A0A093JSU0_STRCA Loading...

Zinc finger and BTB domain-containing protein 25

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A093JSU0, Species STRCA (Struthio camelus australis), Gene n/a, Length 434 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M59Low84.2Confident209 Ų20992.6 Ų92.6100%1.0353%0.526SS*.  0156.60-76-177.216800108.4
2D76.1Confident85Confident91 Ų9194 Ų9449%0.48752%0.524SS..  trans-62.7133.7163.4151.647000109.4T4 G5 H6D2-T4 PolarHBondContact O-N 2.89Å; D2-T4 WeakPolarHBondContact OD1-CB 3.41Å; D2-T4 PolarHBondContact OD1-N 3.29Å; D2-T4 PolarHBondContact OD1-OG1 3.41Å; D2-T4 WeakPolarHBondContact OD2-CB 3.45Å; D2-T4 PolarHBondContact OD2-OG1 3.11Å; D2-G5 PolarHBondContact O-N 2.78Å; D2-G5 PolarHBondContact OD2-N 3.06Å; D2-H6 PolarHBondContact O-N 3.35Å; D2-H6 VanDerWaalsContact O-N 3.11Å
3P74.8Confident85.7Confident102 Ų10292.3 Ų92.366%0.66251%0.51SS*.Hα-helixtrans-59.3-29.5177.624.4-35.2000113.3H6 S7P3-H6 PolarHBondContact O-N 3.39Å; P3-S7 PolarHBondContact O-N 2.91Å; P3-S7 VanDerWaalsContact O-N 3.17Å
4T76Confident86.5Confident100 Ų10088.7 Ų88.761%0.61349%0.489SS*.Hα-helixtrans-67.8-42.5179.2-31.30000111.5D2 S7D2-T4 PolarHBondContact O-N 2.89Å; D2-T4 WeakPolarHBondContact OD1-CB 3.41Å; D2-T4 PolarHBondContact OD1-N 3.29Å; D2-T4 PolarHBondContact OD1-OG1 3.41Å; D2-T4 WeakPolarHBondContact OD2-CB 3.45Å; D2-T4 PolarHBondContact OD2-OG1 3.11Å; T4-S7 PolarHBondContact O-OG 3.34Å; T4-S7 VanDerWaalsContact O-OG 3.13Å
5G86.5Confident87.1Confident31 Ų3184.1 Ų84.132%0.3246%0.463SS..Hα-helixtrans-67-35.8170.500000113.7D2 L8 V9D2-G5 PolarHBondContact O-N 2.78Å; D2-G5 PolarHBondContact OD2-N 3.06Å; G5-L8 PolarHBondContact O-N 3.2Å; G5-V9 WeakPolarHBondContact O-CG2 3.48Å; G5-V9 PolarHBondContact O-N 2.88Å; G5-V9 VanDerWaalsContact O-N 3.15Å
6H90.9Very high87.5Confident107 Ų10781.4 Ų81.450%0.49545%0.447SS..Hα-helixtrans-64.7-44.7-178.8177.359.4000112.9D2 P3 L8 V9 L10D2-H6 PolarHBondContact O-N 3.35Å; D2-H6 VanDerWaalsContact O-N 3.11Å; P3-H6 PolarHBondContact O-N 3.39Å; H6-L8 VanDerWaalsContact C-N 3.33Å; H6-L8 PolarHBondContact O-N 2.83Å; H6-V9 PolarHBondContact O-N 2.73Å; H6-L10 WeakPolarHBondContact O-CB 3.38Å; H6-L10 PolarHBondContact O-N 3.27Å
7S90.6Very high87.9Confident68 Ų6879 Ų7948%0.47643%0.432SS..Hα-helixtrans-64.7-37.1179.359.90000112.4P3 T4 L10 L11P3-S7 PolarHBondContact O-N 2.91Å; P3-S7 VanDerWaalsContact O-N 3.17Å; T4-S7 PolarHBondContact O-OG 3.34Å; T4-S7 VanDerWaalsContact O-OG 3.13Å; S7-L10 PolarHBondContact O-N 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.36Å; S7-L11 PolarHBondContact O-N 2.85Å
8L90.8Very high88.4Confident95 Ų9576.3 Ų76.350%0.49741%0.414SS..Hα-helixtrans-64.4-45175.3-179.161.5000112.2G5 H6 L11 Q12G5-L8 PolarHBondContact O-N 3.2Å; H6-L8 VanDerWaalsContact C-N 3.33Å; H6-L8 PolarHBondContact O-N 2.83Å; L8-L11 PolarHBondContact O-N 3.35Å; L8-Q12 WeakPolarHBondContact O-CB 3.43Å; L8-Q12 PolarHBondContact O-N 2.83Å
9V92.3Very high88.7Confident85 Ų8578.3 Ų78.352%0.51542%0.42SS..Hα-helixtrans-64.8-40.8176.9172.10000111.3G5 H6 Q12 Q13G5-V9 WeakPolarHBondContact O-CG2 3.48Å; G5-V9 PolarHBondContact O-N 2.88Å; G5-V9 VanDerWaalsContact O-N 3.15Å; H6-V9 PolarHBondContact O-N 2.73Å; V9-Q12 PolarHBondContact O-N 3.1Å; V9-Q13 WeakPolarHBondContact O-CB 3.33Å; V9-Q13 PolarHBondContact O-N 2.99Å
10L94Very high88.7Confident91 Ų9179.5 Ų79.548%0.47642%0.422SS..Hα-helixtrans-61-46.9174.6176.761.5000111.6H6 S7 Q13 L14H6-L10 WeakPolarHBondContact O-CB 3.38Å; H6-L10 PolarHBondContact O-N 3.27Å; S7-L10 PolarHBondContact O-N 3.27Å; L10-Q13 PolarHBondContact O-N 3.03Å; L10-L14 HydrophobicContact CD1-CD1 4.36Å; L10-L14 HydrophobicContact CD1-CG 4.47Å; L10-L14 HydrophobicContact CG-CD1 4.24Å; L10-L14 WeakPolarHBondContact O-CG 3.28Å; L10-L14 PolarHBondContact O-N 2.86Å
11L94.6Very high88.8Confident40 Ų4077.3 Ų77.321%0.20942%0.418CS..Hα-helixtrans-64.2-42.8179.5-17362.7000111.7S7 L8 Q13 L14 N15 Y81S7-L11 WeakPolarHBondContact O-CB 3.36Å; S7-L11 PolarHBondContact O-N 2.85Å; L8-L11 PolarHBondContact O-N 3.35Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 2.96Å; L11-L14 PolarHBondContact O-N 3.28Å; L11-N15 PolarHBondContact O-N 3.06Å; L11-Y81 WeakPolarHBondContact CG-O 3.48Å
12Q93.8Very high90.2Very high109 Ų10970.1 Ų70.151%0.50938%0.382SS..Hα-helixtrans-59.6-42.4173.9-175.7177400111.8L8 V9 N15 M16L8-Q12 WeakPolarHBondContact O-CB 3.43Å; L8-Q12 PolarHBondContact O-N 2.83Å; V9-Q12 PolarHBondContact O-N 3.1Å; Q12-N15 WeakPolarHBondContact O-CB 3.49Å; Q12-N15 PolarHBondContact O-N 3.49Å; Q12-M16 WeakPolarHBondContact O-CG 3.35Å; Q12-M16 PolarHBondContact O-N 3.09Å
13Q95Very high91Very high72 Ų7271 Ų7134%0.33639%0.386SS..Hα-helixtrans-67.4-38.6177.4-169.464.75.100111.9V9 L10 L11 N15 M16 Q17V9-Q13 WeakPolarHBondContact O-CB 3.33Å; V9-Q13 PolarHBondContact O-N 2.99Å; L10-Q13 PolarHBondContact O-N 3.03Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 2.96Å; Q13-N15 VanDerWaalsContact C-N 3.33Å; Q13-N15 PolarHBondContact O-N 2.92Å; Q13-M16 WeakPolarHBondContact O-CB 3.45Å; Q13-M16 PolarHBondContact O-N 3.34Å; Q13-Q17 VanDerWaalsContact O-CG 3.28Å; Q13-Q17 WeakPolarHBondContact O-CG 3.47Å; Q13-Q17 PolarHBondContact O-N 3.48Å
14L96.1Very high92Very high42 Ų4267.4 Ų67.422%0.2236%0.362CS..Hα-helixtrans-64.7-35.2173.6-70.7169.5000112.4L10 L11 R18 V41 Y81L10-L14 HydrophobicContact CD1-CD1 4.36Å; L10-L14 HydrophobicContact CD1-CG 4.47Å; L10-L14 HydrophobicContact CG-CD1 4.24Å; L10-L14 WeakPolarHBondContact O-CG 3.28Å; L10-L14 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 3.28Å; L14-R18 WeakPolarHBondContact O-CB 3.19Å; L14-R18 PolarHBondContact O-N 2.89Å; L14-V41 HydrophobicContact CD1-CG2 4.23Å; L14-Y81 HydrophobicContact CB-CD1 4.4Å; L14-Y81 HydrophobicContact CB-CE1 4.34Å
15N95.6Very high92.9Very high19 Ų1966.2 Ų66.210%0.10235%0.353CS..Hα-helixtrans-64.7-45.4172.7-174.586.8000111.6L11 Q12 Q13 R18 E19 Y81L11-N15 PolarHBondContact O-N 3.06Å; Q12-N15 WeakPolarHBondContact O-CB 3.49Å; Q12-N15 PolarHBondContact O-N 3.49Å; Q13-N15 VanDerWaalsContact C-N 3.33Å; Q13-N15 PolarHBondContact O-N 2.92Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.03Å; N15-R18 VanDerWaalsContact OD1-CZ 3.24Å; N15-R18 PolarHBondContact OD1-NH1 3.38Å; N15-R18 VanDerWaalsContact OD1-NH1 3.09Å; N15-R18 PolarHBondContact OD1-NH2 3.23Å; N15-E19 PolarHBondContact ND2-OE1 3.48Å; N15-E19 PolarHBondContact O-N 3.37Å; N15-Y81 HydrophobicContact CB-CD1 4.32Å; N15-Y81 WeakPolarHBondContact OD1-CB 3.25Å
16M93.9Very high93.4Very high41 Ų4164.9 Ų64.920%0.20234%0.338CS..Hα-helixtrans-58.5-49.1174.1-71.6-69.9-71.800111.5Q12 Q13 R18 E19 F20 Y244Q12-M16 WeakPolarHBondContact O-CG 3.35Å; Q12-M16 PolarHBondContact O-N 3.09Å; Q13-M16 WeakPolarHBondContact O-CB 3.45Å; Q13-M16 PolarHBondContact O-N 3.34Å; M16-R18 VanDerWaalsContact C-N 3.3Å; M16-R18 PolarHBondContact O-N 3.16Å; M16-E19 PolarHBondContact O-N 2.91Å; M16-E19 VanDerWaalsContact O-N 3.16Å; M16-F20 HydrophobicContact CE-CE2 3.88Å; M16-F20 VanDerWaalsContact O-CD2 3.23Å; M16-F20 WeakPolarHBondContact O-CD2 3.5Å; M16-F20 PolarHBondContact O-N 3.5Å; M16-Y244 HydrophobicContact CE-CE2 3.99Å; M16-Y244 VanDerWaalsContact CE-OH 3.29Å; M16-Y244 WeakPolarHBondContact CE-OH 3.31Å
17Q94.6Very high93.7Very high41 Ų4160.7 Ų60.719%0.19232%0.32CS..Hα-helixtrans-56.4-44.5177.3-69.8177.74.800111.5Q13 E19 F20 G21 F22Q13-Q17 VanDerWaalsContact O-CG 3.28Å; Q13-Q17 WeakPolarHBondContact O-CG 3.47Å; Q13-Q17 PolarHBondContact O-N 3.48Å; Q17-E19 PolarHBondContact O-N 3.41Å; Q17-F20 PolarHBondContact O-N 2.93Å; Q17-G21 CarbonylContact O-C 3.58Å; Q17-G21 PolarHBondContact O-N 3.39Å; Q17-G21 VanDerWaalsContact O-N 3.08Å; Q17-F22 HydrophobicContact CG-CD1 4.07Å; Q17-F22 PolarHBondContact O-N 3.16Å
18R96.5Very high94Very high30 Ų3057.5 Ų57.511%0.11330%0.298CS..Hα-helixtrans-58.9-43.8176.5-170.8-153.564.1-140.9-13.2112.6L14 N15 M16 F20 G21 K36 Y81L14-R18 WeakPolarHBondContact O-CB 3.19Å; L14-R18 PolarHBondContact O-N 2.89Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.03Å; N15-R18 VanDerWaalsContact OD1-CZ 3.24Å; N15-R18 PolarHBondContact OD1-NH1 3.38Å; N15-R18 VanDerWaalsContact OD1-NH1 3.09Å; N15-R18 PolarHBondContact OD1-NH2 3.23Å; M16-R18 VanDerWaalsContact C-N 3.3Å; M16-R18 PolarHBondContact O-N 3.16Å; R18-F20 VanDerWaalsContact C-N 3.34Å; R18-F20 PolarHBondContact O-N 3.46Å; R18-G21 PolarHBondContact O-N 2.88Å; R18-K36 WeakPolarHBondContact CG-O 3.4Å; R18-Y81 HydrophobicContact CB-CD1 4.29Å; R18-Y81 HydrophobicContact CB-CE1 3.88Å; R18-Y81 HydrophobicContact CG-CE1 4.2Å
19E93.1Very high94.3Very high114 Ų11453.2 Ų53.253%0.53328%0.276SS..Hα-helixtrans-68.8-29.3-177.2-76.2171.1-162.800113.6N15 M16 Q17 G21N15-E19 PolarHBondContact ND2-OE1 3.48Å; N15-E19 PolarHBondContact O-N 3.37Å; M16-E19 PolarHBondContact O-N 2.91Å; M16-E19 VanDerWaalsContact O-N 3.16Å; Q17-E19 PolarHBondContact O-N 3.41Å; E19-G21 VanDerWaalsContact C-N 3.35Å
20F90.5Very high94.6Very high102 Ų10249.2 Ų49.245%0.44725%0.252SS..THydrogen-bonded Turntrans-87.8-1.6169-63.9-72.2000113.6M16 Q17 R18 F22 L259M16-F20 HydrophobicContact CE-CE2 3.88Å; M16-F20 VanDerWaalsContact O-CD2 3.23Å; M16-F20 WeakPolarHBondContact O-CD2 3.5Å; M16-F20 PolarHBondContact O-N 3.5Å; Q17-F20 PolarHBondContact O-N 2.93Å; R18-F20 VanDerWaalsContact C-N 3.34Å; R18-F20 PolarHBondContact O-N 3.46Å; F20-F22 PolarHBondContact O-N 2.91Å; F20-L259 HydrophobicContact CZ-CD1 4.22Å
21G89.7Confident94.5Very high34 Ų3447 Ų4735%0.35125%0.251SS..THydrogen-bonded Turntrans67.410.3-173.800000114.4Q17 R18 E19Q17-G21 CarbonylContact O-C 3.58Å; Q17-G21 PolarHBondContact O-N 3.39Å; Q17-G21 VanDerWaalsContact O-N 3.08Å; R18-G21 PolarHBondContact O-N 2.88Å; E19-G21 VanDerWaalsContact C-N 3.35Å
22F88.2Confident94.5Very high59 Ų5951.5 Ų51.526%0.25928%0.275SS..THydrogen-bonded Turntrans-72.7140-179.2-174.2-110.7000110.3Q17 F20 C24 H38 V271 I275Q17-F22 HydrophobicContact CG-CD1 4.07Å; Q17-F22 PolarHBondContact O-N 3.16Å; F20-F22 PolarHBondContact O-N 2.91Å; F22-C24 PolarHBondContact O-N 3.23Å; F22-H38 PolarHBondContact O-NE2 3.44Å; F22-V271 HydrophobicContact CE1-CG1 4.33Å; F22-V271 HydrophobicContact CE1-CG2 3.97Å; F22-V271 HydrophobicContact CE2-CG1 4.01Å; F22-V271 HydrophobicContact CZ-CB 4.35Å; F22-V271 HydrophobicContact CZ-CG1 3.49Å; F22-V271 VanDerWaalsContact CZ-CG1 3.49Å; F22-V271 HydrophobicContact CZ-CG2 3.89Å; F22-I275 HydrophobicContact CE2-CD1 4.3Å; F22-I275 HydrophobicContact CE2-CG2 4.29Å
23L93Very high94.6Very high110 Ų11048.7 Ų48.758%0.57627%0.265SS*.THydrogen-bonded Turntrans53.46.4-176.4-63.4173.1000116.8D25 H38L23-D25 PolarHBondContact O-N 3.45Å; L23-H38 PolarHBondContact O-CD2 3.48Å
24C95.7Very high94.7Very high25 Ų2552.8 Ų52.817%0.16928%0.279CS..  trans-68.7102.7177.7-71.10000111.5F22 C26 K36F22-C24 PolarHBondContact O-N 3.23Å; C24-C26 VanDerWaalsContact C-N 3.3Å; C24-K36 HydrophobicContact CB-CB 4.12Å; C24-K36 HydrophobicContact CB-CD 4.49Å
25D95.9Very high94.8Very high76 Ų7651.9 Ų51.941%0.40627%0.273SS..  trans-88.28.2178.267-28.2000113.4L23 A37 H38 R39L23-D25 PolarHBondContact O-N 3.45Å; D25-A37 PolarHBondContact N-O 3.45Å; D25-H38 VanDerWaalsContact OD1-CA 3.26Å; D25-H38 WeakPolarHBondContact OD1-CA 3.46Å; D25-R39 HydrophobicContact CB-CG 4.46Å; D25-R39 VanDerWaalsContact CG-CG 3.48Å; D25-R39 WeakPolarHBondContact OD1-CG 3.45Å; D25-R39 PolarHBondContact OD1-N 3.28Å; D25-R39 WeakPolarHBondContact OD2-CB 3.46Å; D25-R39 WeakPolarHBondContact OD2-CD 3.39Å; D25-R39 VanDerWaalsContact OD2-CG 3.29Å; D25-R39 WeakPolarHBondContact OD2-CG 3.25Å
26C95.9Very high94.9Very high2 Ų256 Ų561%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-136.9148.3171-167.50000112.8C24 A37 R39 F53 E59C24-C26 VanDerWaalsContact C-N 3.3Å; C26-A37 WeakPolarHBondContact CA-O 3.41Å; C26-A37 WeakPolarHBondContact CB-O 3.49Å; C26-A37 PolarHBondContact N-O 3.4Å; C26-A37 PolarHBondContact O-N 2.87Å; C26-A37 VanDerWaalsContact O-O 3.07Å; C26-R39 HydrophobicContact CB-CG 3.77Å; C26-F53 HydrophobicContact CB-CE1 4.46Å; C26-F53 HydrophobicContact CB-CZ 4.2Å; C26-E59 CarbonylContact C-O 3.51Å; C26-E59 WeakPolarHBondContact CA-O 3.29Å
27T97.1Very high95.1Very high20 Ų2054 Ų5412%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-124126.9159.5-47.60000108.9Y34 F35 K36 E59 C60 I61T27-Y34 HydrophobicContact CG2-CD1 4.29Å; T27-F35 CarbonylContact C-O 3.6Å; T27-F35 VanDerWaalsContact CA-O 3.31Å; T27-F35 WeakPolarHBondContact CA-O 3.45Å; T27-K36 HydrophobicContact CG2-CD 4.33Å; T27-K36 PolarHBondContact OG1-NZ 2.66Å; T27-E59 PolarHBondContact N-O 3.13Å; T27-C60 CarbonylContact O-C 3.51Å; T27-C60 WeakPolarHBondContact O-CA 3.16Å; T27-I61 PolarHBondContact O-N 3.05Å
28V97.7Very high95.2Very high0 Ų052.7 Ų52.70%027%0.274CS..EExtended strand (participates in β ladder)trans-99124.1170.1-176.30000107.9I30 F35 L42 F49 I63 F73V28-I30 HydrophobicContact CG1-CD1 4.32Å; V28-I30 HydrophobicContact CG1-CG1 4.09Å; V28-F35 HydrophobicContact CB-CB 4.43Å; V28-F35 PolarHBondContact N-O 3.41Å; V28-F35 PolarHBondContact O-N 2.98Å; V28-L42 HydrophobicContact CG2-CD1 4.01Å; V28-F49 HydrophobicContact CG1-CZ 4.29Å; V28-F49 HydrophobicContact CG2-CE1 3.79Å; V28-F49 HydrophobicContact CG2-CZ 3.9Å; V28-I63 HydrophobicContact CG1-CD1 3.65Å; V28-I63 HydrophobicContact CG1-CG1 4.16Å; V28-F73 HydrophobicContact CB-CE1 4.06Å; V28-F73 HydrophobicContact CB-CZ 3.99Å; V28-F73 HydrophobicContact CG1-CE1 4.12Å; V28-F73 HydrophobicContact CG1-CE2 4.35Å; V28-F73 HydrophobicContact CG1-CZ 3.91Å; V28-F73 HydrophobicContact CG2-CE1 4.45Å; V28-F73 HydrophobicContact CG2-CZ 3.96Å
29A97.5Very high95.2Very high6 Ų654.3 Ų54.35%0.0528%0.28CS..EExtended strand (participates in β ladder)trans-108.2125.5178.500000109.7V33 Y34 I61 K62 I63A29-V33 WeakPolarHBondContact CA-O 3.44Å; A29-Y34 HydrophobicContact CB-CD1 3.66Å; A29-Y34 HydrophobicContact CB-CE1 3.66Å; A29-I61 PolarHBondContact N-O 3.46Å; A29-K62 HydrophobicContact CB-CG 4.42Å; A29-K62 WeakPolarHBondContact O-CA 3.41Å; A29-I63 PolarHBondContact O-N 3.17Å
30I97.3Very high95.4Very high0 Ų052.5 Ų52.50%029%0.285CS..EExtended strand (participates in β ladder)trans-12998.3-179.6-50.8-178.6000107.2V28 D32 V33 F35 I63 P65 I68 P70 F73V28-I30 HydrophobicContact CG1-CD1 4.32Å; V28-I30 HydrophobicContact CG1-CG1 4.09Å; I30-D32 PolarHBondContact O-N 3.29Å; I30-V33 PolarHBondContact N-O 2.73Å; I30-V33 PolarHBondContact O-N 3.45Å; I30-V33 VanDerWaalsContact O-N 3.12Å; I30-F35 HydrophobicContact CB-CE2 4.44Å; I30-F35 HydrophobicContact CD1-CD2 4.27Å; I30-F35 HydrophobicContact CD1-CE2 3.93Å; I30-F35 HydrophobicContact CG1-CD2 4.42Å; I30-F35 HydrophobicContact CG1-CE2 4.22Å; I30-I63 HydrophobicContact CG1-CB 4.37Å; I30-P65 HydrophobicContact CG2-CG 4.3Å; I30-I68 HydrophobicContact CD1-CG2 4.22Å; I30-I68 VanDerWaalsContact CG2-O 3.25Å; I30-I68 WeakPolarHBondContact CG2-O 3.19Å; I30-P70 HydrophobicContact CB-CG 4.18Å; I30-P70 HydrophobicContact CG2-CG 3.8Å; I30-F73 HydrophobicContact CD1-CB 3.37Å; I30-F73 HydrophobicContact CD1-CD1 3.69Å; I30-F73 HydrophobicContact CD1-CD2 3.97Å; I30-F73 HydrophobicContact CD1-CE1 4.5Å; I30-F73 HydrophobicContact CD1-CG 3.37Å
31G93.6Very high95.7Very high44 Ų4448.3 Ų48.345%0.45427%0.268SS..THydrogen-bonded Turntrans63.3-120.4-166.300000111.1
32D93.6Very high96Very high136 Ų13646.7 Ų46.773%0.72725%0.251SS*.THydrogen-bonded Turntrans-91.7-6.3175.863.4-34.9000113.9I30 Y34I30-D32 PolarHBondContact O-N 3.29Å; D32-Y34 VanDerWaalsContact O-CD2 3.26Å; D32-Y34 WeakPolarHBondContact O-CD2 3.43Å; D32-Y34 WeakPolarHBondContact O-CE2 3.41Å
33V96.9Very high96.4Very high50 Ų5045.2 Ų45.230%0.30325%0.25SC..EExtended strand (participates in β ladder)trans-92.6131.5-177.7-169.60000111.1A29 I30 F35 P70A29-V33 WeakPolarHBondContact CA-O 3.44Å; I30-V33 PolarHBondContact N-O 2.73Å; I30-V33 PolarHBondContact O-N 3.45Å; I30-V33 VanDerWaalsContact O-N 3.12Å; V33-F35 HydrophobicContact CB-CE2 4.08Å; V33-F35 HydrophobicContact CB-CZ 4.39Å; V33-F35 HydrophobicContact CG1-CD2 4.32Å; V33-F35 HydrophobicContact CG1-CE1 4.21Å; V33-F35 HydrophobicContact CG1-CE2 3.54Å; V33-F35 HydrophobicContact CG1-CZ 3.48Å; V33-F35 VanDerWaalsContact CG1-CZ 3.48Å; V33-P70 HydrophobicContact CB-CB 4.02Å; V33-P70 HydrophobicContact CB-CG 4.26Å; V33-P70 HydrophobicContact CG1-CB 4.26Å; V33-P70 HydrophobicContact CG2-CB 3.85Å; V33-P70 HydrophobicContact CG2-CG 3.91Å
34Y96.7Very high96.5Very high157 Ų15743.6 Ų43.662%0.61625%0.252SS*.EExtended strand (participates in β ladder)trans-118.8125.5-177.4-58.4-83.7000112.3T27 A29 D32T27-Y34 HydrophobicContact CG2-CD1 4.29Å; A29-Y34 HydrophobicContact CB-CD1 3.66Å; A29-Y34 HydrophobicContact CB-CE1 3.66Å; D32-Y34 VanDerWaalsContact O-CD2 3.26Å; D32-Y34 WeakPolarHBondContact O-CD2 3.43Å; D32-Y34 WeakPolarHBondContact O-CE2 3.41Å
