanDerWaalsContact O-CB 3.23Å; F452-R456 WeakPolarHBondContact O-CB 3.34Å; F452-R456 PolarHBondContact O-N 3.01Å; P453-R456 WeakPolarHBondContact O-CB 3.48Å; P453-R456 PolarHBondContact O-N 2.92Å; C454-R456 VanDerWaalsContact C-N 3.32Å; C454-R456 PolarHBondContact O-N 3.43Å; R456-I459 WeakPolarHBondContact O-CB 3.27Å; R456-I459 PolarHBondContact O-N 3.08Å; R456-K460 WeakPolarHBondContact O-CG 3.33Å; R456-K460 PolarHBondContact O-N 3.13Å; R456-I495 HydrophobicContact CB-CG2 3.77Å; R456-I495 HydrophobicContact CG-CG2 4.24Å; R456-I495 PolarHBondContact NE-O 2.74Å; R456-I495 PolarHBondContact NH2-O 3.07Å; R456-L496 HydrophobicContact CG-CD2 3.65Å; R456-L496 HydrophobicContact CG-CG 4.42Å; R456-G498 PolarHBondContact NH1-O 3.32Å; R456-G498 PolarHBondContact NH2-O 2.97Å; R456-D499 WeakPolarHBondContact CD-OD2 3.48Å; R456-D499 IonicContact CZ-OD2 3.69Å; R456-D499 IonicContact NE-OD2 2.71Å; R456-D499 VanDerWaalsContact NH1-CB 3.3Å; R456-D499 IonicContact NH1-OD1 3.64Å; R456-D499 IonicContact NH1-OD2 3.65Å; R456-D499 PolarHBondContact NH1-OD2 3.46Å
457E95.4Very high92.8Very high105 Ų10555.8 Ų55.849%0.49131%0.311SS..Hα-helixtrans-67.8-39.2178.5-158.255.5-145.900111.5P453 C454 I459 K460 Q461P453-E457 PolarHBondContact O-N 2.98Å; P453-E457 VanDerWaalsContact O-N 3.07Å; C454-E457 PolarHBondContact O-N 2.88Å; E457-I459 PolarHBondContact O-N 3Å; E457-K460 PolarHBondContact O-N 2.93Å; E457-K460 WeakPolarHBondContact OE2-CD 3.46Å; E457-K460 IonicContact OE2-NZ 2.73Å; E457-K460 PolarHBondContact OE2-NZ 3.19Å; E457-Q461 WeakPolarHBondContact O-CB 3.46Å; E457-Q461 PolarHBondContact O-N 2.92Å
458S95.8Very high92.9Very high15 Ų1552 Ų5211%0.10528%0.284CS..Hα-helixtrans-63-40.3171.4-167.40000112.7C454 S455 Q461 Q462C454-S458 PolarHBondContact O-N 3.23Å; C454-S458 VanDerWaalsContact O-N 3.15Å; S455-S458 PolarHBondContact O-N 3.35Å; S458-Q461 PolarHBondContact O-N 2.87Å; S458-Q462 WeakPolarHBondContact O-CB 3.34Å; S458-Q462 WeakPolarHBondContact O-CG 3.13Å; S458-Q462 PolarHBondContact O-N 2.71Å; S458-Q462 PolarHBondContact OG-NE2 3.15Å
459I94.6Very high92.9Very high0 Ų053.2 Ų53.20%029%0.288CS..Hα-helixtrans-60.6-43.9173.6-72.3158.8000111.5S455 R456 E457 G463 A464 V468 F487 I492 I495 L496S455-I459 WeakPolarHBondContact O-CD1 3.24Å; S455-I459 VanDerWaalsContact O-CG1 3.27Å; S455-I459 WeakPolarHBondContact O-CG1 3.26Å; S455-I459 PolarHBondContact O-N 3.41Å; R456-I459 WeakPolarHBondContact O-CB 3.27Å; R456-I459 PolarHBondContact O-N 3.08Å; E457-I459 PolarHBondContact O-N 3Å; I459-G463 CarbonylContact O-C 3.56Å; I459-G463 PolarHBondContact O-N 3.32Å; I459-G463 VanDerWaalsContact O-N 3.15Å; I459-A464 HydrophobicContact CG2-CB 3.99Å; I459-A464 PolarHBondContact O-N 3.06Å; I459-V468 HydrophobicContact CB-CG1 4.34Å; I459-V468 HydrophobicContact CG1-CG1 3.8Å; I459-V468 HydrophobicContact CG2-CG2 4.49Å; I459-F487 HydrophobicContact CD1-CE1 4.36Å; I459-F487 HydrophobicContact CD1-CE2 4.3Å; I459-F487 HydrophobicContact CD1-CZ 4.2Å; I459-F487 HydrophobicContact CG1-CD2 4.24Å; I459-F487 HydrophobicContact CG1-CE2 4.1Å; I459-F487 HydrophobicContact CG1-CZ 4.48Å; I459-I492 HydrophobicContact CG2-CG2 3.93Å; I459-I495 HydrophobicContact CD1-CB 4.01Å; I459-I495 HydrophobicContact CD1-CD1 3.89Å; I459-I495 HydrophobicContact CD1-CG2 3.76Å; I459-L496 HydrophobicContact CG2-CD1 3.79Å; I459-L496 HydrophobicContact CG2-CD2 4.21Å; I459-L496 HydrophobicContact CG2-CG 4.02Å
