A0A087YD58_POEFO Loading...

Calcium channel, voltage-dependent, alpha 2/delta subunit 2a

AlphaFold DB , UniProt , Accession A0A087YD58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 923 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1V80.6Confident91.1Very high132 Ų13288.6 Ų88.680%0.848%0.476SS*.  0-66.30-174.80000110.7L3 N4 E5 T35V1-L3 PolarHBondContact O-N 3.44Å; V1-N4 WeakPolarHBondContact O-CB 3.5Å; V1-N4 PolarHBondContact O-N 3.15Å; V1-E5 PolarHBondContact O-N 2.94Å; V1-T35 HydrophobicContact CG1-CG2 3.73Å
2I88.6Confident91.4Very high103 Ų10383.9 Ų83.953%0.52845%0.45SS..Hα-helixtrans-53.8-44.5-177-63.9171.9000114N4 E5 L6 V37I2-N4 PolarHBondContact O-N 3.07Å; I2-E5 WeakPolarHBondContact O-CB 3.43Å; I2-E5 PolarHBondContact O-N 3.41Å; I2-E5 VanDerWaalsContact O-N 3.11Å; I2-L6 HydrophobicContact CG2-CD1 4.22Å; I2-L6 HydrophobicContact CG2-CG 4.43Å; I2-L6 PolarHBondContact O-N 2.97Å; I2-V37 HydrophobicContact CB-CG2 4.46Å; I2-V37 HydrophobicContact CG1-CG2 4.26Å; I2-V37 HydrophobicContact CG2-CG2 3.88Å
3L91Very high91.5Very high141 Ų14184.5 Ų84.574%0.73845%0.448SS*.Hα-helixtrans-59.5-34.7178.8-74.5169.7000113.2V1 N7V1-L3 PolarHBondContact O-N 3.44Å; L3-N7 PolarHBondContact O-N 3.34Å
4N90Very high91.8Very high113 Ų11392.1 Ų92.160%0.60447%0.468SS*.Hα-helixtrans-69.6-41.3177.4-66.8-10.2000110.4V1 I2 L6 N7 W8V1-N4 WeakPolarHBondContact O-CB 3.5Å; V1-N4 PolarHBondContact O-N 3.15Å; I2-N4 PolarHBondContact O-N 3.07Å; N4-L6 PolarHBondContact O-N 3.11Å; N4-N7 WeakPolarHBondContact O-CB 3.12Å; N4-N7 PolarHBondContact O-N 3.17Å; N4-W8 PolarHBondContact O-N 2.71Å; N4-W8 VanDerWaalsContact O-N 3.1Å
5E90.4Very high92Very high23 Ų2390.3 Ų90.311%0.10746%0.463CS..Hα-helixtrans-57.2-49175-68.7-68124.100111.3V1 I2 N7 W8 T9 S33 T35 V37V1-E5 PolarHBondContact O-N 2.94Å; I2-E5 WeakPolarHBondContact O-CB 3.43Å; I2-E5 PolarHBondContact O-N 3.41Å; I2-E5 VanDerWaalsContact O-N 3.11Å; E5-N7 PolarHBondContact O-N 2.81Å; E5-W8 PolarHBondContact OE1-NE1 3.36Å; E5-W8 WeakPolarHBondContact OE2-CZ2 3.3Å; E5-W8 PolarHBondContact OE2-NE1 3.48Å; E5-T9 VanDerWaalsContact O-CB 3.24Å; E5-T9 WeakPolarHBondContact O-CB 2.77Å; E5-T9 WeakPolarHBondContact O-CG2 3.19Å; E5-T9 PolarHBondContact O-N 3.23Å; E5-T9 PolarHBondContact O-OG1 2.99Å; E5-S33 WeakPolarHBondContact OE2-CB 3.45Å; E5-S33 PolarHBondContact OE2-OG 3.41Å; E5-T35 HydrophobicContact CG-CG2 3.68Å; E5-T35 WeakPolarHBondContact CG-OG1 3.43Å; E5-V37 HydrophobicContact CB-CG2 4.42Å
6L93Very high92.2Very high74 Ų7485.2 Ų85.239%0.38744%0.436SS..Hα-helixtrans-60.1-34.8178.5-67.1175.6000113.1I2 N4 T9 Q10 V37 R39I2-L6 HydrophobicContact CG2-CD1 4.22Å; I2-L6 HydrophobicContact CG2-CG 4.43Å; I2-L6 PolarHBondContact O-N 2.97Å; N4-L6 PolarHBondContact O-N 3.11Å; L6-T9 PolarHBondContact O-OG1 2.94Å; L6-Q10 PolarHBondContact O-N 3.24Å; L6-V37 HydrophobicContact CD2-CG1 3.87Å; L6-R39 PolarHBondContact O-NH1 3.22Å; L6-R39 VanDerWaalsContact O-NH1 3.14Å
7N94.7Very high92.3Very high115 Ų11582.8 Ų82.862%0.61542%0.424SS*.Hα-helixtrans-70.8-53.6-179.1-170.517.5000111.9L3 N4 E5 Q10L3-N7 PolarHBondContact O-N 3.34Å; N4-N7 WeakPolarHBondContact O-CB 3.12Å; N4-N7 PolarHBondContact O-N 3.17Å; E5-N7 PolarHBondContact O-N 2.81Å; N7-Q10 VanDerWaalsContact O-CB 3.3Å; N7-Q10 WeakPolarHBondContact O-CB 3.34Å; N7-Q10 PolarHBondContact O-N 2.82Å
8W91.3Very high92.5Very high93 Ų9384.7 Ų84.735%0.35243%0.431SS..Hα-helixtrans-73.5-35.1-176.875.9-105.5000112.4N4 E5 Q10 A11 F31 L310N4-W8 PolarHBondContact O-N 2.71Å; N4-W8 VanDerWaalsContact O-N 3.1Å; E5-W8 PolarHBondContact OE1-NE1 3.36Å; E5-W8 WeakPolarHBondContact OE2-CZ2 3.3Å; E5-W8 PolarHBondContact OE2-NE1 3.48Å; W8-Q10 PolarHBondContact O-N 2.64Å; W8-A11 PolarHBondContact O-N 3.36Å; W8-F31 HydrophobicContact CH2-CD1 4.48Å; W8-F31 AromaticContact CH2-CE1 3.51Å; W8-F31 HydrophobicContact CH2-CE1 3.51Å; W8-F31 HydrophobicContact CH2-CE2 4.33Å; W8-F31 AromaticContact CH2-CZ 3.42Å; W8-F31 HydrophobicContact CH2-CZ 3.42Å; W8-F31 VanDerWaalsContact CH2-CZ 3.42Å; W8-F31 AromaticContact CZ2-CE1 3.84Å; W8-F31 HydrophobicContact CZ2-CE1 3.84Å; W8-F31 AromaticContact CZ2-CZ 3.92Å; W8-F31 HydrophobicContact CZ2-CZ 3.92Å; W8-F31 HydrophobicContact CZ3-CE1 4.43Å; W8-F31 HydrophobicContact CZ3-CZ 4.49Å; W8-L310 HydrophobicContact CH2-CB 4.44Å; W8-L310 HydrophobicContact CH2-CD1 4.31Å
9T93.8Very high92.7Very high1 Ų183.3 Ų83.31%0.00642%0.424CS..Hα-helixtrans-69.7-13.7177.5580000113.4E5 L6 A11 L12 F31 R39E5-T9 VanDerWaalsContact O-CB 3.24Å; E5-T9 WeakPolarHBondContact O-CB 2.77Å; E5-T9 WeakPolarHBondContact O-CG2 3.19Å; E5-T9 PolarHBondContact O-N 3.23Å; E5-T9 PolarHBondContact O-OG1 2.99Å; L6-T9 PolarHBondContact O-OG1 2.94Å; T9-A11 PolarHBondContact O-N 3.46Å; T9-L12 HydrophobicContact CG2-CD1 4.49Å; T9-L12 WeakPolarHBondContact O-CB 3.47Å; T9-L12 PolarHBondContact O-N 2.59Å; T9-L12 VanDerWaalsContact O-N 3.12Å; T9-F31 HydrophobicContact CG2-CD1 3.74Å; T9-F31 HydrophobicContact CG2-CE1 3.53Å; T9-R39 VanDerWaalsContact OG1-CD 3.26Å; T9-R39 WeakPolarHBondContact OG1-CD 3.15Å; T9-R39 PolarHBondContact OG1-NH1 3.08Å
10Q93.8Very high92.7Very high109 Ų10984 Ų8451%0.50942%0.422SS..THydrogen-bonded Turntrans-59-31.3174.3-173.6178.9-500111.9L6 N7 W8 L12 E13L6-Q10 PolarHBondContact O-N 3.24Å; N7-Q10 VanDerWaalsContact O-CB 3.3Å; N7-Q10 WeakPolarHBondContact O-CB 3.34Å; N7-Q10 PolarHBondContact O-N 2.82Å; W8-Q10 PolarHBondContact O-N 2.64Å; Q10-L12 PolarHBondContact O-N 2.97Å; Q10-E13 WeakPolarHBondContact O-CB 3.48Å; Q10-E13 PolarHBondContact O-N 3.48Å
11A94.4Very high92.7Very high71 Ų7189.7 Ų89.759%0.58744%0.438SS*.THydrogen-bonded Turntrans-61.8-24.9178.200000113.4W8 T9 E13W8-A11 PolarHBondContact O-N 3.36Å; T9-A11 PolarHBondContact O-N 3.46Å; A11-E13 PolarHBondContact O-N 3.42Å
12L95.2Very high93.5Very high32 Ų3291.7 Ų91.717%0.16844%0.439CS..Hα-helixtrans-66-25179.2-63.4174.8000112.9T9 Q10 R14 V15 F16 F31 M313T9-L12 HydrophobicContact CG2-CD1 4.49Å; T9-L12 WeakPolarHBondContact O-CB 3.47Å; T9-L12 PolarHBondContact O-N 2.59Å; T9-L12 VanDerWaalsContact O-N 3.12Å; Q10-L12 PolarHBondContact O-N 2.97Å; L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.32Å; L12-V15 PolarHBondContact O-N 2.83Å; L12-V15 VanDerWaalsContact O-N 3.14Å; L12-F16 HydrophobicContact CB-CD2 4.3Å; L12-F16 HydrophobicContact CB-CE2 3.86Å; L12-F16 HydrophobicContact CB-CZ 4.04Å; L12-F16 HydrophobicContact CD1-CZ 4.39Å; L12-F16 WeakPolarHBondContact O-CD2 3.37Å; L12-F16 WeakPolarHBondContact O-CG 3.27Å; L12-F16 PolarHBondContact O-N 3.08Å; L12-F31 HydrophobicContact CD1-CB 3.81Å; L12-F31 HydrophobicContact CD1-CD1 3.92Å; L12-F31 HydrophobicContact CD1-CG 3.82Å; L12-M313 HydrophobicContact CD2-CE 4.42Å
13E93.3Very high93.5Very high91 Ų9190 Ų9043%0.42543%0.431SS..Hα-helixtrans-59.6-38.8-178-175174.2-171.800112.3Q10 A11 V15 F16 I17Q10-E13 WeakPolarHBondContact O-CB 3.48Å; Q10-E13 PolarHBondContact O-N 3.48Å; A11-E13 PolarHBondContact O-N 3.42Å; E13-V15 PolarHBondContact O-N 2.67Å; E13-F16 PolarHBondContact O-N 3.2Å; E13-I17 HydrophobicContact CG-CD1 3.97Å; E13-I17 WeakPolarHBondContact O-CD1 2.9Å; E13-I17 WeakPolarHBondContact O-CG1 3.41Å; E13-I17 PolarHBondContact O-N 3.46Å
14R94.7Very high93.3Very high192 Ų19288.3 Ų88.373%0.72543%0.431SS*.Hα-helixtrans-61.9-45.1176.9-66.6-176.5-177.1178.61.4111.4L12 I17 E18L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.32Å; R14-I17 PolarHBondContact O-N 3.02Å; R14-E18 WeakPolarHBondContact O-CG 3.26Å; R14-E18 PolarHBondContact O-N 3.43Å
15V95.4Very high93.1Very high65 Ų6585.8 Ų85.839%0.39442%0.422SS..Hα-helixtrans-65.6-43178.8-177.30000110.6L12 E13 I17 E18 N19L12-V15 PolarHBondContact O-N 2.83Å; L12-V15 VanDerWaalsContact O-N 3.14Å; E13-V15 PolarHBondContact O-N 2.67Å; V15-I17 VanDerWaalsContact C-N 3.31Å; V15-I17 PolarHBondContact O-N 2.72Å; V15-E18 PolarHBondContact O-N 3Å; V15-N19 PolarHBondContact O-N 3.49Å; V15-N19 PolarHBondContact O-ND2 3.09Å; V15-N19 PolarHBondContact O-OD1 3.45Å
16F95.1Very high92.9Very high8 Ų886.7 Ų86.74%0.03543%0.427CS..Hα-helixtrans-62.2-38.6177.6-65.6-29.2000113L12 E13 R20 Q29 F31 Y41 M313L12-F16 HydrophobicContact CB-CD2 4.3Å; L12-F16 HydrophobicContact CB-CE2 3.86Å; L12-F16 HydrophobicContact CB-CZ 4.04Å; L12-F16 HydrophobicContact CD1-CZ 4.39Å; L12-F16 WeakPolarHBondContact O-CD2 3.37Å; L12-F16 WeakPolarHBondContact O-CG 3.27Å; L12-F16 PolarHBondContact O-N 3.08Å; E13-F16 PolarHBondContact O-N 3.2Å; F16-R20 PolarHBondContact O-N 3.28Å; F16-Q29 HydrophobicContact CD1-CB 3.74Å; F16-Q29 HydrophobicContact CD1-CG 4.45Å; F16-Q29 HydrophobicContact CE1-CB 3.9Å; F16-Q29 HydrophobicContact CG-CB 4.25Å; F16-Q29 PolarHBondContact O-NE2 3.16Å; F16-F31 HydrophobicContact CZ-CB 4.43Å; F16-Y41 HydrophobicContact CB-CD1 3.7Å; F16-Y41 HydrophobicContact CB-CD2 4.17Å; F16-Y41 HydrophobicContact CB-CE1 4.4Å; F16-Y41 HydrophobicContact CB-CG 3.56Å; F16-Y41 HydrophobicContact CD2-CG 4.37Å; F16-Y41 HydrophobicContact CG-CG 4.32Å; F16-Y41 WeakPolarHBondContact O-CE1 3.37Å; F16-M313 HydrophobicContact CE1-CE 3.73Å; F16-M313 HydrophobicContact CZ-CE 4.21Å
17I94.5Very high92.6Very high44 Ų4487.6 Ų87.623%0.22643%0.426CS..Hα-helixtrans-65.9-44.4174.3-67.5162.8000110.6E13 R14 V15 R20 R21 Y41E13-I17 HydrophobicContact CG-CD1 3.97Å; E13-I17 WeakPolarHBondContact O-CD1 2.9Å; E13-I17 WeakPolarHBondContact O-CG1 3.41Å; E13-I17 PolarHBondContact O-N 3.46Å; R14-I17 PolarHBondContact O-N 3.02Å; V15-I17 VanDerWaalsContact C-N 3.31Å; V15-I17 PolarHBondContact O-N 2.72Å; I17-R20 PolarHBondContact O-N 3.1Å; I17-R21 HydrophobicContact CG2-CG 4.48Å; I17-R21 VanDerWaalsContact O-CG 3.31Å; I17-R21 WeakPolarHBondContact O-CG 3.46Å; I17-R21 PolarHBondContact O-N 3.09Å; I17-Y41 HydrophobicContact CD1-CE2 4.5Å; I17-Y41 HydrophobicContact CG1-CE2 3.6Å; I17-Y41 WeakPolarHBondContact CG1-OH 3.24Å
18E95.8Very high92.4Very high117 Ų11783.1 Ų83.155%0.54740%0.4SS..Hα-helixtrans-61-48.1178-75.4169.6-170.900111.5R14 V15 R20 R21 E22R14-E18 WeakPolarHBondContact O-CG 3.26Å; R14-E18 PolarHBondContact O-N 3.43Å; V15-E18 PolarHBondContact O-N 3Å; E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 PolarHBondContact O-N 3.03Å; E18-R21 WeakPolarHBondContact O-CB 3.43Å; E18-R21 PolarHBondContact O-N 2.89Å; E18-E22 PolarHBondContact O-N 3.33Å
19N94.9Very high92.5Very high58 Ų5879.1 Ų79.131%0.3139%0.385SS..Hα-helixtrans-56.3-43.7177.1-68.2-14000112.1V15 R21 E22 D23 L26 Q29V15-N19 PolarHBondContact O-N 3.49Å; V15-N19 PolarHBondContact O-ND2 3.09Å; V15-N19 PolarHBondContact O-OD1 3.45Å; N19-R21 VanDerWaalsContact C-N 3.33Å; N19-E22 PolarHBondContact O-N 2.83Å; N19-D23 PolarHBondContact O-N 3.05Å; N19-L26 HydrophobicContact CB-CD1 4.13Å; N19-Q29 VanDerWaalsContact CB-OE1 3.29Å; N19-Q29 PolarHBondContact ND2-OE1 3.29Å
20R92.8Very high92.5Very high97 Ų9779.1 Ų79.137%0.36639%0.385SS..Hα-helixtrans-73.1-25.8179.4-169.9173.7-175.3-167.92.3113.3F16 I17 E18 D23 S24 Y41 P42F16-R20 PolarHBondContact O-N 3.28Å; I17-R20 PolarHBondContact O-N 3.1Å; E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 PolarHBondContact O-N 3.03Å; R20-D23 WeakPolarHBondContact CA-O 3.38Å; R20-D23 CarbonylContact O-C 3.55Å; R20-D23 VanDerWaalsContact O-C 3.24Å; R20-S24 PolarHBondContact O-N 3.41Å; R20-Y41 HydrophobicContact CB-CE1 3.92Å; R20-Y41 HydrophobicContact CG-CE1 4.43Å; R20-P42 VanDerWaalsContact NH1-CB 3.31Å; R20-P42 VanDerWaalsContact NH1-CG 3.26Å
21R94.1Very high92.6Very high204 Ų20474 Ų7477%0.7736%0.362SS*.Hα-helixtrans-72.2-34.3172.3-76.3174.8178.5178.51.2111.4I17 E18 N19I17-R21 HydrophobicContact CG2-CG 4.48Å; I17-R21 VanDerWaalsContact O-CG 3.31Å; I17-R21 WeakPolarHBondContact O-CG 3.46Å; I17-R21 PolarHBondContact O-N 3.09Å; E18-R21 WeakPolarHBondContact O-CB 3.43Å; E18-R21 PolarHBondContact O-N 2.89Å; N19-R21 VanDerWaalsContact C-N 3.33Å
22E95.7Very high92.6Very high174 Ų17470.7 Ų70.781%0.81333%0.334SS*.Hα-helixtrans-71.7-45.3173.8-171.4172.9-17700111.4E18 N19E18-E22 PolarHBondContact O-N 3.33Å; N19-E22 PolarHBondContact O-N 2.83Å
23D90.5Very high92.5Very high68 Ų6869.2 Ų69.236%0.36433%0.326SS..  trans-128.6106176.1-174.2-4.2000111.9N19 R20 S25 L26N19-D23 PolarHBondContact O-N 3.05Å; R20-D23 WeakPolarHBondContact CA-O 3.38Å; R20-D23 CarbonylContact O-C 3.55Å; R20-D23 VanDerWaalsContact O-C 3.24Å; D23-S25 VanDerWaalsContact CG-OG 3.27Å; D23-S25 PolarHBondContact O-N 3.11Å; D23-S25 WeakPolarHBondContact OD1-CA 3.42Å; D23-S25 VanDerWaalsContact OD1-CB 3.25Å; D23-S25 WeakPolarHBondContact OD1-CB 3.49Å; D23-S25 PolarHBondContact OD1-N 2.96Å; D23-S25 PolarHBondContact OD1-OG 3.43Å; D23-S25 PolarHBondContact OD2-OG 2.91Å; D23-L26 HydrophobicContact CB-CD1 4.02Å; D23-L26 HydrophobicContact CB-CG 4Å; D23-L26 PolarHBondContact O-N 3.11Å
24S86.8Confident92.3Very high105 Ų10566 Ų6673%0.73432%0.315SS*.THydrogen-bonded Turntrans-70.3-15.2178.258.40000114.2R20R20-S24 PolarHBondContact O-N 3.41Å
25S84.3Confident91.9Very high60 Ų6059 Ų5942%0.4229%0.294SS..THydrogen-bonded Turntrans-80.6-17.4179.277.90000113.1D23 R27D23-S25 VanDerWaalsContact CG-OG 3.27Å; D23-S25 PolarHBondContact O-N 3.11Å; D23-S25 WeakPolarHBondContact OD1-CA 3.42Å; D23-S25 VanDerWaalsContact OD1-CB 3.25Å; D23-S25 WeakPolarHBondContact OD1-CB 3.49Å; D23-S25 PolarHBondContact OD1-N 2.96Å; D23-S25 PolarHBondContact OD1-OG 3.43Å; D23-S25 PolarHBondContact OD2-OG 2.91Å; S25-R27 PolarHBondContact O-N 2.98Å
26L86.8Confident91.6Very high42 Ų4257.1 Ų57.122%0.2229%0.288CS..  trans-56.2131.2176.7-78.7174.2000111.4N19 D23 V315N19-L26 HydrophobicContact CB-CD1 4.13Å; D23-L26 HydrophobicContact CB-CD1 4.02Å; D23-L26 HydrophobicContact CB-CG 4Å; D23-L26 PolarHBondContact O-N 3.11Å; L26-V315 HydrophobicContact CD2-CG2 3.73Å
27R86.8Confident91.4Very high93 Ų9358 Ų5835%0.35129%0.293SS..  trans-92-123.7179-56.6-56.2-173.8175.3-0.4109.7S25 L278 E321S25-R27 PolarHBondContact O-N 2.98Å; R27-L278 HydrophobicContact CB-CD1 3.86Å; R27-L278 HydrophobicContact CG-CD1 4.37Å; R27-E321 IonicContact CZ-OE1 3.71Å; R27-E321 IonicContact NH2-OE1 2.7Å; R27-E321 PolarHBondContact NH2-OE1 3.49Å
28W90.4Very high91.3Very high22 Ų2257.7 Ų57.78%0.08329%0.293CS..  trans-74.9129.6179.8-56.8132.2000111.3Y40 P42 T44 D274 L276 L278 D316W28-Y40 HydrophobicContact CB-CD1 4.44Å; W28-P42 HydrophobicContact CE3-CG 4.27Å; W28-P42 HydrophobicContact CZ3-CG 3.68Å; W28-P42 VanDerWaalsContact CZ3-O 3.24Å; W28-P42 WeakPolarHBondContact CZ3-O 3.46Å; W28-T44 HydrophobicContact CH2-CG2 3.53Å; W28-T44 WeakPolarHBondContact CH2-OG1 3.35Å; W28-T44 HydrophobicContact CZ3-CG2 4.03Å; W28-D274 PolarHBondContact NE1-OD2 2.91Å; W28-L276 HydrophobicContact CD2-CD1 3.8Å; W28-L276 HydrophobicContact CE3-CD1 4.21Å; W28-L276 HydrophobicContact CG-CD1 4.24Å; W28-L276 HydrophobicContact CH2-CD1 4.31Å; W28-L276 HydrophobicContact CZ2-CB 3.88Å; W28-L276 HydrophobicContact CZ2-CD1 3.88Å; W28-L276 HydrophobicContact CZ3-CD1 4.43Å; W28-L278 HydrophobicContact CD2-CD1 4.43Å; W28-L278 HydrophobicContact CG-CD1 4Å; W28-L278 HydrophobicContact CZ2-CG 4.43Å; W28-L278 VanDerWaalsContact NE1-CG 3.27Å; W28-D316 HydrophobicContact CB-CB 4.29Å; W28-D316 PolarHBondContact O-N 2.99Å
29Q93.9Very high91.1Very high8 Ų855.3 Ų55.34%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-105.7125.3162.6-63.3172.872.500107.3F16 N19 Y40 Y41F16-Q29 HydrophobicContact CD1-CB 3.74Å; F16-Q29 HydrophobicContact CD1-CG 4.45Å; F16-Q29 HydrophobicContact CE1-CB 3.9Å; F16-Q29 HydrophobicContact CG-CB 4.25Å; F16-Q29 PolarHBondContact O-NE2 3.16Å; N19-Q29 VanDerWaalsContact CB-OE1 3.29Å; N19-Q29 PolarHBondContact ND2-OE1 3.29Å; Q29-Y40 CarbonylContact O-C 3.32Å; Q29-Y40 WeakPolarHBondContact O-CA 3.29Å; Q29-Y41 PolarHBondContact N-O 3.45Å; Q29-Y41 PolarHBondContact O-N 3.48Å
30V93.4Very high91Very high1 Ų154.8 Ų54.81%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-127.6139.4-173.562.40000112.2T38 R39 Y40 W62 M313 G314V30-T38 HydrophobicContact CG2-CG2 3.41Å; V30-T38 VanDerWaalsContact CG2-CG2 3.41Å; V30-R39 CarbonylContact C-O 3.52Å; V30-R39 VanDerWaalsContact CA-O 3.28Å; V30-R39 WeakPolarHBondContact CA-O 3.41Å; V30-Y40 HydrophobicContact CB-CD1 3.66Å; V30-Y40 HydrophobicContact CB-CE1 3.51Å; V30-Y40 HydrophobicContact CG1-CE1 4.32Å; V30-Y40 HydrophobicContact CG2-CD1 3.67Å; V30-Y40 HydrophobicContact CG2-CE1 3.24Å; V30-Y40 HydrophobicContact CG2-CE2 4.16Å; V30-Y40 HydrophobicContact CG2-CG 4.29Å; V30-W62 HydrophobicContact CG1-CH2 3.86Å; V30-W62 HydrophobicContact CG1-CZ2 3.92Å; V30-W62 HydrophobicContact CG1-CZ3 4.35Å; V30-W62 HydrophobicContact CG2-CH2 3.89Å; V30-W62 HydrophobicContact CG2-CZ2 3.88Å; V30-M313 CarbonylContact O-C 3.52Å; V30-M313 WeakPolarHBondContact O-CA 3.04Å; V30-G314 WeakPolarHBondContact CG1-O 3.45Å; V30-G314 PolarHBondContact N-O 3.36Å; V30-G314 PolarHBondContact O-N 3.48Å
31F95.6Very high90.9Very high3 Ų352.4 Ų52.41%0.01327%0.265CS..EExtended strand (participates in β ladder)trans-118.7116.5161.9174-109.7000109.2W8 T9 L12 F16 T38 R39 V288 M313W8-F31 HydrophobicContact CH2-CD1 4.48Å; W8-F31 AromaticContact CH2-CE1 3.51Å; W8-F31 HydrophobicContact CH2-CE1 3.51Å; W8-F31 HydrophobicContact CH2-CE2 4.33Å; W8-F31 AromaticContact CH2-CZ 3.42Å; W8-F31 HydrophobicContact CH2-CZ 3.42Å; W8-F31 VanDerWaalsContact CH2-CZ 3.42Å; W8-F31 AromaticContact CZ2-CE1 3.84Å; W8-F31 HydrophobicContact CZ2-CE1 3.84Å; W8-F31 AromaticContact CZ2-CZ 3.92Å; W8-F31 HydrophobicContact CZ2-CZ 3.92Å; W8-F31 HydrophobicContact CZ3-CE1 4.43Å; W8-F31 HydrophobicContact CZ3-CZ 4.49Å; T9-F31 HydrophobicContact CG2-CD1 3.74Å; T9-F31 HydrophobicContact CG2-CE1 3.53Å; L12-F31 HydrophobicContact CD1-CB 3.81Å; L12-F31 HydrophobicContact CD1-CD1 3.92Å; L12-F31 HydrophobicContact CD1-CG 3.82Å; F16-F31 HydrophobicContact CZ-CB 4.43Å; F31-T38 WeakPolarHBondContact O-CA 3.35Å; F31-R39 PolarHBondContact N-O 3.41Å; F31-R39 PolarHBondContact O-N 3.2Å; F31-V288 HydrophobicContact CD2-CG2 4.42Å; F31-V288 HydrophobicContact CE2-CB 4.34Å; F31-V288 HydrophobicContact CE2-CG2 4.05Å; F31-M313 HydrophobicContact CB-CG 4.48Å; F31-M313 HydrophobicContact CD2-CG 3.75Å
32G94.6Very high90.8Very high0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-97.1116.1170.700000109.7Y63 G311 V312G32-Y63 WeakPolarHBondContact O-CE2 3.45Å; G32-G311 CarbonylContact O-C 3.59Å; G32-G311 WeakPolarHBondContact O-CA 3.47Å; G32-V312 PolarHBondContact N-O 3.39Å; G32-V312 PolarHBondContact O-N 3.36Å
33S93.3Very high90.5Very high1 Ų140.2 Ų40.21%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-78.8148.7176.7175.80000111.1E5 T35 G36 V37E5-S33 WeakPolarHBondContact OE2-CB 3.45Å; E5-S33 PolarHBondContact OE2-OG 3.41Å; S33-T35 WeakPolarHBondContact CB-OG1 3.3Å; S33-T35 PolarHBondContact O-N 3.04Å; S33-T35 VanDerWaalsContact O-N 3.13Å; S33-T35 PolarHBondContact OG-N 3.18Å; S33-T35 PolarHBondContact OG-OG1 3Å; S33-G36 PolarHBondContact O-N 3.38Å; S33-V37 VanDerWaalsContact CB-O 3.22Å; S33-V37 WeakPolarHBondContact CB-O 3.3Å; S33-V37 PolarHBondContact N-O 3.22Å
34A89Confident90.2Very high23 Ų2340.1 Ų40.119%0.1924%0.237CC..THydrogen-bonded Turntrans-58.8-22170.200000112.8G36 R58 Y63 L310A34-G36 VanDerWaalsContact C-N 3.25Å; A34-G36 PolarHBondContact O-N 3.47Å; A34-R58 WeakPolarHBondContact O-CD 3.3Å; A34-Y63 WeakPolarHBondContact CA-OH 3.39Å; A34-L310 PolarHBondContact N-O 2.9Å
35T87Confident90.2Very high47 Ų4740.5 Ų40.529%0.28824%0.237SC..THydrogen-bonded Turntrans-76.6-8.5174.566.40000114.1V1 E5 S33V1-T35 HydrophobicContact CG1-CG2 3.73Å; E5-T35 HydrophobicContact CG-CG2 3.68Å; E5-T35 WeakPolarHBondContact CG-OG1 3.43Å; S33-T35 WeakPolarHBondContact CB-OG1 3.3Å; S33-T35 PolarHBondContact O-N 3.04Å; S33-T35 VanDerWaalsContact O-N 3.13Å; S33-T35 PolarHBondContact OG-N 3.18Å; S33-T35 PolarHBondContact OG-OG1 3Å
36G87.7Confident90.1Very high25 Ų2542 Ų4226%0.25823%0.234SC..SBendtrans92.7-5.6-176.100000114.7S33 A34S33-G36 PolarHBondContact O-N 3.38Å; A34-G36 VanDerWaalsContact C-N 3.25Å; A34-G36 PolarHBondContact O-N 3.47Å
37V91.8Very high89.3Confident25 Ų2548.1 Ų48.115%0.15225%0.254CS..  trans-73.6136.7174.4179.60000110I2 E5 L6 S33I2-V37 HydrophobicContact CB-CG2 4.46Å; I2-V37 HydrophobicContact CG1-CG2 4.26Å; I2-V37 HydrophobicContact CG2-CG2 3.88Å; E5-V37 HydrophobicContact CB-CG2 4.42Å; L6-V37 HydrophobicContact CD2-CG1 3.87Å; S33-V37 VanDerWaalsContact CB-O 3.22Å; S33-V37 WeakPolarHBondContact CB-O 3.3Å; S33-V37 PolarHBondContact N-O 3.22Å
38T91.8Very high88Confident38 Ų3846.6 Ų46.623%0.23326%0.261CS..EExtended strand (participates in β ladder)trans-126.3139.4179.4-43.40000111V30 F31 Y40 V57V30-T38 HydrophobicContact CG2-CG2 3.41Å; V30-T38 VanDerWaalsContact CG2-CG2 3.41Å; F31-T38 WeakPolarHBondContact O-CA 3.35Å; T38-Y40 HydrophobicContact CG2-CD2 4Å; T38-Y40 HydrophobicContact CG2-CE1 4.49Å; T38-Y40 HydrophobicContact CG2-CE2 3.28Å; T38-V57 HydrophobicContact CG2-CB 4.42Å; T38-V57 HydrophobicContact CG2-CG2 3.96Å; T38-V57 WeakPolarHBondContact OG1-CB 3.26Å; T38-V57 WeakPolarHBondContact OG1-CG1 3.35Å
39R92.6Very high86.6Confident68 Ų6849 Ų4926%0.25728%0.279SS..EExtended strand (participates in β ladder)trans-120.8131.6172-62.3-168.783.5115.72.3110.3L6 T9 V30 F31L6-R39 PolarHBondContact O-NH1 3.22Å; L6-R39 VanDerWaalsContact O-NH1 3.14Å; T9-R39 VanDerWaalsContact OG1-CD 3.26Å; T9-R39 WeakPolarHBondContact OG1-CD 3.15Å; T9-R39 PolarHBondContact OG1-NH1 3.08Å; V30-R39 CarbonylContact C-O 3.52Å; V30-R39 VanDerWaalsContact CA-O 3.28Å; V30-R39 WeakPolarHBondContact CA-O 3.41Å; F31-R39 PolarHBondContact N-O 3.41Å; F31-R39 PolarHBondContact O-N 3.2Å
40Y91.1Very high84.7Confident47 Ų4757.2 Ų57.218%0.18432%0.324CS..EExtended strand (participates in β ladder)trans-116.5146.2176.2-68.3-85.4000110.5W28 Q29 V30 T38 W46 Y55 L276W28-Y40 HydrophobicContact CB-CD1 4.44Å; Q29-Y40 CarbonylContact O-C 3.32Å; Q29-Y40 WeakPolarHBondContact O-CA 3.29Å; V30-Y40 HydrophobicContact CB-CD1 3.66Å; V30-Y40 HydrophobicContact CB-CE1 3.51Å; V30-Y40 HydrophobicContact CG1-CE1 4.32Å; V30-Y40 HydrophobicContact CG2-CD1 3.67Å; V30-Y40 HydrophobicContact CG2-CE1 3.24Å; V30-Y40 HydrophobicContact CG2-CE2 4.16Å; V30-Y40 HydrophobicContact CG2-CG 4.29Å; T38-Y40 HydrophobicContact CG2-CD2 4Å; T38-Y40 HydrophobicContact CG2-CE1 4.49Å; T38-Y40 HydrophobicContact CG2-CE2 3.28Å; Y40-W46 HydrophobicContact CD2-CZ3 4.19Å; Y40-W46 HydrophobicContact CE2-CH2 4.28Å; Y40-W46 AromaticContact CE2-CZ3 3.68Å; Y40-W46 HydrophobicContact CE2-CZ3 3.68Å; Y40-Y55 PolarHBondContact OH-OH 2.95Å; Y40-L276 HydrophobicContact CD1-CD1 4.05Å; Y40-L276 HydrophobicContact CE1-CD1 4.37Å; Y40-L276 HydrophobicContact CG-CD1 4.2Å
41Y92Very high83.2Confident46 Ų4662.2 Ų62.218%0.1835%0.345CS..EExtended strand (participates in β ladder)trans-134.3136.4168.4-177.6-91000110.5F16 I17 R20 Q29F16-Y41 HydrophobicContact CB-CD1 3.7Å; F16-Y41 HydrophobicContact CB-CD2 4.17Å; F16-Y41 HydrophobicContact CB-CE1 4.4Å; F16-Y41 HydrophobicContact CB-CG 3.56Å; F16-Y41 HydrophobicContact CD2-CG 4.37Å; F16-Y41 HydrophobicContact CG-CG 4.32Å; F16-Y41 WeakPolarHBondContact O-CE1 3.37Å; I17-Y41 HydrophobicContact CD1-CE2 4.5Å; I17-Y41 HydrophobicContact CG1-CE2 3.6Å; I17-Y41 WeakPolarHBondContact CG1-OH 3.24Å; R20-Y41 HydrophobicContact CB-CE1 3.92Å; R20-Y41 HydrophobicContact CG-CE1 4.43Å; Q29-Y41 PolarHBondContact N-O 3.45Å; Q29-Y41 PolarHBondContact O-N 3.48Å
42P91Very high82.1Confident29 Ų2969.3 Ų69.319%0.18838%0.382CS..SBendcis-65163.9-4.828-34.7000113.2R20 W28 T44R20-P42 VanDerWaalsContact NH1-CB 3.31Å; R20-P42 VanDerWaalsContact NH1-CG 3.26Å; W28-P42 HydrophobicContact CE3-CG 4.27Å; W28-P42 HydrophobicContact CZ3-CG 3.68Å; W28-P42 VanDerWaalsContact CZ3-O 3.24Å; W28-P42 WeakPolarHBondContact CZ3-O 3.46Å; P42-T44 PolarHBondContact O-N 3.38Å
43A89.3Confident81.1Confident94 Ų9472.5 Ų72.578%0.77740%0.399SS*.  trans-73.2128.7174.700000110
44T85.9Confident80.4Confident66 Ų6676.7 Ų76.741%0.40542%0.421SS..  trans-135150.3170.3470000110.6W28 P42 W46W28-T44 HydrophobicContact CH2-CG2 3.53Å; W28-T44 WeakPolarHBondContact CH2-OG1 3.35Å; W28-T44 HydrophobicContact CZ3-CG2 4.03Å; P42-T44 PolarHBondContact O-N 3.38Å; T44-W46 PolarHBondContact O-N 2.82Å
45P85.2Confident80.1Confident112 Ų11278.2 Ų78.273%0.72742%0.422SS*.  trans-58.8132.8173.826.1-33.9000109.2R47P45-R47 PolarHBondContact O-N 3.04Å
46W81.9Confident80.1Confident93 Ų9377.3 Ų77.335%0.35242%0.415SS..  trans-63.8122.5177.1-167.5-100000109Y40 T44 A48 D53 Y55 A275 L276Y40-W46 HydrophobicContact CD2-CZ3 4.19Å; Y40-W46 HydrophobicContact CE2-CH2 4.28Å; Y40-W46 AromaticContact CE2-CZ3 3.68Å; Y40-W46 HydrophobicContact CE2-CZ3 3.68Å; T44-W46 PolarHBondContact O-N 2.82Å; W46-A48 PolarHBondContact O-N 3.48Å; W46-D53 PolarHBondContact NE1-OD2 2.92Å; W46-Y55 AromaticContact CH2-CD1 3.95Å; W46-Y55 HydrophobicContact CH2-CD1 3.95Å; W46-Y55 AromaticContact CH2-CD2 3.96Å; W46-Y55 HydrophobicContact CH2-CD2 3.96Å; W46-Y55 AromaticContact CH2-CE1 3.88Å; W46-Y55 HydrophobicContact CH2-CE1 3.88Å; W46-Y55 AromaticContact CH2-CE2 3.85Å; W46-Y55 HydrophobicContact CH2-CE2 3.85Å; W46-Y55 HydrophobicContact CH2-CG 4.01Å; W46-Y55 AromaticContact CH2-CZ 3.83Å; W46-Y55 AromaticContact CZ2-CD1 3.86Å; W46-Y55 HydrophobicContact CZ2-CD1 3.86Å; W46-Y55 AromaticContact CZ2-CD2 3.68Å; W46-Y55 HydrophobicContact CZ2-CD2 3.68Å; W46-Y55 HydrophobicContact CZ2-CE1 4.26Å; W46-Y55 HydrophobicContact CZ2-CE2 4.07Å; W46-Y55 AromaticContact CZ2-CG 3.57Å; W46-Y55 HydrophobicContact CZ2-CG 3.57Å; W46-A275 HydrophobicContact CH2-CB 4.27Å; W46-A275 HydrophobicContact CZ2-CB 4.43Å; W46-L276 HydrophobicContact CD2-CD2 4.19Å; W46-L276 HydrophobicContact CE3-CD2 3.5Å; W46-L276 VanDerWaalsContact CE3-CD2 3.5Å; W46-L276 HydrophobicContact CE3-CG 4.49Å; W46-L276 HydrophobicContact CH2-CD2 4.49Å; W46-L276 HydrophobicContact CZ3-CD2 3.67Å; W46-L276 HydrophobicContact CZ3-CG 4.19Å
47R70.9Confident80.1Confident169 Ų16976.1 Ų76.164%0.63840%0.403SS*.  trans-76.274.8174.1-70.6-175.8-179.5169.60.6108.5P45 L276P45-R47 PolarHBondContact O-N 3.04Å; R47-L276 PolarHBondContact NH1-O 2.92Å
48A60.2Low79.9Confident61 Ų6177 Ų7750%0.50440%0.404SS..  trans-61.4129.8170.100000107.8W46W46-A48 PolarHBondContact O-N 3.48Å
49P59.7Low79.7Confident72 Ų7277.1 Ų77.147%0.46840%0.4SS..  trans-56.3165.4168.522.5-29.2000109.4K51P49-K51 PolarHBondContact O-N 2.65Å
50N54.4Low79.4Confident181 Ų18174.7 Ų74.797%0.96839%0.391SS*.SBendtrans-60.38.7173.1-70.7-9.4000113.9
51K62.3Low79.3Confident107 Ų10774 Ų7447%0.46539%0.392SS..SBendtrans-128.4163179.5-67-173.5-179.3-178.70110.2P49 D53 I784P49-K51 PolarHBondContact O-N 2.65Å; K51-D53 PolarHBondContact O-N 3.35Å; K51-I784 PolarHBondContact NZ-O 3.35Å
52I73.3Confident79.2Confident151 Ų15171.9 Ų71.977%0.77438%0.384SS*.  trans-52.4123.8175.3-58.4171.2000109.9L54I52-L54 HydrophobicContact CG2-CD2 4.34Å
53D72.6Confident79.3Confident67 Ų6770.8 Ų70.836%0.35838%0.376SS..  trans-78.5128.7176.4-17212.3000110.9W46 K51 Y55W46-D53 PolarHBondContact NE1-OD2 2.92Å; K51-D53 PolarHBondContact O-N 3.35Å; D53-Y55 VanDerWaalsContact OD1-CB 3.25Å; D53-Y55 WeakPolarHBondContact OD1-CB 2.86Å; D53-Y55 PolarHBondContact OD1-N 3.46Å; D53-Y55 VanDerWaalsContact OD2-CB 3.28Å; D53-Y55 WeakPolarHBondContact OD2-CB 3.32Å
54L78.4Confident79.4Confident89 Ų8966.7 Ų66.747%0.46634%0.341SS..  trans-107.720.3176.8-62179.8000111.2I52 D56 R242I52-L54 HydrophobicContact CG2-CD2 4.34Å; L54-D56 PolarHBondContact O-N 3.28Å; L54-R242 PolarHBondContact O-NH2 3.01Å
55Y83.4Confident79.6Confident56 Ų5665.2 Ų65.222%0.2233%0.329CS..  trans-57.8129.1178.1-176.7-86.3000112.4Y40 W46 D53 V57 R60 A275Y40-Y55 PolarHBondContact OH-OH 2.95Å; W46-Y55 AromaticContact CH2-CD1 3.95Å; W46-Y55 HydrophobicContact CH2-CD1 3.95Å; W46-Y55 AromaticContact CH2-CD2 3.96Å; W46-Y55 HydrophobicContact CH2-CD2 3.96Å; W46-Y55 AromaticContact CH2-CE1 3.88Å; W46-Y55 HydrophobicContact CH2-CE1 3.88Å; W46-Y55 AromaticContact CH2-CE2 3.85Å; W46-Y55 HydrophobicContact CH2-CE2 3.85Å; W46-Y55 HydrophobicContact CH2-CG 4.01Å; W46-Y55 AromaticContact CH2-CZ 3.83Å; W46-Y55 AromaticContact CZ2-CD1 3.86Å; W46-Y55 HydrophobicContact CZ2-CD1 3.86Å; W46-Y55 AromaticContact CZ2-CD2 3.68Å; W46-Y55 HydrophobicContact CZ2-CD2 3.68Å; W46-Y55 HydrophobicContact CZ2-CE1 4.26Å; W46-Y55 HydrophobicContact CZ2-CE2 4.07Å; W46-Y55 AromaticContact CZ2-CG 3.57Å; W46-Y55 HydrophobicContact CZ2-CG 3.57Å; D53-Y55 VanDerWaalsContact OD1-CB 3.25Å; D53-Y55 WeakPolarHBondContact OD1-CB 2.86Å; D53-Y55 PolarHBondContact OD1-N 3.46Å; D53-Y55 VanDerWaalsContact OD2-CB 3.28Å; D53-Y55 WeakPolarHBondContact OD2-CB 3.32Å; Y55-V57 HydrophobicContact CE1-CB 4.24Å; Y55-R60 HydrophobicContact CE2-CG 4.17Å; Y55-A275 HydrophobicContact CD2-CB 4.26Å; Y55-A275 HydrophobicContact CE2-CB 3.91Å
56D86.4Confident79.8Confident28 Ų2860 Ų6015%0.1530%0.296CS..  trans-135127.6167.6-170.7-30.6000107.9L54 R58 R59 Q246L54-D56 PolarHBondContact O-N 3.28Å; D56-R58 VanDerWaalsContact C-N 3.26Å; D56-R58 PolarHBondContact O-N 3.27Å; D56-R58 WeakPolarHBondContact OD1-CB 3.19Å; D56-R58 IonicContact OD1-CZ 2.62Å; D56-R58 PolarHBondContact OD1-N 2.81Å; D56-R58 IonicContact OD1-NE 3.01Å; D56-R58 PolarHBondContact OD1-NE 3.29Å; D56-R58 VanDerWaalsContact OD1-NE 3.09Å; D56-R58 IonicContact OD1-NH2 3.1Å; D56-R58 IonicContact OD2-CZ 2.73Å; D56-R58 IonicContact OD2-NE 3.43Å; D56-R58 PolarHBondContact OD2-NE 2.85Å; D56-R58 IonicContact OD2-NH2 3.76Å; D56-R58 PolarHBondContact OD2-NH2 3.01Å; D56-R59 HydrophobicContact CB-CG 4.28Å; D56-R59 PolarHBondContact O-N 3.1Å; D56-Q246 PolarHBondContact OD2-NE2 3.44Å
57V88Confident80.1Confident0 Ų055.7 Ų55.70%028%0.28CS..G310 helixtrans-64.2-32.9-176.869.60000112.5T38 Y55 R59 R60 W62 Y63T38-V57 HydrophobicContact CG2-CB 4.42Å; T38-V57 HydrophobicContact CG2-CG2 3.96Å; T38-V57 WeakPolarHBondContact OG1-CB 3.26Å; T38-V57 WeakPolarHBondContact OG1-CG1 3.35Å; Y55-V57 HydrophobicContact CE1-CB 4.24Å; V57-R59 PolarHBondContact O-N 3.16Å; V57-R60 WeakPolarHBondContact O-CB 3.37Å; V57-R60 WeakPolarHBondContact O-CG 3.43Å; V57-R60 PolarHBondContact O-N 2.72Å; V57-R60 VanDerWaalsContact O-N 3.07Å; V57-W62 HydrophobicContact CG2-CH2 3.54Å; V57-W62 HydrophobicContact CG2-CZ2 3.26Å; V57-Y63 HydrophobicContact CG2-CD2 4.38Å; V57-Y63 WeakPolarHBondContact O-CB 3.24Å
58R88.4Confident81Confident43 Ų4348 Ų4816%0.16225%0.252CS..G310 helixtrans-71-18.6-175.9-63.4169.2-65.2176.90.8112.9A34 D56 Y63 I64A34-R58 WeakPolarHBondContact O-CD 3.3Å; D56-R58 VanDerWaalsContact C-N 3.26Å; D56-R58 PolarHBondContact O-N 3.27Å; D56-R58 WeakPolarHBondContact OD1-CB 3.19Å; D56-R58 IonicContact OD1-CZ 2.62Å; D56-R58 PolarHBondContact OD1-N 2.81Å; D56-R58 IonicContact OD1-NE 3.01Å; D56-R58 PolarHBondContact OD1-NE 3.29Å; D56-R58 VanDerWaalsContact OD1-NE 3.09Å; D56-R58 IonicContact OD1-NH2 3.1Å; D56-R58 IonicContact OD2-CZ 2.73Å; D56-R58 IonicContact OD2-NE 3.43Å; D56-R58 PolarHBondContact OD2-NE 2.85Å; D56-R58 IonicContact OD2-NH2 3.76Å; D56-R58 PolarHBondContact OD2-NH2 3.01Å; R58-Y63 HydrophobicContact CB-CD1 4.15Å; R58-Y63 HydrophobicContact CB-CE1 4.09Å; R58-Y63 HydrophobicContact CG-CD1 4.38Å; R58-Y63 HydrophobicContact CG-CE1 3.96Å; R58-Y63 HydrophobicContact CG-CE2 4.29Å; R58-I64 WeakPolarHBondContact O-CG1 3.29Å
59R85.6Confident82.5Confident40 Ų4045.2 Ų45.215%0.15123%0.229CC..G310 helixtrans-91.4-4.7176-62.8-169.962.2170-5.2113.3D56 V57 E97 D100D56-R59 HydrophobicContact CB-CG 4.28Å; D56-R59 PolarHBondContact O-N 3.1Å; V57-R59 PolarHBondContact O-N 3.16Å; R59-E97 IonicContact CZ-OE2 3.25Å; R59-E97 IonicContact NH1-OE2 3.97Å; R59-E97 PolarHBondContact NH1-OE2 3.07Å; R59-E97 IonicContact NH2-OE2 3.55Å; R59-E97 PolarHBondContact NH2-OE2 3.48Å; R59-D100 IonicContact NH2-OD2 3.54Å
60R87.2Confident84Confident17 Ų1742.6 Ų42.66%0.06421%0.212CC..SBendtrans-74.4138.5-179.9-55.3-60.8-74.1170.4-0.8108.7Y55 V57 W62 Y63 I64 F359Y55-R60 HydrophobicContact CE2-CG 4.17Å; V57-R60 WeakPolarHBondContact O-CB 3.37Å; V57-R60 WeakPolarHBondContact O-CG 3.43Å; V57-R60 PolarHBondContact O-N 2.72Å; V57-R60 VanDerWaalsContact O-N 3.07Å; R60-W62 VanDerWaalsContact CB-CD1 3.48Å; R60-W62 HydrophobicContact CB-CD2 4.49Å; R60-W62 HydrophobicContact CB-CG 4.13Å; R60-W62 PolarHBondContact O-N 2.89Å; R60-W62 VanDerWaalsContact O-N 3.1Å; R60-Y63 PolarHBondContact O-N 3.41Å; R60-I64 PolarHBondContact O-N 3.17Å; R60-I64 VanDerWaalsContact O-N 3.15Å; R60-F359 VanDerWaalsContact CZ-O 3.3Å; R60-F359 PolarHBondContact NH1-O 3.33Å; R60-F359 PolarHBondContact NH2-O 2.95Å
61P88.6Confident85.8Confident32 Ų3234 Ų3421%0.20817%0.166CC..Hα-helixtrans-50.9-39.2179.1-29.535.4000113.2Y63 I64 Q65P61-Y63 PolarHBondContact O-N 2.95Å; P61-I64 PolarHBondContact O-N 3.41Å; P61-Q65 WeakPolarHBondContact O-CB 3.47Å; P61-Q65 PolarHBondContact O-N 3.27Å
62W91.4Very high87.3Confident3 Ų328.9 Ų28.91%0.01114%0.144CC..Hα-helixtrans-63.1-37.9177.972.8-107.8000113.7V30 V57 R60 G66 T269 Y272 T283 T285 V312V30-W62 HydrophobicContact CG1-CH2 3.86Å; V30-W62 HydrophobicContact CG1-CZ2 3.92Å; V30-W62 HydrophobicContact CG1-CZ3 4.35Å; V30-W62 HydrophobicContact CG2-CH2 3.89Å; V30-W62 HydrophobicContact CG2-CZ2 3.88Å; V57-W62 HydrophobicContact CG2-CH2 3.54Å; V57-W62 HydrophobicContact CG2-CZ2 3.26Å; R60-W62 VanDerWaalsContact CB-CD1 3.48Å; R60-W62 HydrophobicContact CB-CD2 4.49Å; R60-W62 HydrophobicContact CB-CG 4.13Å; R60-W62 PolarHBondContact O-N 2.89Å; R60-W62 VanDerWaalsContact O-N 3.1Å; W62-G66 PolarHBondContact O-N 3.26Å; W62-T269 VanDerWaalsContact CA-CG2 3.41Å; W62-T269 HydrophobicContact CB-CG2 3.52Å; W62-Y272 AromaticContact CD1-CZ 3.93Å; W62-T283 HydrophobicContact CB-CG2 4.08Å; W62-T283 HydrophobicContact CG-CG2 4.32Å; W62-T285 HydrophobicContact CB-CG2 3.66Å; W62-T285 HydrophobicContact CE3-CG2 4.14Å; W62-T285 VanDerWaalsContact O-CG2 3.26Å; W62-T285 WeakPolarHBondContact O-CG2 3.4Å; W62-V312 HydrophobicContact CE3-CB 4.47Å; W62-V312 HydrophobicContact CE3-CG1 4.02Å; W62-V312 HydrophobicContact CZ3-CB 3.96Å; W62-V312 HydrophobicContact CZ3-CG1 3.88Å
63Y92.7Very high88.3Confident5 Ų521.7 Ų21.72%0.0211%0.107CC..Hα-helixtrans-70.3-45.9177.1-174.8-80.5000110.5G32 A34 V57 R58 R60 P61 Q65 G66 A67 V312G32-Y63 WeakPolarHBondContact O-CE2 3.45Å; A34-Y63 WeakPolarHBondContact CA-OH 3.39Å; V57-Y63 HydrophobicContact CG2-CD2 4.38Å; V57-Y63 WeakPolarHBondContact O-CB 3.24Å; R58-Y63 HydrophobicContact CB-CD1 4.15Å; R58-Y63 HydrophobicContact CB-CE1 4.09Å; R58-Y63 HydrophobicContact CG-CD1 4.38Å; R58-Y63 HydrophobicContact CG-CE1 3.96Å; R58-Y63 HydrophobicContact CG-CE2 4.29Å; R60-Y63 PolarHBondContact O-N 3.41Å; P61-Y63 PolarHBondContact O-N 2.95Å; Y63-Q65 VanDerWaalsContact C-N 3.35Å; Y63-Q65 PolarHBondContact O-N 3.3Å; Y63-G66 PolarHBondContact O-N 3.26Å; Y63-A67 HydrophobicContact CD1-CB 4.09Å; Y63-A67 HydrophobicContact CE1-CB 3.86Å; Y63-A67 WeakPolarHBondContact O-CB 3.49Å; Y63-A67 PolarHBondContact O-N 2.89Å; Y63-V312 HydrophobicContact CD2-CB 3.85Å; Y63-V312 HydrophobicContact CD2-CG2 3.85Å; Y63-V312 HydrophobicContact CE2-CB 4.1Å; Y63-V312 HydrophobicContact CE2-CG2 3.85Å; Y63-V312 HydrophobicContact CG-CB 4.47Å; Y63-V312 HydrophobicContact CG-CG2 4.2Å
64I91.1Very high89.4Confident8 Ų818.5 Ų18.54%0.0419%0.09CC..Hα-helixtrans-61.4-44.4-176.3-61.9172.8000111.1R58 R60 P61 A67 S68 L249R58-I64 WeakPolarHBondContact O-CG1 3.29Å; R60-I64 PolarHBondContact O-N 3.17Å; R60-I64 VanDerWaalsContact O-N 3.15Å; P61-I64 PolarHBondContact O-N 3.41Å; I64-A67 PolarHBondContact O-N 3.15Å; I64-S68 PolarHBondContact O-N 3.17Å; I64-S68 VanDerWaalsContact O-N 3.16Å; I64-S68 PolarHBondContact O-OG 3.14Å; I64-L249 HydrophobicContact CB-CD1 4.46Å; I64-L249 HydrophobicContact CG1-CD1 4Å; I64-L249 HydrophobicContact CG2-CD1 4.24Å; I64-L249 HydrophobicContact CG2-CD2 4.24Å
65Q89.4Confident90.3Very high35 Ų3514.3 Ų14.316%0.1647%0.068CC..Hα-helixtrans-65.4-39.7178.7-175.6174.1-100112P61 Y63 Q267 W268 T269P61-Q65 WeakPolarHBondContact O-CB 3.47Å; P61-Q65 PolarHBondContact O-N 3.27Å; Y63-Q65 VanDerWaalsContact C-N 3.35Å; Y63-Q65 PolarHBondContact O-N 3.3Å; Q65-Q267 HydrophobicContact CG-CB 4.28Å; Q65-Q267 VanDerWaalsContact CG-OE1 3.22Å; Q65-Q267 PolarHBondContact O-OE1 2.94Å; Q65-W268 PolarHBondContact NE2-O 3.12Å; Q65-T269 VanDerWaalsContact OE1-CA 3.29Å
66G89Confident90.9Very high3 Ų311.7 Ų11.73%0.0316%0.058CC..Hα-helixtrans-73.5-24.7174.700000114.2W62 Y63 M256 P287W62-G66 PolarHBondContact O-N 3.26Å; Y63-G66 PolarHBondContact O-N 3.26Å; G66-M256 WeakPolarHBondContact O-CE 3.45Å; G66-P287 WeakPolarHBondContact O-CB 3.44Å
67A90Very high91.3Very high2 Ų210.3 Ų10.32%0.0175%0.05CC..Hα-helixtrans-87.5-26.1-174.600000114.1Y63 I64 M256 I309 V312Y63-A67 HydrophobicContact CD1-CB 4.09Å; Y63-A67 HydrophobicContact CE1-CB 3.86Å; Y63-A67 WeakPolarHBondContact O-CB 3.49Å; Y63-A67 PolarHBondContact O-N 2.89Å; I64-A67 PolarHBondContact O-N 3.15Å; A67-M256 VanDerWaalsContact O-CE 3.24Å; A67-M256 WeakPolarHBondContact O-CE 3.44Å; A67-I309 HydrophobicContact CB-CD1 3.68Å; A67-V312 HydrophobicContact CB-CG2 4.26Å
68S88.5Confident91.6Very high7 Ų710.3 Ų10.35%0.0495%0.05CC..SBendtrans-146.4153.6-173.968.60000113.1I64 L249I64-S68 PolarHBondContact O-N 3.17Å; I64-S68 VanDerWaalsContact O-N 3.16Å; I64-S68 PolarHBondContact O-OG 3.14Å; S68-L249 WeakPolarHBondContact OG-CD2 3.12Å
69S91.1Very high91.9Very high3 Ų38.5 Ų8.52%0.0214%0.044CC..  trans-79158170.3-61.20000111.3C175 N176 F878S69-C175 VanDerWaalsContact CB-SG 3.53Å; S69-N176 PolarHBondContact O-ND2 3.22Å; S69-F878 PolarHBondContact OG-N 3.27Å; S69-F878 VanDerWaalsContact OG-N 3.17Å
70P92.6Very high92.2Very high17 Ų176.6 Ų6.611%0.114%0.037CC..  trans-51.3152.1178.7-26.433000113.6D105 D106 A173 C175 N176 P874P70-D105 HydrophobicContact CB-CB 4.19Å; P70-D105 HydrophobicContact CG-CB 4.1Å; P70-D106 WeakPolarHBondContact CA-OD1 3.14Å; P70-A173 HydrophobicContact CB-CB 4.07Å; P70-C175 WeakPolarHBondContact O-CB 3.43Å; P70-C175 PolarHBondContact O-SG 3Å; P70-N176 PolarHBondContact O-N 3.48Å; P70-N176 VanDerWaalsContact O-N 3.16Å; P70-P874 HydrophobicContact CG-CB 4.38Å; P70-P874 HydrophobicContact CG-CG 3.75Å
71K92.4Very high92.3Very high1 Ų17.8 Ų7.80%0.0045%0.054CC..EExtended strand (participates in β ladder)trans-138.3144-173.761.8-157.5167.8-750114.6M73 D106 Y107 N176 M178 Y248 L252K71-M73 HydrophobicContact CD-CE 4.28Å; K71-D106 HydrophobicContact CG-CB 4.22Å; K71-D106 WeakPolarHBondContact CG-OD1 3.31Å; K71-D106 PolarHBondContact N-OD1 2.96Å; K71-D106 VanDerWaalsContact NZ-CG 3.32Å; K71-D106 IonicContact NZ-OD1 2.67Å; K71-D106 PolarHBondContact NZ-OD1 2.89Å; K71-D106 IonicContact NZ-OD2 2.8Å; K71-D106 PolarHBondContact NZ-OD2 3.34Å; K71-D106 WeakPolarHBondContact O-CA 3.5Å; K71-Y107 PolarHBondContact O-N 2.89Å; K71-N176 CarbonylContact C-O 3.57Å; K71-N176 VanDerWaalsContact CA-O 3.28Å; K71-N176 WeakPolarHBondContact CA-O 3.3Å; K71-N176 HydrophobicContact CB-CB 3.79Å; K71-M178 HydrophobicContact CB-SD 4.36Å; K71-M178 HydrophobicContact CD-SD 3.94Å; K71-M178 HydrophobicContact CG-SD 4.45Å; K71-Y248 HydrophobicContact CD-CE2 4.07Å; K71-Y248 WeakPolarHBondContact CE-OH 3.3Å; K71-L252 HydrophobicContact CD-CD1 3.75Å
72D94Very high92.2Very high0 Ų08.3 Ų8.30%06%0.058CC..EExtended strand (participates in β ladder)trans-98.5105.5166.3-65.4-39.9000107.9L127 L164 A173 N174 N176 K177 M178D72-L127 HydrophobicContact CB-CD1 3.92Å; D72-L164 HydrophobicContact CB-CD2 4.14Å; D72-A173 WeakPolarHBondContact OD1-CB 3.37Å; D72-A173 PolarHBondContact OD1-N 2.81Å; D72-N174 WeakPolarHBondContact OD2-CA 3.48Å; D72-N174 PolarHBondContact OD2-N 2.86Å; D72-N176 PolarHBondContact N-O 2.98Å; D72-K177 HydrophobicContact CB-CG 4.47Å; D72-M178 PolarHBondContact O-N 2.92Å
73M94.2Very high92.1Very high0 Ų08.1 Ų8.10%06%0.058CC..EExtended strand (participates in β ladder)trans-112.1130.9-173.5-177.1-172.8-75.100111.5K71 I75 M98 L102 Y107 V108 N109 M178 M180 Y248K71-M73 HydrophobicContact CD-CE 4.28Å; M73-I75 HydrophobicContact CG-CG1 4.07Å; M73-I75 HydrophobicContact SD-CD1 3.93Å; M73-I75 HydrophobicContact SD-CG1 3.8Å; M73-M98 HydrophobicContact CE-SD 4.49Å; M73-M98 HydrophobicContact SD-CG 4.31Å; M73-L102 HydrophobicContact CE-CD2 3.75Å; M73-L102 HydrophobicContact SD-CD1 4.45Å; M73-L102 HydrophobicContact SD-CD2 4Å; M73-Y107 PolarHBondContact N-O 2.91Å; M73-V108 VanDerWaalsContact O-CA 3.25Å; M73-V108 WeakPolarHBondContact O-CA 3.37Å; M73-N109 PolarHBondContact O-N 3.38Å; M73-M178 WeakPolarHBondContact CA-O 3.32Å; M73-M178 HydrophobicContact CB-CG 4.04Å; M73-M178 HydrophobicContact CE-CE 3.59Å; M73-M178 HydrophobicContact CE-SD 3.76Å; M73-M178 HydrophobicContact CG-CG 4.11Å; M73-M178 HydrophobicContact CG-SD 4.5Å; M73-M180 HydrophobicContact CE-CE 3.67Å; M73-M180 HydrophobicContact CE-SD 3.55Å; M73-M180 VanDerWaalsContact CE-SD 3.55Å; M73-M180 HydrophobicContact CG-SD 4.39Å; M73-M180 HydrophobicContact SD-CG 4.48Å; M73-M180 HydrophobicContact SD-SD 3.61Å; M73-M180 VanDerWaalsContact SD-SD 3.61Å; M73-Y248 HydrophobicContact CE-CE2 4.1Å
74V95.7Very high91.9Very high0 Ų011.8 Ų11.80%08%0.084CC..EExtended strand (participates in β ladder)trans-112.1121.8165.5-179.20000109.4I76 N109 L127 A160 Q163 L164 M178 I179 M180V74-I76 HydrophobicContact CG1-CG2 4.05Å; V74-N109 WeakPolarHBondContact CA-O 3.11Å; V74-L127 HydrophobicContact CG2-CD2 3.76Å; V74-A160 HydrophobicContact CB-CB 4.4Å; V74-A160 HydrophobicContact CG1-CB 3.93Å; V74-Q163 HydrophobicContact CG2-CB 4.08Å; V74-L164 HydrophobicContact CG2-CD1 4.27Å; V74-L164 HydrophobicContact CG2-CD2 3.9Å; V74-L164 HydrophobicContact CG2-CG 3.72Å; V74-M178 PolarHBondContact N-O 2.75Å; V74-I179 WeakPolarHBondContact O-CA 3.3Å; V74-M180 PolarHBondContact O-N 2.86Å
75I96.5Very high91.8Very high0 Ų013.9 Ų13.90%011%0.108CC..EExtended strand (participates in β ladder)trans-97.8119.2175.7-57.4176.3000108.1M73 V77 V95 M98 L99 V108 N109 V110 A111 M180 F182M73-I75 HydrophobicContact CG-CG1 4.07Å; M73-I75 HydrophobicContact SD-CD1 3.93Å; M73-I75 HydrophobicContact SD-CG1 3.8Å; I75-V77 HydrophobicContact CG2-CG2 4.05Å; I75-V95 HydrophobicContact CD1-CG1 4.4Å; I75-V95 HydrophobicContact CG2-CG1 4.26Å; I75-V95 HydrophobicContact CG2-CG2 4.06Å; I75-M98 HydrophobicContact CD1-CG 4.14Å; I75-L99 HydrophobicContact CD1-CD2 4.25Å; I75-V108 HydrophobicContact CD1-CG2 4.22Å; I75-V108 HydrophobicContact CG1-CG2 4.41Å; I75-N109 PolarHBondContact N-O 3.3Å; I75-V110 HydrophobicContact CB-CG1 4.32Å; I75-V110 HydrophobicContact CB-CG2 4.32Å; I75-V110 HydrophobicContact CD1-CG2 4.37Å; I75-V110 HydrophobicContact CG2-CG1 4.38Å; I75-V110 CarbonylContact O-C 3.57Å; I75-V110 WeakPolarHBondContact O-CA 3.24Å; I75-A111 PolarHBondContact O-N 2.66Å; I75-M180 WeakPolarHBondContact CA-O 3.42Å; I75-M180 HydrophobicContact CG1-CB 4.49Å; I75-F182 HydrophobicContact CG2-CD2 3.86Å; I75-F182 HydrophobicContact CG2-CE2 3.76Å
76I95.8Very high91.6Very high1 Ų117.9 Ų17.91%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-109.3127.8173.663.4178.5000109.8V74 A111 F113 F157 A160 I179 M180 M181 F182V74-I76 HydrophobicContact CG1-CG2 4.05Å; I76-A111 WeakPolarHBondContact CA-O 3.5Å; I76-A111 HydrophobicContact CG2-CB 4.35Å; I76-F113 HydrophobicContact CB-CD1 4.01Å; I76-F113 HydrophobicContact CB-CE1 4.1Å; I76-F113 HydrophobicContact CD1-CE1 4.39Å; I76-F113 HydrophobicContact CG1-CE1 4.17Å; I76-F157 HydrophobicContact CD1-CD1 4.01Å; I76-F157 HydrophobicContact CD1-CE1 3.85Å; I76-F157 HydrophobicContact CD1-CG 4.45Å; I76-F157 HydrophobicContact CD1-CZ 4.18Å; I76-A160 HydrophobicContact CG2-CB 3.99Å; I76-I179 HydrophobicContact CD1-CG2 4.01Å; I76-I179 HydrophobicContact CG1-CG2 4.22Å; I76-M180 PolarHBondContact N-O 2.87Å; I76-M181 HydrophobicContact CD1-CB 4Å; I76-M181 HydrophobicContact CD1-CG 4Å; I76-M181 HydrophobicContact CG1-CB 3.77Å; I76-M181 HydrophobicContact CG1-CG 3.93Å; I76-M181 WeakPolarHBondContact O-CA 3.31Å; I76-F182 PolarHBondContact O-N 3.5Å
77V95.8Very high91.7Very high0 Ų018.6 Ų18.60%013%0.133CC..EExtended strand (participates in β ladder)trans-117.5125-176-171.30000109.6I75 V79 M91 V95 V110 A111 K112 F113 M145I75-V77 HydrophobicContact CG2-CG2 4.05Å; V77-V79 PolarHBondContact O-N 2.98Å; V77-M91 HydrophobicContact CG1-CB 4.43Å; V77-V95 HydrophobicContact CG2-CG2 3.71Å; V77-V110 HydrophobicContact CG2-CG1 4.43Å; V77-A111 PolarHBondContact N-O 3.43Å; V77-K112 WeakPolarHBondContact O-CA 3.25Å; V77-F113 VanDerWaalsContact C-CE1 3.44Å; V77-F113 WeakPolarHBondContact O-CD1 3.32Å; V77-F113 PolarHBondContact O-N 3.34Å; V77-M145 HydrophobicContact CB-CE 4.48Å; V77-M145 HydrophobicContact CG1-CE 4.19Å; V77-M145 HydrophobicContact CG2-CE 4.44Å
78D94.5Very high91.7Very high0 Ų019.1 Ų19.10%014%0.136CC..EExtended strand (participates in β ladder)trans-68.9121.6172.7-167.3-19.7000109.6S80 V83 F113 T151 F182 T183D78-S80 WeakPolarHBondContact OD1-CB 3.23Å; D78-S80 PolarHBondContact OD1-N 2.95Å; D78-S80 PolarHBondContact OD1-OG 2.94Å; D78-V83 HydrophobicContact CB-CG1 4.38Å; D78-V83 WeakPolarHBondContact O-CG2 3.46Å; D78-F113 HydrophobicContact CB-CE1 4.11Å; D78-F113 HydrophobicContact CB-CE2 4.12Å; D78-F113 HydrophobicContact CB-CZ 3.6Å; D78-T151 WeakPolarHBondContact OD2-CG2 3.41Å; D78-F182 VanDerWaalsContact CB-O 3.28Å; D78-F182 WeakPolarHBondContact CB-O 3.27Å; D78-F182 PolarHBondContact N-O 2.93Å; D78-T183 PolarHBondContact OD2-OG1 2.75Å
79V94.2Very high91.8Very high4 Ų425.3 Ų25.32%0.02416%0.162CC..  trans-119.927.8175.5-63.30000111.6V77 L88 K112 F113 N114 M145 A147 K148V77-V79 PolarHBondContact O-N 2.98Å; V79-L88 HydrophobicContact CG1-CD1 4.44Å; V79-K112 HydrophobicContact CG1-CB 3.95Å; V79-K112 HydrophobicContact CG2-CB 3.95Å; V79-K112 HydrophobicContact CG2-CG 4.43Å; V79-F113 VanDerWaalsContact CG2-O 3.31Å; V79-F113 WeakPolarHBondContact CG2-O 3.47Å; V79-F113 PolarHBondContact N-O 2.8Å; V79-N114 HydrophobicContact CG2-CB 4.19Å; V79-M145 HydrophobicContact CG1-SD 4.27Å; V79-A147 CarbonylContact O-C 3.46Å; V79-A147 VanDerWaalsContact O-CA 3.24Å; V79-A147 WeakPolarHBondContact O-CA 3.29Å; V79-K148 PolarHBondContact O-N 2.99Å; V79-K148 VanDerWaalsContact O-O 3.1Å
80S91.9Very high91.9Very high1 Ų125.4 Ų25.41%0.00716%0.162CC..SBendtrans-64.6168.9172.463.10000113D78 S82 V83 A147 T151D78-S80 WeakPolarHBondContact OD1-CB 3.23Å; D78-S80 PolarHBondContact OD1-N 2.95Å; D78-S80 PolarHBondContact OD1-OG 2.94Å; S80-S82 PolarHBondContact O-N 3Å; S80-S82 PolarHBondContact OG-OG 3.28Å; S80-S82 VanDerWaalsContact OG-OG 3.06Å; S80-V83 WeakPolarHBondContact O-CG2 3.44Å; S80-A147 WeakPolarHBondContact O-CB 3.27Å; S80-T151 WeakPolarHBondContact CB-OG1 2.98Å; S80-T151 PolarHBondContact OG-OG1 3.1Å; S80-T151 VanDerWaalsContact OG-OG1 3.07Å
81G88.6Confident91.9Very high41 Ų4124.6 Ų24.642%0.42316%0.157SC..SBendtrans-61.6-26.6179.300000114.7S84 G149G81-S84 WeakPolarHBondContact O-CB 3.48Å; G81-S84 PolarHBondContact O-N 3.28Å; G81-G149 PolarHBondContact N-O 3.27Å
82S86.3Confident91.9Very high43 Ų4326.5 Ų26.530%0.30117%0.165SC..THydrogen-bonded Turntrans-67.8-35.9-176.357.50000112.7S80 S84 D184S80-S82 PolarHBondContact O-N 3Å; S80-S82 PolarHBondContact OG-OG 3.28Å; S80-S82 VanDerWaalsContact OG-OG 3.06Å; S82-S84 PolarHBondContact O-N 3Å; S82-D184 VanDerWaalsContact CB-OD2 3.27Å; S82-D184 WeakPolarHBondContact CB-OD2 3.34Å; S82-D184 PolarHBondContact OG-OD1 2.78Å; S82-D184 PolarHBondContact OG-OD2 2.88Å; S82-D184 VanDerWaalsContact OG-OD2 3.13Å
83V89.7Confident91.8Very high0 Ų028.6 Ų28.60%018%0.178CC..THydrogen-bonded Turntrans-76.8-3.3-177.3-59.30000113.5D78 S80 T87 L88 M91 A147 D184D78-V83 HydrophobicContact CB-CG1 4.38Å; D78-V83 WeakPolarHBondContact O-CG2 3.46Å; S80-V83 WeakPolarHBondContact O-CG2 3.44Å; V83-T87 HydrophobicContact CB-CG2 4.22Å; V83-T87 HydrophobicContact CG1-CG2 4.32Å; V83-L88 HydrophobicContact CG2-CB 4.5Å; V83-L88 HydrophobicContact CG2-CD1 4.41Å; V83-L88 WeakPolarHBondContact O-CA 3.28Å; V83-L88 WeakPolarHBondContact O-CB 3.09Å; V83-L88 PolarHBondContact O-N 2.74Å; V83-M91 HydrophobicContact CB-CE 4.27Å; V83-M91 HydrophobicContact CB-SD 4.14Å; V83-M91 HydrophobicContact CG1-CE 3.6Å; V83-M91 HydrophobicContact CG1-SD 3.98Å; V83-A147 HydrophobicContact CG2-CB 3.99Å; V83-D184 HydrophobicContact CG1-CB 3.97Å; V83-D184 WeakPolarHBondContact CG1-OD1 3.46Å
84S88.6Confident91.7Very high81 Ų8128.6 Ų28.657%0.56618%0.178SC*.THydrogen-bonded Turntrans-57.6139.1-177.3-171.10000112.5G81 S82G81-S84 WeakPolarHBondContact O-CB 3.48Å; G81-S84 PolarHBondContact O-N 3.28Å; S82-S84 PolarHBondContact O-N 3Å
85G88.1Confident91.7Very high53 Ų5328.6 Ų28.655%0.54618%0.178SC..THydrogen-bonded Turntrans97.6-129.7179.700000113.9T87 K89G85-T87 PolarHBondContact O-N 2.96Å; G85-K89 PolarHBondContact O-N 2.76Å
86L86.8Confident91.5Very high118 Ų11830.3 Ų30.362%0.61819%0.187SC*.Hα-helixtrans-64.7-39.2-173.918062.3000112K89 L90L86-K89 WeakPolarHBondContact O-CB 3.4Å; L86-K89 PolarHBondContact O-N 2.91Å; L86-L90 HydrophobicContact CD1-CG 4.35Å; L86-L90 HydrophobicContact CG-CD1 4.15Å; L86-L90 HydrophobicContact CG-CG 4.36Å; L86-L90 WeakPolarHBondContact O-CG 3.04Å; L86-L90 PolarHBondContact O-N 2.04Å
87T89.6Confident91.2Very high18 Ų1831.8 Ų31.811%0.1119%0.194CC..Hα-helixtrans-62.5-49.1-177.2-58.30000112V83 G85 K89 L90 M91 D184 V211V83-T87 HydrophobicContact CB-CG2 4.22Å; V83-T87 HydrophobicContact CG1-CG2 4.32Å; G85-T87 PolarHBondContact O-N 2.96Å; T87-K89 VanDerWaalsContact C-N 3.27Å; T87-K89 PolarHBondContact O-N 3.49Å; T87-L90 WeakPolarHBondContact O-CB 3.39Å; T87-L90 PolarHBondContact O-N 3Å; T87-L90 VanDerWaalsContact O-N 3.11Å; T87-M91 HydrophobicContact CG2-CE 3.61Å; T87-M91 HydrophobicContact CG2-SD 4.32Å; T87-M91 WeakPolarHBondContact O-CG 3.21Å; T87-M91 PolarHBondContact O-N 3.1Å; T87-D184 HydrophobicContact CG2-CB 3.76Å; T87-V211 WeakPolarHBondContact CG2-O 3.46Å
88L91.4Very high91Very high14 Ų1431.8 Ų31.87%0.07319%0.194CC..Hα-helixtrans-59.9-37.9173.8-179.367.6000111.7V79 V83 M91 K92 A147V79-L88 HydrophobicContact CG1-CD1 4.44Å; V83-L88 HydrophobicContact CG2-CB 4.5Å; V83-L88 HydrophobicContact CG2-CD1 4.41Å; V83-L88 WeakPolarHBondContact O-CA 3.28Å; V83-L88 WeakPolarHBondContact O-CB 3.09Å; V83-L88 PolarHBondContact O-N 2.74Å; L88-M91 PolarHBondContact O-N 3.08Å; L88-K92 HydrophobicContact CG-CD 4.37Å; L88-K92 WeakPolarHBondContact O-CB 3.19Å; L88-K92 VanDerWaalsContact O-CG 3.27Å; L88-K92 WeakPolarHBondContact O-CG 3.07Å; L88-K92 PolarHBondContact O-N 3.12Å; L88-A147 HydrophobicContact CD2-CB 3.88Å
89K90.6Very high90.9Very high137 Ų13731.8 Ų31.860%0.59619%0.194SC*.Hα-helixtrans-62.3-44.8175.4-175.7176.8-179.8176.60111.2G85 L86 T87 K92 T93G85-K89 PolarHBondContact O-N 2.76Å; L86-K89 WeakPolarHBondContact O-CB 3.4Å; L86-K89 PolarHBondContact O-N 2.91Å; T87-K89 VanDerWaalsContact C-N 3.27Å; T87-K89 PolarHBondContact O-N 3.49Å; K89-K92 PolarHBondContact O-N 2.98Å; K89-T93 PolarHBondContact O-N 3.28Å; K89-T93 VanDerWaalsContact O-N 3.09Å; K89-T93 PolarHBondContact O-OG1 3.16Å; K89-T93 VanDerWaalsContact O-OG1 3.13Å