35F97.8Very high96.5Very high23 Ų2345.3 Ų45.310%0.10126%0.257CS..EExtended strand (participates in β ladder)trans-112.5119.4-179.5-59.7-87.3000110.6T27 V28 I30 V33 P70 F73 L77T27-F35 CarbonylContact C-O 3.6Å; T27-F35 VanDerWaalsContact CA-O 3.31Å; T27-F35 WeakPolarHBondContact CA-O 3.45Å; V28-F35 HydrophobicContact CB-CB 4.43Å; V28-F35 PolarHBondContact N-O 3.41Å; V28-F35 PolarHBondContact O-N 2.98Å; I30-F35 HydrophobicContact CB-CE2 4.44Å; I30-F35 HydrophobicContact CD1-CD2 4.27Å; I30-F35 HydrophobicContact CD1-CE2 3.93Å; I30-F35 HydrophobicContact CG1-CD2 4.42Å; I30-F35 HydrophobicContact CG1-CE2 4.22Å; V33-F35 HydrophobicContact CB-CE2 4.08Å; V33-F35 HydrophobicContact CB-CZ 4.39Å; V33-F35 HydrophobicContact CG1-CD2 4.32Å; V33-F35 HydrophobicContact CG1-CE1 4.21Å; V33-F35 HydrophobicContact CG1-CE2 3.54Å; V33-F35 HydrophobicContact CG1-CZ 3.48Å; V33-F35 VanDerWaalsContact CG1-CZ 3.48Å; F35-P70 HydrophobicContact CE2-CB 4.3Å; F35-P70 HydrophobicContact CZ-CB 4.1Å; F35-P70 WeakPolarHBondContact CZ-O 3.23Å; F35-F73 HydrophobicContact CB-CD1 4.28Å; F35-F73 HydrophobicContact CB-CE1 3.75Å; F35-F73 AromaticContact CD1-CD1 4Å; F35-F73 HydrophobicContact CD1-CD1 4Å; F35-F73 HydrophobicContact CD1-CE1 4.23Å; F35-F73 AromaticContact CD2-CD1 3.49Å; F35-F73 HydrophobicContact CD2-CD1 3.49Å; F35-F73 VanDerWaalsContact CD2-CD1 3.49Å; F35-F73 AromaticContact CD2-CE1 3.78Å; F35-F73 HydrophobicContact CD2-CE1 3.78Å; F35-F73 HydrophobicContact CE1-CD1 4.19Å; F35-F73 AromaticContact CE2-CD1 3.71Å; F35-F73 HydrophobicContact CE2-CD1 3.71Å; F35-F73 HydrophobicContact CE2-CE1 4.45Å; F35-F73 AromaticContact CG-CD1 3.65Å; F35-F73 HydrophobicContact CG-CD1 3.65Å; F35-F73 AromaticContact CG-CE1 3.65Å; F35-F73 HydrophobicContact CG-CE1 3.65Å; F35-F73 HydrophobicContact CZ-CD1 4.05Å; F35-L77 HydrophobicContact CB-CD2 4Å; F35-L77 HydrophobicContact CD1-CD2 3.95Å; F35-L77 HydrophobicContact CG-CD2 4.32Å
36K97.3Very high96.5Very high105 Ų10541.8 Ų41.846%0.45724%0.238SC..EExtended strand (participates in β ladder)trans-78.2136.7170.5-67.6-63.3-178.2-177.30110.3R18 C24 T27R18-K36 WeakPolarHBondContact CG-O 3.4Å; C24-K36 HydrophobicContact CB-CB 4.12Å; C24-K36 HydrophobicContact CB-CD 4.49Å; T27-K36 HydrophobicContact CG2-CD 4.33Å; T27-K36 PolarHBondContact OG1-NZ 2.66Å
37A97.9Very high96.5Very high0 Ų045.4 Ų45.40%026%0.258CS..EExtended strand (participates in β ladder)trans-156.3161.4-178.800000112.2D25 C26 L42 L77D25-A37 PolarHBondContact N-O 3.45Å; C26-A37 WeakPolarHBondContact CA-O 3.41Å; C26-A37 WeakPolarHBondContact CB-O 3.49Å; C26-A37 PolarHBondContact N-O 3.4Å; C26-A37 PolarHBondContact O-N 2.87Å; C26-A37 VanDerWaalsContact O-O 3.07Å; A37-L42 HydrophobicContact CB-CD1 3.7Å; A37-L42 HydrophobicContact CB-CD2 4.37Å; A37-L42 HydrophobicContact CB-CG 4Å; A37-L77 HydrophobicContact CB-CD1 4.38Å
38H97.4Very high96.5Very high13 Ų1347 Ų476%0.0626%0.262CS..  trans-90.8131.2167.5-49.391.1000110.3F22 L23 D25 A40 V41 L42 Y81F22-H38 PolarHBondContact O-NE2 3.44Å; L23-H38 PolarHBondContact O-CD2 3.48Å; D25-H38 VanDerWaalsContact OD1-CA 3.26Å; D25-H38 WeakPolarHBondContact OD1-CA 3.46Å; H38-A40 PolarHBondContact O-N 2.95Å; H38-V41 HydrophobicContact CB-CG2 4.17Å; H38-V41 PolarHBondContact O-N 2.94Å; H38-L42 PolarHBondContact O-N 3.39Å; H38-Y81 PolarHBondContact N-OH 3.38Å; H38-Y81 AromaticContact ND1-CE1 3.56Å; H38-Y81 AromaticContact ND1-CZ 3.74Å; H38-Y81 PolarHBondContact ND1-OH 3.17Å
39R96.4Very high96.4Very high64 Ų6447 Ų4724%0.24226%0.262CS..Hα-helixtrans-57.2-39.2179.1-64.517769.4179.40.9112D25 C26 V41 L42 A43 F53D25-R39 HydrophobicContact CB-CG 4.46Å; D25-R39 VanDerWaalsContact CG-CG 3.48Å; D25-R39 WeakPolarHBondContact OD1-CG 3.45Å; D25-R39 PolarHBondContact OD1-N 3.28Å; D25-R39 WeakPolarHBondContact OD2-CB 3.46Å; D25-R39 WeakPolarHBondContact OD2-CD 3.39Å; D25-R39 VanDerWaalsContact OD2-CG 3.29Å; D25-R39 WeakPolarHBondContact OD2-CG 3.25Å; C26-R39 HydrophobicContact CB-CG 3.77Å; R39-V41 PolarHBondContact O-N 2.73Å; R39-L42 PolarHBondContact O-N 3.4Å; R39-A43 VanDerWaalsContact O-CB 3.28Å; R39-A43 WeakPolarHBondContact O-CB 3.23Å; R39-A43 PolarHBondContact O-N 3.23Å; R39-F53 HydrophobicContact CB-CD2 3.97Å; R39-F53 HydrophobicContact CB-CE1 4.28Å; R39-F53 HydrophobicContact CB-CE2 3.72Å; R39-F53 HydrophobicContact CB-CG 4.4Å; R39-F53 HydrophobicContact CB-CZ 3.9Å; R39-F53 HydrophobicContact CG-CD1 4.1Å; R39-F53 HydrophobicContact CG-CD2 4.36Å; R39-F53 HydrophobicContact CG-CE1 3.64Å; R39-F53 HydrophobicContact CG-CE2 3.98Å; R39-F53 HydrophobicContact CG-CG 4.45Å; R39-F53 HydrophobicContact CG-CZ 3.61Å; R39-F53 PolarHBondContact NH2-O 3.42Å; R39-F53 VanDerWaalsContact NH2-O 3.09Å
40A96.5Very high96.3Very high77 Ų7751.9 Ų51.964%0.63628%0.282SS*.Hα-helixtrans-61.3-41.3179.900000113.2H38 A44H38-A40 PolarHBondContact O-N 2.95Å; A40-A44 WeakPolarHBondContact O-CB 3.17Å; A40-A44 PolarHBondContact O-N 3.49Å
41V96.8Very high96.2Very high14 Ų1456.1 Ų56.19%0.08530%0.303CS..Hα-helixtrans-71.3-45.6179.1-179.50000110.4L14 H38 R39 A43 A44 F45 M80 Y81L14-V41 HydrophobicContact CD1-CG2 4.23Å; H38-V41 HydrophobicContact CB-CG2 4.17Å; H38-V41 PolarHBondContact O-N 2.94Å; R39-V41 PolarHBondContact O-N 2.73Å; V41-A43 PolarHBondContact O-N 3.36Å; V41-A44 PolarHBondContact O-N 2.67Å; V41-F45 HydrophobicContact CG1-CD2 4.1Å; V41-F45 HydrophobicContact CG1-CE2 4.2Å; V41-F45 WeakPolarHBondContact O-CD2 3.48Å; V41-F45 PolarHBondContact O-N 2.94Å; V41-M80 HydrophobicContact CG1-CB 4.31Å; V41-Y81 HydrophobicContact CB-CE1 4.41Å; V41-Y81 HydrophobicContact CB-CE2 4.03Å; V41-Y81 HydrophobicContact CG1-CD2 3.91Å; V41-Y81 HydrophobicContact CG1-CE1 4.26Å; V41-Y81 HydrophobicContact CG1-CE2 3.51Å; V41-Y81 HydrophobicContact CG1-CG 4.43Å; V41-Y81 HydrophobicContact CG2-CE1 4.12Å
42L96.9Very high96.2Very high0 Ų055.2 Ų55.20%029%0.287CS..Hα-helixtrans-59.6-44.8177-69.7179.6000111.9V28 A37 H38 R39 A44 F45 S46 F49 F53 L77 M80V28-L42 HydrophobicContact CG2-CD1 4.01Å; A37-L42 HydrophobicContact CB-CD1 3.7Å; A37-L42 HydrophobicContact CB-CD2 4.37Å; A37-L42 HydrophobicContact CB-CG 4Å; H38-L42 PolarHBondContact O-N 3.39Å; R39-L42 PolarHBondContact O-N 3.4Å; L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 2.97Å; L42-F45 PolarHBondContact O-N 2.83Å; L42-S46 WeakPolarHBondContact O-CB 3.39Å; L42-S46 PolarHBondContact O-N 3.44Å; L42-F49 HydrophobicContact CB-CB 3.87Å; L42-F49 HydrophobicContact CB-CD2 3.88Å; L42-F49 HydrophobicContact CB-CG 3.85Å; L42-F49 HydrophobicContact CD1-CD1 4.19Å; L42-F49 HydrophobicContact CD1-CD2 4.36Å; L42-F49 HydrophobicContact CD1-CE1 4.29Å; L42-F49 HydrophobicContact CD1-CE2 4.46Å; L42-F49 HydrophobicContact CD1-CG 4.25Å; L42-F49 HydrophobicContact CD1-CZ 4.43Å; L42-F49 HydrophobicContact CD2-CD2 4.01Å; L42-F49 HydrophobicContact CD2-CE2 3.98Å; L42-F49 HydrophobicContact CG-CD2 4.3Å; L42-F49 HydrophobicContact CG-CG 4.48Å; L42-F53 HydrophobicContact CB-CE2 4Å; L42-F53 HydrophobicContact CD1-CE2 4.36Å; L42-F53 HydrophobicContact CD1-CZ 4.1Å; L42-L77 HydrophobicContact CD2-CD1 3.88Å; L42-M80 HydrophobicContact CD2-SD 3.86Å
43A96.3Very high96.2Very high27 Ų2750 Ų5022%0.22326%0.258CS..Hα-helixtrans-70.8-17.117900000114.5R39 V41 K50 F53R39-A43 VanDerWaalsContact O-CB 3.28Å; R39-A43 WeakPolarHBondContact O-CB 3.23Å; R39-A43 PolarHBondContact O-N 3.23Å; V41-A43 PolarHBondContact O-N 3.36Å; A43-K50 HydrophobicContact CB-CB 4.21Å; A43-K50 HydrophobicContact CB-CG 4.44Å; A43-F53 HydrophobicContact CB-CD2 4.23Å
44A95.7Very high96Very high77 Ų7753.1 Ų53.164%0.63627%0.272SS*.Hα-helixtrans-79.1-35.6174.900000112.3A40 V41 L42A40-A44 WeakPolarHBondContact O-CB 3.17Å; A40-A44 PolarHBondContact O-N 3.49Å; V41-A44 PolarHBondContact O-N 2.67Å; L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 2.97Å
45F95.2Very high95.4Very high60 Ų6052.4 Ų52.426%0.26327%0.274SS..Hα-helixtrans-104.4-9.1-175.5-68.6-71.4000115.1V41 L42 M80 A104 L107V41-F45 HydrophobicContact CG1-CD2 4.1Å; V41-F45 HydrophobicContact CG1-CE2 4.2Å; V41-F45 WeakPolarHBondContact O-CD2 3.48Å; V41-F45 PolarHBondContact O-N 2.94Å; L42-F45 PolarHBondContact O-N 2.83Å; F45-M80 HydrophobicContact CB-CE 4.15Å; F45-M80 HydrophobicContact CB-CG 3.76Å; F45-M80 HydrophobicContact CB-SD 4.16Å; F45-M80 HydrophobicContact CD2-CB 3.88Å; F45-M80 HydrophobicContact CD2-CG 3.95Å; F45-M80 HydrophobicContact CE2-CB 4.38Å; F45-M80 VanDerWaalsContact CE2-O 3.27Å; F45-M80 WeakPolarHBondContact CE2-O 3.44Å; F45-M80 HydrophobicContact CG-CB 4.38Å; F45-M80 HydrophobicContact CG-CG 3.97Å; F45-A104 VanDerWaalsContact O-CA 3.3Å; F45-A104 WeakPolarHBondContact O-CA 3.41Å; F45-A104 VanDerWaalsContact O-CB 3.27Å; F45-A104 WeakPolarHBondContact O-CB 3.46Å; F45-L107 HydrophobicContact CB-CD2 4.49Å; F45-L107 HydrophobicContact CD1-CD2 3.91Å; F45-L107 HydrophobicContact CG-CD2 4.41Å
46S96.6Very high94.8Very high2 Ų255.4 Ų55.41%0.01429%0.288CS..  trans-141.2122.7-176.8159.40000111.5L42 Y48 F49 K50 L102L42-S46 WeakPolarHBondContact O-CB 3.39Å; L42-S46 PolarHBondContact O-N 3.44Å; S46-Y48 VanDerWaalsContact C-N 3.32Å; S46-Y48 PolarHBondContact OG-N 3.46Å; S46-F49 PolarHBondContact O-N 3.37Å; S46-F49 VanDerWaalsContact OG-CD2 3.3Å; S46-F49 WeakPolarHBondContact OG-CD2 3.45Å; S46-F49 PolarHBondContact OG-N 3.12Å; S46-K50 PolarHBondContact O-N 3.44Å; S46-K50 VanDerWaalsContact O-N 3.08Å; S46-L102 WeakPolarHBondContact CB-O 3.19Å; S46-L102 PolarHBondContact OG-O 3.05Å
47N95.9Very high94.2Very high79 Ų7956.8 Ų56.842%0.42231%0.306SS..Hα-helixtrans-73.3-25.5176.6-163.962.8000112.3K50 M51 L102 H103N47-K50 PolarHBondContact O-N 2.92Å; N47-M51 WeakPolarHBondContact O-CG 3.48Å; N47-M51 PolarHBondContact O-N 3.03Å; N47-L102 PolarHBondContact N-O 3.13Å; N47-H103 HydrophobicContact CB-CB 3.82Å; N47-H103 PolarHBondContact N-O 2.88Å
48Y96.2Very high93.8Very high53 Ų5359.5 Ų59.521%0.20832%0.324CS..Hα-helixtrans-56.3-53.6169.3174.4-89.4000111.1S46 K50 M51 I52 I63 F101 L102S46-Y48 VanDerWaalsContact C-N 3.32Å; S46-Y48 PolarHBondContact OG-N 3.46Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 2.93Å; Y48-M51 PolarHBondContact O-N 2.82Å; Y48-I52 PolarHBondContact O-N 3.36Å; Y48-I63 HydrophobicContact CE1-CD1 4.03Å; Y48-I63 HydrophobicContact CE1-CG1 4.45Å; Y48-F101 HydrophobicContact CD2-CE1 4.44Å; Y48-F101 HydrophobicContact CD2-CZ 4.22Å; Y48-F101 HydrophobicContact CE1-CE1 4.48Å; Y48-F101 HydrophobicContact CE2-CE1 4.14Å; Y48-F101 HydrophobicContact CE2-CE2 4.2Å; Y48-F101 AromaticContact CE2-CZ 3.62Å; Y48-F101 HydrophobicContact CE2-CZ 3.62Å; Y48-F101 AromaticContact CZ-CZ 3.84Å; Y48-L102 VanDerWaalsContact CB-O 3.24Å; Y48-L102 WeakPolarHBondContact CB-O 3.33Å; Y48-L102 HydrophobicContact CD1-CD2 4Å; Y48-L102 HydrophobicContact CG-CD2 4.4Å; Y48-L102 PolarHBondContact N-O 3.05Å; Y48-L102 VanDerWaalsContact N-O 3.17Å
49F96.6Very high93.3Very high0 Ų065.5 Ų65.50%035%0.353CS..Hα-helixtrans-66.6-36.4178.4-73.4-59.9000112.4V28 L42 S46 M51 I52 F53 I61 I63 F73 L102V28-F49 HydrophobicContact CG1-CZ 4.29Å; V28-F49 HydrophobicContact CG2-CE1 3.79Å; V28-F49 HydrophobicContact CG2-CZ 3.9Å; L42-F49 HydrophobicContact CB-CB 3.87Å; L42-F49 HydrophobicContact CB-CD2 3.88Å; L42-F49 HydrophobicContact CB-CG 3.85Å; L42-F49 HydrophobicContact CD1-CD1 4.19Å; L42-F49 HydrophobicContact CD1-CD2 4.36Å; L42-F49 HydrophobicContact CD1-CE1 4.29Å; L42-F49 HydrophobicContact CD1-CE2 4.46Å; L42-F49 HydrophobicContact CD1-CG 4.25Å; L42-F49 HydrophobicContact CD1-CZ 4.43Å; L42-F49 HydrophobicContact CD2-CD2 4.01Å; L42-F49 HydrophobicContact CD2-CE2 3.98Å; L42-F49 HydrophobicContact CG-CD2 4.3Å; L42-F49 HydrophobicContact CG-CG 4.48Å; S46-F49 PolarHBondContact O-N 3.37Å; S46-F49 VanDerWaalsContact OG-CD2 3.3Å; S46-F49 WeakPolarHBondContact OG-CD2 3.45Å; S46-F49 PolarHBondContact OG-N 3.12Å; F49-M51 PolarHBondContact O-N 3.27Å; F49-I52 HydrophobicContact CD1-CG2 4.24Å; F49-I52 WeakPolarHBondContact O-CG2 3.43Å; F49-I52 PolarHBondContact O-N 3.03Å; F49-F53 HydrophobicContact CB-CD2 4.23Å; F49-F53 HydrophobicContact CB-CE2 3.83Å; F49-F53 HydrophobicContact CD1-CE2 4.35Å; F49-F53 HydrophobicContact CD1-CZ 4.24Å; F49-F53 HydrophobicContact CG-CE2 4.41Å; F49-F53 WeakPolarHBondContact O-CB 3.42Å; F49-F53 WeakPolarHBondContact O-CD2 3.44Å; F49-F53 VanDerWaalsContact O-CG 3.24Å; F49-F53 WeakPolarHBondContact O-CG 3.41Å; F49-F53 PolarHBondContact O-N 3.24Å; F49-I61 HydrophobicContact CD1-CD1 3.68Å; F49-I61 HydrophobicContact CE1-CD1 3.82Å; F49-I61 HydrophobicContact CE1-CG2 4.42Å; F49-I63 HydrophobicContact CE1-CD1 4.22Å; F49-I63 HydrophobicContact CZ-CD1 3.94Å; F49-F73 AromaticContact CE2-CE2 3.76Å; F49-F73 HydrophobicContact CE2-CE2 3.76Å; F49-F73 HydrophobicContact CE2-CZ 4.25Å; F49-F73 AromaticContact CZ-CE2 3.69Å; F49-F73 HydrophobicContact CZ-CE2 3.69Å; F49-F73 HydrophobicContact CZ-CZ 4Å; F49-L102 HydrophobicContact CD2-CD2 4.33Å; F49-L102 HydrophobicContact CE2-CD1 4.42Å; F49-L102 HydrophobicContact CE2-CD2 3.62Å; F49-L102 HydrophobicContact CZ-CD2 4.01Å
50K95.1Very high93.2Very high109 Ų10965.4 Ų65.447%0.47436%0.361SS..Hα-helixtrans-57.8-47.3174.3-166.9175.8-177.9178.60112A43 S46 N47 Y48 I54A43-K50 HydrophobicContact CB-CB 4.21Å; A43-K50 HydrophobicContact CB-CG 4.44Å; S46-K50 PolarHBondContact O-N 3.44Å; S46-K50 VanDerWaalsContact O-N 3.08Å; N47-K50 PolarHBondContact O-N 2.92Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 2.93Å; K50-I54 WeakPolarHBondContact O-CD1 3.22Å; K50-I54 VanDerWaalsContact O-CG1 3.3Å; K50-I54 WeakPolarHBondContact O-CG1 3.5Å; K50-I54 PolarHBondContact O-N 3.43Å
51M94.8Very high93.1Very high88 Ų8861.9 Ų61.943%0.43333%0.331SS..Hα-helixtrans-67.9-46.8178.2-70.3-58.1-63.400112.4N47 Y48 F49 F53 I54 H55N47-M51 WeakPolarHBondContact O-CG 3.48Å; N47-M51 PolarHBondContact O-N 3.03Å; Y48-M51 PolarHBondContact O-N 2.82Å; F49-M51 PolarHBondContact O-N 3.27Å; M51-F53 VanDerWaalsContact C-N 3.29Å; M51-F53 PolarHBondContact O-N 3.26Å; M51-I54 PolarHBondContact O-N 2.84Å; M51-I54 VanDerWaalsContact O-N 3.13Å; M51-H55 PolarHBondContact O-CD2 3.15Å; M51-H55 VanDerWaalsContact O-CD2 3.28Å; M51-H55 PolarHBondContact O-N 3.27Å
52I93.8Very high93.1Very high25 Ų2569.7 Ų69.713%0.12836%0.364CS..Hα-helixtrans-64.5-34.3-177.5-153.7174.6000111.7Y48 F49 I54 H55 Q56 I61Y48-I52 PolarHBondContact O-N 3.36Å; F49-I52 HydrophobicContact CD1-CG2 4.24Å; F49-I52 WeakPolarHBondContact O-CG2 3.43Å; F49-I52 PolarHBondContact O-N 3.03Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 3.15Å; I52-H55 PolarHBondContact O-N 3.27Å; I52-Q56 HydrophobicContact CG1-CB 4.44Å; I52-Q56 VanDerWaalsContact CG1-CD 3.47Å; I52-Q56 HydrophobicContact CG1-CG 3.96Å; I52-Q56 WeakPolarHBondContact O-CA 3.32Å; I52-Q56 VanDerWaalsContact O-CB 3.26Å; I52-Q56 WeakPolarHBondContact O-CB 3.35Å; I52-Q56 PolarHBondContact O-N 3.05Å; I52-I61 HydrophobicContact CD1-CD1 4.41Å; I52-I61 HydrophobicContact CD1-CG1 4.34Å; I52-I61 HydrophobicContact CD1-CG2 4Å; I52-I61 HydrophobicContact CG2-CD1 3.52Å; I52-I61 HydrophobicContact CG2-CG1 4.42Å
53F94.3Very high93Very high26 Ų2670.1 Ų70.111%0.11437%0.366CS..Hα-helixtrans-74.7-17.3176.4-68.4-38.6000115.1C26 R39 L42 A43 F49 M51 I61C26-F53 HydrophobicContact CB-CE1 4.46Å; C26-F53 HydrophobicContact CB-CZ 4.2Å; R39-F53 HydrophobicContact CB-CD2 3.97Å; R39-F53 HydrophobicContact CB-CE1 4.28Å; R39-F53 HydrophobicContact CB-CE2 3.72Å; R39-F53 HydrophobicContact CB-CG 4.4Å; R39-F53 HydrophobicContact CB-CZ 3.9Å; R39-F53 HydrophobicContact CG-CD1 4.1Å; R39-F53 HydrophobicContact CG-CD2 4.36Å; R39-F53 HydrophobicContact CG-CE1 3.64Å; R39-F53 HydrophobicContact CG-CE2 3.98Å; R39-F53 HydrophobicContact CG-CG 4.45Å; R39-F53 HydrophobicContact CG-CZ 3.61Å; R39-F53 PolarHBondContact NH2-O 3.42Å; R39-F53 VanDerWaalsContact NH2-O 3.09Å; L42-F53 HydrophobicContact CB-CE2 4Å; L42-F53 HydrophobicContact CD1-CE2 4.36Å; L42-F53 HydrophobicContact CD1-CZ 4.1Å; A43-F53 HydrophobicContact CB-CD2 4.23Å; F49-F53 HydrophobicContact CB-CD2 4.23Å; F49-F53 HydrophobicContact CB-CE2 3.83Å; F49-F53 HydrophobicContact CD1-CE2 4.35Å; F49-F53 HydrophobicContact CD1-CZ 4.24Å; F49-F53 HydrophobicContact CG-CE2 4.41Å; F49-F53 WeakPolarHBondContact O-CB 3.42Å; F49-F53 WeakPolarHBondContact O-CD2 3.44Å; F49-F53 VanDerWaalsContact O-CG 3.24Å; F49-F53 WeakPolarHBondContact O-CG 3.41Å; F49-F53 PolarHBondContact O-N 3.24Å; M51-F53 VanDerWaalsContact C-N 3.29Å; M51-F53 PolarHBondContact O-N 3.26Å; F53-I61 HydrophobicContact CD1-CD1 4.14Å; F53-I61 HydrophobicContact CE1-CD1 3.37Å; F53-I61 HydrophobicContact CE1-CG1 4.34Å; F53-I61 HydrophobicContact CZ-CD1 3.72Å