460K93.3Very high93Very high89 Ų8951.6 Ų51.639%0.38728%0.281SS..Hα-helixtrans-62.9-45.1175.5-71.5167.1-176.6168.80111.2R456 E457 G463 L496 D499R456-K460 WeakPolarHBondContact O-CG 3.33Å; R456-K460 PolarHBondContact O-N 3.13Å; E457-K460 PolarHBondContact O-N 2.93Å; E457-K460 WeakPolarHBondContact OE2-CD 3.46Å; E457-K460 IonicContact OE2-NZ 2.73Å; E457-K460 PolarHBondContact OE2-NZ 3.19Å; K460-G463 PolarHBondContact O-N 2.55Å; K460-L496 HydrophobicContact CG-CD2 4.08Å; K460-D499 IonicContact NZ-OD2 2.92Å; K460-D499 PolarHBondContact NZ-OD2 3Å
461Q93.3Very high92.9Very high166 Ų16652 Ų5278%0.77628%0.284SS*.Hα-helixtrans-72.1-34.9-175.6-173.8171.58100113.8E457 S458E457-Q461 WeakPolarHBondContact O-CB 3.46Å; E457-Q461 PolarHBondContact O-N 2.92Å; S458-Q461 PolarHBondContact O-N 2.87Å
462Q92.7Very high92.9Very high72 Ų7253.1 Ų53.134%0.33629%0.292SS..Hα-helixtrans-79.6-18174.3-67.9-17669.900113.2S458 V468 Y469S458-Q462 WeakPolarHBondContact O-CB 3.34Å; S458-Q462 WeakPolarHBondContact O-CG 3.13Å; S458-Q462 PolarHBondContact O-N 2.71Å; S458-Q462 PolarHBondContact OG-NE2 3.15Å; Q462-V468 HydrophobicContact CB-CG1 4.07Å; Q462-V468 HydrophobicContact CB-CG2 4.27Å; Q462-V468 HydrophobicContact CG-CG1 4.42Å; Q462-Y469 PolarHBondContact NE2-O 3.12Å
463G89.2Confident92.7Very high25 Ų2553.8 Ų53.826%0.25831%0.314SS..  trans92.6103.9-179.500000112.6I459 K460 T465 G466I459-G463 CarbonylContact O-C 3.56Å; I459-G463 PolarHBondContact O-N 3.32Å; I459-G463 VanDerWaalsContact O-N 3.15Å; K460-G463 PolarHBondContact O-N 2.55Å; G463-T465 PolarHBondContact O-N 3.15Å; G463-G466 PolarHBondContact O-N 2.95Å
464A83.9Confident92.6Very high32 Ų3255 Ų5526%0.26431%0.312SS..THydrogen-bonded Turntrans-60.2-15-174.600000115.7I459 Q489 I492 L496I459-A464 HydrophobicContact CG2-CB 3.99Å; I459-A464 PolarHBondContact O-N 3.06Å; A464-Q489 PolarHBondContact O-NE2 3.4Å; A464-I492 HydrophobicContact CB-CG2 3.98Å; A464-L496 HydrophobicContact CB-CD1 3.76Å
465T81.1Confident92.5Very high144 Ų14459.5 Ų59.588%0.88333%0.329SS*.THydrogen-bonded Turntrans-84.5-8.5176.249.50000114.1G463G463-T465 PolarHBondContact O-N 3.15Å
466G86.7Confident92.5Very high36 Ų3659.7 Ų59.737%0.37133%0.33SS..SBendtrans-110.5-163.8-178.400000114.2G463 V468 Q489G463-G466 PolarHBondContact O-N 2.95Å; G466-V468 PolarHBondContact O-N 3.32Å; G466-Q489 PolarHBondContact O-NE2 3.24Å
467E91.9Very high92.5Very high132 Ų13261.4 Ų61.462%0.61735%0.345SS*.  trans-77.6106.7167.3-65.2-169.7154.900109.8Y469 A486E467-Y469 HydrophobicContact CB-CE1 4.05Å; E467-Y469 HydrophobicContact CB-CE2 4.18Å; E467-Y469 VanDerWaalsContact O-CE2 3.29Å; E467-Y469 WeakPolarHBondContact O-CE2 2.98Å; E467-Y469 VanDerWaalsContact OE2-CZ 3.31Å; E467-Y469 PolarHBondContact OE2-OH 3.44Å; E467-A486 HydrophobicContact CB-CB 4.44Å