90L91.6Very high90.6Very high4 Ų433.5 Ų33.52%0.02120%0.203CC..Hα-helixtrans-64.3-40.4176-69.2173.7000111.8L86 T87 T93 S94 V211 I238 I241L86-L90 HydrophobicContact CD1-CG 4.35Å; L86-L90 HydrophobicContact CG-CD1 4.15Å; L86-L90 HydrophobicContact CG-CG 4.36Å; L86-L90 WeakPolarHBondContact O-CG 3.04Å; L86-L90 PolarHBondContact O-N 2.04Å; T87-L90 WeakPolarHBondContact O-CB 3.39Å; T87-L90 PolarHBondContact O-N 3Å; T87-L90 VanDerWaalsContact O-N 3.11Å; L90-T93 PolarHBondContact O-N 3Å; L90-S94 WeakPolarHBondContact O-CB 3.35Å; L90-S94 PolarHBondContact O-N 2.88Å; L90-S94 PolarHBondContact O-OG 2.99Å; L90-V211 HydrophobicContact CB-CG1 3.45Å; L90-V211 VanDerWaalsContact CB-CG1 3.45Å; L90-V211 HydrophobicContact CD1-CG1 4.4Å; L90-I238 HydrophobicContact CD2-CB 4.46Å; L90-I238 HydrophobicContact CD2-CG1 3.49Å; L90-I238 VanDerWaalsContact CD2-CG1 3.49Å; L90-I241 HydrophobicContact CD2-CD1 4.18Å
91M92.8Very high90.5Very high0 Ų033.6 Ų33.60%020%0.204CC..Hα-helixtrans-61.8-48.7176.1-71.2175176.100111.5V77 V83 T87 L88 T93 S94 V95 F182 T183 D184 V211V77-M91 HydrophobicContact CG1-CB 4.43Å; V83-M91 HydrophobicContact CB-CE 4.27Å; V83-M91 HydrophobicContact CB-SD 4.14Å; V83-M91 HydrophobicContact CG1-CE 3.6Å; V83-M91 HydrophobicContact CG1-SD 3.98Å; T87-M91 HydrophobicContact CG2-CE 3.61Å; T87-M91 HydrophobicContact CG2-SD 4.32Å; T87-M91 WeakPolarHBondContact O-CG 3.21Å; T87-M91 PolarHBondContact O-N 3.1Å; L88-M91 PolarHBondContact O-N 3.08Å; M91-T93 VanDerWaalsContact C-N 3.35Å; M91-T93 PolarHBondContact O-N 2.87Å; M91-S94 PolarHBondContact O-N 3.1Å; M91-S94 VanDerWaalsContact O-N 3.09Å; M91-V95 WeakPolarHBondContact O-CG2 3.24Å; M91-V95 PolarHBondContact O-N 3.26Å; M91-F182 HydrophobicContact CG-CB 4.4Å; M91-T183 WeakPolarHBondContact CE-O 2.97Å; M91-D184 HydrophobicContact CE-CB 4.28Å; M91-V211 HydrophobicContact CE-CB 3.93Å; M91-V211 HydrophobicContact CE-CG2 4.41Å; M91-V211 HydrophobicContact CG-CB 3.8Å; M91-V211 HydrophobicContact CG-CG1 3.8Å; M91-V211 HydrophobicContact CG-CG2 3.97Å
92K92.8Very high90.6Very high42 Ų4231.9 Ų31.918%0.18319%0.185CC..Hα-helixtrans-55.3-49.8176-73.5174.3175.1-173.70111.5L88 K89 S94 V95 I96 V142 T143 M145L88-K92 HydrophobicContact CG-CD 4.37Å; L88-K92 WeakPolarHBondContact O-CB 3.19Å; L88-K92 VanDerWaalsContact O-CG 3.27Å; L88-K92 WeakPolarHBondContact O-CG 3.07Å; L88-K92 PolarHBondContact O-N 3.12Å; K89-K92 PolarHBondContact O-N 2.98Å; K92-S94 VanDerWaalsContact C-N 3.31Å; K92-S94 PolarHBondContact O-N 3.02Å; K92-V95 PolarHBondContact O-N 3.01Å; K92-I96 VanDerWaalsContact O-CG1 3.29Å; K92-I96 WeakPolarHBondContact O-CG1 3.34Å; K92-I96 PolarHBondContact O-N 2.69Å; K92-V142 HydrophobicContact CB-CG1 4.12Å; K92-V142 WeakPolarHBondContact CE-O 3.18Å; K92-V142 HydrophobicContact CG-CG1 4.24Å; K92-V142 WeakPolarHBondContact CG-O 3.43Å; K92-T143 WeakPolarHBondContact CE-O 3.21Å; K92-T143 PolarHBondContact NZ-O 2.93Å; K92-M145 WeakPolarHBondContact CE-O 2.95Å; K92-M145 HydrophobicContact CG-CE 4.23Å; K92-M145 PolarHBondContact NZ-O 3Å
93T92.4Very high90.8Very high43 Ų4331.4 Ų31.426%0.26418%0.181SC..Hα-helixtrans-62.3-39.3176.9-56.60000111.6K89 L90 M91 I96 E97 I241K89-T93 PolarHBondContact O-N 3.28Å; K89-T93 VanDerWaalsContact O-N 3.09Å; K89-T93 PolarHBondContact O-OG1 3.16Å; K89-T93 VanDerWaalsContact O-OG1 3.13Å; L90-T93 PolarHBondContact O-N 3Å; M91-T93 VanDerWaalsContact C-N 3.35Å; M91-T93 PolarHBondContact O-N 2.87Å; T93-I96 PolarHBondContact O-N 2.88Å; T93-E97 HydrophobicContact CG2-CG 4.34Å; T93-E97 VanDerWaalsContact O-CG 3.27Å; T93-E97 WeakPolarHBondContact O-CG 3.49Å; T93-E97 PolarHBondContact O-N 2.93Å; T93-I241 HydrophobicContact CG2-CD1 3.72Å
94S93Very high90.7Very high0 Ų031.6 Ų31.60%018%0.182CC..Hα-helixtrans-65.6-40.1179.2-56.90000112.6L90 M91 K92 E97 M98L90-S94 WeakPolarHBondContact O-CB 3.35Å; L90-S94 PolarHBondContact O-N 2.88Å; L90-S94 PolarHBondContact O-OG 2.99Å; M91-S94 PolarHBondContact O-N 3.1Å; M91-S94 VanDerWaalsContact O-N 3.09Å; K92-S94 VanDerWaalsContact C-N 3.31Å; K92-S94 PolarHBondContact O-N 3.02Å; S94-E97 PolarHBondContact O-N 3.37Å; S94-M98 VanDerWaalsContact O-CB 3.31Å; S94-M98 WeakPolarHBondContact O-CB 3.49Å; S94-M98 PolarHBondContact O-N 2.89Å
95V94.5Very high90.8Very high0 Ų029.1 Ų29.10%016%0.162CC..Hα-helixtrans-66-42.1175.3174.10000110.8I75 V77 M91 K92 E97 M98 L99 V110 V142 F182I75-V95 HydrophobicContact CD1-CG1 4.4Å; I75-V95 HydrophobicContact CG2-CG1 4.26Å; I75-V95 HydrophobicContact CG2-CG2 4.06Å; V77-V95 HydrophobicContact CG2-CG2 3.71Å; M91-V95 WeakPolarHBondContact O-CG2 3.24Å; M91-V95 PolarHBondContact O-N 3.26Å; K92-V95 PolarHBondContact O-N 3.01Å; V95-E97 PolarHBondContact O-N 3.09Å; V95-M98 WeakPolarHBondContact O-CB 3.4Å; V95-M98 PolarHBondContact O-N 3.19Å; V95-L99 HydrophobicContact CG1-CD1 4.39Å; V95-L99 WeakPolarHBondContact O-CG 3.44Å; V95-L99 PolarHBondContact O-N 2.88Å; V95-V110 HydrophobicContact CG1-CG1 4.28Å; V95-V142 HydrophobicContact CB-CG1 4.27Å; V95-V142 HydrophobicContact CG1-CG1 4.25Å; V95-V142 HydrophobicContact CG1-CG2 3.89Å; V95-F182 HydrophobicContact CG2-CD2 3.97Å; V95-F182 HydrophobicContact CG2-CE2 4.04Å; V95-F182 HydrophobicContact CG2-CG 4.33Å; V95-F182 HydrophobicContact CG2-CZ 4.45Å
96I92.4Very high91.1Very high37 Ų3726.6 Ų26.619%0.1914%0.137CC..Hα-helixtrans-60-47175.6-69.7166.6000110.8K92 T93 M98 L99 D100 K139 V142 T143K92-I96 VanDerWaalsContact O-CG1 3.29Å; K92-I96 WeakPolarHBondContact O-CG1 3.34Å; K92-I96 PolarHBondContact O-N 2.69Å; T93-I96 PolarHBondContact O-N 2.88Å; I96-M98 VanDerWaalsContact C-N 3.32Å; I96-M98 PolarHBondContact O-N 3.08Å; I96-L99 PolarHBondContact O-N 2.82Å; I96-D100 PolarHBondContact O-N 2.62Å; I96-K139 HydrophobicContact CB-CG 4.46Å; I96-K139 HydrophobicContact CG1-CB 4.34Å; I96-K139 HydrophobicContact CG1-CG 4.16Å; I96-K139 HydrophobicContact CG2-CD 4.17Å; I96-K139 HydrophobicContact CG2-CG 4.05Å; I96-V142 HydrophobicContact CD1-CG1 4.35Å; I96-V142 HydrophobicContact CG1-CG1 4.05Å; I96-T143 HydrophobicContact CD1-CG2 3.94Å
97E89.8Confident91.4Very high31 Ų3121.5 Ų21.515%0.14511%0.109CC..Hα-helixtrans-67.6-31.9177.9-67.1-72.9150.600112.2R59 T93 S94 V95 D100 I241 T245R59-E97 IonicContact CZ-OE2 3.25Å; R59-E97 IonicContact NH1-OE2 3.97Å; R59-E97 PolarHBondContact NH1-OE2 3.07Å; R59-E97 IonicContact NH2-OE2 3.55Å; R59-E97 PolarHBondContact NH2-OE2 3.48Å; T93-E97 HydrophobicContact CG2-CG 4.34Å; T93-E97 VanDerWaalsContact O-CG 3.27Å; T93-E97 WeakPolarHBondContact O-CG 3.49Å; T93-E97 PolarHBondContact O-N 2.93Å; S94-E97 PolarHBondContact O-N 3.37Å; V95-E97 PolarHBondContact O-N 3.09Å; E97-D100 WeakPolarHBondContact O-CB 3.03Å; E97-D100 PolarHBondContact O-N 2.77Å; E97-I241 HydrophobicContact CB-CG2 3.86Å; E97-I241 HydrophobicContact CG-CG2 3.82Å; E97-T245 HydrophobicContact CB-CG2 4.45Å
98M91.9Very high91.6Very high0 Ų020.7 Ų20.70%010%0.104CC..Hα-helixtrans-66.8-42.8174.1-172.962.471.700111.6M73 I75 S94 V95 I96 D100 T101 M180 F182 F209 T245 Y248M73-M98 HydrophobicContact CE-SD 4.49Å; M73-M98 HydrophobicContact SD-CG 4.31Å; I75-M98 HydrophobicContact CD1-CG 4.14Å; S94-M98 VanDerWaalsContact O-CB 3.31Å; S94-M98 WeakPolarHBondContact O-CB 3.49Å; S94-M98 PolarHBondContact O-N 2.89Å; V95-M98 WeakPolarHBondContact O-CB 3.4Å; V95-M98 PolarHBondContact O-N 3.19Å; I96-M98 VanDerWaalsContact C-N 3.32Å; I96-M98 PolarHBondContact O-N 3.08Å; M98-D100 PolarHBondContact O-N 2.99Å; M98-T101 WeakPolarHBondContact O-CB 3.34Å; M98-T101 PolarHBondContact O-N 3.28Å; M98-T101 PolarHBondContact O-OG1 3.19Å; M98-M180 HydrophobicContact CE-CE 3.64Å; M98-M180 HydrophobicContact CE-SD 3.63Å; M98-M180 HydrophobicContact CG-SD 3.79Å; M98-M180 HydrophobicContact SD-CE 3.62Å; M98-M180 HydrophobicContact SD-SD 3.61Å; M98-M180 VanDerWaalsContact SD-SD 3.61Å; M98-F182 HydrophobicContact CE-CZ 4.19Å; M98-F209 HydrophobicContact CE-CE1 4.13Å; M98-F209 HydrophobicContact CE-CE2 4.19Å; M98-F209 HydrophobicContact CE-CZ 3.57Å; M98-T245 HydrophobicContact CE-CG2 3.98Å; M98-T245 WeakPolarHBondContact CE-O 3.21Å; M98-T245 VanDerWaalsContact SD-O 3.38Å; M98-Y248 HydrophobicContact CE-CD1 4.26Å; M98-Y248 HydrophobicContact CE-CE1 4.4Å; M98-Y248 HydrophobicContact SD-CD1 3.94Å; M98-Y248 HydrophobicContact SD-CE1 3.5Å; M98-Y248 WeakPolarHBondContact SD-CE1 3.38Å
99L92.3Very high91.7Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-59.4-32.1175.6-70.5169000111.7I75 V95 I96 T101 L102 V108 V110 K135 F138 K139I75-L99 HydrophobicContact CD1-CD2 4.25Å; V95-L99 HydrophobicContact CG1-CD1 4.39Å; V95-L99 WeakPolarHBondContact O-CG 3.44Å; V95-L99 PolarHBondContact O-N 2.88Å; I96-L99 PolarHBondContact O-N 2.82Å; L99-T101 PolarHBondContact O-N 3.09Å; L99-L102 HydrophobicContact CD2-CD1 3.97Å; L99-L102 WeakPolarHBondContact O-CB 3.12Å; L99-L102 PolarHBondContact O-N 2.94Å; L99-V108 HydrophobicContact CD2-CG1 4.22Å; L99-V108 HydrophobicContact CD2-CG2 4.04Å; L99-V110 HydrophobicContact CD2-CG2 4.33Å; L99-K135 WeakPolarHBondContact O-CD 3.25Å; L99-F138 HydrophobicContact CD1-CB 3.7Å; L99-K139 HydrophobicContact CD1-CG 4.09Å
100D88.4Confident91.9Very high40 Ų4013.5 Ų13.521%0.2147%0.072CC..THydrogen-bonded Turntrans-66.1-19.8175.2-72.6-20.2000113.6R59 I96 E97 M98 L102 K139R59-D100 IonicContact NH2-OD2 3.54Å; I96-D100 PolarHBondContact O-N 2.62Å; E97-D100 WeakPolarHBondContact O-CB 3.03Å; E97-D100 PolarHBondContact O-N 2.77Å; M98-D100 PolarHBondContact O-N 2.99Å; D100-L102 VanDerWaalsContact C-N 3.3Å; D100-K139 WeakPolarHBondContact OD1-CE 3.19Å; D100-K139 IonicContact OD1-NZ 2.77Å; D100-K139 PolarHBondContact OD1-NZ 2.9Å
101T89.3Confident92.1Very high4 Ų413.4 Ų13.43%0.0257%0.072CC..THydrogen-bonded Turntrans-82.8-7.3176.273.70000113.5M98 L99 Y248M98-T101 WeakPolarHBondContact O-CB 3.34Å; M98-T101 PolarHBondContact O-N 3.28Å; M98-T101 PolarHBondContact O-OG1 3.19Å; L99-T101 PolarHBondContact O-N 3.09Å; T101-Y248 PolarHBondContact OG1-OH 3.01Å
102L91.4Very high92.1Very high5 Ų516.9 Ų16.93%0.0269%0.087CC..  trans-87.7134.7-179-58.1-179.9000111.4M73 L99 D100 D106 V108 A130 K135M73-L102 HydrophobicContact CE-CD2 3.75Å; M73-L102 HydrophobicContact SD-CD1 4.45Å; M73-L102 HydrophobicContact SD-CD2 4Å; L99-L102 HydrophobicContact CD2-CD1 3.97Å; L99-L102 WeakPolarHBondContact O-CB 3.12Å; L99-L102 PolarHBondContact O-N 2.94Å; D100-L102 VanDerWaalsContact C-N 3.3Å; L102-D106 WeakPolarHBondContact CA-OD2 3.32Å; L102-D106 HydrophobicContact CB-CB 4.34Å; L102-D106 HydrophobicContact CD2-CB 4.33Å; L102-V108 HydrophobicContact CD1-CB 3.64Å; L102-V108 HydrophobicContact CD1-CG1 3.83Å; L102-V108 HydrophobicContact CD1-CG2 3.78Å; L102-A130 HydrophobicContact CB-CB 3.63Å; L102-A130 HydrophobicContact CD1-CB 3.92Å; L102-A130 HydrophobicContact CG-CB 4.42Å; L102-K135 PolarHBondContact O-NZ 2.98Å
103S89.4Confident92.2Very high32 Ų3215 Ų1522%0.2248%0.079CC..  trans-92.2171173.870.20000111.5D105 D106S103-D105 PolarHBondContact O-N 3.32Å; S103-D106 PolarHBondContact N-OD2 2.98Å; S103-D106 WeakPolarHBondContact O-CB 3.47Å; S103-D106 PolarHBondContact O-N 2.9Å; S103-D106 VanDerWaalsContact O-N 3.09Å; S103-D106 PolarHBondContact OG-OD2 3.13Å
104D88.6Confident92.1Very high4 Ų415.1 Ų15.12%0.0218%0.078CC..THydrogen-bonded Turntrans-68-19.5179.5-56.3-78.9000113.5D106 Q129 N131 N270 Y345D104-D106 VanDerWaalsContact C-N 3.27Å; D104-Q129 WeakPolarHBondContact O-CG 3.37Å; D104-Q129 PolarHBondContact O-NE2 3.14Å; D104-N131 WeakPolarHBondContact OD1-CA 3.4Å; D104-N270 PolarHBondContact OD2-ND2 2.98Å; D104-Y345 HydrophobicContact CB-CE2 3.86Å
105D90.7Very high91.9Very high29 Ų2920.8 Ų20.816%0.15511%0.105CC..THydrogen-bonded Turntrans-78.8-13.6173.9-70.2-32.7000112.5P70 S103 N343P70-D105 HydrophobicContact CB-CB 4.19Å; P70-D105 HydrophobicContact CG-CB 4.1Å; S103-D105 PolarHBondContact O-N 3.32Å; D105-N343 PolarHBondContact OD1-ND2 3.3Å; D105-N343 PolarHBondContact OD1-OD1 2.97Å
106D92.8Very high91.7Very high1 Ų128 Ų281%0.00514%0.136CC..  trans-86.1155.1179.3-58-37.2000111.9P70 K71 L102 S103 D104 A130P70-D106 WeakPolarHBondContact CA-OD1 3.14Å; K71-D106 HydrophobicContact CG-CB 4.22Å; K71-D106 WeakPolarHBondContact CG-OD1 3.31Å; K71-D106 PolarHBondContact N-OD1 2.96Å; K71-D106 VanDerWaalsContact NZ-CG 3.32Å; K71-D106 IonicContact NZ-OD1 2.67Å; K71-D106 PolarHBondContact NZ-OD1 2.89Å; K71-D106 IonicContact NZ-OD2 2.8Å; K71-D106 PolarHBondContact NZ-OD2 3.34Å; K71-D106 WeakPolarHBondContact O-CA 3.5Å; L102-D106 WeakPolarHBondContact CA-OD2 3.32Å; L102-D106 HydrophobicContact CB-CB 4.34Å; L102-D106 HydrophobicContact CD2-CB 4.33Å; S103-D106 PolarHBondContact N-OD2 2.98Å; S103-D106 WeakPolarHBondContact O-CB 3.47Å; S103-D106 PolarHBondContact O-N 2.9Å; S103-D106 VanDerWaalsContact O-N 3.09Å; S103-D106 PolarHBondContact OG-OD2 3.13Å; D104-D106 VanDerWaalsContact C-N 3.27Å; D106-A130 HydrophobicContact CB-CB 4.3Å; D106-A130 PolarHBondContact O-N 2.87Å
107Y93.1Very high91.6Very high11 Ų1127.2 Ų27.24%0.04314%0.135CC..EExtended strand (participates in β ladder)trans-124.2140.1175.1-69.4-112.2000110.4K71 M73 V128 P171 R172 A173 R871K71-Y107 PolarHBondContact O-N 2.89Å; M73-Y107 PolarHBondContact N-O 2.91Å; Y107-V128 CarbonylContact C-O 3.56Å; Y107-V128 VanDerWaalsContact CA-O 3.25Å; Y107-V128 WeakPolarHBondContact CA-O 3.15Å; Y107-P171 WeakPolarHBondContact CD1-O 3.25Å; Y107-P171 HydrophobicContact CE1-CB 4.25Å; Y107-P171 HydrophobicContact CE1-CG 4.36Å; Y107-P171 WeakPolarHBondContact CE1-O 3.33Å; Y107-P171 WeakPolarHBondContact OH-CB 3.44Å; Y107-R172 PolarHBondContact OH-N 2.86Å; Y107-R172 PolarHBondContact OH-O 2.02Å; Y107-A173 HydrophobicContact CD2-CB 3.75Å; Y107-A173 HydrophobicContact CE2-CB 4.01Å; Y107-R871 VanDerWaalsContact CE2-NH1 3.34Å; Y107-R871 PolarHBondContact OH-NE 3.21Å; Y107-R871 PolarHBondContact OH-NH1 3.09Å; Y107-R871 PolarHBondContact OH-NH2 3.45Å
108V94.3Very high91.7Very high0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-140.3146.8-174.566.30000112.2M73 I75 L99 L102 V110 V128 A130 F138M73-V108 VanDerWaalsContact O-CA 3.25Å; M73-V108 WeakPolarHBondContact O-CA 3.37Å; I75-V108 HydrophobicContact CD1-CG2 4.22Å; I75-V108 HydrophobicContact CG1-CG2 4.41Å; L99-V108 HydrophobicContact CD2-CG1 4.22Å; L99-V108 HydrophobicContact CD2-CG2 4.04Å; L102-V108 HydrophobicContact CD1-CB 3.64Å; L102-V108 HydrophobicContact CD1-CG1 3.83Å; L102-V108 HydrophobicContact CD1-CG2 3.78Å; V108-V110 HydrophobicContact CG2-CG2 4.41Å; V108-V128 PolarHBondContact N-O 3.49Å; V108-V128 WeakPolarHBondContact O-CG2 3.28Å; V108-V128 PolarHBondContact O-N 2.87Å; V108-V128 VanDerWaalsContact O-N 3.1Å; V108-A130 HydrophobicContact CG1-CB 3.88Å; V108-F138 HydrophobicContact CG1-CD2 4.22Å; V108-F138 HydrophobicContact CG1-CE2 3.78Å
109N93.8Very high91.7Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-135.7148.1157.9-161.51.8000109.3M73 V74 I75 F124 L127 Q163M73-N109 PolarHBondContact O-N 3.38Å; V74-N109 WeakPolarHBondContact CA-O 3.11Å; I75-N109 PolarHBondContact N-O 3.3Å; N109-F124 PolarHBondContact ND2-O 3.36Å; N109-F124 VanDerWaalsContact ND2-O 3.09Å; N109-L127 HydrophobicContact CB-CD2 3.86Å; N109-Q163 PolarHBondContact ND2-OE1 2.8Å
110V95.2Very high91.5Very high0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans-118.1124.8-180-172.20000108.6I75 V77 V95 L99 V108 V120 F138 V142I75-V110 HydrophobicContact CB-CG1 4.32Å; I75-V110 HydrophobicContact CB-CG2 4.32Å; I75-V110 HydrophobicContact CD1-CG2 4.37Å; I75-V110 HydrophobicContact CG2-CG1 4.38Å; I75-V110 CarbonylContact O-C 3.57Å; I75-V110 WeakPolarHBondContact O-CA 3.24Å; V77-V110 HydrophobicContact CG2-CG1 4.43Å; V95-V110 HydrophobicContact CG1-CG1 4.28Å; L99-V110 HydrophobicContact CD2-CG2 4.33Å; V108-V110 HydrophobicContact CG2-CG2 4.41Å; V110-V120 HydrophobicContact CB-CG2 4.41Å; V110-V120 HydrophobicContact CG1-CG2 3.93Å; V110-V120 PolarHBondContact O-N 2.87Å; V110-F138 HydrophobicContact CB-CD1 3.92Å; V110-F138 HydrophobicContact CB-CE1 4.05Å; V110-F138 HydrophobicContact CG2-CD1 3.66Å; V110-F138 HydrophobicContact CG2-CE1 3.94Å; V110-F138 HydrophobicContact CG2-CG 4.08Å; V110-V142 HydrophobicContact CG1-CG2 4.16Å
111A94.4Very high91.4Very high2 Ų231.2 Ų31.22%0.01716%0.158CC..EExtended strand (participates in β ladder)trans-121.4148.4177.800000110.9I75 I76 V77 E118 F159I75-A111 PolarHBondContact O-N 2.66Å; I76-A111 WeakPolarHBondContact CA-O 3.5Å; I76-A111 HydrophobicContact CG2-CB 4.35Å; V77-A111 PolarHBondContact N-O 3.43Å; A111-E118 CarbonylContact C-O 3.6Å; A111-E118 VanDerWaalsContact CA-O 3.3Å; A111-E118 WeakPolarHBondContact CA-O 3.45Å; A111-E118 WeakPolarHBondContact CB-O 3.41Å; A111-F159 HydrophobicContact CB-CD1 3.74Å; A111-F159 HydrophobicContact CB-CE1 3.48Å; A111-F159 VanDerWaalsContact CB-CE1 3.48Å; A111-F159 HydrophobicContact CB-CZ 4.33Å
112K94.1Very high91Very high73 Ų7336.6 Ų36.632%0.31719%0.193SC..EExtended strand (participates in β ladder)trans-109.7143.417163.4-177.5-179.1-176.30108.2V77 V79 A117 E118 V120 M145V77-K112 WeakPolarHBondContact O-CA 3.25Å; V79-K112 HydrophobicContact CG1-CB 3.95Å; V79-K112 HydrophobicContact CG2-CB 3.95Å; V79-K112 HydrophobicContact CG2-CG 4.43Å; K112-A117 WeakPolarHBondContact O-CA 3.44Å; K112-E118 PolarHBondContact N-O 2.89Å; K112-E118 PolarHBondContact O-N 3.48Å; K112-V120 HydrophobicContact CB-CG2 4.06Å; K112-V120 HydrophobicContact CG-CG2 4.24Å; K112-M145 HydrophobicContact CB-SD 4.05Å
113F94.2Very high90.6Very high2 Ų238.3 Ų38.31%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-135.3143.4175.971.7-87.3000111.8I76 V77 D78 V79 K116 A117 T151 D152 Y153 M181I76-F113 HydrophobicContact CB-CD1 4.01Å; I76-F113 HydrophobicContact CB-CE1 4.1Å; I76-F113 HydrophobicContact CD1-CE1 4.39Å; I76-F113 HydrophobicContact CG1-CE1 4.17Å; V77-F113 VanDerWaalsContact C-CE1 3.44Å; V77-F113 WeakPolarHBondContact O-CD1 3.32Å; V77-F113 PolarHBondContact O-N 3.34Å; D78-F113 HydrophobicContact CB-CE1 4.11Å; D78-F113 HydrophobicContact CB-CE2 4.12Å; D78-F113 HydrophobicContact CB-CZ 3.6Å; V79-F113 VanDerWaalsContact CG2-O 3.31Å; V79-F113 WeakPolarHBondContact CG2-O 3.47Å; V79-F113 PolarHBondContact N-O 2.8Å; F113-K116 WeakPolarHBondContact CA-O 3.27Å; F113-A117 HydrophobicContact CB-CB 4.02Å; F113-T151 HydrophobicContact CE2-CG2 4.01Å; F113-D152 WeakPolarHBondContact CD2-O 3.39Å; F113-Y153 AromaticContact CE2-CD1 3.75Å; F113-Y153 HydrophobicContact CE2-CD1 3.75Å; F113-Y153 HydrophobicContact CE2-CE1 4.07Å; F113-Y153 HydrophobicContact CZ-CD1 4.13Å; F113-Y153 HydrophobicContact CZ-CE1 4.23Å; F113-M181 HydrophobicContact CZ-CE 3.78Å
114N91Very high90.3Very high47 Ų4736.9 Ų36.925%0.25120%0.195SC..SBendtrans-136.5-100.8167.254.65.4000108V79 K116 K148 T150 D152V79-N114 HydrophobicContact CG2-CB 4.19Å; N114-K116 PolarHBondContact N-O 2.9Å; N114-K116 PolarHBondContact OD1-N 2.84Å; N114-K116 PolarHBondContact OD1-O 3.13Å; N114-K148 WeakPolarHBondContact CB-O 3.25Å; N114-K148 PolarHBondContact ND2-O 2.79Å; N114-T150 CarbonylContact C-O 2.9Å; N114-T150 WeakPolarHBondContact CA-O 3.48Å; N114-T150 WeakPolarHBondContact CB-O 3.32Å; N114-D152 WeakPolarHBondContact O-CB 3.26Å; N114-D152 PolarHBondContact O-N 2.95Å
115E88.4Confident89.9Confident119 Ų11946.6 Ų46.656%0.55623%0.231SC*.SBendtrans-79.4-23.9168.8-69.4173.5-16500112.1T150E115-T150 VanDerWaalsContact CG-OG1 3.26Å; E115-T150 WeakPolarHBondContact CG-OG1 3.29Å; E115-T150 PolarHBondContact N-O 2.95Å; E115-T150 PolarHBondContact OE1-OG1 3.09Å
116K89.9Confident89.7Confident150 Ų15047.3 Ų47.365%0.65224%0.236SC*.SBendtrans-137.1154.4174.8-66-176.7-178.4177.70109.7F113 N114F113-K116 WeakPolarHBondContact CA-O 3.27Å; N114-K116 PolarHBondContact N-O 2.9Å; N114-K116 PolarHBondContact OD1-N 2.84Å; N114-K116 PolarHBondContact OD1-O 3.13Å
117A91.8Very high89.5Confident22 Ų2247.5 Ų47.518%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-100.5128.9175.800000110.6K112 F113 F159K112-A117 WeakPolarHBondContact O-CA 3.44Å; F113-A117 HydrophobicContact CB-CB 4.02Å; A117-F159 HydrophobicContact CB-CB 3.56Å; A117-F159 HydrophobicContact CB-CD2 4.39Å; A117-F159 HydrophobicContact CB-CG 3.98Å
118E91.7Very high89.3Confident109 Ų10947.7 Ų47.751%0.50924%0.24SC..EExtended strand (participates in β ladder)trans-137.2145.9179.9-65179.3176.800110.3A111 K112A111-E118 CarbonylContact C-O 3.6Å; A111-E118 VanDerWaalsContact CA-O 3.3Å; A111-E118 WeakPolarHBondContact CA-O 3.45Å; A111-E118 WeakPolarHBondContact CB-O 3.41Å; K112-E118 PolarHBondContact N-O 2.89Å; K112-E118 PolarHBondContact O-N 3.48Å
119A90.3Very high89.1Confident22 Ų2249.1 Ų49.118%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-63.4138.2170.800000110.1V121 F159A119-V121 VanDerWaalsContact C-N 3.27Å; A119-V121 PolarHBondContact O-N 3.44Å; A119-F159 HydrophobicContact CB-CZ 4.19Å
120V88.4Confident89Confident16 Ų1649.1 Ų49.110%0.09725%0.247CC..SBendtrans-66.8-34.2179.41750000110.9V110 K112 A141 M145V110-V120 HydrophobicContact CB-CG2 4.41Å; V110-V120 HydrophobicContact CG1-CG2 3.93Å; V110-V120 PolarHBondContact O-N 2.87Å; K112-V120 HydrophobicContact CB-CG2 4.06Å; K112-V120 HydrophobicContact CG-CG2 4.24Å; V120-A141 HydrophobicContact CG1-CB 3.56Å; V120-M145 HydrophobicContact CG1-CG 4.39Å; V120-M145 HydrophobicContact CG1-SD 4.45Å; V120-M145 HydrophobicContact CG2-SD 3.81Å
121V86.2Confident88.7Confident8 Ų850.6 Ų50.65%0.04825%0.254CS..SBendtrans-105.8110.2174.6-178.40000108.4A119 C123 F124 I137 F138 A141A119-V121 VanDerWaalsContact C-N 3.27Å; A119-V121 PolarHBondContact O-N 3.44Å; V121-C123 PolarHBondContact O-N 3.35Å; V121-C123 VanDerWaalsContact O-N 3.12Å; V121-F124 HydrophobicContact CB-CB 4.27Å; V121-F124 HydrophobicContact CB-CD2 3.65Å; V121-F124 HydrophobicContact CB-CE2 4.26Å; V121-F124 HydrophobicContact CB-CG 4.07Å; V121-F124 HydrophobicContact CG1-CB 4.4Å; V121-F124 HydrophobicContact CG1-CD1 4.29Å; V121-F124 HydrophobicContact CG1-CD2 3.64Å; V121-F124 HydrophobicContact CG1-CE1 4.5Å; V121-F124 HydrophobicContact CG1-CE2 3.94Å; V121-F124 HydrophobicContact CG1-CG 3.85Å; V121-F124 HydrophobicContact CG1-CZ 4.37Å; V121-F124 HydrophobicContact CG2-CD2 4.04Å; V121-F124 HydrophobicContact CG2-CE2 4.31Å; V121-F124 PolarHBondContact O-N 3.46Å; V121-F124 VanDerWaalsContact O-N 3.07Å; V121-I137 HydrophobicContact CG1-CG2 4.27Å; V121-I137 HydrophobicContact CG2-CG2 4.11Å; V121-F138 HydrophobicContact CG2-CD1 3.85Å; V121-F138 HydrophobicContact CG2-CE1 4.07Å; V121-A141 HydrophobicContact CG2-CB 3.75Å
122P82.1Confident88.2Confident116 Ų11652.3 Ų52.375%0.75327%0.265SS*.THydrogen-bonded Turntrans-59.7-28.1-172.1-27.835.4000115.3
123C81.2Confident87.6Confident41 Ų4152 Ų5228%0.27726%0.262SS..THydrogen-bonded Turntrans-83-16.3179.355.50000114.5V121 R125 C862V121-C123 PolarHBondContact O-N 3.35Å; V121-C123 VanDerWaalsContact O-N 3.12Å; C123-R125 VanDerWaalsContact C-N 3.27Å; C123-R125 PolarHBondContact O-N 2.9Å; C123-C862 HydrophobicContact CB-CB 3.34Å; C123-C862 WeakPolarHBondContact CB-SG 3.42Å; C123-C862 VanDerWaalsContact SG-CA 3.54Å; C123-C862 WeakPolarHBondContact SG-CB 3.44Å; C123-C862 CovalentContact SG-SG 2.04Å; C123-C862 PolarHBondContact SG-SG 2.99Å
124F84.9Confident87.2Confident3 Ų352.5 Ų52.51%0.01326%0.264CS..  trans-84.574.5175.5-63.7-15.9000110.4N109 V121 T126 V128 I137 F138 I865N109-F124 PolarHBondContact ND2-O 3.36Å; N109-F124 VanDerWaalsContact ND2-O 3.09Å; V121-F124 HydrophobicContact CB-CB 4.27Å; V121-F124 HydrophobicContact CB-CD2 3.65Å; V121-F124 HydrophobicContact CB-CE2 4.26Å; V121-F124 HydrophobicContact CB-CG 4.07Å; V121-F124 HydrophobicContact CG1-CB 4.4Å; V121-F124 HydrophobicContact CG1-CD1 4.29Å; V121-F124 HydrophobicContact CG1-CD2 3.64Å; V121-F124 HydrophobicContact CG1-CE1 4.5Å; V121-F124 HydrophobicContact CG1-CE2 3.94Å; V121-F124 HydrophobicContact CG1-CG 3.85Å; V121-F124 HydrophobicContact CG1-CZ 4.37Å; V121-F124 HydrophobicContact CG2-CD2 4.04Å; V121-F124 HydrophobicContact CG2-CE2 4.31Å; V121-F124 PolarHBondContact O-N 3.46Å; V121-F124 VanDerWaalsContact O-N 3.07Å; F124-T126 PolarHBondContact O-N 3.49Å; F124-V128 HydrophobicContact CB-CG1 4.25Å; F124-V128 HydrophobicContact CD1-CG1 3.78Å; F124-V128 HydrophobicContact CD2-CG1 4.41Å; F124-V128 HydrophobicContact CD2-CG2 3.98Å; F124-V128 HydrophobicContact CE1-CG1 4.21Å; F124-V128 HydrophobicContact CE2-CG2 4.07Å; F124-V128 HydrophobicContact CG-CG1 3.89Å; F124-V128 HydrophobicContact CG-CG2 4.29Å; F124-V128 HydrophobicContact CZ-CG2 4.48Å; F124-I137 HydrophobicContact CE2-CG2 4.1Å; F124-I137 HydrophobicContact CZ-CD1 4.35Å; F124-I137 HydrophobicContact CZ-CG2 4.29Å; F124-F138 HydrophobicContact CD2-CD1 4.39Å; F124-F138 AromaticContact CD2-CE1 3.59Å; F124-F138 HydrophobicContact CD2-CE1 3.59Å; F124-F138 AromaticContact CD2-CE2 3.95Å; F124-F138 HydrophobicContact CD2-CE2 3.95Å; F124-F138 AromaticContact CD2-CZ 3.33Å; F124-F138 HydrophobicContact CD2-CZ 3.33Å; F124-F138 HydrophobicContact CE2-CD2 4.44Å; F124-F138 HydrophobicContact CE2-CE1 4.17Å; F124-F138 AromaticContact CE2-CE2 3.95Å; F124-F138 HydrophobicContact CE2-CE2 3.95Å; F124-F138 AromaticContact CE2-CZ 3.82Å; F124-F138 HydrophobicContact CE2-CZ 3.82Å; F124-F138 HydrophobicContact CG-CZ 4.36Å; F124-I865 HydrophobicContact CE1-CD1 3.42Å; F124-I865 VanDerWaalsContact CE1-CD1 3.42Å; F124-I865 HydrophobicContact CE1-CG2 4.38Å; F124-I865 HydrophobicContact CZ-CD1 3.78Å
125R78.8Confident87.1Confident207 Ų20750.7 Ų50.778%0.78125%0.254SS*.  trans-69.2-23.9178.8-64.1-174.1-179.9-179.31.5113.1C123 Q163C123-R125 VanDerWaalsContact C-N 3.27Å; C123-R125 PolarHBondContact O-N 2.9Å; R125-Q163 PolarHBondContact O-NE2 3.33Å; R125-Q163 PolarHBondContact O-OE1 3.42Å; R125-Q163 VanDerWaalsContact O-OE1 3.13Å
126T86.3Confident86.9Confident44 Ų4450.1 Ų50.127%0.2725%0.25SC..SBendtrans-127.1173.2178.759.50000110.2F124 V128 A170F124-T126 PolarHBondContact O-N 3.49Å; T126-V128 PolarHBondContact O-N 3.22Å; T126-A170 HydrophobicContact CG2-CB 4.38Å
127L89.3Confident86.8Confident5 Ų544.1 Ų44.13%0.02622%0.224CC..  trans-55.2136.9167.3-62.8173.6000110.7D72 V74 N109 L164D72-L127 HydrophobicContact CB-CD1 3.92Å; V74-L127 HydrophobicContact CG2-CD2 3.76Å; N109-L127 HydrophobicContact CB-CD2 3.86Å; L127-L164 HydrophobicContact CD1-CD2 4.24Å
128V89.9Confident86.8Confident16 Ų1643 Ų4310%0.09722%0.216CC..EExtended strand (participates in β ladder)trans-119.9157.7175.8-61.40000110Y107 V108 F124 T126 A130 N134 F138Y107-V128 CarbonylContact C-O 3.56Å; Y107-V128 VanDerWaalsContact CA-O 3.25Å; Y107-V128 WeakPolarHBondContact CA-O 3.15Å; V108-V128 PolarHBondContact N-O 3.49Å; V108-V128 WeakPolarHBondContact O-CG2 3.28Å; V108-V128 PolarHBondContact O-N 2.87Å; V108-V128 VanDerWaalsContact O-N 3.1Å; F124-V128 HydrophobicContact CB-CG1 4.25Å; F124-V128 HydrophobicContact CD1-CG1 3.78Å; F124-V128 HydrophobicContact CD2-CG1 4.41Å; F124-V128 HydrophobicContact CD2-CG2 3.98Å; F124-V128 HydrophobicContact CE1-CG1 4.21Å; F124-V128 HydrophobicContact CE2-CG2 4.07Å; F124-V128 HydrophobicContact CG-CG1 3.89Å; F124-V128 HydrophobicContact CG-CG2 4.29Å; F124-V128 HydrophobicContact CZ-CG2 4.48Å; T126-V128 PolarHBondContact O-N 3.22Å; V128-A130 PolarHBondContact O-N 3.31Å; V128-N134 HydrophobicContact CG2-CB 4.3Å; V128-F138 HydrophobicContact CG2-CE2 3.5Å; V128-F138 HydrophobicContact CG2-CZ 3.71Å
129Q89.9Confident86.7Confident30 Ų3039.6 Ų39.614%0.1420%0.199CC..EExtended strand (participates in β ladder)trans-58.7137.4175.3-163.4173.53.400110.9D104 N131 N134 Y345D104-Q129 WeakPolarHBondContact O-CG 3.37Å; D104-Q129 PolarHBondContact O-NE2 3.14Å; Q129-N131 HydrophobicContact CG-CB 4.32Å; Q129-N131 PolarHBondContact O-N 3.1Å; Q129-N134 VanDerWaalsContact O-CB 3.3Å; Q129-N134 WeakPolarHBondContact O-CB 3.46Å; Q129-N134 PolarHBondContact O-ND2 3.24Å; Q129-Y345 PolarHBondContact NE2-OH 3.48Å
130A91Very high86.6Confident0 Ų043.5 Ų43.50%021%0.213CC..  trans-80.145.8174.300000112.6L102 D106 V108 V128 K135L102-A130 HydrophobicContact CB-CB 3.63Å; L102-A130 HydrophobicContact CD1-CB 3.92Å; L102-A130 HydrophobicContact CG-CB 4.42Å; D106-A130 HydrophobicContact CB-CB 4.3Å; D106-A130 PolarHBondContact O-N 2.87Å; V108-A130 HydrophobicContact CG1-CB 3.88Å; V128-A130 PolarHBondContact O-N 3.31Å; A130-K135 HydrophobicContact CB-CD 4.43Å; A130-K135 HydrophobicContact CB-CG 4.37Å; A130-K135 WeakPolarHBondContact O-CD 3.47Å; A130-K135 WeakPolarHBondContact O-CE 3.29Å
131N88.1Confident86.7Confident31 Ų3143.9 Ų43.917%0.16622%0.219CC..  trans-71.2164.9174.96920.2000111.4D104 Q129 R133 N134 K135D104-N131 WeakPolarHBondContact OD1-CA 3.4Å; Q129-N131 HydrophobicContact CG-CB 4.32Å; Q129-N131 PolarHBondContact O-N 3.1Å; N131-R133 PolarHBondContact O-N 2.78Å; N131-R133 PolarHBondContact OD1-N 3.37Å; N131-N134 PolarHBondContact O-N 3.35Å; N131-N134 WeakPolarHBondContact OD1-CB 3.33Å; N131-N134 PolarHBondContact OD1-N 3Å; N131-N134 PolarHBondContact OD1-ND2 2.97Å; N131-K135 WeakPolarHBondContact O-CB 3.49Å; N131-K135 WeakPolarHBondContact O-CG 3.39Å; N131-K135 PolarHBondContact O-N 2.9Å
132V84.4Confident87Confident38 Ų3843.5 Ų43.523%0.2322%0.216CC..Hα-helixtrans-54-39-178-178.90000112K136V132-K136 PolarHBondContact O-N 2.93Å; V132-K136 VanDerWaalsContact O-N 3.1Å
133R81.4Confident87.3Confident67 Ų6741.3 Ų41.325%0.25320%0.201SC..Hα-helixtrans-66.1-56.2179.9-173.6177.5-174.6-167.3-3.5112.9N131 K135 K136 I137 E859 E864N131-R133 PolarHBondContact O-N 2.78Å; N131-R133 PolarHBondContact OD1-N 3.37Å; R133-K135 VanDerWaalsContact C-N 3.31Å; R133-K135 PolarHBondContact O-N 3.4Å; R133-K136 WeakPolarHBondContact O-CB 3.31Å; R133-K136 PolarHBondContact O-N 3.43Å; R133-K136 VanDerWaalsContact O-N 3.11Å; R133-I137 HydrophobicContact CG-CD1 4.13Å; R133-I137 WeakPolarHBondContact O-CD1 3.3Å; R133-I137 WeakPolarHBondContact O-CG1 3.34Å; R133-I137 PolarHBondContact O-N 3.18Å; R133-I137 VanDerWaalsContact O-N 3.09Å; R133-E859 IonicContact CZ-OE2 3.74Å; R133-E859 IonicContact NE-OE2 3.31Å; R133-E859 PolarHBondContact NE-OE2 2.9Å; R133-E859 VanDerWaalsContact NE-OE2 3.14Å; R133-E859 IonicContact NH2-OE2 2.73Å; R133-E859 PolarHBondContact NH2-OE2 2.86Å; R133-E864 IonicContact CZ-OE2 2.9Å; R133-E864 IonicContact NH1-OE2 3.98Å; R133-E864 PolarHBondContact NH1-OE2 3.39Å; R133-E864 IonicContact NH2-OE2 3.28Å; R133-E864 PolarHBondContact NH2-OE2 2.83Å
134N86.4Confident87.7Confident11 Ų1146.3 Ų46.36%0.05922%0.22CC..Hα-helixtrans-62.2-39.7-179.8-67.8-17.6000111V128 Q129 N131 K136 I137 F138V128-N134 HydrophobicContact CG2-CB 4.3Å; Q129-N134 VanDerWaalsContact O-CB 3.3Å; Q129-N134 WeakPolarHBondContact O-CB 3.46Å; Q129-N134 PolarHBondContact O-ND2 3.24Å; N131-N134 PolarHBondContact O-N 3.35Å; N131-N134 WeakPolarHBondContact OD1-CB 3.33Å; N131-N134 PolarHBondContact OD1-N 3Å; N131-N134 PolarHBondContact OD1-ND2 2.97Å; N134-K136 VanDerWaalsContact C-N 3.32Å; N134-K136 PolarHBondContact O-N 3.34Å; N134-I137 PolarHBondContact O-N 3.34Å; N134-F138 WeakPolarHBondContact O-CD2 3.35Å; N134-F138 PolarHBondContact O-N 3.08Å
135K88.3Confident87.9Confident10 Ų1046.5 Ų46.54%0.04322%0.221CC..Hα-helixtrans-59.3-43.1173.6-74.8-171-67.9-167.40111.7L99 L102 A130 N131 R133 F138 K139L99-K135 WeakPolarHBondContact O-CD 3.25Å; L102-K135 PolarHBondContact O-NZ 2.98Å; A130-K135 HydrophobicContact CB-CD 4.43Å; A130-K135 HydrophobicContact CB-CG 4.37Å; A130-K135 WeakPolarHBondContact O-CD 3.47Å; A130-K135 WeakPolarHBondContact O-CE 3.29Å; N131-K135 WeakPolarHBondContact O-CB 3.49Å; N131-K135 WeakPolarHBondContact O-CG 3.39Å; N131-K135 PolarHBondContact O-N 2.9Å; R133-K135 VanDerWaalsContact C-N 3.31Å; R133-K135 PolarHBondContact O-N 3.4Å; K135-F138 PolarHBondContact O-N 3.44Å; K135-K139 VanDerWaalsContact O-CG 3.23Å; K135-K139 WeakPolarHBondContact O-CG 3.36Å; K135-K139 PolarHBondContact O-N 3.04Å
136K84.9Confident88.5Confident106 Ų10643 Ų4346%0.46121%0.213SC..Hα-helixtrans-61.2-45.5176.7-173.1-179.3174.5-172.90112V132 R133 N134 F138 K139 E140V132-K136 PolarHBondContact O-N 2.93Å; V132-K136 VanDerWaalsContact O-N 3.1Å; R133-K136 WeakPolarHBondContact O-CB 3.31Å; R133-K136 PolarHBondContact O-N 3.43Å; R133-K136 VanDerWaalsContact O-N 3.11Å; N134-K136 VanDerWaalsContact C-N 3.32Å; N134-K136 PolarHBondContact O-N 3.34Å; K136-F138 VanDerWaalsContact C-N 3.34Å; K136-F138 PolarHBondContact O-N 3.21Å; K136-K139 WeakPolarHBondContact O-CB 3.43Å; K136-K139 PolarHBondContact O-N 2.85Å; K136-E140 WeakPolarHBondContact CE-OE1 3.3Å; K136-E140 WeakPolarHBondContact O-CG 3.37Å; K136-E140 PolarHBondContact O-N 2.85Å
137I87.5Confident88.8Confident24 Ų2441.8 Ų41.812%0.12321%0.207CC..Hα-helixtrans-59.3-45.2176.5-64.9152.4000110.9V121 F124 R133 N134 E140 A141 P861V121-I137 HydrophobicContact CG1-CG2 4.27Å; V121-I137 HydrophobicContact CG2-CG2 4.11Å; F124-I137 HydrophobicContact CE2-CG2 4.1Å; F124-I137 HydrophobicContact CZ-CD1 4.35Å; F124-I137 HydrophobicContact CZ-CG2 4.29Å; R133-I137 HydrophobicContact CG-CD1 4.13Å; R133-I137 WeakPolarHBondContact O-CD1 3.3Å; R133-I137 WeakPolarHBondContact O-CG1 3.34Å; R133-I137 PolarHBondContact O-N 3.18Å; R133-I137 VanDerWaalsContact O-N 3.09Å; N134-I137 PolarHBondContact O-N 3.34Å; I137-E140 PolarHBondContact O-N 3.49Å; I137-A141 WeakPolarHBondContact O-CB 3.44Å; I137-A141 PolarHBondContact O-N 2.82Å; I137-P861 HydrophobicContact CD1-CB 3.31Å; I137-P861 HydrophobicContact CD1-CG 4.12Å; I137-P861 HydrophobicContact CG1-CB 3.91Å; I137-P861 HydrophobicContact CG1-CG 4.21Å; I137-P861 HydrophobicContact CG2-CB 4.25Å; I137-P861 HydrophobicContact CG2-CG 3.85Å
138F91Very high88.8Confident0 Ų047.9 Ų47.90%023%0.234CC..Hα-helixtrans-61.8-44.7175.2-78.2-60.4000112.3L99 V108 V110 V121 F124 V128 N134 K135 K136 E140 A141 V142L99-F138 HydrophobicContact CD1-CB 3.7Å; V108-F138 HydrophobicContact CG1-CD2 4.22Å; V108-F138 HydrophobicContact CG1-CE2 3.78Å; V110-F138 HydrophobicContact CB-CD1 3.92Å; V110-F138 HydrophobicContact CB-CE1 4.05Å; V110-F138 HydrophobicContact CG2-CD1 3.66Å; V110-F138 HydrophobicContact CG2-CE1 3.94Å; V110-F138 HydrophobicContact CG2-CG 4.08Å; V121-F138 HydrophobicContact CG2-CD1 3.85Å; V121-F138 HydrophobicContact CG2-CE1 4.07Å; F124-F138 HydrophobicContact CD2-CD1 4.39Å; F124-F138 AromaticContact CD2-CE1 3.59Å; F124-F138 HydrophobicContact CD2-CE1 3.59Å; F124-F138 AromaticContact CD2-CE2 3.95Å; F124-F138 HydrophobicContact CD2-CE2 3.95Å; F124-F138 AromaticContact CD2-CZ 3.33Å; F124-F138 HydrophobicContact CD2-CZ 3.33Å; F124-F138 HydrophobicContact CE2-CD2 4.44Å; F124-F138 HydrophobicContact CE2-CE1 4.17Å; F124-F138 AromaticContact CE2-CE2 3.95Å; F124-F138 HydrophobicContact CE2-CE2 3.95Å; F124-F138 AromaticContact CE2-CZ 3.82Å; F124-F138 HydrophobicContact CE2-CZ 3.82Å; F124-F138 HydrophobicContact CG-CZ 4.36Å; V128-F138 HydrophobicContact CG2-CE2 3.5Å; V128-F138 HydrophobicContact CG2-CZ 3.71Å; N134-F138 WeakPolarHBondContact O-CD2 3.35Å; N134-F138 PolarHBondContact O-N 3.08Å; K135-F138 PolarHBondContact O-N 3.44Å; K136-F138 VanDerWaalsContact C-N 3.34Å; K136-F138 PolarHBondContact O-N 3.21Å; F138-E140 VanDerWaalsContact C-N 3.33Å; F138-E140 PolarHBondContact O-N 2.8Å; F138-A141 PolarHBondContact O-N 3.39Å; F138-V142 VanDerWaalsContact O-CB 3.29Å; F138-V142 WeakPolarHBondContact O-CB 3.38Å; F138-V142 WeakPolarHBondContact O-CG2 3.26Å; F138-V142 PolarHBondContact O-N 3.31Å
139K90.3Very high88.8Confident37 Ų3749 Ų4916%0.16125%0.248CC..Hα-helixtrans-58.7-44.8178.6-71.2172.2-178.4-179.50111.2I96 L99 D100 K135 K136 V142 T143 E361I96-K139 HydrophobicContact CB-CG 4.46Å; I96-K139 HydrophobicContact CG1-CB 4.34Å; I96-K139 HydrophobicContact CG1-CG 4.16Å; I96-K139 HydrophobicContact CG2-CD 4.17Å; I96-K139 HydrophobicContact CG2-CG 4.05Å; L99-K139 HydrophobicContact CD1-CG 4.09Å; D100-K139 WeakPolarHBondContact OD1-CE 3.19Å; D100-K139 IonicContact OD1-NZ 2.77Å; D100-K139 PolarHBondContact OD1-NZ 2.9Å; K135-K139 VanDerWaalsContact O-CG 3.23Å; K135-K139 WeakPolarHBondContact O-CG 3.36Å; K135-K139 PolarHBondContact O-N 3.04Å; K136-K139 WeakPolarHBondContact O-CB 3.43Å; K136-K139 PolarHBondContact O-N 2.85Å; K139-V142 PolarHBondContact O-N 3.1Å; K139-T143 WeakPolarHBondContact O-CG2 3.22Å; K139-T143 PolarHBondContact O-N 2.85Å; K139-E361 IonicContact NZ-OE1 3.72Å
140E87.9Confident88.7Confident103 Ų10351.8 Ų51.848%0.48127%0.268SS..Hα-helixtrans-65.3-41.9176.9-71.7172.3-172.300112.1K136 I137 F138 V142 T143 H144K136-E140 WeakPolarHBondContact CE-OE1 3.3Å; K136-E140 WeakPolarHBondContact O-CG 3.37Å; K136-E140 PolarHBondContact O-N 2.85Å; I137-E140 PolarHBondContact O-N 3.49Å; F138-E140 VanDerWaalsContact C-N 3.33Å; F138-E140 PolarHBondContact O-N 2.8Å; E140-V142 VanDerWaalsContact C-N 3.35Å; E140-V142 PolarHBondContact O-N 3.49Å; E140-T143 PolarHBondContact O-N 2.83Å; E140-T143 PolarHBondContact O-OG1 2.86Å; E140-H144 PolarHBondContact O-ND1 2.82Å
141A90.1Very high88.6Confident25 Ų2554.7 Ų54.721%0.20729%0.285CS..Hα-helixtrans-70.1-33.2178.300000112.5V120 V121 I137 F138 H144V120-A141 HydrophobicContact CG1-CB 3.56Å; V121-A141 HydrophobicContact CG2-CB 3.75Å; I137-A141 WeakPolarHBondContact O-CB 3.44Å; I137-A141 PolarHBondContact O-N 2.82Å; F138-A141 PolarHBondContact O-N 3.39Å; A141-H144 PolarHBondContact O-N 3.44Å
142V92.4Very high88.7Confident0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-65.8-38.7176.8160.70000112K92 V95 I96 V110 F138 K139 E140 H144 M145K92-V142 HydrophobicContact CB-CG1 4.12Å; K92-V142 WeakPolarHBondContact CE-O 3.18Å; K92-V142 HydrophobicContact CG-CG1 4.24Å; K92-V142 WeakPolarHBondContact CG-O 3.43Å; V95-V142 HydrophobicContact CB-CG1 4.27Å; V95-V142 HydrophobicContact CG1-CG1 4.25Å; V95-V142 HydrophobicContact CG1-CG2 3.89Å; I96-V142 HydrophobicContact CD1-CG1 4.35Å; I96-V142 HydrophobicContact CG1-CG1 4.05Å; V110-V142 HydrophobicContact CG1-CG2 4.16Å; F138-V142 VanDerWaalsContact O-CB 3.29Å; F138-V142 WeakPolarHBondContact O-CB 3.38Å; F138-V142 WeakPolarHBondContact O-CG2 3.26Å; F138-V142 PolarHBondContact O-N 3.31Å; K139-V142 PolarHBondContact O-N 3.1Å; E140-V142 VanDerWaalsContact C-N 3.35Å; E140-V142 PolarHBondContact O-N 3.49Å; V142-H144 PolarHBondContact O-N 2.98Å; V142-M145 HydrophobicContact CB-CE 4.05Å; V142-M145 HydrophobicContact CG1-CE 3.75Å; V142-M145 HydrophobicContact CG2-CE 4.04Å; V142-M145 WeakPolarHBondContact O-CE 3.42Å; V142-M145 PolarHBondContact O-N 3.38Å
143T89.8Confident89.1Confident69 Ų6954.3 Ų54.342%0.42328%0.282SS..Hα-helixtrans-63.5-30.8178.754.50000112.4K92 I96 K139 E140K92-T143 WeakPolarHBondContact CE-O 3.21Å; K92-T143 PolarHBondContact NZ-O 2.93Å; I96-T143 HydrophobicContact CD1-CG2 3.94Å; K139-T143 WeakPolarHBondContact O-CG2 3.22Å; K139-T143 PolarHBondContact O-N 2.85Å; E140-T143 PolarHBondContact O-N 2.83Å; E140-T143 PolarHBondContact O-OG1 2.86Å
144H89.8Confident89.6Confident147 Ų14754.6 Ų54.668%0.68129%0.285SS*.THydrogen-bonded Turntrans-83.3-3-178.9-67.492.1000115.1E140 A141 V142E140-H144 PolarHBondContact O-ND1 2.82Å; A141-H144 PolarHBondContact O-N 3.44Å; V142-H144 PolarHBondContact O-N 2.98Å
145M89.4Confident89.9Confident7 Ų755.3 Ų55.33%0.03429%0.29CS..  trans-61.5144.5179.3-67.3-168.3-71.100112.8V77 V79 K92 K112 V120 V142V77-M145 HydrophobicContact CB-CE 4.48Å; V77-M145 HydrophobicContact CG1-CE 4.19Å; V77-M145 HydrophobicContact CG2-CE 4.44Å; V79-M145 HydrophobicContact CG1-SD 4.27Å; K92-M145 WeakPolarHBondContact CE-O 2.95Å; K92-M145 HydrophobicContact CG-CE 4.23Å; K92-M145 PolarHBondContact NZ-O 3Å; K112-M145 HydrophobicContact CB-SD 4.05Å; V120-M145 HydrophobicContact CG1-CG 4.39Å; V120-M145 HydrophobicContact CG1-SD 4.45Å; V120-M145 HydrophobicContact CG2-SD 3.81Å; V142-M145 HydrophobicContact CB-CE 4.05Å; V142-M145 HydrophobicContact CG1-CE 3.75Å; V142-M145 HydrophobicContact CG2-CE 4.04Å; V142-M145 WeakPolarHBondContact O-CE 3.42Å; V142-M145 PolarHBondContact O-N 3.38Å
146Q90.8Very high90.1Very high133 Ų13354.8 Ų54.862%0.62129%0.288SS*.  trans-128.5137.6177.9-64.1-175.94.400110.5
147A91.4Very high90.6Very high18 Ų1849.8 Ų49.815%0.14927%0.266CS..  trans-81.4119.9178.900000111.6V79 S80 V83 L88V79-A147 CarbonylContact O-C 3.46Å; V79-A147 VanDerWaalsContact O-CA 3.24Å; V79-A147 WeakPolarHBondContact O-CA 3.29Å; S80-A147 WeakPolarHBondContact O-CB 3.27Å; V83-A147 HydrophobicContact CG2-CB 3.99Å; L88-A147 HydrophobicContact CD2-CB 3.88Å
148K89.9Confident90.9Very high133 Ų13350.2 Ų50.258%0.57827%0.271SS*.  trans-156.4147177-63.7-175.2-176.7168.20110.9V79 N114V79-K148 PolarHBondContact O-N 2.99Å; V79-K148 VanDerWaalsContact O-O 3.1Å; N114-K148 WeakPolarHBondContact CB-O 3.25Å; N114-K148 PolarHBondContact ND2-O 2.79Å
149G89.5Confident91Very high39 Ų3951.9 Ų51.940%0.40228%0.278SS..SBendtrans91.2-17017200000114.1G81G81-G149 PolarHBondContact N-O 3.27Å
150T88.3Confident91.2Very high89 Ų8950.1 Ų50.155%0.54627%0.27SS..  trans-97.3167.1178.557.40000111.7N114 E115N114-T150 CarbonylContact C-O 2.9Å; N114-T150 WeakPolarHBondContact CA-O 3.48Å; N114-T150 WeakPolarHBondContact CB-O 3.32Å; E115-T150 VanDerWaalsContact CG-OG1 3.26Å; E115-T150 WeakPolarHBondContact CG-OG1 3.29Å; E115-T150 PolarHBondContact N-O 2.95Å; E115-T150 PolarHBondContact OE1-OG1 3.09Å
151T88.5Confident91.5Very high61 Ų6145.2 Ų45.237%0.37425%0.247SC..  trans-97.7122.8-176.2-45.40000111.1D78 S80 F113 Y153D78-T151 WeakPolarHBondContact OD2-CG2 3.41Å; S80-T151 WeakPolarHBondContact CB-OG1 2.98Å; S80-T151 PolarHBondContact OG-OG1 3.1Å; S80-T151 VanDerWaalsContact OG-OG1 3.07Å; F113-T151 HydrophobicContact CE2-CG2 4.01Å; T151-Y153 HydrophobicContact CG2-CD1 3.68Å; T151-Y153 HydrophobicContact CG2-CE1 3.31Å
152D91.3Very high91.5Very high53 Ų5348.7 Ų48.728%0.28326%0.259SS..  trans-126106.3169.2174.729.2000111.6F113 N114 K154 S155F113-D152 WeakPolarHBondContact CD2-O 3.39Å; N114-D152 WeakPolarHBondContact O-CB 3.26Å; N114-D152 PolarHBondContact O-N 2.95Å; D152-K154 VanDerWaalsContact C-N 3.31Å; D152-K154 PolarHBondContact O-N 3.04Å; D152-K154 WeakPolarHBondContact OD1-CB 3.34Å; D152-K154 PolarHBondContact OD1-N 3.07Å; D152-S155 PolarHBondContact O-OG 2.96Å; D152-S155 VanDerWaalsContact O-OG 3.11Å; D152-S155 WeakPolarHBondContact OD2-CB 2.96Å; D152-S155 PolarHBondContact OD2-N 3.01Å; D152-S155 VanDerWaalsContact OD2-N 3.08Å; D152-S155 PolarHBondContact OD2-OG 2.81Å
153Y91.9Very high91.4Very high8 Ų850 Ų503%0.03127%0.265CS..Hα-helixtrans-69.5-28.2177.2-66.4-11.7000112.8F113 T151 G156 F157 M181 T183 G185 G186 D188 L221F113-Y153 AromaticContact CE2-CD1 3.75Å; F113-Y153 HydrophobicContact CE2-CD1 3.75Å; F113-Y153 HydrophobicContact CE2-CE1 4.07Å; F113-Y153 HydrophobicContact CZ-CD1 4.13Å; F113-Y153 HydrophobicContact CZ-CE1 4.23Å; T151-Y153 HydrophobicContact CG2-CD1 3.68Å; T151-Y153 HydrophobicContact CG2-CE1 3.31Å; Y153-G156 PolarHBondContact O-N 3.14Å; Y153-F157 VanDerWaalsContact O-CD2 3.24Å; Y153-F157 WeakPolarHBondContact O-CD2 3.42Å; Y153-F157 PolarHBondContact O-N 3.31Å; Y153-M181 HydrophobicContact CD1-CE 3.29Å; Y153-M181 HydrophobicContact CD2-CE 4.09Å; Y153-M181 HydrophobicContact CE1-CE 3.09Å; Y153-M181 HydrophobicContact CE2-CE 3.91Å; Y153-M181 HydrophobicContact CG-CE 3.79Å; Y153-M181 VanDerWaalsContact CZ-CE 3.41Å; Y153-T183 PolarHBondContact OH-OG1 2.85Å; Y153-G185 VanDerWaalsContact OH-C 3.24Å; Y153-G185 PolarHBondContact OH-O 3.36Å; Y153-G186 VanDerWaalsContact OH-CA 3.23Å; Y153-G186 WeakPolarHBondContact OH-CA 3.4Å; Y153-G186 PolarHBondContact OH-N 2.79Å; Y153-D188 HydrophobicContact CD2-CB 4.46Å; Y153-D188 VanDerWaalsContact CD2-O 3.28Å; Y153-D188 WeakPolarHBondContact CD2-O 3.2Å; Y153-D188 WeakPolarHBondContact CE2-O 3.48Å; Y153-L221 HydrophobicContact CE2-CD2 4.39Å
154K92.9Very high91.3Very high73 Ų7346.8 Ų46.832%0.31725%0.246SC..Hα-helixtrans-67.6-45.1-176.2-63.2-171.9178.9-164.80110.9D152 T158 A190 E192 I193D152-K154 VanDerWaalsContact C-N 3.31Å; D152-K154 PolarHBondContact O-N 3.04Å; D152-K154 WeakPolarHBondContact OD1-CB 3.34Å; D152-K154 PolarHBondContact OD1-N 3.07Å; K154-T158 VanDerWaalsContact O-CB 3.28Å; K154-T158 WeakPolarHBondContact O-CB 3.46Å; K154-T158 PolarHBondContact O-N 2.6Å; K154-T158 PolarHBondContact O-OG1 3.41Å; K154-A190 HydrophobicContact CG-CB 4.24Å; K154-E192 IonicContact NZ-OE2 2.88Å; K154-E192 PolarHBondContact NZ-OE2 3.26Å; K154-I193 HydrophobicContact CB-CD1 4.33Å; K154-I193 HydrophobicContact CB-CG1 4.18Å; K154-I193 HydrophobicContact CG-CG1 4.24Å
155S92.3Very high91.1Very high26 Ų2643 Ų4318%0.18223%0.23CC..Hα-helixtrans-63.1-43.6175.459.20000112.2D152 T158 F159D152-S155 PolarHBondContact O-OG 2.96Å; D152-S155 VanDerWaalsContact O-OG 3.11Å; D152-S155 WeakPolarHBondContact OD2-CB 2.96Å; D152-S155 PolarHBondContact OD2-N 3.01Å; D152-S155 VanDerWaalsContact OD2-N 3.08Å; D152-S155 PolarHBondContact OD2-OG 2.81Å; S155-T158 PolarHBondContact O-N 2.9Å; S155-F159 PolarHBondContact O-N 2.64Å
156G93.1Very high90.5Very high0 Ų047.9 Ų47.90%026%0.256CS..Hα-helixtrans-56.4-51.9176.700000113.2Y153 A160Y153-G156 PolarHBondContact O-N 3.14Å; G156-A160 PolarHBondContact O-N 3.09Å; G156-A160 VanDerWaalsContact O-N 3.12Å
157F94.9Very high89.2Confident0 Ų050.7 Ų50.70%027%0.269CS..Hα-helixtrans-70.3-35.6178.8-77.4-65.1000113I76 Y153 F159 A160 F161 I179 M181 A190 I193 F194 V206 I224I76-F157 HydrophobicContact CD1-CD1 4.01Å; I76-F157 HydrophobicContact CD1-CE1 3.85Å; I76-F157 HydrophobicContact CD1-CG 4.45Å; I76-F157 HydrophobicContact CD1-CZ 4.18Å; Y153-F157 VanDerWaalsContact O-CD2 3.24Å; Y153-F157 WeakPolarHBondContact O-CD2 3.42Å; Y153-F157 PolarHBondContact O-N 3.31Å; F157-F159 VanDerWaalsContact C-N 3.35Å; F157-F159 PolarHBondContact O-N 2.82Å; F157-A160 PolarHBondContact O-N 2.94Å; F157-F161 HydrophobicContact CB-CD2 4.44Å; F157-F161 HydrophobicContact CB-CE2 4.39Å; F157-F161 WeakPolarHBondContact O-CD2 3.21Å; F157-F161 PolarHBondContact O-N 2.96Å; F157-I179 HydrophobicContact CD1-CD1 4.43Å; F157-I179 HydrophobicContact CD1-CG2 4.31Å; F157-I179 HydrophobicContact CE1-CG2 4.06Å; F157-M181 HydrophobicContact CE2-CE 4.45Å; F157-M181 HydrophobicContact CE2-SD 3.71Å; F157-M181 HydrophobicContact CZ-CB 4.43Å; F157-M181 HydrophobicContact CZ-SD 3.47Å; F157-M181 WeakPolarHBondContact CZ-SD 3.25Å; F157-A190 HydrophobicContact CD2-CB 4.33Å; F157-I193 HydrophobicContact CB-CG2 3.86Å; F157-F194 HydrophobicContact CD1-CE1 4.06Å; F157-F194 AromaticContact CD1-CZ 3.81Å; F157-F194 HydrophobicContact CD1-CZ 3.81Å; F157-F194 HydrophobicContact CD2-CE2 4.46Å; F157-F194 HydrophobicContact CD2-CZ 4Å; F157-F194 HydrophobicContact CE1-CE1 4.18Å; F157-F194 AromaticContact CE1-CZ 3.73Å; F157-F194 HydrophobicContact CE1-CZ 3.73Å; F157-F194 HydrophobicContact CE2-CE2 4.42Å; F157-F194 AromaticContact CE2-CZ 3.93Å; F157-F194 HydrophobicContact CE2-CZ 3.93Å; F157-F194 HydrophobicContact CG-CE1 4.44Å; F157-F194 AromaticContact CG-CZ 3.96Å; F157-F194 HydrophobicContact CG-CZ 3.96Å; F157-F194 AromaticContact CZ-CZ 3.79Å; F157-F194 HydrophobicContact CZ-CZ 3.79Å; F157-V206 HydrophobicContact CE1-CG1 3.81Å; F157-V206 HydrophobicContact CZ-CG1 4.21Å; F157-I224 HydrophobicContact CE2-CD1 4.32Å; F157-I224 HydrophobicContact CZ-CG2 4.12Å
158T94.4Very high87.9Confident34 Ų3451.7 Ų51.721%0.20928%0.275CS..Hα-helixtrans-59.9-47.3176.1-59.50000110.7K154 S155 A160 F161 E162 Y197K154-T158 VanDerWaalsContact O-CB 3.28Å; K154-T158 WeakPolarHBondContact O-CB 3.46Å; K154-T158 PolarHBondContact O-N 2.6Å; K154-T158 PolarHBondContact O-OG1 3.41Å; S155-T158 PolarHBondContact O-N 2.9Å; T158-A160 VanDerWaalsContact C-N 3.35Å; T158-A160 PolarHBondContact O-N 3.39Å; T158-F161 PolarHBondContact O-N 3.41Å; T158-E162 WeakPolarHBondContact O-CB 3.34Å; T158-E162 WeakPolarHBondContact O-CG 3.48Å; T158-E162 PolarHBondContact O-N 3.16Å; T158-Y197 HydrophobicContact CG2-CE2 4.4Å
159F92.9Very high86.6Confident34 Ų3451.9 Ų51.915%0.14929%0.293CS..Hα-helixtrans-58.8-45.5175.1179.8-86.3000111.9A111 A117 A119 S155 F157 F161 E162 Q163A111-F159 HydrophobicContact CB-CD1 3.74Å; A111-F159 HydrophobicContact CB-CE1 3.48Å; A111-F159 VanDerWaalsContact CB-CE1 3.48Å; A111-F159 HydrophobicContact CB-CZ 4.33Å; A117-F159 HydrophobicContact CB-CB 3.56Å; A117-F159 HydrophobicContact CB-CD2 4.39Å; A117-F159 HydrophobicContact CB-CG 3.98Å; A119-F159 HydrophobicContact CB-CZ 4.19Å; S155-F159 PolarHBondContact O-N 2.64Å; F157-F159 VanDerWaalsContact C-N 3.35Å; F157-F159 PolarHBondContact O-N 2.82Å; F159-F161 PolarHBondContact O-N 3.14Å; F159-E162 PolarHBondContact O-N 2.98Å; F159-Q163 HydrophobicContact CD1-CG 3.98Å; F159-Q163 HydrophobicContact CE1-CG 3.52Å; F159-Q163 HydrophobicContact CZ-CG 3.82Å; F159-Q163 VanDerWaalsContact O-CG 3.31Å; F159-Q163 WeakPolarHBondContact O-CG 3.45Å; F159-Q163 PolarHBondContact O-N 3.39Å
160A93.9Very high85.9Confident0 Ų051.2 Ų51.20%028%0.284CS..Hα-helixtrans-63.1-42.1-179.100000112.8V74 I76 G156 F157 T158 Q163 L164 I179V74-A160 HydrophobicContact CB-CB 4.4Å; V74-A160 HydrophobicContact CG1-CB 3.93Å; I76-A160 HydrophobicContact CG2-CB 3.99Å; G156-A160 PolarHBondContact O-N 3.09Å; G156-A160 VanDerWaalsContact O-N 3.12Å; F157-A160 PolarHBondContact O-N 2.94Å; T158-A160 VanDerWaalsContact C-N 3.35Å; T158-A160 PolarHBondContact O-N 3.39Å; A160-Q163 PolarHBondContact O-N 3.49Å; A160-L164 WeakPolarHBondContact O-CG 3.08Å; A160-L164 PolarHBondContact O-N 3.26Å; A160-I179 HydrophobicContact CB-CD1 3.74Å; A160-I179 HydrophobicContact CB-CG1 4.05Å; A160-I179 HydrophobicContact CB-CG2 4.04Å
161F93.5Very high85.5Confident0 Ų049.9 Ų49.90%028%0.277CS..Hα-helixtrans-67.5-40.3175.5-78.4-62.7000112.3F157 T158 F159 Q163 L164 L165 I179 I193 F194 Y197 N198 V204F157-F161 HydrophobicContact CB-CD2 4.44Å; F157-F161 HydrophobicContact CB-CE2 4.39Å; F157-F161 WeakPolarHBondContact O-CD2 3.21Å; F157-F161 PolarHBondContact O-N 2.96Å; T158-F161 PolarHBondContact O-N 3.41Å; F159-F161 PolarHBondContact O-N 3.14Å; F161-Q163 VanDerWaalsContact C-N 3.3Å; F161-Q163 PolarHBondContact O-N 2.96Å; F161-L164 PolarHBondContact O-N 2.97Å; F161-L165 HydrophobicContact CB-CD1 4.23Å; F161-L165 HydrophobicContact CD1-CD1 4.14Å; F161-L165 VanDerWaalsContact O-CB 3.25Å; F161-L165 WeakPolarHBondContact O-CB 3.22Å; F161-L165 WeakPolarHBondContact O-CG 3.29Å; F161-L165 PolarHBondContact O-N 3.07Å; F161-I179 HydrophobicContact CD1-CD1 4.14Å; F161-I179 HydrophobicContact CD2-CD1 4.41Å; F161-I179 HydrophobicContact CE1-CD1 3.9Å; F161-I179 HydrophobicContact CE2-CD1 4.17Å; F161-I179 HydrophobicContact CG-CD1 4.38Å; F161-I179 HydrophobicContact CZ-CD1 3.9Å; F161-I193 HydrophobicContact CD2-CG2 3.87Å; F161-I193 HydrophobicContact CE2-CG2 4.02Å; F161-F194 AromaticContact CE2-CD1 3.89Å; F161-F194 HydrophobicContact CE2-CD1 3.89Å; F161-F194 AromaticContact CE2-CE1 3.85Å; F161-F194 HydrophobicContact CE2-CE1 3.85Å; F161-F194 AromaticContact CZ-CD1 3.8Å; F161-F194 HydrophobicContact CZ-CD1 3.8Å; F161-F194 AromaticContact CZ-CE1 3.88Å; F161-F194 HydrophobicContact CZ-CE1 3.88Å; F161-Y197 HydrophobicContact CB-CD1 4.02Å; F161-Y197 HydrophobicContact CB-CD2 4.16Å; F161-Y197 HydrophobicContact CB-CG 3.83Å; F161-Y197 HydrophobicContact CD2-CD2 4.04Å; F161-Y197 HydrophobicContact CD2-CG 4.1Å; F161-Y197 HydrophobicContact CG-CD2 4.25Å; F161-Y197 AromaticContact CG-CG 3.91Å; F161-Y197 HydrophobicContact CG-CG 3.91Å; F161-N198 HydrophobicContact CE1-CB 4Å; F161-N198 HydrophobicContact CZ-CB 3.98Å; F161-V204 HydrophobicContact CD1-CG2 4.38Å; F161-V204 HydrophobicContact CE1-CB 3.95Å; F161-V204 HydrophobicContact CE1-CG1 4.09Å; F161-V204 HydrophobicContact CE1-CG2 4Å