54I91.1Very high92.9Very high116 Ų11674.5 Ų74.560%0.59538%0.382SS*.Hα-helixtrans-78.4-41.8171.7-70.6163.7000110.1K50 M51 I52K50-I54 WeakPolarHBondContact O-CD1 3.22Å; K50-I54 VanDerWaalsContact O-CG1 3.3Å; K50-I54 WeakPolarHBondContact O-CG1 3.5Å; K50-I54 PolarHBondContact O-N 3.43Å; M51-I54 PolarHBondContact O-N 2.84Å; M51-I54 VanDerWaalsContact O-N 3.13Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 3.15Å
55H85.5Confident92.9Very high142 Ų14273.2 Ų73.266%0.65737%0.367SS*.Hα-helixtrans-93.3-20.2-174.3-64.5-67.2000114.6M51 I52M51-H55 PolarHBondContact O-CD2 3.15Å; M51-H55 VanDerWaalsContact O-CD2 3.28Å; M51-H55 PolarHBondContact O-N 3.27Å; I52-H55 PolarHBondContact O-N 3.27Å
56Q85.2Confident92.8Very high87 Ų8775.6 Ų75.641%0.40739%0.387SS..  trans-122.6141.2-178.2-52.5-172.31100112I52I52-Q56 HydrophobicContact CG1-CB 4.44Å; I52-Q56 VanDerWaalsContact CG1-CD 3.47Å; I52-Q56 HydrophobicContact CG1-CG 3.96Å; I52-Q56 WeakPolarHBondContact O-CA 3.32Å; I52-Q56 VanDerWaalsContact O-CB 3.26Å; I52-Q56 WeakPolarHBondContact O-CB 3.35Å; I52-Q56 PolarHBondContact O-N 3.05Å
57T85Confident92.7Very high134 Ų13477.9 Ų77.982%0.82240%0.399SS*.  trans-98.94.7175.451.50000113.2E59T57-E59 PolarHBondContact O-N 2.93Å
58S88.4Confident92.7Very high56 Ų5674.5 Ų74.539%0.39238%0.381SS..  trans-64.9123.3-179.6-540000112.3C60S58-C60 WeakPolarHBondContact CB-O 3.25Å; S58-C60 PolarHBondContact O-N 3.23Å
59E87.6Confident92.6Very high140 Ų14076 Ų7665%0.65439%0.39SS*.SBendtrans-71-21.1171.9-65.2167.4-165.400111.9C26 T27 T57C26-E59 CarbonylContact C-O 3.51Å; C26-E59 WeakPolarHBondContact CA-O 3.29Å; T27-E59 PolarHBondContact N-O 3.13Å; T57-E59 PolarHBondContact O-N 2.93Å
60C94Very high92.6Very high61 Ų6177.2 Ų77.241%0.41240%0.398SS..EExtended strand (participates in β ladder)trans-113.4121.2175.5-172.50000110.5T27 S58T27-C60 CarbonylContact O-C 3.51Å; T27-C60 WeakPolarHBondContact O-CA 3.16Å; S58-C60 WeakPolarHBondContact CB-O 3.25Å; S58-C60 PolarHBondContact O-N 3.23Å
61I95.3Very high92.5Very high4 Ų474.4 Ų74.42%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-100.2133.3171.6-66171000108T27 A29 F49 I52 F53 I63T27-I61 PolarHBondContact O-N 3.05Å; A29-I61 PolarHBondContact N-O 3.46Å; F49-I61 HydrophobicContact CD1-CD1 3.68Å; F49-I61 HydrophobicContact CE1-CD1 3.82Å; F49-I61 HydrophobicContact CE1-CG2 4.42Å; I52-I61 HydrophobicContact CD1-CD1 4.41Å; I52-I61 HydrophobicContact CD1-CG1 4.34Å; I52-I61 HydrophobicContact CD1-CG2 4Å; I52-I61 HydrophobicContact CG2-CD1 3.52Å; I52-I61 HydrophobicContact CG2-CG1 4.42Å; F53-I61 HydrophobicContact CD1-CD1 4.14Å; F53-I61 HydrophobicContact CE1-CD1 3.37Å; F53-I61 HydrophobicContact CE1-CG1 4.34Å; F53-I61 HydrophobicContact CZ-CD1 3.72Å; I61-I63 HydrophobicContact CG2-CD1 4.42Å; I61-I63 HydrophobicContact CG2-CG1 3.93Å
62K95.1Very high92.5Very high178 Ų17870.3 Ų70.377%0.77437%0.368SS*.EExtended strand (participates in β ladder)trans-104132.1170.1-62.7-175.6178.7-174.50109.4A29A29-K62 HydrophobicContact CB-CG 4.42Å; A29-K62 WeakPolarHBondContact O-CA 3.41Å
63I95.6Very high92.6Very high8 Ų869.1 Ų69.14%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-126.1142.9172.6-49.6176.9000107V28 A29 I30 Y48 F49 I61 D67 I68 F101V28-I63 HydrophobicContact CG1-CD1 3.65Å; V28-I63 HydrophobicContact CG1-CG1 4.16Å; A29-I63 PolarHBondContact O-N 3.17Å; I30-I63 HydrophobicContact CG1-CB 4.37Å; Y48-I63 HydrophobicContact CE1-CD1 4.03Å; Y48-I63 HydrophobicContact CE1-CG1 4.45Å; F49-I63 HydrophobicContact CE1-CD1 4.22Å; F49-I63 HydrophobicContact CZ-CD1 3.94Å; I61-I63 HydrophobicContact CG2-CD1 4.42Å; I61-I63 HydrophobicContact CG2-CG1 3.93Å; I63-D67 HydrophobicContact CG2-CB 4.15Å; I63-I68 HydrophobicContact CG2-CG2 3.75Å; I63-F101 HydrophobicContact CD1-CE1 4.34Å; I63-F101 HydrophobicContact CG2-CE1 3.57Å; I63-F101 HydrophobicContact CG2-CZ 3.64Å
64Q94.9Very high92.7Very high120 Ų12070.4 Ų70.456%0.56137%0.374SS*.  trans-81.3144.1-179.7-50.7-179.9110.900110.1T66 D67 I68Q64-T66 WeakPolarHBondContact CB-OG1 3.26Å; Q64-T66 PolarHBondContact O-N 3.34Å; Q64-T66 VanDerWaalsContact O-N 3.07Å; Q64-D67 VanDerWaalsContact CB-OD2 3.29Å; Q64-D67 WeakPolarHBondContact CB-OD2 3.43Å; Q64-D67 PolarHBondContact N-OD2 3.37Å; Q64-D67 VanDerWaalsContact N-OD2 3.15Å; Q64-D67 PolarHBondContact NE2-OD1 3.05Å; Q64-D67 PolarHBondContact O-N 3.16Å; Q64-I68 PolarHBondContact O-N 3.44Å
65P93.9Very high92.8Very high50 Ų5065 Ų6533%0.32535%0.346SS..THydrogen-bonded Turntrans-57.9-19.9172.1-25.735000114.1I30 D67 I68 Q69I30-P65 HydrophobicContact CG2-CG 4.3Å; P65-D67 VanDerWaalsContact C-N 3.31Å; P65-I68 WeakPolarHBondContact CA-O 3.19Å; P65-Q69 WeakPolarHBondContact O-CG 3.15Å; P65-Q69 PolarHBondContact O-NE2 2.75Å
66T93.8Very high93.3Very high110 Ų11058.3 Ų58.368%0.67532%0.315SS*.THydrogen-bonded Turntrans-66.5-31.317246.80000113.2Q64Q64-T66 WeakPolarHBondContact CB-OG1 3.26Å; Q64-T66 PolarHBondContact O-N 3.34Å; Q64-T66 VanDerWaalsContact O-N 3.07Å
67D94.4Very high93.8Very high50 Ų5054.6 Ų54.627%0.26730%0.298SS..THydrogen-bonded Turntrans-91.6-38.8-170.9-36-29.6000110.4I63 Q64 P65 F101I63-D67 HydrophobicContact CG2-CB 4.15Å; Q64-D67 VanDerWaalsContact CB-OD2 3.29Å; Q64-D67 WeakPolarHBondContact CB-OD2 3.43Å; Q64-D67 PolarHBondContact N-OD2 3.37Å; Q64-D67 VanDerWaalsContact N-OD2 3.15Å; Q64-D67 PolarHBondContact NE2-OD1 3.05Å; Q64-D67 PolarHBondContact O-N 3.16Å; P65-D67 VanDerWaalsContact C-N 3.31Å; D67-F101 HydrophobicContact CB-CD2 3.9Å; D67-F101 HydrophobicContact CB-CE1 4.3Å; D67-F101 HydrophobicContact CB-CE2 3.57Å; D67-F101 HydrophobicContact CB-CG 4.4Å; D67-F101 HydrophobicContact CB-CZ 3.79Å
68I95.6Very high94.2Very high7 Ų751.5 Ų51.54%0.03627%0.274CS..SBendtrans-154.7136.7167.6-171.1173.2000109.6I30 I63 Q64 P65 I72 F73 L76 F101 L102I30-I68 HydrophobicContact CD1-CG2 4.22Å; I30-I68 VanDerWaalsContact CG2-O 3.25Å; I30-I68 WeakPolarHBondContact CG2-O 3.19Å; I63-I68 HydrophobicContact CG2-CG2 3.75Å; Q64-I68 PolarHBondContact O-N 3.44Å; P65-I68 WeakPolarHBondContact CA-O 3.19Å; I68-I72 HydrophobicContact CD1-CG2 4.13Å; I68-I72 HydrophobicContact CG1-CB 4.16Å; I68-I72 HydrophobicContact CG1-CG2 4.11Å; I68-F73 HydrophobicContact CD1-CB 4.15Å; I68-F73 HydrophobicContact CD1-CD2 4.23Å; I68-F73 HydrophobicContact CG1-CB 4.44Å; I68-L76 HydrophobicContact CD1-CD1 4.19Å; I68-F101 HydrophobicContact CB-CD1 4.16Å; I68-F101 HydrophobicContact CG2-CD1 4.07Å; I68-F101 HydrophobicContact CG2-CE1 4.1Å; I68-L102 HydrophobicContact CD1-CD1 3.87Å; I68-L102 HydrophobicContact CD1-CG 4.14Å
69Q94.6Very high94.4Very high84 Ų8449 Ų4939%0.39326%0.256SS..  trans-85.3150.9-178.5-71.6-87-41.800111.9P65 D71 I72 F73P65-Q69 WeakPolarHBondContact O-CG 3.15Å; P65-Q69 PolarHBondContact O-NE2 2.75Å; Q69-D71 VanDerWaalsContact C-N 3.31Å; Q69-D71 WeakPolarHBondContact CB-OD1 3.31Å; Q69-D71 PolarHBondContact O-N 3.31Å; Q69-I72 HydrophobicContact CB-CG1 4.41Å; Q69-I72 PolarHBondContact O-N 2.77Å; Q69-F73 PolarHBondContact O-N 3.09Å
70P95.9Very high94.8Very high26 Ų2642.3 Ų42.317%0.16923%0.225CC..Hα-helixtrans-60.1-33-174.8-24.433.1000115.1I30 V33 F35 S74I30-P70 HydrophobicContact CB-CG 4.18Å; I30-P70 HydrophobicContact CG2-CG 3.8Å; V33-P70 HydrophobicContact CB-CB 4.02Å; V33-P70 HydrophobicContact CB-CG 4.26Å; V33-P70 HydrophobicContact CG1-CB 4.26Å; V33-P70 HydrophobicContact CG2-CB 3.85Å; V33-P70 HydrophobicContact CG2-CG 3.91Å; F35-P70 HydrophobicContact CE2-CB 4.3Å; F35-P70 HydrophobicContact CZ-CB 4.1Å; F35-P70 WeakPolarHBondContact CZ-O 3.23Å; P70-S74 VanDerWaalsContact O-CB 3.23Å; P70-S74 WeakPolarHBondContact O-CB 3.48Å; P70-S74 PolarHBondContact O-N 2.98Å
71D94.1Very high94.9Very high50 Ų5039.5 Ų39.527%0.26721%0.205SC..Hα-helixtrans-64.8-46.2175.761.5-30.1000111.8Q69 S74 Y75 R94Q69-D71 VanDerWaalsContact C-N 3.31Å; Q69-D71 WeakPolarHBondContact CB-OD1 3.31Å; Q69-D71 PolarHBondContact O-N 3.31Å; D71-S74 PolarHBondContact O-N 3.43Å; D71-Y75 WeakPolarHBondContact O-CB 3.12Å; D71-Y75 PolarHBondContact O-N 2.91Å; D71-R94 IonicContact OD1-CZ 3.78Å; D71-R94 IonicContact OD1-NH1 2.66Å; D71-R94 IonicContact OD1-NH2 2.72Å; D71-R94 PolarHBondContact OD1-NH2 3Å; D71-R94 IonicContact OD2-CZ 2.97Å; D71-R94 IonicContact OD2-NH1 3.99Å; D71-R94 PolarHBondContact OD2-NH1 2.75Å; D71-R94 IonicContact OD2-NH2 2.83Å; D71-R94 PolarHBondContact OD2-NH2 3.3Å
72I94.7Very high94.7Very high2 Ų240.8 Ų40.81%0.0121%0.214CC..Hα-helixtrans-65.5-43.8177-55.4-55.8000110.8I68 Q69 Y75 L76 V90 R94 L95I68-I72 HydrophobicContact CD1-CG2 4.13Å; I68-I72 HydrophobicContact CG1-CB 4.16Å; I68-I72 HydrophobicContact CG1-CG2 4.11Å; Q69-I72 HydrophobicContact CB-CG1 4.41Å; Q69-I72 PolarHBondContact O-N 2.77Å; I72-Y75 PolarHBondContact O-N 2.99Å; I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CG 3.25Å; I72-L76 PolarHBondContact O-N 2.72Å; I72-V90 HydrophobicContact CD1-CB 4.05Å; I72-V90 HydrophobicContact CD1-CG1 4.43Å; I72-R94 HydrophobicContact CD1-CB 3.91Å; I72-R94 HydrophobicContact CG1-CB 4.08Å; I72-L95 HydrophobicContact CG2-CD1 4.01Å
73F96.4Very high94.4Very high1 Ų134.4 Ų34.40%0.00420%0.199CC..Hα-helixtrans-63.1-43.5176.8-174.1-99.4000112V28 I30 F35 F49 I68 Q69 Y75 L76 L77 L102V28-F73 HydrophobicContact CB-CE1 4.06Å; V28-F73 HydrophobicContact CB-CZ 3.99Å; V28-F73 HydrophobicContact CG1-CE1 4.12Å; V28-F73 HydrophobicContact CG1-CE2 4.35Å; V28-F73 HydrophobicContact CG1-CZ 3.91Å; V28-F73 HydrophobicContact CG2-CE1 4.45Å; V28-F73 HydrophobicContact CG2-CZ 3.96Å; I30-F73 HydrophobicContact CD1-CB 3.37Å; I30-F73 HydrophobicContact CD1-CD1 3.69Å; I30-F73 HydrophobicContact CD1-CD2 3.97Å; I30-F73 HydrophobicContact CD1-CE1 4.5Å; I30-F73 HydrophobicContact CD1-CG 3.37Å; F35-F73 HydrophobicContact CB-CD1 4.28Å; F35-F73 HydrophobicContact CB-CE1 3.75Å; F35-F73 AromaticContact CD1-CD1 4Å; F35-F73 HydrophobicContact CD1-CD1 4Å; F35-F73 HydrophobicContact CD1-CE1 4.23Å; F35-F73 AromaticContact CD2-CD1 3.49Å; F35-F73 HydrophobicContact CD2-CD1 3.49Å; F35-F73 VanDerWaalsContact CD2-CD1 3.49Å; F35-F73 AromaticContact CD2-CE1 3.78Å; F35-F73 HydrophobicContact CD2-CE1 3.78Å; F35-F73 HydrophobicContact CE1-CD1 4.19Å; F35-F73 AromaticContact CE2-CD1 3.71Å; F35-F73 HydrophobicContact CE2-CD1 3.71Å; F35-F73 HydrophobicContact CE2-CE1 4.45Å; F35-F73 AromaticContact CG-CD1 3.65Å; F35-F73 HydrophobicContact CG-CD1 3.65Å; F35-F73 AromaticContact CG-CE1 3.65Å; F35-F73 HydrophobicContact CG-CE1 3.65Å; F35-F73 HydrophobicContact CZ-CD1 4.05Å; F49-F73 AromaticContact CE2-CE2 3.76Å; F49-F73 HydrophobicContact CE2-CE2 3.76Å; F49-F73 HydrophobicContact CE2-CZ 4.25Å; F49-F73 AromaticContact CZ-CE2 3.69Å; F49-F73 HydrophobicContact CZ-CE2 3.69Å; F49-F73 HydrophobicContact CZ-CZ 4Å; I68-F73 HydrophobicContact CD1-CB 4.15Å; I68-F73 HydrophobicContact CD1-CD2 4.23Å; I68-F73 HydrophobicContact CG1-CB 4.44Å; Q69-F73 PolarHBondContact O-N 3.09Å; F73-Y75 VanDerWaalsContact C-N 3.31Å; F73-Y75 PolarHBondContact O-N 3.18Å; F73-L76 PolarHBondContact O-N 3.48Å; F73-L77 HydrophobicContact CE1-CB 4.33Å; F73-L77 HydrophobicContact CE1-CD2 4.02Å; F73-L77 HydrophobicContact CZ-CD1 4.48Å; F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 PolarHBondContact O-N 2.99Å; F73-L102 HydrophobicContact CD2-CD1 4.09Å; F73-L102 HydrophobicContact CE2-CD1 4.18Å
74S95.3Very high93.8Very high53 Ų5340.2 Ų40.237%0.37122%0.223SC..Hα-helixtrans-59-42.4175.2-168.40000112P70 D71 L77 H78P70-S74 VanDerWaalsContact O-CB 3.23Å; P70-S74 WeakPolarHBondContact O-CB 3.48Å; P70-S74 PolarHBondContact O-N 2.98Å; D71-S74 PolarHBondContact O-N 3.43Å; S74-L77 PolarHBondContact O-N 3.3Å; S74-H78 PolarHBondContact O-N 3.43Å
75Y93.9Very high93.1Very high3 Ų334.9 Ų34.91%0.01220%0.201CC..Hα-helixtrans-62.2-48.4177.1-176.1-85.3000112D71 I72 F73 H78 I79 P86 Q88 V90 L95 N115D71-Y75 WeakPolarHBondContact O-CB 3.12Å; D71-Y75 PolarHBondContact O-N 2.91Å; I72-Y75 PolarHBondContact O-N 2.99Å; F73-Y75 VanDerWaalsContact C-N 3.31Å; F73-Y75 PolarHBondContact O-N 3.18Å; Y75-H78 WeakPolarHBondContact O-CB 3.28Å; Y75-H78 PolarHBondContact O-N 3.25Å; Y75-I79 HydrophobicContact CD1-CD1 3.99Å; Y75-I79 HydrophobicContact CE1-CD1 3.53Å; Y75-I79 HydrophobicContact CE1-CG1 4.46Å; Y75-I79 PolarHBondContact O-N 3.01Å; Y75-P86 HydrophobicContact CD2-CB 3.78Å; Y75-P86 HydrophobicContact CD2-CG 3.5Å; Y75-P86 VanDerWaalsContact CD2-CG 3.5Å; Y75-P86 HydrophobicContact CE2-CB 3.8Å; Y75-P86 VanDerWaalsContact CE2-CD 3.5Å; Y75-P86 HydrophobicContact CE2-CG 3.74Å; Y75-P86 HydrophobicContact CG-CG 4.03Å; Y75-Q88 WeakPolarHBondContact CE2-O 3.36Å; Y75-V90 HydrophobicContact CD1-CG2 4.03Å; Y75-V90 HydrophobicContact CD2-CB 4.41Å; Y75-V90 HydrophobicContact CD2-CG1 3.71Å; Y75-V90 HydrophobicContact CD2-CG2 3.76Å; Y75-V90 HydrophobicContact CE1-CG2 4.06Å; Y75-V90 HydrophobicContact CE2-CG1 4.38Å; Y75-V90 HydrophobicContact CE2-CG2 3.81Å; Y75-V90 HydrophobicContact CG-CG1 4.05Å; Y75-V90 HydrophobicContact CG-CG2 3.9Å; Y75-L95 HydrophobicContact CD1-CD1 3.6Å; Y75-L95 HydrophobicContact CD1-CD2 4.27Å; Y75-L95 HydrophobicContact CE1-CD1 3.96Å; Y75-L95 HydrophobicContact CE1-CD2 3.79Å; Y75-N115 PolarHBondContact OH-ND2 2.94Å
76L95.1Very high92.5Very high0 Ų033.3 Ų33.30%019%0.191CC..Hα-helixtrans-66-41.7177.6-67.4174.5000112.2I68 I72 F73 H78 I79 M80 L95 I99 L102 L107I68-L76 HydrophobicContact CD1-CD1 4.19Å; I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CG 3.25Å; I72-L76 PolarHBondContact O-N 2.72Å; F73-L76 PolarHBondContact O-N 3.48Å; L76-H78 PolarHBondContact O-N 3.26Å; L76-I79 PolarHBondContact O-N 3.28Å; L76-I79 VanDerWaalsContact O-N 3.13Å; L76-M80 WeakPolarHBondContact O-CG 3.21Å; L76-M80 PolarHBondContact O-N 3.09Å; L76-L95 HydrophobicContact CD1-CD1 4.42Å; L76-L95 HydrophobicContact CD2-CD1 3.65Å; L76-L95 HydrophobicContact CG-CD1 3.91Å; L76-I99 HydrophobicContact CD1-CG1 3.89Å; L76-I99 HydrophobicContact CD2-CD1 3.95Å; L76-I99 HydrophobicContact CD2-CG1 3.57Å; L76-I99 HydrophobicContact CG-CG1 4.39Å; L76-L102 HydrophobicContact CD1-CD1 4.01Å; L76-L107 HydrophobicContact CB-CD1 4.38Å; L76-L107 HydrophobicContact CD2-CB 4.37Å; L76-L107 HydrophobicContact CD2-CD1 4.05Å
77L95.7Very high91.5Very high9 Ų937.5 Ų37.55%0.04720%0.2CC..Hα-helixtrans-62.4-32176.4-174.468.8000112.1F35 A37 L42 F73 S74 Y81F35-L77 HydrophobicContact CB-CD2 4Å; F35-L77 HydrophobicContact CD1-CD2 3.95Å; F35-L77 HydrophobicContact CG-CD2 4.32Å; A37-L77 HydrophobicContact CB-CD1 4.38Å; L42-L77 HydrophobicContact CD2-CD1 3.88Å; F73-L77 HydrophobicContact CE1-CB 4.33Å; F73-L77 HydrophobicContact CE1-CD2 4.02Å; F73-L77 HydrophobicContact CZ-CD1 4.48Å; F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 PolarHBondContact O-N 2.99Å; S74-L77 PolarHBondContact O-N 3.3Å; L77-Y81 HydrophobicContact CD1-CD2 4.01Å; L77-Y81 HydrophobicContact CD1-CE2 3.68Å; L77-Y81 HydrophobicContact CG-CD2 4.44Å; L77-Y81 HydrophobicContact CG-CE2 4.49Å; L77-Y81 VanDerWaalsContact O-CD2 3.27Å; L77-Y81 WeakPolarHBondContact O-CD2 3.39Å
78H93.9Very high90.7Very high70 Ų7040.3 Ų40.332%0.32421%0.211SC..Hα-helixtrans-66-47.6171.9-170.493.5000111.1S74 Y75 L76 M80 Y81 T82 K84 P86S74-H78 PolarHBondContact O-N 3.43Å; Y75-H78 WeakPolarHBondContact O-CB 3.28Å; Y75-H78 PolarHBondContact O-N 3.25Å; L76-H78 PolarHBondContact O-N 3.26Å; H78-M80 VanDerWaalsContact C-N 3.34Å; H78-M80 PolarHBondContact O-N 2.97Å; H78-Y81 PolarHBondContact O-N 3.44Å; H78-Y81 VanDerWaalsContact O-N 3.09Å; H78-T82 PolarHBondContact CD2-OG1 3.47Å; H78-T82 PolarHBondContact O-N 3.26Å; H78-T82 PolarHBondContact O-OG1 3.3Å; H78-K84 PolarHBondContact CD2-O 2.92Å; H78-P86 HydrophobicContact CB-CG 3.68Å
79I93.4Very high89.8Confident3 Ų344.7 Ų44.72%0.01524%0.238CC..Hα-helixtrans-57.8-46.2177.9-61.3173.4000111Y75 L76 Y81 T82 G83 K84 L107 I110 A111Y75-I79 HydrophobicContact CD1-CD1 3.99Å; Y75-I79 HydrophobicContact CE1-CD1 3.53Å; Y75-I79 HydrophobicContact CE1-CG1 4.46Å; Y75-I79 PolarHBondContact O-N 3.01Å; L76-I79 PolarHBondContact O-N 3.28Å; L76-I79 VanDerWaalsContact O-N 3.13Å; I79-Y81 PolarHBondContact O-N 2.99Å; I79-T82 PolarHBondContact O-N 3.13Å; I79-G83 WeakPolarHBondContact O-CA 3.27Å; I79-G83 PolarHBondContact O-N 3.35Å; I79-K84 WeakPolarHBondContact CG1-O 3.27Å; I79-L107 HydrophobicContact CG2-CD2 3.91Å; I79-I110 HydrophobicContact CG2-CB 4.34Å; I79-I110 HydrophobicContact CG2-CD1 4.25Å; I79-I110 HydrophobicContact CG2-CG2 3.85Å; I79-A111 HydrophobicContact CD1-CB 4.47Å