468V95.4Very high92.3Very high0 Ų059.5 Ų59.50%034%0.338CS..  trans-90.4116.7173.6-1780000109.5I459 Q462 G466 A486 F487 I492I459-V468 HydrophobicContact CB-CG1 4.34Å; I459-V468 HydrophobicContact CG1-CG1 3.8Å; I459-V468 HydrophobicContact CG2-CG2 4.49Å; Q462-V468 HydrophobicContact CB-CG1 4.07Å; Q462-V468 HydrophobicContact CB-CG2 4.27Å; Q462-V468 HydrophobicContact CG-CG1 4.42Å; G466-V468 PolarHBondContact O-N 3.32Å; V468-A486 CarbonylContact O-C 3.53Å; V468-A486 WeakPolarHBondContact O-CA 3.38Å; V468-A486 VanDerWaalsContact O-CB 3.27Å; V468-A486 WeakPolarHBondContact O-CB 3.22Å; V468-F487 HydrophobicContact CB-CD2 4.06Å; V468-F487 HydrophobicContact CG1-CD2 3.69Å; V468-F487 HydrophobicContact CG1-CE2 4.09Å; V468-F487 PolarHBondContact O-N 3.18Å; V468-I492 HydrophobicContact CB-CD1 4.19Å; V468-I492 HydrophobicContact CG2-CD1 3.89Å
469Y95.8Very high91.9Very high47 Ų4764.6 Ų64.618%0.18437%0.368CS..BIsolated β-bridgetrans-88.9-178.7179.3-50.7-76.6000112.4Q462 E467 K475 P484 A486Q462-Y469 PolarHBondContact NE2-O 3.12Å; E467-Y469 HydrophobicContact CB-CE1 4.05Å; E467-Y469 HydrophobicContact CB-CE2 4.18Å; E467-Y469 VanDerWaalsContact O-CE2 3.29Å; E467-Y469 WeakPolarHBondContact O-CE2 2.98Å; E467-Y469 VanDerWaalsContact OE2-CZ 3.31Å; E467-Y469 PolarHBondContact OE2-OH 3.44Å; Y469-K475 VanDerWaalsContact CD2-NZ 3.26Å; Y469-P484 HydrophobicContact CD1-CB 4.01Å; Y469-P484 HydrophobicContact CD1-CG 4.27Å; Y469-P484 HydrophobicContact CE1-CB 4.13Å; Y469-P484 HydrophobicContact CE1-CG 3.86Å; Y469-A486 HydrophobicContact CD1-CB 4.05Å; Y469-A486 HydrophobicContact CE1-CB 4.3Å
470C95.7Very high91.5Very high0 Ų068.8 Ų68.80%041%0.412CS..  trans-49.5131.9-176.6-166.60000113.5S472 G473 E474 C476 W485C470-S472 PolarHBondContact O-N 3.41Å; C470-S472 PolarHBondContact SG-OG 3.38Å; C470-S472 VanDerWaalsContact SG-OG 3.41Å; C470-G473 PolarHBondContact O-N 3Å; C470-E474 VanDerWaalsContact CB-O 3.29Å; C470-E474 WeakPolarHBondContact CB-O 3.38Å; C470-C476 HydrophobicContact CB-CB 4.26Å; C470-W485 HydrophobicContact CB-CE3 3.94Å; C470-W485 HydrophobicContact CB-CZ3 3.93Å
471P95.8Very high91.5Very high9 Ų966.9 Ų66.96%0.05841%0.409CS..THydrogen-bonded Turntrans-60.3-10178.4-27.835.4000117L429 F450 G473 F487L429-P471 HydrophobicContact CD1-CB 3.93Å; F450-P471 HydrophobicContact CD1-CB 3.89Å; F450-P471 HydrophobicContact CD2-CB 3.96Å; F450-P471 HydrophobicContact CD2-CG 3.78Å; F450-P471 HydrophobicContact CE1-CB 3.98Å; F450-P471 HydrophobicContact CE2-CB 4.07Å; F450-P471 HydrophobicContact CE2-CG 4.07Å; F450-P471 HydrophobicContact CG-CB 3.85Å; F450-P471 HydrophobicContact CG-CG 4.04Å; F450-P471 HydrophobicContact CZ-CB 4.07Å; P471-G473 PolarHBondContact O-N 2.8Å; P471-F487 HydrophobicContact CG-CE2 3.85Å; P471-F487 HydrophobicContact CG-CZ 3.86Å