162E91.1Very high85.3Confident99 Ų9949.3 Ų49.346%0.46327%0.268SS..Hα-helixtrans-60.4-40.9174.3-74.5176.2-176.900111.3T158 F159 N166T158-E162 WeakPolarHBondContact O-CB 3.34Å; T158-E162 WeakPolarHBondContact O-CG 3.48Å; T158-E162 PolarHBondContact O-N 3.16Å; F159-E162 PolarHBondContact O-N 2.98Å; E162-N166 WeakPolarHBondContact O-CB 3.48Å; E162-N166 PolarHBondContact O-N 3.44Å; E162-N166 VanDerWaalsContact O-N 3.12Å
163Q89.1Confident85Confident27 Ų2748.1 Ų48.113%0.12627%0.265CS..Hα-helixtrans-64.1-41.8175.2-70.8-67.4-48.400112.5V74 N109 R125 F159 A160 F161 R172V74-Q163 HydrophobicContact CG2-CB 4.08Å; N109-Q163 PolarHBondContact ND2-OE1 2.8Å; R125-Q163 PolarHBondContact O-NE2 3.33Å; R125-Q163 PolarHBondContact O-OE1 3.42Å; R125-Q163 VanDerWaalsContact O-OE1 3.13Å; F159-Q163 HydrophobicContact CD1-CG 3.98Å; F159-Q163 HydrophobicContact CE1-CG 3.52Å; F159-Q163 HydrophobicContact CZ-CG 3.82Å; F159-Q163 VanDerWaalsContact O-CG 3.31Å; F159-Q163 WeakPolarHBondContact O-CG 3.45Å; F159-Q163 PolarHBondContact O-N 3.39Å; A160-Q163 PolarHBondContact O-N 3.49Å; F161-Q163 VanDerWaalsContact C-N 3.3Å; F161-Q163 PolarHBondContact O-N 2.96Å; Q163-R172 VanDerWaalsContact O-CZ 3.3Å; Q163-R172 PolarHBondContact O-NH1 3.14Å; Q163-R172 PolarHBondContact O-NH2 3.04Å
164L88.9Confident84.7Confident2 Ų253.1 Ų53.11%0.0129%0.292CS..Hα-helixtrans-79.1-33.4-176.7-74.7171.6000114.4D72 V74 L127 A160 F161 R172 I179 V204D72-L164 HydrophobicContact CB-CD2 4.14Å; V74-L164 HydrophobicContact CG2-CD1 4.27Å; V74-L164 HydrophobicContact CG2-CD2 3.9Å; V74-L164 HydrophobicContact CG2-CG 3.72Å; L127-L164 HydrophobicContact CD1-CD2 4.24Å; A160-L164 WeakPolarHBondContact O-CG 3.08Å; A160-L164 PolarHBondContact O-N 3.26Å; F161-L164 PolarHBondContact O-N 2.97Å; L164-R172 VanDerWaalsContact C-NH1 3.34Å; L164-R172 PolarHBondContact O-NH1 3.03Å; L164-I179 HydrophobicContact CD1-CD1 3.94Å; L164-I179 HydrophobicContact CD1-CG1 3.43Å; L164-I179 VanDerWaalsContact CD1-CG1 3.43Å; L164-V204 HydrophobicContact CD1-CG1 3.8Å
165L84.3Confident84.6Confident66 Ų6650 Ų5035%0.34628%0.279SS..Hα-helixtrans-99.4-22.3-171.6-61.7175.5000113.5F161 E167 Y197F161-L165 HydrophobicContact CB-CD1 4.23Å; F161-L165 HydrophobicContact CD1-CD1 4.14Å; F161-L165 VanDerWaalsContact O-CB 3.25Å; F161-L165 WeakPolarHBondContact O-CB 3.22Å; F161-L165 WeakPolarHBondContact O-CG 3.29Å; F161-L165 PolarHBondContact O-N 3.07Å; L165-E167 PolarHBondContact O-N 3.29Å; L165-E167 VanDerWaalsContact O-N 3.15Å; L165-Y197 HydrophobicContact CD1-CD1 3.85Å
166N76.6Confident84.5Confident110 Ų11048.8 Ų48.859%0.58827%0.271SS*.  trans-72.5112.5-178-159.96000110.4E162 S168 R172E162-N166 WeakPolarHBondContact O-CB 3.48Å; E162-N166 PolarHBondContact O-N 3.44Å; E162-N166 VanDerWaalsContact O-N 3.12Å; N166-S168 PolarHBondContact O-N 3.26Å; N166-S168 PolarHBondContact O-OG 2.85Å; N166-R172 PolarHBondContact O-NH2 3.14Å
167E63.9Low84.5Confident192 Ų19251.2 Ų51.290%0.89728%0.282SS*.  trans-70.867.5176.7-67.1-172.8172.600110.6L165L165-E167 PolarHBondContact O-N 3.29Å; L165-E167 VanDerWaalsContact O-N 3.15Å
168S64.4Low84.5Confident40 Ų4051.2 Ų51.228%0.2828%0.282SS..  trans-68.6148.2164.533.50000108.7N166 A170 R172N166-S168 PolarHBondContact O-N 3.26Å; N166-S168 PolarHBondContact O-OG 2.85Å; S168-A170 PolarHBondContact O-N 2.81Å; S168-R172 PolarHBondContact OG-NH2 2.64Å
169S63Low84.6Confident136 Ų13649.6 Ų49.695%0.95127%0.272SS*.SBendtrans-64.210.7172.861.40000114.1
170A74.3Confident84.7Confident26 Ų2648 Ų4822%0.21527%0.265CS..SBendtrans-76.7141.5179.600000110.2T126 S168T126-A170 HydrophobicContact CG2-CB 4.38Å; S168-A170 PolarHBondContact O-N 2.81Å
171P79.8Confident84.8Confident60 Ų6048 Ų4839%0.3927%0.265SS..  trans-63144.8176.229.3-34.9000110.2Y107 A868Y107-P171 WeakPolarHBondContact CD1-O 3.25Å; Y107-P171 HydrophobicContact CE1-CB 4.25Å; Y107-P171 HydrophobicContact CE1-CG 4.36Å; Y107-P171 WeakPolarHBondContact CE1-O 3.33Å; Y107-P171 WeakPolarHBondContact OH-CB 3.44Å; P171-A868 HydrophobicContact CG-CB 4.12Å
172R85.4Confident84.9Confident50 Ų5048 Ų4819%0.18927%0.265CS..  trans-142.6163.2-179.4-65.9-175-179.7-129.5-8.6110.7Y107 Q163 L164 N166 S168Y107-R172 PolarHBondContact OH-N 2.86Å; Y107-R172 PolarHBondContact OH-O 2.02Å; Q163-R172 VanDerWaalsContact O-CZ 3.3Å; Q163-R172 PolarHBondContact O-NH1 3.14Å; Q163-R172 PolarHBondContact O-NH2 3.04Å; L164-R172 VanDerWaalsContact C-NH1 3.34Å; L164-R172 PolarHBondContact O-NH1 3.03Å; N166-R172 PolarHBondContact O-NH2 3.14Å; S168-R172 PolarHBondContact OG-NH2 2.64Å
173A84.4Confident84.9Confident27 Ų2743.3 Ų43.322%0.22324%0.243CC..  trans-73.3-35.7170.700000110.4P70 D72 Y107 C175P70-A173 HydrophobicContact CB-CB 4.07Å; D72-A173 WeakPolarHBondContact OD1-CB 3.37Å; D72-A173 PolarHBondContact OD1-N 2.81Å; Y107-A173 HydrophobicContact CD2-CB 3.75Å; Y107-A173 HydrophobicContact CE2-CB 4.01Å; A173-C175 PolarHBondContact O-N 2.83Å
174N86.5Confident84.9Confident113 Ų11342.2 Ų42.260%0.60424%0.238SC*.  trans52.540.6-179.5-157.331.2000113D72 K177D72-N174 WeakPolarHBondContact OD2-CA 3.48Å; D72-N174 PolarHBondContact OD2-N 2.86Å; N174-K177 PolarHBondContact OD1-NZ 2.86Å
175C89.2Confident84.7Confident7 Ų742.3 Ų42.35%0.04724%0.24CC..SBendtrans-122.7-112179-177.30000109.4S69 P70 A173 K177 C877S69-C175 VanDerWaalsContact CB-SG 3.53Å; P70-C175 WeakPolarHBondContact O-CB 3.43Å; P70-C175 PolarHBondContact O-SG 3Å; A173-C175 PolarHBondContact O-N 2.83Å; C175-K177 PolarHBondContact O-N 2.98Å; C175-C877 WeakPolarHBondContact CA-SG 3.44Å; C175-C877 HydrophobicContact CB-CB 3.76Å; C175-C877 WeakPolarHBondContact CB-SG 3.46Å; C175-C877 WeakPolarHBondContact SG-CB 3.39Å; C175-C877 CovalentContact SG-SG 2.01Å; C175-C877 PolarHBondContact SG-SG 2.91Å
176N91.7Very high84.4Confident2 Ų239.8 Ų39.81%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-69.8117.7176.9-78.2-55.4000111.3S69 P70 K71 D72 L252 D879S69-N176 PolarHBondContact O-ND2 3.22Å; P70-N176 PolarHBondContact O-N 3.48Å; P70-N176 VanDerWaalsContact O-N 3.16Å; K71-N176 CarbonylContact C-O 3.57Å; K71-N176 VanDerWaalsContact CA-O 3.28Å; K71-N176 WeakPolarHBondContact CA-O 3.3Å; K71-N176 HydrophobicContact CB-CB 3.79Å; D72-N176 PolarHBondContact N-O 2.98Å; N176-L252 HydrophobicContact CB-CD2 4.45Å; N176-D879 VanDerWaalsContact OD1-CA 3.22Å; N176-D879 WeakPolarHBondContact OD1-CA 3.46Å; N176-D879 WeakPolarHBondContact OD1-CB 3.47Å
177K93.3Very high84.4Confident51 Ų5143.6 Ų43.622%0.22224%0.244CC..EExtended strand (participates in β ladder)trans-100.1124.5174.6-63.5180-173.9-179.40110.3D72 N174 C175 V204 R205D72-K177 HydrophobicContact CB-CG 4.47Å; N174-K177 PolarHBondContact OD1-NZ 2.86Å; C175-K177 PolarHBondContact O-N 2.98Å; K177-V204 HydrophobicContact CB-CG2 4.23Å; K177-V204 WeakPolarHBondContact O-CA 3.32Å; K177-R205 PolarHBondContact O-N 3.23Å
178M93.9Very high85.4Confident0 Ų038 Ų380%022%0.22CC..EExtended strand (participates in β ladder)trans-147.3149.8-175.661.6-175.7-69.200114.7K71 D72 M73 V74 M180 R205 F207 Y248 L252K71-M178 HydrophobicContact CB-SD 4.36Å; K71-M178 HydrophobicContact CD-SD 3.94Å; K71-M178 HydrophobicContact CG-SD 4.45Å; D72-M178 PolarHBondContact O-N 2.92Å; M73-M178 WeakPolarHBondContact CA-O 3.32Å; M73-M178 HydrophobicContact CB-CG 4.04Å; M73-M178 HydrophobicContact CE-CE 3.59Å; M73-M178 HydrophobicContact CE-SD 3.76Å; M73-M178 HydrophobicContact CG-CG 4.11Å; M73-M178 HydrophobicContact CG-SD 4.5Å; V74-M178 PolarHBondContact N-O 2.75Å; M178-M180 HydrophobicContact CE-CE 3.22Å; M178-M180 HydrophobicContact CE-CG 3.8Å; M178-M180 HydrophobicContact CE-SD 3.97Å; M178-R205 CarbonylContact C-O 3.5Å; M178-R205 WeakPolarHBondContact CA-O 3.36Å; M178-R205 HydrophobicContact CB-CB 4.3Å; M178-F207 HydrophobicContact CB-CD2 4.44Å; M178-F207 HydrophobicContact CB-CE2 4.22Å; M178-F207 HydrophobicContact CE-CD2 3.55Å; M178-F207 HydrophobicContact CE-CE2 3.5Å; M178-F207 HydrophobicContact CE-CG 4.5Å; M178-F207 HydrophobicContact CE-CZ 4.41Å; M178-F207 HydrophobicContact SD-CE2 4.45Å; M178-Y248 HydrophobicContact CE-CD2 3.96Å; M178-Y248 HydrophobicContact CE-CE2 4.27Å; M178-Y248 HydrophobicContact SD-CE2 4.48Å; M178-L252 HydrophobicContact SD-CD1 3.99Å; M178-L252 HydrophobicContact SD-CD2 4.42Å
179I96.5Very high86.5Confident0 Ų040.9 Ų40.90%023%0.225CC..EExtended strand (participates in β ladder)trans-117.9131.1174-57.4169.8000107.9V74 I76 F157 A160 F161 L164 V204 R205 V206 F207V74-I179 WeakPolarHBondContact O-CA 3.3Å; I76-I179 HydrophobicContact CD1-CG2 4.01Å; I76-I179 HydrophobicContact CG1-CG2 4.22Å; F157-I179 HydrophobicContact CD1-CD1 4.43Å; F157-I179 HydrophobicContact CD1-CG2 4.31Å; F157-I179 HydrophobicContact CE1-CG2 4.06Å; A160-I179 HydrophobicContact CB-CD1 3.74Å; A160-I179 HydrophobicContact CB-CG1 4.05Å; A160-I179 HydrophobicContact CB-CG2 4.04Å; F161-I179 HydrophobicContact CD1-CD1 4.14Å; F161-I179 HydrophobicContact CD2-CD1 4.41Å; F161-I179 HydrophobicContact CE1-CD1 3.9Å; F161-I179 HydrophobicContact CE2-CD1 4.17Å; F161-I179 HydrophobicContact CG-CD1 4.38Å; F161-I179 HydrophobicContact CZ-CD1 3.9Å; L164-I179 HydrophobicContact CD1-CD1 3.94Å; L164-I179 HydrophobicContact CD1-CG1 3.43Å; L164-I179 VanDerWaalsContact CD1-CG1 3.43Å; I179-V204 HydrophobicContact CD1-CG1 3.91Å; I179-V204 HydrophobicContact CG1-CG1 3.86Å; I179-R205 PolarHBondContact N-O 3.47Å; I179-V206 WeakPolarHBondContact O-CA 3.31Å; I179-F207 PolarHBondContact O-N 3.33Å
180M95.6Very high87.7Confident0 Ų034.5 Ų34.50%018%0.18CC..EExtended strand (participates in β ladder)trans-115.1122.7173-72.2-175.915700109.8M73 V74 I75 I76 M98 M178 F182 F207 F209 Y248M73-M180 HydrophobicContact CE-CE 3.67Å; M73-M180 HydrophobicContact CE-SD 3.55Å; M73-M180 VanDerWaalsContact CE-SD 3.55Å; M73-M180 HydrophobicContact CG-SD 4.39Å; M73-M180 HydrophobicContact SD-CG 4.48Å; M73-M180 HydrophobicContact SD-SD 3.61Å; M73-M180 VanDerWaalsContact SD-SD 3.61Å; V74-M180 PolarHBondContact O-N 2.86Å; I75-M180 WeakPolarHBondContact CA-O 3.42Å; I75-M180 HydrophobicContact CG1-CB 4.49Å; I76-M180 PolarHBondContact N-O 2.87Å; M98-M180 HydrophobicContact CE-CE 3.64Å; M98-M180 HydrophobicContact CE-SD 3.63Å; M98-M180 HydrophobicContact CG-SD 3.79Å; M98-M180 HydrophobicContact SD-CE 3.62Å; M98-M180 HydrophobicContact SD-SD 3.61Å; M98-M180 VanDerWaalsContact SD-SD 3.61Å; M178-M180 HydrophobicContact CE-CE 3.22Å; M178-M180 HydrophobicContact CE-CG 3.8Å; M178-M180 HydrophobicContact CE-SD 3.97Å; M180-F182 HydrophobicContact CB-CE2 4.26Å; M180-F207 WeakPolarHBondContact CA-O 3.16Å; M180-F207 HydrophobicContact CG-CB 4.13Å; M180-F209 HydrophobicContact CB-CE2 4.22Å; M180-F209 HydrophobicContact CE-CE2 4.33Å; M180-F209 HydrophobicContact CE-CZ 4.29Å; M180-F209 HydrophobicContact CG-CE2 4.12Å; M180-F209 HydrophobicContact SD-CE2 4.18Å; M180-Y248 HydrophobicContact CE-CD1 3.65Å; M180-Y248 HydrophobicContact CE-CD2 3.77Å; M180-Y248 HydrophobicContact CE-CE1 4.05Å; M180-Y248 HydrophobicContact CE-CE2 4.16Å; M180-Y248 HydrophobicContact CE-CG 3.49Å; M180-Y248 VanDerWaalsContact CE-CG 3.49Å
181M95.3Very high88.5Confident0 Ų037.2 Ų37.20%019%0.188CC..EExtended strand (participates in β ladder)trans-110.6126.2-179.6-177.9-175.4-179.200111.1I76 F113 Y153 F157 T183 F207 F209 L221I76-M181 HydrophobicContact CD1-CB 4Å; I76-M181 HydrophobicContact CD1-CG 4Å; I76-M181 HydrophobicContact CG1-CB 3.77Å; I76-M181 HydrophobicContact CG1-CG 3.93Å; I76-M181 WeakPolarHBondContact O-CA 3.31Å; F113-M181 HydrophobicContact CZ-CE 3.78Å; Y153-M181 HydrophobicContact CD1-CE 3.29Å; Y153-M181 HydrophobicContact CD2-CE 4.09Å; Y153-M181 HydrophobicContact CE1-CE 3.09Å; Y153-M181 HydrophobicContact CE2-CE 3.91Å; Y153-M181 HydrophobicContact CG-CE 3.79Å; Y153-M181 VanDerWaalsContact CZ-CE 3.41Å; F157-M181 HydrophobicContact CE2-CE 4.45Å; F157-M181 HydrophobicContact CE2-SD 3.71Å; F157-M181 HydrophobicContact CZ-CB 4.43Å; F157-M181 HydrophobicContact CZ-SD 3.47Å; F157-M181 WeakPolarHBondContact CZ-SD 3.25Å; M181-T183 HydrophobicContact CE-CG2 3.89Å; M181-T183 HydrophobicContact CG-CG2 4.46Å; M181-F207 PolarHBondContact N-O 2.68Å; M181-F209 PolarHBondContact O-N 2.72Å; M181-L221 HydrophobicContact CE-CD2 4.35Å; M181-L221 HydrophobicContact SD-CD2 4.31Å
182F94.9Very high89.1Confident0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-109.7119.5173.5-67.2-94.3000109.9I75 I76 D78 M91 V95 M98 M180 F209 V211 I235I75-F182 HydrophobicContact CG2-CD2 3.86Å; I75-F182 HydrophobicContact CG2-CE2 3.76Å; I76-F182 PolarHBondContact O-N 3.5Å; D78-F182 VanDerWaalsContact CB-O 3.28Å; D78-F182 WeakPolarHBondContact CB-O 3.27Å; D78-F182 PolarHBondContact N-O 2.93Å; M91-F182 HydrophobicContact CG-CB 4.4Å; V95-F182 HydrophobicContact CG2-CD2 3.97Å; V95-F182 HydrophobicContact CG2-CE2 4.04Å; V95-F182 HydrophobicContact CG2-CG 4.33Å; V95-F182 HydrophobicContact CG2-CZ 4.45Å; M98-F182 HydrophobicContact CE-CZ 4.19Å; M180-F182 HydrophobicContact CB-CE2 4.26Å; F182-F209 HydrophobicContact CD1-CB 3.57Å; F182-F209 HydrophobicContact CD1-CD2 4.23Å; F182-F209 AromaticContact CD1-CG 3.9Å; F182-F209 HydrophobicContact CD1-CG 3.9Å; F182-F209 HydrophobicContact CE1-CB 3.8Å; F182-F209 AromaticContact CE1-CD1 3.94Å; F182-F209 HydrophobicContact CE1-CD1 3.94Å; F182-F209 AromaticContact CE1-CD2 3.86Å; F182-F209 HydrophobicContact CE1-CD2 3.86Å; F182-F209 HydrophobicContact CE1-CE2 4.44Å; F182-F209 AromaticContact CE1-CG 3.59Å; F182-F209 HydrophobicContact CE1-CG 3.59Å; F182-F209 HydrophobicContact CE2-CD2 4.15Å; F182-F209 HydrophobicContact CE2-CE2 4.46Å; F182-F209 HydrophobicContact CG-CB 4.19Å; F182-F209 HydrophobicContact CZ-CD1 4.43Å; F182-F209 AromaticContact CZ-CD2 3.82Å; F182-F209 HydrophobicContact CZ-CD2 3.82Å; F182-F209 HydrophobicContact CZ-CE2 4.06Å; F182-F209 HydrophobicContact CZ-CG 4.03Å; F182-F209 HydrophobicContact CZ-CZ 4.48Å; F182-V211 HydrophobicContact CD1-CG2 3.97Å; F182-I235 HydrophobicContact CE1-CD1 4.45Å
183T93.1Very high89.5Confident0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-151.8166.9-179.3-179.20000110.4D78 M91 Y153 M181 G185 F209 S210 V211 L221D78-T183 PolarHBondContact OD2-OG1 2.75Å; M91-T183 WeakPolarHBondContact CE-O 2.97Å; Y153-T183 PolarHBondContact OH-OG1 2.85Å; M181-T183 HydrophobicContact CE-CG2 3.89Å; M181-T183 HydrophobicContact CG-CG2 4.46Å; T183-G185 PolarHBondContact OG1-O 2.95Å; T183-F209 PolarHBondContact N-O 2.7Å; T183-F209 VanDerWaalsContact N-O 3.09Å; T183-F209 VanDerWaalsContact O-O 3.04Å; T183-S210 WeakPolarHBondContact O-CA 3.01Å; T183-V211 PolarHBondContact O-N 2.85Å; T183-L221 HydrophobicContact CG2-CD1 3.53Å; T183-L221 HydrophobicContact CG2-CD2 3.57Å; T183-L221 HydrophobicContact CG2-CG 4.19Å
184D88.9Confident89.9Confident4 Ų437.1 Ų37.12%0.02118%0.181CC..SBendtrans-96.59.8176.166-23.5000112.7S82 V83 T87 M91 H214 Y216S82-D184 VanDerWaalsContact CB-OD2 3.27Å; S82-D184 WeakPolarHBondContact CB-OD2 3.34Å; S82-D184 PolarHBondContact OG-OD1 2.78Å; S82-D184 PolarHBondContact OG-OD2 2.88Å; S82-D184 VanDerWaalsContact OG-OD2 3.13Å; V83-D184 HydrophobicContact CG1-CB 3.97Å; V83-D184 WeakPolarHBondContact CG1-OD1 3.46Å; T87-D184 HydrophobicContact CG2-CB 3.76Å; M91-D184 HydrophobicContact CE-CB 4.28Å; D184-H214 PolarHBondContact O-CD2 2.8Å; D184-H214 PolarHBondContact O-CE1 3.39Å; D184-H214 PolarHBondContact O-ND1 3.24Å; D184-H214 PolarHBondContact O-NE2 3.05Å; D184-Y216 HydrophobicContact CB-CD2 4.36Å; D184-Y216 WeakPolarHBondContact O-CB 3.33Å; D184-Y216 WeakPolarHBondContact O-CD2 3.46Å; D184-Y216 WeakPolarHBondContact OD2-CE2 3.48Å
185G83.4Confident90.2Very high5 Ų536.6 Ų36.65%0.05217%0.174CC..  trans124.7168.6-177.600000111.3Y153 T183Y153-G185 VanDerWaalsContact OH-C 3.24Å; Y153-G185 PolarHBondContact OH-O 3.36Å; T183-G185 PolarHBondContact OG1-O 2.95Å
186G78.6Confident90.4Very high13 Ų1343.4 Ų43.413%0.13420%0.203CC..  trans-171.9161179.100000113.8Y153 D217 P220Y153-G186 VanDerWaalsContact OH-CA 3.23Å; Y153-G186 WeakPolarHBondContact OH-CA 3.4Å; Y153-G186 PolarHBondContact OH-N 2.79Å; G186-D217 PolarHBondContact N-O 3.35Å; G186-D217 VanDerWaalsContact N-O 3.08Å; G186-P220 WeakPolarHBondContact O-CD 3.38Å; G186-P220 WeakPolarHBondContact O-CG 3.44Å
187E77.3Confident90.3Very high189 Ų18946.1 Ų46.188%0.88321%0.214SC*.SBendtrans-98.3-29.2-176.7-62.4-176.9174.800112.6
188D84.9Confident90.2Very high74 Ų7443.9 Ų43.940%0.39620%0.204SC..  trans-90.1143.5-178.8-1661.9000112.1Y153 A190Y153-D188 HydrophobicContact CD2-CB 4.46Å; Y153-D188 VanDerWaalsContact CD2-O 3.28Å; Y153-D188 WeakPolarHBondContact CD2-O 3.2Å; Y153-D188 WeakPolarHBondContact CE2-O 3.48Å; D188-A190 PolarHBondContact OD1-N 2.88Å
189R86.5Confident90Very high102 Ų10247.1 Ų47.139%0.38522%0.217SC..  trans-96.4-11.9175.1-68.9179.6-177.2-179.62.2113.2Q191 P220 W223R189-Q191 PolarHBondContact O-N 3.08Å; R189-Q191 VanDerWaalsContact O-N 3.07Å; R189-P220 HydrophobicContact CG-CB 3.82Å; R189-P220 HydrophobicContact CG-CG 4.43Å; R189-W223 HydrophobicContact CB-CE3 3.81Å; R189-W223 HydrophobicContact CB-CZ3 3.85Å; R189-W223 HydrophobicContact CG-CD2 4.41Å; R189-W223 HydrophobicContact CG-CE3 3.99Å
190A88.5Confident89.5Confident1 Ų152.6 Ų52.61%0.00825%0.252CS..  trans50.133.5-178.400000114.1K154 F157 D188 E192 I193 F194K154-A190 HydrophobicContact CG-CB 4.24Å; F157-A190 HydrophobicContact CD2-CB 4.33Å; D188-A190 PolarHBondContact OD1-N 2.88Å; A190-E192 VanDerWaalsContact C-N 3.27Å; A190-E192 PolarHBondContact O-N 2.84Å; A190-I193 PolarHBondContact O-N 3.32Å; A190-F194 WeakPolarHBondContact O-CD2 3.32Å
191Q90.5Very high88.9Confident84 Ų8458.5 Ų58.539%0.39328%0.284SS..Hα-helixtrans-54.1-40.3-173175.2172.9-11.800113.3R189 I193 F194 E195 W199 W223R189-Q191 PolarHBondContact O-N 3.08Å; R189-Q191 VanDerWaalsContact O-N 3.07Å; Q191-I193 PolarHBondContact O-N 3.49Å; Q191-F194 PolarHBondContact O-N 3.1Å; Q191-F194 VanDerWaalsContact O-N 3.11Å; Q191-E195 HydrophobicContact CG-CG 4.25Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.5Å; Q191-E195 PolarHBondContact NE2-OE1 3.17Å; Q191-E195 PolarHBondContact O-N 3.34Å; Q191-W199 HydrophobicContact CG-CH2 4.4Å; Q191-W199 HydrophobicContact CG-CZ3 4.42Å; Q191-W223 HydrophobicContact CB-CH2 3.93Å; Q191-W223 HydrophobicContact CB-CZ3 4.36Å; Q191-W223 HydrophobicContact CG-CH2 3.92Å
192E92.6Very high88.6Confident119 Ų11961.8 Ų61.856%0.55630%0.298SS*.Hα-helixtrans-53-37.2178.3-175.7-176.7-174.400113.1K154 A190 K196K154-E192 IonicContact NZ-OE2 2.88Å; K154-E192 PolarHBondContact NZ-OE2 3.26Å; A190-E192 VanDerWaalsContact C-N 3.27Å; A190-E192 PolarHBondContact O-N 2.84Å; E192-K196 WeakPolarHBondContact O-CB 3.48Å; E192-K196 PolarHBondContact O-N 3.3Å; E192-K196 VanDerWaalsContact O-N 3.16Å
193I93.4Very high88.3Confident16 Ų1666 Ų668%0.08232%0.324CS..Hα-helixtrans-71.8-41.3-179.2-56.2-55.7000110.7K154 F157 F161 A190 Q191 K196 Y197K154-I193 HydrophobicContact CB-CD1 4.33Å; K154-I193 HydrophobicContact CB-CG1 4.18Å; K154-I193 HydrophobicContact CG-CG1 4.24Å; F157-I193 HydrophobicContact CB-CG2 3.86Å; F161-I193 HydrophobicContact CD2-CG2 3.87Å; F161-I193 HydrophobicContact CE2-CG2 4.02Å; A190-I193 PolarHBondContact O-N 3.32Å; Q191-I193 PolarHBondContact O-N 3.49Å; I193-K196 PolarHBondContact O-N 3.42Å; I193-Y197 HydrophobicContact CG2-CD2 3.81Å; I193-Y197 HydrophobicContact CG2-CE2 4.28Å; I193-Y197 WeakPolarHBondContact O-CD2 3.34Å; I193-Y197 PolarHBondContact O-N 3.17Å
194F93.9Very high88.2Confident0 Ų066 Ų660%032%0.324CS..Hα-helixtrans-69.9-36.9178.9-63.3-65.4000112.4F157 F161 A190 Q191 K196 N198 W199 V206 I224 N228F157-F194 HydrophobicContact CD1-CE1 4.06Å; F157-F194 AromaticContact CD1-CZ 3.81Å; F157-F194 HydrophobicContact CD1-CZ 3.81Å; F157-F194 HydrophobicContact CD2-CE2 4.46Å; F157-F194 HydrophobicContact CD2-CZ 4Å; F157-F194 HydrophobicContact CE1-CE1 4.18Å; F157-F194 AromaticContact CE1-CZ 3.73Å; F157-F194 HydrophobicContact CE1-CZ 3.73Å; F157-F194 HydrophobicContact CE2-CE2 4.42Å; F157-F194 AromaticContact CE2-CZ 3.93Å; F157-F194 HydrophobicContact CE2-CZ 3.93Å; F157-F194 HydrophobicContact CG-CE1 4.44Å; F157-F194 AromaticContact CG-CZ 3.96Å; F157-F194 HydrophobicContact CG-CZ 3.96Å; F157-F194 AromaticContact CZ-CZ 3.79Å; F157-F194 HydrophobicContact CZ-CZ 3.79Å; F161-F194 AromaticContact CE2-CD1 3.89Å; F161-F194 HydrophobicContact CE2-CD1 3.89Å; F161-F194 AromaticContact CE2-CE1 3.85Å; F161-F194 HydrophobicContact CE2-CE1 3.85Å; F161-F194 AromaticContact CZ-CD1 3.8Å; F161-F194 HydrophobicContact CZ-CD1 3.8Å; F161-F194 AromaticContact CZ-CE1 3.88Å; F161-F194 HydrophobicContact CZ-CE1 3.88Å; A190-F194 WeakPolarHBondContact O-CD2 3.32Å; Q191-F194 PolarHBondContact O-N 3.1Å; Q191-F194 VanDerWaalsContact O-N 3.11Å; F194-K196 VanDerWaalsContact C-N 3.29Å; F194-K196 PolarHBondContact O-N 3.48Å; F194-N198 PolarHBondContact O-N 3.15Å; F194-W199 HydrophobicContact CB-CD2 4.48Å; F194-W199 HydrophobicContact CB-CZ2 4.12Å; F194-W199 PolarHBondContact O-N 2.88Å; F194-V206 HydrophobicContact CE1-CG2 3.87Å; F194-I224 HydrophobicContact CE2-CG1 4.14Å; F194-I224 HydrophobicContact CE2-CG2 3.95Å; F194-I224 HydrophobicContact CZ-CG2 3.66Å; F194-N228 WeakPolarHBondContact CD1-ND2 3.31Å
195E92.9Very high88.4Confident101 Ų10166.3 Ų66.347%0.47233%0.325SS..Hα-helixtrans-61-38.9172.8-75.7178.2-178.400112Q191 W199Q191-E195 HydrophobicContact CG-CG 4.25Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.5Å; Q191-E195 PolarHBondContact NE2-OE1 3.17Å; Q191-E195 PolarHBondContact O-N 3.34Å; E195-W199 HydrophobicContact CB-CE3 4.49Å; E195-W199 HydrophobicContact CG-CD2 4.43Å; E195-W199 HydrophobicContact CG-CE3 3.51Å; E195-W199 HydrophobicContact CG-CZ3 3.68Å
196K92.3Very high89Confident150 Ų15066 Ų6665%0.65232%0.322SS*.Hα-helixtrans-75.2-45.6179.5-175.5-176.9176.7-166.90113.5E192 I193 F194E192-K196 WeakPolarHBondContact O-CB 3.48Å; E192-K196 PolarHBondContact O-N 3.3Å; E192-K196 VanDerWaalsContact O-N 3.16Å; I193-K196 PolarHBondContact O-N 3.42Å; F194-K196 VanDerWaalsContact C-N 3.29Å; F194-K196 PolarHBondContact O-N 3.48Å
197Y90.4Very high89.8Confident59 Ų5965.4 Ų65.423%0.23132%0.316CS..Hα-helixtrans-101.9-30-167.5-73.7-72.4000115.3T158 F161 L165 I193T158-Y197 HydrophobicContact CG2-CE2 4.4Å; F161-Y197 HydrophobicContact CB-CD1 4.02Å; F161-Y197 HydrophobicContact CB-CD2 4.16Å; F161-Y197 HydrophobicContact CB-CG 3.83Å; F161-Y197 HydrophobicContact CD2-CD2 4.04Å; F161-Y197 HydrophobicContact CD2-CG 4.1Å; F161-Y197 HydrophobicContact CG-CD2 4.25Å; F161-Y197 AromaticContact CG-CG 3.91Å; F161-Y197 HydrophobicContact CG-CG 3.91Å; L165-Y197 HydrophobicContact CD1-CD1 3.85Å; I193-Y197 HydrophobicContact CG2-CD2 3.81Å; I193-Y197 HydrophobicContact CG2-CE2 4.28Å; I193-Y197 WeakPolarHBondContact O-CD2 3.34Å; I193-Y197 PolarHBondContact O-N 3.17Å
198N91.5Very high90.6Very high4 Ų456.4 Ų56.42%0.02127%0.274CS..THydrogen-bonded Turntrans-119.7-28.1-168.8-161.428.3000114F161 F194 K202 T203 V204 N228F161-N198 HydrophobicContact CE1-CB 4Å; F161-N198 HydrophobicContact CZ-CB 3.98Å; F194-N198 PolarHBondContact O-N 3.15Å; N198-K202 WeakPolarHBondContact O-CA 3.33Å; N198-K202 PolarHBondContact O-N 2.88Å; N198-K202 WeakPolarHBondContact OD1-CA 3.09Å; N198-T203 PolarHBondContact OD1-N 3.39Å; N198-T203 VanDerWaalsContact OD1-N 3.09Å; N198-V204 PolarHBondContact ND2-O 3.12Å; N198-V204 PolarHBondContact OD1-N 2.9Å; N198-N228 PolarHBondContact ND2-OD1 2.74Å
199W89.4Confident90.9Very high69 Ų6952.9 Ų52.926%0.26126%0.255SS..THydrogen-bonded Turntrans-91.7145.4-175.9-64.51.7000111.9Q191 F194 E195 W223 A227 N228Q191-W199 HydrophobicContact CG-CH2 4.4Å; Q191-W199 HydrophobicContact CG-CZ3 4.42Å; F194-W199 HydrophobicContact CB-CD2 4.48Å; F194-W199 HydrophobicContact CB-CZ2 4.12Å; F194-W199 PolarHBondContact O-N 2.88Å; E195-W199 HydrophobicContact CB-CE3 4.49Å; E195-W199 HydrophobicContact CG-CD2 4.43Å; E195-W199 HydrophobicContact CG-CE3 3.51Å; E195-W199 HydrophobicContact CG-CZ3 3.68Å; W199-W223 AromaticContact CH2-CH2 3.79Å; W199-W223 HydrophobicContact CH2-CH2 3.79Å; W199-W223 HydrophobicContact CH2-CZ2 4.09Å; W199-W223 HydrophobicContact CZ2-CH2 4.26Å; W199-A227 HydrophobicContact CZ2-CB 3.86Å; W199-N228 PolarHBondContact NE1-OD1 3.03Å; W199-N228 VanDerWaalsContact NE1-OD1 3.11Å
200P85.9Confident91.2Very high115 Ų11548.1 Ų48.175%0.74724%0.237SC*.THydrogen-bonded Turncis-90.3-12.39.334.7-35.6000115.5K202P200-K202 PolarHBondContact O-N 2.96Å
201N83.8Confident91.4Very high124 Ų12448 Ų4866%0.66324%0.236SC*.THydrogen-bonded Turntrans-72.7-26.3-168.5-68.5-16.4000114.1T203N201-T203 HydrophobicContact CB-CG2 4.04Å; N201-T203 PolarHBondContact O-N 2.99Å
202K88Confident91.1Very high68 Ų6844.2 Ų44.230%0.29622%0.219SC..  trans52.554.9179.9-58.5178.8-176.2-166.60111.9N198 P200 A227 K229N198-K202 WeakPolarHBondContact O-CA 3.33Å; N198-K202 PolarHBondContact O-N 2.88Å; N198-K202 WeakPolarHBondContact OD1-CA 3.09Å; P200-K202 PolarHBondContact O-N 2.96Å; K202-A227 WeakPolarHBondContact CD-O 3.08Å; K202-A227 WeakPolarHBondContact CE-O 3.36Å; K202-A227 PolarHBondContact NZ-O 2.86Å; K202-K229 HydrophobicContact CB-CD 4.25Å; K202-K229 HydrophobicContact CB-CG 4.37Å; K202-K229 HydrophobicContact CD-CG 4.34Å
203T87.8Confident90.7Very high89 Ų8946.8 Ų46.855%0.54623%0.231SC..  trans-75.7-29.9-179.8530000112.1N198 N201N198-T203 PolarHBondContact OD1-N 3.39Å; N198-T203 VanDerWaalsContact OD1-N 3.09Å; N201-T203 HydrophobicContact CB-CG2 4.04Å; N201-T203 PolarHBondContact O-N 2.99Å
204V92.6Very high90.1Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-96.9128.2178-176.70000109.7F161 L164 K177 I179 N198F161-V204 HydrophobicContact CD1-CG2 4.38Å; F161-V204 HydrophobicContact CE1-CB 3.95Å; F161-V204 HydrophobicContact CE1-CG1 4.09Å; F161-V204 HydrophobicContact CE1-CG2 4Å; L164-V204 HydrophobicContact CD1-CG1 3.8Å; K177-V204 HydrophobicContact CB-CG2 4.23Å; K177-V204 WeakPolarHBondContact O-CA 3.32Å; I179-V204 HydrophobicContact CD1-CG1 3.91Å; I179-V204 HydrophobicContact CG1-CG1 3.86Å; N198-V204 PolarHBondContact ND2-O 3.12Å; N198-V204 PolarHBondContact OD1-N 2.9Å
205R93.2Very high89.5Confident10 Ų1056.2 Ų56.24%0.03828%0.281CS..EExtended strand (participates in β ladder)trans-87136.3174.4-62.9177.1-176.5-100.50.2110.5K177 M178 I179 F207 N228 K229 D879 E884K177-R205 PolarHBondContact O-N 3.23Å; M178-R205 CarbonylContact C-O 3.5Å; M178-R205 WeakPolarHBondContact CA-O 3.36Å; M178-R205 HydrophobicContact CB-CB 4.3Å; I179-R205 PolarHBondContact N-O 3.47Å; R205-F207 HydrophobicContact CB-CE2 3.82Å; R205-F207 HydrophobicContact CB-CZ 4.45Å; R205-N228 WeakPolarHBondContact CA-O 3.36Å; R205-K229 PolarHBondContact NH1-O 3.1Å; R205-D879 PolarHBondContact NH2-O 3.34Å; R205-E884 IonicContact CZ-OE1 2.85Å; R205-E884 VanDerWaalsContact CZ-OE1 3.28Å; R205-E884 IonicContact CZ-OE2 2.7Å; R205-E884 IonicContact NH1-OE1 3.47Å; R205-E884 PolarHBondContact NH1-OE1 3.22Å; R205-E884 IonicContact NH1-OE2 2.69Å; R205-E884 VanDerWaalsContact NH2-CD 3.26Å; R205-E884 IonicContact NH2-OE1 2.96Å; R205-E884 PolarHBondContact NH2-OE1 3.24Å; R205-E884 IonicContact NH2-OE2 2.98Å; R205-E884 PolarHBondContact NH2-OE2 3.48Å
206V94.9Very high89Confident0 Ų057.3 Ų57.30%028%0.281CS..EExtended strand (participates in β ladder)trans-119.6119.8-178.7-173.80000110.4F157 I179 F194 I224 A225 N228 G230F157-V206 HydrophobicContact CE1-CG1 3.81Å; F157-V206 HydrophobicContact CZ-CG1 4.21Å; I179-V206 WeakPolarHBondContact O-CA 3.31Å; F194-V206 HydrophobicContact CE1-CG2 3.87Å; V206-I224 HydrophobicContact CB-CG2 4.4Å; V206-I224 HydrophobicContact CG1-CG2 3.64Å; V206-A225 WeakPolarHBondContact O-CA 3.49Å; V206-N228 HydrophobicContact CB-CB 3.78Å; V206-N228 HydrophobicContact CG2-CB 3.62Å; V206-N228 PolarHBondContact N-O 3.36Å; V206-G230 WeakPolarHBondContact O-CA 3.3Å
207F94.8Very high88.6Confident0 Ų054.1 Ų54.10%027%0.271CS..EExtended strand (participates in β ladder)trans-109.2136.9177.4-62-92.5000109.7M178 I179 M180 M181 R205 F209 Y231 F233 V251 L252M178-F207 HydrophobicContact CB-CD2 4.44Å; M178-F207 HydrophobicContact CB-CE2 4.22Å; M178-F207 HydrophobicContact CE-CD2 3.55Å; M178-F207 HydrophobicContact CE-CE2 3.5Å; M178-F207 HydrophobicContact CE-CG 4.5Å; M178-F207 HydrophobicContact CE-CZ 4.41Å; M178-F207 HydrophobicContact SD-CE2 4.45Å; I179-F207 PolarHBondContact O-N 3.33Å; M180-F207 WeakPolarHBondContact CA-O 3.16Å; M180-F207 HydrophobicContact CG-CB 4.13Å; M181-F207 PolarHBondContact N-O 2.68Å; R205-F207 HydrophobicContact CB-CE2 3.82Å; R205-F207 HydrophobicContact CB-CZ 4.45Å; F207-F209 HydrophobicContact CB-CE2 4.1Å; F207-Y231 WeakPolarHBondContact CA-O 3.34Å; F207-F233 AromaticContact CD1-CE2 3.86Å; F207-F233 HydrophobicContact CD1-CE2 3.86Å; F207-V251 HydrophobicContact CE1-CB 4.07Å; F207-V251 HydrophobicContact CE1-CG1 4.1Å; F207-V251 HydrophobicContact CE1-CG2 4.16Å; F207-V251 HydrophobicContact CZ-CB 4.19Å; F207-V251 HydrophobicContact CZ-CG1 4.03Å; F207-L252 HydrophobicContact CZ-CD2 4.48Å
208T93.9Very high88.5Confident0 Ų052.9 Ų52.90%027%0.27CS..EExtended strand (participates in β ladder)trans-123.4129.1-177.857.70000110.2L221 I224 A225 Y231 F233T208-L221 HydrophobicContact CG2-CB 4.39Å; T208-L221 PolarHBondContact OG1-O 3.3Å; T208-I224 HydrophobicContact CG2-CB 4.14Å; T208-I224 HydrophobicContact CG2-CG2 3.92Å; T208-A225 HydrophobicContact CG2-CB 4.44Å; T208-Y231 PolarHBondContact N-O 3.06Å; T208-F233 PolarHBondContact O-N 3.42Å
209F93.1Very high88.4Confident0 Ų055.9 Ų55.90%029%0.288CS..EExtended strand (participates in β ladder)trans-113.8116.2179.7-65.8-95.5000109.5M98 M180 M181 F182 T183 F207 V211 F233 I235M98-F209 HydrophobicContact CE-CE1 4.13Å; M98-F209 HydrophobicContact CE-CE2 4.19Å; M98-F209 HydrophobicContact CE-CZ 3.57Å; M180-F209 HydrophobicContact CB-CE2 4.22Å; M180-F209 HydrophobicContact CE-CE2 4.33Å; M180-F209 HydrophobicContact CE-CZ 4.29Å; M180-F209 HydrophobicContact CG-CE2 4.12Å; M180-F209 HydrophobicContact SD-CE2 4.18Å; M181-F209 PolarHBondContact O-N 2.72Å; F182-F209 HydrophobicContact CD1-CB 3.57Å; F182-F209 HydrophobicContact CD1-CD2 4.23Å; F182-F209 AromaticContact CD1-CG 3.9Å; F182-F209 HydrophobicContact CD1-CG 3.9Å; F182-F209 HydrophobicContact CE1-CB 3.8Å; F182-F209 AromaticContact CE1-CD1 3.94Å; F182-F209 HydrophobicContact CE1-CD1 3.94Å; F182-F209 AromaticContact CE1-CD2 3.86Å; F182-F209 HydrophobicContact CE1-CD2 3.86Å; F182-F209 HydrophobicContact CE1-CE2 4.44Å; F182-F209 AromaticContact CE1-CG 3.59Å; F182-F209 HydrophobicContact CE1-CG 3.59Å; F182-F209 HydrophobicContact CE2-CD2 4.15Å; F182-F209 HydrophobicContact CE2-CE2 4.46Å; F182-F209 HydrophobicContact CG-CB 4.19Å; F182-F209 HydrophobicContact CZ-CD1 4.43Å; F182-F209 AromaticContact CZ-CD2 3.82Å; F182-F209 HydrophobicContact CZ-CD2 3.82Å; F182-F209 HydrophobicContact CZ-CE2 4.06Å; F182-F209 HydrophobicContact CZ-CG 4.03Å; F182-F209 HydrophobicContact CZ-CZ 4.48Å; T183-F209 PolarHBondContact N-O 2.7Å; T183-F209 VanDerWaalsContact N-O 3.09Å; T183-F209 VanDerWaalsContact O-O 3.04Å; F207-F209 HydrophobicContact CB-CE2 4.1Å; F209-V211 HydrophobicContact CB-CG2 4.25Å; F209-F233 WeakPolarHBondContact CA-O 3.47Å; F209-F233 HydrophobicContact CD1-CB 3.44Å; F209-F233 VanDerWaalsContact CD1-CB 3.44Å; F209-F233 AromaticContact CD1-CD2 3.93Å; F209-F233 HydrophobicContact CD1-CD2 3.93Å; F209-F233 AromaticContact CD1-CG 4Å; F209-F233 HydrophobicContact CD1-CG 4Å; F209-F233 HydrophobicContact CE1-CB 3.58Å; F209-F233 AromaticContact CE1-CD2 3.31Å; F209-F233 HydrophobicContact CE1-CD2 3.31Å; F209-F233 HydrophobicContact CE1-CE2 4.1Å; F209-F233 AromaticContact CE1-CG 3.58Å; F209-F233 HydrophobicContact CE1-CG 3.58Å; F209-F233 HydrophobicContact CE2-CD2 4.1Å; F209-F233 HydrophobicContact CG-CB 4.27Å; F209-F233 HydrophobicContact CZ-CB 4.49Å; F209-F233 AromaticContact CZ-CD2 3.4Å; F209-F233 HydrophobicContact CZ-CD2 3.4Å; F209-F233 VanDerWaalsContact CZ-CD2 3.4Å; F209-F233 AromaticContact CZ-CE2 3.85Å; F209-F233 HydrophobicContact CZ-CE2 3.85Å; F209-F233 HydrophobicContact CZ-CG 4.17Å; F209-I235 HydrophobicContact CD1-CD1 3.83Å; F209-I235 HydrophobicContact CD1-CG1 4.44Å
210S92.4Very high88.4Confident1 Ų152.8 Ų52.81%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-85.7119.6168-155.10000108.5T183 H214 V218 Y232 F233 E234 I235T183-S210 WeakPolarHBondContact O-CA 3.01Å; S210-H214 PolarHBondContact OG-CE1 3.2Å; S210-H214 PolarHBondContact OG-NE2 3.43Å; S210-V218 VanDerWaalsContact OG-CG1 3.28Å; S210-V218 WeakPolarHBondContact OG-CG1 3.5Å; S210-Y232 VanDerWaalsContact CB-OH 3.27Å; S210-Y232 WeakPolarHBondContact CB-OH 3.48Å; S210-F233 PolarHBondContact N-O 3.3Å; S210-E234 CarbonylContact O-C 3.55Å; S210-E234 WeakPolarHBondContact O-CA 3.22Å; S210-I235 PolarHBondContact O-N 3.43Å
211V91.5Very high88.7Confident0 Ų047.3 Ų47.30%024%0.241CC..EExtended strand (participates in β ladder)trans-119.6135.9-172-174.10000111.7T87 L90 M91 F182 T183 F209 H214 I235T87-V211 WeakPolarHBondContact CG2-O 3.46Å; L90-V211 HydrophobicContact CB-CG1 3.45Å; L90-V211 VanDerWaalsContact CB-CG1 3.45Å; L90-V211 HydrophobicContact CD1-CG1 4.4Å; M91-V211 HydrophobicContact CE-CB 3.93Å; M91-V211 HydrophobicContact CE-CG2 4.41Å; M91-V211 HydrophobicContact CG-CB 3.8Å; M91-V211 HydrophobicContact CG-CG1 3.8Å; M91-V211 HydrophobicContact CG-CG2 3.97Å; F182-V211 HydrophobicContact CD1-CG2 3.97Å; T183-V211 PolarHBondContact O-N 2.85Å; F209-V211 HydrophobicContact CB-CG2 4.25Å; V211-H214 PolarHBondContact O-CD2 3.02Å; V211-I235 HydrophobicContact CG1-CB 4.4Å; V211-I235 HydrophobicContact CG1-CG2 4.45Å; V211-I235 HydrophobicContact CG2-CB 4.33Å; V211-I235 HydrophobicContact CG2-CD1 4.42Å
212G85.8Confident88.9Confident3 Ų344.1 Ų44.13%0.03122%0.223CC..SBendtrans88.8174.3178.900000112.9H214 I235G212-H214 PolarHBondContact O-CD2 3.48Å; G212-I235 PolarHBondContact N-O 3.13Å
213Q82.8Confident89Confident173 Ų17344 Ų4481%0.80822%0.22SC*.SBendtrans-93.3111.8170.7-71.3-177.3-18.600108
214H81.2Confident89.3Confident42 Ų4239.8 Ų39.819%0.19419%0.194CC..  trans-142.5162.6-177.956.269.5000110.7D184 S210 V211 G212 Y216D184-H214 PolarHBondContact O-CD2 2.8Å; D184-H214 PolarHBondContact O-CE1 3.39Å; D184-H214 PolarHBondContact O-ND1 3.24Å; D184-H214 PolarHBondContact O-NE2 3.05Å; S210-H214 PolarHBondContact OG-CE1 3.2Å; S210-H214 PolarHBondContact OG-NE2 3.43Å; V211-H214 PolarHBondContact O-CD2 3.02Å; G212-H214 PolarHBondContact O-CD2 3.48Å; H214-Y216 HydrophobicContact CB-CD2 3.72Å; H214-Y216 HydrophobicContact CB-CE2 4.29Å
215N81.3Confident89.2Confident173 Ų17339.8 Ų39.893%0.92519%0.194SC*.  trans-103.37.9177.7-66.4-11.8000112.8
216Y82.9Confident89.1Confident123 Ų12341.6 Ų41.648%0.48221%0.208SC..SBendtrans-70.5154177.1-58.8-66.8000112.1D184 H214D184-Y216 HydrophobicContact CB-CD2 4.36Å; D184-Y216 WeakPolarHBondContact O-CB 3.33Å; D184-Y216 WeakPolarHBondContact O-CD2 3.46Å; D184-Y216 WeakPolarHBondContact OD2-CE2 3.48Å; H214-Y216 HydrophobicContact CB-CD2 3.72Å; H214-Y216 HydrophobicContact CB-CE2 4.29Å
217D84Confident88.9Confident84 Ų8442.3 Ų42.345%0.44921%0.214SC..  trans-71.3130.9179-169.911.7000111.2G186 T219G186-D217 PolarHBondContact N-O 3.35Å; G186-D217 VanDerWaalsContact N-O 3.08Å; D217-T219 VanDerWaalsContact OD1-CB 3.23Å; D217-T219 WeakPolarHBondContact OD1-CB 3.27Å; D217-T219 PolarHBondContact OD1-N 3.07Å; D217-T219 PolarHBondContact OD1-OG1 3.43Å
218V87.7Confident88.7Confident33 Ų3342.3 Ų42.320%0.221%0.214CC..  trans-102.9-7.7178.3-60.50000112.3S210 L221 Q222 Y232S210-V218 VanDerWaalsContact OG-CG1 3.28Å; S210-V218 WeakPolarHBondContact OG-CG1 3.5Å; V218-L221 WeakPolarHBondContact O-CB 3.36Å; V218-L221 PolarHBondContact O-N 3.47Å; V218-L221 VanDerWaalsContact O-N 3.12Å; V218-Q222 PolarHBondContact O-N 3.47Å; V218-Q222 VanDerWaalsContact O-N 3.07Å; V218-Y232 HydrophobicContact CB-CE2 4.33Å
219T88.5Confident88.5Confident66 Ų6644.5 Ų44.541%0.40522%0.224SC..Hα-helixtrans-58.2-41.1-177.5-50.10000112.3D217 L221 Q222 W223D217-T219 VanDerWaalsContact OD1-CB 3.23Å; D217-T219 WeakPolarHBondContact OD1-CB 3.27Å; D217-T219 PolarHBondContact OD1-N 3.07Å; D217-T219 PolarHBondContact OD1-OG1 3.43Å; T219-L221 PolarHBondContact O-N 2.89Å; T219-Q222 PolarHBondContact O-N 3.46Å; T219-W223 PolarHBondContact O-N 3.3Å
220P91.1Very high88.4Confident4 Ų444.6 Ų44.63%0.02623%0.225CC..Hα-helixtrans-62.8-38.4175.2-30.543.7000113.4G186 R189 W223 I224G186-P220 WeakPolarHBondContact O-CD 3.38Å; G186-P220 WeakPolarHBondContact O-CG 3.44Å; R189-P220 HydrophobicContact CG-CB 3.82Å; R189-P220 HydrophobicContact CG-CG 4.43Å; P220-W223 WeakPolarHBondContact O-CB 3.32Å; P220-W223 PolarHBondContact O-N 3.17Å; P220-I224 VanDerWaalsContact O-CG1 3.3Å; P220-I224 WeakPolarHBondContact O-CG1 3.09Å; P220-I224 PolarHBondContact O-N 2.92Å
221L90.7Very high88.4Confident0 Ų046.5 Ų46.50%023%0.232CC..Hα-helixtrans-64.8-46.3177.7-57.8178.8000111.7Y153 M181 T183 T208 V218 T219 W223 I224 A225 Y232Y153-L221 HydrophobicContact CE2-CD2 4.39Å; M181-L221 HydrophobicContact CE-CD2 4.35Å; M181-L221 HydrophobicContact SD-CD2 4.31Å; T183-L221 HydrophobicContact CG2-CD1 3.53Å; T183-L221 HydrophobicContact CG2-CD2 3.57Å; T183-L221 HydrophobicContact CG2-CG 4.19Å; T208-L221 HydrophobicContact CG2-CB 4.39Å; T208-L221 PolarHBondContact OG1-O 3.3Å; V218-L221 WeakPolarHBondContact O-CB 3.36Å; V218-L221 PolarHBondContact O-N 3.47Å; V218-L221 VanDerWaalsContact O-N 3.12Å; T219-L221 PolarHBondContact O-N 2.89Å; L221-W223 VanDerWaalsContact C-N 3.27Å; L221-W223 PolarHBondContact O-N 3.3Å; L221-I224 PolarHBondContact O-N 3.36Å; L221-A225 PolarHBondContact O-N 2.94Å; L221-Y232 HydrophobicContact CB-CD2 4.26Å; L221-Y232 HydrophobicContact CB-CE2 4.22Å
222Q89.1Confident88.4Confident57 Ų5747.1 Ų47.127%0.26623%0.234SC..Hα-helixtrans-56.8-44.1174.2-69.8177.11.400111V218 T219 I224 A225 C226 Y232V218-Q222 PolarHBondContact O-N 3.47Å; V218-Q222 VanDerWaalsContact O-N 3.07Å; T219-Q222 PolarHBondContact O-N 3.46Å; Q222-I224 PolarHBondContact O-N 3.17Å; Q222-A225 PolarHBondContact O-N 2.82Å; Q222-C226 WeakPolarHBondContact O-CB 3.31Å; Q222-C226 PolarHBondContact O-N 3.28Å; Q222-C226 PolarHBondContact O-SG 3.39Å; Q222-Y232 HydrophobicContact CG-CD1 3.91Å; Q222-Y232 HydrophobicContact CG-CD2 3.67Å; Q222-Y232 HydrophobicContact CG-CE1 4.19Å; Q222-Y232 HydrophobicContact CG-CE2 3.96Å; Q222-Y232 HydrophobicContact CG-CG 3.65Å
223W90.9Very high88.6Confident66 Ų6647.2 Ų47.225%0.2523%0.234CC..Hα-helixtrans-61.7-44.5177.3-176.789.3000112.3R189 Q191 W199 T219 P220 L221 A225 C226 A227R189-W223 HydrophobicContact CB-CE3 3.81Å; R189-W223 HydrophobicContact CB-CZ3 3.85Å; R189-W223 HydrophobicContact CG-CD2 4.41Å; R189-W223 HydrophobicContact CG-CE3 3.99Å; Q191-W223 HydrophobicContact CB-CH2 3.93Å; Q191-W223 HydrophobicContact CB-CZ3 4.36Å; Q191-W223 HydrophobicContact CG-CH2 3.92Å; W199-W223 AromaticContact CH2-CH2 3.79Å; W199-W223 HydrophobicContact CH2-CH2 3.79Å; W199-W223 HydrophobicContact CH2-CZ2 4.09Å; W199-W223 HydrophobicContact CZ2-CH2 4.26Å; T219-W223 PolarHBondContact O-N 3.3Å; P220-W223 WeakPolarHBondContact O-CB 3.32Å; P220-W223 PolarHBondContact O-N 3.17Å; L221-W223 VanDerWaalsContact C-N 3.27Å; L221-W223 PolarHBondContact O-N 3.3Å; W223-A225 VanDerWaalsContact C-N 3.35Å; W223-A225 PolarHBondContact O-N 3.29Å; W223-C226 PolarHBondContact O-N 3.42Å; W223-A227 HydrophobicContact CH2-CB 4.48Å; W223-A227 HydrophobicContact CZ2-CB 4.41Å; W223-A227 WeakPolarHBondContact O-CB 3.45Å; W223-A227 PolarHBondContact O-N 3.44Å
224I92.6Very high88.9Confident0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-59-46.2178-69.6165.4000110.7F157 F194 V206 T208 P220 L221 Q222 N228F157-I224 HydrophobicContact CE2-CD1 4.32Å; F157-I224 HydrophobicContact CZ-CG2 4.12Å; F194-I224 HydrophobicContact CE2-CG1 4.14Å; F194-I224 HydrophobicContact CE2-CG2 3.95Å; F194-I224 HydrophobicContact CZ-CG2 3.66Å; V206-I224 HydrophobicContact CB-CG2 4.4Å; V206-I224 HydrophobicContact CG1-CG2 3.64Å; T208-I224 HydrophobicContact CG2-CB 4.14Å; T208-I224 HydrophobicContact CG2-CG2 3.92Å; P220-I224 VanDerWaalsContact O-CG1 3.3Å; P220-I224 WeakPolarHBondContact O-CG1 3.09Å; P220-I224 PolarHBondContact O-N 2.92Å; L221-I224 PolarHBondContact O-N 3.36Å; Q222-I224 PolarHBondContact O-N 3.17Å; I224-N228 PolarHBondContact O-N 3.39Å; I224-N228 PolarHBondContact O-ND2 3.14Å
225A91.8Very high89.3Confident0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-64-49.517900000112.2V206 T208 L221 Q222 W223 A227 N228 K229 G230V206-A225 WeakPolarHBondContact O-CA 3.49Å; T208-A225 HydrophobicContact CG2-CB 4.44Å; L221-A225 PolarHBondContact O-N 2.94Å; Q222-A225 PolarHBondContact O-N 2.82Å; W223-A225 VanDerWaalsContact C-N 3.35Å; W223-A225 PolarHBondContact O-N 3.29Å; A225-A227 VanDerWaalsContact C-N 3.35Å; A225-A227 PolarHBondContact O-N 3.31Å; A225-N228 PolarHBondContact O-N 3.3Å; A225-K229 PolarHBondContact O-N 2.72Å; A225-G230 PolarHBondContact O-N 3.46Å
226C89.9Confident89.6Confident48 Ų4836.2 Ų36.232%0.32418%0.181SC..Hα-helixtrans-62.7-39.5179.6-63.20000112.4Q222 W223 N228 C889Q222-C226 WeakPolarHBondContact O-CB 3.31Å; Q222-C226 PolarHBondContact O-N 3.28Å; Q222-C226 PolarHBondContact O-SG 3.39Å; W223-C226 PolarHBondContact O-N 3.42Å; C226-N228 VanDerWaalsContact C-N 3.25Å; C226-N228 PolarHBondContact O-N 2.85Å; C226-C889 HydrophobicContact CB-CB 3.75Å; C226-C889 WeakPolarHBondContact CB-SG 3.45Å; C226-C889 WeakPolarHBondContact SG-CB 3.49Å; C226-C889 CovalentContact SG-SG 2.02Å; C226-C889 PolarHBondContact SG-SG 3.46Å
227A90.7Very high89.7Confident15 Ų1533.1 Ų33.112%0.12418%0.178CC..Hα-helixtrans-68.7-25.4-177.600000112.8W199 K202 W223 A225W199-A227 HydrophobicContact CZ2-CB 3.86Å; K202-A227 WeakPolarHBondContact CD-O 3.08Å; K202-A227 WeakPolarHBondContact CE-O 3.36Å; K202-A227 PolarHBondContact NZ-O 2.86Å; W223-A227 HydrophobicContact CH2-CB 4.48Å; W223-A227 HydrophobicContact CZ2-CB 4.41Å; W223-A227 WeakPolarHBondContact O-CB 3.45Å; W223-A227 PolarHBondContact O-N 3.44Å; A225-A227 VanDerWaalsContact C-N 3.35Å; A225-A227 PolarHBondContact O-N 3.31Å
228N91.6Very high89.8Confident0 Ų034.1 Ų34.10%018%0.182CC..THydrogen-bonded Turntrans-115.730.7-173.1-64-70000114F194 N198 W199 R205 V206 I224 A225 C226 G230F194-N228 WeakPolarHBondContact CD1-ND2 3.31Å; N198-N228 PolarHBondContact ND2-OD1 2.74Å; W199-N228 PolarHBondContact NE1-OD1 3.03Å; W199-N228 VanDerWaalsContact NE1-OD1 3.11Å; R205-N228 WeakPolarHBondContact CA-O 3.36Å; V206-N228 HydrophobicContact CB-CB 3.78Å; V206-N228 HydrophobicContact CG2-CB 3.62Å; V206-N228 PolarHBondContact N-O 3.36Å; I224-N228 PolarHBondContact O-N 3.39Å; I224-N228 PolarHBondContact O-ND2 3.14Å; A225-N228 PolarHBondContact O-N 3.3Å; C226-N228 VanDerWaalsContact C-N 3.25Å; C226-N228 PolarHBondContact O-N 2.85Å; N228-G230 PolarHBondContact O-N 2.89Å; N228-G230 VanDerWaalsContact O-N 3.07Å
229K90.1Very high89.5Confident47 Ų4735.3 Ų35.320%0.20420%0.201CC..THydrogen-bonded Turntrans54.728175.6-49.5-175.7175.4172.90114.5K202 R205 A225 T886K202-K229 HydrophobicContact CB-CD 4.25Å; K202-K229 HydrophobicContact CB-CG 4.37Å; K202-K229 HydrophobicContact CD-CG 4.34Å; R205-K229 PolarHBondContact NH1-O 3.1Å; A225-K229 PolarHBondContact O-N 2.72Å; K229-T886 HydrophobicContact CB-CG2 4.01Å; K229-T886 HydrophobicContact CD-CG2 3.66Å; K229-T886 HydrophobicContact CG-CG2 3.56Å
230G89.9Confident89.3Confident2 Ų233.1 Ų33.12%0.02119%0.189CC..  trans-106.4-152175.600000111.8V206 A225 N228V206-G230 WeakPolarHBondContact O-CA 3.3Å; A225-G230 PolarHBondContact O-N 3.46Å; N228-G230 PolarHBondContact O-N 2.89Å; N228-G230 VanDerWaalsContact O-N 3.07Å
231Y91.7Very high89Confident40 Ų4033 Ų3316%0.15719%0.188CC..  trans-148.4147.6-175.6-156.4-97.5000111.3F207 T208 F233 V251 D888 G890F207-Y231 WeakPolarHBondContact CA-O 3.34Å; T208-Y231 PolarHBondContact N-O 3.06Å; Y231-F233 AromaticContact CD1-CD1 3.88Å; Y231-F233 HydrophobicContact CD1-CD1 3.88Å; Y231-F233 HydrophobicContact CD1-CD2 4.33Å; Y231-F233 AromaticContact CD1-CE1 3.37Å; Y231-F233 HydrophobicContact CD1-CE1 3.37Å; Y231-F233 AromaticContact CD1-CE2 3.92Å; Y231-F233 HydrophobicContact CD1-CE2 3.92Å; Y231-F233 HydrophobicContact CD1-CG 4.33Å; Y231-F233 AromaticContact CD1-CZ 3.41Å; Y231-F233 HydrophobicContact CD1-CZ 3.41Å; Y231-F233 VanDerWaalsContact CD1-CZ 3.41Å; Y231-F233 HydrophobicContact CE1-CD1 4.16Å; Y231-F233 AromaticContact CE1-CE1 3.74Å; Y231-F233 HydrophobicContact CE1-CE1 3.74Å; Y231-F233 HydrophobicContact CE1-CZ 4.21Å; Y231-F233 HydrophobicContact CG-CE1 4.45Å; Y231-F233 HydrophobicContact CG-CE2 4.46Å; Y231-F233 HydrophobicContact CG-CZ 4.11Å; Y231-V251 HydrophobicContact CD2-CG2 4.26Å; Y231-V251 HydrophobicContact CG-CG2 4.27Å; Y231-D888 WeakPolarHBondContact CD2-O 3.42Å; Y231-G890 VanDerWaalsContact CZ-CA 3.5Å
232Y92.1Very high88.6Confident14 Ų1436.2 Ų36.26%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-97.9133.9177.3169.8-95000111.1S210 V218 L221 Q222 E234 C889S210-Y232 VanDerWaalsContact CB-OH 3.27Å; S210-Y232 WeakPolarHBondContact CB-OH 3.48Å; V218-Y232 HydrophobicContact CB-CE2 4.33Å; L221-Y232 HydrophobicContact CB-CD2 4.26Å; L221-Y232 HydrophobicContact CB-CE2 4.22Å; Q222-Y232 HydrophobicContact CG-CD1 3.91Å; Q222-Y232 HydrophobicContact CG-CD2 3.67Å; Q222-Y232 HydrophobicContact CG-CE1 4.19Å; Q222-Y232 HydrophobicContact CG-CE2 3.96Å; Q222-Y232 HydrophobicContact CG-CG 3.65Å; Y232-E234 HydrophobicContact CE1-CB 4.27Å; Y232-C889 WeakPolarHBondContact CB-O 3.21Å; Y232-C889 PolarHBondContact N-O 2.86Å
233F90.5Very high88.2Confident5 Ų537.1 Ų37.12%0.02221%0.206CC..EExtended strand (participates in β ladder)trans-128.2145.6178.5-60.5-77.6000111.3F207 T208 F209 S210 Y231 N244 E247F207-F233 AromaticContact CD1-CE2 3.86Å; F207-F233 HydrophobicContact CD1-CE2 3.86Å; T208-F233 PolarHBondContact O-N 3.42Å; F209-F233 WeakPolarHBondContact CA-O 3.47Å; F209-F233 HydrophobicContact CD1-CB 3.44Å; F209-F233 VanDerWaalsContact CD1-CB 3.44Å; F209-F233 AromaticContact CD1-CD2 3.93Å; F209-F233 HydrophobicContact CD1-CD2 3.93Å; F209-F233 AromaticContact CD1-CG 4Å; F209-F233 HydrophobicContact CD1-CG 4Å; F209-F233 HydrophobicContact CE1-CB 3.58Å; F209-F233 AromaticContact CE1-CD2 3.31Å; F209-F233 HydrophobicContact CE1-CD2 3.31Å; F209-F233 HydrophobicContact CE1-CE2 4.1Å; F209-F233 AromaticContact CE1-CG 3.58Å; F209-F233 HydrophobicContact CE1-CG 3.58Å; F209-F233 HydrophobicContact CE2-CD2 4.1Å; F209-F233 HydrophobicContact CG-CB 4.27Å; F209-F233 HydrophobicContact CZ-CB 4.49Å; F209-F233 AromaticContact CZ-CD2 3.4Å; F209-F233 HydrophobicContact CZ-CD2 3.4Å; F209-F233 VanDerWaalsContact CZ-CD2 3.4Å; F209-F233 AromaticContact CZ-CE2 3.85Å; F209-F233 HydrophobicContact CZ-CE2 3.85Å; F209-F233 HydrophobicContact CZ-CG 4.17Å; S210-F233 PolarHBondContact N-O 3.3Å; Y231-F233 AromaticContact CD1-CD1 3.88Å; Y231-F233 HydrophobicContact CD1-CD1 3.88Å; Y231-F233 HydrophobicContact CD1-CD2 4.33Å; Y231-F233 AromaticContact CD1-CE1 3.37Å; Y231-F233 HydrophobicContact CD1-CE1 3.37Å; Y231-F233 AromaticContact CD1-CE2 3.92Å; Y231-F233 HydrophobicContact CD1-CE2 3.92Å; Y231-F233 HydrophobicContact CD1-CG 4.33Å; Y231-F233 AromaticContact CD1-CZ 3.41Å; Y231-F233 HydrophobicContact CD1-CZ 3.41Å; Y231-F233 VanDerWaalsContact CD1-CZ 3.41Å; Y231-F233 HydrophobicContact CE1-CD1 4.16Å; Y231-F233 AromaticContact CE1-CE1 3.74Å; Y231-F233 HydrophobicContact CE1-CE1 3.74Å; Y231-F233 HydrophobicContact CE1-CZ 4.21Å; Y231-F233 HydrophobicContact CG-CE1 4.45Å; Y231-F233 HydrophobicContact CG-CE2 4.46Å; Y231-F233 HydrophobicContact CG-CZ 4.11Å; F233-N244 HydrophobicContact CB-CB 4.43Å; F233-N244 HydrophobicContact CD1-CB 4.35Å; F233-E247 HydrophobicContact CE1-CB 3.56Å; F233-E247 HydrophobicContact CZ-CB 4.11Å
234E89.3Confident88Confident110 Ų11035.1 Ų35.151%0.51420%0.2SC..EExtended strand (participates in β ladder)trans-121.5123.2178-172-177.5162.400110.6S210 Y232 P236 N244S210-E234 CarbonylContact O-C 3.55Å; S210-E234 WeakPolarHBondContact O-CA 3.22Å; Y232-E234 HydrophobicContact CE1-CB 4.27Å; E234-P236 VanDerWaalsContact O-CD 3.29Å; E234-P236 WeakPolarHBondContact O-CD 3.06Å; E234-N244 PolarHBondContact O-ND2 3.02Å
235I89.3Confident87.4Confident0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-116.887.9-176.7-57.9179.3000109.2F182 F209 S210 V211 G212 I241 N244F182-I235 HydrophobicContact CE1-CD1 4.45Å; F209-I235 HydrophobicContact CD1-CD1 3.83Å; F209-I235 HydrophobicContact CD1-CG1 4.44Å; S210-I235 PolarHBondContact O-N 3.43Å; V211-I235 HydrophobicContact CG1-CB 4.4Å; V211-I235 HydrophobicContact CG1-CG2 4.45Å; V211-I235 HydrophobicContact CG2-CB 4.33Å; V211-I235 HydrophobicContact CG2-CD1 4.42Å; G212-I235 PolarHBondContact N-O 3.13Å; I235-I241 HydrophobicContact CG2-CB 4.43Å; I235-I241 HydrophobicContact CG2-CG1 3.49Å; I235-I241 VanDerWaalsContact CG2-CG1 3.49Å; I235-N244 HydrophobicContact CD1-CB 4.45Å; I235-N244 HydrophobicContact CG1-CB 4.1Å
236P86.6Confident86.9Confident47 Ų4735.6 Ų35.631%0.30520%0.203SC..  trans-78.6-22.2-178.730.1-36.2000113.3E234 A240E234-P236 VanDerWaalsContact O-CD 3.29Å; E234-P236 WeakPolarHBondContact O-CD 3.06Å; P236-A240 HydrophobicContact CG-CB 4.3Å
237S86.4Confident86.6Confident58 Ų5836.4 Ų36.441%0.40620%0.202SC..SBendtrans-154.3168.6-172.774.90000112.9G239 A240 I241S237-G239 VanDerWaalsContact C-N 3.28Å; S237-G239 PolarHBondContact O-N 3.2Å; S237-A240 PolarHBondContact O-N 2.98Å; S237-A240 VanDerWaalsContact O-N 3.13Å; S237-I241 PolarHBondContact O-N 3.39Å
238I84.7Confident86.5Confident105 Ų10535.7 Ų35.754%0.53820%0.196SC..Hα-helixtrans-58.5-38.4178.9-61.2174000111.9L90 A240 I241L90-I238 HydrophobicContact CD2-CB 4.46Å; L90-I238 HydrophobicContact CD2-CG1 3.49Å; L90-I238 VanDerWaalsContact CD2-CG1 3.49Å; I238-A240 VanDerWaalsContact C-N 3.26Å; I238-A240 PolarHBondContact O-N 3.01Å; I238-I241 WeakPolarHBondContact O-CB 3.33Å; I238-I241 PolarHBondContact O-N 3.06Å
239G81.4Confident86.4Confident58 Ų5836 Ų3660%0.59820%0.197SC*.Hα-helixtrans-64.5-29.7179.400000113.3S237S237-G239 VanDerWaalsContact C-N 3.28Å; S237-G239 PolarHBondContact O-N 3.2Å
240A84.7Confident86.3Confident19 Ų1936 Ų3616%0.15720%0.2CC..Hα-helixtrans-78.2-25.8178.900000113.1P236 S237 I238 R242 I243 N244P236-A240 HydrophobicContact CG-CB 4.3Å; S237-A240 PolarHBondContact O-N 2.98Å; S237-A240 VanDerWaalsContact O-N 3.13Å; I238-A240 VanDerWaalsContact C-N 3.26Å; I238-A240 PolarHBondContact O-N 3.01Å; A240-R242 VanDerWaalsContact C-N 3.27Å; A240-R242 PolarHBondContact O-N 3.39Å; A240-I243 PolarHBondContact O-N 3.21Å; A240-N244 PolarHBondContact O-N 2.83Å; A240-N244 VanDerWaalsContact O-N 3.14Å; A240-N244 PolarHBondContact O-ND2 3.05Å