80M94.9Very high89.4Confident0 Ų041.5 Ų41.50%022%0.224CC..Hα-helixtrans-56.1-21.5178.5-68.7177.6-174.100114.4V41 L42 F45 L76 H78 L107V41-M80 HydrophobicContact CG1-CB 4.31Å; L42-M80 HydrophobicContact CD2-SD 3.86Å; F45-M80 HydrophobicContact CB-CE 4.15Å; F45-M80 HydrophobicContact CB-CG 3.76Å; F45-M80 HydrophobicContact CB-SD 4.16Å; F45-M80 HydrophobicContact CD2-CB 3.88Å; F45-M80 HydrophobicContact CD2-CG 3.95Å; F45-M80 HydrophobicContact CE2-CB 4.38Å; F45-M80 VanDerWaalsContact CE2-O 3.27Å; F45-M80 WeakPolarHBondContact CE2-O 3.44Å; F45-M80 HydrophobicContact CG-CB 4.38Å; F45-M80 HydrophobicContact CG-CG 3.97Å; L76-M80 WeakPolarHBondContact O-CG 3.21Å; L76-M80 PolarHBondContact O-N 3.09Å; H78-M80 VanDerWaalsContact C-N 3.34Å; H78-M80 PolarHBondContact O-N 2.97Å; M80-L107 HydrophobicContact CE-CD1 3.63Å; M80-L107 HydrophobicContact CG-CD1 3.9Å; M80-L107 HydrophobicContact CG-CD2 4.49Å
81Y95.3Very high89Confident1 Ų145 Ų450%0.00424%0.242CC..Hα-helixtrans-116.8-5.1-175.1-82.7-96.9000114.4L11 L14 N15 R18 H38 V41 L77 H78 I79L11-Y81 WeakPolarHBondContact CG-O 3.48Å; L14-Y81 HydrophobicContact CB-CD1 4.4Å; L14-Y81 HydrophobicContact CB-CE1 4.34Å; N15-Y81 HydrophobicContact CB-CD1 4.32Å; N15-Y81 WeakPolarHBondContact OD1-CB 3.25Å; R18-Y81 HydrophobicContact CB-CD1 4.29Å; R18-Y81 HydrophobicContact CB-CE1 3.88Å; R18-Y81 HydrophobicContact CG-CE1 4.2Å; H38-Y81 PolarHBondContact N-OH 3.38Å; H38-Y81 AromaticContact ND1-CE1 3.56Å; H38-Y81 AromaticContact ND1-CZ 3.74Å; H38-Y81 PolarHBondContact ND1-OH 3.17Å; V41-Y81 HydrophobicContact CB-CE1 4.41Å; V41-Y81 HydrophobicContact CB-CE2 4.03Å; V41-Y81 HydrophobicContact CG1-CD2 3.91Å; V41-Y81 HydrophobicContact CG1-CE1 4.26Å; V41-Y81 HydrophobicContact CG1-CE2 3.51Å; V41-Y81 HydrophobicContact CG1-CG 4.43Å; V41-Y81 HydrophobicContact CG2-CE1 4.12Å; L77-Y81 HydrophobicContact CD1-CD2 4.01Å; L77-Y81 HydrophobicContact CD1-CE2 3.68Å; L77-Y81 HydrophobicContact CG-CD2 4.44Å; L77-Y81 HydrophobicContact CG-CE2 4.49Å; L77-Y81 VanDerWaalsContact O-CD2 3.27Å; L77-Y81 WeakPolarHBondContact O-CD2 3.39Å; H78-Y81 PolarHBondContact O-N 3.44Å; H78-Y81 VanDerWaalsContact O-N 3.09Å; I79-Y81 PolarHBondContact O-N 2.99Å
82T91.5Very high88.8Confident32 Ų3245.6 Ų45.620%0.19624%0.243CC..Hα-helixtrans-128.5-13.5179.266.80000113.7H78 I79 K84H78-T82 PolarHBondContact CD2-OG1 3.47Å; H78-T82 PolarHBondContact O-N 3.26Å; H78-T82 PolarHBondContact O-OG1 3.3Å; I79-T82 PolarHBondContact O-N 3.13Å; T82-K84 PolarHBondContact O-N 3Å; T82-K84 PolarHBondContact OG1-N 3.2Å; T82-K84 PolarHBondContact OG1-O 3.32Å; T82-K84 VanDerWaalsContact OG1-O 3.07Å
83G88.6Confident88.6Confident44 Ų4449.6 Ų49.645%0.45427%0.271SS..SBendtrans65.814.2-170.400000113.7I79I79-G83 WeakPolarHBondContact O-CA 3.27Å; I79-G83 PolarHBondContact O-N 3.35Å
84K84.8Confident88.4Confident129 Ų12952.6 Ų52.656%0.56128%0.282SS*.SBendtrans-139.1139.8-169.9-65.8172.6-173.4175.20111.1H78 I79 T82H78-K84 PolarHBondContact CD2-O 2.92Å; I79-K84 WeakPolarHBondContact CG1-O 3.27Å; T82-K84 PolarHBondContact O-N 3Å; T82-K84 PolarHBondContact OG1-N 3.2Å; T82-K84 PolarHBondContact OG1-O 3.32Å; T82-K84 VanDerWaalsContact OG1-O 3.07Å
85G79.6Confident88.2Confident9 Ų950.1 Ų50.19%0.09327%0.265CS..  trans-62131.4169.800000111.6M114G85-M114 PolarHBondContact N-SD 2.94Å
86P80.5Confident88.1Confident17 Ų1753.6 Ų53.611%0.1128%0.281CS..  trans-51152.3165.5-2833000113.1Y75 H78 Q88Y75-P86 HydrophobicContact CD2-CB 3.78Å; Y75-P86 HydrophobicContact CD2-CG 3.5Å; Y75-P86 VanDerWaalsContact CD2-CG 3.5Å; Y75-P86 HydrophobicContact CE2-CB 3.8Å; Y75-P86 VanDerWaalsContact CE2-CD 3.5Å; Y75-P86 HydrophobicContact CE2-CG 3.74Å; Y75-P86 HydrophobicContact CG-CG 4.03Å; H78-P86 HydrophobicContact CB-CG 3.68Å; P86-Q88 HydrophobicContact CB-CB 4.24Å; P86-Q88 PolarHBondContact O-N 3.01Å; P86-Q88 VanDerWaalsContact O-N 3.13Å
87K72.8Confident88Confident197 Ų19758.6 Ų58.686%0.85731%0.305SS*.SBendtrans-68.7-1.5167.5-61.5-174.9179.1-176.40113.8
88Q78.6Confident87.9Confident109 Ų10958.3 Ų58.351%0.50930%0.303SS..SBendtrans-86.8112.5178.4179.8177.2300109.2Y75 P86 V90Y75-Q88 WeakPolarHBondContact CE2-O 3.36Å; P86-Q88 HydrophobicContact CB-CB 4.24Å; P86-Q88 PolarHBondContact O-N 3.01Å; P86-Q88 VanDerWaalsContact O-N 3.13Å; Q88-V90 HydrophobicContact CG-CG1 4.44Å; Q88-V90 PolarHBondContact O-N 3.07Å
89T77Confident88Confident99 Ų9955.2 Ų55.261%0.60729%0.289SS*.  trans-62.6130.817051.50000110.3F118T89-F118 HydrophobicContact CG2-CB 4.18Å
90V85.9Confident88Confident17 Ų1761.8 Ų61.810%0.10331%0.314CS..  trans-123.6162.3176.2-69.90000110.3I72 Y75 Q88 Q92 L95I72-V90 HydrophobicContact CD1-CB 4.05Å; I72-V90 HydrophobicContact CD1-CG1 4.43Å; Y75-V90 HydrophobicContact CD1-CG2 4.03Å; Y75-V90 HydrophobicContact CD2-CB 4.41Å; Y75-V90 HydrophobicContact CD2-CG1 3.71Å; Y75-V90 HydrophobicContact CD2-CG2 3.76Å; Y75-V90 HydrophobicContact CE1-CG2 4.06Å; Y75-V90 HydrophobicContact CE2-CG1 4.38Å; Y75-V90 HydrophobicContact CE2-CG2 3.81Å; Y75-V90 HydrophobicContact CG-CG1 4.05Å; Y75-V90 HydrophobicContact CG-CG2 3.9Å; Q88-V90 HydrophobicContact CG-CG1 4.44Å; Q88-V90 PolarHBondContact O-N 3.07Å; V90-Q92 PolarHBondContact O-N 3.45Å; V90-L95 HydrophobicContact CG2-CB 4.36Å; V90-L95 HydrophobicContact CG2-CD1 4.32Å; V90-L95 HydrophobicContact CG2-CD2 3.78Å; V90-L95 HydrophobicContact CG2-CG 4.39Å
91N87.9Confident88.1Confident99 Ų9964.3 Ų64.353%0.52933%0.325SS..  trans-74.3115.4-177.2-70.9-89.4000110.1S93 R94 L95N91-S93 PolarHBondContact O-N 3.25Å; N91-R94 HydrophobicContact CB-CB 4.12Å; N91-R94 HydrophobicContact CB-CG 4.14Å; N91-R94 PolarHBondContact ND2-NH1 2.89Å; N91-R94 PolarHBondContact O-N 3.37Å; N91-R94 VanDerWaalsContact O-N 3.07Å; N91-L95 PolarHBondContact O-N 3.07Å
92Q88.2Confident88.1Confident64 Ų6464.3 Ų64.330%0.29933%0.325SS..Hα-helixtrans-53.2-44.6-172.5-177.459.428.500113.8V90 R94 L95 E96V90-Q92 PolarHBondContact O-N 3.45Å; Q92-R94 PolarHBondContact O-N 3.2Å; Q92-L95 WeakPolarHBondContact O-CB 3.32Å; Q92-L95 PolarHBondContact O-N 3.49Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.33Å; Q92-E96 PolarHBondContact NE2-OE1 3.36Å; Q92-E96 WeakPolarHBondContact O-CG 3.45Å; Q92-E96 PolarHBondContact O-N 2.97Å
93S90.7Very high88.3Confident85 Ų8567.7 Ų67.759%0.59434%0.339SS*.Hα-helixtrans-67.5-36.5179.9810000113N91 L95 E96 E97N91-S93 PolarHBondContact O-N 3.25Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-E96 PolarHBondContact O-N 3.47Å; S93-E97 WeakPolarHBondContact O-CB 3.46Å; S93-E97 PolarHBondContact O-N 3.15Å
94R91.8Very high88.6Confident65 Ų6565.7 Ų65.725%0.24532%0.317CS..Hα-helixtrans-68.9-31.7174.7-67.1175.457.9-124.5-10.5111.3D71 I72 N91 Q92 G98D71-R94 IonicContact OD1-CZ 3.78Å; D71-R94 IonicContact OD1-NH1 2.66Å; D71-R94 IonicContact OD1-NH2 2.72Å; D71-R94 PolarHBondContact OD1-NH2 3Å; D71-R94 IonicContact OD2-CZ 2.97Å; D71-R94 IonicContact OD2-NH1 3.99Å; D71-R94 PolarHBondContact OD2-NH1 2.75Å; D71-R94 IonicContact OD2-NH2 2.83Å; D71-R94 PolarHBondContact OD2-NH2 3.3Å; I72-R94 HydrophobicContact CD1-CB 3.91Å; I72-R94 HydrophobicContact CG1-CB 4.08Å; N91-R94 HydrophobicContact CB-CB 4.12Å; N91-R94 HydrophobicContact CB-CG 4.14Å; N91-R94 PolarHBondContact ND2-NH1 2.89Å; N91-R94 PolarHBondContact O-N 3.37Å; N91-R94 VanDerWaalsContact O-N 3.07Å; Q92-R94 PolarHBondContact O-N 3.2Å; R94-G98 PolarHBondContact O-N 3.31Å
95L91.7Very high88.7Confident0 Ų064.4 Ų64.40%032%0.317CS..Hα-helixtrans-69.6-47174.6-176.561.2000111.5I72 Y75 L76 V90 N91 Q92 S93 E97 G98 I99 A111I72-L95 HydrophobicContact CG2-CD1 4.01Å; Y75-L95 HydrophobicContact CD1-CD1 3.6Å; Y75-L95 HydrophobicContact CD1-CD2 4.27Å; Y75-L95 HydrophobicContact CE1-CD1 3.96Å; Y75-L95 HydrophobicContact CE1-CD2 3.79Å; L76-L95 HydrophobicContact CD1-CD1 4.42Å; L76-L95 HydrophobicContact CD2-CD1 3.65Å; L76-L95 HydrophobicContact CG-CD1 3.91Å; V90-L95 HydrophobicContact CG2-CB 4.36Å; V90-L95 HydrophobicContact CG2-CD1 4.32Å; V90-L95 HydrophobicContact CG2-CD2 3.78Å; V90-L95 HydrophobicContact CG2-CG 4.39Å; N91-L95 PolarHBondContact O-N 3.07Å; Q92-L95 WeakPolarHBondContact O-CB 3.32Å; Q92-L95 PolarHBondContact O-N 3.49Å; S93-L95 VanDerWaalsContact C-N 3.31Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 2.93Å; L95-G98 PolarHBondContact O-N 3.45Å; L95-I99 HydrophobicContact CD1-CD1 4.37Å; L95-I99 HydrophobicContact CG-CD1 4.11Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.27Å; L95-I99 PolarHBondContact O-N 2.9Å; L95-A111 HydrophobicContact CD2-CB 3.76Å; L95-A111 HydrophobicContact CG-CB 4.38Å
96E92.1Very high89Confident77 Ų7770.3 Ų70.336%0.3634%0.342SS..Hα-helixtrans-61.6-38.5174.3-72.5170-16300112.6Q92 S93 I99 R100Q92-E96 WeakPolarHBondContact CG-OE1 3.33Å; Q92-E96 PolarHBondContact NE2-OE1 3.36Å; Q92-E96 WeakPolarHBondContact O-CG 3.45Å; Q92-E96 PolarHBondContact O-N 2.97Å; S93-E96 PolarHBondContact O-N 3.47Å; E96-I99 PolarHBondContact O-N 3.33Å; E96-R100 VanDerWaalsContact O-CB 3.25Å; E96-R100 WeakPolarHBondContact O-CB 3.41Å; E96-R100 PolarHBondContact O-N 3.31Å
97E93.2Very high89.3Confident105 Ų10569.6 Ų69.649%0.49134%0.337SS..Hα-helixtrans-62.4-48.5172.9-178.2166.8-125.800112.1S93 L95 I99 R100 F101S93-E97 WeakPolarHBondContact O-CB 3.46Å; S93-E97 PolarHBondContact O-N 3.15Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 2.93Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 2.97Å; E97-R100 PolarHBondContact O-N 3.31Å; E97-F101 WeakPolarHBondContact O-CB 3.34Å; E97-F101 PolarHBondContact O-N 2.88Å
98G94.3Very high89.7Confident2 Ų261.6 Ų61.62%0.02131%0.306CS..Hα-helixtrans-61.4-38.6175.300000113.7R94 L95 L102R94-G98 PolarHBondContact O-N 3.31Å; L95-G98 PolarHBondContact O-N 3.45Å; G98-L102 WeakPolarHBondContact O-CB 3.35Å; G98-L102 WeakPolarHBondContact O-CG 3.45Å; G98-L102 PolarHBondContact O-N 3.41Å
99I94.6Very high89.5Confident5 Ų563.3 Ų63.33%0.02631%0.314CS..Hα-helixtrans-65.6-43.2175-68.8166.2000111.1L76 L95 E96 E97 L102 H103 A104 S108 A111L76-I99 HydrophobicContact CD1-CG1 3.89Å; L76-I99 HydrophobicContact CD2-CD1 3.95Å; L76-I99 HydrophobicContact CD2-CG1 3.57Å; L76-I99 HydrophobicContact CG-CG1 4.39Å; L95-I99 HydrophobicContact CD1-CD1 4.37Å; L95-I99 HydrophobicContact CG-CD1 4.11Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.27Å; L95-I99 PolarHBondContact O-N 2.9Å; E96-I99 PolarHBondContact O-N 3.33Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 2.97Å; I99-L102 PolarHBondContact O-N 2.93Å; I99-H103 PolarHBondContact O-N 3.45Å; I99-A104 HydrophobicContact CG2-CB 4.3Å; I99-A104 PolarHBondContact O-N 3.12Å; I99-S108 WeakPolarHBondContact CG2-OG 3.25Å; I99-A111 HydrophobicContact CD1-CB 4.08Å
100R95.1Very high89.5Confident141 Ų14160.6 Ų60.653%0.53230%0.295SS..Hα-helixtrans-64.5-44.6178.5-170-174.4-53.61128.9111.8E96 E97 H103E96-R100 VanDerWaalsContact O-CB 3.25Å; E96-R100 WeakPolarHBondContact O-CB 3.41Å; E96-R100 PolarHBondContact O-N 3.31Å; E97-R100 PolarHBondContact O-N 3.31Å; R100-H103 PolarHBondContact O-N 3.27Å; R100-H103 PolarHBondContact O-ND1 2.77Å
101F96.1Very high88.9Confident54 Ų5459.8 Ų59.824%0.23729%0.29CS..Hα-helixtrans-61.6-44.3175.4171.4-98.2000112.1Y48 I63 D67 I68 E97 H103Y48-F101 HydrophobicContact CD2-CE1 4.44Å; Y48-F101 HydrophobicContact CD2-CZ 4.22Å; Y48-F101 HydrophobicContact CE1-CE1 4.48Å; Y48-F101 HydrophobicContact CE2-CE1 4.14Å; Y48-F101 HydrophobicContact CE2-CE2 4.2Å; Y48-F101 AromaticContact CE2-CZ 3.62Å; Y48-F101 HydrophobicContact CE2-CZ 3.62Å; Y48-F101 AromaticContact CZ-CZ 3.84Å; I63-F101 HydrophobicContact CD1-CE1 4.34Å; I63-F101 HydrophobicContact CG2-CE1 3.57Å; I63-F101 HydrophobicContact CG2-CZ 3.64Å; D67-F101 HydrophobicContact CB-CD2 3.9Å; D67-F101 HydrophobicContact CB-CE1 4.3Å; D67-F101 HydrophobicContact CB-CE2 3.57Å; D67-F101 HydrophobicContact CB-CG 4.4Å; D67-F101 HydrophobicContact CB-CZ 3.79Å; I68-F101 HydrophobicContact CB-CD1 4.16Å; I68-F101 HydrophobicContact CG2-CD1 4.07Å; I68-F101 HydrophobicContact CG2-CE1 4.1Å; E97-F101 WeakPolarHBondContact O-CB 3.34Å; E97-F101 PolarHBondContact O-N 2.88Å; F101-H103 PolarHBondContact O-N 3.45Å
102L96.2Very high88.1Confident0 Ų058.2 Ų58.20%028%0.281CS..Hα-helixtrans-75.6-7.1177.6-67.8-179.3000113.8S46 N47 Y48 F49 I68 F73 L76 G98 I99 A104S46-L102 WeakPolarHBondContact CB-O 3.19Å; S46-L102 PolarHBondContact OG-O 3.05Å; N47-L102 PolarHBondContact N-O 3.13Å; Y48-L102 VanDerWaalsContact CB-O 3.24Å; Y48-L102 WeakPolarHBondContact CB-O 3.33Å; Y48-L102 HydrophobicContact CD1-CD2 4Å; Y48-L102 HydrophobicContact CG-CD2 4.4Å; Y48-L102 PolarHBondContact N-O 3.05Å; Y48-L102 VanDerWaalsContact N-O 3.17Å; F49-L102 HydrophobicContact CD2-CD2 4.33Å; F49-L102 HydrophobicContact CE2-CD1 4.42Å; F49-L102 HydrophobicContact CE2-CD2 3.62Å; F49-L102 HydrophobicContact CZ-CD2 4.01Å; I68-L102 HydrophobicContact CD1-CD1 3.87Å; I68-L102 HydrophobicContact CD1-CG 4.14Å; F73-L102 HydrophobicContact CD2-CD1 4.09Å; F73-L102 HydrophobicContact CE2-CD1 4.18Å; L76-L102 HydrophobicContact CD1-CD1 4.01Å; G98-L102 WeakPolarHBondContact O-CB 3.35Å; G98-L102 WeakPolarHBondContact O-CG 3.45Å; G98-L102 PolarHBondContact O-N 3.41Å; I99-L102 PolarHBondContact O-N 2.93Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 HydrophobicContact CB-CB 3.96Å; L102-A104 PolarHBondContact O-N 2.88Å
103H95.3Very high87.1Confident104 Ų10462 Ų6248%0.48130%0.299SS..THydrogen-bonded Turntrans46.757.6-168.7-60.7-68.9000111.1N47 I99 R100 F101N47-H103 HydrophobicContact CB-CB 3.82Å; N47-H103 PolarHBondContact N-O 2.88Å; I99-H103 PolarHBondContact O-N 3.45Å; R100-H103 PolarHBondContact O-N 3.27Å; R100-H103 PolarHBondContact O-ND1 2.77Å; F101-H103 PolarHBondContact O-N 3.45Å
104A93.6Very high85.9Confident1 Ų160.8 Ų60.81%0.00828%0.284CS..  trans-11738.9-169.800000112.3F45 I99 L102 H106 L107F45-A104 VanDerWaalsContact O-CA 3.3Å; F45-A104 WeakPolarHBondContact O-CA 3.41Å; F45-A104 VanDerWaalsContact O-CB 3.27Å; F45-A104 WeakPolarHBondContact O-CB 3.46Å; I99-A104 HydrophobicContact CG2-CB 4.3Å; I99-A104 PolarHBondContact O-N 3.12Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 HydrophobicContact CB-CB 3.96Å; L102-A104 PolarHBondContact O-N 2.88Å; A104-H106 PolarHBondContact O-N 3.3Å; A104-L107 HydrophobicContact CB-CD1 4.05Å; A104-L107 HydrophobicContact CB-CG 4.32Å; A104-L107 WeakPolarHBondContact O-CB 3.41Å; A104-L107 PolarHBondContact O-N 3.22Å
105D88.7Confident84.5Confident103 Ų10358.9 Ų58.955%0.55128%0.279SS*.THydrogen-bonded Turntrans-57.9-24.4-163.9-50.8-72000114.9L107 S108D105-L107 PolarHBondContact O-N 3.33Å; D105-S108 WeakPolarHBondContact O-CB 3.46Å; D105-S108 PolarHBondContact O-N 2.88Å; D105-S108 VanDerWaalsContact O-N 3.13Å; D105-S108 PolarHBondContact O-OG 2.89Å; D105-S108 VanDerWaalsContact O-OG 3.07Å
106H85.8Confident82.9Confident133 Ų13364.6 Ų64.662%0.61631%0.305SS*.Hα-helixtrans-63.5-27.7173.7-168.868.8000112.9A104 S108A104-H106 PolarHBondContact O-N 3.3Å; H106-S108 VanDerWaalsContact C-N 3.32Å
107L86Confident81Confident1 Ų164.4 Ų64.41%0.00532%0.317CS..Hα-helixtrans-75.6-19.8175.9-55-174.8000112.5F45 L76 I79 M80 A104 D105 H109 I110 A111F45-L107 HydrophobicContact CB-CD2 4.49Å; F45-L107 HydrophobicContact CD1-CD2 3.91Å; F45-L107 HydrophobicContact CG-CD2 4.41Å; L76-L107 HydrophobicContact CB-CD1 4.38Å; L76-L107 HydrophobicContact CD2-CB 4.37Å; L76-L107 HydrophobicContact CD2-CD1 4.05Å; I79-L107 HydrophobicContact CG2-CD2 3.91Å; M80-L107 HydrophobicContact CE-CD1 3.63Å; M80-L107 HydrophobicContact CG-CD1 3.9Å; M80-L107 HydrophobicContact CG-CD2 4.49Å; A104-L107 HydrophobicContact CB-CD1 4.05Å; A104-L107 HydrophobicContact CB-CG 4.32Å; A104-L107 WeakPolarHBondContact O-CB 3.41Å; A104-L107 PolarHBondContact O-N 3.22Å; D105-L107 PolarHBondContact O-N 3.33Å; L107-H109 PolarHBondContact O-N 3.01Å; L107-I110 PolarHBondContact O-N 3.08Å; L107-A111 VanDerWaalsContact O-CB 3.22Å; L107-A111 WeakPolarHBondContact O-CB 3.26Å; L107-A111 PolarHBondContact O-N 2.88Å
108S80.6Confident79Confident29 Ų2964.5 Ų64.520%0.20332%0.316CS..Hα-helixtrans-54.2-50.2-178.7-59.50000112.3I99 D105 H106 A111 I112I99-S108 WeakPolarHBondContact CG2-OG 3.25Å; D105-S108 WeakPolarHBondContact O-CB 3.46Å; D105-S108 PolarHBondContact O-N 2.88Å; D105-S108 VanDerWaalsContact O-N 3.13Å; D105-S108 PolarHBondContact O-OG 2.89Å; D105-S108 VanDerWaalsContact O-OG 3.07Å; H106-S108 VanDerWaalsContact C-N 3.32Å; S108-A111 PolarHBondContact O-N 2.82Å; S108-I112 VanDerWaalsContact O-CB 3.25Å; S108-I112 WeakPolarHBondContact O-CB 3.36Å; S108-I112 WeakPolarHBondContact O-CD1 3.29Å; S108-I112 WeakPolarHBondContact O-CG1 3.5Å; S108-I112 PolarHBondContact O-N 3.08Å