472S94.2Very high91.4Very high39 Ų3966.8 Ų66.827%0.27341%0.414SS..THydrogen-bonded Turntrans-71.5-12169.660.40000113.7H448 C470 E474H448-S472 PolarHBondContact CE1-OG 2.74Å; H448-S472 PolarHBondContact ND1-OG 3.48Å; C470-S472 PolarHBondContact O-N 3.41Å; C470-S472 PolarHBondContact SG-OG 3.38Å; C470-S472 VanDerWaalsContact SG-OG 3.41Å; S472-E474 PolarHBondContact O-N 3.44Å; S472-E474 PolarHBondContact OG-N 3.49Å
473G91.6Very high91.4Very high68 Ų6867.5 Ų67.570%0.70142%0.423SS*.SBendtrans83.1-9.7-169.300000113.8C470 P471C470-G473 PolarHBondContact O-N 3Å; P471-G473 PolarHBondContact O-N 2.8Å
474E92.6Very high91.6Very high111 Ų11168.3 Ų68.352%0.51942%0.424SS..  trans-82.2134.7176.7-62.1-168149.200112H448 C470 S472 C476H448-E474 IonicContact CE1-OE2 3.83Å; H448-E474 PolarHBondContact CE1-OE2 3.41Å; C470-E474 VanDerWaalsContact CB-O 3.29Å; C470-E474 WeakPolarHBondContact CB-O 3.38Å; S472-E474 PolarHBondContact O-N 3.44Å; S472-E474 PolarHBondContact OG-N 3.49Å; E474-C476 PolarHBondContact O-N 3.46Å
475K93.5Very high92.1Very high126 Ų12667.8 Ų67.855%0.54842%0.415SS..  trans-75.765.2171.2-75.6-177176.3-71.20111.6Y469 P477 P484Y469-K475 VanDerWaalsContact CD2-NZ 3.26Å; K475-P477 WeakPolarHBondContact O-CD 3.33Å; K475-P484 HydrophobicContact CB-CB 4.2Å
476C94.5Very high92.8Very high3 Ų362.2 Ų62.22%0.0238%0.383CS..  trans-52.9114.9178.5-67.90000111.4C470 E474 W485C470-C476 HydrophobicContact CB-CB 4.26Å; E474-C476 PolarHBondContact O-N 3.46Å; C476-W485 PolarHBondContact O-N 2.84Å
477P95.1Very high93.2Very high70 Ų7061.1 Ų61.146%0.45537%0.368SS..BIsolated β-bridgetrans-76.7139.1-177.629.9-34.4000111.9S444 K475 V479 V483S444-P477 WeakPolarHBondContact CB-O 3.38Å; S444-P477 VanDerWaalsContact OG-C 3.31Å; S444-P477 PolarHBondContact OG-O 3.18Å; K475-P477 WeakPolarHBondContact O-CD 3.33Å; P477-V479 PolarHBondContact O-N 3.4Å; P477-V483 CarbonylContact C-O 3.5Å; P477-V483 WeakPolarHBondContact CA-O 3.25Å
478L92.1Very high93.3Very high66 Ų6660.7 Ų60.735%0.34637%0.368SS..PPolyproline II helixtrans-62.8132.9175.3-79.1170.5000110.6P443 G480 S481 V483 W485P443-L478 HydrophobicContact CG-CD2 3.86Å; L478-G480 PolarHBondContact O-N 3.41Å; L478-S481 WeakPolarHBondContact CB-OG 3.45Å; L478-S481 PolarHBondContact O-N 2.79Å; L478-S481 PolarHBondContact O-OG 2.9Å; L478-V483 PolarHBondContact N-O 3.27Å; L478-W485 HydrophobicContact CD2-CB 3.87Å; L478-W485 HydrophobicContact CD2-CG 4.15Å; L478-W485 HydrophobicContact CG-CB 3.97Å
479V87.5Confident93.2Very high122 Ų12265.7 Ų65.774%0.73939%0.391SS*.THydrogen-bonded Turntrans-51.3118.5-172.2-178.40000111.7P477P477-V479 PolarHBondContact O-N 3.4Å
480G86.6Confident93.1Very high88 Ų8865.8 Ų65.891%0.90741%0.407SS*.THydrogen-bonded Turntrans88.69.4-177.400000115.3L478L478-G480 PolarHBondContact O-N 3.41Å
481S91.9Very high92.9Very high48 Ų4869 Ų6934%0.33642%0.421SS..SBendtrans-141.7170.2178.979.30000112.4L478 V483L478-S481 WeakPolarHBondContact CB-OG 3.45Å; L478-S481 PolarHBondContact O-N 2.79Å; L478-S481 PolarHBondContact O-OG 2.9Å; S481-V483 PolarHBondContact OG-N 3.27Å