241I85.9Confident86.2Confident1 Ų136.1 Ų36.11%0.00520%0.2CC..Hα-helixtrans-51.9-49.2-178.4-63.3176.9000110.6L90 T93 E97 I235 S237 I238 I243 N244 T245L90-I241 HydrophobicContact CD2-CD1 4.18Å; T93-I241 HydrophobicContact CG2-CD1 3.72Å; E97-I241 HydrophobicContact CB-CG2 3.86Å; E97-I241 HydrophobicContact CG-CG2 3.82Å; I235-I241 HydrophobicContact CG2-CB 4.43Å; I235-I241 HydrophobicContact CG2-CG1 3.49Å; I235-I241 VanDerWaalsContact CG2-CG1 3.49Å; S237-I241 PolarHBondContact O-N 3.39Å; I238-I241 WeakPolarHBondContact O-CB 3.33Å; I238-I241 PolarHBondContact O-N 3.06Å; I241-I243 VanDerWaalsContact C-N 3.26Å; I241-I243 PolarHBondContact O-N 3.21Å; I241-N244 PolarHBondContact O-N 3.35Å; I241-T245 HydrophobicContact CG2-CG2 3.85Å; I241-T245 WeakPolarHBondContact O-CB 3.28Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 2.75Å; I241-T245 PolarHBondContact O-OG1 3.37Å
242R81.3Confident86.2Confident68 Ų6834.3 Ų34.326%0.25719%0.193SC..Hα-helixtrans-63.5-29.4-173-69-176.161.3-163.5-4113.9L54 A240 Q246L54-R242 PolarHBondContact O-NH2 3.01Å; A240-R242 VanDerWaalsContact C-N 3.27Å; A240-R242 PolarHBondContact O-N 3.39Å; R242-Q246 PolarHBondContact O-NE2 2.85Å
243I81.9Confident86Confident77 Ų7733.7 Ų33.740%0.39519%0.191SC..Hα-helixtrans-86-45.6-177.9-58.8173.5000109.8A240 I241 T245 Q246A240-I243 PolarHBondContact O-N 3.21Å; I241-I243 VanDerWaalsContact C-N 3.26Å; I241-I243 PolarHBondContact O-N 3.21Å; I243-T245 PolarHBondContact O-N 3.17Å; I243-Q246 WeakPolarHBondContact O-CG 3.33Å; I243-Q246 PolarHBondContact O-N 3.31Å
244N85.4Confident85.9Confident24 Ų2434.2 Ų34.213%0.12819%0.193CC..Hα-helixtrans-75.1-28.3-174.1-62.5-19.6000112.9F233 E234 I235 A240 I241 Q246F233-N244 HydrophobicContact CB-CB 4.43Å; F233-N244 HydrophobicContact CD1-CB 4.35Å; E234-N244 PolarHBondContact O-ND2 3.02Å; I235-N244 HydrophobicContact CD1-CB 4.45Å; I235-N244 HydrophobicContact CG1-CB 4.1Å; A240-N244 PolarHBondContact O-N 2.83Å; A240-N244 VanDerWaalsContact O-N 3.14Å; A240-N244 PolarHBondContact O-ND2 3.05Å; I241-N244 PolarHBondContact O-N 3.35Å; N244-Q246 PolarHBondContact O-N 2.83Å
245T80.3Confident85.9Confident1 Ų129.2 Ų29.21%0.00617%0.17CC..THydrogen-bonded Turntrans-72.3-8.217952.10000113.8E97 M98 I241 I243 Y248E97-T245 HydrophobicContact CB-CG2 4.45Å; M98-T245 HydrophobicContact CE-CG2 3.98Å; M98-T245 WeakPolarHBondContact CE-O 3.21Å; M98-T245 VanDerWaalsContact SD-O 3.38Å; I241-T245 HydrophobicContact CG2-CG2 3.85Å; I241-T245 WeakPolarHBondContact O-CB 3.28Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 2.75Å; I241-T245 PolarHBondContact O-OG1 3.37Å; I243-T245 PolarHBondContact O-N 3.17Å; T245-Y248 VanDerWaalsContact O-CD1 3.23Å; T245-Y248 WeakPolarHBondContact O-CD1 3.3Å; T245-Y248 WeakPolarHBondContact O-CE1 3.44Å
246Q82Confident86Confident8 Ų829.5 Ų29.54%0.03717%0.171CC..THydrogen-bonded Turntrans-111.4-23.7178.456.8-179.32.200113.9D56 R242 I243 N244 Y248 L249D56-Q246 PolarHBondContact OD2-NE2 3.44Å; R242-Q246 PolarHBondContact O-NE2 2.85Å; I243-Q246 WeakPolarHBondContact O-CG 3.33Å; I243-Q246 PolarHBondContact O-N 3.31Å; N244-Q246 PolarHBondContact O-N 2.83Å; Q246-Y248 PolarHBondContact O-N 2.9Å; Q246-Y248 VanDerWaalsContact O-N 3.09Å; Q246-L249 WeakPolarHBondContact O-CB 3.46Å; Q246-L249 WeakPolarHBondContact O-CG 3.28Å; Q246-L249 PolarHBondContact O-N 3.32Å; Q246-L249 VanDerWaalsContact O-N 3.11Å
247E83.8Confident86.1Confident65 Ų6527.9 Ų27.930%0.30416%0.161SC..THydrogen-bonded Turntrans-62.7-19.2-175.5-80.7-177.5-179.600113.8F233 L249 D250F233-E247 HydrophobicContact CE1-CB 3.56Å; F233-E247 HydrophobicContact CZ-CB 4.11Å; E247-L249 PolarHBondContact O-N 2.98Å; E247-L249 VanDerWaalsContact O-N 3.16Å; E247-D250 WeakPolarHBondContact O-CB 3.33Å; E247-D250 PolarHBondContact O-N 2.99Å; E247-D250 VanDerWaalsContact O-N 3.12Å
248Y88.5Confident86.1Confident0 Ų026.3 Ų26.30%015%0.147CC..Hα-helixtrans-61-24.4175.279.9-88.9000112.9K71 M73 M98 T101 M178 M180 T245 Q246 D250 V251 L252K71-Y248 HydrophobicContact CD-CE2 4.07Å; K71-Y248 WeakPolarHBondContact CE-OH 3.3Å; M73-Y248 HydrophobicContact CE-CE2 4.1Å; M98-Y248 HydrophobicContact CE-CD1 4.26Å; M98-Y248 HydrophobicContact CE-CE1 4.4Å; M98-Y248 HydrophobicContact SD-CD1 3.94Å; M98-Y248 HydrophobicContact SD-CE1 3.5Å; M98-Y248 WeakPolarHBondContact SD-CE1 3.38Å; T101-Y248 PolarHBondContact OG1-OH 3.01Å; M178-Y248 HydrophobicContact CE-CD2 3.96Å; M178-Y248 HydrophobicContact CE-CE2 4.27Å; M178-Y248 HydrophobicContact SD-CE2 4.48Å; M180-Y248 HydrophobicContact CE-CD1 3.65Å; M180-Y248 HydrophobicContact CE-CD2 3.77Å; M180-Y248 HydrophobicContact CE-CE1 4.05Å; M180-Y248 HydrophobicContact CE-CE2 4.16Å; M180-Y248 HydrophobicContact CE-CG 3.49Å; M180-Y248 VanDerWaalsContact CE-CG 3.49Å; T245-Y248 VanDerWaalsContact O-CD1 3.23Å; T245-Y248 WeakPolarHBondContact O-CD1 3.3Å; T245-Y248 WeakPolarHBondContact O-CE1 3.44Å; Q246-Y248 PolarHBondContact O-N 2.9Å; Q246-Y248 VanDerWaalsContact O-N 3.09Å; Y248-D250 PolarHBondContact O-N 2.79Å; Y248-V251 WeakPolarHBondContact O-CB 3.48Å; Y248-V251 PolarHBondContact O-N 3.24Å; Y248-V251 VanDerWaalsContact O-N 3.11Å; Y248-L252 HydrophobicContact CD2-CD1 3.64Å; Y248-L252 HydrophobicContact CD2-CG 4.18Å; Y248-L252 HydrophobicContact CE2-CD1 3.6Å; Y248-L252 PolarHBondContact O-N 3.32Å
249L88.6Confident86.2Confident6 Ų622.6 Ų22.63%0.03113%0.132CC..Hα-helixtrans-62-32.4176.7-65.4174.5000112I64 S68 Q246 E247 V251 L252 G253I64-L249 HydrophobicContact CB-CD1 4.46Å; I64-L249 HydrophobicContact CG1-CD1 4Å; I64-L249 HydrophobicContact CG2-CD1 4.24Å; I64-L249 HydrophobicContact CG2-CD2 4.24Å; S68-L249 WeakPolarHBondContact OG-CD2 3.12Å; Q246-L249 WeakPolarHBondContact O-CB 3.46Å; Q246-L249 WeakPolarHBondContact O-CG 3.28Å; Q246-L249 PolarHBondContact O-N 3.32Å; Q246-L249 VanDerWaalsContact O-N 3.11Å; E247-L249 PolarHBondContact O-N 2.98Å; E247-L249 VanDerWaalsContact O-N 3.16Å; L249-V251 PolarHBondContact O-N 3.44Å; L249-L252 PolarHBondContact O-N 2.96Å; L249-G253 PolarHBondContact O-N 3.46Å
250D87.6Confident86.4Confident49 Ų4920.8 Ų20.826%0.26211%0.114SC..Hα-helixtrans-64.6-31.2176.9-70.7-20.4000111.7E247 Y248 R254 L308E247-D250 WeakPolarHBondContact O-CB 3.33Å; E247-D250 PolarHBondContact O-N 2.99Å; E247-D250 VanDerWaalsContact O-N 3.12Å; Y248-D250 PolarHBondContact O-N 2.79Å; D250-R254 WeakPolarHBondContact O-CG 3.32Å; D250-L308 HydrophobicContact CB-CD2 3.95Å; D250-L308 WeakPolarHBondContact O-CD2 3.36Å
251V89.1Confident86.5Confident4 Ų425.4 Ų25.42%0.02414%0.142CC..Hα-helixtrans-75.2-42.5175.4-1760000110.7F207 Y231 Y248 L249 G253 R254F207-V251 HydrophobicContact CE1-CB 4.07Å; F207-V251 HydrophobicContact CE1-CG1 4.1Å; F207-V251 HydrophobicContact CE1-CG2 4.16Å; F207-V251 HydrophobicContact CZ-CB 4.19Å; F207-V251 HydrophobicContact CZ-CG1 4.03Å; Y231-V251 HydrophobicContact CD2-CG2 4.26Å; Y231-V251 HydrophobicContact CG-CG2 4.27Å; Y248-V251 WeakPolarHBondContact O-CB 3.48Å; Y248-V251 PolarHBondContact O-N 3.24Å; Y248-V251 VanDerWaalsContact O-N 3.11Å; L249-V251 PolarHBondContact O-N 3.44Å; V251-G253 VanDerWaalsContact C-N 3.26Å; V251-G253 PolarHBondContact O-N 3.41Å; V251-R254 WeakPolarHBondContact O-CG 3.29Å; V251-R254 PolarHBondContact O-N 3.32Å
252L90.3Very high86.5Confident1 Ų133.1 Ų33.11%0.00518%0.176CC..Hα-helixtrans-69.1-24.5177.9-62.9-176.9000113K71 N176 M178 F207 Y248 L249 R254 P255K71-L252 HydrophobicContact CD-CD1 3.75Å; N176-L252 HydrophobicContact CB-CD2 4.45Å; M178-L252 HydrophobicContact SD-CD1 3.99Å; M178-L252 HydrophobicContact SD-CD2 4.42Å; F207-L252 HydrophobicContact CZ-CD2 4.48Å; Y248-L252 HydrophobicContact CD2-CD1 3.64Å; Y248-L252 HydrophobicContact CD2-CG 4.18Å; Y248-L252 HydrophobicContact CE2-CD1 3.6Å; Y248-L252 PolarHBondContact O-N 3.32Å; L249-L252 PolarHBondContact O-N 2.96Å; L252-R254 VanDerWaalsContact C-N 3.33Å; L252-P255 WeakPolarHBondContact O-CD 3.48Å
253G88.8Confident86.7Confident2 Ų230.1 Ų30.12%0.02117%0.166CC..THydrogen-bonded Turntrans-73.1-19.3176.400000114.4L249 V251 M256 V257L249-G253 PolarHBondContact O-N 3.46Å; V251-G253 VanDerWaalsContact C-N 3.26Å; V251-G253 PolarHBondContact O-N 3.41Å; G253-M256 WeakPolarHBondContact O-CB 3.01Å; G253-M256 PolarHBondContact O-N 3.36Å; G253-M256 VanDerWaalsContact O-N 3.11Å; G253-V257 WeakPolarHBondContact O-CG2 3.49Å; G253-V257 PolarHBondContact O-N 2.85Å
254R89.1Confident87Confident16 Ų1631 Ų316%0.0617%0.167CC..Hα-helixtrans-57.4-49.3-173.3-58.7172.4-177.2175.31.9113.5D250 V251 L252 M256 V257 L258 Q307 E884 N885 D888D250-R254 WeakPolarHBondContact O-CG 3.32Å; V251-R254 WeakPolarHBondContact O-CG 3.29Å; V251-R254 PolarHBondContact O-N 3.32Å; L252-R254 VanDerWaalsContact C-N 3.33Å; R254-M256 PolarHBondContact O-N 2.95Å; R254-V257 PolarHBondContact O-N 3.18Å; R254-L258 WeakPolarHBondContact O-CG 3.3Å; R254-L258 PolarHBondContact O-N 3.37Å; R254-L258 VanDerWaalsContact O-N 3.16Å; R254-Q307 WeakPolarHBondContact CA-O 3.33Å; R254-Q307 HydrophobicContact CB-CB 4.13Å; R254-Q307 HydrophobicContact CG-CB 4.06Å; R254-E884 HydrophobicContact CB-CG 4.22Å; R254-N885 PolarHBondContact NH1-O 2.83Å; R254-D888 PolarHBondContact NH2-O 3.49Å
255P89.3Confident87.1Confident4 Ų433.4 Ų33.43%0.02618%0.177CC..Hα-helixtrans-62.8-32.2178.5-20.934.4000112.9L252 L258 A259 D879 N881L252-P255 WeakPolarHBondContact O-CD 3.48Å; P255-L258 PolarHBondContact O-N 3.25Å; P255-A259 PolarHBondContact O-N 3.23Å; P255-A259 VanDerWaalsContact O-N 3.08Å; P255-D879 WeakPolarHBondContact CG-O 3.43Å; P255-N881 HydrophobicContact CB-CB 4.47Å
256M89.6Confident87.6Confident7 Ų737.6 Ų37.63%0.03420%0.203CC..Hα-helixtrans-69.5-40.7178.3-174.5177.166.600111.9G66 A67 G253 R254 L258 A259 P287 F289 I309 F878G66-M256 WeakPolarHBondContact O-CE 3.45Å; A67-M256 VanDerWaalsContact O-CE 3.24Å; A67-M256 WeakPolarHBondContact O-CE 3.44Å; G253-M256 WeakPolarHBondContact O-CB 3.01Å; G253-M256 PolarHBondContact O-N 3.36Å; G253-M256 VanDerWaalsContact O-N 3.11Å; R254-M256 PolarHBondContact O-N 2.95Å; M256-L258 VanDerWaalsContact C-N 3.31Å; M256-L258 PolarHBondContact O-N 2.89Å; M256-A259 WeakPolarHBondContact O-CB 3.29Å; M256-A259 PolarHBondContact O-N 2.78Å; M256-P287 HydrophobicContact CE-CB 4Å; M256-P287 HydrophobicContact CE-CG 4.06Å; M256-P287 HydrophobicContact SD-CG 4.36Å; M256-F289 HydrophobicContact CE-CE1 4.41Å; M256-F289 HydrophobicContact CG-CZ 4.4Å; M256-I309 HydrophobicContact CE-CG2 4.42Å; M256-F878 HydrophobicContact CB-CB 4Å; M256-F878 HydrophobicContact CB-CD2 4.39Å; M256-F878 HydrophobicContact CB-CG 4.28Å; M256-F878 HydrophobicContact CG-CD2 3.99Å; M256-F878 HydrophobicContact CG-CG 4.32Å
257V88.9Confident88Confident13 Ų1339.5 Ų39.58%0.07921%0.212CC..Hα-helixtrans-61.7-42.1173.8177.70000110.6G253 R254 A259 G260 F289 I309G253-V257 WeakPolarHBondContact O-CG2 3.49Å; G253-V257 PolarHBondContact O-N 2.85Å; R254-V257 PolarHBondContact O-N 3.18Å; V257-A259 VanDerWaalsContact C-N 3.28Å; V257-A259 PolarHBondContact O-N 2.84Å; V257-G260 PolarHBondContact O-N 2.72Å; V257-G260 VanDerWaalsContact O-N 3.08Å; V257-F289 HydrophobicContact CB-CD1 4.35Å; V257-F289 HydrophobicContact CG1-CB 4.33Å; V257-F289 HydrophobicContact CG1-CD1 4.41Å; V257-F289 HydrophobicContact CG1-CG 4.3Å; V257-F289 HydrophobicContact CG2-CD1 3.75Å; V257-F289 HydrophobicContact CG2-CE1 3.98Å; V257-F289 HydrophobicContact CG2-CG 4.44Å; V257-I309 HydrophobicContact CG2-CG2 3.73Å
258L87.4Confident88.3Confident24 Ų2440 Ų4013%0.12621%0.211CC..Hα-helixtrans-67.7-25178.4-65.3174.9000113.4R254 P255 M256 G260 I303 Q307 N881 E884R254-L258 WeakPolarHBondContact O-CG 3.3Å; R254-L258 PolarHBondContact O-N 3.37Å; R254-L258 VanDerWaalsContact O-N 3.16Å; P255-L258 PolarHBondContact O-N 3.25Å; M256-L258 VanDerWaalsContact C-N 3.31Å; M256-L258 PolarHBondContact O-N 2.89Å; L258-G260 PolarHBondContact O-N 2.76Å; L258-I303 HydrophobicContact CD2-CG2 3.34Å; L258-I303 WeakPolarHBondContact CD2-O 3.3Å; L258-Q307 HydrophobicContact CD2-CG 4.19Å; L258-N881 HydrophobicContact CB-CB 4.45Å; L258-N881 WeakPolarHBondContact CB-ND2 3.3Å; L258-N881 HydrophobicContact CD1-CB 3.77Å; L258-E884 HydrophobicContact CD1-CB 4.19Å
259A86.9Confident88.5Confident27 Ų2740.1 Ų40.122%0.22321%0.211CC..THydrogen-bonded Turntrans-68.8-11.9173.200000112.9P255 M256 V257 K262 F878P255-A259 PolarHBondContact O-N 3.23Å; P255-A259 VanDerWaalsContact O-N 3.08Å; M256-A259 WeakPolarHBondContact O-CB 3.29Å; M256-A259 PolarHBondContact O-N 2.78Å; V257-A259 VanDerWaalsContact C-N 3.28Å; V257-A259 PolarHBondContact O-N 2.84Å; A259-K262 PolarHBondContact O-N 2.81Å; A259-F878 HydrophobicContact CB-CD1 3.59Å; A259-F878 HydrophobicContact CB-CE1 3.51Å; A259-F878 HydrophobicContact CB-CZ 4.43Å
260G86.1Confident88.6Confident20 Ų2041.4 Ų41.421%0.20622%0.218CC..G310 helixtrans60.2-132.3174.300000111.8V257 L258 K262 G263 F289V257-G260 PolarHBondContact O-N 2.72Å; V257-G260 VanDerWaalsContact O-N 3.08Å; L258-G260 PolarHBondContact O-N 2.76Å; G260-K262 PolarHBondContact O-N 2.96Å; G260-K262 VanDerWaalsContact O-N 3.09Å; G260-G263 PolarHBondContact O-N 2.53Å; G260-F289 WeakPolarHBondContact O-CE2 3.08Å
261P85.9Confident88.8Confident117 Ų11739.4 Ų39.476%0.7621%0.208SC*.G310 helixtrans-55.4-30.4-178.5-25.434.1000114.4G263 K264P261-G263 PolarHBondContact O-N 3.39Å; P261-K264 PolarHBondContact O-N 2.69Å; P261-K264 VanDerWaalsContact O-N 3.15Å
262K86.6Confident88.8Confident163 Ų16339.5 Ų39.571%0.70921%0.208SC*.G310 helixtrans-66.7-27.6178.5-67.5-176.1177.4-178.40112.9A259 G260 K264 Q265 F878A259-K262 PolarHBondContact O-N 2.81Å; G260-K262 PolarHBondContact O-N 2.96Å; G260-K262 VanDerWaalsContact O-N 3.09Å; K262-K264 VanDerWaalsContact C-N 3.31Å; K262-Q265 PolarHBondContact O-NE2 2.94Å; K262-F878 WeakPolarHBondContact O-CZ 3.32Å
263G83.9Confident88.6Confident4 Ų440.8 Ų40.84%0.04121%0.213CC..G310 helixtrans-78.8-11.3175.900000113.7G260 P261 Q265G260-G263 PolarHBondContact O-N 2.53Å; P261-G263 PolarHBondContact O-N 3.39Å; G263-Q265 PolarHBondContact O-N 3.25Å
264K88.6Confident88.4Confident96 Ų9640.9 Ų40.942%0.41721%0.214SC..  trans-90.681.9176.2-64.6-170.7176.1-174.80110.2P261 K262 F289P261-K264 PolarHBondContact O-N 2.69Å; P261-K264 VanDerWaalsContact O-N 3.15Å; K262-K264 VanDerWaalsContact C-N 3.31Å; K264-F289 HydrophobicContact CD-CE2 4.34Å; K264-F289 HydrophobicContact CG-CD2 4.21Å; K264-F289 HydrophobicContact CG-CE2 3.57Å; K264-F289 HydrophobicContact CG-CZ 4.1Å
265Q87.8Confident87.8Confident75 Ų7540.9 Ų40.935%0.3522%0.217SC..  trans-118.6139.7173.8-62.2-178.820.400109.3K262 G263 Q267K262-Q265 PolarHBondContact O-NE2 2.94Å; G263-Q265 PolarHBondContact O-N 3.25Å; Q265-Q267 PolarHBondContact O-N 2.92Å
266V91.2Very high87.4Confident89 Ų8941.2 Ų41.254%0.53922%0.219SC..  trans-74123.3174.7178.90000108.3T285V266-T285 WeakPolarHBondContact CA-O 3.19Å
267Q89.9Confident86.8Confident48 Ų4842.7 Ų42.722%0.22424%0.235CC..EExtended strand (participates in β ladder)trans-115.4134174.5-61.3-171.77.700109.7Q65 Q265 T285Q65-Q267 HydrophobicContact CG-CB 4.28Å; Q65-Q267 VanDerWaalsContact CG-OE1 3.22Å; Q65-Q267 PolarHBondContact O-OE1 2.94Å; Q265-Q267 PolarHBondContact O-N 2.92Å; Q267-T285 PolarHBondContact N-O 3.48Å; Q267-T285 PolarHBondContact O-N 3.07Å; Q267-T285 PolarHBondContact O-OG1 2.82Å
268W91.3Very high86.4Confident76 Ų7644.6 Ų44.629%0.28825%0.245SC..EExtended strand (participates in β ladder)trans-96.7136.3177.6-65.995.2000110.6Q65 I282 T283 V317 Y423Q65-W268 PolarHBondContact NE2-O 3.12Å; W268-I282 HydrophobicContact CE3-CB 4.48Å; W268-I282 HydrophobicContact CE3-CD1 3.8Å; W268-I282 HydrophobicContact CE3-CG1 4.13Å; W268-I282 HydrophobicContact CZ3-CD1 4.05Å; W268-I282 HydrophobicContact CZ3-CG1 4.23Å; W268-T283 WeakPolarHBondContact CA-O 3.17Å; W268-V317 HydrophobicContact CH2-CG2 3.98Å; W268-V317 HydrophobicContact CZ3-CG2 3.86Å; W268-Y423 HydrophobicContact CB-CE2 3.87Å; W268-Y423 WeakPolarHBondContact CB-OH 3.28Å; W268-Y423 AromaticContact CG-CE2 3.97Å; W268-Y423 HydrophobicContact CG-CE2 3.97Å
269T91.8Very high86.4Confident1 Ų144.3 Ų44.31%0.00625%0.248CC..PPolyproline II helixtrans-79.9163.7178.263.80000113.1W62 Q65 T283 T285 Y423W62-T269 VanDerWaalsContact CA-CG2 3.41Å; W62-T269 HydrophobicContact CB-CG2 3.52Å; Q65-T269 VanDerWaalsContact OE1-CA 3.29Å; T269-T283 PolarHBondContact N-O 2.94Å; T269-T283 VanDerWaalsContact N-O 3.13Å; T269-T283 PolarHBondContact OG1-N 3.32Å; T269-T285 HydrophobicContact CG2-CG2 4.12Å; T269-Y423 PolarHBondContact O-OH 2.95Å
270N90.9Very high86.5Confident34 Ų3444.3 Ų44.318%0.18224%0.244CC..PPolyproline II helixtrans-60.4160.4159.9-66.7-16.5000110.6D104 Y272 D341 P362 T364D104-N270 PolarHBondContact OD2-ND2 2.98Å; N270-Y272 WeakPolarHBondContact O-CD1 3.47Å; N270-Y272 PolarHBondContact O-N 3.36Å; N270-D341 PolarHBondContact OD1-OD2 3.09Å; N270-P362 HydrophobicContact CB-CB 4.24Å; N270-T364 HydrophobicContact CB-CG2 4.2Å
271V91.2Very high86.8Confident6 Ų643.4 Ų43.44%0.03623%0.234CC..PPolyproline II helixtrans-64.5130.6176.7-179.10000109.3L280 I282 I319 L347 V363V271-L280 HydrophobicContact CG1-CB 3.91Å; V271-L280 HydrophobicContact CG1-CD1 4.2Å; V271-L280 HydrophobicContact CG1-CD2 3.81Å; V271-L280 HydrophobicContact CG1-CG 4.19Å; V271-I282 HydrophobicContact CG2-CG2 3.98Å; V271-I319 HydrophobicContact CG1-CG1 4.28Å; V271-I319 HydrophobicContact CG2-CD1 4.2Å; V271-L347 HydrophobicContact CG2-CD1 3.54Å; V271-V363 PolarHBondContact O-N 2.72Å
272Y88.6Confident87.1Confident7 Ų738.1 Ų38.13%0.02720%0.2CC..EExtended strand (participates in β ladder)trans-143.5165.8174.972.5-86.8000111W62 N270 L280 V281 T283W62-Y272 AromaticContact CD1-CZ 3.93Å; N270-Y272 WeakPolarHBondContact O-CD1 3.47Å; N270-Y272 PolarHBondContact O-N 3.36Å; Y272-L280 WeakPolarHBondContact O-CA 3.45Å; Y272-V281 HydrophobicContact CD1-CG2 4.36Å; Y272-V281 HydrophobicContact CD2-CG2 4.24Å; Y272-V281 HydrophobicContact CE1-CG2 3.93Å; Y272-V281 HydrophobicContact CE2-CG2 3.77Å; Y272-V281 PolarHBondContact N-O 3.25Å; Y272-V281 PolarHBondContact O-N 3.1Å; Y272-T283 VanDerWaalsContact CE1-OG1 3.28Å; Y272-T283 WeakPolarHBondContact CE1-OG1 3.36Å; Y272-T283 PolarHBondContact OH-OG1 3.05Å
273Q86.1Confident87.4Confident27 Ų2730.4 Ų30.413%0.12617%0.166CC..EExtended strand (participates in β ladder)trans-84.1123.4178.6-175.767.225.800111I357 F359Q273-I357 HydrophobicContact CG-CG2 3.81Å; Q273-F359 HydrophobicContact CG-CD1 4.11Å; Q273-F359 HydrophobicContact CG-CE1 4.06Å
274D85.4Confident87.9Confident5 Ų530.5 Ų30.53%0.02717%0.168CC..  trans-62.8137.8176.4175.828.9000111.5W28 L276 G277 L278 G279 V281 F359W28-D274 PolarHBondContact NE1-OD2 2.91Å; D274-L276 VanDerWaalsContact C-N 3.34Å; D274-L276 PolarHBondContact OD1-N 2.58Å; D274-L276 VanDerWaalsContact OD1-N 3.08Å; D274-L276 PolarHBondContact OD2-N 2.78Å; D274-G277 PolarHBondContact O-N 2.58Å; D274-G277 PolarHBondContact OD2-N 3.03Å; D274-L278 HydrophobicContact CB-CB 4.03Å; D274-L278 VanDerWaalsContact OD2-CB 3.27Å; D274-L278 WeakPolarHBondContact OD2-CB 3.46Å; D274-L278 VanDerWaalsContact OD2-CG 3.31Å; D274-L278 WeakPolarHBondContact OD2-CG 3.38Å; D274-L278 PolarHBondContact OD2-N 2.92Å; D274-G279 PolarHBondContact N-O 3.24Å; D274-V281 HydrophobicContact CB-CG1 3.94Å; D274-V281 HydrophobicContact CB-CG2 3.95Å; D274-F359 WeakPolarHBondContact O-CE1 3.41Å
275A77.3Confident88.1Confident16 Ų1626 Ų2613%0.13215%0.148CC..THydrogen-bonded Turntrans-70.2-29.2177.300000112.7W46 Y55 G277W46-A275 HydrophobicContact CH2-CB 4.27Å; W46-A275 HydrophobicContact CZ2-CB 4.43Å; Y55-A275 HydrophobicContact CD2-CB 4.26Å; Y55-A275 HydrophobicContact CE2-CB 3.91Å; A275-G277 VanDerWaalsContact C-N 3.33Å
276L80Confident88.5Confident11 Ų1125.9 Ų25.96%0.05815%0.148CC..THydrogen-bonded Turntrans-87.9-3.8179.9-66.4173.1000113.1W28 Y40 W46 R47 D274W28-L276 HydrophobicContact CD2-CD1 3.8Å; W28-L276 HydrophobicContact CE3-CD1 4.21Å; W28-L276 HydrophobicContact CG-CD1 4.24Å; W28-L276 HydrophobicContact CH2-CD1 4.31Å; W28-L276 HydrophobicContact CZ2-CB 3.88Å; W28-L276 HydrophobicContact CZ2-CD1 3.88Å; W28-L276 HydrophobicContact CZ3-CD1 4.43Å; Y40-L276 HydrophobicContact CD1-CD1 4.05Å; Y40-L276 HydrophobicContact CE1-CD1 4.37Å; Y40-L276 HydrophobicContact CG-CD1 4.2Å; W46-L276 HydrophobicContact CD2-CD2 4.19Å; W46-L276 HydrophobicContact CE3-CD2 3.5Å; W46-L276 VanDerWaalsContact CE3-CD2 3.5Å; W46-L276 HydrophobicContact CE3-CG 4.49Å; W46-L276 HydrophobicContact CH2-CD2 4.49Å; W46-L276 HydrophobicContact CZ3-CD2 3.67Å; W46-L276 HydrophobicContact CZ3-CG 4.19Å; R47-L276 PolarHBondContact NH1-O 2.92Å; D274-L276 VanDerWaalsContact C-N 3.34Å; D274-L276 PolarHBondContact OD1-N 2.58Å; D274-L276 VanDerWaalsContact OD1-N 3.08Å; D274-L276 PolarHBondContact OD2-N 2.78Å
277G77.7Confident88.6Confident37 Ų3721.9 Ų21.938%0.38112%0.124SC..SBendtrans88.528.4172.200000115.4D274 A275 G279D274-G277 PolarHBondContact O-N 2.58Å; D274-G277 PolarHBondContact OD2-N 3.03Å; A275-G277 VanDerWaalsContact C-N 3.33Å; G277-G279 PolarHBondContact O-N 2.85Å
278L80.5Confident88.8Confident53 Ų5321.1 Ų21.128%0.27712%0.123SC..  trans-68.9-14166.6-72.5180000114R27 W28 D274 V281R27-L278 HydrophobicContact CB-CD1 3.86Å; R27-L278 HydrophobicContact CG-CD1 4.37Å; W28-L278 HydrophobicContact CD2-CD1 4.43Å; W28-L278 HydrophobicContact CG-CD1 4Å; W28-L278 HydrophobicContact CZ2-CG 4.43Å; W28-L278 VanDerWaalsContact NE1-CG 3.27Å; D274-L278 HydrophobicContact CB-CB 4.03Å; D274-L278 VanDerWaalsContact OD2-CB 3.27Å; D274-L278 WeakPolarHBondContact OD2-CB 3.46Å; D274-L278 VanDerWaalsContact OD2-CG 3.31Å; D274-L278 WeakPolarHBondContact OD2-CG 3.38Å; D274-L278 PolarHBondContact OD2-N 2.92Å; L278-V281 HydrophobicContact CB-CG1 4.07Å; L278-V281 HydrophobicContact CD1-CG1 4.45Å
279G86.6Confident88.8Confident19 Ų1918 Ų1820%0.19611%0.111CC..  trans97.6-145-172.500000111.7D274 G277D274-G279 PolarHBondContact N-O 3.24Å; G277-G279 PolarHBondContact O-N 2.85Å
280L89.4Confident88.5Confident27 Ų2720.1 Ų20.114%0.14112%0.122CC..EExtended strand (participates in β ladder)trans-74.6127.8176.3-68.2179.6000111.1V271 Y272 I319 P354 V363V271-L280 HydrophobicContact CG1-CB 3.91Å; V271-L280 HydrophobicContact CG1-CD1 4.2Å; V271-L280 HydrophobicContact CG1-CD2 3.81Å; V271-L280 HydrophobicContact CG1-CG 4.19Å; Y272-L280 WeakPolarHBondContact O-CA 3.45Å; L280-I319 HydrophobicContact CB-CB 4.27Å; L280-I319 HydrophobicContact CB-CG1 3.84Å; L280-I319 WeakPolarHBondContact O-CG1 3.31Å; L280-I319 PolarHBondContact O-N 3.45Å; L280-P354 HydrophobicContact CD1-CG 4.03Å; L280-P354 HydrophobicContact CD2-CG 3.92Å; L280-P354 HydrophobicContact CG-CG 4.22Å; L280-V363 HydrophobicContact CD2-CG2 4.05Å
281V91.5Very high88.1Confident0 Ų024.6 Ų24.60%015%0.146CC..EExtended strand (participates in β ladder)trans-134.1157.7-179.5-59.40000111.3Y272 D274 L278 V317 A318Y272-V281 HydrophobicContact CD1-CG2 4.36Å; Y272-V281 HydrophobicContact CD2-CG2 4.24Å; Y272-V281 HydrophobicContact CE1-CG2 3.93Å; Y272-V281 HydrophobicContact CE2-CG2 3.77Å; Y272-V281 PolarHBondContact N-O 3.25Å; Y272-V281 PolarHBondContact O-N 3.1Å; D274-V281 HydrophobicContact CB-CG1 3.94Å; D274-V281 HydrophobicContact CB-CG2 3.95Å; L278-V281 HydrophobicContact CB-CG1 4.07Å; L278-V281 HydrophobicContact CD1-CG1 4.45Å; V281-V317 WeakPolarHBondContact CA-O 3.27Å; V281-A318 HydrophobicContact CG1-CB 4.46Å
282I93Very high87.3Confident7 Ų728.8 Ų28.84%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-116.9147.9158.655.1171.2000108.6W268 V271 V317 I319 I322 L347W268-I282 HydrophobicContact CE3-CB 4.48Å; W268-I282 HydrophobicContact CE3-CD1 3.8Å; W268-I282 HydrophobicContact CE3-CG1 4.13Å; W268-I282 HydrophobicContact CZ3-CD1 4.05Å; W268-I282 HydrophobicContact CZ3-CG1 4.23Å; V271-I282 HydrophobicContact CG2-CG2 3.98Å; I282-V317 HydrophobicContact CG1-CB 4Å; I282-V317 PolarHBondContact N-O 3.01Å; I282-V317 PolarHBondContact O-N 2.68Å; I282-I319 HydrophobicContact CG2-CD1 4.2Å; I282-I322 HydrophobicContact CD1-CD1 4.06Å; I282-L347 HydrophobicContact CD1-CD1 4.11Å; I282-L347 HydrophobicContact CD1-CD2 4.43Å; I282-L347 HydrophobicContact CG2-CD1 3.44Å; I282-L347 VanDerWaalsContact CG2-CD1 3.44Å
283T92.8Very high85.9Confident0 Ų032 Ų320%020%0.2CC..EExtended strand (participates in β ladder)trans-116.5127.6179.5-51.90000109.6W62 W268 T269 Y272 T285 V315 D316W62-T283 HydrophobicContact CB-CG2 4.08Å; W62-T283 HydrophobicContact CG-CG2 4.32Å; W268-T283 WeakPolarHBondContact CA-O 3.17Å; T269-T283 PolarHBondContact N-O 2.94Å; T269-T283 VanDerWaalsContact N-O 3.13Å; T269-T283 PolarHBondContact OG1-N 3.32Å; Y272-T283 VanDerWaalsContact CE1-OG1 3.28Å; Y272-T283 WeakPolarHBondContact CE1-OG1 3.36Å; Y272-T283 PolarHBondContact OH-OG1 3.05Å; T283-T285 HydrophobicContact CG2-CG2 3.8Å; T283-V315 WeakPolarHBondContact CA-O 3.39Å; T283-D316 WeakPolarHBondContact CB-OD1 3.35Å; T283-D316 WeakPolarHBondContact CG2-OD1 3.38Å; T283-D316 PolarHBondContact OG1-OD1 2.96Å
284G93.9Very high84.1Confident7 Ų736.6 Ų36.67%0.07223%0.225CC..EExtended strand (participates in β ladder)trans-82.3118.8165.800000108.7G314 V315G284-G314 WeakPolarHBondContact O-CA 3.36Å; G284-V315 PolarHBondContact N-O 2.87Å; G284-V315 PolarHBondContact O-N 3.01Å
285T94.2Very high82.4Confident1 Ų142.8 Ų42.81%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-114.8144.1-170.462.60000111.6W62 V266 Q267 T269 T283 M313W62-T285 HydrophobicContact CB-CG2 3.66Å; W62-T285 HydrophobicContact CE3-CG2 4.14Å; W62-T285 VanDerWaalsContact O-CG2 3.26Å; W62-T285 WeakPolarHBondContact O-CG2 3.4Å; V266-T285 WeakPolarHBondContact CA-O 3.19Å; Q267-T285 PolarHBondContact N-O 3.48Å; Q267-T285 PolarHBondContact O-N 3.07Å; Q267-T285 PolarHBondContact O-OG1 2.82Å; T269-T285 HydrophobicContact CG2-CG2 4.12Å; T283-T285 HydrophobicContact CG2-CG2 3.8Å; T285-M313 CarbonylContact C-O 3.53Å; T285-M313 WeakPolarHBondContact CA-O 3.3Å
286M94.4Very high81.3Confident73 Ų7346.7 Ų46.736%0.3630%0.301SS..EExtended strand (participates in β ladder)trans-146.1131176-174.5172.761.400111M313M286-M313 PolarHBondContact N-O 3.06Å; M286-M313 PolarHBondContact O-N 3.14Å
287P94.4Very high79.7Confident4 Ų448.7 Ų48.73%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-73.7143.917827.7-33.1000112.5G66 M256 F289G66-P287 WeakPolarHBondContact O-CB 3.44Å; M256-P287 HydrophobicContact CE-CB 4Å; M256-P287 HydrophobicContact CE-CG 4.06Å; M256-P287 HydrophobicContact SD-CG 4.36Å; P287-F289 HydrophobicContact CB-CD1 4.35Å; P287-F289 HydrophobicContact CB-CE1 3.68Å; P287-F289 HydrophobicContact CB-CZ 4.32Å; P287-F289 HydrophobicContact CG-CE1 3.83Å; P287-F289 HydrophobicContact CG-CZ 3.96Å
288V93.1Very high78.5Confident33 Ų3350.2 Ų50.220%0.232%0.321CS..EExtended strand (participates in β ladder)trans-107.4122.1173.8-173.90000108.9F31 I309 L310 G311 M313F31-V288 HydrophobicContact CD2-CG2 4.42Å; F31-V288 HydrophobicContact CE2-CB 4.34Å; F31-V288 HydrophobicContact CE2-CG2 4.05Å; V288-I309 CarbonylContact O-C 3.6Å; V288-I309 WeakPolarHBondContact O-CA 3.41Å; V288-L310 HydrophobicContact CB-CB 4.42Å; V288-L310 HydrophobicContact CG1-CB 4.19Å; V288-L310 HydrophobicContact CG1-CD1 4.14Å; V288-L310 PolarHBondContact O-N 3.02Å; V288-G311 PolarHBondContact N-O 2.69Å; V288-M313 HydrophobicContact CG2-CB 4.48Å; V288-M313 HydrophobicContact CG2-CG 3.67Å; V288-M313 HydrophobicContact CG2-SD 4.1Å
289F91.1Very high77.1Confident11 Ų1155.9 Ų55.95%0.04835%0.346CS..EExtended strand (participates in β ladder)trans-95145.6-177.6-55.2-31.9000111.9M256 V257 G260 K264 P287 L291 I309M256-F289 HydrophobicContact CE-CE1 4.41Å; M256-F289 HydrophobicContact CG-CZ 4.4Å; V257-F289 HydrophobicContact CB-CD1 4.35Å; V257-F289 HydrophobicContact CG1-CB 4.33Å; V257-F289 HydrophobicContact CG1-CD1 4.41Å; V257-F289 HydrophobicContact CG1-CG 4.3Å; V257-F289 HydrophobicContact CG2-CD1 3.75Å; V257-F289 HydrophobicContact CG2-CE1 3.98Å; V257-F289 HydrophobicContact CG2-CG 4.44Å; G260-F289 WeakPolarHBondContact O-CE2 3.08Å; K264-F289 HydrophobicContact CD-CE2 4.34Å; K264-F289 HydrophobicContact CG-CD2 4.21Å; K264-F289 HydrophobicContact CG-CE2 3.57Å; K264-F289 HydrophobicContact CG-CZ 4.1Å; P287-F289 HydrophobicContact CB-CD1 4.35Å; P287-F289 HydrophobicContact CB-CE1 3.68Å; P287-F289 HydrophobicContact CB-CZ 4.32Å; P287-F289 HydrophobicContact CG-CE1 3.83Å; P287-F289 HydrophobicContact CG-CZ 3.96Å; F289-L291 HydrophobicContact CB-CD2 4.31Å; F289-L291 HydrophobicContact CB-CG 4.5Å; F289-L291 PolarHBondContact O-N 2.92Å; F289-I309 HydrophobicContact CD1-CG2 4.03Å; F289-I309 HydrophobicContact CE1-CG2 4.17Å
290N87.3Confident75.1Confident44 Ų4463.3 Ų63.324%0.23537%0.373CS..  trans-79.8114.5171.2-172.2-1.8000110.2T292 L310N290-T292 PolarHBondContact OD1-N 3.39Å; N290-T292 PolarHBondContact OD1-OG1 3.19Å; N290-L310 HydrophobicContact CB-CD1 4.47Å; N290-L310 HydrophobicContact CB-CD2 3.75Å; N290-L310 HydrophobicContact CB-CG 3.83Å
291L81.9Confident73.2Confident129 Ų12966.5 Ų66.568%0.67539%0.389SS*.  trans-115.322.7-177.4-58.3177.8000112.9F289 A293F289-L291 HydrophobicContact CB-CD2 4.31Å; F289-L291 HydrophobicContact CB-CG 4.5Å; F289-L291 PolarHBondContact O-N 2.92Å; L291-A293 PolarHBondContact O-N 2.67Å; L291-A293 VanDerWaalsContact O-N 3.16Å
292T74.9Confident71.1Confident93 Ų9367.9 Ų67.957%0.57140%0.395SS*.  trans-58.2122.8179.422.30000110.8N290N290-T292 PolarHBondContact OD1-N 3.39Å; N290-T292 PolarHBondContact OD1-OG1 3.19Å
293A57.4Low69.1Low76 Ų7671.8 Ų71.863%0.62842%0.415SS*.  trans-104.8125.7176.600000109.1L291L291-A293 PolarHBondContact O-N 2.67Å; L291-A293 VanDerWaalsContact O-N 3.16Å
294D49.3Very low67.1Low122 Ų12275.4 Ų75.465%0.65243%0.434SS*.  trans-71.9142.3157.1-86.8-30.4000107.8A296 F302D294-A296 PolarHBondContact O-N 3.17Å; D294-F302 HydrophobicContact CB-CE1 3.78Å; D294-F302 HydrophobicContact CB-CZ 3.89Å; D294-F302 WeakPolarHBondContact O-CE2 3.45Å; D294-F302 WeakPolarHBondContact O-CZ 3.43Å
295S49Very low65.1Low136 Ų13681.4 Ų81.495%0.95146%0.46SS*.THydrogen-bonded Turntrans-72.59.8-172.139.80000114.8
296A54.3Low63.8Low97 Ų9784.7 Ų84.780%0.80248%0.478SS*.THydrogen-bonded Turntrans-121.3-5.8-167.100000117D294D294-A296 PolarHBondContact O-N 3.17Å
297S47.7Very low63Low54 Ų5481.6 Ų81.638%0.37846%0.463SS..SBendtrans-117.8161.1-178.4-210000112.6F302S297-F302 VanDerWaalsContact CA-CE2 3.46Å; S297-F302 VanDerWaalsContact N-CZ 3.3Å; S297-F302 WeakPolarHBondContact O-CE2 3.42Å; S297-F302 WeakPolarHBondContact OG-CE1 3.22Å; S297-F302 WeakPolarHBondContact OG-CZ 3.42Å
298S51.8Low62.5Low69 Ų6985.3 Ų85.348%0.48348%0.482SS..  trans-70.3147.3172.956.40000110.8F300 I301 F302S298-F300 PolarHBondContact O-N 3.31Å; S298-I301 PolarHBondContact O-N 2.86Å; S298-F302 WeakPolarHBondContact O-CD2 3.43Å
299Q50.3Low62.4Low172 Ų17284.2 Ų84.280%0.80448%0.475SS*.Hα-helixtrans-52.6-23.3-177.4-15616310.200114.1
300F46.4Very low62.5Low175 Ų17585.8 Ų85.877%0.76848%0.483SS*.Hα-helixtrans-81.8-30.1179.1-149-94.4000113.9S298S298-F300 PolarHBondContact O-N 3.31Å
301I47.7Very low62.7Low93 Ų9383.7 Ų83.748%0.47747%0.472SS..Hα-helixtrans-78.1-25.9178.4-67.7176.6000111S298 L304S298-I301 PolarHBondContact O-N 2.86Å; I301-L304 WeakPolarHBondContact O-CB 3.18Å; I301-L304 PolarHBondContact O-N 3.14Å
302F49.1Very low63.4Low30 Ų3077.5 Ų77.513%0.13244%0.44CS..Hα-helixtrans-75-37.5-176.6-76.7-57.8000115.7D294 S297 S298 L304 Q305D294-F302 HydrophobicContact CB-CE1 3.78Å; D294-F302 HydrophobicContact CB-CZ 3.89Å; D294-F302 WeakPolarHBondContact O-CE2 3.45Å; D294-F302 WeakPolarHBondContact O-CZ 3.43Å; S297-F302 VanDerWaalsContact CA-CE2 3.46Å; S297-F302 VanDerWaalsContact N-CZ 3.3Å; S297-F302 WeakPolarHBondContact O-CE2 3.42Å; S297-F302 WeakPolarHBondContact OG-CE1 3.22Å; S297-F302 WeakPolarHBondContact OG-CZ 3.42Å; S298-F302 WeakPolarHBondContact O-CD2 3.43Å; F302-L304 PolarHBondContact O-N 3.01Å; F302-L304 VanDerWaalsContact O-N 3.11Å; F302-Q305 PolarHBondContact O-N 3.47Å
303I50.3Low64.4Low88 Ų8875.6 Ų75.645%0.45143%0.425SS..THydrogen-bonded Turntrans-60.8-21.8176.8-64.8170.8000110.7L258L258-I303 HydrophobicContact CD2-CG2 3.34Å; L258-I303 WeakPolarHBondContact CD2-O 3.3Å
304L50.3Low66.1Low76 Ų7672.3 Ų72.340%0.39840%0.398SS..THydrogen-bonded Turntrans-75.6-21.3177.1-65165.1000114I301 F302 Q307 A883I301-L304 WeakPolarHBondContact O-CB 3.18Å; I301-L304 PolarHBondContact O-N 3.14Å; F302-L304 PolarHBondContact O-N 3.01Å; F302-L304 VanDerWaalsContact O-N 3.11Å; L304-Q307 PolarHBondContact O-NE2 2.87Å; L304-A883 HydrophobicContact CD2-CB 3.76Å; L304-A883 WeakPolarHBondContact CD2-O 3.39Å
305Q52.4Low68.3Low134 Ų13468.6 Ų68.663%0.62638%0.38SS*.THydrogen-bonded Turntrans-96.4-36.9-174.7-96.7177.8-38.400114.6F302F302-Q305 PolarHBondContact O-N 3.47Å
306N66.3Low70.3Confident69 Ų6962.4 Ų62.437%0.36934%0.336SS..  trans-115.493.2-176.7-73.3-25.1000111.1
307Q78.2Confident72.1Confident9 Ų959.9 Ų59.94%0.04231%0.311CS..  trans-107.717.7-173.5-58.8-173.5-6.800113.9R254 L258 L304 A883 N885R254-Q307 WeakPolarHBondContact CA-O 3.33Å; R254-Q307 HydrophobicContact CB-CB 4.13Å; R254-Q307 HydrophobicContact CG-CB 4.06Å; L258-Q307 HydrophobicContact CD2-CG 4.19Å; L304-Q307 PolarHBondContact O-NE2 2.87Å; Q307-A883 PolarHBondContact NE2-O 2.94Å; Q307-N885 VanDerWaalsContact NE2-N 3.19Å
308L84.8Confident74.1Confident82 Ų8257.7 Ų57.743%0.42930%0.296SS..  trans-106.2153.2-178.6-61.6-179.9000111.7D250D250-L308 HydrophobicContact CB-CD2 3.95Å; D250-L308 WeakPolarHBondContact O-CD2 3.36Å
309I90.5Very high76Confident10 Ų1054.5 Ų54.55%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-77145.3168.765.9176.2000109.6A67 M256 V257 V288 F289 G311 V312A67-I309 HydrophobicContact CB-CD1 3.68Å; M256-I309 HydrophobicContact CE-CG2 4.42Å; V257-I309 HydrophobicContact CG2-CG2 3.73Å; V288-I309 CarbonylContact O-C 3.6Å; V288-I309 WeakPolarHBondContact O-CA 3.41Å; F289-I309 HydrophobicContact CD1-CG2 4.03Å; F289-I309 HydrophobicContact CE1-CG2 4.17Å; I309-G311 VanDerWaalsContact C-N 3.28Å; I309-V312 HydrophobicContact CD1-CG2 4.28Å
310L91.8Very high77.7Confident43 Ų4350.9 Ų50.923%0.22526%0.26CS..EExtended strand (participates in β ladder)trans-73.5-28.6167-69.4176.8000111W8 A34 V288 N290W8-L310 HydrophobicContact CH2-CB 4.44Å; W8-L310 HydrophobicContact CH2-CD1 4.31Å; A34-L310 PolarHBondContact N-O 2.9Å; V288-L310 HydrophobicContact CB-CB 4.42Å; V288-L310 HydrophobicContact CG1-CB 4.19Å; V288-L310 HydrophobicContact CG1-CD1 4.14Å; V288-L310 PolarHBondContact O-N 3.02Å; N290-L310 HydrophobicContact CB-CD1 4.47Å; N290-L310 HydrophobicContact CB-CD2 3.75Å; N290-L310 HydrophobicContact CB-CG 3.83Å
311G93Very high79.6Confident0 Ų044.8 Ų44.80%023%0.234CC..EExtended strand (participates in β ladder)trans159.2-166.9-175.900000111.6G32 V288 I309G32-G311 CarbonylContact O-C 3.59Å; G32-G311 WeakPolarHBondContact O-CA 3.47Å; V288-G311 PolarHBondContact N-O 2.69Å; I309-G311 VanDerWaalsContact C-N 3.28Å
312V95.4Very high81.6Confident0 Ų042.4 Ų42.40%022%0.221CC..EExtended strand (participates in β ladder)trans-125.9132.5179.9-178.10000108.6G32 W62 Y63 A67 I309G32-V312 PolarHBondContact N-O 3.39Å; G32-V312 PolarHBondContact O-N 3.36Å; W62-V312 HydrophobicContact CE3-CB 4.47Å; W62-V312 HydrophobicContact CE3-CG1 4.02Å; W62-V312 HydrophobicContact CZ3-CB 3.96Å; W62-V312 HydrophobicContact CZ3-CG1 3.88Å; Y63-V312 HydrophobicContact CD2-CB 3.85Å; Y63-V312 HydrophobicContact CD2-CG2 3.85Å; Y63-V312 HydrophobicContact CE2-CB 4.1Å; Y63-V312 HydrophobicContact CE2-CG2 3.85Å; Y63-V312 HydrophobicContact CG-CB 4.47Å; Y63-V312 HydrophobicContact CG-CG2 4.2Å; A67-V312 HydrophobicContact CB-CG2 4.26Å; I309-V312 HydrophobicContact CD1-CG2 4.28Å
313M95.7Very high83.4Confident52 Ų5245.3 Ų45.326%0.25623%0.234SC..EExtended strand (participates in β ladder)trans-91.1141168.2-71.2-17486.200109.7L12 F16 V30 F31 T285 M286 V288L12-M313 HydrophobicContact CD2-CE 4.42Å; F16-M313 HydrophobicContact CE1-CE 3.73Å; F16-M313 HydrophobicContact CZ-CE 4.21Å; V30-M313 CarbonylContact O-C 3.52Å; V30-M313 WeakPolarHBondContact O-CA 3.04Å; F31-M313 HydrophobicContact CB-CG 4.48Å; F31-M313 HydrophobicContact CD2-CG 3.75Å; T285-M313 CarbonylContact C-O 3.53Å; T285-M313 WeakPolarHBondContact CA-O 3.3Å; M286-M313 PolarHBondContact N-O 3.06Å; M286-M313 PolarHBondContact O-N 3.14Å; V288-M313 HydrophobicContact CG2-CB 4.48Å; V288-M313 HydrophobicContact CG2-CG 3.67Å; V288-M313 HydrophobicContact CG2-SD 4.1Å
314G94.8Very high85Confident7 Ų745.7 Ų45.77%0.07223%0.232CC..EExtended strand (participates in β ladder)trans-132.5147.8177.600000111.4V30 G284V30-G314 WeakPolarHBondContact CG1-O 3.45Å; V30-G314 PolarHBondContact N-O 3.36Å; V30-G314 PolarHBondContact O-N 3.48Å; G284-G314 WeakPolarHBondContact O-CA 3.36Å
315V94Very high86.8Confident45 Ų4550.4 Ų50.427%0.27325%0.25SC..EExtended strand (participates in β ladder)trans-131128.6167.462.90000109.4L26 T283 G284L26-V315 HydrophobicContact CD2-CG2 3.73Å; T283-V315 WeakPolarHBondContact CA-O 3.39Å; G284-V315 PolarHBondContact N-O 2.87Å; G284-V315 PolarHBondContact O-N 3.01Å
316D92.1Very high88.4Confident5 Ų545.2 Ų45.23%0.02723%0.227CC..EExtended strand (participates in β ladder)trans-91.7134.3-175.9-69.7-20.2000111.9W28 T283W28-D316 HydrophobicContact CB-CB 4.29Å; W28-D316 PolarHBondContact O-N 2.99Å; T283-D316 WeakPolarHBondContact CB-OD1 3.35Å; T283-D316 WeakPolarHBondContact CG2-OD1 3.38Å; T283-D316 PolarHBondContact OG1-OD1 2.96Å
317V91.5Very high89.2Confident45 Ų4543.7 Ų43.727%0.27322%0.221SC..EExtended strand (participates in β ladder)trans-115.4116.5168.6-177.50000107.9W268 V281 I282 I322W268-V317 HydrophobicContact CH2-CG2 3.98Å; W268-V317 HydrophobicContact CZ3-CG2 3.86Å; V281-V317 WeakPolarHBondContact CA-O 3.27Å; I282-V317 HydrophobicContact CG1-CB 4Å; I282-V317 PolarHBondContact N-O 3.01Å; I282-V317 PolarHBondContact O-N 2.68Å; V317-I322 HydrophobicContact CG1-CD1 4.1Å; V317-I322 HydrophobicContact CG1-CG1 3.93Å
318A90.2Very high89.3Confident7 Ų746.8 Ų46.86%0.05824%0.241CC..EExtended strand (participates in β ladder)trans-72136.3175.600000110.5V281 N320 E321 I322V281-A318 HydrophobicContact CG1-CB 4.46Å; A318-N320 PolarHBondContact O-N 3.27Å; A318-N320 VanDerWaalsContact O-N 3.14Å; A318-E321 HydrophobicContact CB-CG 4.32Å; A318-E321 WeakPolarHBondContact O-CB 3.47Å; A318-E321 PolarHBondContact O-N 3.46Å; A318-I322 PolarHBondContact O-N 2.96Å
319I90.5Very high89.1Confident2 Ų245.3 Ų45.31%0.0123%0.23CC..Hα-helixtrans-59.8-29.2178.5-60.8-56.3000111.5V271 L280 I282 E321 I322 K323 L347 L348V271-I319 HydrophobicContact CG1-CG1 4.28Å; V271-I319 HydrophobicContact CG2-CD1 4.2Å; L280-I319 HydrophobicContact CB-CB 4.27Å; L280-I319 HydrophobicContact CB-CG1 3.84Å; L280-I319 WeakPolarHBondContact O-CG1 3.31Å; L280-I319 PolarHBondContact O-N 3.45Å; I282-I319 HydrophobicContact CG2-CD1 4.2Å; I319-E321 VanDerWaalsContact C-N 3.29Å; I319-E321 PolarHBondContact O-N 3.13Å; I319-I322 HydrophobicContact CD1-CD1 4.07Å; I319-I322 WeakPolarHBondContact O-CB 3.35Å; I319-I322 PolarHBondContact O-N 3.14Å; I319-K323 HydrophobicContact CG2-CD 4.38Å; I319-K323 HydrophobicContact CG2-CG 4.46Å; I319-K323 WeakPolarHBondContact O-CG 3.38Å; I319-K323 PolarHBondContact O-N 3.45Å; I319-L347 HydrophobicContact CD1-CD1 3.52Å; I319-L347 HydrophobicContact CD1-CG 4.36Å; I319-L348 HydrophobicContact CG2-CD1 4.23Å
320N86Confident88.7Confident97 Ų9751 Ų5152%0.51925%0.25SS..Hα-helixtrans-63.6-32175.2-70.2-9.1000112.8A318 K323 K324A318-N320 PolarHBondContact O-N 3.27Å; A318-N320 VanDerWaalsContact O-N 3.14Å; N320-K323 PolarHBondContact O-N 2.55Å; N320-K324 WeakPolarHBondContact O-CG 3.43Å; N320-K324 PolarHBondContact O-N 3.02Å; N320-K324 VanDerWaalsContact O-N 3.07Å
321E87.6Confident88.5Confident47 Ų4750.4 Ų50.422%0.2225%0.247CC..Hα-helixtrans-71.5-34.4174.6-64.4-59.2141.600111.5R27 A318 I319 K324R27-E321 IonicContact CZ-OE1 3.71Å; R27-E321 IonicContact NH2-OE1 2.7Å; R27-E321 PolarHBondContact NH2-OE1 3.49Å; A318-E321 HydrophobicContact CB-CG 4.32Å; A318-E321 WeakPolarHBondContact O-CB 3.47Å; A318-E321 PolarHBondContact O-N 3.46Å; I319-E321 VanDerWaalsContact C-N 3.29Å; I319-E321 PolarHBondContact O-N 3.13Å; E321-K324 PolarHBondContact O-N 2.91Å; E321-K324 IonicContact OE1-NZ 2.68Å; E321-K324 PolarHBondContact OE1-NZ 2.82Å; E321-K324 VanDerWaalsContact OE1-NZ 3.14Å; E321-K324 IonicContact OE2-NZ 3.12Å
322I89.4Confident88.2Confident43 Ų4350.9 Ų50.922%0.22125%0.252CS..Hα-helixtrans-67-44172.8-55.5177.9000110I282 V317 A318 I319 K324 K325 T326 L347I282-I322 HydrophobicContact CD1-CD1 4.06Å; V317-I322 HydrophobicContact CG1-CD1 4.1Å; V317-I322 HydrophobicContact CG1-CG1 3.93Å; A318-I322 PolarHBondContact O-N 2.96Å; I319-I322 HydrophobicContact CD1-CD1 4.07Å; I319-I322 WeakPolarHBondContact O-CB 3.35Å; I319-I322 PolarHBondContact O-N 3.14Å; I322-K324 VanDerWaalsContact C-N 3.3Å; I322-K324 PolarHBondContact O-N 2.75Å; I322-K325 WeakPolarHBondContact O-CB 3.43Å; I322-K325 PolarHBondContact O-N 2.91Å; I322-T326 PolarHBondContact O-N 3.26Å; I322-L347 HydrophobicContact CD1-CD2 4.45Å
323K87.1Confident87.8Confident90 Ų9051.1 Ų51.139%0.39126%0.255SS..Hα-helixtrans-57.4-39.2175.8-78173.5177.41790112.7I319 N320 K325 T326 L348I319-K323 HydrophobicContact CG2-CD 4.38Å; I319-K323 HydrophobicContact CG2-CG 4.46Å; I319-K323 WeakPolarHBondContact O-CG 3.38Å; I319-K323 PolarHBondContact O-N 3.45Å; N320-K323 PolarHBondContact O-N 2.55Å; K323-K325 PolarHBondContact O-N 3.01Å; K323-T326 CarbonylContact O-C 3.58Å; K323-T326 PolarHBondContact O-N 3.01Å; K323-T326 PolarHBondContact O-OG1 3.07Å; K323-L348 HydrophobicContact CD-CD1 4.28Å; K323-L348 HydrophobicContact CG-CD1 3.4Å
324K84Confident87.6Confident96 Ų9649.1 Ų49.142%0.41725%0.245SC..Hα-helixtrans-60.8-28.9174.9-74.8173.1178.7174.90113N320 E321 I322 T326 E479N320-K324 WeakPolarHBondContact O-CG 3.43Å; N320-K324 PolarHBondContact O-N 3.02Å; N320-K324 VanDerWaalsContact O-N 3.07Å; E321-K324 PolarHBondContact O-N 2.91Å; E321-K324 IonicContact OE1-NZ 2.68Å; E321-K324 PolarHBondContact OE1-NZ 2.82Å; E321-K324 VanDerWaalsContact OE1-NZ 3.14Å; E321-K324 IonicContact OE2-NZ 3.12Å; I322-K324 VanDerWaalsContact C-N 3.3Å; I322-K324 PolarHBondContact O-N 2.75Å; K324-T326 VanDerWaalsContact C-N 3.33Å; K324-E479 WeakPolarHBondContact CE-OE1 3.17Å
325K86.8Confident87.5Confident176 Ų17649 Ų4977%0.76524%0.243SC*.Hα-helixtrans-79.9-15.3175.2-59.1-61-176-176.90113I322 K323 P327I322-K325 WeakPolarHBondContact O-CB 3.43Å; I322-K325 PolarHBondContact O-N 2.91Å; K323-K325 PolarHBondContact O-N 3.01Å; K325-P327 VanDerWaalsContact O-CD 3.29Å; K325-P327 WeakPolarHBondContact O-CD 3.48Å
326T86.8Confident87.5Confident25 Ų2548.8 Ų48.815%0.15324%0.238CC..SBendtrans-119.365.9179.157.10000111.9I322 K323 K324 T328 T337I322-T326 PolarHBondContact O-N 3.26Å; K323-T326 CarbonylContact O-C 3.58Å; K323-T326 PolarHBondContact O-N 3.01Å; K323-T326 PolarHBondContact O-OG1 3.07Å; K324-T326 VanDerWaalsContact C-N 3.33Å; T326-T328 PolarHBondContact O-N 2.86Å; T326-T328 VanDerWaalsContact O-N 3.1Å; T326-T337 VanDerWaalsContact CB-OG1 3.3Å; T326-T337 WeakPolarHBondContact CB-OG1 3.32Å; T326-T337 HydrophobicContact CG2-CG2 4.3Å; T326-T337 PolarHBondContact OG1-OG1 2.86Å
327P82.1Confident87.7Confident37 Ų3749.3 Ų49.324%0.2424%0.241CC..  trans-61.3115.2-175.424.8-34.1000111.9K325 Y329 R330K325-P327 VanDerWaalsContact O-CD 3.29Å; K325-P327 WeakPolarHBondContact O-CD 3.48Å; P327-Y329 VanDerWaalsContact C-N 3.32Å; P327-Y329 HydrophobicContact CB-CD1 3.78Å; P327-Y329 HydrophobicContact CB-CE1 3.26Å; P327-Y329 HydrophobicContact CG-CE1 4.45Å; P327-Y329 PolarHBondContact O-N 2.89Å; P327-R330 HydrophobicContact CG-CG 4.41Å
328T82.2Confident87.8Confident74 Ų7447.2 Ų47.245%0.45423%0.229SC..G310 helixtrans-68.2-30.6-178.449.70000112.7T326 R330 L331 G332T326-T328 PolarHBondContact O-N 2.86Å; T326-T328 VanDerWaalsContact O-N 3.1Å; T328-R330 PolarHBondContact O-N 2.03Å; T328-R330 VanDerWaalsContact O-N 3.08Å; T328-L331 WeakPolarHBondContact O-CB 3.33Å; T328-L331 PolarHBondContact O-N 3.16Å; T328-G332 PolarHBondContact O-N 3.13Å
329Y80.3Confident88Confident51 Ų5147.2 Ų47.220%0.223%0.229CC..G310 helixtrans-64-17.9-177.266.9-95000114.6P327 L331 D512 L515P327-Y329 VanDerWaalsContact C-N 3.32Å; P327-Y329 HydrophobicContact CB-CD1 3.78Å; P327-Y329 HydrophobicContact CB-CE1 3.26Å; P327-Y329 HydrophobicContact CG-CE1 4.45Å; P327-Y329 PolarHBondContact O-N 2.89Å; Y329-L331 VanDerWaalsContact C-N 3.34Å; Y329-D512 PolarHBondContact OH-OD2 2.82Å; Y329-L515 HydrophobicContact CD1-CD1 4.32Å; Y329-L515 HydrophobicContact CD1-CD2 4.39Å; Y329-L515 HydrophobicContact CD2-CD1 4.31Å; Y329-L515 HydrophobicContact CD2-CD2 3.36Å; Y329-L515 HydrophobicContact CD2-CG 3.88Å; Y329-L515 HydrophobicContact CE1-CD1 3.95Å; Y329-L515 HydrophobicContact CE1-CG 4.5Å; Y329-L515 HydrophobicContact CE2-CD1 3.92Å; Y329-L515 HydrophobicContact CE2-CD2 3.63Å; Y329-L515 HydrophobicContact CE2-CG 3.57Å; Y329-L515 HydrophobicContact CG-CD2 3.79Å; Y329-L515 HydrophobicContact CG-CG 4.47Å
330R82.3Confident88.2Confident128 Ų12847.1 Ų47.148%0.48323%0.228SC..G310 helixtrans-82.1-15.2173.6-61.1-171.5-179.4-173.5-2.6113.3P327 T328 D512P327-R330 HydrophobicContact CG-CG 4.41Å; T328-R330 PolarHBondContact O-N 2.03Å; T328-R330 VanDerWaalsContact O-N 3.08Å; R330-D512 IonicContact NH2-OD2 3.64Å
331L86.8Confident88.5Confident31 Ų3143 Ų4316%0.16221%0.207CC..THydrogen-bonded Turntrans-96.8-13.3-175.6-50.8177.3000112.1T328 Y329 T337 L427 L429 S433T328-L331 WeakPolarHBondContact O-CB 3.33Å; T328-L331 PolarHBondContact O-N 3.16Å; Y329-L331 VanDerWaalsContact C-N 3.34Å; L331-T337 HydrophobicContact CD1-CG2 3.97Å; L331-L427 HydrophobicContact CD1-CD1 3.58Å; L331-L427 HydrophobicContact CD2-CD1 3.82Å; L331-L427 HydrophobicContact CG-CD1 4.28Å; L331-L429 HydrophobicContact CB-CD2 3.87Å; L331-L429 HydrophobicContact CD2-CD2 4.23Å; L331-S433 WeakPolarHBondContact O-CB 3.05Å
332G86.8Confident88.6Confident10 Ų1042.1 Ų42.110%0.10321%0.205CC..  trans81.5167.6-170.600000112.9T328 N334 G335T328-G332 PolarHBondContact O-N 3.13Å; G332-N334 VanDerWaalsContact C-N 3.31Å; G332-N334 PolarHBondContact O-N 3.26Å; G332-G335 PolarHBondContact O-N 3.07Å
333A87.6Confident88.6Confident6 Ų640.6 Ų40.65%0.0520%0.197CC..THydrogen-bonded Turntrans-55.1-39.6-170.900000115.7F574 Y579 R580 L583A333-F574 HydrophobicContact CB-CB 4.38Å; A333-F574 HydrophobicContact CB-CD1 3.3Å; A333-F574 HydrophobicContact CB-CE1 3.73Å; A333-F574 HydrophobicContact CB-CG 3.96Å; A333-Y579 HydrophobicContact CB-CD1 3.71Å; A333-Y579 HydrophobicContact CB-CE1 3.57Å; A333-R580 HydrophobicContact CB-CG 4.44Å; A333-L583 HydrophobicContact CB-CD1 3.82Å
334N91.6Very high88.8Confident9 Ų936.3 Ų36.35%0.04818%0.178CC..THydrogen-bonded Turntrans-961.8-178.7-60.5-18.5000112.6G332 R411 P430 Y432 R580 D584G332-N334 VanDerWaalsContact C-N 3.31Å; G332-N334 PolarHBondContact O-N 3.26Å; N334-R411 VanDerWaalsContact CB-NH2 3.28Å; N334-R411 PolarHBondContact O-NH1 2.77Å; N334-P430 HydrophobicContact CB-CG 4.29Å; N334-Y432 PolarHBondContact ND2-OH 2.8Å; N334-R580 PolarHBondContact ND2-O 3.12Å; N334-R580 WeakPolarHBondContact OD1-CA 3.24Å; N334-R580 WeakPolarHBondContact OD1-CB 3.43Å; N334-R580 WeakPolarHBondContact OD1-CD 3.06Å; N334-R580 WeakPolarHBondContact OD1-CG 3.44Å; N334-D584 VanDerWaalsContact ND2-CG 3.3Å; N334-D584 PolarHBondContact ND2-OD1 3.41Å
335G92.9Very high89.3Confident4 Ų432.9 Ų32.94%0.04116%0.163CC..  trans-89.2135.8173.900000110.7G332 V428G332-G335 PolarHBondContact O-N 3.07Å; G335-V428 VanDerWaalsContact CA-O 3.26Å; G335-V428 WeakPolarHBondContact CA-O 3.29Å
336Y93.6Very high89.6Confident42 Ų4224.7 Ų24.717%0.16513%0.127CC..EExtended strand (participates in β ladder)trans-149.615617861.3-84.2000112.1F338 H349 P350 E371 V428Y336-F338 HydrophobicContact CD2-CD1 4.47Å; Y336-F338 HydrophobicContact CE2-CD1 4.17Å; Y336-H349 AromaticContact CE2-NE2 3.63Å; Y336-P350 HydrophobicContact CD2-CG 3.82Å; Y336-P350 HydrophobicContact CG-CG 3.76Å; Y336-E371 VanDerWaalsContact OH-CD 3.25Å; Y336-E371 PolarHBondContact OH-OE1 3.35Å; Y336-V428 HydrophobicContact CD1-CB 4.05Å; Y336-V428 HydrophobicContact CD1-CG1 4.48Å; Y336-V428 HydrophobicContact CD2-CB 4.39Å; Y336-V428 HydrophobicContact CD2-CG2 4.24Å; Y336-V428 HydrophobicContact CE1-CB 3.66Å; Y336-V428 HydrophobicContact CE1-CG1 3.77Å; Y336-V428 HydrophobicContact CE1-CG2 4.07Å; Y336-V428 HydrophobicContact CE2-CB 4.05Å; Y336-V428 HydrophobicContact CE2-CG2 3.61Å; Y336-V428 HydrophobicContact CG-CB 4.39Å; Y336-V428 PolarHBondContact N-O 3.43Å; Y336-V428 PolarHBondContact O-N 2.82Å
337T94.8Very high89.9Confident16 Ų1624.1 Ų24.110%0.09812%0.124CC..EExtended strand (participates in β ladder)trans-99.8147.4169.350.60000109.5T326 L331 L348 G426 L427T326-T337 VanDerWaalsContact CB-OG1 3.3Å; T326-T337 WeakPolarHBondContact CB-OG1 3.32Å; T326-T337 HydrophobicContact CG2-CG2 4.3Å; T326-T337 PolarHBondContact OG1-OG1 2.86Å; L331-T337 HydrophobicContact CD1-CG2 3.97Å; T337-L348 WeakPolarHBondContact OG1-CD2 3.41Å; T337-G426 CarbonylContact C-O 3.55Å; T337-G426 WeakPolarHBondContact CA-O 3.36Å; T337-L427 HydrophobicContact CG2-CD1 3.78Å
338F95.1Very high90.3Very high0 Ų022.8 Ų22.80%011%0.114CC..EExtended strand (participates in β ladder)trans-139.4154.9171.669.1-80.3000109.4Y336 T340 L348 F367 M384 Y413 G426 V428Y336-F338 HydrophobicContact CD2-CD1 4.47Å; Y336-F338 HydrophobicContact CE2-CD1 4.17Å; F338-T340 HydrophobicContact CD2-CG2 3.96Å; F338-T340 HydrophobicContact CE2-CG2 4.06Å; F338-L348 CarbonylContact C-O 3.57Å; F338-L348 WeakPolarHBondContact CA-O 3.38Å; F338-L348 VanDerWaalsContact CB-O 3.29Å; F338-L348 WeakPolarHBondContact CB-O 3.42Å; F338-F367 AromaticContact CD2-CD2 3.97Å; F338-F367 HydrophobicContact CD2-CD2 3.97Å; F338-F367 AromaticContact CD2-CE2 3.98Å; F338-F367 HydrophobicContact CD2-CE2 3.98Å; F338-F367 AromaticContact CE2-CD2 3.92Å; F338-F367 HydrophobicContact CE2-CD2 3.92Å; F338-F367 AromaticContact CE2-CE2 3.67Å; F338-F367 HydrophobicContact CE2-CE2 3.67Å; F338-F367 HydrophobicContact CE2-CZ 4.22Å; F338-F367 HydrophobicContact CZ-CE2 4.02Å; F338-F367 HydrophobicContact CZ-CZ 4.3Å; F338-M384 HydrophobicContact CD2-CE 4.29Å; F338-M384 HydrophobicContact CE2-CE 3.54Å; F338-M384 HydrophobicContact CE2-SD 3.63Å; F338-M384 HydrophobicContact CZ-CE 4Å; F338-M384 HydrophobicContact CZ-SD 3.79Å; F338-Y413 AromaticContact CE1-CD1 3.97Å; F338-Y413 HydrophobicContact CE1-CD1 3.97Å; F338-Y413 HydrophobicContact CE1-CE1 4.28Å; F338-Y413 HydrophobicContact CZ-CD1 4.07Å; F338-Y413 HydrophobicContact CZ-CE1 4.46Å; F338-G426 PolarHBondContact N-O 3.35Å; F338-G426 WeakPolarHBondContact O-CA 3.31Å; F338-G426 PolarHBondContact O-N 2.83Å; F338-G426 VanDerWaalsContact O-O 3.06Å; F338-V428 HydrophobicContact CD1-CG2 3.77Å; F338-V428 HydrophobicContact CE1-CG2 3.49Å; F338-V428 VanDerWaalsContact CE1-CG2 3.49Å