109H75.1Confident76.4Confident146 Ų14668.7 Ų68.768%0.67634%0.342SS*.Hα-helixtrans-64.3-45.6-177.8-66.4-76.5000112L107 A111 I112 E113L107-H109 PolarHBondContact O-N 3.01Å; H109-A111 VanDerWaalsContact C-N 3.34Å; H109-A111 PolarHBondContact O-N 3.07Å; H109-I112 PolarHBondContact O-N 2.92Å; H109-E113 VanDerWaalsContact O-CB 3.32Å; H109-E113 WeakPolarHBondContact O-CB 3.2Å; H109-E113 PolarHBondContact O-N 3.34Å
110I76.5Confident73.8Confident42 Ų4274 Ų7422%0.21538%0.377CS..Hα-helixtrans-63.2-41.7179.6-52.3172.7000110.7I79 L107 M114I79-I110 HydrophobicContact CG2-CB 4.34Å; I79-I110 HydrophobicContact CG2-CD1 4.25Å; I79-I110 HydrophobicContact CG2-CG2 3.85Å; L107-I110 PolarHBondContact O-N 3.08Å; I110-M114 WeakPolarHBondContact O-CB 3.44Å; I110-M114 WeakPolarHBondContact O-CG 3.38Å; I110-M114 PolarHBondContact O-N 2.95Å
111A73.1Confident70.9Confident0 Ų075 Ų750%039%0.387CS..Hα-helixtrans-64.7-46.1175.600000112.7I79 L95 I99 L107 S108 H109 N115I79-A111 HydrophobicContact CD1-CB 4.47Å; L95-A111 HydrophobicContact CD2-CB 3.76Å; L95-A111 HydrophobicContact CG-CB 4.38Å; I99-A111 HydrophobicContact CD1-CB 4.08Å; L107-A111 VanDerWaalsContact O-CB 3.22Å; L107-A111 WeakPolarHBondContact O-CB 3.26Å; L107-A111 PolarHBondContact O-N 2.88Å; S108-A111 PolarHBondContact O-N 2.82Å; H109-A111 VanDerWaalsContact C-N 3.34Å; H109-A111 PolarHBondContact O-N 3.07Å; A111-N115 PolarHBondContact O-N 3.25Å; A111-N115 PolarHBondContact O-ND2 3.02Å
112I70.8Confident68.4Low66 Ų6678.7 Ų78.734%0.33842%0.415SS..Hα-helixtrans-70-42-176.4-74165.1000111.5S108 H109 Q116S108-I112 VanDerWaalsContact O-CB 3.25Å; S108-I112 WeakPolarHBondContact O-CB 3.36Å; S108-I112 WeakPolarHBondContact O-CD1 3.29Å; S108-I112 WeakPolarHBondContact O-CG1 3.5Å; S108-I112 PolarHBondContact O-N 3.08Å; H109-I112 PolarHBondContact O-N 2.92Å; I112-Q116 VanDerWaalsContact CG2-NE2 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.43Å; I112-Q116 PolarHBondContact O-N 3.48Å; I112-Q116 PolarHBondContact O-NE2 3.02Å
113E68.2Low65.7Low144 Ų14483.6 Ų83.667%0.67344%0.444SS*.Hα-helixtrans-62.8-46176.7-174.6175.8-175.800111H109 Q116 A117H109-E113 VanDerWaalsContact O-CB 3.32Å; H109-E113 WeakPolarHBondContact O-CB 3.2Å; H109-E113 PolarHBondContact O-N 3.34Å; E113-Q116 PolarHBondContact O-N 2.83Å; E113-A117 PolarHBondContact O-N 3Å
114M65.7Low63.6Low59 Ų5983.9 Ų83.929%0.29146%0.455SS..Hα-helixtrans-81.6-21.1-174.9-64.5-16065.400114.9G85 I110 F118G85-M114 PolarHBondContact N-SD 2.94Å; I110-M114 WeakPolarHBondContact O-CB 3.44Å; I110-M114 WeakPolarHBondContact O-CG 3.38Å; I110-M114 PolarHBondContact O-N 2.95Å; M114-F118 WeakPolarHBondContact O-CD2 3.24Å
115N61.2Low61.1Low24 Ų2488.3 Ų88.313%0.12849%0.486CS..Hα-helixtrans-76.1-33.6167.9-78.9-81.5000111.9Y75 A111 A117 F118 T119Y75-N115 PolarHBondContact OH-ND2 2.94Å; A111-N115 PolarHBondContact O-N 3.25Å; A111-N115 PolarHBondContact O-ND2 3.02Å; N115-A117 VanDerWaalsContact C-N 3.32Å; N115-A117 PolarHBondContact O-N 3.04Å; N115-F118 PolarHBondContact O-N 3.29Å; N115-T119 PolarHBondContact O-N 3.22Å
116Q58.4Low58.9Low120 Ų12088 Ų8856%0.56149%0.492SS*.Hα-helixtrans-63.1-37.8174.2-79.1172.896.200112.4I112 E113 F118 T119I112-Q116 VanDerWaalsContact CG2-NE2 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.43Å; I112-Q116 PolarHBondContact O-N 3.48Å; I112-Q116 PolarHBondContact O-NE2 3.02Å; E113-Q116 PolarHBondContact O-N 2.83Å; Q116-F118 PolarHBondContact O-N 2.87Å; Q116-T119 WeakPolarHBondContact O-CB 3.3Å; Q116-T119 PolarHBondContact O-N 3.42Å; Q116-T119 PolarHBondContact O-OG1 3.46Å
117A53Low57.3Low74 Ų7488.2 Ų88.261%0.61250%0.498SS*.THydrogen-bonded Turntrans-62.1-9.5175.100000115.1E113 N115E113-A117 PolarHBondContact O-N 3Å; N115-A117 VanDerWaalsContact C-N 3.32Å; N115-A117 PolarHBondContact O-N 3.04Å
118F51.1Low55.9Low106 Ų10695 Ų9547%0.46553%0.533SS..THydrogen-bonded Turntrans-115.56.8172.3-62.7-64.1000114T89 M114 N115 Q116T89-F118 HydrophobicContact CG2-CB 4.18Å; M114-F118 WeakPolarHBondContact O-CD2 3.24Å; N115-F118 PolarHBondContact O-N 3.29Å; Q116-F118 PolarHBondContact O-N 2.87Å
119T38.5Very low54.3Low91 Ų91103 Ų10356%0.55856%0.56SS**SBendtrans-61.5133.8156.560.10000107.9N115 Q116 E121N115-T119 PolarHBondContact O-N 3.22Å; Q116-T119 WeakPolarHBondContact O-CB 3.3Å; Q116-T119 PolarHBondContact O-N 3.42Å; Q116-T119 PolarHBondContact O-OG1 3.46Å; T119-E121 PolarHBondContact O-N 2.94Å
120P40.8Very low52.9Low117 Ų11799.9 Ų99.976%0.7657%0.567SS**  trans-63.7114.6172.426.5-31.9000107.1T122P120-T122 PolarHBondContact O-N 2.98Å
121E33.9Very low51.7Low160 Ų160104.5 Ų104.575%0.74859%0.591SS**  trans-45.1119.3172.6-179.3179.3-148.200108T119 V123T119-E121 PolarHBondContact O-N 2.94Å; E121-V123 WeakPolarHBondContact O-CG2 3.27Å; E121-V123 PolarHBondContact O-N 3.46Å
122T43.7Very low50.6Low133 Ų133113.4 Ų113.482%0.81663%0.633SS**  trans-72.279.4176.850.60000107.9P120 P124P120-T122 PolarHBondContact O-N 2.98Å; T122-P124 WeakPolarHBondContact O-CD 3.3Å
123V39.7Very low49.4Very low102 Ų102116.9 Ų116.962%0.61865%0.651SS**  trans-44.5115.1-176.7-176.10000107.8E121 S125E121-V123 WeakPolarHBondContact O-CG2 3.27Å; E121-V123 PolarHBondContact O-N 3.46Å; V123-S125 WeakPolarHBondContact O-CA 3.22Å; V123-S125 PolarHBondContact O-N 3.49Å
124P50.1Low48.3Very low111 Ų111115.6 Ų115.672%0.72166%0.657SS**  trans-54.4112.8178.3-26.735.2000108T122 S126T122-P124 WeakPolarHBondContact O-CD 3.3Å; P124-S126 PolarHBondContact O-N 2.92Å
125S42.8Very low47.3Very low94 Ų94117.6 Ų117.666%0.65767%0.673SS**  trans-58.6102.2-152.456.50000111.4V123 N127V123-S125 WeakPolarHBondContact O-CA 3.22Å; V123-S125 PolarHBondContact O-N 3.49Å; S125-N127 PolarHBondContact O-N 2.95Å
126S42.5Very low46.5Very low97 Ų97121.2 Ų121.268%0.67871%0.707SS**  trans-66.8111.8-175-172.70000108.8P124 L128P124-S126 PolarHBondContact O-N 2.92Å; S126-L128 PolarHBondContact O-N 3.46Å
127N52.3Low45.4Very low136 Ų136123.3 Ų123.373%0.72772%0.716SS**  trans-7563-173.5-67.3-53.4000111.4S125 Y129S125-N127 PolarHBondContact O-N 2.95Å; N127-Y129 PolarHBondContact O-N 3.11Å
128L55.2Low44.4Very low143 Ų143129.1 Ų129.175%0.74973%0.728SS**  trans-70.7-14.9-177.4-160.167.4000112.9S126S126-L128 PolarHBondContact O-N 3.46Å
129Y48Very low43.5Very low198 Ų198130.7 Ų130.778%0.77675%0.746SS**SBendtrans-122.5108.7168.2-66.9-79.3000109.4N127 I131N127-Y129 PolarHBondContact O-N 3.11Å; Y129-I131 VanDerWaalsContact C-N 3.31Å; Y129-I131 PolarHBondContact O-N 3.3Å
130G45.8Very low43.1Very low80 Ų80135.1 Ų135.183%0.82576%0.758SS**  trans-75.271.4-173.500000114.1
131I50.2Low42.5Very low140 Ų140139.4 Ų139.472%0.71876%0.759SS**  trans-116.594.1172.4-54-179.3000109Y129 I133Y129-I131 VanDerWaalsContact C-N 3.31Å; Y129-I131 PolarHBondContact O-N 3.3Å; I131-I133 HydrophobicContact CG2-CG1 4.06Å; I131-I133 PolarHBondContact O-N 3.28Å
132Q49.6Very low42.4Very low187 Ų187139.6 Ų139.687%0.87476%0.764SS**  trans-77.2112.8170.7-68.4179.4-4700109.8
133I46.1Very low41.6Very low139 Ų139140.2 Ų140.271%0.71376%0.757SS**  trans-102.6107.7167.2-56-176.2000108.5I131 T135I131-I133 HydrophobicContact CG2-CG1 4.06Å; I131-I133 PolarHBondContact O-N 3.28Å; I133-T135 HydrophobicContact CG2-CG2 4.41Å; I133-T135 PolarHBondContact O-N 3.13Å
134S45.7Very low41.2Very low116 Ų116140.1 Ų140.181%0.81177%0.768SS**  trans-81.891.5-177.6-600000112.3
135T43.8Very low40.4Very low101 Ų101144.2 Ų144.262%0.6277%0.774SS**  trans-99.1102.8167.751.10000110.8I133 H137I133-T135 HydrophobicContact CG2-CG2 4.41Å; I133-T135 PolarHBondContact O-N 3.13Å; T135-H137 PolarHBondContact O-N 3.17Å
136A44.5Very low39.7Very low101 Ų101147.4 Ų147.484%0.83578%0.778SS**  trans-77.4112.1-17400000112.8
137H36.9Very low39Very low164 Ų164149 Ų14976%0.75979%0.789SS**  trans-110.3115.5167.2-66.5-74.1000110.4T135 T139T135-H137 PolarHBondContact O-N 3.17Å; H137-T139 PolarHBondContact O-N 3.39Å
138K31.9Very low37.9Very low196 Ų196150.7 Ų150.785%0.85280%0.798SS**  trans-92.379.4-162.3-175.2-179.2-179.4173.80112.2
139T31.3Very low36.6Very low139 Ų139148.1 Ų148.185%0.85380%0.797SS**  trans-81114.4168.5390000110.7H137 R141H137-T139 PolarHBondContact O-N 3.39Å; T139-R141 PolarHBondContact O-N 3.13Å
140K30.7Very low35.5Very low184 Ų184146.4 Ų146.480%0.880%0.802SS**  trans-76119.2170.1-76.3-175.1176.2-177.80109.8
141R28.2Very low34.9Very low207 Ų207147 Ų14778%0.78180%0.798SS**  trans-112.8131.9156.9173.7171.1163.4156.4-8.5107.8T139 E143T139-R141 PolarHBondContact O-N 3.13Å; R141-E143 IonicContact CZ-OE1 2.96Å; R141-E143 IonicContact NE-OE1 3.66Å; R141-E143 PolarHBondContact NE-OE1 3.34Å; R141-E143 IonicContact NH2-OE1 3.03Å; R141-E143 PolarHBondContact NH2-OE1 3.07Å
142L30.6Very low33.8Very low163 Ų163143.7 Ų143.785%0.85380%0.799SS**  trans-91.2132.7175.6-72.591.5000110.2
143E28.1Very low32.9Very low146 Ų146143 Ų14368%0.68280%0.801SS**  trans-146.1122.1160.5-68.7-176.3-165.400109.1R141R141-E143 IonicContact CZ-OE1 2.96Å; R141-E143 IonicContact NE-OE1 3.66Å; R141-E143 PolarHBondContact NE-OE1 3.34Å; R141-E143 IonicContact NH2-OE1 3.03Å; R141-E143 PolarHBondContact NH2-OE1 3.07Å
144A30.7Very low32.3Very low101 Ų101147.6 Ų147.684%0.83581%0.81SS**  trans-171.882160.400000112.4
145K33.2Very low32.3Very low197 Ų197147.6 Ų147.686%0.85781%0.807SS**  45.8142.5130-144.3164.8-173.2172.80122.7
146E29.1Very low31.6Very low160 Ų160147.8 Ų147.875%0.74882%0.819SS**  trans-72.1161.5-171.2-41.6105.6104.400116.4
147S26.9Very low30.9Very low130 Ų130147.5 Ų147.591%0.90982%0.816SS**  trans-161.7162.2131.1-84.60000112.8
148L29.4Very low31.1Very low172 Ų172145.8 Ų145.890%0.90182%0.819SS**  trans-94.6139.5-160.3179.776.4000114.7
149A27.7Very low30.8Very low90 Ų90139.5 Ų139.574%0.74481%0.811SS**  trans168.1113.2130.400000116.6
150N26Very low30.6Very low162 Ų162140.8 Ų140.887%0.86681%0.812SS**  trans44.8136.9133.2-151.520000125.1
151A32.2Very low30.7Very low91 Ų91140.2 Ų140.275%0.75281%0.812SS**  trans64.6135.3150.400000122.3
152G27.3Very low31.4Very low71 Ų71135 Ų13573%0.73281%0.805SS**  trans143.878.6151.900000120
153N30.2Very low31.3Very low172 Ų172134.7 Ų134.792%0.9280%0.799SS**  trans57.9139.4146.7-62.6-12.4000124.2
154R34.1Very low31.4Very low237 Ų237134.8 Ų134.889%0.89480%0.804SS**  trans-75.5-177.9160.2-95.6-174.4175.6-152.91.4111.8
155P46.3Very low31.3Very low116 Ų116138 Ų13875%0.75380%0.801SS**  cis-137.6173.4-35.237.6-21.8000113.6
156A28Very low31.6Very low105 Ų105133.2 Ų133.287%0.86879%0.791SS**  trans-165.9144.1143.800000112.9
157A30.7Very low31.4Very low94 Ų94131.1 Ų131.178%0.77779%0.794SS**  trans-131.8167.7157.300000106.4
158P39.8Very low32Very low128 Ų128133.5 Ų133.583%0.83180%0.795SS**  -152.5-179.468.941.5-21.8000116.4
159G25.8Very low32.1Very low65 Ų65130.1 Ų130.167%0.6779%0.792SS**  trans84.5130.3157.200000116.1
160D28.4Very low32.5Very low166 Ų166134.6 Ų134.689%0.88880%0.802SS**  cis-145.11692.8-110.1-53000112.8
161H32.2Very low32.7Very low172 Ų172129.9 Ų129.980%0.79679%0.791SS**  trans-145.3161.1177.6-137.5-109.1000106.7
162P43.6Very low32.7Very low97 Ų97133.4 Ų133.463%0.6380%0.797SS**  cis-126-152.61434.1-9.1000110.8
163Q28.2Very low33Very low156 Ų156136 Ų13673%0.72979%0.794SS**  cis-162.6135.411.8-158.5162.6-7700113.2
164L30.1Very low33.1Very low149 Ų149135.2 Ų135.278%0.7879%0.79SS**  trans36.8119.6150-55.3173000122.7
165E28.1Very low32.9Very low167 Ų167126.7 Ų126.778%0.7878%0.775SS**  21.4160106.7-69.2-69.99400120.8
166P38.8Very low32.2Very low98 Ų98125.8 Ų125.864%0.63678%0.777SS**  cis-140-175.8-23.538.5-20.7000114
167S26.3Very low32.3Very low116 Ų116128 Ų12881%0.81177%0.774SS**  158153.7125.7-710000116.2
168L39.9Very low32.2Very low179 Ų179129 Ų12994%0.93777%0.766SS**  trans-102.9153.1167.9-68.2157.6000110.4
169A30.7Very low31.8Very low102 Ų102129.5 Ų129.584%0.84376%0.758SS**  trans-158.6159.4163.700000113.4
170I36.7Very low31.9Very low183 Ų183134.1 Ų134.194%0.93876%0.762SS**  trans-136.8142.3174.8-64.3172.3000108.5
171G29.7Very low31.9Very low63 Ų63132.7 Ų132.765%0.64976%0.759SS**  trans160.1152.3173.500000109.4
172L32.3Very low31.6Very low165 Ų165129.2 Ų129.286%0.86476%0.76SS**  cis151.3-176.4-7.2-98.8179.5000105.4
173D32.3Very low30.9Very low127 Ų127135.2 Ų135.268%0.67977%0.77SS**  trans-68.8-179.9-170.751.3-87.3000116.4
174D33.1Very low31.5Very low155 Ų155133.9 Ų133.983%0.82978%0.775SS**  cis-158.5179.89.7-150.2-30.8000111.7
175G29.8Very low31.4Very low57 Ų57131.9 Ų131.959%0.58877%0.773SS**  trans113100.4133.300000122.5
176A31.2Very low31.4Very low97 Ų97128.8 Ų128.880%0.80278%0.776SS**  trans56.3160.3139.500000121.4
177L30.4Very low31.2Very low151 Ų151133.2 Ų133.279%0.79179%0.788SS**  cis-162.2145.623.4-165.483.6000113.5
178D29.3Very low32.1Very low115 Ų115133.8 Ų133.862%0.61579%0.789SS**  trans101.1128.3135.9-114.8-20.4000128.8
179Q31.2Very low31.7Very low140 Ų140130 Ų13065%0.65478%0.783SS**  trans86.7133.9131-109.8172.390.700127.6
180Q27Very low31.5Very low161 Ų161128.9 Ų128.975%0.75278%0.782SS**  trans79.8143.5155.2-61.1-178.723.400120.9
181V28.8Very low31.2Very low136 Ų136124.8 Ų124.882%0.82478%0.776SS**  cis-168.6165.8-36113.90000111.4
182A25.4Very low31.1Very low99 Ų99128.5 Ų128.582%0.81879%0.786SS**  trans89.1157.7161.300000121.8
183R29.2Very low30.9Very low223 Ų223129.9 Ų129.984%0.84279%0.785SS**  trans-155.5157.8-173.1-159-175.9-168.4169.34.6107.9
184P40.6Very low31.2Very low129 Ų129129.7 Ų129.784%0.83879%0.79SS**  -150-170.2109.437.4-18.4000114.9
185S28.3Very low30.8Very low107 Ų107126.5 Ų126.575%0.74879%0.786SS**  trans-113.7164.5-163.9-45.80000115
186A28.1Very low30.6Very low101 Ų101132.9 Ų132.984%0.83580%0.8SS**  trans-163.4149.3143.400000113.6
187Q34.8Very low30.2Very low191 Ų191137.2 Ų137.289%0.89380%0.804SS**  trans-134.3155.4159.5-73.3-168.3-47.700107.9
188P45.6Very low30.1Very low129 Ų129138 Ų13884%0.83880%0.803SS**  -150.1-161.99634.6-13.7000112.9
189A30.9Very low30.1Very low98 Ų98138.3 Ų138.381%0.8181%0.811SS**  -171.8141.6-61.500000110.7
190G26.2Very low29.8Very low80 Ų80141.1 Ų141.183%0.82582%0.821SS**  trans81.3163.6169.100000117.7
191A30.3Very low29.6Very low96 Ų96141.3 Ų141.379%0.79383%0.827SS**  cis-170.1179.6-14.800000111.8
192V29Very low29.6Very low142 Ų142139.8 Ų139.886%0.86182%0.822SS**  trans95.1151160.6-171.80000119.8
193K27.8Very low29.5Very low194 Ų194139.3 Ų139.384%0.84382%0.818SS**  trans-153.3-178.9-171.4-84.6-164.9176.7-171.40108.8
194P37.8Very low29.3Very low122 Ų122134.1 Ų134.179%0.79282%0.816SS**  cis-142.4-138.118.545.6-22.7000115
195A24.5Very low28.7Very low89 Ų89135.5 Ų135.574%0.73682%0.815SS**  trans74.8130.8173.100000116.6
196E26.3Very low28.6Very low190 Ų190140 Ų14089%0.88882%0.821SS**  cis71.2117.421.2-64.6-153.1110.800118.4
197E23.4Very low28.6Very low189 Ų189144 Ų14488%0.88382%0.822SS**  -158.3159.9126.2-138.1-175.4101.500112.6
198H27.6Very low28.1Very low167 Ų167143.5 Ų143.577%0.77382%0.82SS**  trans-132.1148.9176.7-120.2-77.9000107.8
199P29.7Very low27Very low122 Ų122146.2 Ų146.279%0.79282%0.818SS**  trans-110.8164.5151.2-9.129.1000113.9
200K23.8Very low26.7Very low199 Ų199146.3 Ų146.387%0.86581%0.812SS**  trans-156.8167.3-173.8-171.8173.5-179.2177.70110.1
201L24.6Very low26.4Very low165 Ų165149.4 Ų149.486%0.86481%0.809SS**  trans110.7143.6173.7-63.9163.5000113.7
202S27Very low26.1Very low104 Ų104149.2 Ų149.273%0.72780%0.802SS**  cis-162.9139.5-6.245.70000115.4
203A23.4Very low25.9Very low89 Ų89150.7 Ų150.774%0.73680%0.8SS**  trans28.9131144.200000125.1
204S26.5Very low26.9Very low113 Ų113146.1 Ų146.179%0.7979%0.79SS**  -179.6115.2123.3-77.20000109.6
205I26.8Very low26.3Very low159 Ų159146.1 Ų146.182%0.81579%0.787SS**  66.2104.177.8-59.2173.3000114.9
206K27.6Very low26.5Very low202 Ų202148.1 Ų148.188%0.87879%0.79SS**  trans-160.1163.9135.1-122.5-171.2178.1-162.40111.6
207Q26.4Very low26.6Very low183 Ų183143.7 Ų143.786%0.85578%0.78SS**  trans-155.7124.1-162.4173.9-169.42.600111.9
208E24.3Very low26.9Very low181 Ų181143.2 Ų143.285%0.84678%0.778SS**  trans-162.7132162.1-98.9164.7109.200104.9
209K24.4Very low27Very low187 Ų187139.9 Ų139.981%0.81377%0.773SS**  cis99.3141.732.1-169.3172.4178.5-172.60113
210C23Very low26.7Very low99 Ų99139.5 Ų139.567%0.66977%0.772SS**  trans-41.5165.6175.6-35.70000115.1
211D20.8Very low26.9Very low145 Ų145136.5 Ų136.578%0.77577%0.771SS**  cis-155-156.233.7-139.2-59.3000114.9
212S24.1Very low28Very low92 Ų92133.9 Ų133.964%0.64376%0.764SS**  trans-117.6165.5-152.8-390000115.2
213E24.5Very low28.7Very low173 Ų173135 Ų13581%0.80877%0.769SS**  trans67.6167.2155.6-68.6-74.586.600118.3
214P48.2Very low28.9Very low99 Ų99136 Ų13664%0.64377%0.77SS**  cis-133.4-143.8-49.337.3-20.5000112.1
215V26.5Very low29.9Very low121 Ų121136.8 Ų136.873%0.73377%0.773SS**  trans104.8104.7157.9-1780000119.2
216V28.1Very low30Very low132 Ų132132.9 Ų132.980%0.877%0.771SS**  trans55.7146.6132.91740000120.7