482N90.8Very high92.9Very high164 Ų16468.7 Ų68.788%0.87742%0.42SS*.SBendtrans-97.69.5168.1-63.9-48.5000112.6
483V93.7Very high92.8Very high88 Ų8869.6 Ų69.653%0.53343%0.429SS..SBendtrans-83.1124.9-178.5-178.50000108.5P477 L478 S481P477-V483 CarbonylContact C-O 3.5Å; P477-V483 WeakPolarHBondContact CA-O 3.25Å; L478-V483 PolarHBondContact N-O 3.27Å; S481-V483 PolarHBondContact OG-N 3.27Å
484P94Very high92.8Very high41 Ų4170.7 Ų70.727%0.26642%0.422SS..BIsolated β-bridgetrans-65.3138.3177.328.6-35000110.7Y469 K475Y469-P484 HydrophobicContact CD1-CB 4.01Å; Y469-P484 HydrophobicContact CD1-CG 4.27Å; Y469-P484 HydrophobicContact CE1-CB 4.13Å; Y469-P484 HydrophobicContact CE1-CG 3.86Å; K475-P484 HydrophobicContact CB-CB 4.2Å
485W94.5Very high92.8Very high22 Ų2265.7 Ų65.78%0.08340%0.399CS..PPolyproline II helixtrans-68.8131.617017357.8000110.5V440 C442 P443 C470 C476 L478 F487V440-W485 HydrophobicContact CG1-CH2 3.77Å; V440-W485 HydrophobicContact CG1-CZ2 4.28Å; C442-W485 HydrophobicContact CB-CE3 4.26Å; C442-W485 HydrophobicContact CB-CZ3 3.95Å; C442-W485 VanDerWaalsContact SG-CE3 3.58Å; P443-W485 VanDerWaalsContact CD-CD2 3.41Å; P443-W485 HydrophobicContact CG-CB 4.22Å; P443-W485 HydrophobicContact CG-CD2 3.85Å; P443-W485 HydrophobicContact CG-CG 3.63Å; C470-W485 HydrophobicContact CB-CE3 3.94Å; C470-W485 HydrophobicContact CB-CZ3 3.93Å; C476-W485 PolarHBondContact O-N 2.84Å; L478-W485 HydrophobicContact CD2-CB 3.87Å; L478-W485 HydrophobicContact CD2-CG 4.15Å; L478-W485 HydrophobicContact CG-CB 3.97Å; W485-F487 HydrophobicContact CH2-CE1 4.49Å; W485-F487 HydrophobicContact CH2-CZ 4.39Å
486A95.3Very high92.7Very high26 Ų2661.8 Ų61.822%0.21538%0.384CS..BIsolated β-bridgetrans-129.1155.8170.300000109.8E467 V468 Y469E467-A486 HydrophobicContact CB-CB 4.44Å; V468-A486 CarbonylContact O-C 3.53Å; V468-A486 WeakPolarHBondContact O-CA 3.38Å; V468-A486 VanDerWaalsContact O-CB 3.27Å; V468-A486 WeakPolarHBondContact O-CB 3.22Å; Y469-A486 HydrophobicContact CD1-CB 4.05Å; Y469-A486 HydrophobicContact CE1-CB 4.3Å
487F94.8Very high92.2Very high13 Ų1364.5 Ų64.56%0.05741%0.406CS..  trans-63.7143172.8-74-88.2000111.5V440 I459 V468 P471 W485 E491 I492 I495V440-F487 HydrophobicContact CB-CE1 4.3Å; V440-F487 HydrophobicContact CG1-CE1 3.56Å; V440-F487 HydrophobicContact CG1-CZ 3.84Å; V440-F487 HydrophobicContact CG2-CE1 3.84Å; V440-F487 HydrophobicContact CG2-CZ 4.26Å; I459-F487 HydrophobicContact CD1-CE1 4.36Å; I459-F487 HydrophobicContact CD1-CE2 4.3Å; I459-F487 HydrophobicContact CD1-CZ 4.2Å; I459-F487 HydrophobicContact CG1-CD2 4.24Å; I459-F487 HydrophobicContact CG1-CE2 4.1Å; I459-F487 HydrophobicContact CG1-CZ 4.48Å; V468-F487 HydrophobicContact CB-CD2 4.06Å; V468-F487 HydrophobicContact CG1-CD2 3.69Å; V468-F487 HydrophobicContact CG1-CE2 4.09Å; V468-F487 PolarHBondContact O-N 3.18Å; P471-F487 HydrophobicContact CG-CE2 3.85Å; P471-F487 HydrophobicContact CG-CZ 3.86Å; W485-F487 HydrophobicContact CH2-CE1 4.49Å; W485-F487 HydrophobicContact CH2-CZ 4.39Å; F487-E491 HydrophobicContact CD1-CB 4.08Å; F487-I492 HydrophobicContact CB-CD1 4.01Å; F487-I492 HydrophobicContact CB-CG1 3.63Å; F487-I492 HydrophobicContact CG-CG1 4.39Å; F487-I495 HydrophobicContact CD1-CD1 4.05Å; F487-I495 HydrophobicContact CE1-CD1 3.56Å; F487-I495 HydrophobicContact CZ-CD1 4.38Å