339A94.7Very high90.9Very high8 Ų819.6 Ų19.67%0.0669%0.094CC..EExtended strand (participates in β ladder)trans-132.3138.8177.400000109V346 L347 L348 S424 L425A339-V346 CarbonylContact O-C 3.52Å; A339-V346 VanDerWaalsContact O-CA 3.3Å; A339-V346 WeakPolarHBondContact O-CA 3.4Å; A339-L347 HydrophobicContact CB-CB 3.99Å; A339-L347 HydrophobicContact CB-CD2 4.24Å; A339-L347 HydrophobicContact CB-CG 4.42Å; A339-L347 PolarHBondContact O-N 3.35Å; A339-L348 HydrophobicContact CB-CB 4.03Å; A339-L348 PolarHBondContact N-O 3.36Å; A339-S424 CarbonylContact C-O 3.52Å; A339-S424 VanDerWaalsContact CA-O 3.3Å; A339-S424 WeakPolarHBondContact CA-O 3.25Å; A339-L425 HydrophobicContact CB-CD1 4.15Å
340T94.4Very high91.3Very high0 Ų019 Ų190%010%0.097CC..EExtended strand (participates in β ladder)trans-121.6147.8-179.563.20000111F338 Y345 V346 F367 M384 Y423 S424F338-T340 HydrophobicContact CD2-CG2 3.96Å; F338-T340 HydrophobicContact CE2-CG2 4.06Å; T340-Y345 CarbonylContact C-O 3.59Å; T340-Y345 VanDerWaalsContact CA-O 3.28Å; T340-Y345 WeakPolarHBondContact CA-O 3.28Å; T340-V346 HydrophobicContact CG2-CG1 4.38Å; T340-F367 HydrophobicContact CG2-CB 4.27Å; T340-M384 HydrophobicContact CG2-CE 4.14Å; T340-Y423 WeakPolarHBondContact O-CA 3.45Å; T340-S424 PolarHBondContact N-O 3.2Å; T340-S424 PolarHBondContact O-N 2.85Å
341D92Very high91.6Very high11 Ų1116.7 Ų16.76%0.0599%0.094CC..  trans-87175.2168.979.5-5.1000111.6N270 N343 G344 Y345 Y423N270-D341 PolarHBondContact OD1-OD2 3.09Å; D341-N343 PolarHBondContact O-N 3.39Å; D341-N343 VanDerWaalsContact OD1-C 3.29Å; D341-N343 VanDerWaalsContact OD1-CA 3.31Å; D341-N343 WeakPolarHBondContact OD1-CA 3.38Å; D341-N343 WeakPolarHBondContact OD1-CB 3.45Å; D341-N343 PolarHBondContact OD1-N 3.47Å; D341-G344 PolarHBondContact O-N 3.17Å; D341-G344 VanDerWaalsContact O-N 3.13Å; D341-G344 PolarHBondContact OD1-N 3.29Å; D341-Y345 PolarHBondContact N-O 3.37Å; D341-Y345 PolarHBondContact OD1-N 3.04Å; D341-Y345 WeakPolarHBondContact OD2-CD2 3.4Å; D341-Y423 HydrophobicContact CB-CD1 4.07Å; D341-Y423 HydrophobicContact CB-CE1 3.89Å
342P90.3Very high91.6Very high28 Ų2815.7 Ų15.718%0.1829%0.089CC..THydrogen-bonded Turntrans-66.4-12.8174.7-23.535.7000115.3I385 N422 K872P342-I385 VanDerWaalsContact O-CG2 3.27Å; P342-I385 WeakPolarHBondContact O-CG2 3.48Å; P342-N422 WeakPolarHBondContact CD-O 3.2Å; P342-N422 HydrophobicContact CG-CB 3.54Å; P342-N422 WeakPolarHBondContact CG-O 3.48Å; P342-K872 HydrophobicContact CB-CB 4.45Å; P342-K872 WeakPolarHBondContact CB-O 3.38Å; P342-K872 PolarHBondContact O-N 3.37Å
343N89.6Confident91.3Very high11 Ų1122 Ų226%0.05911%0.109CC..THydrogen-bonded Turntrans-88.2-14.9174.3-71.6-46.9000112.1D105 D341 Y345 R381D105-N343 PolarHBondContact OD1-ND2 3.3Å; D105-N343 PolarHBondContact OD1-OD1 2.97Å; D341-N343 PolarHBondContact O-N 3.39Å; D341-N343 VanDerWaalsContact OD1-C 3.29Å; D341-N343 VanDerWaalsContact OD1-CA 3.31Å; D341-N343 WeakPolarHBondContact OD1-CA 3.38Å; D341-N343 WeakPolarHBondContact OD1-CB 3.45Å; D341-N343 PolarHBondContact OD1-N 3.47Å; N343-Y345 HydrophobicContact CB-CD2 3.72Å; N343-Y345 HydrophobicContact CB-CE2 3.75Å; N343-R381 PolarHBondContact O-NH2 3.04Å
344G91.3Very high90.5Very high0 Ų023.8 Ų23.80%012%0.12CC..SBendtrans92.72.9-175.700000114.6D341 F367D341-G344 PolarHBondContact O-N 3.17Å; D341-G344 VanDerWaalsContact O-N 3.13Å; D341-G344 PolarHBondContact OD1-N 3.29Å; G344-F367 PolarHBondContact O-N 2.83Å; G344-F367 VanDerWaalsContact O-N 3.07Å
345Y93.4Very high89.5Confident24 Ų2428.9 Ų28.99%0.09414%0.142CC..BIsolated β-bridgetrans-70142.3173.6-58-50.9000111.5D104 Q129 T340 D341 N343 T364 L365 D366D104-Y345 HydrophobicContact CB-CE2 3.86Å; Q129-Y345 PolarHBondContact NE2-OH 3.48Å; T340-Y345 CarbonylContact C-O 3.59Å; T340-Y345 VanDerWaalsContact CA-O 3.28Å; T340-Y345 WeakPolarHBondContact CA-O 3.28Å; D341-Y345 PolarHBondContact N-O 3.37Å; D341-Y345 PolarHBondContact OD1-N 3.04Å; D341-Y345 WeakPolarHBondContact OD2-CD2 3.4Å; N343-Y345 HydrophobicContact CB-CD2 3.72Å; N343-Y345 HydrophobicContact CB-CE2 3.75Å; Y345-T364 HydrophobicContact CD2-CG2 4.26Å; Y345-T364 HydrophobicContact CE2-CG2 4.25Å; Y345-L365 CarbonylContact C-O 3.6Å; Y345-L365 VanDerWaalsContact CA-O 3.29Å; Y345-L365 WeakPolarHBondContact CA-O 3.42Å; Y345-D366 HydrophobicContact CD1-CB 4.43Å
346V94.2Very high88.2Confident3 Ų331.4 Ų31.42%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-83.1122177.9-67.70000111.1A339 T340 H349 L352 L365 F367 A370A339-V346 CarbonylContact O-C 3.52Å; A339-V346 VanDerWaalsContact O-CA 3.3Å; A339-V346 WeakPolarHBondContact O-CA 3.4Å; T340-V346 HydrophobicContact CG2-CG1 4.38Å; V346-H349 HydrophobicContact CB-CB 4.06Å; V346-H349 HydrophobicContact CG1-CB 4.35Å; V346-H349 HydrophobicContact CG2-CB 3.99Å; V346-L352 HydrophobicContact CG2-CD1 4.33Å; V346-L365 HydrophobicContact CG2-CB 4.02Å; V346-L365 HydrophobicContact CG2-CD2 4.22Å; V346-L365 HydrophobicContact CG2-CG 4.23Å; V346-L365 VanDerWaalsContact CG2-O 3.32Å; V346-L365 WeakPolarHBondContact CG2-O 3.32Å; V346-L365 PolarHBondContact N-O 3.08Å; V346-F367 HydrophobicContact CG1-CB 3.87Å; V346-F367 HydrophobicContact CG1-CD2 4.34Å; V346-A370 HydrophobicContact CG2-CB 4.32Å
347L92.3Very high86.8Confident14 Ų1434.6 Ų34.67%0.07317%0.173CC..EExtended strand (participates in β ladder)trans-78.2-41.1168.9172.362.9000111V271 I282 I319 I322 A339 Y423V271-L347 HydrophobicContact CG2-CD1 3.54Å; I282-L347 HydrophobicContact CD1-CD1 4.11Å; I282-L347 HydrophobicContact CD1-CD2 4.43Å; I282-L347 HydrophobicContact CG2-CD1 3.44Å; I282-L347 VanDerWaalsContact CG2-CD1 3.44Å; I319-L347 HydrophobicContact CD1-CD1 3.52Å; I319-L347 HydrophobicContact CD1-CG 4.36Å; I322-L347 HydrophobicContact CD1-CD2 4.45Å; A339-L347 HydrophobicContact CB-CB 3.99Å; A339-L347 HydrophobicContact CB-CD2 4.24Å; A339-L347 HydrophobicContact CB-CG 4.42Å; A339-L347 PolarHBondContact O-N 3.35Å; L347-Y423 HydrophobicContact CD2-CD1 4.1Å; L347-Y423 HydrophobicContact CD2-CD2 4.42Å; L347-Y423 HydrophobicContact CD2-CE1 4.09Å; L347-Y423 HydrophobicContact CD2-CE2 4.4Å; L347-Y423 HydrophobicContact CD2-CG 4.27Å
348L91.3Very high85.4Confident8 Ų836.5 Ų36.54%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-132.3126-179.3-177.884000107.8I319 K323 T337 F338 A339I319-L348 HydrophobicContact CG2-CD1 4.23Å; K323-L348 HydrophobicContact CD-CD1 4.28Å; K323-L348 HydrophobicContact CG-CD1 3.4Å; T337-L348 WeakPolarHBondContact OG1-CD2 3.41Å; F338-L348 CarbonylContact C-O 3.57Å; F338-L348 WeakPolarHBondContact CA-O 3.38Å; F338-L348 VanDerWaalsContact CB-O 3.29Å; F338-L348 WeakPolarHBondContact CB-O 3.42Å; A339-L348 HydrophobicContact CB-CB 4.03Å; A339-L348 PolarHBondContact N-O 3.36Å
349H93Very high84Confident7 Ų740.7 Ų40.73%0.03220%0.201CC..  trans-161.4146.8170.3-166-98.6000110.3Y336 V346 N351 L352 E371Y336-H349 AromaticContact CE2-NE2 3.63Å; V346-H349 HydrophobicContact CB-CB 4.06Å; V346-H349 HydrophobicContact CG1-CB 4.35Å; V346-H349 HydrophobicContact CG2-CB 3.99Å; H349-N351 WeakPolarHBondContact ND1-CB 3.34Å; H349-N351 PolarHBondContact ND1-N 2.9Å; H349-N351 PolarHBondContact O-N 3.28Å; H349-L352 HydrophobicContact CB-CB 4.21Å; H349-L352 WeakPolarHBondContact O-CB 3.39Å; H349-L352 PolarHBondContact O-N 2.87Å; H349-L352 VanDerWaalsContact O-N 3.1Å; H349-E371 IonicContact NE2-OE1 3.14Å; H349-E371 PolarHBondContact NE2-OE1 3.14Å
350P89.2Confident82.6Confident40 Ų4047 Ų4726%0.2622%0.223SC..THydrogen-bonded Turntrans-57.1-32.9175.5-27.135.5000114.3Y336 R353Y336-P350 HydrophobicContact CD2-CG 3.82Å; Y336-P350 HydrophobicContact CG-CG 3.76Å; P350-R353 PolarHBondContact O-NE 3.08Å
351N89.1Confident81.7Confident79 Ų7949.8 Ų49.842%0.42224%0.236SC..THydrogen-bonded Turntrans-87.30.3179.9-58-17.5000113.7H349 R353 A370 Q720H349-N351 WeakPolarHBondContact ND1-CB 3.34Å; H349-N351 PolarHBondContact ND1-N 2.9Å; H349-N351 PolarHBondContact O-N 3.28Å; N351-R353 PolarHBondContact O-N 2.95Å; N351-R353 VanDerWaalsContact O-N 3.11Å; N351-A370 PolarHBondContact ND2-O 2.98Å; N351-Q720 PolarHBondContact O-OE1 2.96Å
352L87.7Confident81.3Confident9 Ų950.1 Ų50.15%0.04724%0.239CC..  trans-81.289.1174.2-175.269.1000109.5V346 H349 V363 L365V346-L352 HydrophobicContact CG2-CD1 4.33Å; H349-L352 HydrophobicContact CB-CB 4.21Å; H349-L352 WeakPolarHBondContact O-CB 3.39Å; H349-L352 PolarHBondContact O-N 2.87Å; H349-L352 VanDerWaalsContact O-N 3.1Å; L352-V363 HydrophobicContact CD1-CG1 4.04Å; L352-L365 HydrophobicContact CD1-CB 3.93Å; L352-L365 HydrophobicContact CD1-CD2 4.15Å
353R80.4Confident81.1Confident142 Ų14250 Ų5054%0.53624%0.238SC..  trans-137.886.6-176-61.6-178-172-165.7-3.6110.6P350 N351 K355 Q720P350-R353 PolarHBondContact O-NE 3.08Å; N351-R353 PolarHBondContact O-N 2.95Å; N351-R353 VanDerWaalsContact O-N 3.11Å; R353-K355 PolarHBondContact O-N 3.22Å; R353-Q720 PolarHBondContact O-OE1 2.89Å
354P70.6Confident81Confident44 Ų4451.1 Ų51.129%0.28625%0.245SC..  trans-65121.7177.428.2-34.5000110.2L280 V363L280-P354 HydrophobicContact CD1-CG 4.03Å; L280-P354 HydrophobicContact CD2-CG 3.92Å; L280-P354 HydrophobicContact CG-CG 4.22Å; P354-V363 HydrophobicContact CB-CG1 4.27Å; P354-V363 HydrophobicContact CB-CG2 4.4Å
355K70.4Confident81Confident117 Ų11751.7 Ų51.751%0.50925%0.248SC..SBendtrans-81.2-21.6178-60.1178.7-172.9160.70112.7R353 D718 Q720 V722R353-K355 PolarHBondContact O-N 3.22Å; K355-D718 IonicContact NZ-OD2 3.71Å; K355-D718 PolarHBondContact NZ-OD2 3.43Å; K355-Q720 VanDerWaalsContact CB-O 3.26Å; K355-Q720 WeakPolarHBondContact CB-O 3.37Å; K355-Q720 VanDerWaalsContact CD-O 3.28Å; K355-Q720 WeakPolarHBondContact CD-O 3.5Å; K355-Q720 WeakPolarHBondContact CG-O 3.14Å; K355-V722 HydrophobicContact CB-CG2 3.54Å; K355-V722 HydrophobicContact CD-CG2 4.28Å
356I66Low80.9Confident56 Ų5651 Ų5129%0.28725%0.246SC..SBendtrans-119.1137.5177.2-69.4164.7000110.8N358 V722I356-N358 PolarHBondContact O-N 3.28Å; I356-V722 HydrophobicContact CD1-CB 4.35Å; I356-V722 HydrophobicContact CD1-CG1 4.08Å; I356-V722 HydrophobicContact CD1-CG2 3.73Å; I356-V722 HydrophobicContact CG1-CG2 3.75Å
357I63Low80.9Confident110 Ų11050.9 Ų50.956%0.56425%0.245SC*.  trans-83.497.1174.2-58.7177000108.2Q273 F359Q273-I357 HydrophobicContact CG-CG2 3.81Å; I357-F359 HydrophobicContact CG2-CD1 4.29Å; I357-F359 HydrophobicContact CG2-CD2 4.48Å; I357-F359 HydrophobicContact CG2-CE1 3.64Å; I357-F359 HydrophobicContact CG2-CE2 3.85Å; I357-F359 HydrophobicContact CG2-CZ 3.39Å
358N66.8Low80.9Confident56 Ų5650.5 Ų50.530%0.29924%0.243SC..  trans-107.4117.2166.9-172.5-7.1000109.4I356 R360 E361I356-N358 PolarHBondContact O-N 3.28Å; N358-R360 PolarHBondContact OD1-N 3.39Å; N358-E361 PolarHBondContact ND2-OE2 3.02Å
359F63.7Low80.8Confident88 Ų8852.2 Ų52.239%0.38625%0.252SS..SBendtrans-79.2-21.7179.5-57.9-72.7000113R60 Q273 D274 I357R60-F359 VanDerWaalsContact CZ-O 3.3Å; R60-F359 PolarHBondContact NH1-O 3.33Å; R60-F359 PolarHBondContact NH2-O 2.95Å; Q273-F359 HydrophobicContact CG-CD1 4.11Å; Q273-F359 HydrophobicContact CG-CE1 4.06Å; D274-F359 WeakPolarHBondContact O-CE1 3.41Å; I357-F359 HydrophobicContact CG2-CD1 4.29Å; I357-F359 HydrophobicContact CG2-CD2 4.48Å; I357-F359 HydrophobicContact CG2-CE1 3.64Å; I357-F359 HydrophobicContact CG2-CE2 3.85Å; I357-F359 HydrophobicContact CG2-CZ 3.39Å
360R65.9Low80.7Confident141 Ų14152.2 Ų52.253%0.53225%0.253SS..SBendtrans-84.6-39.4-171-64.9-174.8-177.5-174.42.5112.6N358N358-R360 PolarHBondContact OD1-N 3.39Å
361E74.9Confident80.8Confident57 Ų5751.2 Ų51.227%0.26625%0.245SC..SBendtrans-99.2139.7-175-66.1176.4161.900110.4K139 N358K139-E361 IonicContact NZ-OE1 3.72Å; N358-E361 PolarHBondContact ND2-OE2 3.02Å
362P83.9Confident80.9Confident19 Ų1948.1 Ų48.112%0.12323%0.228CC..  trans-68.2155.7171.331.2-34.7000110.6N270 T364N270-P362 HydrophobicContact CB-CB 4.24Å; P362-T364 HydrophobicContact CB-CG2 4.11Å; P362-T364 HydrophobicContact CG-CG2 4.03Å; P362-T364 PolarHBondContact O-N 2.94Å
363V86.8Confident80.9Confident26 Ų2652.5 Ų52.516%0.15825%0.249CC..  trans-92.883.4176.1-173.40000108.3V271 L280 L352 P354V271-V363 PolarHBondContact O-N 2.72Å; L280-V363 HydrophobicContact CD2-CG2 4.05Å; L352-V363 HydrophobicContact CD1-CG1 4.04Å; P354-V363 HydrophobicContact CB-CG1 4.27Å; P354-V363 HydrophobicContact CB-CG2 4.4Å
364T87.8Confident81.4Confident34 Ų3447.5 Ų47.521%0.20923%0.233CC..  trans-99.4100.6-178.9550000110.7N270 Y345 P362N270-T364 HydrophobicContact CB-CG2 4.2Å; Y345-T364 HydrophobicContact CD2-CG2 4.26Å; Y345-T364 HydrophobicContact CE2-CG2 4.25Å; P362-T364 HydrophobicContact CB-CG2 4.11Å; P362-T364 HydrophobicContact CG-CG2 4.03Å; P362-T364 PolarHBondContact O-N 2.94Å
365L90.1Very high82.4Confident12 Ų1251.7 Ų51.76%0.06325%0.253CS..  trans-110.3128.4171.5-176.966.5000108.3Y345 V346 L352 D369 A370 Y719Y345-L365 CarbonylContact C-O 3.6Å; Y345-L365 VanDerWaalsContact CA-O 3.29Å; Y345-L365 WeakPolarHBondContact CA-O 3.42Å; V346-L365 HydrophobicContact CG2-CB 4.02Å; V346-L365 HydrophobicContact CG2-CD2 4.22Å; V346-L365 HydrophobicContact CG2-CG 4.23Å; V346-L365 VanDerWaalsContact CG2-O 3.32Å; V346-L365 WeakPolarHBondContact CG2-O 3.32Å; V346-L365 PolarHBondContact N-O 3.08Å; L352-L365 HydrophobicContact CD1-CB 3.93Å; L352-L365 HydrophobicContact CD1-CD2 4.15Å; L365-D369 HydrophobicContact CD1-CB 3.8Å; L365-A370 HydrophobicContact CD2-CB 3.73Å; L365-A370 HydrophobicContact CG-CB 4.06Å; L365-Y719 HydrophobicContact CD1-CD2 4.18Å
366D91.8Very high83.5Confident9 Ų948.6 Ų48.65%0.04824%0.242CC..BIsolated β-bridgetrans-76.9152.5175.1-162.2-32.1000110.2Y345 L368 D369 A370 R381 R869Y345-D366 HydrophobicContact CD1-CB 4.43Å; D366-L368 VanDerWaalsContact C-N 3.26Å; D366-L368 PolarHBondContact O-N 2.86Å; D366-L368 PolarHBondContact OD1-N 3.02Å; D366-D369 HydrophobicContact CB-CB 4.26Å; D366-D369 WeakPolarHBondContact CB-OD2 3.38Å; D366-D369 PolarHBondContact O-N 2.84Å; D366-D369 VanDerWaalsContact O-N 3.08Å; D366-A370 WeakPolarHBondContact O-CB 3.47Å; D366-A370 PolarHBondContact O-N 2.84Å; D366-R381 IonicContact OD1-CZ 3.82Å; D366-R381 IonicContact OD1-NE 3.84Å; D366-R381 PolarHBondContact OD1-NE 3.42Å; D366-R381 IonicContact OD1-NH2 2.69Å; D366-R381 PolarHBondContact OD1-NH2 2.81Å; D366-R381 IonicContact OD2-CZ 3.39Å; D366-R381 IonicContact OD2-NE 3.25Å; D366-R381 IonicContact OD2-NH2 2.94Å; D366-R381 PolarHBondContact OD2-NH2 2.86Å; D366-R869 VanDerWaalsContact CG-NH1 3.31Å; D366-R869 WeakPolarHBondContact OD2-CD 3.35Å; D366-R869 IonicContact OD2-CZ 3.74Å; D366-R869 IonicContact OD2-NE 2.76Å; D366-R869 IonicContact OD2-NH1 3.64Å; D366-R869 PolarHBondContact OD2-NH1 2.78Å
367F93.8Very high84.8Confident1 Ų146.1 Ų46.10%0.00423%0.229CC..Hα-helixtrans-55.8-39.7171.6172.7-112.2000113F338 T340 G344 V346 D369 A370 E371 K377 R381 Y413F338-F367 AromaticContact CD2-CD2 3.97Å; F338-F367 HydrophobicContact CD2-CD2 3.97Å; F338-F367 AromaticContact CD2-CE2 3.98Å; F338-F367 HydrophobicContact CD2-CE2 3.98Å; F338-F367 AromaticContact CE2-CD2 3.92Å; F338-F367 HydrophobicContact CE2-CD2 3.92Å; F338-F367 AromaticContact CE2-CE2 3.67Å; F338-F367 HydrophobicContact CE2-CE2 3.67Å; F338-F367 HydrophobicContact CE2-CZ 4.22Å; F338-F367 HydrophobicContact CZ-CE2 4.02Å; F338-F367 HydrophobicContact CZ-CZ 4.3Å; T340-F367 HydrophobicContact CG2-CB 4.27Å; G344-F367 PolarHBondContact O-N 2.83Å; G344-F367 VanDerWaalsContact O-N 3.07Å; V346-F367 HydrophobicContact CG1-CB 3.87Å; V346-F367 HydrophobicContact CG1-CD2 4.34Å; F367-D369 PolarHBondContact O-N 3.08Å; F367-A370 PolarHBondContact O-N 3.09Å; F367-E371 HydrophobicContact CE2-CG 4.26Å; F367-E371 WeakPolarHBondContact CE2-OE1 3.49Å; F367-E371 PolarHBondContact O-N 3.45Å; F367-E371 VanDerWaalsContact O-N 3.17Å; F367-K377 HydrophobicContact CE1-CB 3.99Å; F367-K377 HydrophobicContact CZ-CD 4.49Å; F367-R381 HydrophobicContact CD1-CB 3.99Å; F367-R381 HydrophobicContact CD1-CG 4.36Å; F367-R381 HydrophobicContact CE1-CB 4.46Å; F367-Y413 HydrophobicContact CE2-CE1 4.46Å; F367-Y413 AromaticContact CZ-CE1 3.99Å; F367-Y413 HydrophobicContact CZ-CE1 3.99Å
368L91.9Very high86.2Confident6 Ų645.2 Ų45.23%0.03122%0.222CC..Hα-helixtrans-74.2-13.3178.3-63.3177.8000113.8D366 E371 K377 E378D366-L368 VanDerWaalsContact C-N 3.26Å; D366-L368 PolarHBondContact O-N 2.86Å; D366-L368 PolarHBondContact OD1-N 3.02Å; L368-E371 CarbonylContact C-O 3.41Å; L368-K377 HydrophobicContact CD2-CB 4.07Å; L368-E378 HydrophobicContact CD1-CB 4.47Å; L368-E378 HydrophobicContact CD1-CG 4.35Å
369D89.8Confident87.5Confident43 Ų4346 Ų4623%0.2322%0.224CC..Hα-helixtrans-96.1-31.7174.2-59.6-28000110.7L365 D366 F367 E371 Y719 R869L365-D369 HydrophobicContact CD1-CB 3.8Å; D366-D369 HydrophobicContact CB-CB 4.26Å; D366-D369 WeakPolarHBondContact CB-OD2 3.38Å; D366-D369 PolarHBondContact O-N 2.84Å; D366-D369 VanDerWaalsContact O-N 3.08Å; F367-D369 PolarHBondContact O-N 3.08Å; D369-E371 VanDerWaalsContact C-N 3.3Å; D369-Y719 HydrophobicContact CB-CD2 3.91Å; D369-Y719 HydrophobicContact CB-CE2 3.67Å; D369-R869 VanDerWaalsContact CG-NH1 3.26Å; D369-R869 IonicContact OD1-CZ 3.68Å; D369-R869 VanDerWaalsContact OD1-CZ 3.31Å; D369-R869 IonicContact OD1-NH1 3.96Å; D369-R869 PolarHBondContact OD1-NH1 2.93Å; D369-R869 IonicContact OD1-NH2 3.48Å; D369-R869 PolarHBondContact OD1-NH2 3.38Å; D369-R869 IonicContact OD2-CZ 2.92Å; D369-R869 IonicContact OD2-NH1 3.88Å; D369-R869 PolarHBondContact OD2-NH1 3.34Å
370A90.8Very high89Confident7 Ų741.8 Ų41.86%0.05821%0.206CC..Hα-helixtrans-69.6-27.917600000112.7V346 N351 L365 D366 F367V346-A370 HydrophobicContact CG2-CB 4.32Å; N351-A370 PolarHBondContact ND2-O 2.98Å; L365-A370 HydrophobicContact CD2-CB 3.73Å; L365-A370 HydrophobicContact CG-CB 4.06Å; D366-A370 WeakPolarHBondContact O-CB 3.47Å; D366-A370 PolarHBondContact O-N 2.84Å; F367-A370 PolarHBondContact O-N 3.09Å
371E92.1Very high90.4Very high20 Ų2035.3 Ų35.39%0.09318%0.181CC..SBendtrans-123.2164.3175.8-63.6-170.9-167.200111.5Y336 H349 F367 L368 D369 E373 K377 Y413Y336-E371 VanDerWaalsContact OH-CD 3.25Å; Y336-E371 PolarHBondContact OH-OE1 3.35Å; H349-E371 IonicContact NE2-OE1 3.14Å; H349-E371 PolarHBondContact NE2-OE1 3.14Å; F367-E371 HydrophobicContact CE2-CG 4.26Å; F367-E371 WeakPolarHBondContact CE2-OE1 3.49Å; F367-E371 PolarHBondContact O-N 3.45Å; F367-E371 VanDerWaalsContact O-N 3.17Å; L368-E371 CarbonylContact C-O 3.41Å; D369-E371 VanDerWaalsContact C-N 3.3Å; E371-E373 PolarHBondContact O-N 3.04Å; E371-K377 VanDerWaalsContact OE2-CE 3.28Å; E371-K377 WeakPolarHBondContact OE2-CE 3.47Å; E371-K377 IonicContact OE2-NZ 2.85Å; E371-K377 PolarHBondContact OE2-NZ 3.13Å; E371-Y413 PolarHBondContact OE2-OH 2.85Å
372L91.3Very high91.3Very high13 Ų1338.3 Ų38.37%0.06819%0.19CC..  trans-63.8124.8171.3-63.8175.4000110.5K377 L397 K399 I406 K714L372-K377 PolarHBondContact O-NZ 3.18Å; L372-L397 HydrophobicContact CD1-CB 3.74Å; L372-K399 HydrophobicContact CD1-CB 4.27Å; L372-K399 HydrophobicContact CG-CB 4.38Å; L372-I406 HydrophobicContact CD1-CD1 3.81Å; L372-I406 HydrophobicContact CD1-CG1 4.18Å; L372-I406 HydrophobicContact CD1-CG2 4.27Å; L372-K714 HydrophobicContact CD2-CG 4.28Å
373E88Confident91.9Very high102 Ų10239.7 Ų39.748%0.47720%0.195SC..  trans-63.1133.4-178.5-172.8173-147.700112.6E371E371-E373 PolarHBondContact O-N 3.04Å
374D89.9Confident92.2Very high37 Ų3738.7 Ų38.720%0.19819%0.188CC..  trans-147.1138.7177.5177.1-4.4000108.4N376 K377 E378D374-N376 PolarHBondContact O-N 3.33Å; D374-N376 VanDerWaalsContact O-N 3.14Å; D374-N376 PolarHBondContact OD1-N 3.15Å; D374-N376 PolarHBondContact OD1-ND2 3.42Å; D374-N376 PolarHBondContact OD2-ND2 3.27Å; D374-K377 HydrophobicContact CB-CB 4.36Å; D374-K377 HydrophobicContact CB-CD 4.26Å; D374-K377 HydrophobicContact CB-CG 4.11Å; D374-K377 WeakPolarHBondContact O-CA 3.34Å; D374-K377 WeakPolarHBondContact O-CB 3.34Å; D374-K377 PolarHBondContact O-N 3.04Å; D374-E378 PolarHBondContact O-N 2.92Å
375N91.2Very high92.5Very high131 Ų13137.5 Ų37.570%0.70118%0.181SC*.Hα-helixtrans-52.2-34.8174.9-62.2-6.9000112.4K377 E378 E379N375-K377 VanDerWaalsContact C-N 3.33Å; N375-E378 PolarHBondContact O-N 3.09Å; N375-E379 PolarHBondContact O-N 3.36Å
376N93.3Very high92.7Very high53 Ų5338.9 Ų38.928%0.28319%0.188SC..Hα-helixtrans-67.4-35.7176.5-64.1-58.9000112.3D374 I380 R392 I394D374-N376 PolarHBondContact O-N 3.33Å; D374-N376 VanDerWaalsContact O-N 3.14Å; D374-N376 PolarHBondContact OD1-N 3.15Å; D374-N376 PolarHBondContact OD1-ND2 3.42Å; D374-N376 PolarHBondContact OD2-ND2 3.27Å; N376-I380 WeakPolarHBondContact O-CG1 3.29Å; N376-I380 PolarHBondContact O-N 3.36Å; N376-I380 VanDerWaalsContact O-N 3.17Å; N376-R392 PolarHBondContact OD1-NH2 3.19Å; N376-I394 HydrophobicContact CB-CD1 4.33Å; N376-I394 HydrophobicContact CB-CG2 3.95Å
377K93.9Very high92.7Very high4 Ų440.2 Ų40.22%0.01720%0.204CC..Hα-helixtrans-73.8-34.5178-69.2-176-171.4-177.70111.7F367 L368 E371 L372 D374 N375 E379 I380 R381 I394 T396 Y413F367-K377 HydrophobicContact CE1-CB 3.99Å; F367-K377 HydrophobicContact CZ-CD 4.49Å; L368-K377 HydrophobicContact CD2-CB 4.07Å; E371-K377 VanDerWaalsContact OE2-CE 3.28Å; E371-K377 WeakPolarHBondContact OE2-CE 3.47Å; E371-K377 IonicContact OE2-NZ 2.85Å; E371-K377 PolarHBondContact OE2-NZ 3.13Å; L372-K377 PolarHBondContact O-NZ 3.18Å; D374-K377 HydrophobicContact CB-CB 4.36Å; D374-K377 HydrophobicContact CB-CD 4.26Å; D374-K377 HydrophobicContact CB-CG 4.11Å; D374-K377 WeakPolarHBondContact O-CA 3.34Å; D374-K377 WeakPolarHBondContact O-CB 3.34Å; D374-K377 PolarHBondContact O-N 3.04Å; N375-K377 VanDerWaalsContact C-N 3.33Å; K377-E379 VanDerWaalsContact C-N 3.3Å; K377-E379 PolarHBondContact O-N 3.21Å; K377-I380 PolarHBondContact O-N 3.42Å; K377-R381 WeakPolarHBondContact O-CB 3.43Å; K377-R381 PolarHBondContact O-N 3.32Å; K377-I394 HydrophobicContact CG-CD1 3.91Å; K377-T396 WeakPolarHBondContact CE-OG1 3.38Å; K377-T396 PolarHBondContact NZ-OG1 3.48Å; K377-Y413 WeakPolarHBondContact CE-OH 3.33Å
378E93.1Very high92.7Very high90 Ų9047.5 Ų47.542%0.42123%0.232SC..Hα-helixtrans-59.1-43.6172.3-169.7-173.1174.900111.2L368 D374 N375 R381 R382L368-E378 HydrophobicContact CD1-CB 4.47Å; L368-E378 HydrophobicContact CD1-CG 4.35Å; D374-E378 PolarHBondContact O-N 2.92Å; N375-E378 PolarHBondContact O-N 3.09Å; E378-R381 WeakPolarHBondContact O-CB 3.49Å; E378-R381 PolarHBondContact O-N 2.8Å; E378-R382 WeakPolarHBondContact O-CB 3.31Å; E378-R382 PolarHBondContact O-N 2.96Å
379E93.8Very high93Very high72 Ų7251 Ų5134%0.33626%0.257SS..Hα-helixtrans-66.3-40176.1-177.958.7-156.500112.3N375 K377 R382 Q383N375-E379 PolarHBondContact O-N 3.36Å; K377-E379 VanDerWaalsContact C-N 3.3Å; K377-E379 PolarHBondContact O-N 3.21Å; E379-R382 PolarHBondContact O-N 3.11Å; E379-Q383 WeakPolarHBondContact O-CG 3.27Å; E379-Q383 PolarHBondContact O-N 3.4Å; E379-Q383 PolarHBondContact OE1-NE2 3.04Å
380I95Very high93.3Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-60.1-49.1174-67.8165.9000110.1N376 K377 R382 Q383 M384 R392 I394 Y413 W415N376-I380 WeakPolarHBondContact O-CG1 3.29Å; N376-I380 PolarHBondContact O-N 3.36Å; N376-I380 VanDerWaalsContact O-N 3.17Å; K377-I380 PolarHBondContact O-N 3.42Å; I380-R382 VanDerWaalsContact C-N 3.31Å; I380-R382 PolarHBondContact O-N 2.88Å; I380-Q383 PolarHBondContact O-N 3Å; I380-M384 HydrophobicContact CG2-CG 4.41Å; I380-M384 HydrophobicContact CG2-SD 3.96Å; I380-M384 WeakPolarHBondContact O-CG 3.4Å; I380-M384 PolarHBondContact O-N 3.43Å; I380-R392 HydrophobicContact CD1-CB 4.35Å; I380-I394 HydrophobicContact CD1-CD1 4.22Å; I380-Y413 HydrophobicContact CD1-CD1 4.4Å; I380-Y413 HydrophobicContact CD1-CD2 4.38Å; I380-Y413 HydrophobicContact CD1-CG 4.01Å; I380-W415 HydrophobicContact CB-CH2 4.38Å; I380-W415 HydrophobicContact CB-CZ3 4.33Å; I380-W415 HydrophobicContact CD1-CZ3 4.19Å; I380-W415 HydrophobicContact CG1-CH2 3.77Å; I380-W415 HydrophobicContact CG1-CZ3 3.79Å; I380-W415 HydrophobicContact CG2-CD2 4.05Å; I380-W415 HydrophobicContact CG2-CE3 3.67Å; I380-W415 HydrophobicContact CG2-CH2 4.14Å; I380-W415 HydrophobicContact CG2-CZ2 4.46Å; I380-W415 HydrophobicContact CG2-CZ3 3.73Å
381R94.9Very high93.5Very high6 Ų656.3 Ų56.32%0.02329%0.285CS..Hα-helixtrans-55.7-46177178.4-178.8177.2-72.33.3111.2N343 D366 F367 K377 E378 Q383 M384 I385 Y870N343-R381 PolarHBondContact O-NH2 3.04Å; D366-R381 IonicContact OD1-CZ 3.82Å; D366-R381 IonicContact OD1-NE 3.84Å; D366-R381 PolarHBondContact OD1-NE 3.42Å; D366-R381 IonicContact OD1-NH2 2.69Å; D366-R381 PolarHBondContact OD1-NH2 2.81Å; D366-R381 IonicContact OD2-CZ 3.39Å; D366-R381 IonicContact OD2-NE 3.25Å; D366-R381 IonicContact OD2-NH2 2.94Å; D366-R381 PolarHBondContact OD2-NH2 2.86Å; F367-R381 HydrophobicContact CD1-CB 3.99Å; F367-R381 HydrophobicContact CD1-CG 4.36Å; F367-R381 HydrophobicContact CE1-CB 4.46Å; K377-R381 WeakPolarHBondContact O-CB 3.43Å; K377-R381 PolarHBondContact O-N 3.32Å; E378-R381 WeakPolarHBondContact O-CB 3.49Å; E378-R381 PolarHBondContact O-N 2.8Å; R381-Q383 PolarHBondContact O-N 3.01Å; R381-M384 PolarHBondContact O-N 3.04Å; R381-I385 HydrophobicContact CG-CD1 3.94Å; R381-I385 VanDerWaalsContact NH1-CD1 3.33Å; R381-I385 VanDerWaalsContact O-CG1 3.31Å; R381-I385 WeakPolarHBondContact O-CG1 3.36Å; R381-I385 PolarHBondContact O-N 2.85Å; R381-Y870 PolarHBondContact NH1-O 2.96Å
382R94.6Very high93.6Very high119 Ų11959.3 Ų59.345%0.44930%0.296SS..Hα-helixtrans-60.1-46.1177.3-177.9174.9-176.3-176.63.4112.2E378 E379 I380 M384 I385 D386 Y870E378-R382 WeakPolarHBondContact O-CB 3.31Å; E378-R382 PolarHBondContact O-N 2.96Å; E379-R382 PolarHBondContact O-N 3.11Å; I380-R382 VanDerWaalsContact C-N 3.31Å; I380-R382 PolarHBondContact O-N 2.88Å; R382-M384 VanDerWaalsContact C-N 3.33Å; R382-M384 PolarHBondContact O-N 2.88Å; R382-I385 PolarHBondContact O-N 2.57Å; R382-D386 PolarHBondContact O-N 3.05Å; R382-Y870 HydrophobicContact CB-CD1 4.36Å; R382-Y870 HydrophobicContact CG-CD1 3.7Å; R382-Y870 HydrophobicContact CG-CE1 3.95Å; R382-Y870 HydrophobicContact CG-CG 4.35Å
383Q95.1Very high93.8Very high49 Ų4964.2 Ų64.223%0.22932%0.316CS..Hα-helixtrans-65.7-36179.1-69-177.323.900112.6E379 I380 R381 D386 G387 R388 W415E379-Q383 WeakPolarHBondContact O-CG 3.27Å; E379-Q383 PolarHBondContact O-N 3.4Å; E379-Q383 PolarHBondContact OE1-NE2 3.04Å; I380-Q383 PolarHBondContact O-N 3Å; R381-Q383 PolarHBondContact O-N 3.01Å; Q383-D386 PolarHBondContact O-N 2.91Å; Q383-G387 PolarHBondContact O-N 2.91Å; Q383-R388 PolarHBondContact O-N 3.41Å; Q383-W415 HydrophobicContact CB-CZ2 4.29Å
384M94.9Very high94.1Very high4 Ų459.7 Ų59.72%0.0230%0.295CS..Hα-helixtrans-65.3-44.3173.6-72.3-179.473.300112F338 T340 I380 R381 R382 D386 G387 W415F338-M384 HydrophobicContact CD2-CE 4.29Å; F338-M384 HydrophobicContact CE2-CE 3.54Å; F338-M384 HydrophobicContact CE2-SD 3.63Å; F338-M384 HydrophobicContact CZ-CE 4Å; F338-M384 HydrophobicContact CZ-SD 3.79Å; T340-M384 HydrophobicContact CG2-CE 4.14Å; I380-M384 HydrophobicContact CG2-CG 4.41Å; I380-M384 HydrophobicContact CG2-SD 3.96Å; I380-M384 WeakPolarHBondContact O-CG 3.4Å; I380-M384 PolarHBondContact O-N 3.43Å; R381-M384 PolarHBondContact O-N 3.04Å; R382-M384 VanDerWaalsContact C-N 3.33Å; R382-M384 PolarHBondContact O-N 2.88Å; M384-D386 VanDerWaalsContact C-N 3.29Å; M384-D386 PolarHBondContact O-N 2.91Å; M384-G387 PolarHBondContact O-N 3Å; M384-W415 HydrophobicContact CE-CB 3.9Å; M384-W415 HydrophobicContact CG-CB 3.7Å; M384-W415 HydrophobicContact CG-CD2 4.09Å; M384-W415 HydrophobicContact CG-CG 3.41Å; M384-W415 VanDerWaalsContact CG-CG 3.41Å; M384-W415 HydrophobicContact SD-CB 3.75Å; M384-W415 HydrophobicContact SD-CD2 4.5Å; M384-W415 HydrophobicContact SD-CG 3.95Å
385I94.3Very high94.2Very high9 Ų962.8 Ų62.85%0.04631%0.307CS..Hα-helixtrans-61.5-38.2175.5-71.7168.3000111.4P342 R381 R382 G387 Y870 K872P342-I385 VanDerWaalsContact O-CG2 3.27Å; P342-I385 WeakPolarHBondContact O-CG2 3.48Å; R381-I385 HydrophobicContact CG-CD1 3.94Å; R381-I385 VanDerWaalsContact NH1-CD1 3.33Å; R381-I385 VanDerWaalsContact O-CG1 3.31Å; R381-I385 WeakPolarHBondContact O-CG1 3.36Å; R381-I385 PolarHBondContact O-N 2.85Å; R382-I385 PolarHBondContact O-N 2.57Å; I385-G387 PolarHBondContact O-N 3.05Å; I385-Y870 HydrophobicContact CG2-CD1 4.24Å; I385-Y870 HydrophobicContact CG2-CE1 3.94Å; I385-K872 HydrophobicContact CG2-CB 3.63Å
386D93.1Very high94.3Very high42 Ų4256.8 Ų56.823%0.22528%0.275CS..THydrogen-bonded Turntrans-71.7-6.9176.1-76.8-19.3000113.5R382 Q383 M384 R388 Y870R382-D386 PolarHBondContact O-N 3.05Å; Q383-D386 PolarHBondContact O-N 2.91Å; M384-D386 VanDerWaalsContact C-N 3.29Å; M384-D386 PolarHBondContact O-N 2.91Å; D386-R388 HydrophobicContact CB-CG 4.25Å; D386-Y870 PolarHBondContact OD1-OH 2.93Å; D386-Y870 VanDerWaalsContact OD1-OH 3.13Å
387G92.2Very high94.3Very high37 Ų3755.9 Ų55.938%0.38127%0.27SS..THydrogen-bonded Turntrans7525.8-179.700000113.6Q383 M384 I385Q383-G387 PolarHBondContact O-N 2.91Å; M384-G387 PolarHBondContact O-N 3Å; I385-G387 PolarHBondContact O-N 3.05Å
388R94.6Very high94.2Very high154 Ų15457.8 Ų57.858%0.58128%0.28SS*.  trans-91.7139178.2-60.9-177.5-175.8-176.93.1110.2Q383 D386 W415Q383-R388 PolarHBondContact O-N 3.41Å; D386-R388 HydrophobicContact CB-CG 4.25Å; R388-W415 PolarHBondContact O-NE1 3.26Å
389S96.6Very high94.1Very high79 Ų7956.2 Ų56.255%0.55227%0.272SS*.  trans-81.5145.9169.6-57.90000110.5W415 T416 P417S389-W415 WeakPolarHBondContact CA-O 3.33Å; S389-T416 PolarHBondContact OG-OG1 2.99Å; S389-P417 VanDerWaalsContact OG-CD 3.25Å; S389-P417 WeakPolarHBondContact OG-CD 3.33Å
390G96Very high94Very high23 Ų2353.3 Ų53.324%0.23726%0.26CS..EExtended strand (participates in β ladder)trans-168.7167.2179.800000113.7T414 W415G390-T414 WeakPolarHBondContact O-CA 3.24Å; G390-W415 PolarHBondContact N-O 3.44Å; G390-W415 PolarHBondContact O-N 3.07Å
391Q96.1Very high93.6Very high139 Ų13956 Ų5665%0.6528%0.276SS*.EExtended strand (participates in β ladder)trans-137.1137.4171.9-176.8178.644.900108.9T412 Y413 T414Q391-T412 HydrophobicContact CG-CG2 3.85Å; Q391-T412 VanDerWaalsContact NE2-CG2 3.34Å; Q391-Y413 CarbonylContact C-O 3.51Å; Q391-Y413 VanDerWaalsContact CA-O 3.3Å; Q391-Y413 WeakPolarHBondContact CA-O 3.2Å; Q391-T414 HydrophobicContact CB-CG2 4.37Å; Q391-T414 PolarHBondContact NE2-OG1 3.12Å
392R94.7Very high93.1Very high83 Ų8357.3 Ų57.331%0.31328%0.283SS..EExtended strand (participates in β ladder)trans-145.1132.5176.4-164.3179-177.6160.30.9110.8N376 I380 I394 Y413 W415N376-R392 PolarHBondContact OD1-NH2 3.19Å; I380-R392 HydrophobicContact CD1-CB 4.35Å; R392-I394 HydrophobicContact CG-CG2 3.72Å; R392-Y413 PolarHBondContact N-O 2.91Å; R392-Y413 PolarHBondContact O-N 3.46Å; R392-W415 HydrophobicContact CB-CH2 3.82Å; R392-W415 HydrophobicContact CB-CZ3 3.95Å
393K95Very high92.7Very high115 Ų11555 Ų5550%0.528%0.277SS..EExtended strand (participates in β ladder)trans-100.3119.9173-170.5172.4-177.3169.30109M410 R411K393-M410 HydrophobicContact CD-CE 4.15Å; K393-M410 HydrophobicContact CG-CE 3.79Å; K393-R411 CarbonylContact C-O 3.58Å; K393-R411 WeakPolarHBondContact CA-O 3.41Å
394I94.6Very high92.4Very high7 Ų753.9 Ų53.94%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-129149.9-175.666.2174.4000110.4N376 K377 I380 R392 T396 R411 Y413N376-I394 HydrophobicContact CB-CD1 4.33Å; N376-I394 HydrophobicContact CB-CG2 3.95Å; K377-I394 HydrophobicContact CG-CD1 3.91Å; I380-I394 HydrophobicContact CD1-CD1 4.22Å; R392-I394 HydrophobicContact CG-CG2 3.72Å; I394-T396 HydrophobicContact CG1-CG2 4.43Å; I394-R411 PolarHBondContact N-O 3.32Å; I394-R411 PolarHBondContact O-N 2.83Å; I394-Y413 HydrophobicContact CD1-CD2 3.9Å; I394-Y413 HydrophobicContact CD1-CE2 3.65Å; I394-Y413 HydrophobicContact CG1-CD2 3.92Å; I394-Y413 HydrophobicContact CG1-CE2 3.86Å
395K92.3Very high92.3Very high103 Ų10353.7 Ų53.745%0.44827%0.27SS..EExtended strand (participates in β ladder)trans-93.6115.6167.4-161.3-179.1-172.1-147.20107E408 M410K395-E408 HydrophobicContact CD-CG 4.23Å; K395-E408 VanDerWaalsContact CD-OE1 3.31Å; K395-E408 WeakPolarHBondContact CD-OE1 3.25Å; K395-E408 WeakPolarHBondContact CE-OE1 3.42Å; K395-E408 VanDerWaalsContact CE-OE2 3.3Å; K395-E408 WeakPolarHBondContact CE-OE2 3.48Å; K395-E408 HydrophobicContact CG-CG 4.03Å; K395-E408 IonicContact NZ-OE1 2.95Å; K395-E408 PolarHBondContact NZ-OE1 3.21Å; K395-E408 IonicContact NZ-OE2 3.09Å; K395-E408 PolarHBondContact NZ-OE2 3.3Å; K395-M410 HydrophobicContact CB-SD 3.51Å; K395-M410 VanDerWaalsContact CB-SD 3.51Å; K395-M410 HydrophobicContact CD-SD 4.27Å; K395-M410 HydrophobicContact CG-SD 3.69Å
396T92.3Very high92.3Very high5 Ų553.4 Ų53.43%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-131.5152.9-174.7-179.50000110.6K377 I394 I398 A409 R411K377-T396 WeakPolarHBondContact CE-OG1 3.38Å; K377-T396 PolarHBondContact NZ-OG1 3.48Å; I394-T396 HydrophobicContact CG1-CG2 4.43Å; T396-I398 HydrophobicContact CG2-CG1 4.19Å; T396-A409 PolarHBondContact N-O 3.42Å; T396-A409 PolarHBondContact O-N 2.9Å; T396-R411 HydrophobicContact CG2-CB 4.19Å; T396-R411 HydrophobicContact CG2-CG 3.83Å
397L92.5Very high92.2Very high34 Ų3451.9 Ų51.918%0.17826%0.261CS..EExtended strand (participates in β ladder)trans-73.3137.5165.7-60.8178000109.3L372 I406 E408 Y799L372-L397 HydrophobicContact CD1-CB 3.74Å; L397-I406 HydrophobicContact CB-CG2 3.69Å; L397-I406 HydrophobicContact CD1-CG2 4.38Å; L397-I406 HydrophobicContact CD2-CG2 3.86Å; L397-I406 HydrophobicContact CG-CG2 4.17Å; L397-E408 HydrophobicContact CD2-CB 3.99Å; L397-E408 HydrophobicContact CD2-CG 4.11Å; L397-Y799 HydrophobicContact CD1-CE1 4.22Å; L397-Y799 HydrophobicContact CD2-CD2 4.42Å; L397-Y799 HydrophobicContact CD2-CE2 4.02Å
398I92.4Very high92.2Very high44 Ų4454.2 Ų54.223%0.22626%0.261CS..EExtended strand (participates in β ladder)trans-125.1122.5-179.4-56.2-179.4000107.5T396 I406 D407 A409 R411T396-I398 HydrophobicContact CG2-CG1 4.19Å; I398-I406 VanDerWaalsContact O-CA 3.32Å; I398-I406 WeakPolarHBondContact O-CA 3.35Å; I398-D407 PolarHBondContact N-O 3.22Å; I398-D407 PolarHBondContact O-N 3.03Å; I398-A409 HydrophobicContact CD1-CB 3.74Å; I398-R411 HydrophobicContact CD1-CG 3.87Å; I398-R411 VanDerWaalsContact CD1-CZ 3.49Å; I398-R411 VanDerWaalsContact CD1-NH2 3.3Å
399K91.6Very high92Very high56 Ų5647.3 Ų47.324%0.24324%0.237CC..EExtended strand (participates in β ladder)trans-75.3132174.7-173.3-176.7170-158.60109.3L372 E403L372-K399 HydrophobicContact CD1-CB 4.27Å; L372-K399 HydrophobicContact CG-CB 4.38Å; K399-E403 IonicContact NZ-OE1 3.73Å; K399-E403 PolarHBondContact NZ-OE1 3.21Å
400S90.6Very high91.9Very high12 Ų1247.3 Ų47.38%0.08423%0.23CC..  trans-69.1159.4175.9-1750000112.2D402 E403 Y405 S577S400-D402 VanDerWaalsContact C-N 3.32Å; S400-D402 WeakPolarHBondContact CB-OD1 3.48Å; S400-D402 PolarHBondContact O-N 2.78Å; S400-D402 PolarHBondContact OG-OD1 2.87Å; S400-E403 PolarHBondContact O-N 2.81Å; S400-E403 VanDerWaalsContact O-N 3.09Å; S400-Y405 WeakPolarHBondContact CB-O 3.19Å; S400-Y405 PolarHBondContact N-O 2.82Å; S400-S577 PolarHBondContact OG-OG 3.36Å
401V87.1Confident91.8Very high56 Ų5646.5 Ų46.534%0.33922%0.219SC..THydrogen-bonded Turntrans-65.8-35.5-177.1-176.70000112.1E403V401-E403 PolarHBondContact O-N 3.29Å
402D84.4Confident91.7Very high34 Ų3440.4 Ų40.418%0.18219%0.192CC..THydrogen-bonded Turntrans-79.8117665.7-31.1000113.2S400 R404 S577 Y594S400-D402 VanDerWaalsContact C-N 3.32Å; S400-D402 WeakPolarHBondContact CB-OD1 3.48Å; S400-D402 PolarHBondContact O-N 2.78Å; S400-D402 PolarHBondContact OG-OD1 2.87Å; D402-R404 WeakPolarHBondContact O-CG 3.49Å; D402-R404 PolarHBondContact O-N 3.47Å; D402-R404 IonicContact OD2-CZ 3.48Å; D402-R404 IonicContact OD2-NE 3.87Å; D402-R404 PolarHBondContact OD2-NE 3.37Å; D402-R404 IonicContact OD2-NH2 3.09Å; D402-R404 PolarHBondContact OD2-NH2 3.07Å; D402-S577 PolarHBondContact OD1-OG 2.88Å; D402-S577 VanDerWaalsContact OD1-OG 3.05Å; D402-Y594 HydrophobicContact CB-CE1 4Å; D402-Y594 WeakPolarHBondContact CB-OH 3.42Å; D402-Y594 PolarHBondContact OD2-OH 3.15Å
403E87.4Confident91.8Very high69 Ų6936.6 Ų36.632%0.32218%0.177SC..SBendtrans61.910176.9-44.1-167.8122.700115.3K399 S400 V401 Q795 Q797K399-E403 IonicContact NZ-OE1 3.73Å; K399-E403 PolarHBondContact NZ-OE1 3.21Å; S400-E403 PolarHBondContact O-N 2.81Å; S400-E403 VanDerWaalsContact O-N 3.09Å; V401-E403 PolarHBondContact O-N 3.29Å; E403-Q795 VanDerWaalsContact CD-NE2 3.28Å; E403-Q795 PolarHBondContact OE1-NE2 2.88Å; E403-Q795 PolarHBondContact OE1-OE1 2.91Å; E403-Q795 PolarHBondContact OE2-NE2 3.11Å; E403-Q797 WeakPolarHBondContact O-CG 3.12Å; E403-Q797 PolarHBondContact O-NE2 3.32Å
404R88.7Confident91.9Very high26 Ų2633.6 Ų33.610%0.09817%0.169CC..SBendtrans-92.5-31.1179.8-63.8-166.2-53.1171.80.2114.1D402 A592 Y594 F677 Q850D402-R404 WeakPolarHBondContact O-CG 3.49Å; D402-R404 PolarHBondContact O-N 3.47Å; D402-R404 IonicContact OD2-CZ 3.48Å; D402-R404 IonicContact OD2-NE 3.87Å; D402-R404 PolarHBondContact OD2-NE 3.37Å; D402-R404 IonicContact OD2-NH2 3.09Å; D402-R404 PolarHBondContact OD2-NH2 3.07Å; R404-A592 PolarHBondContact NH1-O 3.26Å; R404-A592 PolarHBondContact NH2-O 2.72Å; R404-Y594 VanDerWaalsContact CZ-CE1 3.48Å; R404-F677 HydrophobicContact CB-CE2 3.76Å; R404-F677 HydrophobicContact CB-CZ 3.79Å; R404-F677 HydrophobicContact CG-CE2 4.37Å; R404-F677 HydrophobicContact CG-CZ 3.93Å; R404-Q850 PolarHBondContact O-NE2 3.34Å
405Y92Very high92Very high0 Ų033.6 Ų33.60%017%0.169CC..BIsolated β-bridgetrans-117.4154.6-171.9-57.2-73.9000112.7S400 T591 A592 D673 F677S400-Y405 WeakPolarHBondContact CB-O 3.19Å; S400-Y405 PolarHBondContact N-O 2.82Å; Y405-T591 HydrophobicContact CE2-CG2 4.42Å; Y405-A592 PolarHBondContact OH-N 2.94Å; Y405-D673 WeakPolarHBondContact CE1-OD2 2.89Å; Y405-D673 VanDerWaalsContact CZ-OD2 3.28Å; Y405-D673 PolarHBondContact OH-OD2 3.42Å; Y405-F677 AromaticContact CE1-CD2 3.8Å; Y405-F677 HydrophobicContact CE1-CD2 3.8Å; Y405-F677 HydrophobicContact CE1-CE2 4.08Å
406I93.6Very high92.2Very high4 Ų432 Ų322%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-127.7124167.8-70.1177.3000108.5L372 L397 I398 K714 Q797 Y799L372-I406 HydrophobicContact CD1-CD1 3.81Å; L372-I406 HydrophobicContact CD1-CG1 4.18Å; L372-I406 HydrophobicContact CD1-CG2 4.27Å; L397-I406 HydrophobicContact CB-CG2 3.69Å; L397-I406 HydrophobicContact CD1-CG2 4.38Å; L397-I406 HydrophobicContact CD2-CG2 3.86Å; L397-I406 HydrophobicContact CG-CG2 4.17Å; I398-I406 VanDerWaalsContact O-CA 3.32Å; I398-I406 WeakPolarHBondContact O-CA 3.35Å; I406-K714 HydrophobicContact CD1-CB 3.74Å; I406-K714 HydrophobicContact CD1-CG 4.13Å; I406-Q797 HydrophobicContact CD1-CB 3.56Å; I406-Q797 HydrophobicContact CD1-CG 4.32Å; I406-Q797 HydrophobicContact CG1-CB 3.72Å; I406-Q797 HydrophobicContact CG1-CG 4.23Å; I406-Y799 HydrophobicContact CB-CD1 4.31Å; I406-Y799 HydrophobicContact CB-CG 4.47Å; I406-Y799 HydrophobicContact CG2-CD1 4.27Å; I406-Y799 HydrophobicContact CG2-CG 4.39Å; I406-Y799 WeakPolarHBondContact O-CB 3.27Å
407D92.1Very high92.3Very high9 Ų934 Ų345%0.04818%0.18CC..EExtended strand (participates in β ladder)trans-107.6140.3175.6-63.5-63.2000110.3I398 R581 N585I398-D407 PolarHBondContact N-O 3.22Å; I398-D407 PolarHBondContact O-N 3.03Å; D407-R581 IonicContact OD1-CZ 3Å; D407-R581 IonicContact OD1-NE 2.79Å; D407-R581 PolarHBondContact OD1-NE 3.02Å; D407-R581 IonicContact OD1-NH2 3.75Å; D407-R581 PolarHBondContact OD1-NH2 2.92Å; D407-R581 VanDerWaalsContact OD2-CG 3.29Å; D407-R581 WeakPolarHBondContact OD2-CG 3.3Å; D407-R581 IonicContact OD2-CZ 2.67Å; D407-R581 IonicContact OD2-NE 2.67Å; D407-R581 PolarHBondContact OD2-NE 2.74Å; D407-R581 IonicContact OD2-NH2 3.89Å; D407-N585 PolarHBondContact OD1-ND2 3.09Å
408E91.2Very high92.4Very high86 Ų8635.3 Ų35.340%0.40219%0.19SC..EExtended strand (participates in β ladder)trans-94.4109.8175.6-168.6-168.7-165.100109.8K395 L397K395-E408 HydrophobicContact CD-CG 4.23Å; K395-E408 VanDerWaalsContact CD-OE1 3.31Å; K395-E408 WeakPolarHBondContact CD-OE1 3.25Å; K395-E408 WeakPolarHBondContact CE-OE1 3.42Å; K395-E408 VanDerWaalsContact CE-OE2 3.3Å; K395-E408 WeakPolarHBondContact CE-OE2 3.48Å; K395-E408 HydrophobicContact CG-CG 4.03Å; K395-E408 IonicContact NZ-OE1 2.95Å; K395-E408 PolarHBondContact NZ-OE1 3.21Å; K395-E408 IonicContact NZ-OE2 3.09Å; K395-E408 PolarHBondContact NZ-OE2 3.3Å; L397-E408 HydrophobicContact CD2-CB 3.99Å; L397-E408 HydrophobicContact CD2-CG 4.11Å
409A91.8Very high92.3Very high9 Ų942.4 Ų42.47%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-133.3157.9-174.800000113.5T396 I398 D584T396-A409 PolarHBondContact N-O 3.42Å; T396-A409 PolarHBondContact O-N 2.9Å; I398-A409 HydrophobicContact CD1-CB 3.74Å; A409-D584 HydrophobicContact CB-CB 4.16Å
410M92.8Very high92Very high79 Ų7943.9 Ų43.939%0.38925%0.253SS..EExtended strand (participates in β ladder)trans-85.7122.9175.8-70-65.6-63.600110.3K393 K395 T431K393-M410 HydrophobicContact CD-CE 4.15Å; K393-M410 HydrophobicContact CG-CE 3.79Å; K395-M410 HydrophobicContact CB-SD 3.51Å; K395-M410 VanDerWaalsContact CB-SD 3.51Å; K395-M410 HydrophobicContact CD-SD 4.27Å; K395-M410 HydrophobicContact CG-SD 3.69Å; M410-T431 HydrophobicContact CB-CG2 4.32Å
411R94.1Very high92Very high6 Ų645.4 Ų45.42%0.02326%0.262CS..EExtended strand (participates in β ladder)trans-124.6137.4179.8-62.9-63.7169.9162.90.9111.4N334 K393 I394 T396 I398 Y413 V428 D584N334-R411 VanDerWaalsContact CB-NH2 3.28Å; N334-R411 PolarHBondContact O-NH1 2.77Å; K393-R411 CarbonylContact C-O 3.58Å; K393-R411 WeakPolarHBondContact CA-O 3.41Å; I394-R411 PolarHBondContact N-O 3.32Å; I394-R411 PolarHBondContact O-N 2.83Å; T396-R411 HydrophobicContact CG2-CB 4.19Å; T396-R411 HydrophobicContact CG2-CG 3.83Å; I398-R411 HydrophobicContact CD1-CG 3.87Å; I398-R411 VanDerWaalsContact CD1-CZ 3.49Å; I398-R411 VanDerWaalsContact CD1-NH2 3.3Å; R411-Y413 HydrophobicContact CB-CD2 4.07Å; R411-Y413 HydrophobicContact CB-CE2 3.61Å; R411-Y413 HydrophobicContact CG-CE2 4.49Å; R411-V428 HydrophobicContact CB-CG1 4.09Å; R411-V428 HydrophobicContact CG-CG1 4.33Å; R411-D584 IonicContact CZ-OD1 2.64Å; R411-D584 IonicContact CZ-OD2 3.88Å; R411-D584 IonicContact NH2-OD1 3.85Å; R411-D584 PolarHBondContact NH2-OD1 3.34Å; R411-D584 IonicContact NH2-OD2 2.81Å; R411-D584 PolarHBondContact NH2-OD2 2.99Å
412T95.6Very high92Very high12 Ų1249 Ų497%0.07428%0.279CS..EExtended strand (participates in β ladder)trans-102.4110.4171.8-56.20000108Q391 L429Q391-T412 HydrophobicContact CG-CG2 3.85Å; Q391-T412 VanDerWaalsContact NE2-CG2 3.34Å; T412-L429 PolarHBondContact N-O 2.72Å; T412-L429 PolarHBondContact O-N 2.86Å
413Y95.9Very high92.4Very high2 Ų248.7 Ų48.71%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-91.3129.9172.2-72.9-108.4000108.2F338 F367 E371 K377 I380 Q391 R392 I394 R411 W415 V428F338-Y413 AromaticContact CE1-CD1 3.97Å; F338-Y413 HydrophobicContact CE1-CD1 3.97Å; F338-Y413 HydrophobicContact CE1-CE1 4.28Å; F338-Y413 HydrophobicContact CZ-CD1 4.07Å; F338-Y413 HydrophobicContact CZ-CE1 4.46Å; F367-Y413 HydrophobicContact CE2-CE1 4.46Å; F367-Y413 AromaticContact CZ-CE1 3.99Å; F367-Y413 HydrophobicContact CZ-CE1 3.99Å; E371-Y413 PolarHBondContact OE2-OH 2.85Å; K377-Y413 WeakPolarHBondContact CE-OH 3.33Å; I380-Y413 HydrophobicContact CD1-CD1 4.4Å; I380-Y413 HydrophobicContact CD1-CD2 4.38Å; I380-Y413 HydrophobicContact CD1-CG 4.01Å; Q391-Y413 CarbonylContact C-O 3.51Å; Q391-Y413 VanDerWaalsContact CA-O 3.3Å; Q391-Y413 WeakPolarHBondContact CA-O 3.2Å; R392-Y413 PolarHBondContact N-O 2.91Å; R392-Y413 PolarHBondContact O-N 3.46Å; I394-Y413 HydrophobicContact CD1-CD2 3.9Å; I394-Y413 HydrophobicContact CD1-CE2 3.65Å; I394-Y413 HydrophobicContact CG1-CD2 3.92Å; I394-Y413 HydrophobicContact CG1-CE2 3.86Å; R411-Y413 HydrophobicContact CB-CD2 4.07Å; R411-Y413 HydrophobicContact CB-CE2 3.61Å; R411-Y413 HydrophobicContact CG-CE2 4.49Å; Y413-W415 WeakPolarHBondContact O-CZ3 3.33Å; Y413-V428 HydrophobicContact CD1-CG2 3.5Å; Y413-V428 HydrophobicContact CD2-CG1 4.38Å; Y413-V428 HydrophobicContact CE1-CB 4.47Å; Y413-V428 HydrophobicContact CE1-CG1 4.29Å; Y413-V428 HydrophobicContact CE1-CG2 3.36Å; Y413-V428 HydrophobicContact CE2-CG1 4.04Å; Y413-V428 HydrophobicContact CG-CG2 4.15Å
414T96.6Very high92.8Very high52 Ų5245.5 Ų45.532%0.31926%0.261SS..EExtended strand (participates in β ladder)trans-130.2133.7174.5-50.20000107.9G390 Q391 G426 L427G390-T414 WeakPolarHBondContact O-CA 3.24Å; Q391-T414 HydrophobicContact CB-CG2 4.37Å; Q391-T414 PolarHBondContact NE2-OG1 3.12Å; T414-G426 CarbonylContact O-C 3.59Å; T414-G426 WeakPolarHBondContact O-CA 3.42Å; T414-L427 PolarHBondContact N-O 3.47Å; T414-L427 PolarHBondContact O-N 2.98Å
415W96.5Very high93.1Very high8 Ų847.1 Ų47.13%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-142.7152.9-177.260.690.6000112.4I380 Q383 M384 R388 S389 G390 R392 Y413 L425I380-W415 HydrophobicContact CB-CH2 4.38Å; I380-W415 HydrophobicContact CB-CZ3 4.33Å; I380-W415 HydrophobicContact CD1-CZ3 4.19Å; I380-W415 HydrophobicContact CG1-CH2 3.77Å; I380-W415 HydrophobicContact CG1-CZ3 3.79Å; I380-W415 HydrophobicContact CG2-CD2 4.05Å; I380-W415 HydrophobicContact CG2-CE3 3.67Å; I380-W415 HydrophobicContact CG2-CH2 4.14Å; I380-W415 HydrophobicContact CG2-CZ2 4.46Å; I380-W415 HydrophobicContact CG2-CZ3 3.73Å; Q383-W415 HydrophobicContact CB-CZ2 4.29Å; M384-W415 HydrophobicContact CE-CB 3.9Å; M384-W415 HydrophobicContact CG-CB 3.7Å; M384-W415 HydrophobicContact CG-CD2 4.09Å; M384-W415 HydrophobicContact CG-CG 3.41Å; M384-W415 VanDerWaalsContact CG-CG 3.41Å; M384-W415 HydrophobicContact SD-CB 3.75Å; M384-W415 HydrophobicContact SD-CD2 4.5Å; M384-W415 HydrophobicContact SD-CG 3.95Å; R388-W415 PolarHBondContact O-NE1 3.26Å; S389-W415 WeakPolarHBondContact CA-O 3.33Å; G390-W415 PolarHBondContact N-O 3.44Å; G390-W415 PolarHBondContact O-N 3.07Å; R392-W415 HydrophobicContact CB-CH2 3.82Å; R392-W415 HydrophobicContact CB-CZ3 3.95Å; Y413-W415 WeakPolarHBondContact O-CZ3 3.33Å; W415-L425 CarbonylContact C-O 3.59Å; W415-L425 WeakPolarHBondContact CA-O 3.27Å
416T96.8Very high93.3Very high69 Ų6947.1 Ų47.142%0.42327%0.271SS..EExtended strand (participates in β ladder)trans-149.8144179.6-174.70000110S389 S424 L425S389-T416 PolarHBondContact OG-OG1 2.99Å; T416-S424 PolarHBondContact O-OG 2.78Å; T416-L425 PolarHBondContact N-O 3.35Å; T416-L425 PolarHBondContact O-N 2.9Å
417P95.9Very high93.4Very high47 Ų4749.2 Ų49.231%0.30528%0.282SS..EExtended strand (participates in β ladder)trans-66148.117030.4-35.5000110.6S389S389-P417 VanDerWaalsContact OG-CD 3.25Å; S389-P417 WeakPolarHBondContact OG-CD 3.33Å
418V93.8Very high93.5Very high61 Ų6148.8 Ų48.837%0.3728%0.28SS..  trans-89.1112.9173.9178.80000108.7G420 T421 Y423 L425V418-G420 PolarHBondContact O-N 2.85Å; V418-T421 WeakPolarHBondContact CB-OG1 3.31Å; V418-T421 PolarHBondContact O-N 2.96Å; V418-T421 VanDerWaalsContact O-N 3.15Å; V418-T421 PolarHBondContact O-OG1 2.98Å; V418-Y423 PolarHBondContact N-O 2.73Å; V418-L425 HydrophobicContact CG2-CB 4.01Å
419E90.9Very high93.6Very high194 Ų19446.4 Ų46.491%0.90727%0.27SS*.THydrogen-bonded Turntrans-55134.6-178.7-64.2-171.9174.600112T421E419-T421 VanDerWaalsContact C-N 3.31Å; E419-T421 PolarHBondContact O-N 3.08Å
420G85.4Confident93.7Very high86 Ų8646 Ų4689%0.88727%0.266SS*.THydrogen-bonded Turntrans83-1.8-17900000115.4V418V418-G420 PolarHBondContact O-N 2.85Å
421T88.9Confident93.3Very high45 Ų4544.7 Ų44.728%0.27626%0.263SS..SBendtrans-133.9174.7174.671.30000111.5V418 E419 Y423V418-T421 WeakPolarHBondContact CB-OG1 3.31Å; V418-T421 PolarHBondContact O-N 2.96Å; V418-T421 VanDerWaalsContact O-N 3.15Å; V418-T421 PolarHBondContact O-OG1 2.98Å; E419-T421 VanDerWaalsContact C-N 3.31Å; E419-T421 PolarHBondContact O-N 3.08Å; T421-Y423 HydrophobicContact CG2-CD2 4.46Å; T421-Y423 PolarHBondContact OG1-N 3.44Å
422N88.1Confident92.9Very high131 Ų13145.6 Ų45.670%0.70127%0.266SS*.SBendtrans-93.97.4174.1-61.4-27.1000112.9P342P342-N422 WeakPolarHBondContact CD-O 3.2Å; P342-N422 HydrophobicContact CG-CB 3.54Å; P342-N422 WeakPolarHBondContact CG-O 3.48Å
423Y93.2Very high92.5Very high28 Ų2846 Ų4611%0.1127%0.27CS..  trans-84149.6-179.9-63.3-65.7000111.5W268 T269 T340 D341 L347 V418 T421W268-Y423 HydrophobicContact CB-CE2 3.87Å; W268-Y423 WeakPolarHBondContact CB-OH 3.28Å; W268-Y423 AromaticContact CG-CE2 3.97Å; W268-Y423 HydrophobicContact CG-CE2 3.97Å; T269-Y423 PolarHBondContact O-OH 2.95Å; T340-Y423 WeakPolarHBondContact O-CA 3.45Å; D341-Y423 HydrophobicContact CB-CD1 4.07Å; D341-Y423 HydrophobicContact CB-CE1 3.89Å; L347-Y423 HydrophobicContact CD2-CD1 4.1Å; L347-Y423 HydrophobicContact CD2-CD2 4.42Å; L347-Y423 HydrophobicContact CD2-CE1 4.09Å; L347-Y423 HydrophobicContact CD2-CE2 4.4Å; L347-Y423 HydrophobicContact CD2-CG 4.27Å; V418-Y423 PolarHBondContact N-O 2.73Å; T421-Y423 HydrophobicContact CG2-CD2 4.46Å; T421-Y423 PolarHBondContact OG1-N 3.44Å
424S95.4Very high92Very high2 Ų251.6 Ų51.61%0.01430%0.296CS..EExtended strand (participates in β ladder)trans-115.7132.9168.1-1720000109.5A339 T340 T416A339-S424 CarbonylContact C-O 3.52Å; A339-S424 VanDerWaalsContact CA-O 3.3Å; A339-S424 WeakPolarHBondContact CA-O 3.25Å; T340-S424 PolarHBondContact N-O 3.2Å; T340-S424 PolarHBondContact O-N 2.85Å; T416-S424 PolarHBondContact O-OG 2.78Å
425L95.6Very high91.5Very high59 Ų5951.4 Ų51.431%0.30929%0.293SS..EExtended strand (participates in β ladder)trans-98129.6175.8-173.873.1000109.2A339 W415 T416 V418A339-L425 HydrophobicContact CB-CD1 4.15Å; W415-L425 CarbonylContact C-O 3.59Å; W415-L425 WeakPolarHBondContact CA-O 3.27Å; T416-L425 PolarHBondContact N-O 3.35Å; T416-L425 PolarHBondContact O-N 2.9Å; V418-L425 HydrophobicContact CG2-CB 4.01Å
426G95.1Very high90.9Very high1 Ų156.5 Ų56.51%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-113.4148.1173.600000111.8T337 F338 T414T337-G426 CarbonylContact C-O 3.55Å; T337-G426 WeakPolarHBondContact CA-O 3.36Å; F338-G426 PolarHBondContact N-O 3.35Å; F338-G426 WeakPolarHBondContact O-CA 3.31Å; F338-G426 PolarHBondContact O-N 2.83Å; F338-G426 VanDerWaalsContact O-O 3.06Å; T414-G426 CarbonylContact O-C 3.59Å; T414-G426 WeakPolarHBondContact O-CA 3.42Å
427L95.1Very high90.3Very high48 Ų4856.1 Ų56.125%0.25131%0.314SS..EExtended strand (participates in β ladder)trans-129.1126.6175.117465.2000108.3L331 T337 T414 L429L331-L427 HydrophobicContact CD1-CD1 3.58Å; L331-L427 HydrophobicContact CD2-CD1 3.82Å; L331-L427 HydrophobicContact CG-CD1 4.28Å; T337-L427 HydrophobicContact CG2-CD1 3.78Å; T414-L427 PolarHBondContact N-O 3.47Å; T414-L427 PolarHBondContact O-N 2.98Å; L427-L429 HydrophobicContact CD1-CD2 4.33Å; L427-L429 HydrophobicContact CD1-CG 4.25Å; L427-L429 HydrophobicContact CD2-CD1 3.97Å; L427-L429 HydrophobicContact CD2-CG 4.25Å; L427-L429 HydrophobicContact CG-CD1 4.34Å; L427-L429 HydrophobicContact CG-CG 4.07Å