217S27.2Very low30.3Very low96 Ų96130 Ų13067%0.67177%0.77SS**  cis-175.3-178.5-23.9-81.30000108.8
218Q31.6Very low30.7Very low179 Ų179127 Ų12784%0.83676%0.764SS**  trans81.194.8155.1-68.8-178.61.600121.6
219S28.1Very low31Very low97 Ų97125.9 Ų125.968%0.67876%0.764SS**  55.8119.1118.462.50000124.7
220C24.1Very low32.2Very low114 Ų114122.2 Ų122.277%0.7776%0.759SS**  88.2106.2123.1-67.80000124.3
221T28.1Very low32.8Very low137 Ų137123.7 Ų123.784%0.8477%0.765SS**  trans82.1154.9132.445.30000121.9
222P47.4Very low33.5Very low110 Ų110125.9 Ų125.971%0.71477%0.768SS**  trans-114.9-177-148.444.8-36.5000116
223P40.9Very low34.5Very low127 Ų127126.6 Ų126.683%0.82578%0.78SS**  -140.2177.7100.737.9-23.8000116.4
224S28.9Very low35.4Very low110 Ų110128 Ų12877%0.76978%0.783SS**  trans-90.6-168.9-169.9-20.30000114.4
225P47.3Very low35.4Very low130 Ų130127.9 Ų127.984%0.84479%0.791SS**  cis-130.6170-27.936.1-19.5000114.2
226G29Very low36.7Very low76 Ų76127 Ų12778%0.78479%0.79SS**  trans-170.182.9176.800000119.9
227V33.2Very low38.3Very low141 Ų141125 Ų12586%0.85578%0.78SS**  trans31.498.3144-170.70000120.6
228V34.7Very low40.2Very low121 Ų121128.7 Ų128.773%0.73378%0.784SS**  trans24.8130.3149.9-70.20000123.8
229N31.4Very low42.4Very low158 Ų158123.4 Ų123.485%0.84576%0.764SS**  -162.8165104.1-102.1-23.7000112.6
230P49.5Very low44.8Very low109 Ų109121.3 Ų121.371%0.70874%0.743SS**  trans-113.7142.7-15139.1-32.7000117.2
231T35.9Very low47.6Very low130 Ų130120.8 Ų120.880%0.79873%0.732SS**  trans-160.7164.8148.7-17.80000111.8
232F34.5Very low50.1Low191 Ų191114.4 Ų114.484%0.83869%0.693SS**  trans63.5102.1177.4-68.8-79.4000117.6K234F232-K234 PolarHBondContact O-N 2.74Å; F232-K234 VanDerWaalsContact O-N 3.11Å
233A45.9Very low51.2Low107 Ų107117.7 Ų117.788%0.88470%0.698SS**  trans-68.9101.7164.300000110.4A235A233-A235 PolarHBondContact O-N 2.9Å
234K42.2Very low52.5Low202 Ų202117 Ų11788%0.87868%0.68SS**PPolyproline II helixtrans-64.1125.6160.2-82.3-177173.1178.90108.3F232 S236F232-K234 PolarHBondContact O-N 2.74Å; F232-K234 VanDerWaalsContact O-N 3.11Å; K234-S236 PolarHBondContact O-N 2.83Å
235A49.8Very low54.9Low97 Ų97114.8 Ų114.880%0.80266%0.664SS**PPolyproline II helixtrans-56.8131.116900000109.1A233A233-A235 PolarHBondContact O-N 2.9Å
236S53.2Low56.3Low104 Ų104110.7 Ų110.773%0.72765%0.645SS**PPolyproline II helixtrans-63.6132.9172.239.60000109.2K234 K238K234-S236 PolarHBondContact O-N 2.83Å; S236-K238 PolarHBondContact O-N 2.9Å
237P60.7Low58.9Low88 Ų88111.8 Ų111.857%0.57163%0.63SS**PPolyproline II helixtrans-59.4134.9169.726.3-32.8000108.1V239P237-V239 VanDerWaalsContact C-N 3.28Å; P237-V239 PolarHBondContact O-N 2.84Å
238K67.3Low61.4Low175 Ų175114.6 Ų114.676%0.76163%0.625SS**  trans-71.588.8174.8-72.9-179.1178.5176.50108.1S236 H240S236-K238 PolarHBondContact O-N 2.9Å; K238-H240 PolarHBondContact O-CD2 2.84Å; K238-H240 PolarHBondContact O-N 2.93Å; K238-H240 VanDerWaalsContact O-N 3.1Å; K238-H240 PolarHBondContact O-NE2 3.04Å
239V78.6Confident63.7Low68 Ų68110.5 Ų110.541%0.41260%0.598SS.*  trans-62.8113.7174.8-178.50000108.2P237 R248P237-V239 VanDerWaalsContact C-N 3.28Å; P237-V239 PolarHBondContact O-N 2.84Å; V239-R248 HydrophobicContact CG1-CB 3.84Å; V239-R248 HydrophobicContact CG1-CG 3.93Å
240H79.1Confident66.1Low52 Ų52109.5 Ų109.524%0.24159%0.593CS.*EExtended strand (participates in β ladder)trans-86.4135.1176.7-71-78.7000109.1K238 R248 F249 W252 L255K238-H240 PolarHBondContact O-CD2 2.84Å; K238-H240 PolarHBondContact O-N 2.93Å; K238-H240 VanDerWaalsContact O-N 3.1Å; K238-H240 PolarHBondContact O-NE2 3.04Å; H240-R248 WeakPolarHBondContact O-CA 3.17Å; H240-F249 HydrophobicContact CB-CB 4.37Å; H240-F249 PolarHBondContact N-O 3.15Å; H240-F249 PolarHBondContact O-N 2.94Å; H240-W252 PolarHBondContact CD2-N 3.34Å; H240-W252 AromaticContact CE1-CE3 3.7Å; H240-W252 AromaticContact ND1-CE3 3.42Å; H240-L255 HydrophobicContact CB-CB 4Å; H240-L255 HydrophobicContact CB-CD2 3.8Å
241L82.6Confident67.6Low104 Ų104107.3 Ų107.355%0.54558%0.58SS.*EExtended strand (participates in β ladder)trans-115.2132.4-174.8-78.2161.3000110.4H243 E247 R248L241-H243 PolarHBondContact O-N 3.48Å; L241-E247 WeakPolarHBondContact CA-O 3.48Å; L241-R248 HydrophobicContact CD2-CG 3.56Å
242C79.3Confident68.9Low3 Ų3108.1 Ų108.12%0.0257%0.568CS.*  trans-75121.7169.3-177.90000110.5Y244 G246 E247 F249 L255 H258C242-Y244 PolarHBondContact O-N 3.34Å; C242-Y244 PolarHBondContact SG-N 2.96Å; C242-G246 VanDerWaalsContact O-CA 3.28Å; C242-G246 WeakPolarHBondContact O-CA 3.32Å; C242-G246 PolarHBondContact O-N 3.06Å; C242-E247 PolarHBondContact N-O 2.9Å; C242-F249 HydrophobicContact CB-CE2 4.17Å; C242-L255 HydrophobicContact CB-CD1 3.7Å; C242-H258 PolarHBondContact SG-CD2 3.17Å; C242-H258 PolarHBondContact SG-NE2 3.47Å
243H72.1Confident70.8Confident178 Ų178101.1 Ų101.182%0.82455%0.55SS**THydrogen-bonded Turntrans-67.1-20.9179.2-168.658.5000113.5L241L241-H243 PolarHBondContact O-N 3.48Å
244Y67.2Low72.3Confident114 Ų11496.9 Ų96.945%0.44752%0.517SS..THydrogen-bonded Turntrans-90.7-27.7-175-66.6-80.5000114.5M16 C242 L259 H262M16-Y244 HydrophobicContact CE-CE2 3.99Å; M16-Y244 VanDerWaalsContact CE-OH 3.29Å; M16-Y244 WeakPolarHBondContact CE-OH 3.31Å; C242-Y244 PolarHBondContact O-N 3.34Å; C242-Y244 PolarHBondContact SG-N 2.96Å; Y244-L259 HydrophobicContact CD2-CD2 3.96Å; Y244-L259 HydrophobicContact CE2-CD2 4.32Å; Y244-H262 VanDerWaalsContact CB-CE1 3.47Å; Y244-H262 WeakPolarHBondContact CB-CE1 3.26Å
245C79.4Confident74Confident62 Ų6287.7 Ų87.742%0.41948%0.477SS..THydrogen-bonded Turntrans-132.6-10.3179.266.80000115.4H258C245-H258 PolarHBondContact SG-CE1 3.46Å; C245-H258 PolarHBondContact SG-NE2 3.21Å
246G77.8Confident75.3Confident45 Ų4589.5 Ų89.546%0.46446%0.464SS..  trans81.63.3-178.300000116.1C242C242-G246 VanDerWaalsContact O-CA 3.28Å; C242-G246 WeakPolarHBondContact O-CA 3.32Å; C242-G246 PolarHBondContact O-N 3.06Å
247E82.9Confident76.4Confident99 Ų9991.4 Ų91.446%0.46346%0.461SS..  trans-60.6148.8176.5-77.7176-147.800112.7L241 C242 F249 H258L241-E247 WeakPolarHBondContact CA-O 3.48Å; C242-E247 PolarHBondContact N-O 2.9Å; E247-F249 HydrophobicContact CB-CE2 3.58Å; E247-F249 HydrophobicContact CB-CZ 3.62Å; E247-H258 VanDerWaalsContact CD-CE1 3.41Å; E247-H258 IonicContact OE1-CE1 3.37Å; E247-H258 IonicContact OE2-CE1 3.18Å; E247-H258 PolarHBondContact OE2-CE1 2.8Å; E247-H258 IonicContact OE2-ND1 2.87Å; E247-H258 PolarHBondContact OE2-ND1 2.84Å
248R84.6Confident77.3Confident200 Ų20088.2 Ų88.276%0.75544%0.438SS*.EExtended strand (participates in β ladder)trans-109.6134.6-173.9-70.3175.9-176.3-172.51.4110.6V239 H240 L241V239-R248 HydrophobicContact CG1-CB 3.84Å; V239-R248 HydrophobicContact CG1-CG 3.93Å; H240-R248 WeakPolarHBondContact O-CA 3.17Å; L241-R248 HydrophobicContact CD2-CG 3.56Å
249F83.7Confident77.5Confident34 Ų3481.3 Ų81.315%0.14941%0.409CS..EExtended strand (participates in β ladder)trans-130.7130.5-179.2-57.9-82.4000110.4H240 C242 E247 S251 L255 H258H240-F249 HydrophobicContact CB-CB 4.37Å; H240-F249 PolarHBondContact N-O 3.15Å; H240-F249 PolarHBondContact O-N 2.94Å; C242-F249 HydrophobicContact CB-CE2 4.17Å; E247-F249 HydrophobicContact CB-CE2 3.58Å; E247-F249 HydrophobicContact CB-CZ 3.62Å; F249-S251 WeakPolarHBondContact CB-O 3.45Å; F249-S251 PolarHBondContact O-N 3.18Å; F249-L255 HydrophobicContact CB-CB 4.11Å; F249-L255 HydrophobicContact CD2-CB 3.84Å; F249-L255 HydrophobicContact CD2-CD1 3.83Å; F249-L255 HydrophobicContact CD2-CG 4.41Å; F249-L255 HydrophobicContact CE2-CD1 3.99Å; F249-L255 HydrophobicContact CG-CB 4.04Å; F249-H258 HydrophobicContact CE1-CB 3.69Å; F249-H258 HydrophobicContact CE2-CB 3.95Å; F249-H258 AromaticContact CE2-CD2 3.98Å; F249-H258 AromaticContact CE2-CG 3.77Å; F249-H258 HydrophobicContact CZ-CB 3.35Å; F249-H258 AromaticContact CZ-CD2 3.92Å; F249-H258 AromaticContact CZ-CG 3.26Å; F249-H258 AromaticContact CZ-ND1 3.46Å; F249-H258 WeakPolarHBondContact CZ-ND1 3.29Å
250D81.8Confident77Confident138 Ų13881.5 Ų81.574%0.73841%0.406SS*.SBendtrans-77-1.1177.1-57.6-54.6000112.9
251S80.5Confident76.6Confident63 Ų6383 Ų8344%0.44142%0.419SS..SBendtrans-144.6152.7172.475.20000112.8F249 G253 G254 L255F249-S251 WeakPolarHBondContact CB-O 3.45Å; F249-S251 PolarHBondContact O-N 3.18Å; S251-G253 PolarHBondContact O-N 2.93Å; S251-G254 PolarHBondContact O-N 3.45Å; S251-G254 PolarHBondContact OG-N 3.2Å; S251-G254 VanDerWaalsContact OG-N 3.09Å; S251-L255 PolarHBondContact O-N 2.92Å
252W63.4Low75.8Confident146 Ų14680.1 Ų80.155%0.55340%0.403SS*.Hα-helixtrans-63.3-28171-177.1-115.7000112.6H240 L255 R256H240-W252 PolarHBondContact CD2-N 3.34Å; H240-W252 AromaticContact CE1-CE3 3.7Å; H240-W252 AromaticContact ND1-CE3 3.42Å; W252-L255 HydrophobicContact CE3-CD2 3.97Å; W252-L255 HydrophobicContact CZ3-CD2 3.77Å; W252-R256 WeakPolarHBondContact O-CB 3.47Å; W252-R256 PolarHBondContact O-N 3.04Å
253G73.9Confident74.9Confident45 Ų4583.8 Ų83.846%0.46442%0.424SS..Hα-helixtrans-63.2-49173.900000112S251 L255 R256 E257S251-G253 PolarHBondContact O-N 2.93Å; G253-L255 PolarHBondContact O-N 3.29Å; G253-R256 WeakPolarHBondContact O-CB 2.97Å; G253-R256 PolarHBondContact O-N 3.26Å; G253-R256 VanDerWaalsContact O-N 3.16Å; G253-E257 PolarHBondContact O-N 3.22Å
254G79.4Confident74.2Confident18 Ų1879.6 Ų79.619%0.18642%0.415CS..Hα-helixtrans-62.4-41.4176.500000113S251 R256 E257 H258S251-G254 PolarHBondContact O-N 3.45Å; S251-G254 PolarHBondContact OG-N 3.2Å; S251-G254 VanDerWaalsContact OG-N 3.09Å; G254-R256 PolarHBondContact O-N 3.44Å; G254-E257 PolarHBondContact O-N 3.36Å; G254-H258 WeakPolarHBondContact O-CB 3.45Å; G254-H258 PolarHBondContact O-N 3.48Å
255L76.8Confident73.4Confident9 Ų977.2 Ų77.25%0.04743%0.426CS..Hα-helixtrans-63.5-41.5172.9175.159.5000111.6H240 C242 F249 S251 W252 G253 H258 L259H240-L255 HydrophobicContact CB-CB 4Å; H240-L255 HydrophobicContact CB-CD2 3.8Å; C242-L255 HydrophobicContact CB-CD1 3.7Å; F249-L255 HydrophobicContact CB-CB 4.11Å; F249-L255 HydrophobicContact CD2-CB 3.84Å; F249-L255 HydrophobicContact CD2-CD1 3.83Å; F249-L255 HydrophobicContact CD2-CG 4.41Å; F249-L255 HydrophobicContact CE2-CD1 3.99Å; F249-L255 HydrophobicContact CG-CB 4.04Å; S251-L255 PolarHBondContact O-N 2.92Å; W252-L255 HydrophobicContact CE3-CD2 3.97Å; W252-L255 HydrophobicContact CZ3-CD2 3.77Å; G253-L255 PolarHBondContact O-N 3.29Å; L255-H258 PolarHBondContact O-N 3Å; L255-L259 HydrophobicContact CD1-CD1 3.97Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CG-CD1 3.91Å; L255-L259 HydrophobicContact CG-CG 4.39Å; L255-L259 WeakPolarHBondContact O-CB 3.24Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.36Å; L255-L259 PolarHBondContact O-N 3.39Å
256R76.7Confident72.2Confident135 Ų13578.3 Ų78.351%0.50943%0.434SS..Hα-helixtrans-59.4-50.2175.9169.2177.7-76.8-157.8-5.3110.8W252 G253 G254 L259 H260W252-R256 WeakPolarHBondContact O-CB 3.47Å; W252-R256 PolarHBondContact O-N 3.04Å; G253-R256 WeakPolarHBondContact O-CB 2.97Å; G253-R256 PolarHBondContact O-N 3.26Å; G253-R256 VanDerWaalsContact O-N 3.16Å; G254-R256 PolarHBondContact O-N 3.44Å; R256-L259 PolarHBondContact O-N 3.43Å; R256-H260 PolarHBondContact O-CE1 2.61Å; R256-H260 PolarHBondContact O-N 3Å; R256-H260 PolarHBondContact O-ND1 3.35Å
257E76.6Confident70.6Confident143 Ų14380 Ų8067%0.66843%0.432SS*.Hα-helixtrans-59.2-48.4178.3-176.2174.4-163.500111.3G253 G254 L259 H260G253-E257 PolarHBondContact O-N 3.22Å; G254-E257 PolarHBondContact O-N 3.36Å; E257-L259 VanDerWaalsContact C-N 3.29Å; E257-L259 PolarHBondContact O-N 2.99Å; E257-H260 VanDerWaalsContact O-CB 3.25Å; E257-H260 WeakPolarHBondContact O-CB 3.49Å; E257-H260 PolarHBondContact O-N 3.21Å
258H79.1Confident68.6Low21 Ų2180.6 Ų80.610%0.09744%0.444CS..Hα-helixtrans-56.9-40.3175.2171.289.9000112.7C242 C245 E247 F249 G254 L255 H260 T261 H262C242-H258 PolarHBondContact SG-CD2 3.17Å; C242-H258 PolarHBondContact SG-NE2 3.47Å; C245-H258 PolarHBondContact SG-CE1 3.46Å; C245-H258 PolarHBondContact SG-NE2 3.21Å; E247-H258 VanDerWaalsContact CD-CE1 3.41Å; E247-H258 IonicContact OE1-CE1 3.37Å; E247-H258 IonicContact OE2-CE1 3.18Å; E247-H258 PolarHBondContact OE2-CE1 2.8Å; E247-H258 IonicContact OE2-ND1 2.87Å; E247-H258 PolarHBondContact OE2-ND1 2.84Å; F249-H258 HydrophobicContact CE1-CB 3.69Å; F249-H258 HydrophobicContact CE2-CB 3.95Å; F249-H258 AromaticContact CE2-CD2 3.98Å; F249-H258 AromaticContact CE2-CG 3.77Å; F249-H258 HydrophobicContact CZ-CB 3.35Å; F249-H258 AromaticContact CZ-CD2 3.92Å; F249-H258 AromaticContact CZ-CG 3.26Å; F249-H258 AromaticContact CZ-ND1 3.46Å; F249-H258 WeakPolarHBondContact CZ-ND1 3.29Å; G254-H258 WeakPolarHBondContact O-CB 3.45Å; G254-H258 PolarHBondContact O-N 3.48Å; L255-H258 PolarHBondContact O-N 3Å; H258-H260 PolarHBondContact O-N 3.03Å; H258-T261 WeakPolarHBondContact O-CB 3.28Å; H258-T261 PolarHBondContact O-N 3.47Å; H258-T261 PolarHBondContact O-OG1 2.79Å; H258-H262 AromaticContact CD2-CD2 3.84Å; H258-H262 AromaticContact CD2-NE2 3.74Å; H258-H262 AromaticContact CE1-NE2 3.58Å; H258-H262 AromaticContact NE2-CD2 3.44Å; H258-H262 PolarHBondContact NE2-CD2 3.43Å; H258-H262 AromaticContact NE2-NE2 2.88Å; H258-H262 PolarHBondContact NE2-NE2 3.44Å
259L71.7Confident66.7Low30 Ų3079.8 Ų79.816%0.15745%0.447CS..Hα-helixtrans-63.4-19.1176.4-74166.4000113.4F20 Y244 L255 R256 E257 T261 V263F20-L259 HydrophobicContact CZ-CD1 4.22Å; Y244-L259 HydrophobicContact CD2-CD2 3.96Å; Y244-L259 HydrophobicContact CE2-CD2 4.32Å; L255-L259 HydrophobicContact CD1-CD1 3.97Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CG-CD1 3.91Å; L255-L259 HydrophobicContact CG-CG 4.39Å; L255-L259 WeakPolarHBondContact O-CB 3.24Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.36Å; L255-L259 PolarHBondContact O-N 3.39Å; R256-L259 PolarHBondContact O-N 3.43Å; E257-L259 VanDerWaalsContact C-N 3.29Å; E257-L259 PolarHBondContact O-N 2.99Å; L259-T261 VanDerWaalsContact C-N 3.34Å; L259-V263 PolarHBondContact O-N 2.85Å
260H69.1Low64.9Low72 Ų7281.5 Ų81.533%0.33347%0.474SS..Hα-helixtrans-68.6-34.2170-66.356.4000111.6R256 E257 H258 H262 V263 S264R256-H260 PolarHBondContact O-CE1 2.61Å; R256-H260 PolarHBondContact O-N 3Å; R256-H260 PolarHBondContact O-ND1 3.35Å; E257-H260 VanDerWaalsContact O-CB 3.25Å; E257-H260 WeakPolarHBondContact O-CB 3.49Å; E257-H260 PolarHBondContact O-N 3.21Å; H258-H260 PolarHBondContact O-N 3.03Å; H260-H262 VanDerWaalsContact C-N 3.29Å; H260-H262 PolarHBondContact O-N 3.1Å; H260-V263 PolarHBondContact O-N 2.77Å; H260-V263 VanDerWaalsContact O-N 3.15Å; H260-S264 WeakPolarHBondContact O-CB 3.37Å; H260-S264 PolarHBondContact O-N 3.03Å; H260-S264 PolarHBondContact O-OG 3.46Å
261T70.1Confident63.2Low84 Ų8477.8 Ų77.852%0.51546%0.456SS..Hα-helixtrans-66.1-31.8-179.670.20000112.3H258 L259 G265H258-T261 WeakPolarHBondContact O-CB 3.28Å; H258-T261 PolarHBondContact O-N 3.47Å; H258-T261 PolarHBondContact O-OG1 2.79Å; L259-T261 VanDerWaalsContact C-N 3.34Å; T261-G265 WeakPolarHBondContact O-CA 3.36Å; T261-G265 PolarHBondContact O-N 3.17Å
262H65.3Low61.3Low44 Ų4478.6 Ų78.620%0.20446%0.46CS..Hα-helixtrans-64.6-50.2169.3-69.8-83.7000111.4Y244 H258 H260 S264 G265 S266Y244-H262 VanDerWaalsContact CB-CE1 3.47Å; Y244-H262 WeakPolarHBondContact CB-CE1 3.26Å; H258-H262 AromaticContact CD2-CD2 3.84Å; H258-H262 AromaticContact CD2-NE2 3.74Å; H258-H262 AromaticContact CE1-NE2 3.58Å; H258-H262 AromaticContact NE2-CD2 3.44Å; H258-H262 PolarHBondContact NE2-CD2 3.43Å; H258-H262 AromaticContact NE2-NE2 2.88Å; H258-H262 PolarHBondContact NE2-NE2 3.44Å; H260-H262 VanDerWaalsContact C-N 3.29Å; H260-H262 PolarHBondContact O-N 3.1Å; H262-S264 PolarHBondContact O-N 3.48Å; H262-G265 PolarHBondContact O-N 3.19Å; H262-S266 PolarHBondContact O-N 3.11Å; H262-S266 PolarHBondContact O-OG 3.46Å
263V61.2Low60.4Low79 Ų7975 Ų7548%0.47946%0.461SS..Hα-helixtrans-63.5-39.9-178.81760000112.2L259 H260L259-V263 PolarHBondContact O-N 2.85Å; H260-V263 PolarHBondContact O-N 2.77Å; H260-V263 VanDerWaalsContact O-N 3.15Å
264S57.2Low59Low90 Ų9077.1 Ų77.163%0.62947%0.469SS*.Hα-helixtrans-79.2-20.9177.6-61.10000114H260 H262H260-S264 WeakPolarHBondContact O-CB 3.37Å; H260-S264 PolarHBondContact O-N 3.03Å; H260-S264 PolarHBondContact O-OG 3.46Å; H262-S264 PolarHBondContact O-N 3.48Å
265G50.7Low57.4Low65 Ų6581 Ų8167%0.6749%0.485SS*.Hα-helixtrans-106-21.6-170.300000116.8T261 H262T261-G265 WeakPolarHBondContact O-CA 3.36Å; T261-G265 PolarHBondContact O-N 3.17Å; H262-G265 PolarHBondContact O-N 3.19Å