488M94.5Very high91Very high124 Ų12464 Ų6461%0.61141%0.414SS*.  trans-73.1146.4166.6-62-178.8-74.100110.1G490 E491 I492M488-G490 PolarHBondContact O-N 3.47Å; M488-G490 VanDerWaalsContact O-N 3.12Å; M488-E491 HydrophobicContact CB-CG 4.14Å; M488-E491 WeakPolarHBondContact CB-OE2 3.33Å; M488-E491 VanDerWaalsContact CE-CD 3.42Å; M488-E491 HydrophobicContact CE-CG 4Å; M488-E491 WeakPolarHBondContact CE-OE1 3.47Å; M488-E491 PolarHBondContact N-OE2 2.92Å; M488-E491 WeakPolarHBondContact O-CA 3.21Å; M488-E491 WeakPolarHBondContact O-CB 3.21Å; M488-E491 PolarHBondContact O-N 3.07Å; M488-I492 PolarHBondContact O-N 3.12Å
489Q92.7Very high89.6Confident105 Ų10564.4 Ų64.449%0.49142%0.416SS..Hα-helixtrans-59.2-27.8-179.1-77.6-68.4-1800113.9A464 G466 A493A464-Q489 PolarHBondContact O-NE2 3.4Å; G466-Q489 PolarHBondContact O-NE2 3.24Å; Q489-A493 WeakPolarHBondContact O-CB 3.22Å; Q489-A493 PolarHBondContact O-N 3.06Å
490G92.9Very high88.2Confident49 Ų4963.8 Ų63.851%0.50541%0.413SS..Hα-helixtrans-68.1-35.9170.600000113.9M488 T494M488-G490 PolarHBondContact O-N 3.47Å; M488-G490 VanDerWaalsContact O-N 3.12Å; G490-T494 WeakPolarHBondContact O-CB 3.46Å; G490-T494 PolarHBondContact O-N 2.96Å; G490-T494 PolarHBondContact O-OG1 3.41Å
491E93.4Very high86.8Confident66 Ų6669 Ų6931%0.30841%0.41SS..Hα-helixtrans-70.4-45.3174.9-60.1171.9135.100110.5F487 M488 A493 T494 I495F487-E491 HydrophobicContact CD1-CB 4.08Å; M488-E491 HydrophobicContact CB-CG 4.14Å; M488-E491 WeakPolarHBondContact CB-OE2 3.33Å; M488-E491 VanDerWaalsContact CE-CD 3.42Å; M488-E491 HydrophobicContact CE-CG 4Å; M488-E491 WeakPolarHBondContact CE-OE1 3.47Å; M488-E491 PolarHBondContact N-OE2 2.92Å; M488-E491 WeakPolarHBondContact O-CA 3.21Å; M488-E491 WeakPolarHBondContact O-CB 3.21Å; M488-E491 PolarHBondContact O-N 3.07Å; E491-A493 VanDerWaalsContact C-N 3.34Å; E491-A493 PolarHBondContact O-N 3.37Å; E491-T494 PolarHBondContact O-N 3.42Å; E491-T494 VanDerWaalsContact O-N 3.17Å; E491-I495 WeakPolarHBondContact O-CB 3.27Å; E491-I495 WeakPolarHBondContact O-CD1 3.26Å; E491-I495 VanDerWaalsContact O-CG1 3.26Å; E491-I495 WeakPolarHBondContact O-CG1 3.32Å; E491-I495 PolarHBondContact O-N 2.7Å
492I93.9Very high84.6Confident4 Ų472.9 Ų72.92%0.02143%0.432CS..Hα-helixtrans-52.1-52.7172.4-69.6174.8000110.2I459 A464 V468 F487 M488 T494 I495 L496I459-I492 HydrophobicContact CG2-CG2 3.93Å; A464-I492 HydrophobicContact CB-CG2 3.98Å; V468-I492 HydrophobicContact CB-CD1 4.19Å; V468-I492 HydrophobicContact CG2-CD1 3.89Å; F487-I492 HydrophobicContact CB-CD1 4.01Å; F487-I492 HydrophobicContact CB-CG1 3.63Å; F487-I492 HydrophobicContact CG-CG1 4.39Å; M488-I492 PolarHBondContact O-N 3.12Å; I492-T494 PolarHBondContact O-N 3.5Å; I492-I495 PolarHBondContact O-N 3.04Å; I492-L496 HydrophobicContact CG2-CD1 3.71Å; I492-L496 WeakPolarHBondContact O-CB 3.29Å; I492-L496 WeakPolarHBondContact O-CD1 3.36Å; I492-L496 WeakPolarHBondContact O-CG 3.49Å; I492-L496 PolarHBondContact O-N 3.03Å