428V95.2Very high89.8Confident0 Ų060.6 Ų60.60%033%0.329CS..EExtended strand (participates in β ladder)trans-110.3123.6175.9-172.60000108.4G335 Y336 F338 R411 Y413G335-V428 VanDerWaalsContact CA-O 3.26Å; G335-V428 WeakPolarHBondContact CA-O 3.29Å; Y336-V428 HydrophobicContact CD1-CB 4.05Å; Y336-V428 HydrophobicContact CD1-CG1 4.48Å; Y336-V428 HydrophobicContact CD2-CB 4.39Å; Y336-V428 HydrophobicContact CD2-CG2 4.24Å; Y336-V428 HydrophobicContact CE1-CB 3.66Å; Y336-V428 HydrophobicContact CE1-CG1 3.77Å; Y336-V428 HydrophobicContact CE1-CG2 4.07Å; Y336-V428 HydrophobicContact CE2-CB 4.05Å; Y336-V428 HydrophobicContact CE2-CG2 3.61Å; Y336-V428 HydrophobicContact CG-CB 4.39Å; Y336-V428 PolarHBondContact N-O 3.43Å; Y336-V428 PolarHBondContact O-N 2.82Å; F338-V428 HydrophobicContact CD1-CG2 3.77Å; F338-V428 HydrophobicContact CE1-CG2 3.49Å; F338-V428 VanDerWaalsContact CE1-CG2 3.49Å; R411-V428 HydrophobicContact CB-CG1 4.09Å; R411-V428 HydrophobicContact CG-CG1 4.33Å; Y413-V428 HydrophobicContact CD1-CG2 3.5Å; Y413-V428 HydrophobicContact CD2-CG1 4.38Å; Y413-V428 HydrophobicContact CE1-CB 4.47Å; Y413-V428 HydrophobicContact CE1-CG1 4.29Å; Y413-V428 HydrophobicContact CE1-CG2 3.36Å; Y413-V428 HydrophobicContact CE2-CG1 4.04Å; Y413-V428 HydrophobicContact CG-CG2 4.15Å
429L94.1Very high89.2Confident35 Ų3558.1 Ų58.118%0.18332%0.315CS..EExtended strand (participates in β ladder)trans-127.8137.7175.5-69.8175.8000111L331 T412 L427L331-L429 HydrophobicContact CB-CD2 3.87Å; L331-L429 HydrophobicContact CD2-CD2 4.23Å; T412-L429 PolarHBondContact N-O 2.72Å; T412-L429 PolarHBondContact O-N 2.86Å; L427-L429 HydrophobicContact CD1-CD2 4.33Å; L427-L429 HydrophobicContact CD1-CG 4.25Å; L427-L429 HydrophobicContact CD2-CD1 3.97Å; L427-L429 HydrophobicContact CD2-CG 4.25Å; L427-L429 HydrophobicContact CG-CD1 4.34Å; L427-L429 HydrophobicContact CG-CG 4.07Å
430P92.1Very high88.4Confident1 Ų154.7 Ų54.71%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-73.2155.9162.231.7-31.7000110.2N334 Y432 S433N334-P430 HydrophobicContact CB-CG 4.29Å; P430-Y432 HydrophobicContact CB-CD1 3.95Å; P430-Y432 HydrophobicContact CB-CD2 4.45Å; P430-Y432 HydrophobicContact CB-CE1 3.45Å; P430-Y432 VanDerWaalsContact CB-CE1 3.45Å; P430-Y432 HydrophobicContact CB-CE2 4.01Å; P430-Y432 HydrophobicContact CB-CG 4.41Å; P430-Y432 VanDerWaalsContact CB-CZ 3.46Å; P430-Y432 HydrophobicContact CG-CD2 4.17Å; P430-Y432 HydrophobicContact CG-CE1 4Å; P430-Y432 HydrophobicContact CG-CE2 3.58Å; P430-Y432 VanDerWaalsContact CG-CZ 3.46Å; P430-Y432 PolarHBondContact O-N 2.8Å; P430-S433 WeakPolarHBondContact CG-OG 3.2Å; P430-S433 PolarHBondContact O-N 3.4Å; P430-S433 VanDerWaalsContact O-N 3.09Å
431T86.2Confident87.4Confident51 Ų5152.1 Ų52.131%0.31327%0.269SS..G310 helixtrans-62.3-28.3-176.456.20000114M410 S433M410-T431 HydrophobicContact CB-CG2 4.32Å; T431-S433 VanDerWaalsContact C-N 3.35Å
432Y84.4Confident85.9Confident25 Ų2553.5 Ų53.510%0.09828%0.28CS..G310 helixtrans-82.1-12.8-179.958.1-103.4000113.2N334 P430 L583 D584 K627N334-Y432 PolarHBondContact ND2-OH 2.8Å; P430-Y432 HydrophobicContact CB-CD1 3.95Å; P430-Y432 HydrophobicContact CB-CD2 4.45Å; P430-Y432 HydrophobicContact CB-CE1 3.45Å; P430-Y432 VanDerWaalsContact CB-CE1 3.45Å; P430-Y432 HydrophobicContact CB-CE2 4.01Å; P430-Y432 HydrophobicContact CB-CG 4.41Å; P430-Y432 VanDerWaalsContact CB-CZ 3.46Å; P430-Y432 HydrophobicContact CG-CD2 4.17Å; P430-Y432 HydrophobicContact CG-CE1 4Å; P430-Y432 HydrophobicContact CG-CE2 3.58Å; P430-Y432 VanDerWaalsContact CG-CZ 3.46Å; P430-Y432 PolarHBondContact O-N 2.8Å; Y432-L583 VanDerWaalsContact CE1-O 3.3Å; Y432-L583 WeakPolarHBondContact CE1-O 3.47Å; Y432-L583 HydrophobicContact CE2-CB 4.16Å; Y432-L583 WeakPolarHBondContact OH-CB 3.46Å; Y432-D584 PolarHBondContact OH-OD1 2.93Å; Y432-K627 HydrophobicContact CD1-CD 4.46Å; Y432-K627 HydrophobicContact CD2-CD 4.26Å; Y432-K627 HydrophobicContact CG-CD 4.15Å
433S87.2Confident84.3Confident22 Ų2252 Ų5215%0.15427%0.272CS..G310 helixtrans-97.911.1177.9-62.70000113.2L331 P430 T431 N435L331-S433 WeakPolarHBondContact O-CB 3.05Å; P430-S433 WeakPolarHBondContact CG-OG 3.2Å; P430-S433 PolarHBondContact O-N 3.4Å; P430-S433 VanDerWaalsContact O-N 3.09Å; T431-S433 VanDerWaalsContact C-N 3.35Å; S433-N435 PolarHBondContact O-N 3.46Å
434E85.5Confident82.1Confident118 Ų11858.2 Ų58.255%0.55130%0.302SS*.SBendtrans-65.3-19.9171.1-67.4177.7-169.200112.2
435N85.9Confident79.6Confident49 Ų4965 Ų6526%0.26234%0.337SS..SBendtrans-124.6145.2174.1-56.5-79.8000109.5S433 K624 V626S433-N435 PolarHBondContact O-N 3.46Å; N435-K624 WeakPolarHBondContact OD1-CD 3.44Å; N435-K624 PolarHBondContact OD1-NZ 3.09Å; N435-V626 HydrophobicContact CB-CG2 4.14Å
436H85.3Confident77.3Confident114 Ų11466.9 Ų66.953%0.52835%0.347SS..  trans-129.6158.6175.365.3-86.7000110.8
437V83.9Confident74.9Confident61 Ų6170.1 Ų70.137%0.3736%0.362SS..  trans-86.4131.6174.3-175.70000109N518 V626V437-N518 PolarHBondContact O-ND2 2.91Å; V437-N518 VanDerWaalsContact O-ND2 3.1Å; V437-V626 HydrophobicContact CG2-CG1 3.97Å
438K85.6Confident72.1Confident142 Ų14271.1 Ų71.162%0.61738%0.376SS*.  trans-121.8115.3172.5173.7168.7-178.6-176.90109N440 L514K438-N440 PolarHBondContact O-N 2.82Å; K438-L514 HydrophobicContact CB-CD1 4.18Å; K438-L514 HydrophobicContact CD-CD1 3.81Å; K438-L514 HydrophobicContact CG-CD1 3.55Å
439A79.7Confident69.5Low9 Ų979.4 Ų79.47%0.07441%0.412CS..  trans-67.2128.4171.300000109.8H517 N518 L521A439-H517 HydrophobicContact CB-CB 3.86Å; A439-H517 WeakPolarHBondContact CB-O 3.43Å; A439-N518 VanDerWaalsContact CB-OD1 3.29Å; A439-N518 WeakPolarHBondContact CB-OD1 3.43Å; A439-N518 PolarHBondContact N-OD1 3.25Å; A439-L521 HydrophobicContact CB-CB 4.18Å; A439-L521 HydrophobicContact CB-CD2 3.93Å
440N74.3Confident67.1Low122 Ų12278.4 Ų78.465%0.65241%0.409SS*.  trans-112.694.3173.5-169.118.8000109.5K438 S442K438-N440 PolarHBondContact O-N 2.82Å; N440-S442 PolarHBondContact OD1-OG 3.39Å
441L65.1Low64.7Low32 Ų3280.9 Ų80.917%0.16843%0.429CS..  trans-98.116.9-177.4-80.1157.1000112.9D443 Q447 H517L441-D443 VanDerWaalsContact C-N 3.33Å; L441-D443 PolarHBondContact O-N 2.85Å; L441-Q447 WeakPolarHBondContact O-CG 3.48Å; L441-Q447 PolarHBondContact O-NE2 3.26Å; L441-H517 HydrophobicContact CD1-CB 3.74Å
442S57.3Low62.7Low73 Ų7386.5 Ų86.551%0.5145%0.452SS..  trans-75.8-9.2-172.163.80000115.9N440 Q444N440-S442 PolarHBondContact OD1-OG 3.39Å; S442-Q444 PolarHBondContact O-N 3.08Å
443D54.8Low60.8Low99 Ų9987.1 Ų87.153%0.52946%0.46SS..  trans-81.5113.8-177.1-90.9-15.1000111.3L441 I445 L446 Q447L441-D443 VanDerWaalsContact C-N 3.33Å; L441-D443 PolarHBondContact O-N 2.85Å; D443-I445 PolarHBondContact O-N 2.87Å; D443-L446 HydrophobicContact CB-CB 3.99Å; D443-L446 HydrophobicContact CB-CD1 3.97Å; D443-L446 HydrophobicContact CB-CG 4.4Å; D443-L446 CarbonylContact O-C 3.51Å; D443-L446 WeakPolarHBondContact O-CA 3.5Å; D443-L446 WeakPolarHBondContact O-CB 3.44Å; D443-L446 PolarHBondContact O-N 2.98Å; D443-Q447 WeakPolarHBondContact O-CG 3.43Å; D443-Q447 PolarHBondContact O-N 3.26Å
444Q47.2Very low59Low159 Ų15987.8 Ų87.874%0.74346%0.461SS*.Hα-helixtrans-56.4-25.9-179.3-68.2176.7-14.300114.2S442 A448S442-Q444 PolarHBondContact O-N 3.08Å; Q444-A448 PolarHBondContact O-N 3.2Å; Q444-A448 VanDerWaalsContact O-N 3.11Å
445I42Very low57.3Low144 Ų14487.7 Ų87.774%0.73846%0.463SS*.Hα-helixtrans-80.7-36.3176.9-60.7171.9000111.2D443 A448 K449D443-I445 PolarHBondContact O-N 2.87Å; I445-A448 PolarHBondContact O-N 3.33Å; I445-K449 PolarHBondContact O-N 3.19Å; I445-K449 VanDerWaalsContact O-N 3.15Å
446L47.5Very low55.7Low99 Ų9986.8 Ų86.852%0.51846%0.461SS..Hα-helixtrans-66.2-44.6167.3-87.7159.1000108.9D443 A448 K449 S450D443-L446 HydrophobicContact CB-CB 3.99Å; D443-L446 HydrophobicContact CB-CD1 3.97Å; D443-L446 HydrophobicContact CB-CG 4.4Å; D443-L446 CarbonylContact O-C 3.51Å; D443-L446 WeakPolarHBondContact O-CA 3.5Å; D443-L446 WeakPolarHBondContact O-CB 3.44Å; D443-L446 PolarHBondContact O-N 2.98Å; L446-A448 PolarHBondContact O-N 3.37Å; L446-A448 VanDerWaalsContact O-N 3.17Å; L446-K449 PolarHBondContact O-N 2.79Å; L446-S450 WeakPolarHBondContact O-CA 3.37Å; L446-S450 WeakPolarHBondContact O-CB 3.49Å; L446-S450 PolarHBondContact O-N 3.43Å
447Q44Very low54.5Low70 Ų7082.2 Ų82.233%0.32744%0.44SS..Hα-helixtrans-59.1-27.5174.6-68.3177.8-7.400114.2L441 D443 S450 A451L441-Q447 WeakPolarHBondContact O-CG 3.48Å; L441-Q447 PolarHBondContact O-NE2 3.26Å; D443-Q447 WeakPolarHBondContact O-CG 3.43Å; D443-Q447 PolarHBondContact O-N 3.26Å; Q447-S450 CarbonylContact O-C 3.48Å; Q447-A451 VanDerWaalsContact O-CA 3.3Å; Q447-A451 WeakPolarHBondContact O-CA 3.27Å; Q447-A451 WeakPolarHBondContact O-CB 3.42Å; Q447-A451 PolarHBondContact O-N 2.93Å
448A37.8Very low53.6Low68 Ų6881.6 Ų81.656%0.56243%0.433SS*.Hα-helixtrans-83.2-42.6177.100000113.7Q444 I445 L446 S450 A451Q444-A448 PolarHBondContact O-N 3.2Å; Q444-A448 VanDerWaalsContact O-N 3.11Å; I445-A448 PolarHBondContact O-N 3.33Å; L446-A448 PolarHBondContact O-N 3.37Å; L446-A448 VanDerWaalsContact O-N 3.17Å; A448-S450 VanDerWaalsContact C-N 3.3Å; A448-A451 PolarHBondContact O-N 3.21Å
449K40.3Very low52.7Low174 Ų17479.9 Ų79.976%0.75743%0.427SS*.Hα-helixtrans-68.5-34.9169.2-102.7-178.4175.2179.50111.7I445 L446 S453I445-K449 PolarHBondContact O-N 3.19Å; I445-K449 VanDerWaalsContact O-N 3.15Å; L446-K449 PolarHBondContact O-N 2.79Å; K449-S453 PolarHBondContact O-N 2.75Å
450S43.7Very low52.3Low15 Ų1579.5 Ų79.511%0.10542%0.423CS..Hα-helixtrans-83.1-9.9175.4-150.70000111.3L446 Q447 A448 Q452 S453 H454L446-S450 WeakPolarHBondContact O-CA 3.37Å; L446-S450 WeakPolarHBondContact O-CB 3.49Å; L446-S450 PolarHBondContact O-N 3.43Å; Q447-S450 CarbonylContact O-C 3.48Å; A448-S450 VanDerWaalsContact C-N 3.3Å; S450-Q452 VanDerWaalsContact C-N 3.31Å; S450-Q452 PolarHBondContact O-N 2.96Å; S450-S453 VanDerWaalsContact CA-OG 3.27Å; S450-S453 WeakPolarHBondContact CA-OG 3.4Å; S450-S453 CarbonylContact O-C 3.59Å; S450-S453 PolarHBondContact O-N 2.9Å; S450-S453 PolarHBondContact OG-OG 3.1Å; S450-H454 VanDerWaalsContact CB-CD2 3.47Å; S450-H454 WeakPolarHBondContact CB-CD2 3.41Å; S450-H454 VanDerWaalsContact CB-NE2 3.34Å; S450-H454 WeakPolarHBondContact CB-NE2 3.26Å; S450-H454 VanDerWaalsContact O-CA 3.26Å; S450-H454 WeakPolarHBondContact O-CA 3.2Å; S450-H454 WeakPolarHBondContact O-CB 3.26Å; S450-H454 PolarHBondContact O-CD2 3.19Å; S450-H454 PolarHBondContact O-N 3.33Å; S450-H454 PolarHBondContact OG-CD2 2.92Å; S450-H454 VanDerWaalsContact OG-CD2 3.24Å; S450-H454 PolarHBondContact OG-CE1 3.41Å; S450-H454 PolarHBondContact OG-ND1 3.27Å; S450-H454 PolarHBondContact OG-NE2 2.79Å
451A42Very low52.4Low52 Ų5274 Ų7443%0.4339%0.394SS..Hα-helixtrans-67.4-37.2170.700000110.6Q447 A448 L455Q447-A451 VanDerWaalsContact O-CA 3.3Å; Q447-A451 WeakPolarHBondContact O-CA 3.27Å; Q447-A451 WeakPolarHBondContact O-CB 3.42Å; Q447-A451 PolarHBondContact O-N 2.93Å; A448-A451 PolarHBondContact O-N 3.21Å; A451-L455 PolarHBondContact O-N 3.21Å
452Q43.3Very low53.1Low169 Ų16975 Ų7579%0.7940%0.399SS*.Hα-helixtrans-73.3-34.8170.7-96.6167.3-1400112.8S450 S456S450-Q452 VanDerWaalsContact C-N 3.31Å; S450-Q452 PolarHBondContact O-N 2.96Å; Q452-S456 PolarHBondContact O-N 2.78Å
453S45.1Very low54.1Low39 Ų3973.5 Ų73.527%0.27339%0.388SS..Hα-helixtrans-80.1-33.6176.487.60000113.2K449 S450 S456 D457K449-S453 PolarHBondContact O-N 2.75Å; S450-S453 VanDerWaalsContact CA-OG 3.27Å; S450-S453 WeakPolarHBondContact CA-OG 3.4Å; S450-S453 CarbonylContact O-C 3.59Å; S450-S453 PolarHBondContact O-N 2.9Å; S450-S453 PolarHBondContact OG-OG 3.1Å; S453-S456 WeakPolarHBondContact CA-OG 3.37Å; S453-S456 CarbonylContact O-C 3.58Å; S453-S456 WeakPolarHBondContact O-CA 3.49Å; S453-S456 PolarHBondContact O-N 3.38Å; S453-S456 VanDerWaalsContact O-N 3.08Å; S453-S456 PolarHBondContact O-OG 3.44Å; S453-D457 WeakPolarHBondContact O-CB 3.28Å; S453-D457 PolarHBondContact O-N 3.46Å; S453-D457 VanDerWaalsContact O-OD2 3.06Å
454H49.4Very low55.2Low36 Ų3675.8 Ų75.817%0.16740%0.4CS..Hα-helixtrans-66.1-40.7175.4-72.9-48.3000109.3S450 S456 D457 F458S450-H454 VanDerWaalsContact CB-CD2 3.47Å; S450-H454 WeakPolarHBondContact CB-CD2 3.41Å; S450-H454 VanDerWaalsContact CB-NE2 3.34Å; S450-H454 WeakPolarHBondContact CB-NE2 3.26Å; S450-H454 VanDerWaalsContact O-CA 3.26Å; S450-H454 WeakPolarHBondContact O-CA 3.2Å; S450-H454 WeakPolarHBondContact O-CB 3.26Å; S450-H454 PolarHBondContact O-CD2 3.19Å; S450-H454 PolarHBondContact O-N 3.33Å; S450-H454 PolarHBondContact OG-CD2 2.92Å; S450-H454 VanDerWaalsContact OG-CD2 3.24Å; S450-H454 PolarHBondContact OG-CE1 3.41Å; S450-H454 PolarHBondContact OG-ND1 3.27Å; S450-H454 PolarHBondContact OG-NE2 2.79Å; H454-S456 VanDerWaalsContact C-N 3.29Å; H454-S456 PolarHBondContact O-N 3.38Å; H454-D457 PolarHBondContact O-N 2.85Å; H454-F458 HydrophobicContact CB-CD2 4.5Å; H454-F458 WeakPolarHBondContact O-CB 3.28Å; H454-F458 VanDerWaalsContact O-CD2 3.26Å; H454-F458 WeakPolarHBondContact O-CD2 3.37Å; H454-F458 PolarHBondContact O-N 3.01Å
455L49.9Very low56.8Low115 Ų11568.9 Ų68.960%0.60237%0.369SS*.Hα-helixtrans-55.8-47.5168.9-118.292.4000110.6A451 D457 F458 E459A451-L455 PolarHBondContact O-N 3.21Å; L455-D457 PolarHBondContact O-N 2.9Å; L455-F458 PolarHBondContact O-N 2.95Å; L455-E459 VanDerWaalsContact O-CB 3.3Å; L455-E459 WeakPolarHBondContact O-CB 3.26Å; L455-E459 WeakPolarHBondContact O-CG 3.18Å; L455-E459 PolarHBondContact O-N 2.95Å
456S52.6Low58.8Low31 Ų3162.5 Ų62.522%0.21734%0.336CS..Hα-helixtrans-69.6-29.517972.70000114.5Q452 S453 H454 S460 R527Q452-S456 PolarHBondContact O-N 2.78Å; S453-S456 WeakPolarHBondContact CA-OG 3.37Å; S453-S456 CarbonylContact O-C 3.58Å; S453-S456 WeakPolarHBondContact O-CA 3.49Å; S453-S456 PolarHBondContact O-N 3.38Å; S453-S456 VanDerWaalsContact O-N 3.08Å; S453-S456 PolarHBondContact O-OG 3.44Å; H454-S456 VanDerWaalsContact C-N 3.29Å; H454-S456 PolarHBondContact O-N 3.38Å; S456-S460 PolarHBondContact O-N 3.16Å; S456-S460 VanDerWaalsContact O-N 3.16Å; S456-R527 PolarHBondContact OG-NH2 3.18Å
457D59.6Low60.4Low18 Ų1866 Ų6610%0.09635%0.35CS..Hα-helixtrans-79.1-36.6179.1-62.7-30.8000109.9S453 H454 L455 S460 T523 R527S453-D457 WeakPolarHBondContact O-CB 3.28Å; S453-D457 PolarHBondContact O-N 3.46Å; S453-D457 VanDerWaalsContact O-OD2 3.06Å; H454-D457 PolarHBondContact O-N 2.85Å; L455-D457 PolarHBondContact O-N 2.9Å; D457-S460 WeakPolarHBondContact O-CB 3.28Å; D457-S460 PolarHBondContact O-N 2.91Å; D457-S460 PolarHBondContact O-OG 2.61Å; D457-T523 VanDerWaalsContact O-CG2 3.24Å; D457-T523 WeakPolarHBondContact O-CG2 3.34Å; D457-R527 IonicContact OD1-CZ 3.3Å; D457-R527 VanDerWaalsContact OD1-CZ 3.3Å; D457-R527 IonicContact OD1-NE 2.92Å; D457-R527 PolarHBondContact OD1-NE 2.91Å; D457-R527 IonicContact OD1-NH2 2.83Å; D457-R527 PolarHBondContact OD1-NH2 2.79Å
458F64.6Low62.1Low48 Ų4865.6 Ų65.621%0.21136%0.355CS..Hα-helixtrans-69.8-37.4168.7-86.8-77.9000112.3H454 L455 S460 L461 M501 I520H454-F458 HydrophobicContact CB-CD2 4.5Å; H454-F458 WeakPolarHBondContact O-CB 3.28Å; H454-F458 VanDerWaalsContact O-CD2 3.26Å; H454-F458 WeakPolarHBondContact O-CD2 3.37Å; H454-F458 PolarHBondContact O-N 3.01Å; L455-F458 PolarHBondContact O-N 2.95Å; F458-S460 PolarHBondContact O-N 2.7Å; F458-L461 HydrophobicContact CD1-CD1 4.2Å; F458-L461 WeakPolarHBondContact O-CB 3.3Å; F458-L461 PolarHBondContact O-N 3.46Å; F458-M501 HydrophobicContact CE1-CB 3.84Å; F458-M501 HydrophobicContact CE1-CE 4.29Å; F458-M501 HydrophobicContact CE1-CG 4.02Å; F458-M501 HydrophobicContact CZ-CB 4.33Å; F458-M501 HydrophobicContact CZ-CE 3.78Å; F458-M501 HydrophobicContact CZ-CG 4.46Å; F458-I520 HydrophobicContact CE2-CD1 3.99Å; F458-I520 HydrophobicContact CE2-CG1 4.14Å; F458-I520 HydrophobicContact CZ-CD1 3.9Å; F458-I520 HydrophobicContact CZ-CG1 3.98Å
459E65.9Low64.2Low106 Ų10663.6 Ų63.650%0.49533%0.334SS..Hα-helixtrans-59-31.9172.2-81.3172-176.200111.7L455 L461 L462L455-E459 VanDerWaalsContact O-CB 3.3Å; L455-E459 WeakPolarHBondContact O-CB 3.26Å; L455-E459 WeakPolarHBondContact O-CG 3.18Å; L455-E459 PolarHBondContact O-N 2.95Å; E459-L461 PolarHBondContact O-N 3.01Å; E459-L462 HydrophobicContact CB-CD1 4.36Å; E459-L462 HydrophobicContact CG-CD1 4.15Å; E459-L462 WeakPolarHBondContact O-CB 3.31Å; E459-L462 PolarHBondContact O-N 3.25Å; E459-L462 VanDerWaalsContact O-N 3.08Å
460S71.6Confident66.3Low0 Ų055.3 Ų55.30%030%0.298CS..THydrogen-bonded Turntrans-68.3-18.2175.984.30000114.1S456 D457 F458 S465 E469 T523S456-S460 PolarHBondContact O-N 3.16Å; S456-S460 VanDerWaalsContact O-N 3.16Å; D457-S460 WeakPolarHBondContact O-CB 3.28Å; D457-S460 PolarHBondContact O-N 2.91Å; D457-S460 PolarHBondContact O-OG 2.61Å; F458-S460 PolarHBondContact O-N 2.7Å; S460-S465 PolarHBondContact O-OG 3.08Å; S460-E469 WeakPolarHBondContact CB-OE2 3.24Å; S460-T523 WeakPolarHBondContact OG-CG2 3.22Å
461L76.4Confident68.6Low7 Ų755.8 Ų55.84%0.03730%0.298CS..THydrogen-bonded Turntrans-85.6-14.5173.1-61175.2000112.4F458 E459 V472 L494 I498 T523F458-L461 HydrophobicContact CD1-CD1 4.2Å; F458-L461 WeakPolarHBondContact O-CB 3.3Å; F458-L461 PolarHBondContact O-N 3.46Å; E459-L461 PolarHBondContact O-N 3.01Å; L461-V472 HydrophobicContact CD2-CG1 3.82Å; L461-L494 WeakPolarHBondContact O-CD2 3.45Å; L461-I498 HydrophobicContact CB-CD1 4.12Å; L461-T523 HydrophobicContact CD1-CG2 4.41Å; L461-T523 HydrophobicContact CD2-CG2 3.72Å; L461-T523 HydrophobicContact CG-CG2 3.87Å
462L79.3Confident70.8Confident54 Ų5453.4 Ų53.428%0.28328%0.279SS..SBendtrans-70.2140.6-178.7-68.5169.5000110.7E459 N464 S465 I498E459-L462 HydrophobicContact CB-CD1 4.36Å; E459-L462 HydrophobicContact CG-CD1 4.15Å; E459-L462 WeakPolarHBondContact O-CB 3.31Å; E459-L462 PolarHBondContact O-N 3.25Å; E459-L462 VanDerWaalsContact O-N 3.08Å; L462-N464 PolarHBondContact O-N 3.34Å; L462-S465 WeakPolarHBondContact O-CB 3.48Å; L462-S465 PolarHBondContact O-N 3.22Å; L462-S465 PolarHBondContact O-OG 3.39Å; L462-I498 HydrophobicContact CD2-CD1 4.12Å; L462-I498 HydrophobicContact CD2-CG2 3.99Å
463P78.8Confident73.1Confident41 Ų4146.6 Ų46.627%0.26625%0.246SC..G310 helixtrans-54.6-28177-28.735.9000114.5S465 F466 L495P463-S465 PolarHBondContact O-N 3.43Å; P463-F466 HydrophobicContact CB-CD2 4.27Å; P463-F466 HydrophobicContact CB-CE2 4.16Å; P463-F466 HydrophobicContact CG-CE2 4.43Å; P463-F466 WeakPolarHBondContact O-CB 3.13Å; P463-F466 WeakPolarHBondContact O-CG 3.45Å; P463-F466 PolarHBondContact O-N 3.41Å; P463-F466 VanDerWaalsContact O-N 3.14Å; P463-L495 HydrophobicContact CG-CD2 3.96Å
464N78.6Confident75.2Confident147 Ų14744.9 Ų44.979%0.78623%0.234SC*.G310 helixtrans-64.2-25.1178-61.5-12.2000113.1L462 F466L462-N464 PolarHBondContact O-N 3.34Å; N464-F466 VanDerWaalsContact C-N 3.35Å
465S80.3Confident77Confident14 Ų1443.1 Ų43.110%0.09823%0.226CC..G310 helixtrans-78.5-22.6177.876.40000111.7S460 L462 P463 E467 S468 E469S460-S465 PolarHBondContact O-OG 3.08Å; L462-S465 WeakPolarHBondContact O-CB 3.48Å; L462-S465 PolarHBondContact O-N 3.22Å; L462-S465 PolarHBondContact O-OG 3.39Å; P463-S465 PolarHBondContact O-N 3.43Å; S465-E467 PolarHBondContact O-N 2.57Å; S465-E467 VanDerWaalsContact O-N 3.1Å; S465-S468 PolarHBondContact O-N 3.26Å; S465-S468 PolarHBondContact O-OG 3.38Å; S465-S468 VanDerWaalsContact O-OG 3.12Å; S465-E469 WeakPolarHBondContact O-CB 3.43Å; S465-E469 PolarHBondContact O-N 3.14Å
466F84Confident78.4Confident10 Ų1039.2 Ų39.24%0.04421%0.208CC..Hα-helixtrans-58.8-33.7-166.9-66.5-5.5000113.6P463 N464 S468 G470 H471 V472 L494P463-F466 HydrophobicContact CB-CD2 4.27Å; P463-F466 HydrophobicContact CB-CE2 4.16Å; P463-F466 HydrophobicContact CG-CE2 4.43Å; P463-F466 WeakPolarHBondContact O-CB 3.13Å; P463-F466 WeakPolarHBondContact O-CG 3.45Å; P463-F466 PolarHBondContact O-N 3.41Å; P463-F466 VanDerWaalsContact O-N 3.14Å; N464-F466 VanDerWaalsContact C-N 3.35Å; F466-S468 VanDerWaalsContact C-N 3.34Å; F466-S468 PolarHBondContact O-N 3.1Å; F466-G470 WeakPolarHBondContact CA-O 3.37Å; F466-G470 WeakPolarHBondContact CD1-O 3.43Å; F466-G470 CarbonylContact O-C 3.58Å; F466-G470 VanDerWaalsContact O-CA 3.28Å; F466-G470 WeakPolarHBondContact O-CA 3.35Å; F466-G470 PolarHBondContact O-N 3.32Å; F466-H471 HydrophobicContact CD2-CB 4.5Å; F466-H471 AromaticContact CD2-CD2 3.37Å; F466-H471 WeakPolarHBondContact CD2-CD2 3.46Å; F466-H471 AromaticContact CD2-NE2 3.85Å; F466-H471 AromaticContact CE2-CD2 3.52Å; F466-H471 AromaticContact CE2-NE2 3.53Å; F466-V472 HydrophobicContact CD1-CG2 4.44Å; F466-V472 HydrophobicContact CE1-CB 3.78Å; F466-V472 HydrophobicContact CE1-CG2 3.88Å; F466-V472 HydrophobicContact CZ-CB 4.07Å; F466-L494 HydrophobicContact CZ-CD2 3.68Å
467E81.1Confident79.3Confident172 Ų17241.6 Ų41.680%0.80422%0.224SC*.Hα-helixtrans-60.2-43.6176.9-66.6-169.7163.800112.5S465S465-E467 PolarHBondContact O-N 2.57Å; S465-E467 VanDerWaalsContact O-N 3.1Å
468S80.9Confident80.3Confident62 Ų6241.3 Ų41.343%0.43422%0.222SC..Hα-helixtrans-87.7-29.4-177.374.70000112.4S465 F466 K535S465-S468 PolarHBondContact O-N 3.26Å; S465-S468 PolarHBondContact O-OG 3.38Å; S465-S468 VanDerWaalsContact O-OG 3.12Å; F466-S468 VanDerWaalsContact C-N 3.34Å; F466-S468 PolarHBondContact O-N 3.1Å; S468-K535 WeakPolarHBondContact O-CE 3.11Å
469E80.9Confident80.9Confident26 Ų2644.6 Ų44.612%0.12124%0.238CC..Hα-helixtrans-122.4-7.5-156.4-114.9-171.7-123.300111.5S460 S465 V530 R557S460-E469 WeakPolarHBondContact CB-OE2 3.24Å; S465-E469 WeakPolarHBondContact O-CB 3.43Å; S465-E469 PolarHBondContact O-N 3.14Å; E469-V530 WeakPolarHBondContact O-CG1 3.46Å; E469-R557 PolarHBondContact O-NE 3Å; E469-R557 PolarHBondContact O-NH2 2.79Å; E469-R557 IonicContact OE2-CZ 3.73Å; E469-R557 IonicContact OE2-NH1 3.82Å; E469-R557 IonicContact OE2-NH2 2.74Å; E469-R557 PolarHBondContact OE2-NH2 3.39Å
470G85.1Confident81.6Confident0 Ų039.6 Ų39.60%021%0.214CC..  trans91.7154.4-179.400000112.8F466 V558F466-G470 WeakPolarHBondContact CA-O 3.37Å; F466-G470 WeakPolarHBondContact CD1-O 3.43Å; F466-G470 CarbonylContact O-C 3.58Å; F466-G470 VanDerWaalsContact O-CA 3.28Å; F466-G470 WeakPolarHBondContact O-CA 3.35Å; F466-G470 PolarHBondContact O-N 3.32Å; G470-V558 CarbonylContact C-O 3.56Å; G470-V558 VanDerWaalsContact CA-O 3.27Å; G470-V558 WeakPolarHBondContact CA-O 3.44Å
471H90.3Very high82.1Confident24 Ų2440 Ų4011%0.11122%0.217CC..EExtended strand (participates in β ladder)trans-71.9138.1-179-167.3-85000111F466 F473 R557 V558 N561 A564F466-H471 HydrophobicContact CD2-CB 4.5Å; F466-H471 AromaticContact CD2-CD2 3.37Å; F466-H471 WeakPolarHBondContact CD2-CD2 3.46Å; F466-H471 AromaticContact CD2-NE2 3.85Å; F466-H471 AromaticContact CE2-CD2 3.52Å; F466-H471 AromaticContact CE2-NE2 3.53Å; H471-F473 AromaticContact CE1-CD1 3.68Å; H471-F473 AromaticContact CE1-CE1 3.29Å; H471-F473 WeakPolarHBondContact CE1-CE1 3.35Å; H471-F473 AromaticContact CE1-CZ 3.59Å; H471-F473 AromaticContact ND1-CD1 3.81Å; H471-F473 AromaticContact ND1-CD2 3.86Å; H471-F473 AromaticContact ND1-CE1 3.48Å; H471-F473 WeakPolarHBondContact ND1-CE1 3.32Å; H471-F473 AromaticContact ND1-CE2 3.52Å; H471-F473 AromaticContact ND1-CZ 3.33Å; H471-F473 VanDerWaalsContact ND1-CZ 3.33Å; H471-F473 WeakPolarHBondContact ND1-CZ 2.95Å; H471-R557 CarbonylContact O-C 3.54Å; H471-R557 WeakPolarHBondContact O-CA 3.41Å; H471-R557 WeakPolarHBondContact O-CG 3.22Å; H471-V558 PolarHBondContact N-O 3.4Å; H471-V558 PolarHBondContact O-N 2.95Å; H471-N561 WeakPolarHBondContact CB-OD1 3.42Å; H471-N561 PolarHBondContact CD2-OD1 3.24Å; H471-A564 HydrophobicContact CB-CB 3.32Å; H471-A564 VanDerWaalsContact CG-CB 3.5Å
472V90Very high82.2Confident3 Ų345.8 Ų45.82%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-111.4129178.2-178.60000110.3L461 F466 I555 R557L461-V472 HydrophobicContact CD2-CG1 3.82Å; F466-V472 HydrophobicContact CD1-CG2 4.44Å; F466-V472 HydrophobicContact CE1-CB 3.78Å; F466-V472 HydrophobicContact CE1-CG2 3.88Å; F466-V472 HydrophobicContact CZ-CB 4.07Å; V472-I555 HydrophobicContact CG1-CG2 3.9Å; V472-R557 HydrophobicContact CG2-CG 4.03Å
473F90.3Very high82Confident26 Ų2647.9 Ų47.911%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-107.1134.7167.7-63.2-71.1000109.1H471 N490 I555 T556 V558 A564 W567 P571H471-F473 AromaticContact CE1-CD1 3.68Å; H471-F473 AromaticContact CE1-CE1 3.29Å; H471-F473 WeakPolarHBondContact CE1-CE1 3.35Å; H471-F473 AromaticContact CE1-CZ 3.59Å; H471-F473 AromaticContact ND1-CD1 3.81Å; H471-F473 AromaticContact ND1-CD2 3.86Å; H471-F473 AromaticContact ND1-CE1 3.48Å; H471-F473 WeakPolarHBondContact ND1-CE1 3.32Å; H471-F473 AromaticContact ND1-CE2 3.52Å; H471-F473 AromaticContact ND1-CZ 3.33Å; H471-F473 VanDerWaalsContact ND1-CZ 3.33Å; H471-F473 WeakPolarHBondContact ND1-CZ 2.95Å; F473-N490 WeakPolarHBondContact CB-ND2 3.36Å; F473-N490 HydrophobicContact CD1-CB 4.25Å; F473-N490 WeakPolarHBondContact CD1-ND2 3.19Å; F473-I555 WeakPolarHBondContact O-CA 3.35Å; F473-T556 PolarHBondContact N-O 2.93Å; F473-T556 PolarHBondContact O-N 3.34Å; F473-V558 HydrophobicContact CD2-CG2 4.27Å; F473-V558 HydrophobicContact CE2-CG2 3.99Å; F473-A564 HydrophobicContact CE2-CB 4.38Å; F473-A564 HydrophobicContact CZ-CB 4.24Å; F473-W567 HydrophobicContact CE2-CB 4.39Å; F473-W567 AromaticContact CE2-CD1 3.77Å; F473-W567 HydrophobicContact CE2-CG 4.1Å; F473-W567 HydrophobicContact CZ-CB 4.48Å; F473-P571 HydrophobicContact CB-CB 4.06Å; F473-P571 HydrophobicContact CG-CB 4.49Å
474I89.3Confident82.1Confident2 Ų246.9 Ų46.91%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-109.1145.3171.3-172.2170.3000109.2P476 Y480 N490 F493 L494 F497 L519 G554I474-P476 WeakPolarHBondContact O-CD 3.24Å; I474-Y480 HydrophobicContact CD1-CE2 4.01Å; I474-Y480 HydrophobicContact CG1-CE2 4.13Å; I474-N490 WeakPolarHBondContact CG2-OD1 3.35Å; I474-N490 PolarHBondContact N-ND2 3.25Å; I474-N490 PolarHBondContact O-ND2 2.86Å; I474-N490 PolarHBondContact O-OD1 3.24Å; I474-N490 VanDerWaalsContact O-OD1 3.09Å; I474-F493 HydrophobicContact CG1-CE1 4.44Å; I474-F493 HydrophobicContact CG2-CD1 3.49Å; I474-F493 VanDerWaalsContact CG2-CD1 3.49Å; I474-F493 HydrophobicContact CG2-CE1 3.69Å; I474-L494 HydrophobicContact CB-CD1 4.25Å; I474-L494 HydrophobicContact CG2-CB 4.09Å; I474-L494 HydrophobicContact CG2-CD1 3.86Å; I474-F497 HydrophobicContact CD1-CD1 3.82Å; I474-F497 HydrophobicContact CD1-CD2 4.17Å; I474-F497 HydrophobicContact CD1-CE1 3.94Å; I474-F497 HydrophobicContact CD1-CE2 4.28Å; I474-F497 HydrophobicContact CD1-CG 3.95Å; I474-F497 HydrophobicContact CD1-CZ 4.18Å; I474-L519 HydrophobicContact CD1-CD1 4.28Å; I474-L519 HydrophobicContact CD1-CD2 3.84Å; I474-L519 HydrophobicContact CG1-CD1 4.36Å; I474-G554 CarbonylContact C-O 3.58Å
475A87.8Confident82Confident0 Ų046.8 Ų46.80%025%0.247CC..  trans-64.7109.9176.300000111.5S477 R478 Y480 G554 E572A475-S477 VanDerWaalsContact C-N 3.34Å; A475-R478 HydrophobicContact CB-CG 4.13Å; A475-Y480 VanDerWaalsContact O-CE2 3.25Å; A475-Y480 WeakPolarHBondContact O-CE2 3.35Å; A475-Y480 PolarHBondContact O-OH 3.34Å; A475-G554 VanDerWaalsContact CB-O 3.25Å; A475-G554 WeakPolarHBondContact CB-O 3.28Å; A475-G554 PolarHBondContact N-O 3.41Å; A475-E572 VanDerWaalsContact CB-CD 3.46Å; A475-E572 WeakPolarHBondContact CB-OE2 3.32Å
476P80.1Confident81.9Confident33 Ų3352.3 Ų52.321%0.21427%0.274CS..THydrogen-bonded Turntrans-79.7-17.2-178.332.8-34.3000113.2I474 R478 L486 F493 P571I474-P476 WeakPolarHBondContact O-CD 3.24Å; P476-R478 PolarHBondContact O-N 2.95Å; P476-L486 WeakPolarHBondContact O-CD2 3.01Å; P476-F493 VanDerWaalsContact CA-CE1 3.49Å; P476-F493 HydrophobicContact CB-CD1 3.97Å; P476-F493 HydrophobicContact CB-CD2 4.46Å; P476-F493 HydrophobicContact CB-CE1 4.02Å; P476-F493 HydrophobicContact CB-CE2 4.48Å; P476-F493 HydrophobicContact CB-CG 4.21Å; P476-F493 HydrophobicContact CB-CZ 4.26Å; P476-P571 HydrophobicContact CG-CG 4.46Å
477S71Confident81.7Confident81 Ų8152.8 Ų52.857%0.56628%0.279SS*.THydrogen-bonded Turntrans-81.2-1.2-173.879.60000114.2A475 E572A475-S477 VanDerWaalsContact C-N 3.34Å; S477-E572 PolarHBondContact OG-OE2 3.41Å
478R80.1Confident81.5Confident12 Ų1253.4 Ų53.45%0.04529%0.288CS..SBendtrans-96.5126.2-177.9-61-179.7-173.1-152-3.3110.3A475 P476 Y480 D552 G553 G554 E572 F574A475-R478 HydrophobicContact CB-CG 4.13Å; P476-R478 PolarHBondContact O-N 2.95Å; R478-Y480 HydrophobicContact CB-CD2 4.21Å; R478-Y480 HydrophobicContact CB-CE1 4.2Å; R478-Y480 HydrophobicContact CB-CE2 3.82Å; R478-Y480 VanDerWaalsContact O-CD2 3.32Å; R478-Y480 WeakPolarHBondContact O-CD2 3.14Å; R478-Y480 PolarHBondContact O-N 3.05Å; R478-D552 VanDerWaalsContact CZ-O 3.28Å; R478-D552 PolarHBondContact NH1-O 3.32Å; R478-D552 PolarHBondContact NH2-O 2.7Å; R478-G553 PolarHBondContact NH1-O 2.82Å; R478-G554 VanDerWaalsContact CZ-CA 3.48Å; R478-E572 IonicContact CZ-OE1 3.46Å; R478-E572 IonicContact NE-OE1 2.83Å; R478-E572 PolarHBondContact NE-OE1 3.43Å; R478-E572 IonicContact NE-OE2 3.18Å; R478-E572 IonicContact NH2-OE1 2.69Å; R478-E572 PolarHBondContact NH2-OE1 3.06Å; R478-E572 VanDerWaalsContact NH2-OE1 3.09Å; R478-F574 VanDerWaalsContact NH2-CE2 3.25Å; R478-F574 VanDerWaalsContact NH2-CZ 3.32Å
479E76.9Confident81.7Confident116 Ų11654.8 Ų54.854%0.54229%0.29SS..  trans-75.672.4173.4-65.1-177.217200110K324 C481K324-E479 WeakPolarHBondContact CE-OE1 3.17Å; E479-C481 VanDerWaalsContact C-N 3.32Å; E479-C481 PolarHBondContact O-N 3.19Å
480Y81Confident82Confident1 Ų154.3 Ų54.30%0.00429%0.289CS..SBendtrans-60.3-43.4178.8-63.8-76.9000111.9I474 A475 R478 L484 F493 F497 C511 D512 L515 L516 L519I474-Y480 HydrophobicContact CD1-CE2 4.01Å; I474-Y480 HydrophobicContact CG1-CE2 4.13Å; A475-Y480 VanDerWaalsContact O-CE2 3.25Å; A475-Y480 WeakPolarHBondContact O-CE2 3.35Å; A475-Y480 PolarHBondContact O-OH 3.34Å; R478-Y480 HydrophobicContact CB-CD2 4.21Å; R478-Y480 HydrophobicContact CB-CE1 4.2Å; R478-Y480 HydrophobicContact CB-CE2 3.82Å; R478-Y480 VanDerWaalsContact O-CD2 3.32Å; R478-Y480 WeakPolarHBondContact O-CD2 3.14Å; R478-Y480 PolarHBondContact O-N 3.05Å; Y480-L484 HydrophobicContact CD2-CD2 4.06Å; Y480-F493 HydrophobicContact CD2-CZ 4.42Å; Y480-F493 HydrophobicContact CE2-CE1 4.42Å; Y480-F493 HydrophobicContact CE2-CZ 4.36Å; Y480-F497 HydrophobicContact CD1-CE2 4.38Å; Y480-F497 HydrophobicContact CD2-CD2 4.27Å; Y480-F497 HydrophobicContact CD2-CE2 4.14Å; Y480-F497 AromaticContact CG-CE2 3.97Å; Y480-F497 HydrophobicContact CG-CE2 3.97Å; Y480-C511 CarbonylContact O-C 3.59Å; Y480-C511 VanDerWaalsContact O-CA 3.28Å; Y480-C511 WeakPolarHBondContact O-CA 3.34Å; Y480-C511 WeakPolarHBondContact O-CB 3.17Å; Y480-D512 PolarHBondContact O-N 3.05Å; Y480-L515 HydrophobicContact CD1-CB 4.1Å; Y480-L515 HydrophobicContact CE1-CB 4.48Å; Y480-L516 HydrophobicContact CD1-CD2 4.18Å; Y480-L519 HydrophobicContact CE1-CD1 4.29Å; Y480-L519 HydrophobicContact CE1-CD2 4.07Å
481C82.3Confident82Confident9 Ų956.8 Ų56.86%0.06130%0.304CS..BIsolated β-bridgetrans-145.6150.2178.4-58.80000109.6E479 D483 L484 L500 Q510 C511E479-C481 VanDerWaalsContact C-N 3.32Å; E479-C481 PolarHBondContact O-N 3.19Å; C481-D483 VanDerWaalsContact C-N 3.28Å; C481-D483 PolarHBondContact O-N 2.92Å; C481-L484 PolarHBondContact O-N 2.84Å; C481-L500 HydrophobicContact CB-CD2 3.69Å; C481-Q510 WeakPolarHBondContact CA-O 3.13Å; C481-C511 HydrophobicContact CB-CB 4.04Å; C481-C511 WeakPolarHBondContact CB-SG 3.12Å; C481-C511 WeakPolarHBondContact SG-CB 2.84Å; C481-C511 CovalentContact SG-SG 2.04Å; C481-C511 PolarHBondContact SG-SG 3.28Å
482N78Confident81.8Confident128 Ų12860.5 Ų60.568%0.68432%0.321SS*.THydrogen-bonded Turntrans-65.7-28.5-179.5-68.5-35.3000114Q510N482-Q510 PolarHBondContact N-O 3.16Å; N482-Q510 VanDerWaalsContact N-O 3.13Å
483D76Confident81.7Confident98 Ų9860.4 Ų60.452%0.52432%0.321SS..THydrogen-bonded Turntrans-93.27.2-174.3-61.4-31.2000113.2C481 Q510C481-D483 VanDerWaalsContact C-N 3.28Å; C481-D483 PolarHBondContact O-N 2.92Å; D483-Q510 PolarHBondContact OD2-NE2 3.47Å; D483-Q510 VanDerWaalsContact OD2-NE2 3.16Å
484L79.9Confident81.6Confident20 Ų2059.2 Ų59.211%0.10532%0.315CS..PPolyproline II helixtrans-81.5122.2-179-174.565.3000110.9Y480 C481 L486 F493 N496 F497 L500Y480-L484 HydrophobicContact CD2-CD2 4.06Å; C481-L484 PolarHBondContact O-N 2.84Å; L484-L486 PolarHBondContact O-N 2.96Å; L484-F493 HydrophobicContact CD2-CE2 3.53Å; L484-F493 HydrophobicContact CD2-CZ 3.48Å; L484-F493 VanDerWaalsContact CD2-CZ 3.48Å; L484-F493 HydrophobicContact CG-CE2 3.88Å; L484-F493 HydrophobicContact CG-CZ 4.33Å; L484-N496 HydrophobicContact CD1-CB 4.38Å; L484-F497 HydrophobicContact CD1-CB 4.18Å; L484-F497 HydrophobicContact CD2-CD2 4.09Å; L484-L500 HydrophobicContact CB-CD2 4.06Å; L484-L500 HydrophobicContact CD1-CD2 4.08Å
485E76.8Confident81.4Confident145 Ų14563.1 Ų63.168%0.67834%0.336SS*.PPolyproline II helixtrans-74.1119.6175-67.7-175.1175.300110.8
486L78.7Confident81.3Confident130 Ų13065.4 Ų65.468%0.68135%0.348SS*.PPolyproline II helixtrans-75127.8174.2-63.1172.6000109.6P476 L484 F493P476-L486 WeakPolarHBondContact O-CD2 3.01Å; L484-L486 PolarHBondContact O-N 2.96Å; L486-F493 HydrophobicContact CD2-CE2 4Å
487S78.7Confident81.6Confident21 Ų2163.9 Ų63.915%0.14734%0.338CS..  trans-127.3152.117270.50000111N489 F493S487-N489 VanDerWaalsContact C-N 3.3Å; S487-N489 PolarHBondContact OG-O 3.45Å; S487-N489 VanDerWaalsContact OG-O 3.05Å; S487-F493 WeakPolarHBondContact OG-CA 3.37Å; S487-F493 VanDerWaalsContact OG-CB 3.3Å; S487-F493 WeakPolarHBondContact OG-CB 3.42Å; S487-F493 PolarHBondContact OG-N 3.49Å; S487-F493 VanDerWaalsContact OG-N 3.07Å
488N77.8Confident82Confident184 Ų18460.7 Ų60.798%0.98432%0.315SS*.SBendtrans-75.9-23.1178.1-68.5-16.4000112
489N85.6Confident82.1Confident91 Ų9161.9 Ų61.949%0.48733%0.327SS..SBendtrans-91.1114.1177.1-175.1-6.1000109.6S487 T491 E492 F493S487-N489 VanDerWaalsContact C-N 3.3Å; S487-N489 PolarHBondContact OG-O 3.45Å; S487-N489 VanDerWaalsContact OG-O 3.05Å; N489-T491 VanDerWaalsContact C-N 3.27Å; N489-T491 PolarHBondContact O-N 3.38Å; N489-T491 PolarHBondContact OD1-N 3.01Å; N489-E492 HydrophobicContact CB-CB 4.19Å; N489-E492 WeakPolarHBondContact O-CB 3.23Å; N489-E492 PolarHBondContact O-N 2.85Å; N489-E492 VanDerWaalsContact O-N 3.14Å; N489-F493 PolarHBondContact O-N 3.15Å
490N86.8Confident82.3Confident17 Ų1757.6 Ų57.69%0.09131%0.308CS..Hα-helixtrans-62.5-33.3-174.1-160-10.9000112.9F473 I474 E492 F493 L494 P571F473-N490 WeakPolarHBondContact CB-ND2 3.36Å; F473-N490 HydrophobicContact CD1-CB 4.25Å; F473-N490 WeakPolarHBondContact CD1-ND2 3.19Å; I474-N490 WeakPolarHBondContact CG2-OD1 3.35Å; I474-N490 PolarHBondContact N-ND2 3.25Å; I474-N490 PolarHBondContact O-ND2 2.86Å; I474-N490 PolarHBondContact O-OD1 3.24Å; I474-N490 VanDerWaalsContact O-OD1 3.09Å; N490-E492 VanDerWaalsContact C-N 3.33Å; N490-E492 PolarHBondContact O-N 2.98Å; N490-F493 PolarHBondContact O-N 3.41Å; N490-L494 VanDerWaalsContact O-CB 3.29Å; N490-L494 WeakPolarHBondContact O-CB 3.36Å; N490-L494 PolarHBondContact O-N 3.25Å; N490-P571 WeakPolarHBondContact ND2-CB 3.17Å
491T85.1Confident82Confident52 Ų5258.5 Ų58.532%0.31931%0.312SS..Hα-helixtrans-65.7-39.3178.2-48.50000111.5N489 L495N489-T491 VanDerWaalsContact C-N 3.27Å; N489-T491 PolarHBondContact O-N 3.38Å; N489-T491 PolarHBondContact OD1-N 3.01Å; T491-L495 VanDerWaalsContact O-CG 3.32Å; T491-L495 WeakPolarHBondContact O-CG 3.33Å; T491-L495 PolarHBondContact O-N 3.14Å; T491-L495 VanDerWaalsContact O-N 3.1Å
492E86.8Confident81.6Confident102 Ų10265.6 Ų65.648%0.47735%0.345SS..Hα-helixtrans-67.4-43.2173.9-177.1-180-168.800110.9N489 N490 L494 L495 N496N489-E492 HydrophobicContact CB-CB 4.19Å; N489-E492 WeakPolarHBondContact O-CB 3.23Å; N489-E492 PolarHBondContact O-N 2.85Å; N489-E492 VanDerWaalsContact O-N 3.14Å; N490-E492 VanDerWaalsContact C-N 3.33Å; N490-E492 PolarHBondContact O-N 2.98Å; E492-L494 VanDerWaalsContact C-N 3.32Å; E492-L494 PolarHBondContact O-N 2.84Å; E492-L495 PolarHBondContact O-N 3.16Å; E492-N496 PolarHBondContact O-N 3.28Å
493F87.9Confident81.4Confident0 Ų067.8 Ų67.80%035%0.348CS..Hα-helixtrans-60.4-42.8177.3-179.7-105.8000111.8I474 P476 Y480 L484 L486 S487 N489 N490 N496 F497I474-F493 HydrophobicContact CG1-CE1 4.44Å; I474-F493 HydrophobicContact CG2-CD1 3.49Å; I474-F493 VanDerWaalsContact CG2-CD1 3.49Å; I474-F493 HydrophobicContact CG2-CE1 3.69Å; P476-F493 VanDerWaalsContact CA-CE1 3.49Å; P476-F493 HydrophobicContact CB-CD1 3.97Å; P476-F493 HydrophobicContact CB-CD2 4.46Å; P476-F493 HydrophobicContact CB-CE1 4.02Å; P476-F493 HydrophobicContact CB-CE2 4.48Å; P476-F493 HydrophobicContact CB-CG 4.21Å; P476-F493 HydrophobicContact CB-CZ 4.26Å; Y480-F493 HydrophobicContact CD2-CZ 4.42Å; Y480-F493 HydrophobicContact CE2-CE1 4.42Å; Y480-F493 HydrophobicContact CE2-CZ 4.36Å; L484-F493 HydrophobicContact CD2-CE2 3.53Å; L484-F493 HydrophobicContact CD2-CZ 3.48Å; L484-F493 VanDerWaalsContact CD2-CZ 3.48Å; L484-F493 HydrophobicContact CG-CE2 3.88Å; L484-F493 HydrophobicContact CG-CZ 4.33Å; L486-F493 HydrophobicContact CD2-CE2 4Å; S487-F493 WeakPolarHBondContact OG-CA 3.37Å; S487-F493 VanDerWaalsContact OG-CB 3.3Å; S487-F493 WeakPolarHBondContact OG-CB 3.42Å; S487-F493 PolarHBondContact OG-N 3.49Å; S487-F493 VanDerWaalsContact OG-N 3.07Å; N489-F493 PolarHBondContact O-N 3.15Å; N490-F493 PolarHBondContact O-N 3.41Å; F493-N496 PolarHBondContact O-N 3.47Å; F493-F497 WeakPolarHBondContact O-CB 3.35Å; F493-F497 PolarHBondContact O-N 3.25Å
494L86.8Confident81.1Confident1 Ų164.5 Ų64.51%0.00533%0.331CS..Hα-helixtrans-63.1-42.7176.4-179.162.4000111.8L461 F466 I474 N490 E492 F497 I498L461-L494 WeakPolarHBondContact O-CD2 3.45Å; F466-L494 HydrophobicContact CZ-CD2 3.68Å; I474-L494 HydrophobicContact CB-CD1 4.25Å; I474-L494 HydrophobicContact CG2-CB 4.09Å; I474-L494 HydrophobicContact CG2-CD1 3.86Å; N490-L494 VanDerWaalsContact O-CB 3.29Å; N490-L494 WeakPolarHBondContact O-CB 3.36Å; N490-L494 PolarHBondContact O-N 3.25Å; E492-L494 VanDerWaalsContact C-N 3.32Å; E492-L494 PolarHBondContact O-N 2.84Å; L494-F497 WeakPolarHBondContact O-CB 3.36Å; L494-F497 PolarHBondContact O-N 2.73Å; L494-I498 HydrophobicContact CD1-CD1 4.1Å; L494-I498 HydrophobicContact CD1-CG1 4.38Å; L494-I498 HydrophobicContact CG-CD1 3.95Å; L494-I498 VanDerWaalsContact O-CG1 3.24Å; L494-I498 WeakPolarHBondContact O-CG1 3.47Å; L494-I498 PolarHBondContact O-N 2.78Å
495L85.4Confident80.6Confident85 Ų8568.3 Ų68.345%0.44536%0.355SS..Hα-helixtrans-63.5-42.5175.6-72.7173.2000111.9P463 T491 E492 F497 I498 A499P463-L495 HydrophobicContact CG-CD2 3.96Å; T491-L495 VanDerWaalsContact O-CG 3.32Å; T491-L495 WeakPolarHBondContact O-CG 3.33Å; T491-L495 PolarHBondContact O-N 3.14Å; T491-L495 VanDerWaalsContact O-N 3.1Å; E492-L495 PolarHBondContact O-N 3.16Å; L495-F497 VanDerWaalsContact C-N 3.32Å; L495-F497 PolarHBondContact O-N 2.01Å; L495-I498 PolarHBondContact O-N 3.42Å; L495-A499 VanDerWaalsContact O-CB 3.31Å; L495-A499 WeakPolarHBondContact O-CB 3.24Å; L495-A499 PolarHBondContact O-N 3.35Å
496N86.2Confident80Confident47 Ų4763.2 Ų63.225%0.25134%0.335SS..Hα-helixtrans-62.3-41.6175.1-71.6-13.3000111.4L484 E492 F493 A499 L500L484-N496 HydrophobicContact CD1-CB 4.38Å; E492-N496 PolarHBondContact O-N 3.28Å; F493-N496 PolarHBondContact O-N 3.47Å; N496-A499 PolarHBondContact O-N 3.13Å; N496-L500 WeakPolarHBondContact O-CB 3.01Å; N496-L500 PolarHBondContact O-N 3.15Å
497F84.9Confident79.4Confident2 Ų261.8 Ų61.81%0.00933%0.328CS..Hα-helixtrans-61.5-48.5175.6177.5-97000111.7I474 Y480 L484 F493 L494 L495 A499 L500 M501 L516 L519I474-F497 HydrophobicContact CD1-CD1 3.82Å; I474-F497 HydrophobicContact CD1-CD2 4.17Å; I474-F497 HydrophobicContact CD1-CE1 3.94Å; I474-F497 HydrophobicContact CD1-CE2 4.28Å; I474-F497 HydrophobicContact CD1-CG 3.95Å; I474-F497 HydrophobicContact CD1-CZ 4.18Å; Y480-F497 HydrophobicContact CD1-CE2 4.38Å; Y480-F497 HydrophobicContact CD2-CD2 4.27Å; Y480-F497 HydrophobicContact CD2-CE2 4.14Å; Y480-F497 AromaticContact CG-CE2 3.97Å; Y480-F497 HydrophobicContact CG-CE2 3.97Å; L484-F497 HydrophobicContact CD1-CB 4.18Å; L484-F497 HydrophobicContact CD2-CD2 4.09Å; F493-F497 WeakPolarHBondContact O-CB 3.35Å; F493-F497 PolarHBondContact O-N 3.25Å; L494-F497 WeakPolarHBondContact O-CB 3.36Å; L494-F497 PolarHBondContact O-N 2.73Å; L495-F497 VanDerWaalsContact C-N 3.32Å; L495-F497 PolarHBondContact O-N 2.01Å; F497-A499 PolarHBondContact O-N 3.25Å; F497-L500 PolarHBondContact O-N 3.28Å; F497-M501 HydrophobicContact CD1-CG 4.31Å; F497-M501 HydrophobicContact CE1-CG 3.86Å; F497-M501 HydrophobicContact CE2-CG 4.16Å; F497-M501 HydrophobicContact CE2-SD 4.4Å; F497-M501 HydrophobicContact CZ-CG 3.77Å; F497-M501 HydrophobicContact CZ-SD 4.22Å; F497-M501 WeakPolarHBondContact O-CG 3.39Å; F497-M501 PolarHBondContact O-N 3.09Å; F497-L516 HydrophobicContact CE2-CD2 3.76Å; F497-L516 HydrophobicContact CZ-CD2 3.73Å; F497-L519 HydrophobicContact CE1-CD2 3.8Å; F497-L519 HydrophobicContact CE2-CD2 4.23Å; F497-L519 HydrophobicContact CZ-CD2 3.4Å
498I80.8Confident79.1Confident13 Ų1361.8 Ų61.87%0.06733%0.328CS..Hα-helixtrans-62.6-45.8178.8-67166.7000110.5L461 L462 L494 L495 L500 M501 E502L461-I498 HydrophobicContact CB-CD1 4.12Å; L462-I498 HydrophobicContact CD2-CD1 4.12Å; L462-I498 HydrophobicContact CD2-CG2 3.99Å; L494-I498 HydrophobicContact CD1-CD1 4.1Å; L494-I498 HydrophobicContact CD1-CG1 4.38Å; L494-I498 HydrophobicContact CG-CD1 3.95Å; L494-I498 VanDerWaalsContact O-CG1 3.24Å; L494-I498 WeakPolarHBondContact O-CG1 3.47Å; L494-I498 PolarHBondContact O-N 2.78Å; L495-I498 PolarHBondContact O-N 3.42Å; I498-L500 PolarHBondContact O-N 3.07Å; I498-M501 PolarHBondContact O-N 3.17Å; I498-M501 VanDerWaalsContact O-N 3.1Å; I498-E502 PolarHBondContact O-N 3.29Å
499A82.1Confident78.8Confident38 Ų3863.3 Ų63.331%0.31433%0.326SS..Hα-helixtrans-61.8-30.1178.100000113.1L495 N496 F497 K503L495-A499 VanDerWaalsContact O-CB 3.31Å; L495-A499 WeakPolarHBondContact O-CB 3.24Å; L495-A499 PolarHBondContact O-N 3.35Å; N496-A499 PolarHBondContact O-N 3.13Å; F497-A499 PolarHBondContact O-N 3.25Å; A499-K503 WeakPolarHBondContact O-CD 3.39Å; A499-K503 WeakPolarHBondContact O-CG 3.47Å
500L80.1Confident78.4Confident25 Ų2563.6 Ų63.613%0.13132%0.324CS..Hα-helixtrans-73.3-43.8173.4-174.167.4000111.3C481 L484 N496 F497 I498 E502 K503 V504C481-L500 HydrophobicContact CB-CD2 3.69Å; L484-L500 HydrophobicContact CB-CD2 4.06Å; L484-L500 HydrophobicContact CD1-CD2 4.08Å; N496-L500 WeakPolarHBondContact O-CB 3.01Å; N496-L500 PolarHBondContact O-N 3.15Å; F497-L500 PolarHBondContact O-N 3.28Å; I498-L500 PolarHBondContact O-N 3.07Å; L500-E502 VanDerWaalsContact C-N 3.27Å; L500-E502 PolarHBondContact O-N 2.81Å; L500-K503 PolarHBondContact O-N 2.83Å; L500-V504 HydrophobicContact CD1-CG2 3.88Å; L500-V504 HydrophobicContact CG-CG2 4.37Å; L500-V504 PolarHBondContact O-N 2.81Å
501M74.4Confident78.1Confident21 Ų2163.7 Ų63.710%0.10333%0.326CS..Hα-helixtrans-67.6-25179.9-68-55.8-64.200113.3F458 F497 I498 K503 P506 L516F458-M501 HydrophobicContact CE1-CB 3.84Å; F458-M501 HydrophobicContact CE1-CE 4.29Å; F458-M501 HydrophobicContact CE1-CG 4.02Å; F458-M501 HydrophobicContact CZ-CB 4.33Å; F458-M501 HydrophobicContact CZ-CE 3.78Å; F458-M501 HydrophobicContact CZ-CG 4.46Å; F497-M501 HydrophobicContact CD1-CG 4.31Å; F497-M501 HydrophobicContact CE1-CG 3.86Å; F497-M501 HydrophobicContact CE2-CG 4.16Å; F497-M501 HydrophobicContact CE2-SD 4.4Å; F497-M501 HydrophobicContact CZ-CG 3.77Å; F497-M501 HydrophobicContact CZ-SD 4.22Å; F497-M501 WeakPolarHBondContact O-CG 3.39Å; F497-M501 PolarHBondContact O-N 3.09Å; I498-M501 PolarHBondContact O-N 3.17Å; I498-M501 VanDerWaalsContact O-N 3.1Å; M501-K503 VanDerWaalsContact C-N 3.32Å; M501-P506 HydrophobicContact CE-CB 4.18Å; M501-P506 HydrophobicContact CE-CG 3.75Å; M501-L516 HydrophobicContact CE-CD1 4.17Å; M501-L516 HydrophobicContact CE-CD2 4.2Å; M501-L516 HydrophobicContact SD-CD1 4.13Å; M501-L516 HydrophobicContact SD-CD2 3.89Å
502E74Confident77.9Confident157 Ų15762.9 Ų62.973%0.73432%0.32SS*.Hα-helixtrans-70-28.3169.7-72.8-177.7169.200112.8I498 L500I498-E502 PolarHBondContact O-N 3.29Å; L500-E502 VanDerWaalsContact C-N 3.27Å; L500-E502 PolarHBondContact O-N 2.81Å
503K74.4Confident77.6Confident175 Ų17560.6 Ų60.676%0.76132%0.315SS*.Hα-helixtrans-93.8-31-177-68172.9-174.6170.70113.1A499 L500 M501A499-K503 WeakPolarHBondContact O-CD 3.39Å; A499-K503 WeakPolarHBondContact O-CG 3.47Å; L500-K503 PolarHBondContact O-N 2.83Å; M501-K503 VanDerWaalsContact C-N 3.32Å
504V70.7Confident77.3Confident28 Ų2861.8 Ų61.817%0.1732%0.321CS..SBendtrans-119.3129.1-169.9-178.20000109.9L500 S508L500-V504 HydrophobicContact CD1-CG2 3.88Å; L500-V504 HydrophobicContact CG-CG2 4.37Å; L500-V504 PolarHBondContact O-N 2.81Å; V504-S508 WeakPolarHBondContact CG1-OG 3.32Å
505T68.9Low77.2Confident100 Ų10062 Ų6261%0.61332%0.323SS*.  trans-68.7139.8173.354.10000110.8D507 S508T505-D507 PolarHBondContact O-N 2.65Å; T505-S508 WeakPolarHBondContact O-CB 3.42Å; T505-S508 PolarHBondContact O-N 3.37Å
506P64.3Low77.1Confident39 Ų3958 Ų5825%0.25330%0.301SS..THydrogen-bonded Turntrans-53.7-28.8-178.7-24.729.4000115.5M501 S508 L516M501-P506 HydrophobicContact CE-CB 4.18Å; M501-P506 HydrophobicContact CE-CG 3.75Å; P506-S508 VanDerWaalsContact C-N 3.27Å; P506-S508 PolarHBondContact O-N 3.24Å; P506-L516 HydrophobicContact CB-CD1 4.48Å
507D64.8Low76.9Confident100 Ų10056.9 Ų56.954%0.53530%0.295SS..THydrogen-bonded Turntrans-84.410.6179-68.6-40.8000114.2T505 H517T505-D507 PolarHBondContact O-N 2.65Å; D507-H517 IonicContact OD1-CE1 3.41Å; D507-H517 PolarHBondContact OD1-CE1 2.69Å; D507-H517 IonicContact OD1-NE2 3.6Å
508S72.9Confident76.9Confident20 Ų2058 Ų5814%0.1430%0.301CS..  trans-64.7146.8178.780.10000111.3V504 T505 P506 Q510 C511V504-S508 WeakPolarHBondContact CG1-OG 3.32Å; T505-S508 WeakPolarHBondContact O-CB 3.42Å; T505-S508 PolarHBondContact O-N 3.37Å; P506-S508 VanDerWaalsContact C-N 3.27Å; P506-S508 PolarHBondContact O-N 3.24Å; S508-Q510 PolarHBondContact O-N 3.08Å; S508-Q510 VanDerWaalsContact O-N 3.1Å; S508-C511 PolarHBondContact O-N 3.42Å; S508-C511 PolarHBondContact OG-SG 3.3Å
509K72.8Confident77.2Confident217 Ų21757.5 Ų57.594%0.94330%0.298SS*.THydrogen-bonded Turntrans-66.5-9175.2-67.5-175.1179.1-179.40113.7
510Q75.7Confident77.1Confident97 Ų9756.4 Ų56.445%0.45329%0.287SS..THydrogen-bonded Turntrans-87.1-10.3-179.1-67.4174.7-58.300112.9C481 N482 D483 S508C481-Q510 WeakPolarHBondContact CA-O 3.13Å; N482-Q510 PolarHBondContact N-O 3.16Å; N482-Q510 VanDerWaalsContact N-O 3.13Å; D483-Q510 PolarHBondContact OD2-NE2 3.47Å; D483-Q510 VanDerWaalsContact OD2-NE2 3.16Å; S508-Q510 PolarHBondContact O-N 3.08Å; S508-Q510 VanDerWaalsContact O-N 3.1Å
511C80.7Confident77.3Confident18 Ų1858.5 Ų58.512%0.12230%0.298CS..BIsolated β-bridgetrans-124.8154.4-176.3-58.10000112.3Y480 C481 S508 S513 L516Y480-C511 CarbonylContact O-C 3.59Å; Y480-C511 VanDerWaalsContact O-CA 3.28Å; Y480-C511 WeakPolarHBondContact O-CA 3.34Å; Y480-C511 WeakPolarHBondContact O-CB 3.17Å; C481-C511 HydrophobicContact CB-CB 4.04Å; C481-C511 WeakPolarHBondContact CB-SG 3.12Å; C481-C511 WeakPolarHBondContact SG-CB 2.84Å; C481-C511 CovalentContact SG-SG 2.04Å; C481-C511 PolarHBondContact SG-SG 3.28Å; S508-C511 PolarHBondContact O-N 3.42Å; S508-C511 PolarHBondContact OG-SG 3.3Å; C511-S513 PolarHBondContact O-N 3.16Å; C511-L516 HydrophobicContact CB-CD1 3.61Å
512D82.1Confident78Confident35 Ų3558.6 Ų58.619%0.18730%0.299CS..  trans-81.7100.7170.1-170.2-18.6000110Y329 R330 Y480 L514 L515 L516Y329-D512 PolarHBondContact OH-OD2 2.82Å; R330-D512 IonicContact NH2-OD2 3.64Å; Y480-D512 PolarHBondContact O-N 3.05Å; D512-L514 PolarHBondContact O-N 2.69Å; D512-L514 VanDerWaalsContact O-N 3.14Å; D512-L514 VanDerWaalsContact OD1-CB 3.29Å; D512-L514 WeakPolarHBondContact OD1-CB 2.97Å; D512-L514 PolarHBondContact OD1-N 3.11Å; D512-L515 HydrophobicContact CB-CB 4.27Å; D512-L515 HydrophobicContact CB-CD1 4.17Å; D512-L515 HydrophobicContact CB-CG 4.41Å; D512-L515 PolarHBondContact O-N 3.26Å; D512-L516 PolarHBondContact O-N 3.03Å; D512-L516 VanDerWaalsContact O-N 3.15Å
513S80.5Confident78.5Confident54 Ų5451.3 Ų51.338%0.37827%0.265SS..Hα-helixtrans-51.1-33.817662.20000113.6C511 H517C511-S513 PolarHBondContact O-N 3.16Å; S513-H517 WeakPolarHBondContact O-CB 3.05Å; S513-H517 PolarHBondContact O-N 3.19Å; S513-H517 PolarHBondContact O-ND1 3.24Å; S513-H517 VanDerWaalsContact O-ND1 3.11Å
514L81.8Confident78.9Confident25 Ų2543.4 Ų43.413%0.13123%0.233CC..Hα-helixtrans-68.7-45.5-178.7-179.668.2000111.3K438 D512 N518K438-L514 HydrophobicContact CB-CD1 4.18Å; K438-L514 HydrophobicContact CD-CD1 3.81Å; K438-L514 HydrophobicContact CG-CD1 3.55Å; D512-L514 PolarHBondContact O-N 2.69Å; D512-L514 VanDerWaalsContact O-N 3.14Å; D512-L514 VanDerWaalsContact OD1-CB 3.29Å; D512-L514 WeakPolarHBondContact OD1-CB 2.97Å; D512-L514 PolarHBondContact OD1-N 3.11Å; L514-N518 WeakPolarHBondContact O-CB 2.81Å; L514-N518 PolarHBondContact O-N 3.43Å
515L84.6Confident79.7Confident7 Ų746.6 Ų46.64%0.03725%0.248CC..Hα-helixtrans-64.4-48179.3-81.9175.1000110.9Y329 Y480 D512 N518 L519Y329-L515 HydrophobicContact CD1-CD1 4.32Å; Y329-L515 HydrophobicContact CD1-CD2 4.39Å; Y329-L515 HydrophobicContact CD2-CD1 4.31Å; Y329-L515 HydrophobicContact CD2-CD2 3.36Å; Y329-L515 HydrophobicContact CD2-CG 3.88Å; Y329-L515 HydrophobicContact CE1-CD1 3.95Å; Y329-L515 HydrophobicContact CE1-CG 4.5Å; Y329-L515 HydrophobicContact CE2-CD1 3.92Å; Y329-L515 HydrophobicContact CE2-CD2 3.63Å; Y329-L515 HydrophobicContact CE2-CG 3.57Å; Y329-L515 HydrophobicContact CG-CD2 3.79Å; Y329-L515 HydrophobicContact CG-CG 4.47Å; Y480-L515 HydrophobicContact CD1-CB 4.1Å; Y480-L515 HydrophobicContact CE1-CB 4.48Å; D512-L515 HydrophobicContact CB-CB 4.27Å; D512-L515 HydrophobicContact CB-CD1 4.17Å; D512-L515 HydrophobicContact CB-CG 4.41Å; D512-L515 PolarHBondContact O-N 3.26Å; L515-N518 PolarHBondContact O-N 2.83Å; L515-L519 VanDerWaalsContact O-CB 3.27Å; L515-L519 WeakPolarHBondContact O-CB 3.12Å; L515-L519 PolarHBondContact O-N 3.27Å
516L82.3Confident80.6Confident0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-63.5-44.1180-70.4177.3000112Y480 F497 M501 P506 C511 D512 N518 L519 I520Y480-L516 HydrophobicContact CD1-CD2 4.18Å; F497-L516 HydrophobicContact CE2-CD2 3.76Å; F497-L516 HydrophobicContact CZ-CD2 3.73Å; M501-L516 HydrophobicContact CE-CD1 4.17Å; M501-L516 HydrophobicContact CE-CD2 4.2Å; M501-L516 HydrophobicContact SD-CD1 4.13Å; M501-L516 HydrophobicContact SD-CD2 3.89Å; P506-L516 HydrophobicContact CB-CD1 4.48Å; C511-L516 HydrophobicContact CB-CD1 3.61Å; D512-L516 PolarHBondContact O-N 3.03Å; D512-L516 VanDerWaalsContact O-N 3.15Å; L516-N518 PolarHBondContact O-N 2.96Å; L516-L519 WeakPolarHBondContact O-CB 3.33Å; L516-L519 PolarHBondContact O-N 2.87Å; L516-I520 WeakPolarHBondContact O-CD1 3.39Å; L516-I520 VanDerWaalsContact O-CG1 3.23Å; L516-I520 WeakPolarHBondContact O-CG1 3.2Å; L516-I520 PolarHBondContact O-N 3.25Å