266S53.8Low56Low84 Ų8486 Ų8659%0.58751%0.51SS*.SBendtrans-138.27.5-164.469.20000118.1H262H262-S266 PolarHBondContact O-N 3.11Å; H262-S266 PolarHBondContact O-OG 3.46Å
267L43.6Very low54.3Low81 Ų8187.6 Ų87.642%0.42452%0.524SS..  trans-112.9133.8176.3-73174.2000113.1F269L267-F269 PolarHBondContact O-N 2.92Å; L267-F269 VanDerWaalsContact O-N 3.08Å
268P42Very low52.6Low112 Ų11285.4 Ų85.473%0.72752%0.524SS*.SBendtrans-74.74.2-177.331.4-36.6000114.6
269F44.8Very low51Low182 Ų18290.3 Ų90.380%0.79856%0.561SS**SBendtrans-120.378.4177.3-64.5-72.8000109.2L267 V271L267-F269 PolarHBondContact O-N 2.92Å; L267-F269 VanDerWaalsContact O-N 3.08Å; F269-V271 PolarHBondContact O-N 3.08Å
270G45.6Very low49.8Very low71 Ų7195.5 Ų95.573%0.73259%0.589SS**PPolyproline II helixtrans-61.5116.4-17400000113.1
271V45.8Very low48.3Very low59 Ų59100.6 Ų100.636%0.35862%0.618SS.*PPolyproline II helixtrans-89.1124.2165.1175.80000107.9F22 F269 A273 I275F22-V271 HydrophobicContact CE1-CG1 4.33Å; F22-V271 HydrophobicContact CE1-CG2 3.97Å; F22-V271 HydrophobicContact CE2-CG1 4.01Å; F22-V271 HydrophobicContact CZ-CB 4.35Å; F22-V271 HydrophobicContact CZ-CG1 3.49Å; F22-V271 VanDerWaalsContact CZ-CG1 3.49Å; F22-V271 HydrophobicContact CZ-CG2 3.89Å; F269-V271 PolarHBondContact O-N 3.08Å; V271-A273 PolarHBondContact O-N 3.45Å; V271-I275 HydrophobicContact CG1-CD1 4.09Å
272P39.9Very low46.5Very low81 Ų8199.7 Ų99.753%0.52663%0.625SS.*PPolyproline II helixtrans-61.6134176.7-24.334.9000112.3S274P272-S274 PolarHBondContact O-N 3.44Å; P272-S274 VanDerWaalsContact O-N 3.13Å
273A45.1Very low44.9Very low69 Ų69105.7 Ų105.757%0.5765%0.653SS**G310 helixtrans-60.6-23.1-179.400000113.8V271 I275 L276V271-A273 PolarHBondContact O-N 3.45Å; A273-I275 PolarHBondContact O-N 3.37Å; A273-L276 PolarHBondContact O-N 3.33Å
274S44.3Very low43.4Very low90 Ų90108.8 Ų108.863%0.62967%0.672SS**G310 helixtrans-68.718.7179.948.50000115.7P272P272-S274 PolarHBondContact O-N 3.44Å; P272-S274 VanDerWaalsContact O-N 3.13Å
275I46.6Very low42Very low100 Ų100111.1 Ų111.151%0.51367%0.673SS.*G310 helixtrans-98.4-18.5166.7-62.2177.2000111.3F22 V271 A273F22-I275 HydrophobicContact CE2-CD1 4.3Å; F22-I275 HydrophobicContact CE2-CG2 4.29Å; V271-I275 HydrophobicContact CG1-CD1 4.09Å; A273-I275 PolarHBondContact O-N 3.37Å
276L46Very low41Very low113 Ų113115 Ų11559%0.59268%0.677SS**SBendtrans-101.7-3.1-173.5-70.2145.9000113.5A273 S278A273-L276 PolarHBondContact O-N 3.33Å; L276-S278 PolarHBondContact O-N 2.94Å
277E42.3Very low39.8Very low169 Ų169118.2 Ų118.279%0.7969%0.687SS**  trans-84.539.4-175.6-155.7169.6-157.100112.8
278S41Very low39.1Very low97 Ų97118.9 Ų118.968%0.67870%0.704SS**  trans-109.871.4177.767.50000111.3L276 D280L276-S278 PolarHBondContact O-N 2.94Å; S278-D280 PolarHBondContact O-N 3.33Å
279S45.8Very low38.7Very low125 Ų125122.4 Ų122.487%0.87471%0.711SS**  trans-74.567.2176.6-56.60000112.1
280D44.9Very low38Very low139 Ų139121.5 Ų121.574%0.74372%0.715SS**  trans-145.684.3174.1-160.40.5000111.9S278S278-D280 PolarHBondContact O-N 3.33Å
281L37.6Very low37.3Very low179 Ų179128.8 Ų128.894%0.93772%0.72SS**  trans-129.898.4159-77.1-179.6000107.5E283L281-E283 PolarHBondContact O-N 2.96Å
282G33.3Very low36.5Very low64 Ų64135.5 Ų135.566%0.6675%0.747SS**  trans-57.2124.9-176.400000114
283E31.4Very low36Very low170 Ų170136 Ų13679%0.79476%0.759SS**  trans-25123.6159.8-171.6166.1-152.800115.3L281 Q285L281-E283 PolarHBondContact O-N 2.96Å; E283-Q285 PolarHBondContact O-N 2.88Å; E283-Q285 VanDerWaalsContact O-N 3.15Å
284V29.8Very low35.2Very low144 Ų144139.1 Ų139.187%0.87378%0.776SS**  trans-84.985.9177.2-177.80000109.8L286V284-L286 PolarHBondContact O-N 2.94Å
285Q27.6Very low34.4Very low140 Ų140138.8 Ų138.865%0.65479%0.787SS**  trans-77.5114.3172.8-172.362.148.800110.9E283 L287E283-Q285 PolarHBondContact O-N 2.88Å; E283-Q285 VanDerWaalsContact O-N 3.15Å; Q285-L287 HydrophobicContact CG-CG 4.37Å
286L29.5Very low33.4Very low145 Ų145137.5 Ų137.576%0.75980%0.799SS**  trans-82.9118.4173-163.6175.9000109.2V284V284-L286 PolarHBondContact O-N 2.94Å
287L28.3Very low32.6Very low152 Ų152141.1 Ų141.180%0.79681%0.812SS**  trans-137.7149.2167-77.8178000111.2Q285Q285-L287 HydrophobicContact CG-CG 4.37Å
288A30.3Very low32.8Very low95 Ų95137.8 Ų137.879%0.78581%0.805SS**  trans-97.4168.7-170.800000113.3
289E33.8Very low32.2Very low187 Ų187142 Ų14287%0.87482%0.819SS**  trans-60.9141.8175.7-62.1172.481.900113.2
290N28.3Very low31.3Very low163 Ų163139.3 Ų139.387%0.87281%0.812SS**  -151.3174.1120.2-124.2-69.6000113.5
291R32.6Very low30.5Very low223 Ų223138.2 Ų138.284%0.84281%0.81SS**  trans-125.6141.2-154.2168.9-166.2-174.5-172.74.4110.7
292E28.5Very low30Very low200 Ų200138.8 Ų138.894%0.93581%0.805SS**  trans-165.3163.6144.5-115167.1-171.100112.2
293A29Very low29.9Very low92 Ų92142 Ų14276%0.7681%0.806SS**  trans-156.4141.5-169.800000113.5
294S28.2Very low29.8Very low134 Ų134141.7 Ų141.794%0.93781%0.809SS**  trans177.5160.8155.6-86.50000112.1
295G27.3Very low29.7Very low84 Ų84138.4 Ų138.487%0.86681%0.805SS**  trans123.3103163.100000114.5
296G25.7Very low29.7Very low73 Ų73134.9 Ų134.975%0.75381%0.806SS**  trans-113.3160.4-169.400000117.3
297H30.6Very low29.6Very low189 Ų189135.5 Ų135.588%0.87581%0.81SS**  trans74.5167.4136.6-101.8-42.2000119.6
298P46.1Very low29.8Very low99 Ų99135.1 Ų135.164%0.64380%0.804SS**  -132.7176-11546.2-31.3000117
299L28.8Very low29.8Very low184 Ų184137.7 Ų137.796%0.96380%0.8SS**  trans-151.4157.5155-86.3115.8000108.6
300G26.6Very low29.6Very low70 Ų70136 Ų13672%0.72279%0.792SS**  cis-173.1158.5-3.200000111.6
301T28.3Very low29.5Very low115 Ų115133 Ų13371%0.70679%0.79SS**  trans-92.9146.1-164.1-49.80000115.5L303T301-L303 HydrophobicContact CG2-CD1 4.05Å; T301-L303 HydrophobicContact CG2-CG 4.01Å
302F25.5Very low29.1Very low192 Ų192126.1 Ų126.184%0.84279%0.788SS**  trans-167.2131.3142.7-98.7-75.9000107.6
303L31.5Very low29.1Very low130 Ų130127.7 Ų127.768%0.68179%0.786SS**  cis70.4128.835.9-61.1177.3000113T301T301-L303 HydrophobicContact CG2-CD1 4.05Å; T301-L303 HydrophobicContact CG2-CG 4.01Å
304L29Very low29.5Very low164 Ų164129 Ų12986%0.85979%0.786SS**  cis-140-178.54.5-69.799.7000109.2
305G27.9Very low29.4Very low76 Ų76127.2 Ų127.278%0.78477%0.774SS**  cis149.3150.6-7.300000113
306G27.2Very low29.5Very low66 Ų66130.9 Ų130.968%0.6877%0.768SS**  trans80.7153169.800000118.5
307D28.6Very low29.5Very low158 Ų158132.2 Ų132.285%0.84577%0.766SS**  cis-156.1160.9-12.3-97.9-42.1000115.7
308E31.3Very low29.3Very low144 Ų144129.8 Ų129.867%0.67376%0.759SS**  trans-25.6174.6176.3-61-167.891.800126.3
309H31.1Very low28.5Very low148 Ų148133.5 Ų133.569%0.68577%0.773SS**  trans110.6139.8151.2-69.779.1000118.3
310Q29.6Very low28.5Very low153 Ų153131.6 Ų131.672%0.71576%0.759SS**  cis-169171.7-32-127.7-164.171.400110.9
311A26.7Very low29.1Very low100 Ų100132.9 Ų132.983%0.82676%0.755SS**  trans65.7153.116900000119
312G23.8Very low29Very low78 Ų78135.1 Ų135.180%0.80476%0.761SS**  cis-172.7172.3-400000113.5
313R28.7Very low29.2Very low233 Ų233133.6 Ų133.688%0.87976%0.757SS**  trans-134.1148178.9-99.8-169.2176.5-143.13.4111.6
314P36.8Very low29.3Very low118 Ų118135.8 Ų135.877%0.76677%0.768SS**  -131.3164.6106.99.913.7000111.5
315S26.6Very low29.3Very low98 Ų98131.2 Ų131.269%0.68576%0.76SS**  69135.150.9-500000113
316H29.9Very low29.4Very low161 Ų161135.6 Ų135.675%0.74576%0.76SS**  cis-154.4179.13.2-141.4-106.8000107.2
317S25.9Very low29.5Very low101 Ų101141.3 Ų141.371%0.70677%0.774SS**  cis-151.7-155.917.1-57.30000111.8
318D25.5Very low29.5Very low138 Ų138137.7 Ų137.774%0.73876%0.761SS**  trans-83.2156.3-168.6-42.5-104000118.1
319L30.2Very low29.6Very low176 Ų176139.2 Ų139.292%0.92177%0.773SS**  -173.6125.3123.3-99.1178.5000111.9
320E28.2Very low29.6Very low145 Ų145140.2 Ų140.268%0.67878%0.782SS**  trans-99.2176169.1-99.4-82.9108.600109.5
321P38.5Very low29.5Very low97 Ų97137.5 Ų137.563%0.6378%0.78SS**  cis-136167.812.441.4-24000117.9
322L26.3Very low29.8Very low161 Ų161141.1 Ų141.184%0.84378%0.777SS**  -174.6146.6113.1-100.6170.8000113.4
323Q30.9Very low30.3Very low160 Ų160144.4 Ų144.475%0.74878%0.776SS**  trans-111.5139.6-159.5-61.2166.2-4.100114.3
324I32.3Very low30.3Very low177 Ų177141.6 Ų141.691%0.90877%0.772SS**  trans-157124.8136.9-81.7123.8000103.4
325G28.6Very low30.5Very low68 Ų68144.4 Ų144.470%0.70178%0.775SS**  cis123.643.327.500000108.9
326Q30.1Very low30.8Very low167 Ų167144.5 Ų144.578%0.7877%0.774SS**  93.792.997.4-176.7177.8-41.500112.4
327L30.1Very low31Very low186 Ų186143.4 Ų143.497%0.97478%0.778SS**  trans-86.1106.4155.6-72.6171.5000108.1
328S28.6Very low31.2Very low83 Ų83147.4 Ų147.458%0.5879%0.785SS**  trans-100.8108.8175.850.70000111.6
329L33.3Very low31.5Very low175 Ų175148.2 Ų148.292%0.91679%0.789SS**  trans-58.5144.1163.3-67.6160000110.1
330I31.1Very low31.6Very low170 Ų170145.3 Ų145.387%0.87277%0.774SS**  trans-118.5150.4162.8-64.9-177.7000108.1
331S26.7Very low31.5Very low96 Ų96144 Ų14467%0.67178%0.78SS**  trans-105137-153177.90000114.4
332K34.6Very low31.2Very low176 Ų176145.2 Ų145.277%0.76578%0.781SS**  trans54.2159.4144.1-77.2-167.6168.3-163.50122.6
333D32.6Very low31.3Very low146 Ų146146.8 Ų146.878%0.78178%0.782SS**  trans71.963.1154.6-55.2-31.1000118.2
334H29.9Very low31.5Very low174 Ų174143.8 Ų143.881%0.80678%0.778SS**  trans-144.9117.1135.1-166.1-64.9000110.3P336H334-P336 VanDerWaalsContact O-CD 3.31Å; H334-P336 WeakPolarHBondContact O-CD 3.3Å
335E41.1Very low31.9Very low177 Ų177144.9 Ų144.983%0.82778%0.777SS**  trans-70.3127.1173.9-77.7-8098.400111
336P31.7Very low32.4Very low101 Ų101147 Ų14766%0.65678%0.78SS**  trans-112.3122.816531.6-15.7000110.1H334 E338H334-P336 VanDerWaalsContact O-CD 3.31Å; H334-P336 WeakPolarHBondContact O-CD 3.3Å; P336-E338 PolarHBondContact O-N 3.17Å; P336-E338 VanDerWaalsContact O-N 3.1Å
337V34Very low33.3Very low138 Ų138150.3 Ų150.384%0.83679%0.786SS**  trans-44.2117.1179.61730000111.7L339V337-L339 PolarHBondContact O-N 2.85Å
338E31.7Very low34.4Very low185 Ų185149.9 Ų149.986%0.86478%0.776SS**  trans-6599.4176-71.7-163136.700110.7P336 N340P336-E338 PolarHBondContact O-N 3.17Å; P336-E338 VanDerWaalsContact O-N 3.1Å; E338-N340 VanDerWaalsContact C-N 3.27Å; E338-N340 PolarHBondContact O-N 3.47Å
339L31.1Very low36.1Very low155 Ų155157.1 Ų157.181%0.81279%0.791SS**  trans-6992.7161.8-75.5178.6000108.8V337 C341V337-L339 PolarHBondContact O-N 2.85Å; L339-C341 PolarHBondContact O-N 3.09Å
340N31.7Very low38.3Very low114 Ų114154.6 Ų154.661%0.6177%0.772SS**  trans-4690.6-178.5178.915.5000113.3E338 N342E338-N340 VanDerWaalsContact C-N 3.27Å; E338-N340 PolarHBondContact O-N 3.47Å; N340-N342 PolarHBondContact ND2-ND2 3.13Å; N340-N342 VanDerWaalsContact ND2-ND2 3.17Å; N340-N342 PolarHBondContact O-N 3.39Å; N340-N342 WeakPolarHBondContact OD1-CB 3.34Å; N340-N342 VanDerWaalsContact OD1-CG 3.29Å
341C27.3Very low40.7Very low119 Ų119150 Ų15080%0.80475%0.748SS**  trans-71.770.8169.9-720000110.3L339 F343L339-C341 PolarHBondContact O-N 3.09Å; C341-F343 PolarHBondContact O-N 3.32Å
342N32.3Very low43.6Very low121 Ų121148.5 Ų148.565%0.64774%0.738SS**  trans-77.760-166.7-143.3-4.2000113.4N340N340-N342 PolarHBondContact ND2-ND2 3.13Å; N340-N342 VanDerWaalsContact ND2-ND2 3.17Å; N340-N342 PolarHBondContact O-N 3.39Å; N340-N342 WeakPolarHBondContact OD1-CB 3.34Å; N340-N342 VanDerWaalsContact OD1-CG 3.29Å
343F28Very low46.1Very low195 Ų195140.3 Ų140.386%0.85570%0.703SS**  trans-122.623.9166.9-136.8-95.1000112.8C341 F345C341-F343 PolarHBondContact O-N 3.32Å; F343-F345 PolarHBondContact O-N 3.44Å; F343-F345 VanDerWaalsContact O-N 3.11Å
344S35.3Very low48.6Very low96 Ų96139.5 Ų139.567%0.67170%0.704SS**SBendtrans-62.3107.6168.4-75.90000111.2S346S344-S346 PolarHBondContact O-N 2.98Å; S344-S346 VanDerWaalsContact O-N 3.17Å
345F39.9Very low50.9Low201 Ų201136.2 Ų136.288%0.88269%0.691SS**  trans3467.8159-71.5-90.5000116F343 R347F343-F345 PolarHBondContact O-N 3.44Å; F343-F345 VanDerWaalsContact O-N 3.11Å; F345-R347 PolarHBondContact O-N 3.28Å
346S38.7Very low53.1Low111 Ų111130.5 Ų130.578%0.77667%0.67SS**  trans-50.2109.3161.3-93.90000109.2S344 K348S344-S346 PolarHBondContact O-N 2.98Å; S344-S346 VanDerWaalsContact O-N 3.17Å; S346-K348 PolarHBondContact O-N 3.24Å
347R49.8Very low55.5Low237 Ų237128 Ų12889%0.89466%0.663SS**  trans-46.899.5-167.6-74.7169.6-86.6-158.4-6.9111F345 R349F345-R347 PolarHBondContact O-N 3.28Å; R347-R349 PolarHBondContact O-N 3.25Å
348K54Low57.8Low177 Ų177127.2 Ų127.277%0.7765%0.65SS**  trans-51.8111.6178.1-94.3-179175.2170.80108S346 K350S346-K348 PolarHBondContact O-N 3.24Å; K348-K350 PolarHBondContact O-N 3.02Å
349R64.1Low60.3Low236 Ų236120.6 Ų120.689%0.89163%0.627SS**  trans-56.3114.3178.5-62.5-176-169.61705.2106.9R347 I351R347-R349 PolarHBondContact O-N 3.25Å; R349-I351 PolarHBondContact O-N 2.89Å
350K78.8Confident63Low121 Ų121115 Ų11553%0.52660%0.596SS.*  trans-60126.5178.7-60.6-177.7-175.11800107.7K348 S352 A359 F360 F361K348-K350 PolarHBondContact O-N 3.02Å; K350-S352 PolarHBondContact O-N 2.86Å; K350-A359 HydrophobicContact CB-CB 3.7Å; K350-A359 HydrophobicContact CD-CB 3.99Å; K350-F360 CarbonylContact C-O 3.55Å; K350-F360 WeakPolarHBondContact CA-O 3.27Å; K350-F361 HydrophobicContact CD-CE1 4.27Å; K350-F361 HydrophobicContact CD-CZ 4.25Å; K350-F361 HydrophobicContact CG-CD1 4.39Å; K350-F361 HydrophobicContact CG-CE1 4.15Å
351I82.1Confident65.3Low73 Ų73116.2 Ų116.237%0.37460%0.596SS.*EExtended strand (participates in β ladder)trans-80.4109.7-176.1-38.4178.6000107.1R349 F360 K363 L366R349-I351 PolarHBondContact O-N 2.89Å; I351-F360 PolarHBondContact N-O 3.21Å; I351-F360 PolarHBondContact O-N 3.25Å; I351-K363 HydrophobicContact CD1-CB 4.13Å; I351-L366 HydrophobicContact CB-CD2 4.02Å; I351-L366 HydrophobicContact CG2-CD2 3.44Å; I351-L366 VanDerWaalsContact CG2-CD2 3.44Å
352S86.3Confident67.9Low66 Ų66118.6 Ų118.646%0.46259%0.588SS.*EExtended strand (participates in β ladder)trans-80.2145.9-178.745.70000112.2K350 H358K350-S352 PolarHBondContact O-N 2.86Å; S352-H358 CarbonylContact C-O 3.52Å; S352-H358 WeakPolarHBondContact CA-O 3.34Å
353C87Confident70.4Confident3 Ų3120 Ų1202%0.0259%0.588CS.*  trans-69.7127.8165.9-174.90000109.8I355 G357 H358 F360 L366C353-I355 PolarHBondContact O-N 2.98Å; C353-I355 PolarHBondContact SG-N 3.46Å; C353-G357 VanDerWaalsContact O-CA 3.27Å; C353-G357 WeakPolarHBondContact O-CA 3.38Å; C353-G357 PolarHBondContact O-N 3.2Å; C353-H358 PolarHBondContact N-O 2.82Å; C353-F360 HydrophobicContact CB-CE2 4.39Å; C353-L366 HydrophobicContact CB-CD1 3.74Å
354T85.1Confident72.9Confident129 Ų129114.3 Ų114.379%0.79157%0.572SS**THydrogen-bonded Turntrans-67.6-13.4177.149.30000113.8
355I79.6Confident75.2Confident106 Ų106112.9 Ų112.954%0.54456%0.555SS.*THydrogen-bonded Turntrans-97.8-34.3-175.7-52.7173.4000111.9C353 H373C353-I355 PolarHBondContact O-N 2.98Å; C353-I355 PolarHBondContact SG-N 3.46Å; I355-H373 HydrophobicContact CD1-CB 3.63Å; I355-H373 WeakPolarHBondContact CG2-ND1 3.44Å
356C87.2Confident77.6Confident57 Ų57104.2 Ų104.239%0.38552%0.518SS..THydrogen-bonded Turntrans-140.712.7-178.9700000115.8H358 H369 H373C356-H358 PolarHBondContact O-N 3.32Å; C356-H369 PolarHBondContact SG-NE2 3.13Å; C356-H373 VanDerWaalsContact SG-CE1 3.51Å; C356-H373 PolarHBondContact SG-NE2 3.48Å; C356-H373 VanDerWaalsContact SG-NE2 3.4Å
357G81.9Confident79.8Confident49 Ų49102.8 Ų102.851%0.50550%0.501SS..  trans73.4-14173.600000116.8C353 A359C353-G357 VanDerWaalsContact O-CA 3.27Å; C353-G357 WeakPolarHBondContact O-CA 3.38Å; C353-G357 PolarHBondContact O-N 3.2Å; G357-A359 PolarHBondContact O-N 3.26Å
358H81.8Confident81.5Confident121 Ų12198.1 Ų98.156%0.5649%0.49SS*.  trans-52.1131179.9-91.2-95.1000112.1S352 C353 C356 F360S352-H358 CarbonylContact C-O 3.52Å; S352-H358 WeakPolarHBondContact CA-O 3.34Å; C353-H358 PolarHBondContact N-O 2.82Å; C356-H358 PolarHBondContact O-N 3.32Å; H358-F360 HydrophobicContact CB-CE2 3.83Å; H358-F360 HydrophobicContact CB-CZ 3.9Å; H358-F360 VanDerWaalsContact O-CD2 3.31Å; H358-F360 WeakPolarHBondContact O-CD2 3.15Å; H358-F360 WeakPolarHBondContact O-CE2 3.48Å
359A85.3Confident83Confident46 Ų4691.3 Ų91.338%0.3846%0.46SS..EExtended strand (participates in β ladder)trans-113.9116.5-162.100000112.7K350 G357K350-A359 HydrophobicContact CB-CB 3.7Å; K350-A359 HydrophobicContact CD-CB 3.99Å; G357-A359 PolarHBondContact O-N 3.26Å