493A92.9Very high82.6Confident57 Ų5774.5 Ų74.547%0.47143%0.431SS..Hα-helixtrans-60-42.7178.300000112.5Q489 E491 A497Q489-A493 WeakPolarHBondContact O-CB 3.22Å; Q489-A493 PolarHBondContact O-N 3.06Å; E491-A493 VanDerWaalsContact C-N 3.34Å; E491-A493 PolarHBondContact O-N 3.37Å; A493-A497 WeakPolarHBondContact O-CB 3.49Å; A493-A497 PolarHBondContact O-N 2.8Å
494T91.8Very high80.6Confident92 Ų9279.6 Ų79.656%0.56445%0.446SS*.Hα-helixtrans-68.3-45.1-178.1-58.10000111.6G490 E491 I492 L496 A497G490-T494 WeakPolarHBondContact O-CB 3.46Å; G490-T494 PolarHBondContact O-N 2.96Å; G490-T494 PolarHBondContact O-OG1 3.41Å; E491-T494 PolarHBondContact O-N 3.42Å; E491-T494 VanDerWaalsContact O-N 3.17Å; I492-T494 PolarHBondContact O-N 3.5Å; T494-L496 VanDerWaalsContact C-N 3.35Å; T494-L496 PolarHBondContact O-N 3.38Å; T494-A497 PolarHBondContact O-N 3.24Å
495I92.1Very high78.3Confident5 Ų586 Ų863%0.02647%0.472CS..Hα-helixtrans-66.1-38.7179.8-65.9162.6000110.5V440 F452 R456 I459 F487 E491 I492V440-I495 HydrophobicContact CG2-CD1 3.68Å; F452-I495 HydrophobicContact CD2-CG1 4.34Å; F452-I495 HydrophobicContact CE1-CG1 4.45Å; F452-I495 HydrophobicContact CE2-CG1 4.2Å; F452-I495 HydrophobicContact CZ-CG1 4.26Å; R456-I495 HydrophobicContact CB-CG2 3.77Å; R456-I495 HydrophobicContact CG-CG2 4.24Å; R456-I495 PolarHBondContact NE-O 2.74Å; R456-I495 PolarHBondContact NH2-O 3.07Å; I459-I495 HydrophobicContact CD1-CB 4.01Å; I459-I495 HydrophobicContact CD1-CD1 3.89Å; I459-I495 HydrophobicContact CD1-CG2 3.76Å; F487-I495 HydrophobicContact CD1-CD1 4.05Å; F487-I495 HydrophobicContact CE1-CD1 3.56Å; F487-I495 HydrophobicContact CZ-CD1 4.38Å; E491-I495 WeakPolarHBondContact O-CB 3.27Å; E491-I495 WeakPolarHBondContact O-CD1 3.26Å; E491-I495 VanDerWaalsContact O-CG1 3.26Å; E491-I495 WeakPolarHBondContact O-CG1 3.32Å; E491-I495 PolarHBondContact O-N 2.7Å; I492-I495 PolarHBondContact O-N 3.04Å
496L90.9Very high76.3Confident45 Ų4596.3 Ų96.324%0.23651%0.511CS..Hα-helixtrans-74.9-33.9176-72.7167.1000113.8R456 I459 K460 A464 I492 T494 G498 D499R456-L496 HydrophobicContact CG-CD2 3.65Å; R456-L496 HydrophobicContact CG-CG 4.42Å; I459-L496 HydrophobicContact CG2-CD1 3.79Å; I459-L496 HydrophobicContact CG2-CD2 4.21Å; I459-L496 HydrophobicContact CG2-CG 4.02Å; K460-L496 HydrophobicContact CG-CD2 4.08Å; A464-L496 HydrophobicContact CB-CD1 3.76Å; I492-L496 HydrophobicContact CG2-CD1 3.71Å; I492-L496 WeakPolarHBondContact O-CB 3.29Å; I492-L496 WeakPolarHBondContact O-CD1 3.36Å; I492-L496 WeakPolarHBondContact O-CG 3.49Å; I492-L496 PolarHBondContact O-N 3.03Å; T494-L496 VanDerWaalsContact C-N 3.35Å; T494-L496 PolarHBondContact O-N 3.38Å; L496-G498 PolarHBondContact O-N 3.13Å; L496-D499 WeakPolarHBondContact O-CB 3.49Å; L496-D499 PolarHBondContact O-N 2.87Å