517H82.1Confident81.6Confident23 Ų2342.5 Ų42.511%0.10622%0.217CC..Hα-helixtrans-64-41.7178.7-72.4161.5000112.8A439 L441 D507 S513 L521A439-H517 HydrophobicContact CB-CB 3.86Å; A439-H517 WeakPolarHBondContact CB-O 3.43Å; L441-H517 HydrophobicContact CD1-CB 3.74Å; D507-H517 IonicContact OD1-CE1 3.41Å; D507-H517 PolarHBondContact OD1-CE1 2.69Å; D507-H517 IonicContact OD1-NE2 3.6Å; S513-H517 WeakPolarHBondContact O-CB 3.05Å; S513-H517 PolarHBondContact O-N 3.19Å; S513-H517 PolarHBondContact O-ND1 3.24Å; S513-H517 VanDerWaalsContact O-ND1 3.11Å; H517-L521 WeakPolarHBondContact O-CB 3.35Å; H517-L521 PolarHBondContact O-N 3.23Å; H517-L521 VanDerWaalsContact O-N 3.11Å
518N85.9Confident82.7Confident26 Ų2642.5 Ų42.514%0.13921%0.214CC..Hα-helixtrans-66.7-41.7175.8-78.31.2000111.4V437 A439 L514 L515 L516 I520 L521 D522V437-N518 PolarHBondContact O-ND2 2.91Å; V437-N518 VanDerWaalsContact O-ND2 3.1Å; A439-N518 VanDerWaalsContact CB-OD1 3.29Å; A439-N518 WeakPolarHBondContact CB-OD1 3.43Å; A439-N518 PolarHBondContact N-OD1 3.25Å; L514-N518 WeakPolarHBondContact O-CB 2.81Å; L514-N518 PolarHBondContact O-N 3.43Å; L515-N518 PolarHBondContact O-N 2.83Å; L516-N518 PolarHBondContact O-N 2.96Å; N518-I520 PolarHBondContact O-N 2.93Å; N518-L521 PolarHBondContact O-N 3.05Å; N518-D522 WeakPolarHBondContact O-CB 3.45Å; N518-D522 PolarHBondContact O-N 3.11Å
519L85.3Confident83.5Confident2 Ų244 Ų441%0.0122%0.22CC..Hα-helixtrans-58-49176.2-173.880.4000111.6I474 Y480 F497 L515 L516 L521 D522 T523 G553 I555I474-L519 HydrophobicContact CD1-CD1 4.28Å; I474-L519 HydrophobicContact CD1-CD2 3.84Å; I474-L519 HydrophobicContact CG1-CD1 4.36Å; Y480-L519 HydrophobicContact CE1-CD1 4.29Å; Y480-L519 HydrophobicContact CE1-CD2 4.07Å; F497-L519 HydrophobicContact CE1-CD2 3.8Å; F497-L519 HydrophobicContact CE2-CD2 4.23Å; F497-L519 HydrophobicContact CZ-CD2 3.4Å; L515-L519 VanDerWaalsContact O-CB 3.27Å; L515-L519 WeakPolarHBondContact O-CB 3.12Å; L515-L519 PolarHBondContact O-N 3.27Å; L516-L519 WeakPolarHBondContact O-CB 3.33Å; L516-L519 PolarHBondContact O-N 2.87Å; L519-L521 VanDerWaalsContact C-N 3.34Å; L519-L521 PolarHBondContact O-N 3.35Å; L519-D522 PolarHBondContact O-N 2.94Å; L519-T523 PolarHBondContact O-N 3.08Å; L519-T523 PolarHBondContact O-OG1 2.94Å; L519-G553 VanDerWaalsContact CD1-O 3.24Å; L519-G553 WeakPolarHBondContact CD1-O 3.46Å; L519-I555 HydrophobicContact CD1-CD1 3.41Å; L519-I555 VanDerWaalsContact CD1-CD1 3.41Å; L519-I555 HydrophobicContact CD1-CG1 3.42Å; L519-I555 VanDerWaalsContact CD1-CG1 3.42Å; L519-I555 HydrophobicContact CG-CD1 3.81Å; L519-I555 HydrophobicContact CG-CG1 4.33Å; L519-I555 WeakPolarHBondContact O-CD1 3.3Å
520I81.7Confident84.2Confident16 Ų1633.6 Ų33.68%0.08218%0.175CC..Hα-helixtrans-62.5-42.4-180-67.7163.9000111.1F458 L516 N518 T523 G524F458-I520 HydrophobicContact CE2-CD1 3.99Å; F458-I520 HydrophobicContact CE2-CG1 4.14Å; F458-I520 HydrophobicContact CZ-CD1 3.9Å; F458-I520 HydrophobicContact CZ-CG1 3.98Å; L516-I520 WeakPolarHBondContact O-CD1 3.39Å; L516-I520 VanDerWaalsContact O-CG1 3.23Å; L516-I520 WeakPolarHBondContact O-CG1 3.2Å; L516-I520 PolarHBondContact O-N 3.25Å; N518-I520 PolarHBondContact O-N 2.93Å; I520-T523 PolarHBondContact O-N 3.42Å; I520-G524 PolarHBondContact O-N 3.03Å; I520-G524 VanDerWaalsContact O-N 3.16Å
521L84.5Confident84.8Confident69 Ų6931.5 Ų31.536%0.36117%0.167SC..Hα-helixtrans-60.1-47.5176.3178.165.8000111A439 H517 N518 L519 G524 I525A439-L521 HydrophobicContact CB-CB 4.18Å; A439-L521 HydrophobicContact CB-CD2 3.93Å; H517-L521 WeakPolarHBondContact O-CB 3.35Å; H517-L521 PolarHBondContact O-N 3.23Å; H517-L521 VanDerWaalsContact O-N 3.11Å; N518-L521 PolarHBondContact O-N 3.05Å; L519-L521 VanDerWaalsContact C-N 3.34Å; L519-L521 PolarHBondContact O-N 3.35Å; L521-G524 PolarHBondContact O-N 3.15Å; L521-I525 HydrophobicContact CD1-CD1 4.16Å; L521-I525 HydrophobicContact CG-CD1 3.97Å; L521-I525 WeakPolarHBondContact O-CG1 3.32Å; L521-I525 PolarHBondContact O-N 3.45Å; L521-I525 VanDerWaalsContact O-N 3.09Å
522D87.4Confident85.2Confident22 Ų2237.2 Ų37.212%0.11819%0.189CC..Hα-helixtrans-63.9-42.6-178.9-75.1-7.2000111.4N518 L519 G524 I525 I526 T551 G553 I555N518-D522 WeakPolarHBondContact O-CB 3.45Å; N518-D522 PolarHBondContact O-N 3.11Å; L519-D522 PolarHBondContact O-N 2.94Å; D522-G524 VanDerWaalsContact C-N 3.34Å; D522-G524 PolarHBondContact O-N 2.94Å; D522-I525 PolarHBondContact O-N 2.69Å; D522-I526 VanDerWaalsContact O-CG1 3.31Å; D522-I526 WeakPolarHBondContact O-CG1 3.43Å; D522-I526 PolarHBondContact O-N 3.28Å; D522-T551 HydrophobicContact CB-CG2 4.33Å; D522-T551 WeakPolarHBondContact OD2-CB 3.48Å; D522-G553 WeakPolarHBondContact OD2-CA 3.43Å; D522-G553 PolarHBondContact OD2-N 3.1Å; D522-I555 HydrophobicContact CB-CD1 4.45Å
523T84.6Confident85.5Confident4 Ų438.8 Ų38.83%0.02520%0.2CC..Hα-helixtrans-53.4-50.3173.4-580000111.8D457 S460 L461 L519 I520 I525 I526 R527 I555D457-T523 VanDerWaalsContact O-CG2 3.24Å; D457-T523 WeakPolarHBondContact O-CG2 3.34Å; S460-T523 WeakPolarHBondContact OG-CG2 3.22Å; L461-T523 HydrophobicContact CD1-CG2 4.41Å; L461-T523 HydrophobicContact CD2-CG2 3.72Å; L461-T523 HydrophobicContact CG-CG2 3.87Å; L519-T523 PolarHBondContact O-N 3.08Å; L519-T523 PolarHBondContact O-OG1 2.94Å; I520-T523 PolarHBondContact O-N 3.42Å; T523-I525 VanDerWaalsContact C-N 3.33Å; T523-I525 PolarHBondContact O-N 2.79Å; T523-I526 PolarHBondContact O-N 2.66Å; T523-R527 WeakPolarHBondContact O-CB 3.22Å; T523-R527 PolarHBondContact O-N 3.1Å; T523-I555 WeakPolarHBondContact OG1-CD1 3.21Å
524G83.2Confident85.9Confident9 Ų937.4 Ų37.49%0.09319%0.187CC..Hα-helixtrans-63.3-37.4-179.300000112.8I520 L521 D522 Q528I520-G524 PolarHBondContact O-N 3.03Å; I520-G524 VanDerWaalsContact O-N 3.16Å; L521-G524 PolarHBondContact O-N 3.15Å; D522-G524 VanDerWaalsContact C-N 3.34Å; D522-G524 PolarHBondContact O-N 2.94Å; G524-Q528 WeakPolarHBondContact O-CG 3.49Å; G524-Q528 PolarHBondContact O-N 3.21Å
525I87.1Confident86.1Confident95 Ų9540.3 Ų40.349%0.48720%0.198SC..Hα-helixtrans-67.7-48.6177.6-67.6168.1000110.9L521 D522 T523 R527 Q528 L529L521-I525 HydrophobicContact CD1-CD1 4.16Å; L521-I525 HydrophobicContact CG-CD1 3.97Å; L521-I525 WeakPolarHBondContact O-CG1 3.32Å; L521-I525 PolarHBondContact O-N 3.45Å; L521-I525 VanDerWaalsContact O-N 3.09Å; D522-I525 PolarHBondContact O-N 2.69Å; T523-I525 VanDerWaalsContact C-N 3.33Å; T523-I525 PolarHBondContact O-N 2.79Å; I525-R527 VanDerWaalsContact C-N 3.32Å; I525-R527 PolarHBondContact O-N 2.87Å; I525-Q528 PolarHBondContact O-N 3.07Å; I525-L529 PolarHBondContact O-N 3.24Å; I525-L529 VanDerWaalsContact O-N 3.1Å
526I87.9Confident86.2Confident6 Ų645.8 Ų45.83%0.03123%0.228CC..Hα-helixtrans-64.9-39-179.4-59.8170.9000110.4D522 T523 Q528 L529 V530 A549 T551 I555 R557D522-I526 VanDerWaalsContact O-CG1 3.31Å; D522-I526 WeakPolarHBondContact O-CG1 3.43Å; D522-I526 PolarHBondContact O-N 3.28Å; T523-I526 PolarHBondContact O-N 2.66Å; I526-Q528 VanDerWaalsContact C-N 3.33Å; I526-Q528 PolarHBondContact O-N 2.63Å; I526-L529 VanDerWaalsContact O-CB 3.3Å; I526-L529 WeakPolarHBondContact O-CB 3.41Å; I526-L529 PolarHBondContact O-N 3.33Å; I526-L529 VanDerWaalsContact O-N 3.09Å; I526-V530 HydrophobicContact CG2-CG2 4.43Å; I526-V530 VanDerWaalsContact O-CG2 3.27Å; I526-V530 WeakPolarHBondContact O-CG2 3.07Å; I526-V530 PolarHBondContact O-N 3.3Å; I526-A549 HydrophobicContact CG2-CB 4.27Å; I526-T551 HydrophobicContact CD1-CG2 3.45Å; I526-T551 VanDerWaalsContact CD1-CG2 3.45Å; I526-T551 HydrophobicContact CG1-CG2 3.88Å; I526-I555 HydrophobicContact CD1-CB 4.22Å; I526-I555 HydrophobicContact CD1-CG2 3.69Å; I526-R557 HydrophobicContact CG2-CB 3.77Å; I526-R557 HydrophobicContact CG2-CG 4.21Å
527R86.5Confident86.3Confident47 Ų4751.1 Ų51.118%0.17725%0.251CS..Hα-helixtrans-56.4-47.7175.1-176.4177.174.6102.5-16.2111.7S456 D457 T523 I525 L529 V530 D531S456-R527 PolarHBondContact OG-NH2 3.18Å; D457-R527 IonicContact OD1-CZ 3.3Å; D457-R527 VanDerWaalsContact OD1-CZ 3.3Å; D457-R527 IonicContact OD1-NE 2.92Å; D457-R527 PolarHBondContact OD1-NE 2.91Å; D457-R527 IonicContact OD1-NH2 2.83Å; D457-R527 PolarHBondContact OD1-NH2 2.79Å; T523-R527 WeakPolarHBondContact O-CB 3.22Å; T523-R527 PolarHBondContact O-N 3.1Å; I525-R527 VanDerWaalsContact C-N 3.32Å; I525-R527 PolarHBondContact O-N 2.87Å; R527-L529 VanDerWaalsContact C-N 3.27Å; R527-L529 PolarHBondContact O-N 2.88Å; R527-V530 PolarHBondContact O-N 3.3Å; R527-D531 PolarHBondContact O-N 3.32Å
528Q86.8Confident86.3Confident101 Ų10154.1 Ų54.147%0.47227%0.267SS..Hα-helixtrans-62.3-33.7176.5-71.1-174.228.800113.1G524 I525 I526 K532G524-Q528 WeakPolarHBondContact O-CG 3.49Å; G524-Q528 PolarHBondContact O-N 3.21Å; I525-Q528 PolarHBondContact O-N 3.07Å; I526-Q528 VanDerWaalsContact C-N 3.33Å; I526-Q528 PolarHBondContact O-N 2.63Å; Q528-K532 VanDerWaalsContact O-CB 3.3Å; Q528-K532 WeakPolarHBondContact O-CB 3.37Å; Q528-K532 WeakPolarHBondContact O-CG 2.95Å; Q528-K532 PolarHBondContact O-N 2.83Å
529L90.2Very high86.2Confident50 Ų5053.8 Ų53.826%0.26227%0.266SS..Hα-helixtrans-63.7-45.6174.8178.766.6000110.9I525 I526 R527 V533 W534 A549 L631I525-L529 PolarHBondContact O-N 3.24Å; I525-L529 VanDerWaalsContact O-N 3.1Å; I526-L529 VanDerWaalsContact O-CB 3.3Å; I526-L529 WeakPolarHBondContact O-CB 3.41Å; I526-L529 PolarHBondContact O-N 3.33Å; I526-L529 VanDerWaalsContact O-N 3.09Å; R527-L529 VanDerWaalsContact C-N 3.27Å; R527-L529 PolarHBondContact O-N 2.88Å; L529-V533 HydrophobicContact CD1-CB 4.2Å; L529-V533 HydrophobicContact CD1-CG2 3.97Å; L529-V533 VanDerWaalsContact O-CB 3.3Å; L529-V533 WeakPolarHBondContact O-CB 2.99Å; L529-V533 PolarHBondContact O-N 3.2Å; L529-W534 HydrophobicContact CD2-CH2 4.38Å; L529-W534 HydrophobicContact CD2-CZ2 3.66Å; L529-W534 HydrophobicContact CG-CZ2 4.26Å; L529-W534 PolarHBondContact O-N 3.26Å; L529-A549 HydrophobicContact CD2-CB 4.39Å; L529-L631 HydrophobicContact CD2-CD2 3.91Å
530V88.4Confident86Confident0 Ų060 Ų600%030%0.299CS..Iπ-helixtrans-61-50.7177.9-178.50000110.6E469 I526 R527 K532 W534 K535 F559E469-V530 WeakPolarHBondContact O-CG1 3.46Å; I526-V530 HydrophobicContact CG2-CG2 4.43Å; I526-V530 VanDerWaalsContact O-CG2 3.27Å; I526-V530 WeakPolarHBondContact O-CG2 3.07Å; I526-V530 PolarHBondContact O-N 3.3Å; R527-V530 PolarHBondContact O-N 3.3Å; V530-K532 PolarHBondContact O-N 2.68Å; V530-W534 HydrophobicContact CB-CE3 4.05Å; V530-W534 HydrophobicContact CG1-CB 4.46Å; V530-W534 HydrophobicContact CG1-CE3 4.19Å; V530-W534 HydrophobicContact CG2-CD2 4.2Å; V530-W534 HydrophobicContact CG2-CE3 3.34Å; V530-W534 HydrophobicContact CG2-CZ3 3.54Å; V530-W534 PolarHBondContact O-N 3.49Å; V530-K535 HydrophobicContact CG1-CG 4.3Å; V530-K535 PolarHBondContact O-N 3.11Å; V530-F559 HydrophobicContact CG1-CD2 4.37Å
531D87Confident86Confident53 Ų5363.8 Ų63.828%0.28332%0.323SS..Iπ-helixtrans-65.3-40.3-175-76-23.9000113.2R527 K535R527-D531 PolarHBondContact O-N 3.32Å; D531-K535 IonicContact OD1-NZ 2.72Å; D531-K535 PolarHBondContact OD1-NZ 3.02Å
532K88.6Confident85.7Confident137 Ų13765.7 Ų65.760%0.59633%0.326SS*.Iπ-helixtrans-85.8-32.6-176.1-68.1176.2179.3167.60113Q528 V530 N536Q528-K532 VanDerWaalsContact O-CB 3.3Å; Q528-K532 WeakPolarHBondContact O-CB 3.37Å; Q528-K532 WeakPolarHBondContact O-CG 2.95Å; Q528-K532 PolarHBondContact O-N 2.83Å; V530-K532 PolarHBondContact O-N 2.68Å; K532-N536 PolarHBondContact O-ND2 2.83Å
533V88.6Confident85.5Confident68 Ų6865 Ų6541%0.41232%0.324SS..Iπ-helixtrans-116-59.7-167.8-172.60000112L529 N536 K537L529-V533 HydrophobicContact CD1-CB 4.2Å; L529-V533 HydrophobicContact CD1-CG2 3.97Å; L529-V533 VanDerWaalsContact O-CB 3.3Å; L529-V533 WeakPolarHBondContact O-CB 2.99Å; L529-V533 PolarHBondContact O-N 3.2Å; V533-N536 PolarHBondContact O-N 3.2Å; V533-K537 WeakPolarHBondContact O-CG 3.38Å
534W89.5Confident85.8Confident25 Ų2567.5 Ų67.510%0.09534%0.335CS..Iπ-helixtrans-68.6-42.2-169.3-62-13.8000112.8L529 V530 N536 K537 V547 A549 F559L529-W534 HydrophobicContact CD2-CH2 4.38Å; L529-W534 HydrophobicContact CD2-CZ2 3.66Å; L529-W534 HydrophobicContact CG-CZ2 4.26Å; L529-W534 PolarHBondContact O-N 3.26Å; V530-W534 HydrophobicContact CB-CE3 4.05Å; V530-W534 HydrophobicContact CG1-CB 4.46Å; V530-W534 HydrophobicContact CG1-CE3 4.19Å; V530-W534 HydrophobicContact CG2-CD2 4.2Å; V530-W534 HydrophobicContact CG2-CE3 3.34Å; V530-W534 HydrophobicContact CG2-CZ3 3.54Å; V530-W534 PolarHBondContact O-N 3.49Å; W534-N536 PolarHBondContact O-N 2.87Å; W534-K537 PolarHBondContact O-N 2.84Å; W534-V547 HydrophobicContact CB-CG2 4.42Å; W534-V547 HydrophobicContact CD2-CG2 3.51Å; W534-V547 HydrophobicContact CE3-CG2 3.85Å; W534-V547 HydrophobicContact CG-CG2 3.78Å; W534-V547 HydrophobicContact CH2-CG2 4.45Å; W534-V547 HydrophobicContact CZ2-CB 4.48Å; W534-V547 HydrophobicContact CZ2-CG2 4.14Å; W534-V547 HydrophobicContact CZ3-CG2 4.31Å; W534-A549 HydrophobicContact CH2-CB 3.79Å; W534-A549 HydrophobicContact CZ2-CB 4.07Å; W534-F559 HydrophobicContact CB-CD1 4.09Å; W534-F559 HydrophobicContact CB-CE1 4.28Å; W534-F559 HydrophobicContact CE3-CB 3.58Å; W534-F559 HydrophobicContact CE3-CG 4.09Å; W534-F559 HydrophobicContact CZ3-CB 3.88Å
535K87Confident86Confident86 Ų8669.6 Ų69.637%0.37434%0.344SS..THydrogen-bonded Turntrans-62-27.5177.3-74.4-178.5178.21630113.7S468 V530 D531S468-K535 WeakPolarHBondContact O-CE 3.11Å; V530-K535 HydrophobicContact CG1-CG 4.3Å; V530-K535 PolarHBondContact O-N 3.11Å; D531-K535 IonicContact OD1-NZ 2.72Å; D531-K535 PolarHBondContact OD1-NZ 3.02Å
536N86.3Confident86.2Confident123 Ų12365 Ų6566%0.65832%0.32SS*.THydrogen-bonded Turntrans-90.63.5-175.6-66.8-33.9000113.5K532 V533 W534K532-N536 PolarHBondContact O-ND2 2.83Å; V533-N536 PolarHBondContact O-N 3.2Å; W534-N536 PolarHBondContact O-N 2.87Å
537K83.3Confident86.5Confident112 Ų11265.2 Ų65.249%0.48732%0.322SS..SBendtrans-123130.7-175.8-69.7-68-173.8176.90110.4V533 W534 L539 Y542V533-K537 WeakPolarHBondContact O-CG 3.38Å; W534-K537 PolarHBondContact O-N 2.84Å; K537-L539 PolarHBondContact O-N 3.06Å; K537-Y542 HydrophobicContact CD-CE2 4.26Å
538D82.8Confident86.8Confident85 Ų8563 Ų6346%0.45531%0.313SS..  trans-81.5111.3170.817730.5000110.1N540 T541 Y542D538-N540 VanDerWaalsContact C-N 3.33Å; D538-N540 PolarHBondContact OD1-N 3.22Å; D538-T541 PolarHBondContact OD2-N 2.03Å; D538-T541 PolarHBondContact OD2-OG1 3.46Å; D538-Y542 WeakPolarHBondContact O-CD2 2.9Å
539L83.7Confident87.2Confident20 Ų2058.3 Ų58.311%0.10529%0.292CS..Hα-helixtrans-66.9-34.3-177.4-62.6179.2000112.4K537 T541 Y542 G543 F544 V547 F559K537-L539 PolarHBondContact O-N 3.06Å; L539-T541 PolarHBondContact O-N 2.89Å; L539-Y542 PolarHBondContact O-N 3.38Å; L539-Y542 VanDerWaalsContact O-N 3.09Å; L539-G543 PolarHBondContact O-N 3.36Å; L539-G543 VanDerWaalsContact O-N 3.14Å; L539-F544 HydrophobicContact CB-CB 4.23Å; L539-F544 HydrophobicContact CD2-CB 4.41Å; L539-F544 HydrophobicContact CD2-CD2 4.28Å; L539-F544 PolarHBondContact O-N 2.77Å; L539-V547 HydrophobicContact CD2-CG1 3.56Å; L539-F559 HydrophobicContact CD1-CD1 4.03Å; L539-F559 HydrophobicContact CD1-CE1 4.15Å
540N80.8Confident87.4Confident133 Ų13355.9 Ų55.971%0.71128%0.279SS*.Hα-helixtrans-65.6-40.2-176.2-66.6-28.4000111.7D538 Y542 G543D538-N540 VanDerWaalsContact C-N 3.33Å; D538-N540 PolarHBondContact OD1-N 3.22Å; N540-Y542 PolarHBondContact O-N 3.07Å; N540-G543 PolarHBondContact O-N 3.16Å
541T80.9Confident87.6Confident95 Ų9556.2 Ų56.258%0.58328%0.281SS*.Hα-helixtrans-57-34.7174.5-64.60000112.1D538 L539 K643D538-T541 PolarHBondContact OD2-N 2.03Å; D538-T541 PolarHBondContact OD2-OG1 3.46Å; L539-T541 PolarHBondContact O-N 2.89Å; T541-K643 PolarHBondContact O-NZ 2.02Å; T541-K643 VanDerWaalsContact O-NZ 3.09Å
542Y79.5Confident87.7Confident109 Ų10955.5 Ų55.543%0.42728%0.277SS..Hα-helixtrans-84.1-12.3177.8-64.1-70.5000113.4K537 D538 L539 N540 F544 K643K537-Y542 HydrophobicContact CD-CE2 4.26Å; D538-Y542 WeakPolarHBondContact O-CD2 2.9Å; L539-Y542 PolarHBondContact O-N 3.38Å; L539-Y542 VanDerWaalsContact O-N 3.09Å; N540-Y542 PolarHBondContact O-N 3.07Å; Y542-F544 HydrophobicContact CG-CD2 4.48Å; Y542-F544 HydrophobicContact CG-CE2 4.15Å; Y542-K643 PolarHBondContact O-NZ 3.35Å
543G83.8Confident87.5Confident8 Ų849.1 Ų49.18%0.08225%0.251CS..THydrogen-bonded Turntrans76.532.7-174.600000112.2L539 N540 D636L539-G543 PolarHBondContact O-N 3.36Å; L539-G543 VanDerWaalsContact O-N 3.14Å; N540-G543 PolarHBondContact O-N 3.16Å; G543-D636 PolarHBondContact O-N 3.26Å
544F89.3Confident87.4Confident55 Ų5545.9 Ų45.924%0.24123%0.231CC..EExtended strand (participates in β ladder)trans-103127.2179.4-58.8-20.1000110.1L539 Y542 V547 V633 L635L539-F544 HydrophobicContact CB-CB 4.23Å; L539-F544 HydrophobicContact CD2-CB 4.41Å; L539-F544 HydrophobicContact CD2-CD2 4.28Å; L539-F544 PolarHBondContact O-N 2.77Å; Y542-F544 HydrophobicContact CG-CD2 4.48Å; Y542-F544 HydrophobicContact CG-CE2 4.15Å; F544-V547 HydrophobicContact CD2-CG1 4.48Å; F544-V633 HydrophobicContact CD1-CG2 4.46Å; F544-V633 HydrophobicContact CD2-CG1 4.37Å; F544-V633 HydrophobicContact CE1-CG2 4.33Å; F544-V633 HydrophobicContact CE2-CG1 4.35Å; F544-L635 HydrophobicContact CD1-CD2 3.39Å; F544-L635 HydrophobicContact CE1-CD2 3.38Å
545L88.4Confident87.5Confident53 Ų5344.9 Ų44.928%0.27723%0.228SC..EExtended strand (participates in β ladder)trans-77.7-39.7171.7-63.4174.7000111.2K634 D636L545-K634 HydrophobicContact CB-CB 4.39Å; L545-K634 HydrophobicContact CB-CG 4.44Å; L545-K634 HydrophobicContact CD1-CG 4.44Å; L545-K634 PolarHBondContact N-O 2.95Å; L545-D636 HydrophobicContact CD1-CB 4.31Å; L545-D636 HydrophobicContact CD2-CB 3.86Å; L545-D636 HydrophobicContact CG-CB 3.81Å
546A91.1Very high87.7Confident0 Ų040.8 Ų40.80%021%0.21CC..EExtended strand (participates in β ladder)trans-150.8155.6-178.400000111.9V558 F559 A563 V633 K634A546-V558 HydrophobicContact CB-CG1 4.24Å; A546-F559 CarbonylContact C-O 3.52Å; A546-F559 WeakPolarHBondContact CA-O 3.36Å; A546-A563 HydrophobicContact CB-CB 3.46Å; A546-A563 VanDerWaalsContact CB-CB 3.46Å; A546-V633 CarbonylContact O-C 3.51Å; A546-V633 VanDerWaalsContact O-CA 3.29Å; A546-V633 WeakPolarHBondContact O-CA 3.12Å; A546-K634 HydrophobicContact CB-CB 3.9Å; A546-K634 PolarHBondContact N-O 3.44Å; A546-K634 PolarHBondContact O-N 3.41Å
547V93.5Very high88Confident9 Ų935 Ų356%0.05518%0.179CC..EExtended strand (participates in β ladder)trans-122143.6165.1-58.30000108.6W534 L539 F544 F559 V633W534-V547 HydrophobicContact CB-CG2 4.42Å; W534-V547 HydrophobicContact CD2-CG2 3.51Å; W534-V547 HydrophobicContact CE3-CG2 3.85Å; W534-V547 HydrophobicContact CG-CG2 3.78Å; W534-V547 HydrophobicContact CH2-CG2 4.45Å; W534-V547 HydrophobicContact CZ2-CB 4.48Å; W534-V547 HydrophobicContact CZ2-CG2 4.14Å; W534-V547 HydrophobicContact CZ3-CG2 4.31Å; L539-V547 HydrophobicContact CD2-CG1 3.56Å; F544-V547 HydrophobicContact CD2-CG1 4.48Å; V547-F559 HydrophobicContact CG2-CB 3.92Å; V547-F559 HydrophobicContact CG2-CD1 4Å; V547-F559 HydrophobicContact CG2-CG 4.44Å; V547-F559 PolarHBondContact N-O 2.9Å; V547-F559 PolarHBondContact O-N 2.91Å; V547-V633 HydrophobicContact CB-CG1 4.49Å; V547-V633 HydrophobicContact CG1-CG1 3.89Å
548F94.4Very high88.5Confident1 Ų129.7 Ų29.70%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-142.1157-179.171.8-86000112.9R557 V558 W567 Y578 L612 G632F548-R557 CarbonylContact C-O 3.58Å; F548-R557 WeakPolarHBondContact CA-O 3.47Å; F548-R557 WeakPolarHBondContact CB-O 3.2Å; F548-V558 HydrophobicContact CB-CG2 4.11Å; F548-W567 HydrophobicContact CB-CH2 4.02Å; F548-W567 HydrophobicContact CB-CZ3 4.26Å; F548-W567 AromaticContact CD1-CH2 3.52Å; F548-W567 HydrophobicContact CD1-CH2 3.52Å; F548-W567 AromaticContact CD1-CZ3 3.77Å; F548-W567 HydrophobicContact CD1-CZ3 3.77Å; F548-W567 AromaticContact CD2-CH2 3.77Å; F548-W567 HydrophobicContact CD2-CH2 3.77Å; F548-W567 HydrophobicContact CD2-CZ2 4.32Å; F548-W567 AromaticContact CE1-CH2 3.85Å; F548-W567 HydrophobicContact CE1-CH2 3.85Å; F548-W567 HydrophobicContact CE1-CZ3 4.3Å; F548-W567 HydrophobicContact CE2-CH2 4.08Å; F548-W567 AromaticContact CG-CH2 3.48Å; F548-W567 HydrophobicContact CG-CH2 3.48Å; F548-W567 VanDerWaalsContact CG-CH2 3.48Å; F548-W567 HydrophobicContact CG-CZ2 4.34Å; F548-W567 AromaticContact CG-CZ3 4Å; F548-W567 HydrophobicContact CG-CZ3 4Å; F548-W567 HydrophobicContact CZ-CH2 4.1Å; F548-Y578 HydrophobicContact CD2-CE2 4.43Å; F548-Y578 AromaticContact CE2-CD2 3.99Å; F548-Y578 HydrophobicContact CE2-CD2 3.99Å; F548-Y578 AromaticContact CE2-CE2 3.49Å; F548-Y578 HydrophobicContact CE2-CE2 3.49Å; F548-Y578 VanDerWaalsContact CE2-CE2 3.49Å; F548-Y578 AromaticContact CE2-CZ 3.99Å; F548-Y578 HydrophobicContact CZ-CD2 4.16Å; F548-Y578 HydrophobicContact CZ-CE2 4.09Å; F548-L612 HydrophobicContact CD1-CD1 4.11Å; F548-L612 HydrophobicContact CE1-CD1 3.29Å; F548-L612 HydrophobicContact CE1-CG 4.05Å; F548-L612 HydrophobicContact CZ-CD1 3.8Å; F548-L612 HydrophobicContact CZ-CD2 4.36Å; F548-L612 HydrophobicContact CZ-CG 4.15Å; F548-G632 VanDerWaalsContact CD1-C 3.42Å; F548-G632 WeakPolarHBondContact CD1-O 3.21Å; F548-G632 PolarHBondContact N-O 2.9Å; F548-G632 PolarHBondContact O-N 3.09Å
549A94.7Very high88.9Confident2 Ų227 Ų272%0.01714%0.14CC..EExtended strand (participates in β ladder)trans-135.4118.3173.400000109I526 L529 W534 T556 R557 L631I526-A549 HydrophobicContact CG2-CB 4.27Å; L529-A549 HydrophobicContact CD2-CB 4.39Å; W534-A549 HydrophobicContact CH2-CB 3.79Å; W534-A549 HydrophobicContact CZ2-CB 4.07Å; A549-T556 CarbonylContact O-C 3.55Å; A549-T556 WeakPolarHBondContact O-CA 3.48Å; A549-R557 PolarHBondContact N-O 2.94Å; A549-R557 PolarHBondContact O-N 2.87Å; A549-L631 HydrophobicContact CB-CD2 3.5Å
550A94.8Very high89.1Confident0 Ų028.3 Ų28.30%015%0.15CC..EExtended strand (participates in β ladder)trans-107.9134.9173.600000109.4I555 T556 P573 Y578 Y579 A629 V630A550-I555 CarbonylContact C-O 3.58Å; A550-I555 WeakPolarHBondContact CA-O 3.25Å; A550-T556 HydrophobicContact CB-CG2 4.23Å; A550-P573 HydrophobicContact CB-CB 4.34Å; A550-P573 HydrophobicContact CB-CG 4.44Å; A550-Y578 HydrophobicContact CB-CE2 4.26Å; A550-Y579 HydrophobicContact CB-CD2 3.74Å; A550-Y579 HydrophobicContact CB-CE2 3.94Å; A550-A629 CarbonylContact O-C 3.57Å; A550-A629 WeakPolarHBondContact O-CA 3.44Å; A550-A629 WeakPolarHBondContact O-CB 3.47Å; A550-V630 PolarHBondContact N-O 3.1Å; A550-V630 PolarHBondContact O-N 3.18Å
551T91.9Very high89.5Confident6 Ų624.4 Ų24.44%0.03713%0.128CC..EExtended strand (participates in β ladder)trans-121.6156-171.855.60000112.5D522 I526 G553 G554 I555 A629D522-T551 HydrophobicContact CB-CG2 4.33Å; D522-T551 WeakPolarHBondContact OD2-CB 3.48Å; I526-T551 HydrophobicContact CD1-CG2 3.45Å; I526-T551 VanDerWaalsContact CD1-CG2 3.45Å; I526-T551 HydrophobicContact CG1-CG2 3.88Å; T551-G553 PolarHBondContact O-N 2.67Å; T551-G554 PolarHBondContact O-N 2.67Å; T551-G554 VanDerWaalsContact O-N 3.13Å; T551-I555 PolarHBondContact N-O 3.17Å; T551-I555 PolarHBondContact OG1-N 3.47Å; T551-I555 PolarHBondContact OG1-O 2.83Å; T551-A629 HydrophobicContact CG2-CB 4.01Å
552D88.6Confident89.7Confident38 Ų3828 Ų2820%0.20314%0.136CC..THydrogen-bonded Turntrans-61.6-28.5175.9-164.745.9000112.1R478 G554 F574 Y579 P628R478-D552 VanDerWaalsContact CZ-O 3.28Å; R478-D552 PolarHBondContact NH1-O 3.32Å; R478-D552 PolarHBondContact NH2-O 2.7Å; D552-G554 PolarHBondContact O-N 3.14Å; D552-F574 WeakPolarHBondContact OD1-CE1 3.41Å; D552-F574 WeakPolarHBondContact OD1-CZ 3.5Å; D552-Y579 WeakPolarHBondContact CA-OH 3.49Å; D552-Y579 PolarHBondContact N-OH 3.21Å; D552-P628 WeakPolarHBondContact CB-O 3.47Å; D552-P628 PolarHBondContact N-O 2.83Å
553G84.7Confident90Very high4 Ų423.2 Ų23.24%0.04112%0.119CC..THydrogen-bonded Turntrans-66.6-8.4173.900000115.4R478 L519 D522 T551R478-G553 PolarHBondContact NH1-O 2.82Å; L519-G553 VanDerWaalsContact CD1-O 3.24Å; L519-G553 WeakPolarHBondContact CD1-O 3.46Å; D522-G553 WeakPolarHBondContact OD2-CA 3.43Å; D522-G553 PolarHBondContact OD2-N 3.1Å; T551-G553 PolarHBondContact O-N 2.67Å
554G87.4Confident90Very high0 Ų023.4 Ų23.40%012%0.12CC..SBendtrans93.119.7175.300000113.6I474 A475 R478 T551 D552I474-G554 CarbonylContact C-O 3.58Å; A475-G554 VanDerWaalsContact CB-O 3.25Å; A475-G554 WeakPolarHBondContact CB-O 3.28Å; A475-G554 PolarHBondContact N-O 3.41Å; R478-G554 VanDerWaalsContact CZ-CA 3.48Å; T551-G554 PolarHBondContact O-N 2.67Å; T551-G554 VanDerWaalsContact O-N 3.13Å; D552-G554 PolarHBondContact O-N 3.14Å
555I90.3Very high89.6Confident4 Ų428.8 Ų28.82%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-105131.9173.4-68.5158000109.5V472 F473 L519 D522 T523 I526 A550 T551V472-I555 HydrophobicContact CG1-CG2 3.9Å; F473-I555 WeakPolarHBondContact O-CA 3.35Å; L519-I555 HydrophobicContact CD1-CD1 3.41Å; L519-I555 VanDerWaalsContact CD1-CD1 3.41Å; L519-I555 HydrophobicContact CD1-CG1 3.42Å; L519-I555 VanDerWaalsContact CD1-CG1 3.42Å; L519-I555 HydrophobicContact CG-CD1 3.81Å; L519-I555 HydrophobicContact CG-CG1 4.33Å; L519-I555 WeakPolarHBondContact O-CD1 3.3Å; D522-I555 HydrophobicContact CB-CD1 4.45Å; T523-I555 WeakPolarHBondContact OG1-CD1 3.21Å; I526-I555 HydrophobicContact CD1-CB 4.22Å; I526-I555 HydrophobicContact CD1-CG2 3.69Å; A550-I555 CarbonylContact C-O 3.58Å; A550-I555 WeakPolarHBondContact CA-O 3.25Å; T551-I555 PolarHBondContact N-O 3.17Å; T551-I555 PolarHBondContact OG1-N 3.47Å; T551-I555 PolarHBondContact OG1-O 2.83Å
556T92.6Very high89.2Confident0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-119.1122.6166.3-580000108.7F473 A549 A550 V558 W567F473-T556 PolarHBondContact N-O 2.93Å; F473-T556 PolarHBondContact O-N 3.34Å; A549-T556 CarbonylContact O-C 3.55Å; A549-T556 WeakPolarHBondContact O-CA 3.48Å; A550-T556 HydrophobicContact CB-CG2 4.23Å; T556-V558 HydrophobicContact CG2-CG2 4.42Å; T556-W567 HydrophobicContact CG2-CZ2 4.29Å
557R92.4Very high88.9Confident2 Ų230.1 Ų30.11%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-114130.8177.2-164.8175.4-171.2144.6-16.7110.5E469 H471 V472 I526 F548 A549E469-R557 PolarHBondContact O-NE 3Å; E469-R557 PolarHBondContact O-NH2 2.79Å; E469-R557 IonicContact OE2-CZ 3.73Å; E469-R557 IonicContact OE2-NH1 3.82Å; E469-R557 IonicContact OE2-NH2 2.74Å; E469-R557 PolarHBondContact OE2-NH2 3.39Å; H471-R557 CarbonylContact O-C 3.54Å; H471-R557 WeakPolarHBondContact O-CA 3.41Å; H471-R557 WeakPolarHBondContact O-CG 3.22Å; V472-R557 HydrophobicContact CG2-CG 4.03Å; I526-R557 HydrophobicContact CG2-CB 3.77Å; I526-R557 HydrophobicContact CG2-CG 4.21Å; F548-R557 CarbonylContact C-O 3.58Å; F548-R557 WeakPolarHBondContact CA-O 3.47Å; F548-R557 WeakPolarHBondContact CB-O 3.2Å; A549-R557 PolarHBondContact N-O 2.94Å; A549-R557 PolarHBondContact O-N 2.87Å
558V92.7Very high88.4Confident0 Ų037.5 Ų37.50%019%0.187CC..EExtended strand (participates in β ladder)trans-119.5130.1-178.4-177.10000109.3G470 H471 F473 A546 F548 T556 A563 W567G470-V558 CarbonylContact C-O 3.56Å; G470-V558 VanDerWaalsContact CA-O 3.27Å; G470-V558 WeakPolarHBondContact CA-O 3.44Å; H471-V558 PolarHBondContact N-O 3.4Å; H471-V558 PolarHBondContact O-N 2.95Å; F473-V558 HydrophobicContact CD2-CG2 4.27Å; F473-V558 HydrophobicContact CE2-CG2 3.99Å; A546-V558 HydrophobicContact CB-CG1 4.24Å; F548-V558 HydrophobicContact CB-CG2 4.11Å; T556-V558 HydrophobicContact CG2-CG2 4.42Å; V558-A563 HydrophobicContact CG1-CB 4.15Å; V558-W567 HydrophobicContact CG1-CE3 4.14Å; V558-W567 HydrophobicContact CG2-CD2 3.76Å; V558-W567 HydrophobicContact CG2-CE3 3.85Å; V558-W567 HydrophobicContact CG2-CG 4.22Å; V558-W567 HydrophobicContact CG2-CZ2 4.42Å; V558-W567 HydrophobicContact CG2-CZ3 4.24Å
559F90.9Very high88Confident29 Ų2939.1 Ų39.113%0.12720%0.195CC..EExtended strand (participates in β ladder)trans-130.8133.8-179.8-179.7-91.2000110.3V530 W534 L539 A546 V547V530-F559 HydrophobicContact CG1-CD2 4.37Å; W534-F559 HydrophobicContact CB-CD1 4.09Å; W534-F559 HydrophobicContact CB-CE1 4.28Å; W534-F559 HydrophobicContact CE3-CB 3.58Å; W534-F559 HydrophobicContact CE3-CG 4.09Å; W534-F559 HydrophobicContact CZ3-CB 3.88Å; L539-F559 HydrophobicContact CD1-CD1 4.03Å; L539-F559 HydrophobicContact CD1-CE1 4.15Å; A546-F559 CarbonylContact C-O 3.52Å; A546-F559 WeakPolarHBondContact CA-O 3.36Å; V547-F559 HydrophobicContact CG2-CB 3.92Å; V547-F559 HydrophobicContact CG2-CD1 4Å; V547-F559 HydrophobicContact CG2-CG 4.44Å; V547-F559 PolarHBondContact N-O 2.9Å; V547-F559 PolarHBondContact O-N 2.91Å
560P89.4Confident87.6Confident47 Ų4742.1 Ų42.131%0.30521%0.21SC..SBendcis-79.1169.90.434-35.7000113K562 A563P560-K562 PolarHBondContact O-N 2.89Å; P560-K562 VanDerWaalsContact O-N 3.16Å; P560-A563 WeakPolarHBondContact O-CB 3.38Å; P560-A563 PolarHBondContact O-N 3.09Å
561N87.4Confident87.3Confident50 Ų5043.7 Ų43.727%0.26722%0.221SC..G310 helixtrans-53.5-37.9-178.9-169.837.3000113.5H471 A563 A564H471-N561 WeakPolarHBondContact CB-OD1 3.42Å; H471-N561 PolarHBondContact CD2-OD1 3.24Å; N561-A563 PolarHBondContact O-N 2.74Å; N561-A563 VanDerWaalsContact O-N 3.14Å; N561-A564 VanDerWaalsContact O-CB 3.25Å; N561-A564 WeakPolarHBondContact O-CB 3.11Å; N561-A564 PolarHBondContact O-N 3.37Å
562K85.8Confident87.1Confident171 Ų17143.6 Ų43.674%0.74322%0.22SC*.G310 helixtrans-55.9-32.5177.3-173.3-179.6177.7-172.70112.8P560 A564P560-K562 PolarHBondContact O-N 2.89Å; P560-K562 VanDerWaalsContact O-N 3.16Å; K562-A564 VanDerWaalsContact C-N 3.25Å; K562-A564 PolarHBondContact O-N 3.34Å
563A85Confident87.2Confident9 Ų941.8 Ų41.87%0.07421%0.21CC..G310 helixtrans-76.6-11.8-179.800000113.7A546 V558 P560 N561 E565 T566A546-A563 HydrophobicContact CB-CB 3.46Å; A546-A563 VanDerWaalsContact CB-CB 3.46Å; V558-A563 HydrophobicContact CG1-CB 4.15Å; P560-A563 WeakPolarHBondContact O-CB 3.38Å; P560-A563 PolarHBondContact O-N 3.09Å; N561-A563 PolarHBondContact O-N 2.74Å; N561-A563 VanDerWaalsContact O-N 3.14Å; A563-E565 VanDerWaalsContact C-N 3.34Å; A563-T566 PolarHBondContact O-OG1 2.95Å
564A84.2Confident87.5Confident11 Ų1142.2 Ų42.29%0.09121%0.211CC..G310 helixtrans-74.8-25.1176.600000112.6H471 F473 N561 K562 T566 W567H471-A564 HydrophobicContact CB-CB 3.32Å; H471-A564 VanDerWaalsContact CG-CB 3.5Å; F473-A564 HydrophobicContact CE2-CB 4.38Å; F473-A564 HydrophobicContact CZ-CB 4.24Å; N561-A564 VanDerWaalsContact O-CB 3.25Å; N561-A564 WeakPolarHBondContact O-CB 3.11Å; N561-A564 PolarHBondContact O-N 3.37Å; K562-A564 VanDerWaalsContact C-N 3.25Å; K562-A564 PolarHBondContact O-N 3.34Å; A564-T566 VanDerWaalsContact C-N 3.28Å; A564-T566 PolarHBondContact O-N 3.18Å; A564-W567 VanDerWaalsContact O-CB 3.31Å; A564-W567 WeakPolarHBondContact O-CB 3.43Å; A564-W567 PolarHBondContact O-N 3.26Å
565E81.9Confident87.6Confident168 Ų16844.7 Ų44.779%0.78522%0.224SC*.THydrogen-bonded Turntrans-66.8-31.9175.7-64.8178.8179.600112A563A563-E565 VanDerWaalsContact C-N 3.34Å
566T79.6Confident87.7Confident56 Ų5644.6 Ų44.634%0.34422%0.224SC..THydrogen-bonded Turntrans-98.618.2177.664.40000112.6A563 A564 K634A563-T566 PolarHBondContact O-OG1 2.95Å; A564-T566 VanDerWaalsContact C-N 3.28Å; A564-T566 PolarHBondContact O-N 3.18Å; T566-K634 PolarHBondContact O-NZ 3.29Å
567W84.3Confident87.6Confident25 Ų2544.9 Ų44.910%0.09523%0.226CC..  trans-90103.7178.7-170.8-92.8000110.3F473 F548 T556 V558 A564 E569 Y578 L612F473-W567 HydrophobicContact CE2-CB 4.39Å; F473-W567 AromaticContact CE2-CD1 3.77Å; F473-W567 HydrophobicContact CE2-CG 4.1Å; F473-W567 HydrophobicContact CZ-CB 4.48Å; F548-W567 HydrophobicContact CB-CH2 4.02Å; F548-W567 HydrophobicContact CB-CZ3 4.26Å; F548-W567 AromaticContact CD1-CH2 3.52Å; F548-W567 HydrophobicContact CD1-CH2 3.52Å; F548-W567 AromaticContact CD1-CZ3 3.77Å; F548-W567 HydrophobicContact CD1-CZ3 3.77Å; F548-W567 AromaticContact CD2-CH2 3.77Å; F548-W567 HydrophobicContact CD2-CH2 3.77Å; F548-W567 HydrophobicContact CD2-CZ2 4.32Å; F548-W567 AromaticContact CE1-CH2 3.85Å; F548-W567 HydrophobicContact CE1-CH2 3.85Å; F548-W567 HydrophobicContact CE1-CZ3 4.3Å; F548-W567 HydrophobicContact CE2-CH2 4.08Å; F548-W567 AromaticContact CG-CH2 3.48Å; F548-W567 HydrophobicContact CG-CH2 3.48Å; F548-W567 VanDerWaalsContact CG-CH2 3.48Å; F548-W567 HydrophobicContact CG-CZ2 4.34Å; F548-W567 AromaticContact CG-CZ3 4Å; F548-W567 HydrophobicContact CG-CZ3 4Å; F548-W567 HydrophobicContact CZ-CH2 4.1Å; T556-W567 HydrophobicContact CG2-CZ2 4.29Å; V558-W567 HydrophobicContact CG1-CE3 4.14Å; V558-W567 HydrophobicContact CG2-CD2 3.76Å; V558-W567 HydrophobicContact CG2-CE3 3.85Å; V558-W567 HydrophobicContact CG2-CG 4.22Å; V558-W567 HydrophobicContact CG2-CZ2 4.42Å; V558-W567 HydrophobicContact CG2-CZ3 4.24Å; A564-W567 VanDerWaalsContact O-CB 3.31Å; A564-W567 WeakPolarHBondContact O-CB 3.43Å; A564-W567 PolarHBondContact O-N 3.26Å; W567-E569 HydrophobicContact CZ2-CB 3.95Å; W567-E569 HydrophobicContact CZ2-CG 4Å; W567-Y578 HydrophobicContact CZ2-CE1 4.28Å; W567-L612 HydrophobicContact CH2-CD1 3.99Å; W567-L612 HydrophobicContact CZ3-CD1 4.05Å
568E82.8Confident87.7Confident164 Ų16444.8 Ų44.877%0.76623%0.226SC*.  trans-93.6-7.8-175.2-61.7-179.6168.100113.7
569E86.1Confident87.7Confident35 Ų3544.9 Ų44.916%0.16423%0.226CC..SBendtrans-75.5150.5-176.1-58.8-71.115900112.3W567 Y578 L612W567-E569 HydrophobicContact CZ2-CB 3.95Å; W567-E569 HydrophobicContact CZ2-CG 4Å; E569-Y578 HydrophobicContact CB-CD1 4.46Å; E569-Y578 HydrophobicContact CB-CE1 3.85Å; E569-Y578 HydrophobicContact CG-CD1 4Å; E569-Y578 HydrophobicContact CG-CE1 3.79Å; E569-L612 HydrophobicContact CG-CD2 4.47Å
570D87.4Confident87.9Confident65 Ų6546.3 Ų46.335%0.34823%0.231SC..  trans-58130.3178.1-167.2-49.2000110.7E572 N575D570-E572 PolarHBondContact O-N 2.8Å; D570-E572 WeakPolarHBondContact OD1-CB 3.37Å; D570-E572 PolarHBondContact OD1-N 2.63Å; D570-N575 HydrophobicContact CB-CB 4.18Å; D570-N575 WeakPolarHBondContact OD2-CB 3.41Å; D570-N575 PolarHBondContact OD2-ND2 3.17Å
571P87.8Confident88.1Confident34 Ų3444.2 Ų44.222%0.22122%0.217CC..SBendtrans-64.9-23.4179.325.6-35000113.7F473 P476 N490 P573F473-P571 HydrophobicContact CB-CB 4.06Å; F473-P571 HydrophobicContact CG-CB 4.49Å; P476-P571 HydrophobicContact CG-CG 4.46Å; N490-P571 WeakPolarHBondContact ND2-CB 3.17Å; P571-P573 VanDerWaalsContact O-CD 3.26Å; P571-P573 WeakPolarHBondContact O-CD 3.41Å
572E88.9Confident88.4Confident3 Ų342 Ų421%0.01421%0.205CC..SBendtrans-78.4112.1170.7-179.572.1-130.800109.6A475 S477 R478 D570 F574 N575 A576A475-E572 VanDerWaalsContact CB-CD 3.46Å; A475-E572 WeakPolarHBondContact CB-OE2 3.32Å; S477-E572 PolarHBondContact OG-OE2 3.41Å; R478-E572 IonicContact CZ-OE1 3.46Å; R478-E572 IonicContact NE-OE1 2.83Å; R478-E572 PolarHBondContact NE-OE1 3.43Å; R478-E572 IonicContact NE-OE2 3.18Å; R478-E572 IonicContact NH2-OE1 2.69Å; R478-E572 PolarHBondContact NH2-OE1 3.06Å; R478-E572 VanDerWaalsContact NH2-OE1 3.09Å; D570-E572 PolarHBondContact O-N 2.8Å; D570-E572 WeakPolarHBondContact OD1-CB 3.37Å; D570-E572 PolarHBondContact OD1-N 2.63Å; E572-F574 HydrophobicContact CG-CB 4.2Å; E572-F574 PolarHBondContact O-N 3.35Å; E572-N575 HydrophobicContact CB-CB 4.28Å; E572-N575 HydrophobicContact CG-CB 4.43Å; E572-N575 PolarHBondContact O-N 3.41Å; E572-A576 PolarHBondContact O-N 3.22Å
573P90.6Very high88.8Confident0 Ų034 Ų340%017%0.171CC..THydrogen-bonded Turntrans-57.5-31.8-178.6-25.435.9000112.9A550 P571 N575 A576 Y579A550-P573 HydrophobicContact CB-CB 4.34Å; A550-P573 HydrophobicContact CB-CG 4.44Å; P571-P573 VanDerWaalsContact O-CD 3.26Å; P571-P573 WeakPolarHBondContact O-CD 3.41Å; P573-N575 VanDerWaalsContact C-N 3.29Å; P573-N575 PolarHBondContact O-N 2.88Å; P573-A576 PolarHBondContact O-N 2.64Å; P573-Y579 HydrophobicContact CB-CD1 4.38Å; P573-Y579 HydrophobicContact CB-CD2 3.77Å; P573-Y579 HydrophobicContact CB-CE1 4.45Å; P573-Y579 HydrophobicContact CB-CE2 3.85Å; P573-Y579 HydrophobicContact CB-CG 4.06Å; P573-Y579 WeakPolarHBondContact O-CB 3.39Å; P573-Y579 WeakPolarHBondContact O-CD1 3.39Å
574F90Very high89.1Confident13 Ų1335.1 Ų35.16%0.05718%0.175CC..THydrogen-bonded Turntrans-73-19.2179.1-64.5-8.2000113.7A333 R478 D552 E572 Y579 R580A333-F574 HydrophobicContact CB-CB 4.38Å; A333-F574 HydrophobicContact CB-CD1 3.3Å; A333-F574 HydrophobicContact CB-CE1 3.73Å; A333-F574 HydrophobicContact CB-CG 3.96Å; R478-F574 VanDerWaalsContact NH2-CE2 3.25Å; R478-F574 VanDerWaalsContact NH2-CZ 3.32Å; D552-F574 WeakPolarHBondContact OD1-CE1 3.41Å; D552-F574 WeakPolarHBondContact OD1-CZ 3.5Å; E572-F574 HydrophobicContact CG-CB 4.2Å; E572-F574 PolarHBondContact O-N 3.35Å; F574-Y579 HydrophobicContact CD1-CD1 4.47Å; F574-Y579 HydrophobicContact CD1-CE1 4.04Å; F574-Y579 HydrophobicContact CE1-CE1 4.15Å; F574-R580 PolarHBondContact O-NE 3.33Å; F574-R580 PolarHBondContact O-NH2 3.18Å
575N90Very high89.4Confident53 Ų5336.6 Ų36.628%0.28318%0.182SC..THydrogen-bonded Turntrans-90.2-19172.8-74.7-11.5000112.2D570 E572 P573D570-N575 HydrophobicContact CB-CB 4.18Å; D570-N575 WeakPolarHBondContact OD2-CB 3.41Å; D570-N575 PolarHBondContact OD2-ND2 3.17Å; E572-N575 HydrophobicContact CB-CB 4.28Å; E572-N575 HydrophobicContact CG-CB 4.43Å; E572-N575 PolarHBondContact O-N 3.41Å; P573-N575 VanDerWaalsContact C-N 3.29Å; P573-N575 PolarHBondContact O-N 2.88Å
576A91.1Very high89.7Confident2 Ų237.4 Ų37.42%0.01718%0.182CC..  trans-70.9131-178.800000112.9E572 P573 Y578 Y579 R580E572-A576 PolarHBondContact O-N 3.22Å; P573-A576 PolarHBondContact O-N 2.64Å; A576-Y578 HydrophobicContact CB-CD1 3.86Å; A576-Y578 HydrophobicContact CB-CE1 3.43Å; A576-Y578 VanDerWaalsContact CB-CE1 3.43Å; A576-Y579 PolarHBondContact O-N 3.24Å; A576-R580 PolarHBondContact O-N 2.74Å
577S92.2Very high90.2Very high6 Ų636 Ų364%0.04218%0.178CC..Hα-helixtrans-61.1-51180175.20000111.5S400 D402 Y579 R580 R581S400-S577 PolarHBondContact OG-OG 3.36Å; D402-S577 PolarHBondContact OD1-OG 2.88Å; D402-S577 VanDerWaalsContact OD1-OG 3.05Å; S577-Y579 PolarHBondContact O-N 3.18Å; S577-Y579 VanDerWaalsContact O-N 3.13Å; S577-R580 PolarHBondContact O-N 3.45Å; S577-R581 WeakPolarHBondContact O-CG 3.44Å; S577-R581 PolarHBondContact O-N 3.48Å
578Y93Very high90.6Very high0 Ų041.1 Ų41.10%020%0.199CC..Hα-helixtrans-56.5-35.7-177.872.5-97.3000112.9F548 A550 W567 E569 A576 S582 L612 V630F548-Y578 HydrophobicContact CD2-CE2 4.43Å; F548-Y578 AromaticContact CE2-CD2 3.99Å; F548-Y578 HydrophobicContact CE2-CD2 3.99Å; F548-Y578 AromaticContact CE2-CE2 3.49Å; F548-Y578 HydrophobicContact CE2-CE2 3.49Å; F548-Y578 VanDerWaalsContact CE2-CE2 3.49Å; F548-Y578 AromaticContact CE2-CZ 3.99Å; F548-Y578 HydrophobicContact CZ-CD2 4.16Å; F548-Y578 HydrophobicContact CZ-CE2 4.09Å; A550-Y578 HydrophobicContact CB-CE2 4.26Å; W567-Y578 HydrophobicContact CZ2-CE1 4.28Å; E569-Y578 HydrophobicContact CB-CD1 4.46Å; E569-Y578 HydrophobicContact CB-CE1 3.85Å; E569-Y578 HydrophobicContact CG-CD1 4Å; E569-Y578 HydrophobicContact CG-CE1 3.79Å; A576-Y578 HydrophobicContact CB-CD1 3.86Å; A576-Y578 HydrophobicContact CB-CE1 3.43Å; A576-Y578 VanDerWaalsContact CB-CE1 3.43Å; Y578-S582 WeakPolarHBondContact O-CB 3.44Å; Y578-S582 PolarHBondContact O-N 3Å; Y578-S582 PolarHBondContact O-OG 3.37Å; Y578-L612 HydrophobicContact CD1-CD2 3.7Å; Y578-L612 HydrophobicContact CD2-CD2 4.47Å; Y578-L612 HydrophobicContact CE1-CD2 4.47Å; Y578-L612 HydrophobicContact CG-CD2 3.71Å; Y578-V630 HydrophobicContact CD2-CG1 4.27Å; Y578-V630 HydrophobicContact CE2-CG1 4.43Å
579Y94.4Very high91.2Very high1 Ų133.5 Ų33.50%0.00416%0.163CC..Hα-helixtrans-67.7-50.6-178.2-170.7-87.5000110.4A333 A550 D552 P573 F574 A576 S577 R581 S582 L583 V630A333-Y579 HydrophobicContact CB-CD1 3.71Å; A333-Y579 HydrophobicContact CB-CE1 3.57Å; A550-Y579 HydrophobicContact CB-CD2 3.74Å; A550-Y579 HydrophobicContact CB-CE2 3.94Å; D552-Y579 WeakPolarHBondContact CA-OH 3.49Å; D552-Y579 PolarHBondContact N-OH 3.21Å; P573-Y579 HydrophobicContact CB-CD1 4.38Å; P573-Y579 HydrophobicContact CB-CD2 3.77Å; P573-Y579 HydrophobicContact CB-CE1 4.45Å; P573-Y579 HydrophobicContact CB-CE2 3.85Å; P573-Y579 HydrophobicContact CB-CG 4.06Å; P573-Y579 WeakPolarHBondContact O-CB 3.39Å; P573-Y579 WeakPolarHBondContact O-CD1 3.39Å; F574-Y579 HydrophobicContact CD1-CD1 4.47Å; F574-Y579 HydrophobicContact CD1-CE1 4.04Å; F574-Y579 HydrophobicContact CE1-CE1 4.15Å; A576-Y579 PolarHBondContact O-N 3.24Å; S577-Y579 PolarHBondContact O-N 3.18Å; S577-Y579 VanDerWaalsContact O-N 3.13Å; Y579-R581 PolarHBondContact O-N 2.83Å; Y579-S582 PolarHBondContact O-N 3.1Å; Y579-L583 HydrophobicContact CD1-CD1 3.8Å; Y579-L583 HydrophobicContact CD1-CG 4.46Å; Y579-L583 HydrophobicContact CE1-CD1 3.47Å; Y579-L583 VanDerWaalsContact CE1-CD1 3.47Å; Y579-L583 HydrophobicContact CE1-CG 4.28Å; Y579-L583 WeakPolarHBondContact O-CG 3.15Å; Y579-L583 PolarHBondContact O-N 2Å; Y579-V630 HydrophobicContact CD2-CB 3.63Å; Y579-V630 HydrophobicContact CD2-CG2 3.51Å; Y579-V630 HydrophobicContact CE2-CB 3.83Å; Y579-V630 HydrophobicContact CE2-CG2 3.59Å; Y579-V630 HydrophobicContact CG-CB 4.47Å; Y579-V630 HydrophobicContact CG-CG2 4Å
580R93.7Very high91.6Very high60 Ų6032.8 Ų32.823%0.22616%0.16CC..Hα-helixtrans-62.1-44.6178.8-67-160.3-175.9-177.2-0.2112.5A333 N334 F574 A576 S577 L583 D584A333-R580 HydrophobicContact CB-CG 4.44Å; N334-R580 PolarHBondContact ND2-O 3.12Å; N334-R580 WeakPolarHBondContact OD1-CA 3.24Å; N334-R580 WeakPolarHBondContact OD1-CB 3.43Å; N334-R580 WeakPolarHBondContact OD1-CD 3.06Å; N334-R580 WeakPolarHBondContact OD1-CG 3.44Å; F574-R580 PolarHBondContact O-NE 3.33Å; F574-R580 PolarHBondContact O-NH2 3.18Å; A576-R580 PolarHBondContact O-N 2.74Å; S577-R580 PolarHBondContact O-N 3.45Å; R580-L583 PolarHBondContact O-N 2.94Å; R580-D584 PolarHBondContact O-N 2.98Å
581R93.9Very high91.8Very high3 Ų329.8 Ų29.81%0.01114%0.144CC..Hα-helixtrans-65.5-41179.8-64.3-164.668.7-148.1-6.9112.4D407 S577 Y579 L583 D584 N585 D674D407-R581 IonicContact OD1-CZ 3Å; D407-R581 IonicContact OD1-NE 2.79Å; D407-R581 PolarHBondContact OD1-NE 3.02Å; D407-R581 IonicContact OD1-NH2 3.75Å; D407-R581 PolarHBondContact OD1-NH2 2.92Å; D407-R581 VanDerWaalsContact OD2-CG 3.29Å; D407-R581 WeakPolarHBondContact OD2-CG 3.3Å; D407-R581 IonicContact OD2-CZ 2.67Å; D407-R581 IonicContact OD2-NE 2.67Å; D407-R581 PolarHBondContact OD2-NE 2.74Å; D407-R581 IonicContact OD2-NH2 3.89Å; S577-R581 WeakPolarHBondContact O-CG 3.44Å; S577-R581 PolarHBondContact O-N 3.48Å; Y579-R581 PolarHBondContact O-N 2.83Å; R581-L583 VanDerWaalsContact C-N 3.28Å; R581-L583 PolarHBondContact O-N 2.91Å; R581-D584 PolarHBondContact O-N 3.13Å; R581-N585 WeakPolarHBondContact O-CB 2.95Å; R581-N585 PolarHBondContact O-N 3.48Å; R581-N585 VanDerWaalsContact O-N 3.08Å; R581-N585 PolarHBondContact O-ND2 3.41Å; R581-N585 VanDerWaalsContact O-ND2 3.08Å; R581-D674 IonicContact CZ-OD1 2.64Å; R581-D674 IonicContact CZ-OD2 3.4Å; R581-D674 IonicContact NH1-OD1 3.77Å; R581-D674 IonicContact NH2-OD1 2.72Å; R581-D674 PolarHBondContact NH2-OD1 2.94Å; R581-D674 IonicContact NH2-OD2 3.14Å; R581-D674 PolarHBondContact NH2-OD2 2.73Å
582S94.7Very high91.9Very high2 Ų228.2 Ų28.21%0.01413%0.134CC..Hα-helixtrans-62.6-33.7176.2-73.30000113Y578 Y579 S614 A616Y578-S582 WeakPolarHBondContact O-CB 3.44Å; Y578-S582 PolarHBondContact O-N 3Å; Y578-S582 PolarHBondContact O-OG 3.37Å; Y579-S582 PolarHBondContact O-N 3.1Å; S582-S614 VanDerWaalsContact OG-CB 3.22Å; S582-S614 WeakPolarHBondContact OG-CB 3.14Å; S582-S614 PolarHBondContact OG-OG 3.34Å; S582-A616 WeakPolarHBondContact O-CB 3.37Å
583L93.7Very high91.8Very high5 Ų529.2 Ų29.23%0.02614%0.14CC..Hα-helixtrans-72.3-35.6178.6-70.8175.4000112.8A333 Y432 Y579 R580 R581 A616 K627 V630A333-L583 HydrophobicContact CB-CD1 3.82Å; Y432-L583 VanDerWaalsContact CE1-O 3.3Å; Y432-L583 WeakPolarHBondContact CE1-O 3.47Å; Y432-L583 HydrophobicContact CE2-CB 4.16Å; Y432-L583 WeakPolarHBondContact OH-CB 3.46Å; Y579-L583 HydrophobicContact CD1-CD1 3.8Å; Y579-L583 HydrophobicContact CD1-CG 4.46Å; Y579-L583 HydrophobicContact CE1-CD1 3.47Å; Y579-L583 VanDerWaalsContact CE1-CD1 3.47Å; Y579-L583 HydrophobicContact CE1-CG 4.28Å; Y579-L583 WeakPolarHBondContact O-CG 3.15Å; Y579-L583 PolarHBondContact O-N 2Å; R580-L583 PolarHBondContact O-N 2.94Å; R581-L583 VanDerWaalsContact C-N 3.28Å; R581-L583 PolarHBondContact O-N 2.91Å; L583-A616 HydrophobicContact CD2-CB 3.93Å; L583-K627 HydrophobicContact CD2-CB 3.64Å; L583-K627 HydrophobicContact CD2-CD 3.96Å; L583-K627 HydrophobicContact CD2-CG 4.46Å; L583-K627 PolarHBondContact O-NZ 2.98Å; L583-V630 HydrophobicContact CD2-CG2 4.19Å; L583-V630 HydrophobicContact CG-CG2 4.23Å
584D91.8Very high91.3Very high32 Ų3233.5 Ų33.517%0.17116%0.157CC..Hα-helixtrans-77.9-38.4179.8-79.1-8.1000112.1N334 A409 R411 Y432 R580 R581N334-D584 VanDerWaalsContact ND2-CG 3.3Å; N334-D584 PolarHBondContact ND2-OD1 3.41Å; A409-D584 HydrophobicContact CB-CB 4.16Å; R411-D584 IonicContact CZ-OD1 2.64Å; R411-D584 IonicContact CZ-OD2 3.88Å; R411-D584 IonicContact NH2-OD1 3.85Å; R411-D584 PolarHBondContact NH2-OD1 3.34Å; R411-D584 IonicContact NH2-OD2 2.81Å; R411-D584 PolarHBondContact NH2-OD2 2.99Å; Y432-D584 PolarHBondContact OH-OD1 2.93Å; R580-D584 PolarHBondContact O-N 2.98Å; R581-D584 PolarHBondContact O-N 3.13Å
585N90.6Very high90.3Very high42 Ų4237.3 Ų37.323%0.22517%0.171CC..SBendtrans-88.3166.4-176.9-68.3-61.8000113.3D407 R581 I589D407-N585 PolarHBondContact OD1-ND2 3.09Å; R581-N585 WeakPolarHBondContact O-CB 2.95Å; R581-N585 PolarHBondContact O-N 3.48Å; R581-N585 VanDerWaalsContact O-N 3.08Å; R581-N585 PolarHBondContact O-ND2 3.41Å; R581-N585 VanDerWaalsContact O-ND2 3.08Å; N585-I589 HydrophobicContact CB-CD1 3.53Å; N585-I589 HydrophobicContact CB-CG1 4.1Å
586K86.6Confident88.5Confident185 Ų18539 Ų3980%0.80419%0.187SC*.SBendtrans-115.8137.8172-67.4-174.8178.5-175.40109.5
587G89.9Confident86.1Confident25 Ų2544.2 Ų44.226%0.25823%0.23SC..SBendtrans96.9-163.5-176.800000112.2T615 N827G587-T615 PolarHBondContact O-OG1 2.86Å; G587-N827 WeakPolarHBondContact CA-O 2.99Å
588Y94.2Very high83.6Confident134 Ų13446.6 Ų46.653%0.52526%0.255SS..BIsolated β-bridgetrans-92.1125.6-177-57.8-83.3000110.7V613 T615 N827 T828Y588-V613 HydrophobicContact CD1-CG1 4.4Å; Y588-T615 HydrophobicContact CD1-CG2 4.12Å; Y588-T615 HydrophobicContact CE1-CG2 4.03Å; Y588-N827 PolarHBondContact N-O 3.02Å; Y588-T828 VanDerWaalsContact O-CA 3.32Å; Y588-T828 WeakPolarHBondContact O-CA 3.48Å
589I95.1Very high81.3Confident4 Ų449.8 Ų49.82%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-101.1118.2178.6-55.5-56.5000109N585 V613 S614 N829N585-I589 HydrophobicContact CB-CD1 3.53Å; N585-I589 HydrophobicContact CB-CG1 4.1Å; I589-V613 CarbonylContact O-C 3.54Å; I589-V613 VanDerWaalsContact O-CA 3.31Å; I589-V613 WeakPolarHBondContact O-CA 3.42Å; I589-S614 PolarHBondContact N-O 3.48Å; I589-S614 PolarHBondContact O-N 3.25Å; I589-N829 HydrophobicContact CD1-CB 4.28Å
590F94.4Very high78.7Confident19 Ų1956.2 Ų56.28%0.08332%0.317CS..EExtended strand (participates in β ladder)trans-91.4127.3172.6-69.5-107.1000108.3I611 V613 L635 W640 T828 N829 L830F590-I611 HydrophobicContact CD1-CG2 4.3Å; F590-V613 HydrophobicContact CD1-CG2 3.45Å; F590-V613 VanDerWaalsContact CD1-CG2 3.45Å; F590-V613 HydrophobicContact CD2-CG1 4.41Å; F590-V613 HydrophobicContact CE1-CG1 4.45Å; F590-V613 HydrophobicContact CE1-CG2 3.41Å; F590-V613 VanDerWaalsContact CE1-CG2 3.41Å; F590-V613 HydrophobicContact CE2-CG1 4.16Å; F590-V613 HydrophobicContact CE2-CG2 4.49Å; F590-V613 HydrophobicContact CG-CG2 4.03Å; F590-V613 HydrophobicContact CZ-CG1 4.18Å; F590-V613 HydrophobicContact CZ-CG2 3.97Å; F590-L635 HydrophobicContact CE1-CD1 3.97Å; F590-W640 HydrophobicContact CD1-CH2 4.14Å; F590-W640 AromaticContact CE1-CH2 3.7Å; F590-W640 HydrophobicContact CE1-CH2 3.7Å; F590-W640 AromaticContact CE1-CZ2 3.92Å; F590-W640 HydrophobicContact CE1-CZ2 3.92Å; F590-T828 HydrophobicContact CE2-CG2 3.84Å; F590-N829 PolarHBondContact N-OD1 3.08Å; F590-N829 PolarHBondContact O-ND2 2.9Å; F590-L830 HydrophobicContact CB-CD2 3.76Å; F590-L830 HydrophobicContact CB-CG 4.23Å; F590-L830 HydrophobicContact CD1-CD1 3.84Å; F590-L830 HydrophobicContact CD1-CD2 4.35Å; F590-L830 HydrophobicContact CD1-CG 4.44Å; F590-L830 HydrophobicContact CD2-CD1 3.54Å; F590-L830 HydrophobicContact CD2-CD2 4.2Å; F590-L830 HydrophobicContact CD2-CG 3.7Å; F590-L830 HydrophobicContact CE1-CD1 3.84Å; F590-L830 HydrophobicContact CE2-CD1 3.55Å; F590-L830 HydrophobicContact CE2-CG 4.18Å; F590-L830 HydrophobicContact CG-CD1 3.7Å; F590-L830 HydrophobicContact CG-CD2 3.85Å; F590-L830 HydrophobicContact CG-CG 3.87Å; F590-L830 HydrophobicContact CZ-CD1 3.71Å
591T91.9Very high76.1Confident3 Ų360.7 Ų60.72%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-110.2124.9176.8-53.60000108.5Y405 L612Y405-T591 HydrophobicContact CE2-CG2 4.42Å; T591-L612 PolarHBondContact N-O 3.23Å
592A89.6Confident73.4Confident1 Ų168 Ų681%0.00838%0.383CS..PPolyproline II helixtrans-67.9139.3176.500000110.7R404 Y405 F677 I679R404-A592 PolarHBondContact NH1-O 3.26Å; R404-A592 PolarHBondContact NH2-O 2.72Å; Y405-A592 PolarHBondContact OH-N 2.94Å; A592-F677 HydrophobicContact CB-CB 3.58Å; A592-F677 HydrophobicContact CB-CG 4.18Å; A592-I679 HydrophobicContact CB-CD1 3.61Å
593P87.4Confident70.7Confident23 Ų2373.4 Ų73.415%0.14941%0.411CS..PPolyproline II helixtrans-62.7149.2177.427.3-33.9000110.9V609 V690 G691P593-V609 HydrophobicContact CB-CG1 4.15Å; P593-V609 HydrophobicContact CG-CG1 3.73Å; P593-V690 HydrophobicContact CG-CG1 4.04Å; P593-G691 WeakPolarHBondContact O-CA 3.37Å
594Y78.4Confident68.4Low91 Ų9179.2 Ų79.236%0.35745%0.449SS..PPolyproline II helixtrans-79.8127.6176.7-60.6-80.6000109.7D402 R404D402-Y594 HydrophobicContact CB-CE1 4Å; D402-Y594 WeakPolarHBondContact CB-OH 3.42Å; D402-Y594 PolarHBondContact OD2-OH 3.15Å; R404-Y594 VanDerWaalsContact CZ-CE1 3.48Å
595R68.9Low66Low92 Ų9286.2 Ų86.235%0.34748%0.481SS..  trans-120.4115.2167.6-70.4-157.5-171.5-138.14.6109.7W687 S688 V690R595-W687 PolarHBondContact NH2-O 3.26Å; R595-S688 PolarHBondContact NE-O 2.97Å; R595-S688 PolarHBondContact NH1-O 3.42Å; R595-S688 PolarHBondContact NH2-O 3.15Å; R595-V690 WeakPolarHBondContact CD-O 3.44Å; R595-V690 PolarHBondContact NE-O 3.5Å
596S52Low63.9Low90 Ų9091 Ų9163%0.62951%0.506SS*.  trans-85.5139.5174.5-64.10000110.8G598 A599S596-G598 PolarHBondContact O-N 3.12Å; S596-A599 PolarHBondContact O-N 3.26Å; S596-A599 VanDerWaalsContact O-N 3.1Å
597A41.6Very low62.4Low110 Ų11087.9 Ų87.991%0.90950%0.499SS*.THydrogen-bonded Turntrans-63.198.2167.500000109.4
598G40.7Very low61.1Low56 Ų5689.6 Ų89.658%0.57750%0.504SS*.THydrogen-bonded Turntrans125.7-5.8-176.500000115.3S596 D600S596-G598 PolarHBondContact O-N 3.12Å; G598-D600 PolarHBondContact O-N 2.77Å
599A43.9Very low60.1Low67 Ų6785.2 Ų85.255%0.55449%0.491SS*.  trans-79.38.7172.700000113.6S596 L601S596-A599 PolarHBondContact O-N 3.26Å; S596-A599 VanDerWaalsContact O-N 3.1Å; A599-L601 PolarHBondContact O-N 3.3Å
600D40.5Very low59.5Low137 Ų13785.7 Ų85.773%0.73350%0.497SS*.THydrogen-bonded Turntrans-70.511.5176.1-73.6-27.5000114.1G598G598-D600 PolarHBondContact O-N 2.77Å