360F87.7Confident83.9Confident37 Ų3783.2 Ų83.216%0.16243%0.434CS..EExtended strand (participates in β ladder)trans-106.6153.2-168.7-61.2-82.2000113.4K350 I351 C353 H358 Q365 L366 H369K350-F360 CarbonylContact C-O 3.55Å; K350-F360 WeakPolarHBondContact CA-O 3.27Å; I351-F360 PolarHBondContact N-O 3.21Å; I351-F360 PolarHBondContact O-N 3.25Å; C353-F360 HydrophobicContact CB-CE2 4.39Å; H358-F360 HydrophobicContact CB-CE2 3.83Å; H358-F360 HydrophobicContact CB-CZ 3.9Å; H358-F360 VanDerWaalsContact O-CD2 3.31Å; H358-F360 WeakPolarHBondContact O-CD2 3.15Å; H358-F360 WeakPolarHBondContact O-CE2 3.48Å; F360-Q365 HydrophobicContact CB-CB 4.1Å; F360-Q365 HydrophobicContact CD1-CB 3.73Å; F360-Q365 HydrophobicContact CG-CB 4.19Å; F360-L366 HydrophobicContact CB-CB 4.19Å; F360-L366 HydrophobicContact CD2-CB 3.86Å; F360-L366 HydrophobicContact CD2-CD1 3.79Å; F360-L366 HydrophobicContact CD2-CG 4.39Å; F360-L366 HydrophobicContact CE2-CD1 3.99Å; F360-L366 HydrophobicContact CG-CB 4.16Å; F360-H369 HydrophobicContact CE1-CB 4.03Å; F360-H369 HydrophobicContact CE2-CB 3.88Å; F360-H369 AromaticContact CE2-CD2 3.48Å; F360-H369 VanDerWaalsContact CE2-CD2 3.48Å; F360-H369 WeakPolarHBondContact CE2-CD2 3.31Å; F360-H369 AromaticContact CE2-CG 3.64Å; F360-H369 HydrophobicContact CZ-CB 3.46Å; F360-H369 VanDerWaalsContact CZ-CB 3.46Å; F360-H369 AromaticContact CZ-CD2 3.61Å; F360-H369 AromaticContact CZ-CG 3.28Å; F360-H369 AromaticContact CZ-ND1 3.63Å
361F79.8Confident84.1Confident139 Ų13985.3 Ų85.361%0.6144%0.439SS*.SBendtrans-92.4-13.6-179.4-64.8-83.8000113.5K350K350-F361 HydrophobicContact CD-CE1 4.27Å; K350-F361 HydrophobicContact CD-CZ 4.25Å; K350-F361 HydrophobicContact CG-CD1 4.39Å; K350-F361 HydrophobicContact CG-CE1 4.15Å
362R82.5Confident84Confident169 Ų16986.8 Ų86.864%0.63845%0.452SS*.SBendtrans-136.6143.8177.4-59.3-178.1-179.2176.40.1110.7S364 Q365 L366R362-S364 PolarHBondContact O-N 2.84Å; R362-Q365 HydrophobicContact CB-CG 4.16Å; R362-Q365 VanDerWaalsContact N-OE1 3.16Å; R362-Q365 PolarHBondContact O-N 3.34Å; R362-Q365 VanDerWaalsContact O-N 3.13Å; R362-L366 PolarHBondContact O-N 3.47Å
363K83Confident83.5Confident152 Ų15286.8 Ų86.866%0.66144%0.444SS*.Hα-helixtrans-59.2-31.8176.9-173.3175.1178.5178.80112.7I351 L366 L367I351-K363 HydrophobicContact CD1-CB 4.13Å; K363-L366 PolarHBondContact O-N 2.82Å; K363-L367 HydrophobicContact CG-CD1 4.23Å; K363-L367 WeakPolarHBondContact O-CG 3.3Å; K363-L367 PolarHBondContact O-N 2.8Å
364S81.8Confident82.6Confident74 Ų7494.2 Ų94.252%0.51748%0.476SS..Hα-helixtrans-62.9-43.8174.250.10000113.1R362 L366 L367 E368R362-S364 PolarHBondContact O-N 2.84Å; S364-L366 VanDerWaalsContact C-N 3.34Å; S364-L366 PolarHBondContact O-N 3.45Å; S364-L367 PolarHBondContact O-N 3.33Å; S364-E368 WeakPolarHBondContact O-CB 3.48Å; S364-E368 PolarHBondContact O-N 2.99Å
365Q83.8Confident81.5Confident67 Ų6791.2 Ų91.231%0.31347%0.471SS..Hα-helixtrans-65-38.1178.3-64.7169.2-29.100111.8F360 R362 H369F360-Q365 HydrophobicContact CB-CB 4.1Å; F360-Q365 HydrophobicContact CD1-CB 3.73Å; F360-Q365 HydrophobicContact CG-CB 4.19Å; R362-Q365 HydrophobicContact CB-CG 4.16Å; R362-Q365 VanDerWaalsContact N-OE1 3.16Å; R362-Q365 PolarHBondContact O-N 3.34Å; R362-Q365 VanDerWaalsContact O-N 3.13Å; Q365-H369 VanDerWaalsContact O-CB 3.29Å; Q365-H369 WeakPolarHBondContact O-CB 3.29Å; Q365-H369 PolarHBondContact O-N 3.46Å
366L88.8Confident79.7Confident18 Ų1895.7 Ų95.79%0.09449%0.486CS..Hα-helixtrans-66.5-42.2172.5173.758.9000111.6I351 C353 F360 R362 K363 S364 H369 M370I351-L366 HydrophobicContact CB-CD2 4.02Å; I351-L366 HydrophobicContact CG2-CD2 3.44Å; I351-L366 VanDerWaalsContact CG2-CD2 3.44Å; C353-L366 HydrophobicContact CB-CD1 3.74Å; F360-L366 HydrophobicContact CB-CB 4.19Å; F360-L366 HydrophobicContact CD2-CB 3.86Å; F360-L366 HydrophobicContact CD2-CD1 3.79Å; F360-L366 HydrophobicContact CD2-CG 4.39Å; F360-L366 HydrophobicContact CE2-CD1 3.99Å; F360-L366 HydrophobicContact CG-CB 4.16Å; R362-L366 PolarHBondContact O-N 3.47Å; K363-L366 PolarHBondContact O-N 2.82Å; S364-L366 VanDerWaalsContact C-N 3.34Å; S364-L366 PolarHBondContact O-N 3.45Å; L366-H369 CarbonylContact O-C 3.59Å; L366-H369 PolarHBondContact O-N 3.08Å; L366-M370 HydrophobicContact CD1-CG 3.97Å; L366-M370 HydrophobicContact CD1-SD 4.22Å; L366-M370 HydrophobicContact CG-CG 4.37Å; L366-M370 HydrophobicContact CG-SD 4.17Å; L366-M370 WeakPolarHBondContact O-CB 3.44Å; L366-M370 VanDerWaalsContact O-CG 3.3Å; L366-M370 WeakPolarHBondContact O-CG 3.01Å; L366-M370 PolarHBondContact O-N 3.43Å
367L86.3Confident77.3Confident82 Ų82101.3 Ų101.343%0.42951%0.507SS..Hα-helixtrans-61.8-47.2176.8-77.4164.7000111.6K363 S364 H369 M370 Y371K363-L367 HydrophobicContact CG-CD1 4.23Å; K363-L367 WeakPolarHBondContact O-CG 3.3Å; K363-L367 PolarHBondContact O-N 2.8Å; S364-L367 PolarHBondContact O-N 3.33Å; L367-H369 VanDerWaalsContact C-N 3.33Å; L367-H369 PolarHBondContact O-N 3.47Å; L367-M370 PolarHBondContact O-N 2.87Å; L367-M370 VanDerWaalsContact O-N 3.08Å; L367-Y371 WeakPolarHBondContact O-CD2 3.39Å; L367-Y371 WeakPolarHBondContact O-CE2 3.38Å; L367-Y371 PolarHBondContact O-N 2.99Å
368E84.9Confident75.1Confident139 Ų139109.1 Ų109.165%0.6552%0.523SS*.Hα-helixtrans-53.2-49.3173.1-174.8176.3-17100111.4S364 M370 Y371S364-E368 WeakPolarHBondContact O-CB 3.48Å; S364-E368 PolarHBondContact O-N 2.99Å; E368-M370 PolarHBondContact O-N 2.99Å; E368-Y371 WeakPolarHBondContact O-CB 3.48Å; E368-Y371 PolarHBondContact O-N 3.2Å; E368-Y371 VanDerWaalsContact O-N 3.16Å
369H86.5Confident73Confident34 Ų34111.7 Ų111.716%0.15753%0.532CS..Hα-helixtrans-64.1-34.9174.9174.979.2000113.6C356 F360 Q365 L366 L367 Y371 T372 H373C356-H369 PolarHBondContact SG-NE2 3.13Å; F360-H369 HydrophobicContact CE1-CB 4.03Å; F360-H369 HydrophobicContact CE2-CB 3.88Å; F360-H369 AromaticContact CE2-CD2 3.48Å; F360-H369 VanDerWaalsContact CE2-CD2 3.48Å; F360-H369 WeakPolarHBondContact CE2-CD2 3.31Å; F360-H369 AromaticContact CE2-CG 3.64Å; F360-H369 HydrophobicContact CZ-CB 3.46Å; F360-H369 VanDerWaalsContact CZ-CB 3.46Å; F360-H369 AromaticContact CZ-CD2 3.61Å; F360-H369 AromaticContact CZ-CG 3.28Å; F360-H369 AromaticContact CZ-ND1 3.63Å; Q365-H369 VanDerWaalsContact O-CB 3.29Å; Q365-H369 WeakPolarHBondContact O-CB 3.29Å; Q365-H369 PolarHBondContact O-N 3.46Å; L366-H369 CarbonylContact O-C 3.59Å; L366-H369 PolarHBondContact O-N 3.08Å; L367-H369 VanDerWaalsContact C-N 3.33Å; L367-H369 PolarHBondContact O-N 3.47Å; H369-Y371 PolarHBondContact O-N 3.16Å; H369-T372 PolarHBondContact O-N 3.25Å; H369-T372 VanDerWaalsContact O-N 3.08Å; H369-T372 PolarHBondContact O-OG1 3.45Å; H369-H373 AromaticContact CD2-CD2 3.95Å; H369-H373 AromaticContact CD2-NE2 3.7Å; H369-H373 AromaticContact CE1-NE2 3.5Å; H369-H373 AromaticContact NE2-CD2 3.71Å; H369-H373 AromaticContact NE2-NE2 2.99Å; H369-H373 PolarHBondContact NE2-NE2 2.92Å; H369-H373 PolarHBondContact O-CD2 3.39Å
370M81.9Confident70.4Confident66 Ų66119.1 Ų119.133%0.32555%0.552SS.*Hα-helixtrans-66.1-18.5175.2-75.4-178.376.800113.2L366 L367 E368 K374L366-M370 HydrophobicContact CD1-CG 3.97Å; L366-M370 HydrophobicContact CD1-SD 4.22Å; L366-M370 HydrophobicContact CG-CG 4.37Å; L366-M370 HydrophobicContact CG-SD 4.17Å; L366-M370 WeakPolarHBondContact O-CB 3.44Å; L366-M370 VanDerWaalsContact O-CG 3.3Å; L366-M370 WeakPolarHBondContact O-CG 3.01Å; L366-M370 PolarHBondContact O-N 3.43Å; L367-M370 PolarHBondContact O-N 2.87Å; L367-M370 VanDerWaalsContact O-N 3.08Å; E368-M370 PolarHBondContact O-N 2.99Å; M370-K374 PolarHBondContact O-N 3.4Å
371Y83.1Confident67.9Low164 Ų164122.7 Ų122.764%0.64358%0.581SS**Hα-helixtrans-75.1-26.4170.5-67.5-72000113.3L367 E368 H369 H373 K374L367-Y371 WeakPolarHBondContact O-CD2 3.39Å; L367-Y371 WeakPolarHBondContact O-CE2 3.38Å; L367-Y371 PolarHBondContact O-N 2.99Å; E368-Y371 WeakPolarHBondContact O-CB 3.48Å; E368-Y371 PolarHBondContact O-N 3.2Å; E368-Y371 VanDerWaalsContact O-N 3.16Å; H369-Y371 PolarHBondContact O-N 3.16Å; Y371-H373 VanDerWaalsContact C-N 3.31Å; Y371-H373 PolarHBondContact O-N 3.08Å; Y371-K374 PolarHBondContact O-N 3.08Å; Y371-K374 VanDerWaalsContact O-N 3.08Å
372T79.6Confident65.9Low104 Ų104126.4 Ų126.464%0.63859%0.591SS**Hα-helixtrans-68.3-34.3175.473.40000111.4H369 K374H369-T372 PolarHBondContact O-N 3.25Å; H369-T372 VanDerWaalsContact O-N 3.08Å; H369-T372 PolarHBondContact O-OG1 3.45Å; T372-K374 VanDerWaalsContact C-N 3.29Å; T372-K374 PolarHBondContact O-N 3.24Å
373H76.7Confident63.4Low66 Ų66123.7 Ų123.731%0.30660%0.597SS.*Hα-helixtrans-68.8-22.4170.4-65.3-75.9000113.8I355 C356 H369 Y371 G375I355-H373 HydrophobicContact CD1-CB 3.63Å; I355-H373 WeakPolarHBondContact CG2-ND1 3.44Å; C356-H373 VanDerWaalsContact SG-CE1 3.51Å; C356-H373 PolarHBondContact SG-NE2 3.48Å; C356-H373 VanDerWaalsContact SG-NE2 3.4Å; H369-H373 AromaticContact CD2-CD2 3.95Å; H369-H373 AromaticContact CD2-NE2 3.7Å; H369-H373 AromaticContact CE1-NE2 3.5Å; H369-H373 AromaticContact NE2-CD2 3.71Å; H369-H373 AromaticContact NE2-NE2 2.99Å; H369-H373 PolarHBondContact NE2-NE2 2.92Å; H369-H373 PolarHBondContact O-CD2 3.39Å; Y371-H373 VanDerWaalsContact C-N 3.31Å; Y371-H373 PolarHBondContact O-N 3.08Å; H373-G375 VanDerWaalsContact C-N 3.32Å; H373-G375 PolarHBondContact O-N 3.44Å
374K68.6Low61.1Low159 Ų159123.3 Ų123.369%0.69160%0.598SS**THydrogen-bonded Turntrans-86.910.4-178.1-80.9-165.4171.1-170.70115.2M370 Y371 T372 K376M370-K374 PolarHBondContact O-N 3.4Å; Y371-K374 PolarHBondContact O-N 3.08Å; Y371-K374 VanDerWaalsContact O-N 3.08Å; T372-K374 VanDerWaalsContact C-N 3.29Å; T372-K374 PolarHBondContact O-N 3.24Å; K374-K376 VanDerWaalsContact C-N 3.34Å; K374-K376 PolarHBondContact O-N 3.04Å
375G61.2Low58.7Low66 Ų66127.1 Ų127.168%0.6861%0.607SS**  trans61.526.8147.500000117.9H373H373-G375 VanDerWaalsContact C-N 3.32Å; H373-G375 PolarHBondContact O-N 3.44Å
376K41.7Very low56.2Low200 Ų200130.5 Ų130.587%0.8763%0.627SS**  trans-105.2110.7167.4-75.2-165.2173.6-172.90110.6K374 Y378K374-K376 VanDerWaalsContact C-N 3.34Å; K374-K376 PolarHBondContact O-N 3.04Å; K376-Y378 PolarHBondContact O-N 3.09Å; K376-Y378 VanDerWaalsContact O-N 3.09Å
377Q37.4Very low53.3Low175 Ų175138.2 Ų138.282%0.81866%0.662SS**  trans-66.598.5-178.8-72.3-781.700111.6
378Y35Very low50.6Low214 Ų214139.6 Ų139.684%0.83968%0.679SS**  trans-97.3100.8160.5-156.5-93.3000109K376 Y380K376-Y378 PolarHBondContact O-N 3.09Å; K376-Y378 VanDerWaalsContact O-N 3.09Å; Y378-Y380 PolarHBondContact O-N 3.1Å; Y378-Y380 VanDerWaalsContact O-N 3.1Å
379K36.8Very low48.6Very low174 Ų174138.7 Ų138.776%0.75769%0.685SS**  trans-71.8103-176.7-69-177.4179.51790110.7
380Y31.6Very low45.8Very low203 Ų203143.1 Ų143.180%0.79672%0.715SS**  trans-101.997.8158.7-154.7-88.9000109.9Y378 R382Y378-Y380 PolarHBondContact O-N 3.1Å; Y378-Y380 VanDerWaalsContact O-N 3.1Å; Y380-R382 PolarHBondContact O-N 3.09Å; Y380-R382 VanDerWaalsContact O-N 3.09Å
381S34.2Very low43.5Very low111 Ų111145.9 Ų145.978%0.77674%0.735SS**  trans-74.895.3-173.7-60.40000112.5
382R38.2Very low41.3Very low218 Ų218143.4 Ų143.482%0.82374%0.739SS**  trans-152.891.4161.5-176164.9-86-176.2-7113.7Y380Y380-R382 PolarHBondContact O-N 3.09Å; Y380-R382 VanDerWaalsContact O-N 3.09Å
383C30.5Very low38.9Very low111 Ų111149.2 Ų149.275%0.7575%0.749SS**  trans-167145.3158.2-94.40000107.3
384Q34.4Very low36.4Very low145 Ų145154.5 Ų154.568%0.67877%0.772SS**  cis-165.4157.4-6.8-134.4-17970.100110.4
385Q32.2Very low34.5Very low153 Ų153157.4 Ų157.472%0.71578%0.778SS**  trans64.2163.8163.7-58.2178.438.200115.4
386L31.1Very low33.4Very low139 Ų139159.4 Ų159.473%0.72878%0.779SS**  cis-137.4150.4-0.2-154.173.7000104.7
387E27.1Very low32.5Very low180 Ų180159.8 Ų159.884%0.84178%0.777SS**  cis-160.6-177.848.1-74.717914700111.1
388S29.4Very low32Very low110 Ų110155.4 Ų155.477%0.76976%0.764SS**  trans-147.7140.1167.862.90000109
389P43.3Very low31.6Very low120 Ų120151.6 Ų151.678%0.77976%0.758SS**  -132.6-174.865.338.1-20.9000112.2
390T28.9Very low31.1Very low128 Ų128147.3 Ų147.379%0.78575%0.751SS**  cis-155.2153.921.8-33.90000111
391T32.4Very low30.8Very low124 Ų124146.7 Ų146.776%0.76176%0.755SS**  trans-73.8160162.948.80000111.5
392P37.9Very low30.5Very low111 Ų111146.3 Ų146.372%0.72175%0.752SS**  cis-150.8170.633.843.5-22.9000120.5
393R29Very low30Very low227 Ų227144.3 Ų144.386%0.85775%0.754SS**  trans56.8109.9142.8-78.9-179.9172.7164-1.4123.3
394F24.1Very low30Very low176 Ų176142.3 Ų142.377%0.77275%0.753SS**  60.1112.6117.9-89.1-102000122.8
395R27.7Very low29.8Very low221 Ų221144.8 Ų144.883%0.83476%0.761SS**  trans65.7168.4135.5-84.7-169.2-179.7-172.2-0.9119.4
396P39.5Very low29.6Very low108 Ų108142.4 Ų142.470%0.70176%0.762SS**  cis-138.8170.9-30.938-21.1000116
397Y23Very low29.5Very low208 Ų208141.6 Ų141.682%0.81677%0.767SS**  trans66.7175.8148.6-154-105.1000120
398C25.9Very low29.5Very low82 Ų82136.2 Ų136.255%0.55476%0.76SS**  trans-70.4177.2-167.5-48.70000114.2
399D26.8Very low29.6Very low134 Ų134139.2 Ų139.272%0.71777%0.767SS**  cis-164.1173.931.5-135.7-38.7000116
400S26.9Very low29Very low85 Ų85138.6 Ų138.659%0.59477%0.765SS**  trans49122.4150.565.60000123.9
401E25.1Very low29.1Very low190 Ų190139.6 Ų139.689%0.88876%0.761SS**  trans64.4149.4138.9-55.9-171.510100120.1
402S27.8Very low29Very low102 Ų102141.6 Ų141.671%0.71376%0.762SS**  cis-164.4164.43562.50000116.2
403M26.9Very low28.6Very low177 Ų177144.1 Ų144.187%0.87276%0.763SS**  trans61.3129.2144.7-79.4-178.85200125.3
404G29.9Very low28.8Very low69 Ų69139.2 Ų139.271%0.71175%0.754SS**  trans134.792.4159.400000112.7
405K30.1Very low29.1Very low196 Ų196137.3 Ų137.385%0.85275%0.751SS**  48.2126.462.6-62.2-174.8179.1179.10113.3
406S28.4Very low29.2Very low104 Ų104131.7 Ų131.773%0.72775%0.746SS**  cis-175142.5-5.948.40000108.7
407S28.8Very low28.7Very low121 Ų121132.2 Ų132.285%0.84675%0.751SS**  151.7157.296.6-77.10000111.7
408G28.8Very low29.1Very low67 Ų67130 Ų13069%0.69175%0.75SS**  trans99.512217000000114.1
409L30.9Very low29.6Very low173 Ų173133.2 Ų133.291%0.90676%0.761SS**  63.9122.754.9-58.8179.4000111.7
410S30.5Very low29.7Very low108 Ų108135.8 Ų135.876%0.75577%0.769SS**  cis-159.6168.310.9-84.50000106.4
411Q30.5Very low30.2Very low148 Ų148137.3 Ų137.369%0.69278%0.779SS**  cis165153.37.7158.479.115.500105
412E30.9Very low30.5Very low166 Ų166135.4 Ų135.478%0.77678%0.775SS**  trans52.3145.8169.563.6-144.734.800120
413H29.7Very low31.1Very low164 Ų164137.4 Ų137.476%0.75978%0.777SS**  cis-154.5166.138.1179.3-85000114.2
414L33.3Very low31.5Very low125 Ų125137.4 Ų137.465%0.65478%0.779SS**  trans-52.5166176-50.4164.2000115.5
415D30.4Very low31.6Very low135 Ų135140.9 Ų140.972%0.72278%0.777SS**  cis-163.2175.310.2-138.4-36.4000115.3
416S29.2Very low32Very low104 Ų104139 Ų13973%0.72777%0.771SS**  trans74.3127.1147.4-79.60000123.6
417C30Very low32.2Very low118 Ų118140 Ų14080%0.79778%0.778SS**  trans-114.4143.3154.4-61.50000109.5
418M30.1Very low32.6Very low163 Ų163139.7 Ų139.780%0.80377%0.771SS**  trans-158.9128.2145.6-83-43.6148.800107.2
419L35.8Very low33Very low148 Ų148143.2 Ų143.278%0.77577%0.774SS**  54.1107.284.4-61.7-170.1000114
420E29.5Very low33.4Very low189 Ų189141.4 Ų141.488%0.88377%0.77SS**  -174.1157.4104.6-98.6178.2168.900110.7
421S37.3Very low33.7Very low117 Ų117143 Ų14382%0.81877%0.768SS**  trans-164.698.8172.9-75.60000110.2
422D32.8Very low34.1Very low150 Ų150143.7 Ų143.780%0.80278%0.776SS**  trans-145.6134.8170.3-105.3-42.4000112.9
423L38.9Very low34.4Very low143 Ų143141.9 Ų141.975%0.74978%0.776SS**  trans30.8116.5143.8-58.1168000121.1
424I35.5Very low35.2Very low177 Ų177146.4 Ų146.491%0.90880%0.798SS**  -136.1148.1128.4-66.7-168.5000108.7
425Q32.8Very low35.3Very low143 Ų143147.5 Ų147.567%0.66881%0.805SS**  trans-125.6151.1-172.4172.1174.9-47.200111.6
426E37.7Very low35.5Very low156 Ų156148.2 Ų148.273%0.72981%0.809SS**  trans56.3131.4161.2-75.5164.1155.400121.9
427S32.2Very low35.9Very low125 Ų125150.6 Ų150.687%0.87481%0.814SS**  trans-152.5163.9136.350.70000109.5
428V37.5Very low36.2Very low115 Ų115152.5 Ų152.570%0.69782%0.815SS**  trans-136.8159.8-155.2171.80000111.9
429D37.4Very low36.6Very low141 Ų141151.9 Ų151.975%0.75482%0.815SS**  trans68.2142.8176.1-69.1-34.9000116.1
430T39.5Very low36.7Very low134 Ų134152.1 Ų152.182%0.82282%0.818SS**  -152.8150.852.3-57.20000113
431I36.7Very low37.2Very low141 Ų141149.5 Ų149.572%0.72381%0.813SS**  trans-87.2140.8173.6-61.1171.4000110.5V433I431-V433 HydrophobicContact CG2-CG2 4.15Å
432L39.5Very low37.2Very low164 Ų164152 Ų15286%0.85981%0.813SS**  trans-132.9134165-118.3166.5000110.1
433V37.4Very low37.5Very low128 Ų128152.2 Ų152.278%0.77681%0.814SS**  trans-135.9133.9176.8174.20000107.3I431I431-V433 HydrophobicContact CG2-CG2 4.15Å
434E45.3Very low37.4Very low259 Ų259153 Ų153100%1.2182%0.82SS**  trans-145.40163.8-160.7169.2-161.200108.3

Retrieved 434 of 434 residues in 56 ms (Link to these results)