497A85.6Confident73.9Confident59 Ų59101.9 Ų101.949%0.48854%0.538SS..Hα-helixtrans-59.4-31.6-178.600000112.6A493 T494 D499 V500A493-A497 WeakPolarHBondContact O-CB 3.49Å; A493-A497 PolarHBondContact O-N 2.8Å; T494-A497 PolarHBondContact O-N 3.24Å; A497-D499 PolarHBondContact O-N 3.17Å; A497-D499 VanDerWaalsContact O-N 3.07Å; A497-V500 WeakPolarHBondContact O-CB 3.42Å; A497-V500 WeakPolarHBondContact O-CG2 3.23Å; A497-V500 PolarHBondContact O-N 3.36Å
498G69Low72.4Confident59 Ų59110.3 Ų110.361%0.60859%0.594SS**THydrogen-bonded Turntrans-69.69.2171.400000115.7R456 L496R456-G498 PolarHBondContact NH1-O 3.32Å; R456-G498 PolarHBondContact NH2-O 2.97Å; L496-G498 PolarHBondContact O-N 3.13Å
499D62.5Low71.3Confident75 Ų75109.7 Ų109.740%0.40159%0.593SS.*THydrogen-bonded Turntrans-106.3-3.2168.3-136-39.8000112R456 K460 L496 A497 K501R456-D499 WeakPolarHBondContact CD-OD2 3.48Å; R456-D499 IonicContact CZ-OD2 3.69Å; R456-D499 IonicContact NE-OD2 2.71Å; R456-D499 VanDerWaalsContact NH1-CB 3.3Å; R456-D499 IonicContact NH1-OD1 3.64Å; R456-D499 IonicContact NH1-OD2 3.65Å; R456-D499 PolarHBondContact NH1-OD2 3.46Å; K460-D499 IonicContact NZ-OD2 2.92Å; K460-D499 PolarHBondContact NZ-OD2 3Å; L496-D499 WeakPolarHBondContact O-CB 3.49Å; L496-D499 PolarHBondContact O-N 2.87Å; A497-D499 PolarHBondContact O-N 3.17Å; A497-D499 VanDerWaalsContact O-N 3.07Å; D499-K501 PolarHBondContact O-N 2.93Å
500V58.8Low70.2Confident110 Ų110109.9 Ų109.967%0.66760%0.598SS**  trans-75.378.3179.5-175.10000109.6A497 V502A497-V500 WeakPolarHBondContact O-CB 3.42Å; A497-V500 WeakPolarHBondContact O-CG2 3.23Å; A497-V500 PolarHBondContact O-N 3.36Å; V500-V502 PolarHBondContact O-N 3.18Å
501K57.2Low68.9Low197 Ų197113.3 Ų113.386%0.85760%0.603SS**  trans-60.595.3171.8-177.1174.9-176.4171.70109.1D499 K503D499-K501 PolarHBondContact O-N 2.93Å; K501-K503 PolarHBondContact O-N 2.83Å
502V46.5Very low67.5Low130 Ų130116.1 Ų116.179%0.78862%0.621SS**  trans-51110.6179.8-174.90000108.9V500 K504V500-V502 PolarHBondContact O-N 3.18Å; V502-K504 VanDerWaalsContact C-N 3.33Å; V502-K504 PolarHBondContact O-N 3.29Å
503K47.3Very low65.9Low198 Ų198123.1 Ų123.186%0.86166%0.658SS**  trans-70.493.5179.9180-175.7174.7-175.80107.5K501 E505K501-K503 PolarHBondContact O-N 2.83Å; K503-E505 PolarHBondContact O-N 2.61Å; K503-E505 VanDerWaalsContact O-N 3.1Å
504K52.5Low64.1Low195 Ų195127.5 Ų127.585%0.84867%0.671SS**  trans-34.4115.6-177.8178.2174.7177176.10110.7V502V502-K504 VanDerWaalsContact C-N 3.33Å; V502-K504 PolarHBondContact O-N 3.29Å
505E45Very low62.1Low174 Ų174130 Ų13081%0.81368%0.678SS**  trans-59.6143.5-179.4-163.4167.2151.700110.1K503K503-E505 PolarHBondContact O-N 2.61Å; K503-E505 VanDerWaalsContact O-N 3.1Å
506R53.7Low59.8Low240 Ų240139.6 Ų139.691%0.90673%0.728SS**  trans-96.299.3176178.7174.8172.1169.4-2.5107
507D43.2Very low57.2Low143 Ų143147.5 Ų147.577%0.76577%0.769SS**  trans-49146.6175.1-138.2-138.3000111.3
508P64.9Low54.6Low190 Ų190155.5 Ų155.5100%1.23480%0.795SS**  trans-76.20-161.330.3-36.2000115.9

Retrieved 508 of 508 residues in 395.8 ms (Link to these results)