601L38.1Very low59.2Low153 Ų15384.8 Ų84.880%0.80149%0.493SS*.THydrogen-bonded Turntrans-119.12.6-172.1-71.2172.1000115.6A599A599-L601 PolarHBondContact O-N 3.3Å
602L36.6Very low59.2Low157 Ų15785.2 Ų85.282%0.82250%0.495SS*.SBendtrans-117.889.2172.6-72.5166.2000109.9
603N39.3Very low59.5Low115 Ų11585.6 Ų85.662%0.61550%0.498SS*.  trans45.781.7159.4-64.5-16.4000117.4E605N603-E605 PolarHBondContact O-N 3.03Å
604P44.5Very low59.9Low127 Ų12784.6 Ų84.683%0.82549%0.491SS*.THydrogen-bonded Turntrans-65.4-4.816926.9-33.8000114.5
605E42.7Very low60.7Low179 Ų17982.2 Ų82.284%0.83649%0.486SS*.THydrogen-bonded Turntrans-88-14.3-173.8-69.3-165.5162.600115.2N603N603-E605 PolarHBondContact O-N 3.03Å
606N45.5Very low62Low142 Ų14278.5 Ų78.576%0.75948%0.475SS*.THydrogen-bonded Turntrans-130.4-16.2-171.5-82.7-21.1000117.3
607D54.2Low63.9Low120 Ų12077.6 Ų77.664%0.64246%0.463SS*.  trans-105.1111.4-178.9-78.1-27000111.3
608T64.2Low66.2Low62 Ų6276.6 Ų76.638%0.3844%0.442SS..PPolyproline II helixtrans-67133172.746.70000110.1G610T608-G610 PolarHBondContact O-N 2.9Å
609V72.8Confident68.5Low42 Ų4277 Ų7726%0.25543%0.43SS..PPolyproline II helixtrans-67116.7177.9179.30000108.9P593 L637 V690P593-V609 HydrophobicContact CB-CG1 4.15Å; P593-V609 HydrophobicContact CG-CG1 3.73Å; V609-L637 HydrophobicContact CB-CB 4.34Å; V609-L637 HydrophobicContact CB-CD2 4.01Å; V609-L637 HydrophobicContact CG1-CD2 4.4Å; V609-L637 VanDerWaalsContact O-CB 3.3Å; V609-L637 WeakPolarHBondContact O-CB 3.38Å; V609-L637 PolarHBondContact O-N 2.89Å; V609-V690 HydrophobicContact CG1-CG1 4.38Å
610G81.7Confident70.6Confident13 Ų1378.6 Ų78.613%0.13443%0.433CS..EExtended strand (participates in β ladder)trans-96.1121.4-179.800000112.9T608 L635T608-G610 PolarHBondContact O-N 2.9Å; G610-L635 VanDerWaalsContact CA-O 3.27Å; G610-L635 WeakPolarHBondContact CA-O 3.47Å
611I89Confident72.8Confident0 Ų077.4 Ų77.40%043%0.426CS..EExtended strand (participates in β ladder)trans-91.5126.9173.8-60.7157.2000109.1F590 K634 L635 L637 W640 I679F590-I611 HydrophobicContact CD1-CG2 4.3Å; I611-K634 CarbonylContact O-C 3.41Å; I611-K634 WeakPolarHBondContact O-CA 3.38Å; I611-L635 HydrophobicContact CB-CB 4.39Å; I611-L635 PolarHBondContact N-O 2.84Å; I611-L635 PolarHBondContact O-N 2.8Å; I611-L637 HydrophobicContact CD1-CD1 3.83Å; I611-W640 HydrophobicContact CD1-CE3 3.89Å; I611-W640 HydrophobicContact CD1-CZ3 3.81Å; I611-I679 HydrophobicContact CD1-CG2 3.77Å; I611-I679 WeakPolarHBondContact CD1-O 3.37Å; I611-I679 HydrophobicContact CG1-CG2 4.43Å; I611-I679 HydrophobicContact CG2-CG2 4.16Å
612L92.1Very high75.1Confident12 Ų1274 Ų746%0.06343%0.428CS..EExtended strand (participates in β ladder)trans-86.4129.5-179.4-165.774.6000110.6F548 W567 E569 Y578 T591F548-L612 HydrophobicContact CD1-CD1 4.11Å; F548-L612 HydrophobicContact CE1-CD1 3.29Å; F548-L612 HydrophobicContact CE1-CG 4.05Å; F548-L612 HydrophobicContact CZ-CD1 3.8Å; F548-L612 HydrophobicContact CZ-CD2 4.36Å; F548-L612 HydrophobicContact CZ-CG 4.15Å; W567-L612 HydrophobicContact CH2-CD1 3.99Å; W567-L612 HydrophobicContact CZ3-CD1 4.05Å; E569-L612 HydrophobicContact CG-CD2 4.47Å; Y578-L612 HydrophobicContact CD1-CD2 3.7Å; Y578-L612 HydrophobicContact CD2-CD2 4.47Å; Y578-L612 HydrophobicContact CE1-CD2 4.47Å; Y578-L612 HydrophobicContact CG-CD2 3.71Å; T591-L612 PolarHBondContact N-O 3.23Å
613V95.1Very high77.3Confident10 Ų1070.4 Ų70.46%0.06143%0.428CS..EExtended strand (participates in β ladder)trans-120.8130.6172.9-175.20000109.2Y588 I589 F590 G632 V633 L635Y588-V613 HydrophobicContact CD1-CG1 4.4Å; I589-V613 CarbonylContact O-C 3.54Å; I589-V613 VanDerWaalsContact O-CA 3.31Å; I589-V613 WeakPolarHBondContact O-CA 3.42Å; F590-V613 HydrophobicContact CD1-CG2 3.45Å; F590-V613 VanDerWaalsContact CD1-CG2 3.45Å; F590-V613 HydrophobicContact CD2-CG1 4.41Å; F590-V613 HydrophobicContact CE1-CG1 4.45Å; F590-V613 HydrophobicContact CE1-CG2 3.41Å; F590-V613 VanDerWaalsContact CE1-CG2 3.41Å; F590-V613 HydrophobicContact CE2-CG1 4.16Å; F590-V613 HydrophobicContact CE2-CG2 4.49Å; F590-V613 HydrophobicContact CG-CG2 4.03Å; F590-V613 HydrophobicContact CZ-CG1 4.18Å; F590-V613 HydrophobicContact CZ-CG2 3.97Å; V613-G632 CarbonylContact O-C 3.57Å; V613-G632 WeakPolarHBondContact O-CA 3.21Å; V613-V633 HydrophobicContact CB-CG2 3.99Å; V613-V633 PolarHBondContact N-O 2.67Å; V613-V633 PolarHBondContact O-N 3.37Å; V613-L635 HydrophobicContact CG2-CD1 3.57Å; V613-L635 HydrophobicContact CG2-CG 3.89Å
614S95.9Very high79.6Confident1 Ų170.3 Ų70.31%0.00742%0.423CS..EExtended strand (participates in β ladder)trans-137.1149.8-17553.90000112.2S582 I589 L631S582-S614 VanDerWaalsContact OG-CB 3.22Å; S582-S614 WeakPolarHBondContact OG-CB 3.14Å; S582-S614 PolarHBondContact OG-OG 3.34Å; I589-S614 PolarHBondContact N-O 3.48Å; I589-S614 PolarHBondContact O-N 3.25Å; S614-L631 CarbonylContact C-O 3.53Å; S614-L631 WeakPolarHBondContact CA-O 3.04Å
615T95.9Very high81.5Confident41 Ų4167.4 Ų67.425%0.25240%0.402SS..EExtended strand (participates in β ladder)trans-147.1138.9175-177.90000110G587 Y588 V630 L631G587-T615 PolarHBondContact O-OG1 2.86Å; Y588-T615 HydrophobicContact CD1-CG2 4.12Å; Y588-T615 HydrophobicContact CE1-CG2 4.03Å; T615-V630 WeakPolarHBondContact O-CA 3.35Å; T615-L631 PolarHBondContact N-O 3.43Å; T615-L631 PolarHBondContact O-N 3.5Å
616A94.9Very high83.7Confident15 Ų1559.8 Ų59.812%0.12437%0.368CS..EExtended strand (participates in β ladder)trans-77.7141.6172.100000111.3S582 L583 K627 V630S582-A616 WeakPolarHBondContact O-CB 3.37Å; L583-A616 HydrophobicContact CD2-CB 3.93Å; A616-K627 HydrophobicContact CB-CD 4.01Å; A616-V630 HydrophobicContact CB-CG2 4.31Å
617L91.9Very high85.9Confident71 Ų7154.4 Ų54.437%0.37234%0.338SS..  trans-79.4121.9171.5-175.663.4000109.2I619 K627 P628 A629L617-I619 HydrophobicContact CD2-CD1 3.73Å; L617-I619 HydrophobicContact CD2-CG1 4.07Å; L617-I619 HydrophobicContact CG-CD1 4.07Å; L617-I619 HydrophobicContact CG-CG1 3.82Å; L617-K627 VanDerWaalsContact O-CA 3.24Å; L617-K627 WeakPolarHBondContact O-CA 3.28Å; L617-P628 HydrophobicContact CD2-CG 4.24Å; L617-A629 WeakPolarHBondContact CB-O 3.49Å; L617-A629 PolarHBondContact N-O 2.96Å
618D89.7Confident87.6Confident89 Ų8950 Ų5048%0.47632%0.316SS..  trans-107.3111.5178.1-165.2-13.8000109.5
619I89.4Confident89Confident63 Ų6347.7 Ų47.732%0.32330%0.303SS..EExtended strand (participates in β ladder)trans-116.4134.8-178.2-45.9-177.8000109.3L617 I621 T625 V626 P628L617-I619 HydrophobicContact CD2-CD1 3.73Å; L617-I619 HydrophobicContact CD2-CG1 4.07Å; L617-I619 HydrophobicContact CG-CD1 4.07Å; L617-I619 HydrophobicContact CG-CG1 3.82Å; I619-I621 HydrophobicContact CG2-CD1 4.21Å; I619-I621 HydrophobicContact CG2-CG1 3.8Å; I619-T625 CarbonylContact O-C 3.24Å; I619-T625 WeakPolarHBondContact O-CA 3.13Å; I619-V626 PolarHBondContact N-O 3.5Å; I619-V626 PolarHBondContact O-N 2.99Å; I619-P628 HydrophobicContact CD1-CG 3.75Å; I619-P628 HydrophobicContact CG1-CG 4.38Å
620T89.3Confident90.1Very high101 Ų10145.7 Ų45.762%0.6229%0.291SS*.EExtended strand (participates in β ladder)trans-106.1113.5171.643.80000110.6K624 T625T620-K624 CarbonylContact C-O 3.46Å; T620-K624 WeakPolarHBondContact CA-O 3.47Å; T620-T625 HydrophobicContact CG2-CG2 3.52Å
621I86.9Confident90.7Very high112 Ų11247.7 Ų47.757%0.57430%0.298SS*.EExtended strand (participates in β ladder)trans-118.5118177.5-55178.4000108.1I619 G623 K624I619-I621 HydrophobicContact CG2-CD1 4.21Å; I619-I621 HydrophobicContact CG2-CG1 3.8Å; I621-G623 VanDerWaalsContact C-N 3.26Å; I621-G623 PolarHBondContact O-N 3.05Å; I621-K624 PolarHBondContact N-O 2.96Å; I621-K624 WeakPolarHBondContact O-CB 3.25Å; I621-K624 PolarHBondContact O-N 3.5Å
622G84.4Confident91Very high83 Ų8348.2 Ų48.286%0.85630%0.304SS*.THydrogen-bonded Turntrans58.933.3177.800000114.3K624G622-K624 VanDerWaalsContact C-N 3.3Å; G622-K624 PolarHBondContact O-N 3.26Å
623G84.3Confident91Very high80 Ų8049.2 Ų49.283%0.82531%0.31SS*.THydrogen-bonded Turntrans80.62.8-177.300000115.1I621I621-G623 VanDerWaalsContact C-N 3.26Å; I621-G623 PolarHBondContact O-N 3.05Å
624K86.2Confident90.8Very high114 Ų11450.4 Ų50.450%0.49632%0.315SS..EExtended strand (participates in β ladder)trans-106129.1176.2-62.8176167.4-154.60110.3N435 T620 I621 G622N435-K624 WeakPolarHBondContact OD1-CD 3.44Å; N435-K624 PolarHBondContact OD1-NZ 3.09Å; T620-K624 CarbonylContact C-O 3.46Å; T620-K624 WeakPolarHBondContact CA-O 3.47Å; I621-K624 PolarHBondContact N-O 2.96Å; I621-K624 WeakPolarHBondContact O-CB 3.25Å; I621-K624 PolarHBondContact O-N 3.5Å; G622-K624 VanDerWaalsContact C-N 3.3Å; G622-K624 PolarHBondContact O-N 3.26Å
625T86.3Confident90.6Very high65 Ų6551 Ų5140%0.39932%0.317SS..EExtended strand (participates in β ladder)trans-84.3132.6174.251.20000110.3I619 T620I619-T625 CarbonylContact O-C 3.24Å; I619-T625 WeakPolarHBondContact O-CA 3.13Å; T620-T625 HydrophobicContact CG2-CG2 3.52Å
626V88.3Confident90.2Very high19 Ų1950.4 Ų50.412%0.11531%0.313CS..EExtended strand (participates in β ladder)trans-137.2142.8175.3-175.60000109.2N435 V437 I619 P628N435-V626 HydrophobicContact CB-CG2 4.14Å; V437-V626 HydrophobicContact CG2-CG1 3.97Å; I619-V626 PolarHBondContact N-O 3.5Å; I619-V626 PolarHBondContact O-N 2.99Å; V626-P628 WeakPolarHBondContact O-CD 3.25Å
627K90.9Very high89.7Confident29 Ų2950.1 Ų50.113%0.12631%0.309CS..  trans-114.490.8175.4-64.4-174.5173.5-167.20111.1Y432 L583 A616 L617Y432-K627 HydrophobicContact CD1-CD 4.46Å; Y432-K627 HydrophobicContact CD2-CD 4.26Å; Y432-K627 HydrophobicContact CG-CD 4.15Å; L583-K627 HydrophobicContact CD2-CB 3.64Å; L583-K627 HydrophobicContact CD2-CD 3.96Å; L583-K627 HydrophobicContact CD2-CG 4.46Å; L583-K627 PolarHBondContact O-NZ 2.98Å; A616-K627 HydrophobicContact CB-CD 4.01Å; L617-K627 VanDerWaalsContact O-CA 3.24Å; L617-K627 WeakPolarHBondContact O-CA 3.28Å
628P89.9Confident89.2Confident28 Ų2852.1 Ų52.118%0.18232%0.317CS..  trans-86.4-20.9-170.832.7-35.7000114.6D552 L617 I619 V626D552-P628 WeakPolarHBondContact CB-O 3.47Å; D552-P628 PolarHBondContact N-O 2.83Å; L617-P628 HydrophobicContact CD2-CG 4.24Å; I619-P628 HydrophobicContact CD1-CG 3.75Å; I619-P628 HydrophobicContact CG1-CG 4.38Å; V626-P628 WeakPolarHBondContact O-CD 3.25Å
629A93.1Very high88.9Confident13 Ų1349.2 Ų49.211%0.10731%0.305CS..EExtended strand (participates in β ladder)trans-151156.2-173.500000111.8A550 T551 L617A550-A629 CarbonylContact O-C 3.57Å; A550-A629 WeakPolarHBondContact O-CA 3.44Å; A550-A629 WeakPolarHBondContact O-CB 3.47Å; T551-A629 HydrophobicContact CG2-CB 4.01Å; L617-A629 WeakPolarHBondContact CB-O 3.49Å; L617-A629 PolarHBondContact N-O 2.96Å
630V95.9Very high88.6Confident0 Ų048.8 Ų48.80%030%0.3CS..EExtended strand (participates in β ladder)trans-116.2124.3170.7176.80000107.7A550 Y578 Y579 L583 T615 A616A550-V630 PolarHBondContact N-O 3.1Å; A550-V630 PolarHBondContact O-N 3.18Å; Y578-V630 HydrophobicContact CD2-CG1 4.27Å; Y578-V630 HydrophobicContact CE2-CG1 4.43Å; Y579-V630 HydrophobicContact CD2-CB 3.63Å; Y579-V630 HydrophobicContact CD2-CG2 3.51Å; Y579-V630 HydrophobicContact CE2-CB 3.83Å; Y579-V630 HydrophobicContact CE2-CG2 3.59Å; Y579-V630 HydrophobicContact CG-CB 4.47Å; Y579-V630 HydrophobicContact CG-CG2 4Å; L583-V630 HydrophobicContact CD2-CG2 4.19Å; L583-V630 HydrophobicContact CG-CG2 4.23Å; T615-V630 WeakPolarHBondContact O-CA 3.35Å; A616-V630 HydrophobicContact CB-CG2 4.31Å
631L95.1Very high88.1Confident55 Ų5544.2 Ų44.229%0.28827%0.271SS..EExtended strand (participates in β ladder)trans-105.3148.6177.4-62.1170.4000108.5L529 A549 S614 T615L529-L631 HydrophobicContact CD2-CD2 3.91Å; A549-L631 HydrophobicContact CB-CD2 3.5Å; S614-L631 CarbonylContact C-O 3.53Å; S614-L631 WeakPolarHBondContact CA-O 3.04Å; T615-L631 PolarHBondContact N-O 3.43Å; T615-L631 PolarHBondContact O-N 3.5Å
632G94.6Very high87.6Confident11 Ų1142.9 Ų42.911%0.11327%0.266CS..EExtended strand (participates in β ladder)trans-163.2175.7177.100000114.7F548 V613F548-G632 VanDerWaalsContact CD1-C 3.42Å; F548-G632 WeakPolarHBondContact CD1-O 3.21Å; F548-G632 PolarHBondContact N-O 2.9Å; F548-G632 PolarHBondContact O-N 3.09Å; V613-G632 CarbonylContact O-C 3.57Å; V613-G632 WeakPolarHBondContact O-CA 3.21Å
633V93.5Very high87.2Confident33 Ų3342.8 Ų42.820%0.224%0.241CC..EExtended strand (participates in β ladder)trans-136.2146.9179.5-56.10000109.7F544 A546 V547 V613 L635F544-V633 HydrophobicContact CD1-CG2 4.46Å; F544-V633 HydrophobicContact CD2-CG1 4.37Å; F544-V633 HydrophobicContact CE1-CG2 4.33Å; F544-V633 HydrophobicContact CE2-CG1 4.35Å; A546-V633 CarbonylContact O-C 3.51Å; A546-V633 VanDerWaalsContact O-CA 3.29Å; A546-V633 WeakPolarHBondContact O-CA 3.12Å; V547-V633 HydrophobicContact CB-CG1 4.49Å; V547-V633 HydrophobicContact CG1-CG1 3.89Å; V613-V633 HydrophobicContact CB-CG2 3.99Å; V613-V633 PolarHBondContact N-O 2.67Å; V613-V633 PolarHBondContact O-N 3.37Å; V633-L635 HydrophobicContact CG2-CD2 3.7Å; V633-L635 HydrophobicContact CG2-CG 4.28Å
634K90.9Very high86.4Confident35 Ų3540.8 Ų40.815%0.15221%0.21CC..EExtended strand (participates in β ladder)trans-99.4112168.1-166.1171.9-178.5179.10106.7L545 A546 T566 I611L545-K634 HydrophobicContact CB-CB 4.39Å; L545-K634 HydrophobicContact CB-CG 4.44Å; L545-K634 HydrophobicContact CD1-CG 4.44Å; L545-K634 PolarHBondContact N-O 2.95Å; A546-K634 HydrophobicContact CB-CB 3.9Å; A546-K634 PolarHBondContact N-O 3.44Å; A546-K634 PolarHBondContact O-N 3.41Å; T566-K634 PolarHBondContact O-NZ 3.29Å; I611-K634 CarbonylContact O-C 3.41Å; I611-K634 WeakPolarHBondContact O-CA 3.38Å
635L90.3Very high85.3Confident13 Ų1338.4 Ų38.47%0.06820%0.2CC..EExtended strand (participates in β ladder)trans-81.9143.8-178.9-59.9-178.6000110.4F544 F590 G610 I611 V613 V633 W640F544-L635 HydrophobicContact CD1-CD2 3.39Å; F544-L635 HydrophobicContact CE1-CD2 3.38Å; F590-L635 HydrophobicContact CE1-CD1 3.97Å; G610-L635 VanDerWaalsContact CA-O 3.27Å; G610-L635 WeakPolarHBondContact CA-O 3.47Å; I611-L635 HydrophobicContact CB-CB 4.39Å; I611-L635 PolarHBondContact N-O 2.84Å; I611-L635 PolarHBondContact O-N 2.8Å; V613-L635 HydrophobicContact CG2-CD1 3.57Å; V613-L635 HydrophobicContact CG2-CG 3.89Å; V633-L635 HydrophobicContact CG2-CD2 3.7Å; V633-L635 HydrophobicContact CG2-CG 4.28Å; L635-W640 HydrophobicContact CD1-CD2 4.24Å; L635-W640 HydrophobicContact CD1-CE3 4.41Å
636D87.6Confident83.7Confident30 Ų3040.7 Ų40.716%0.1621%0.208CC..EExtended strand (participates in β ladder)trans-82.3120167.9-176.59.3000110.1G543 L545 E638 A639 W640G543-D636 PolarHBondContact O-N 3.26Å; L545-D636 HydrophobicContact CD1-CB 4.31Å; L545-D636 HydrophobicContact CD2-CB 3.86Å; L545-D636 HydrophobicContact CG-CB 3.81Å; D636-E638 VanDerWaalsContact C-N 3.31Å; D636-E638 PolarHBondContact O-N 3.09Å; D636-E638 PolarHBondContact OD1-N 3.11Å; D636-A639 HydrophobicContact CB-CB 4.06Å; D636-W640 VanDerWaalsContact O-CB 3.22Å; D636-W640 WeakPolarHBondContact O-CB 3.14Å; D636-W640 PolarHBondContact O-N 2.85Å
637L84.4Confident81.9Confident8 Ų846.8 Ų46.84%0.04224%0.239CC..Hα-helixtrans-58.3-42.4-178.617767000111.9V609 I611 W640 T641 M680 V690V609-L637 HydrophobicContact CB-CB 4.34Å; V609-L637 HydrophobicContact CB-CD2 4.01Å; V609-L637 HydrophobicContact CG1-CD2 4.4Å; V609-L637 VanDerWaalsContact O-CB 3.3Å; V609-L637 WeakPolarHBondContact O-CB 3.38Å; V609-L637 PolarHBondContact O-N 2.89Å; I611-L637 HydrophobicContact CD1-CD1 3.83Å; L637-W640 PolarHBondContact O-N 3.1Å; L637-T641 WeakPolarHBondContact O-CB 3.44Å; L637-T641 PolarHBondContact O-N 3.03Å; L637-T641 PolarHBondContact O-OG1 3.35Å; L637-M680 HydrophobicContact CD1-CB 4.47Å; L637-M680 HydrophobicContact CD1-CG 4.45Å; L637-V690 HydrophobicContact CD1-CG2 4.48Å; L637-V690 HydrophobicContact CD2-CB 4.43Å; L637-V690 HydrophobicContact CD2-CG1 4.43Å; L637-V690 HydrophobicContact CD2-CG2 4.11Å
638E82.6Confident79.9Confident113 Ų11346.4 Ų46.453%0.52824%0.244SC..Hα-helixtrans-67.6-53.6-175.8-66.4-172.4175.100111.1D636 W640 T641 D642D636-E638 VanDerWaalsContact C-N 3.31Å; D636-E638 PolarHBondContact O-N 3.09Å; D636-E638 PolarHBondContact OD1-N 3.11Å; E638-W640 PolarHBondContact O-N 2.86Å; E638-T641 PolarHBondContact O-N 3.11Å; E638-D642 PolarHBondContact O-N 2.77Å
639A82.9Confident77.7Confident28 Ų2851.4 Ų51.423%0.23127%0.265CS..Hα-helixtrans-60.4-33178.600000112.5D636 K643D636-A639 HydrophobicContact CB-CB 4.06Å; A639-K643 PolarHBondContact O-N 2.97Å
640W83.1Confident75.4Confident55 Ų5553.9 Ų53.921%0.20828%0.281CS..Hα-helixtrans-76.4-38.5178.1-167.544.5000112.7F590 I611 L635 D636 L637 E638 D642 K643 F644 L671 I679 M680 L830F590-W640 HydrophobicContact CD1-CH2 4.14Å; F590-W640 AromaticContact CE1-CH2 3.7Å; F590-W640 HydrophobicContact CE1-CH2 3.7Å; F590-W640 AromaticContact CE1-CZ2 3.92Å; F590-W640 HydrophobicContact CE1-CZ2 3.92Å; I611-W640 HydrophobicContact CD1-CE3 3.89Å; I611-W640 HydrophobicContact CD1-CZ3 3.81Å; L635-W640 HydrophobicContact CD1-CD2 4.24Å; L635-W640 HydrophobicContact CD1-CE3 4.41Å; D636-W640 VanDerWaalsContact O-CB 3.22Å; D636-W640 WeakPolarHBondContact O-CB 3.14Å; D636-W640 PolarHBondContact O-N 2.85Å; L637-W640 PolarHBondContact O-N 3.1Å; E638-W640 PolarHBondContact O-N 2.86Å; W640-D642 VanDerWaalsContact C-N 3.27Å; W640-D642 PolarHBondContact O-N 2.84Å; W640-K643 PolarHBondContact O-N 3.03Å; W640-K643 VanDerWaalsContact O-N 3.12Å; W640-F644 PolarHBondContact O-N 3.28Å; W640-L671 HydrophobicContact CH2-CD2 3.25Å; W640-L671 HydrophobicContact CZ2-CD2 3.96Å; W640-L671 HydrophobicContact CZ3-CD2 3.84Å; W640-I679 HydrophobicContact CH2-CG2 4.2Å; W640-I679 HydrophobicContact CZ3-CG2 3.75Å; W640-M680 HydrophobicContact CE3-SD 4.12Å; W640-M680 HydrophobicContact CZ3-CB 4.44Å; W640-M680 HydrophobicContact CZ3-SD 4.41Å; W640-L830 HydrophobicContact CH2-CD1 4.49Å
641T78.5Confident73.1Confident4 Ų456.3 Ų56.33%0.02531%0.306CS..Hα-helixtrans-61.4-38.2174.3-55.50000110.8L637 E638 K643 F644 K645 W687L637-T641 WeakPolarHBondContact O-CB 3.44Å; L637-T641 PolarHBondContact O-N 3.03Å; L637-T641 PolarHBondContact O-OG1 3.35Å; E638-T641 PolarHBondContact O-N 3.11Å; T641-K643 PolarHBondContact O-N 3.26Å; T641-F644 WeakPolarHBondContact O-CB 3.44Å; T641-F644 PolarHBondContact O-N 3.29Å; T641-K645 WeakPolarHBondContact O-CG 3.16Å; T641-K645 PolarHBondContact O-N 3.35Å; T641-K645 VanDerWaalsContact O-N 3.1Å; T641-W687 HydrophobicContact CG2-CZ2 3.8Å
642D76.6Confident70.9Confident85 Ų8560.3 Ų60.346%0.45534%0.335SS..Hα-helixtrans-63.5-38.6174.1-77.2-16.2000113.1E638 W640 F644 K645E638-D642 PolarHBondContact O-N 2.77Å; W640-D642 VanDerWaalsContact C-N 3.27Å; W640-D642 PolarHBondContact O-N 2.84Å; D642-F644 VanDerWaalsContact C-N 3.33Å; D642-K645 WeakPolarHBondContact O-CB 3.5Å; D642-K645 PolarHBondContact O-N 2.91Å; D642-K645 WeakPolarHBondContact OD1-CE 3.23Å; D642-K645 IonicContact OD1-NZ 2.73Å; D642-K645 PolarHBondContact OD1-NZ 2.67Å
643K75.3Confident68.5Low80 Ų8067.4 Ų67.435%0.34837%0.37SS..Hα-helixtrans-69.5-33174-71.7178.7-177.3-179.20112.2T541 Y542 A639 W640 T641 I646 L647T541-K643 PolarHBondContact O-NZ 2.02Å; T541-K643 VanDerWaalsContact O-NZ 3.09Å; Y542-K643 PolarHBondContact O-NZ 3.35Å; A639-K643 PolarHBondContact O-N 2.97Å; W640-K643 PolarHBondContact O-N 3.03Å; W640-K643 VanDerWaalsContact O-N 3.12Å; T641-K643 PolarHBondContact O-N 3.26Å; K643-I646 PolarHBondContact O-N 3.31Å; K643-L647 PolarHBondContact O-N 3.49Å
644F68.3Low66.3Low39 Ų3976.1 Ų76.117%0.17140%0.4CS..Hα-helixtrans-64.3-40.2176.4-175.3-101000112W640 T641 D642 I646 L647 G648 C660 M680 F832W640-F644 PolarHBondContact O-N 3.28Å; T641-F644 WeakPolarHBondContact O-CB 3.44Å; T641-F644 PolarHBondContact O-N 3.29Å; D642-F644 VanDerWaalsContact C-N 3.33Å; F644-I646 PolarHBondContact O-N 2.94Å; F644-L647 PolarHBondContact O-N 3.16Å; F644-L647 VanDerWaalsContact O-N 3.1Å; F644-G648 PolarHBondContact O-N 3.11Å; F644-C660 HydrophobicContact CE1-CB 4.39Å; F644-M680 HydrophobicContact CB-CE 3.81Å; F644-M680 HydrophobicContact CB-SD 3.89Å; F644-M680 HydrophobicContact CD1-CE 3.45Å; F644-M680 VanDerWaalsContact CD1-CE 3.45Å; F644-M680 HydrophobicContact CD1-SD 4.34Å; F644-M680 HydrophobicContact CD2-CE 3.34Å; F644-M680 HydrophobicContact CD2-SD 4.46Å; F644-M680 HydrophobicContact CE1-CE 3.81Å; F644-M680 HydrophobicContact CE2-CE 3.71Å; F644-M680 HydrophobicContact CG-CE 3.2Å; F644-M680 HydrophobicContact CG-SD 3.97Å; F644-M680 HydrophobicContact CZ-CE 3.94Å; F644-F832 HydrophobicContact CE1-CE2 4.37Å; F644-F832 HydrophobicContact CE2-CD2 4.42Å; F644-F832 HydrophobicContact CE2-CE2 4.09Å; F644-F832 HydrophobicContact CZ-CD2 4.12Å; F644-F832 AromaticContact CZ-CE2 3.4Å; F644-F832 HydrophobicContact CZ-CE2 3.4Å; F644-F832 AromaticContact CZ-CZ 3.87Å; F644-F832 HydrophobicContact CZ-CZ 3.87Å
645K63.3Low64Low63 Ų6378.7 Ų78.727%0.27444%0.436SS..Hα-helixtrans-54.7-34.3173.7-65.3168-161.4171.60112.6T641 D642 A662T641-K645 WeakPolarHBondContact O-CG 3.16Å; T641-K645 PolarHBondContact O-N 3.35Å; T641-K645 VanDerWaalsContact O-N 3.1Å; D642-K645 WeakPolarHBondContact O-CB 3.5Å; D642-K645 PolarHBondContact O-N 2.91Å; D642-K645 WeakPolarHBondContact OD1-CE 3.23Å; D642-K645 IonicContact OD1-NZ 2.73Å; D642-K645 PolarHBondContact OD1-NZ 2.67Å; K645-A662 HydrophobicContact CD-CB 4.11Å; K645-A662 HydrophobicContact CG-CB 4.45Å
646I53Low62.2Low113 Ų11381.3 Ų81.358%0.57946%0.455SS*.Hα-helixtrans-77.2-33.7-178.6-60169.5000111.6K643 F644 G648 Q649K643-I646 PolarHBondContact O-N 3.31Å; F644-I646 PolarHBondContact O-N 2.94Å; I646-G648 VanDerWaalsContact C-N 3.31Å; I646-G648 PolarHBondContact O-N 3.09Å; I646-Q649 PolarHBondContact O-N 3.27Å
647L50.1Low60.4Low147 Ų14789.4 Ų89.477%0.7749%0.492SS*.Hα-helixtrans-75.1-19.7179.7-73.8166.8000113.4K643 F644 Q649K643-L647 PolarHBondContact O-N 3.49Å; F644-L647 PolarHBondContact O-N 3.16Å; F644-L647 VanDerWaalsContact O-N 3.1Å; L647-Q649 VanDerWaalsContact C-N 3.28Å
648G48.1Very low59.1Low22 Ų2293.1 Ų93.123%0.22751%0.51CS..THydrogen-bonded Turntrans-70.7-21.2170.300000113.8F644 I646 C650F644-G648 PolarHBondContact O-N 3.11Å; I646-G648 VanDerWaalsContact C-N 3.31Å; I646-G648 PolarHBondContact O-N 3.09Å; G648-C650 PolarHBondContact O-N 3.42Å
649Q43.6Very low58.2Low133 Ų13390.6 Ų90.662%0.62150%0.5SS*.  trans-78.7106.8179.6-70.5-176.1-12.600111.2I646 L647I646-Q649 PolarHBondContact O-N 3.27Å; L647-Q649 VanDerWaalsContact C-N 3.28Å
650C46.6Very low57.6Low65 Ų6589.9 Ų89.944%0.43949%0.493SS..  trans-68.2141.3170.6-71.20000111.4G648 C656G648-C650 PolarHBondContact O-N 3.42Å; C650-C656 HydrophobicContact CB-CB 3.62Å; C650-C656 WeakPolarHBondContact CB-SG 3.41Å; C650-C656 WeakPolarHBondContact SG-CB 3.21Å; C650-C656 CovalentContact SG-SG 2.02Å; C650-C656 PolarHBondContact SG-SG 3.48Å
651G46.7Very low57.1Low51 Ų5193 Ų9353%0.52651%0.51SS..  trans-56.9161.9179.800000113.8N653 R654G651-N653 PolarHBondContact O-N 3.26Å; G651-R654 PolarHBondContact O-N 2.62Å
652P47.8Very low56.8Low139 Ų13994.9 Ų94.990%0.90353%0.526SS*.THydrogen-bonded Turntrans-62.2-4.6-159.920.5-32.7000117.3
653N46Very low56.7Low159 Ų15994.1 Ų94.185%0.8552%0.522SS*.THydrogen-bonded Turntrans-127.312.9-172.3-84.8-13000115.6G651G651-N653 PolarHBondContact O-N 3.26Å
654R47.2Very low56.8Low216 Ų21691.2 Ų91.282%0.81551%0.512SS*.SBendtrans-135.5110.6167.4-72.5-173.6179.6179.2-0.3108.9G651 C656G651-R654 PolarHBondContact O-N 2.62Å; R654-C656 PolarHBondContact O-N 3.44Å; R654-C656 VanDerWaalsContact O-N 3.14Å
655G42.9Very low57.1Low89 Ų8995.5 Ų95.592%0.91854%0.537SS*.  trans-57.4117.4171.500000109.3
656C50.7Low57.9Low68 Ų6898.5 Ų98.546%0.45956%0.555SS.*  trans-97.8124.3168.4-77.80000107.3C650 R654 M658C650-C656 HydrophobicContact CB-CB 3.62Å; C650-C656 WeakPolarHBondContact CB-SG 3.41Å; C650-C656 WeakPolarHBondContact SG-CB 3.21Å; C650-C656 CovalentContact SG-SG 2.02Å; C650-C656 PolarHBondContact SG-SG 3.48Å; R654-C656 PolarHBondContact O-N 3.44Å; R654-C656 VanDerWaalsContact O-N 3.14Å; C656-M658 VanDerWaalsContact C-N 3.26Å
657E51Low59.4Low200 Ų20094.2 Ų94.294%0.93553%0.534SS*.SBendtrans-84.4-1.9-175.1-153.8168.1-163.900112.2
658M55.9Low61.2Low86 Ų8688 Ų8842%0.42450%0.501SS..  trans-130.1104.5175.3-65.3-162.3-70.600109.6C656 L667 H821 V834C656-M658 VanDerWaalsContact C-N 3.26Å; M658-L667 HydrophobicContact CB-CD1 4.15Å; M658-L667 HydrophobicContact CG-CD1 4.35Å; M658-H821 HydrophobicContact CE-CB 4.19Å; M658-V834 HydrophobicContact SD-CG1 4Å
659D65.4Low63.2Low61 Ų6187 Ų8733%0.32649%0.49SS..  trans-109.7123.8172.9-158.6-13.4000109.4E661D659-E661 HydrophobicContact CB-CG 4.46Å; D659-E661 PolarHBondContact O-N 2.7Å; D659-E661 VanDerWaalsContact O-N 3.16Å
660C70.4Confident65.4Low12 Ų1281 Ų818%0.08146%0.462CS..  trans-89.661.4-179.7-72.60000109.7F644 C669F644-C660 HydrophobicContact CE1-CB 4.39Å; C660-C669 HydrophobicContact CB-CB 3.71Å; C660-C669 WeakPolarHBondContact CB-SG 3.23Å; C660-C669 WeakPolarHBondContact SG-CB 3.44Å; C660-C669 CovalentContact SG-SG 2.03Å; C660-C669 PolarHBondContact SG-SG 2.69Å
661E72.3Confident67.6Low121 Ų12178.1 Ų78.157%0.56544%0.443SS*.  trans-62.8152175.6-67.5-167164.100111D659 N663 S664 N682D659-E661 HydrophobicContact CB-CG 4.46Å; D659-E661 PolarHBondContact O-N 2.7Å; D659-E661 VanDerWaalsContact O-N 3.16Å; E661-N663 PolarHBondContact O-N 3.14Å; E661-S664 PolarHBondContact O-N 2.77Å; E661-N682 PolarHBondContact O-ND2 3.02Å
662A70.6Confident69.8Low44 Ų4475.7 Ų75.736%0.36442%0.417SS..THydrogen-bonded Turntrans-66.6127.5177.700000109.7K645 S664K645-A662 HydrophobicContact CD-CB 4.11Å; K645-A662 HydrophobicContact CG-CB 4.45Å; A662-S664 VanDerWaalsContact C-N 3.32Å; A662-S664 PolarHBondContact O-N 3.46Å
663N74.9Confident72Confident68 Ų6869.1 Ų69.136%0.36437%0.374SS..THydrogen-bonded Turntrans53.643.7-172.8-63-7.8000113.6E661 N682 Q683 K684E661-N663 PolarHBondContact O-N 3.14Å; N663-N682 PolarHBondContact N-O 2.92Å; N663-Q683 WeakPolarHBondContact OD1-CA 3.49Å; N663-K684 WeakPolarHBondContact OD1-CG 3.01Å; N663-K684 PolarHBondContact OD1-N 2.67Å
664S77.8Confident74.2Confident20 Ų2062.1 Ų62.114%0.1434%0.337CS..  trans-61.6138.1169.9177.50000110.6E661 A662 D666 L667 Q683E661-S664 PolarHBondContact O-N 2.77Å; A662-S664 VanDerWaalsContact C-N 3.32Å; A662-S664 PolarHBondContact O-N 3.46Å; S664-D666 VanDerWaalsContact C-N 3.34Å; S664-D666 PolarHBondContact OG-N 2.75Å; S664-L667 PolarHBondContact OG-N 3.21Å; S664-Q683 PolarHBondContact O-NE2 3.45Å
665D75.1Confident76.3Confident129 Ų12951.9 Ų51.969%0.6930%0.299SS*.SBendtrans-77.4-23.2176.4-74-40.7000112.6K837D665-K837 WeakPolarHBondContact O-CD 3.43Å
666D80.1Confident78.7Confident125 Ų12547.6 Ų47.667%0.66826%0.255SS*.SBendtrans-100.4-38.6-170.6-61.6-40.7000113S664 K837S664-D666 VanDerWaalsContact C-N 3.34Å; S664-D666 PolarHBondContact OG-N 2.75Å; D666-K837 PolarHBondContact O-N 2.74Å
667L84.9Confident80.7Confident24 Ų2445.1 Ų45.113%0.12624%0.236CC..EExtended strand (participates in β ladder)trans-121.2134.5-172.5-63.7176.7000112.9M658 S664 N682 V834 E836M658-L667 HydrophobicContact CB-CD1 4.15Å; M658-L667 HydrophobicContact CG-CD1 4.35Å; S664-L667 PolarHBondContact OG-N 3.21Å; L667-N682 PolarHBondContact O-ND2 2.95Å; L667-V834 HydrophobicContact CD1-CG1 4.46Å; L667-V834 HydrophobicContact CD2-CG1 4.33Å; L667-E836 HydrophobicContact CD2-CG 3.94Å
668L87.6Confident82.7Confident16 Ų1635.6 Ų35.68%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-103.3124.2171.1-59.1175.1000108.9Y670 Q683 V834 A835 K837L668-Y670 HydrophobicContact CB-CD2 4.41Å; L668-Y670 HydrophobicContact CB-CE2 3.66Å; L668-Y670 HydrophobicContact CD1-CE2 4.3Å; L668-Q683 HydrophobicContact CD2-CG 3.61Å; L668-V834 CarbonylContact O-C 3.55Å; L668-V834 WeakPolarHBondContact O-CA 3.41Å; L668-A835 PolarHBondContact N-O 3.17Å; L668-A835 PolarHBondContact O-N 2.91Å; L668-K837 HydrophobicContact CD1-CB 4.48Å; L668-K837 HydrophobicContact CD1-CG 4.4Å; L668-K837 HydrophobicContact CG-CB 4.38Å
669C88.8Confident84.4Confident0 Ų031.5 Ų31.50%017%0.171CC..EExtended strand (participates in β ladder)trans-121.8115.5-178.4-55.80000110C660 S681 N682 F832 V833C660-C669 HydrophobicContact CB-CB 3.71Å; C660-C669 WeakPolarHBondContact CB-SG 3.23Å; C660-C669 WeakPolarHBondContact SG-CB 3.44Å; C660-C669 CovalentContact SG-SG 2.03Å; C660-C669 PolarHBondContact SG-SG 2.69Å; C669-S681 WeakPolarHBondContact O-CA 3.25Å; C669-N682 HydrophobicContact CB-CB 4.13Å; C669-N682 PolarHBondContact N-OD1 3.42Å; C669-N682 PolarHBondContact O-N 2.96Å; C669-N682 VanDerWaalsContact O-N 3.08Å; C669-F832 HydrophobicContact CB-CE2 4.21Å; C669-F832 HydrophobicContact CB-CZ 4.47Å; C669-V833 WeakPolarHBondContact CA-O 3.4Å
670Y91.1Very high85.5Confident9 Ų928.6 Ų28.64%0.03516%0.156CC..EExtended strand (participates in β ladder)trans-116.3142.2-175.6-62.7-66000111.3L668 L678 S681 D686 L701 F832 V833L668-Y670 HydrophobicContact CB-CD2 4.41Å; L668-Y670 HydrophobicContact CB-CE2 3.66Å; L668-Y670 HydrophobicContact CD1-CE2 4.3Å; Y670-L678 HydrophobicContact CD1-CD1 3.62Å; Y670-L678 HydrophobicContact CE1-CD1 4.36Å; Y670-L678 HydrophobicContact CG-CD1 4.42Å; Y670-S681 VanDerWaalsContact CE1-OG 3.31Å; Y670-S681 WeakPolarHBondContact CE1-OG 3Å; Y670-D686 VanDerWaalsContact CE1-OD2 3.27Å; Y670-D686 WeakPolarHBondContact CE1-OD2 3.37Å; Y670-D686 PolarHBondContact OH-OD2 2.82Å; Y670-L701 HydrophobicContact CD2-CD2 3.57Å; Y670-L701 HydrophobicContact CE2-CD2 3.85Å; Y670-F832 WeakPolarHBondContact O-CD2 3.15Å; Y670-V833 PolarHBondContact N-O 2.81Å; Y670-V833 PolarHBondContact O-N 3.18Å
671L91.7Very high86.3Confident4 Ų428.1 Ų28.12%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-112.2118.3164.9-165.566.9000108.1W640 I679 M680 I825 L830 F832W640-L671 HydrophobicContact CH2-CD2 3.25Å; W640-L671 HydrophobicContact CZ2-CD2 3.96Å; W640-L671 HydrophobicContact CZ3-CD2 3.84Å; L671-I679 HydrophobicContact CD2-CG2 4.32Å; L671-I679 WeakPolarHBondContact O-CB 3.34Å; L671-I679 PolarHBondContact O-N 3.24Å; L671-M680 HydrophobicContact CB-CB 4.08Å; L671-M680 HydrophobicContact CB-CE 4.09Å; L671-M680 HydrophobicContact CD2-CE 4.1Å; L671-M680 PolarHBondContact N-O 2.99Å; L671-M680 PolarHBondContact O-N 3.06Å; L671-I825 HydrophobicContact CD1-CD1 3.71Å; L671-L830 HydrophobicContact CD1-CB 4.07Å; L671-L830 HydrophobicContact CD1-CD1 4.27Å; L671-L830 HydrophobicContact CD2-CD1 3.96Å; L671-L830 HydrophobicContact CG-CB 4.5Å; L671-L830 HydrophobicContact CG-CD1 4.24Å; L671-L830 HydrophobicContact CG-CD2 4.21Å; L671-F832 HydrophobicContact CD1-CB 4.3Å; L671-F832 HydrophobicContact CD1-CD2 4.49Å
672I93.6Very high87Confident0 Ų022.6 Ų22.60%013%0.127CC..EExtended strand (participates in β ladder)trans-124141.5-170.5-55150.2000107.9F677 L694 L705 Y711 L830 L831 V833I672-F677 WeakPolarHBondContact CA-O 3.46Å; I672-F677 WeakPolarHBondContact CG2-O 3.31Å; I672-L694 HydrophobicContact CD1-CD1 4.3Å; I672-L694 HydrophobicContact CD1-CD2 3.48Å; I672-L694 VanDerWaalsContact CD1-CD2 3.48Å; I672-L694 HydrophobicContact CD1-CG 4.48Å; I672-L694 HydrophobicContact CG1-CD1 4.46Å; I672-L694 HydrophobicContact CG1-CD2 4.19Å; I672-L705 HydrophobicContact CD1-CD1 4.41Å; I672-Y711 VanDerWaalsContact CG2-OH 3.24Å; I672-Y711 WeakPolarHBondContact CG2-OH 3.3Å; I672-L830 WeakPolarHBondContact O-CA 3.21Å; I672-L831 PolarHBondContact N-O 2.8Å; I672-L831 PolarHBondContact O-N 3.33Å; I672-V833 HydrophobicContact CD1-CB 4.13Å; I672-V833 HydrophobicContact CD1-CG2 3.71Å
673D93.8Very high87.6Confident0 Ų021.5 Ų21.50%012%0.115CC..  trans-84.2179.5174.673.610.5000112.8Y405 G675 G676 F677 I679 Y711 N829 L830Y405-D673 WeakPolarHBondContact CE1-OD2 2.89Å; Y405-D673 VanDerWaalsContact CZ-OD2 3.28Å; Y405-D673 PolarHBondContact OH-OD2 3.42Å; D673-G675 PolarHBondContact O-N 3.13Å; D673-G675 WeakPolarHBondContact OD1-CA 3.1Å; D673-G675 PolarHBondContact OD1-N 3.33Å; D673-G676 PolarHBondContact O-N 2.95Å; D673-G676 VanDerWaalsContact O-N 3.09Å; D673-G676 PolarHBondContact OD1-N 3.09Å; D673-F677 PolarHBondContact N-O 2.97Å; D673-F677 VanDerWaalsContact N-O 3.08Å; D673-F677 PolarHBondContact OD1-N 3.32Å; D673-I679 HydrophobicContact CB-CD1 4.15Å; D673-I679 HydrophobicContact CB-CG1 3.98Å; D673-Y711 PolarHBondContact O-OH 3.24Å; D673-N829 CarbonylContact C-O 3.59Å; D673-L830 HydrophobicContact CB-CD2 4.47Å
674D92.4Very high87.9Confident13 Ų1323.6 Ų23.67%0.0712%0.12CC..THydrogen-bonded Turntrans-68.4-17.8-179.562.6-45.1000114.8R581 G676 Y711 Y799 F800 N829R581-D674 IonicContact CZ-OD1 2.64Å; R581-D674 IonicContact CZ-OD2 3.4Å; R581-D674 IonicContact NH1-OD1 3.77Å; R581-D674 IonicContact NH2-OD1 2.72Å; R581-D674 PolarHBondContact NH2-OD1 2.94Å; R581-D674 IonicContact NH2-OD2 3.14Å; R581-D674 PolarHBondContact NH2-OD2 2.73Å; D674-G676 VanDerWaalsContact C-N 3.35Å; D674-Y711 WeakPolarHBondContact O-CE1 3.47Å; D674-Y799 VanDerWaalsContact O-CA 3.32Å; D674-Y799 WeakPolarHBondContact O-CA 3.49Å; D674-F800 VanDerWaalsContact CA-CZ 3.48Å; D674-F800 HydrophobicContact CB-CD2 3.44Å; D674-F800 VanDerWaalsContact CB-CD2 3.44Å; D674-F800 HydrophobicContact CB-CE1 4.47Å; D674-F800 HydrophobicContact CB-CE2 3.39Å; D674-F800 HydrophobicContact CB-CG 4.04Å; D674-F800 HydrophobicContact CB-CZ 3.92Å; D674-N829 HydrophobicContact CB-CB 4.16Å; D674-N829 PolarHBondContact N-O 3.39Å; D674-N829 VanDerWaalsContact N-O 3.12Å; D674-N829 PolarHBondContact OD1-ND2 2.94Å
675G91.8Very high88.1Confident0 Ų028.9 Ų28.90%015%0.147CC..THydrogen-bonded Turntrans-84.4-8.217200000113.6D673 Q850D673-G675 PolarHBondContact O-N 3.13Å; D673-G675 WeakPolarHBondContact OD1-CA 3.1Å; D673-G675 PolarHBondContact OD1-N 3.33Å; G675-Q850 PolarHBondContact O-OE1 2.93Å
676G92.6Very high88.5Confident0 Ų024 Ų240%012%0.121CC..SBendtrans82.519.1-174.100000113.4D673 D674 F693 L694D673-G676 PolarHBondContact O-N 2.95Å; D673-G676 VanDerWaalsContact O-N 3.09Å; D673-G676 PolarHBondContact OD1-N 3.09Å; D674-G676 VanDerWaalsContact C-N 3.35Å; G676-F693 WeakPolarHBondContact O-CD2 3.49Å; G676-L694 VanDerWaalsContact O-CB 3.25Å; G676-L694 WeakPolarHBondContact O-CB 3.48Å; G676-L694 PolarHBondContact O-N 2.98Å
677F93.1Very high88.6Confident15 Ų1520.7 Ų20.77%0.06610%0.099CC..BIsolated β-bridgetrans-87.8141.8174.6-63.3-85.4000111.3R404 Y405 A592 I672 D673 I679 G691 F693R404-F677 HydrophobicContact CB-CE2 3.76Å; R404-F677 HydrophobicContact CB-CZ 3.79Å; R404-F677 HydrophobicContact CG-CE2 4.37Å; R404-F677 HydrophobicContact CG-CZ 3.93Å; Y405-F677 AromaticContact CE1-CD2 3.8Å; Y405-F677 HydrophobicContact CE1-CD2 3.8Å; Y405-F677 HydrophobicContact CE1-CE2 4.08Å; A592-F677 HydrophobicContact CB-CB 3.58Å; A592-F677 HydrophobicContact CB-CG 4.18Å; I672-F677 WeakPolarHBondContact CA-O 3.46Å; I672-F677 WeakPolarHBondContact CG2-O 3.31Å; D673-F677 PolarHBondContact N-O 2.97Å; D673-F677 VanDerWaalsContact N-O 3.08Å; D673-F677 PolarHBondContact OD1-N 3.32Å; F677-I679 PolarHBondContact O-N 3.07Å; F677-G691 WeakPolarHBondContact CD1-O 3.21Å; F677-F693 HydrophobicContact CD1-CB 4.39Å; F677-F693 HydrophobicContact CE1-CB 4.26Å
678L92.2Very high88.5Confident0 Ų022.4 Ų22.40%011%0.113CC..EExtended strand (participates in β ladder)trans-72.4119.3177.2-179.764000110.1Y670 M680 D686 E689 V690 G691 K692 V697Y670-L678 HydrophobicContact CD1-CD1 3.62Å; Y670-L678 HydrophobicContact CE1-CD1 4.36Å; Y670-L678 HydrophobicContact CG-CD1 4.42Å; L678-M680 WeakPolarHBondContact CD1-O 3.45Å; L678-D686 HydrophobicContact CD2-CB 4.32Å; L678-E689 HydrophobicContact CD2-CB 4.37Å; L678-V690 HydrophobicContact CD2-CG2 4.42Å; L678-V690 HydrophobicContact CG-CG2 4.48Å; L678-G691 PolarHBondContact O-N 2.04Å; L678-K692 PolarHBondContact N-O 3.12Å; L678-V697 HydrophobicContact CD2-CG1 4.37Å; L678-V697 HydrophobicContact CD2-CG2 4.3Å
679I91.4Very high88.3Confident0 Ų023.9 Ų23.90%012%0.12CC..EExtended strand (participates in β ladder)trans-95-40.3175.4-61.3-63.5000110.7A592 I611 W640 L671 D673 F677 V690 L830A592-I679 HydrophobicContact CB-CD1 3.61Å; I611-I679 HydrophobicContact CD1-CG2 3.77Å; I611-I679 WeakPolarHBondContact CD1-O 3.37Å; I611-I679 HydrophobicContact CG1-CG2 4.43Å; I611-I679 HydrophobicContact CG2-CG2 4.16Å; W640-I679 HydrophobicContact CH2-CG2 4.2Å; W640-I679 HydrophobicContact CZ3-CG2 3.75Å; L671-I679 HydrophobicContact CD2-CG2 4.32Å; L671-I679 WeakPolarHBondContact O-CB 3.34Å; L671-I679 PolarHBondContact O-N 3.24Å; D673-I679 HydrophobicContact CB-CD1 4.15Å; D673-I679 HydrophobicContact CB-CG1 3.98Å; F677-I679 PolarHBondContact O-N 3.07Å; I679-V690 VanDerWaalsContact O-CG1 3.28Å; I679-V690 WeakPolarHBondContact O-CG1 3.43Å; I679-L830 HydrophobicContact CG1-CD2 4.02Å
680M89Confident88.3Confident1 Ų123.9 Ų23.91%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-158.3148.1-178.2-179.6-171.172.800110.6L637 W640 F644 L671 L678L637-M680 HydrophobicContact CD1-CB 4.47Å; L637-M680 HydrophobicContact CD1-CG 4.45Å; W640-M680 HydrophobicContact CE3-SD 4.12Å; W640-M680 HydrophobicContact CZ3-CB 4.44Å; W640-M680 HydrophobicContact CZ3-SD 4.41Å; F644-M680 HydrophobicContact CB-CE 3.81Å; F644-M680 HydrophobicContact CB-SD 3.89Å; F644-M680 HydrophobicContact CD1-CE 3.45Å; F644-M680 VanDerWaalsContact CD1-CE 3.45Å; F644-M680 HydrophobicContact CD1-SD 4.34Å; F644-M680 HydrophobicContact CD2-CE 3.34Å; F644-M680 HydrophobicContact CD2-SD 4.46Å; F644-M680 HydrophobicContact CE1-CE 3.81Å; F644-M680 HydrophobicContact CE2-CE 3.71Å; F644-M680 HydrophobicContact CG-CE 3.2Å; F644-M680 HydrophobicContact CG-SD 3.97Å; F644-M680 HydrophobicContact CZ-CE 3.94Å; L671-M680 HydrophobicContact CB-CB 4.08Å; L671-M680 HydrophobicContact CB-CE 4.09Å; L671-M680 HydrophobicContact CD2-CE 4.1Å; L671-M680 PolarHBondContact N-O 2.99Å; L671-M680 PolarHBondContact O-N 3.06Å; L678-M680 WeakPolarHBondContact CD1-O 3.45Å
681S88.5Confident88.1Confident1 Ų123.7 Ų23.71%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-133.1150.7174.5179.90000111C669 Y670 Q683 D686 W687C669-S681 WeakPolarHBondContact O-CA 3.25Å; Y670-S681 VanDerWaalsContact CE1-OG 3.31Å; Y670-S681 WeakPolarHBondContact CE1-OG 3Å; S681-Q683 VanDerWaalsContact C-N 3.3Å; S681-Q683 PolarHBondContact OG-N 2.96Å; S681-D686 VanDerWaalsContact CB-CB 3.48Å; S681-D686 WeakPolarHBondContact OG-CB 3.43Å; S681-D686 PolarHBondContact OG-OD2 2.9Å; S681-W687 PolarHBondContact O-NE1 2.8Å; S681-W687 VanDerWaalsContact O-NE1 3.14Å
682N85.7Confident88Confident6 Ų626.8 Ų26.83%0.03213%0.134CC..SBendtrans-74.2-19.517172.9-36.2000113.5E661 N663 L667 C669E661-N682 PolarHBondContact O-ND2 3.02Å; N663-N682 PolarHBondContact N-O 2.92Å; L667-N682 PolarHBondContact O-ND2 2.95Å; C669-N682 HydrophobicContact CB-CB 4.13Å; C669-N682 PolarHBondContact N-OD1 3.42Å; C669-N682 PolarHBondContact O-N 2.96Å; C669-N682 VanDerWaalsContact O-N 3.08Å
683Q83.7Confident87.9Confident21 Ų2127.2 Ų27.210%0.09814%0.135CC..SBendtrans-87.5129.9177.5-59.4-61.5-35.300110.5N663 S664 L668 S681 D685 D686 W687N663-Q683 WeakPolarHBondContact OD1-CA 3.49Å; S664-Q683 PolarHBondContact O-NE2 3.45Å; L668-Q683 HydrophobicContact CD2-CG 3.61Å; S681-Q683 VanDerWaalsContact C-N 3.3Å; S681-Q683 PolarHBondContact OG-N 2.96Å; Q683-D685 VanDerWaalsContact C-N 3.27Å; Q683-D685 PolarHBondContact O-N 3.07Å; Q683-D686 HydrophobicContact CB-CB 4.44Å; Q683-D686 PolarHBondContact O-N 3.03Å; Q683-W687 PolarHBondContact O-NE1 3.48Å
684K81.3Confident87.7Confident112 Ų11227.2 Ų27.249%0.48714%0.135SC..G310 helixtrans-63.8-32.2178.1-73-174.8-177.1-175.50113.2N663 D686 W687N663-K684 WeakPolarHBondContact OD1-CG 3.01Å; N663-K684 PolarHBondContact OD1-N 2.67Å; K684-D686 PolarHBondContact O-N 2.88Å; K684-W687 HydrophobicContact CB-CD2 4.45Å; K684-W687 HydrophobicContact CG-CD2 4.31Å; K684-W687 HydrophobicContact CG-CE3 4.41Å; K684-W687 HydrophobicContact CG-CH2 3.97Å; K684-W687 HydrophobicContact CG-CZ2 3.82Å; K684-W687 HydrophobicContact CG-CZ3 4.26Å; K684-W687 VanDerWaalsContact O-CB 3.29Å; K684-W687 WeakPolarHBondContact O-CB 3.47Å; K684-W687 PolarHBondContact O-N 2.86Å; K684-W687 VanDerWaalsContact O-N 3.1Å
685D82.1Confident87.5Confident131 Ų13126.7 Ų26.770%0.70113%0.133SC*.G310 helixtrans-65.5-28.6179.9-61.5-22.9000111.5Q683 W687 S688Q683-D685 VanDerWaalsContact C-N 3.27Å; Q683-D685 PolarHBondContact O-N 3.07Å; D685-W687 VanDerWaalsContact C-N 3.3Å; D685-W687 PolarHBondContact O-N 3.43Å; D685-S688 PolarHBondContact O-OG 2.85Å
686D82.6Confident87.3Confident26 Ų2630.5 Ų30.514%0.13916%0.156CC..G310 helixtrans-81.3-7.7177.4-64.3-22.8000112.8Y670 L678 S681 Q683 K684 S688 E689 V690Y670-D686 VanDerWaalsContact CE1-OD2 3.27Å; Y670-D686 WeakPolarHBondContact CE1-OD2 3.37Å; Y670-D686 PolarHBondContact OH-OD2 2.82Å; L678-D686 HydrophobicContact CD2-CB 4.32Å; S681-D686 VanDerWaalsContact CB-CB 3.48Å; S681-D686 WeakPolarHBondContact OG-CB 3.43Å; S681-D686 PolarHBondContact OG-OD2 2.9Å; Q683-D686 HydrophobicContact CB-CB 4.44Å; Q683-D686 PolarHBondContact O-N 3.03Å; K684-D686 PolarHBondContact O-N 2.88Å; D686-S688 VanDerWaalsContact C-N 3.26Å; D686-S688 PolarHBondContact O-N 3.43Å; D686-E689 CarbonylContact O-C 3.44Å; D686-E689 WeakPolarHBondContact O-CA 3.33Å; D686-E689 WeakPolarHBondContact O-CB 3.46Å; D686-E689 PolarHBondContact O-N 3.06Å; D686-V690 PolarHBondContact O-N 3.33Å
687W82.6Confident87.1Confident55 Ų5532 Ų3221%0.20817%0.165CC..G310 helixtrans-66.7-30.9-179.1-66.34000111.8R595 T641 S681 Q683 K684 D685 E689R595-W687 PolarHBondContact NH2-O 3.26Å; T641-W687 HydrophobicContact CG2-CZ2 3.8Å; S681-W687 PolarHBondContact O-NE1 2.8Å; S681-W687 VanDerWaalsContact O-NE1 3.14Å; Q683-W687 PolarHBondContact O-NE1 3.48Å; K684-W687 HydrophobicContact CB-CD2 4.45Å; K684-W687 HydrophobicContact CG-CD2 4.31Å; K684-W687 HydrophobicContact CG-CE3 4.41Å; K684-W687 HydrophobicContact CG-CH2 3.97Å; K684-W687 HydrophobicContact CG-CZ2 3.82Å; K684-W687 HydrophobicContact CG-CZ3 4.26Å; K684-W687 VanDerWaalsContact O-CB 3.29Å; K684-W687 WeakPolarHBondContact O-CB 3.47Å; K684-W687 PolarHBondContact O-N 2.86Å; K684-W687 VanDerWaalsContact O-N 3.1Å; D685-W687 VanDerWaalsContact C-N 3.3Å; D685-W687 PolarHBondContact O-N 3.43Å; W687-E689 PolarHBondContact O-N 3.34Å
688S82.3Confident86.9Confident61 Ų6132 Ų3243%0.42717%0.166SC..G310 helixtrans-72.9-12.4169.759.20000113.2R595 D685 D686R595-S688 PolarHBondContact NE-O 2.97Å; R595-S688 PolarHBondContact NH1-O 3.42Å; R595-S688 PolarHBondContact NH2-O 3.15Å; D685-S688 PolarHBondContact O-OG 2.85Å; D686-S688 VanDerWaalsContact C-N 3.26Å; D686-S688 PolarHBondContact O-N 3.43Å
689E85Confident86.8Confident46 Ų4634.3 Ų34.322%0.21518%0.181CC..G310 helixtrans-100.5-5.7-179.4-54.9-61.3112.500112.4L678 D686 W687 G691 K692 V697L678-E689 HydrophobicContact CD2-CB 4.37Å; D686-E689 CarbonylContact O-C 3.44Å; D686-E689 WeakPolarHBondContact O-CA 3.33Å; D686-E689 WeakPolarHBondContact O-CB 3.46Å; D686-E689 PolarHBondContact O-N 3.06Å; W687-E689 PolarHBondContact O-N 3.34Å; E689-G691 PolarHBondContact O-N 3.25Å; E689-K692 VanDerWaalsContact O-CB 3.27Å; E689-K692 WeakPolarHBondContact O-CB 3.46Å; E689-K692 WeakPolarHBondContact O-CG 3.42Å; E689-K692 PolarHBondContact O-N 3.18Å; E689-K692 IonicContact OE1-NZ 2.78Å; E689-K692 PolarHBondContact OE1-NZ 3.17Å; E689-K692 WeakPolarHBondContact OE2-CD 3.18Å; E689-K692 WeakPolarHBondContact OE2-CE 3.29Å; E689-K692 IonicContact OE2-NZ 3.56Å; E689-K692 PolarHBondContact OE2-NZ 2.97Å; E689-V697 HydrophobicContact CB-CG2 3.87Å
690V87.5Confident86.7Confident0 Ų035.5 Ų35.50%019%0.187CC..THydrogen-bonded Turntrans-56.4128.4174.8172.40000110.6P593 R595 V609 L637 L678 I679 D686P593-V690 HydrophobicContact CG-CG1 4.04Å; R595-V690 WeakPolarHBondContact CD-O 3.44Å; R595-V690 PolarHBondContact NE-O 3.5Å; V609-V690 HydrophobicContact CG1-CG1 4.38Å; L637-V690 HydrophobicContact CD1-CG2 4.48Å; L637-V690 HydrophobicContact CD2-CB 4.43Å; L637-V690 HydrophobicContact CD2-CG1 4.43Å; L637-V690 HydrophobicContact CD2-CG2 4.11Å; L678-V690 HydrophobicContact CD2-CG2 4.42Å; L678-V690 HydrophobicContact CG-CG2 4.48Å; I679-V690 VanDerWaalsContact O-CG1 3.28Å; I679-V690 WeakPolarHBondContact O-CG1 3.43Å; D686-V690 PolarHBondContact O-N 3.33Å
691G87.6Confident86.7Confident5 Ų535.4 Ų35.45%0.05219%0.187CC..THydrogen-bonded Turntrans97.6-14.5-173.200000114.4P593 F677 L678 E689P593-G691 WeakPolarHBondContact O-CA 3.37Å; F677-G691 WeakPolarHBondContact CD1-O 3.21Å; L678-G691 PolarHBondContact O-N 2.04Å; E689-G691 PolarHBondContact O-N 3.25Å
692K88.9Confident86.8Confident70 Ų7035.4 Ų35.430%0.30419%0.187SC..SBendtrans-83.7158.6174.1-60.4-174.5-168.3171.70111.6L678 E689 V697L678-K692 PolarHBondContact N-O 3.12Å; E689-K692 VanDerWaalsContact O-CB 3.27Å; E689-K692 WeakPolarHBondContact O-CB 3.46Å; E689-K692 WeakPolarHBondContact O-CG 3.42Å; E689-K692 PolarHBondContact O-N 3.18Å; E689-K692 IonicContact OE1-NZ 2.78Å; E689-K692 PolarHBondContact OE1-NZ 3.17Å; E689-K692 WeakPolarHBondContact OE2-CD 3.18Å; E689-K692 WeakPolarHBondContact OE2-CE 3.29Å; E689-K692 IonicContact OE2-NZ 3.56Å; E689-K692 PolarHBondContact OE2-NZ 2.97Å; K692-V697 HydrophobicContact CB-CG2 4.44Å
693F91.4Very high87.1Confident8 Ų838.2 Ų38.24%0.03520%0.197CC..BIsolated β-bridgetrans-68135.3176.5-177.8-112000110.6G676 F677 G695 V696 M702 Y798 L848 Q850G676-F693 WeakPolarHBondContact O-CD2 3.49Å; F677-F693 HydrophobicContact CD1-CB 4.39Å; F677-F693 HydrophobicContact CE1-CB 4.26Å; F693-G695 PolarHBondContact O-N 2.86Å; F693-G695 VanDerWaalsContact O-N 3.13Å; F693-V696 WeakPolarHBondContact O-CB 3.45Å; F693-V696 PolarHBondContact O-N 3.49Å; F693-M702 HydrophobicContact CE1-CG 4.07Å; F693-M702 HydrophobicContact CE2-CE 3.74Å; F693-M702 HydrophobicContact CZ-CE 3.46Å; F693-M702 VanDerWaalsContact CZ-CE 3.46Å; F693-M702 HydrophobicContact CZ-CG 3.86Å; F693-M702 HydrophobicContact CZ-SD 4.27Å; F693-Y798 HydrophobicContact CE1-CE2 4.09Å; F693-Y798 AromaticContact CE2-CD2 3.48Å; F693-Y798 HydrophobicContact CE2-CD2 3.48Å; F693-Y798 VanDerWaalsContact CE2-CD2 3.48Å; F693-Y798 AromaticContact CE2-CE2 3.78Å; F693-Y798 HydrophobicContact CE2-CE2 3.78Å; F693-Y798 HydrophobicContact CE2-CG 4.18Å; F693-Y798 AromaticContact CZ-CD2 3.48Å; F693-Y798 HydrophobicContact CZ-CD2 3.48Å; F693-Y798 VanDerWaalsContact CZ-CD2 3.48Å; F693-Y798 AromaticContact CZ-CE2 3.29Å; F693-Y798 HydrophobicContact CZ-CE2 3.29Å; F693-Y798 HydrophobicContact CZ-CG 4.19Å; F693-Y798 AromaticContact CZ-CZ 3.86Å; F693-L848 VanDerWaalsContact CE1-O 3.23Å; F693-L848 WeakPolarHBondContact CE1-O 3.43Å; F693-Q850 HydrophobicContact CB-CB 4.22Å; F693-Q850 HydrophobicContact CD1-CB 3.93Å; F693-Q850 HydrophobicContact CD2-CB 3.71Å; F693-Q850 HydrophobicContact CD2-CG 4.45Å; F693-Q850 HydrophobicContact CE1-CB 4.19Å; F693-Q850 HydrophobicContact CE2-CB 3.98Å; F693-Q850 HydrophobicContact CG-CB 3.67Å; F693-Q850 HydrophobicContact CZ-CB 4.21Å
694L91.2Very high87.3Confident0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-58.3-31.3-176.6-175.368.9000112.6I672 G676 V696 V697 D698 L701 M702 L705I672-L694 HydrophobicContact CD1-CD1 4.3Å; I672-L694 HydrophobicContact CD1-CD2 3.48Å; I672-L694 VanDerWaalsContact CD1-CD2 3.48Å; I672-L694 HydrophobicContact CD1-CG 4.48Å; I672-L694 HydrophobicContact CG1-CD1 4.46Å; I672-L694 HydrophobicContact CG1-CD2 4.19Å; G676-L694 VanDerWaalsContact O-CB 3.25Å; G676-L694 WeakPolarHBondContact O-CB 3.48Å; G676-L694 PolarHBondContact O-N 2.98Å; L694-V696 PolarHBondContact O-N 3.46Å; L694-V696 VanDerWaalsContact O-N 3.15Å; L694-V697 PolarHBondContact O-N 3.03Å; L694-V697 VanDerWaalsContact O-N 3.07Å; L694-D698 CarbonylContact O-C 3.59Å; L694-D698 VanDerWaalsContact O-C 3.31Å; L694-D698 PolarHBondContact O-N 2.66Å; L694-L701 HydrophobicContact CD2-CD2 4.31Å; L694-L701 HydrophobicContact CD2-CG 4.31Å; L694-M702 HydrophobicContact CB-CB 4.38Å; L694-M702 HydrophobicContact CB-SD 4.32Å; L694-M702 HydrophobicContact CD2-CB 4.17Å; L694-M702 HydrophobicContact CD2-SD 4.04Å; L694-M702 HydrophobicContact CG-CB 4.2Å; L694-L705 HydrophobicContact CD2-CD1 4.01Å
695G88Confident87.8Confident2 Ų232.1 Ų32.12%0.02117%0.172CC..Hα-helixtrans-62.2-17.6175.600000114.5F693 P699F693-G695 PolarHBondContact O-N 2.86Å; F693-G695 VanDerWaalsContact O-N 3.13Å; G695-P699 WeakPolarHBondContact O-CA 3.33Å; G695-P699 WeakPolarHBondContact O-CB 3.31Å; G695-P699 WeakPolarHBondContact O-CG 3.49Å
696V87.5Confident88.1Confident80 Ų8028.9 Ų28.949%0.48515%0.15SC..Hα-helixtrans-88.3-34.7172.8-178.80000111.3F693 L694F693-V696 WeakPolarHBondContact O-CB 3.45Å; F693-V696 PolarHBondContact O-N 3.49Å; L694-V696 PolarHBondContact O-N 3.46Å; L694-V696 VanDerWaalsContact O-N 3.15Å
697V87.8Confident88.5Confident32 Ų3232.7 Ų32.719%0.19417%0.17CC..Hα-helixtrans-80.3-55.2-177.3-175.20000111.2L678 E689 K692 L694L678-V697 HydrophobicContact CD2-CG1 4.37Å; L678-V697 HydrophobicContact CD2-CG2 4.3Å; E689-V697 HydrophobicContact CB-CG2 3.87Å; K692-V697 HydrophobicContact CB-CG2 4.44Å; L694-V697 PolarHBondContact O-N 3.03Å; L694-V697 VanDerWaalsContact O-N 3.07Å
698D89.4Confident88.7Confident16 Ų1633.4 Ų33.49%0.08618%0.178CC..  trans-133.387.9172.4-173.4-23.3000109.4L694 N700 L701 M702 R818L694-D698 CarbonylContact O-C 3.59Å; L694-D698 VanDerWaalsContact O-C 3.31Å; L694-D698 PolarHBondContact O-N 2.66Å; D698-N700 PolarHBondContact O-N 3.43Å; D698-N700 WeakPolarHBondContact OD1-CB 3.49Å; D698-N700 PolarHBondContact OD1-N 2.94Å; D698-N700 VanDerWaalsContact OD1-N 3.16Å; D698-L701 HydrophobicContact CB-CB 3.88Å; D698-L701 PolarHBondContact O-N 2.9Å; D698-L701 VanDerWaalsContact O-N 3.14Å; D698-L701 WeakPolarHBondContact OD1-CB 3.29Å; D698-L701 PolarHBondContact OD1-N 3.19Å; D698-L701 WeakPolarHBondContact OD2-CB 3.5Å; D698-M702 PolarHBondContact O-N 3.44Å; D698-M702 VanDerWaalsContact O-N 3.15Å; D698-R818 IonicContact OD1-CZ 3.5Å; D698-R818 IonicContact OD1-NH1 3.35Å; D698-R818 IonicContact OD1-NH2 3.84Å; D698-R818 PolarHBondContact OD1-NH2 2.79Å; D698-R818 IonicContact OD2-CZ 3.57Å; D698-R818 IonicContact OD2-NH1 2.85Å; D698-R818 PolarHBondContact OD2-NH1 3.06Å; D698-R818 IonicContact OD2-NH2 2.88Å; D698-R818 PolarHBondContact OD2-NH2 2.91Å
699P89.1Confident89Confident48 Ų4833.5 Ų33.531%0.31218%0.179SC..Hα-helixtrans-57-38.3179.3-17.723.7000112.5G695 L701 M702 Y703 I845G695-P699 WeakPolarHBondContact O-CA 3.33Å; G695-P699 WeakPolarHBondContact O-CB 3.31Å; G695-P699 WeakPolarHBondContact O-CG 3.49Å; P699-L701 VanDerWaalsContact C-N 3.31Å; P699-L701 PolarHBondContact O-N 3.48Å; P699-M702 PolarHBondContact O-N 3.48Å; P699-Y703 WeakPolarHBondContact O-CB 3.5Å; P699-Y703 PolarHBondContact O-N 3.19Å; P699-I845 VanDerWaalsContact C-CD1 3.48Å; P699-I845 HydrophobicContact CB-CD1 3.87Å; P699-I845 WeakPolarHBondContact O-CD1 3.44Å
700N88.6Confident89.1Confident24 Ų2431.3 Ų31.313%0.12817%0.169CC..Hα-helixtrans-63.9-38.8-179.3-63.2-42.7000111.1D698 A704 Q811 R818 L838 C843 I845D698-N700 PolarHBondContact O-N 3.43Å; D698-N700 WeakPolarHBondContact OD1-CB 3.49Å; D698-N700 PolarHBondContact OD1-N 2.94Å; D698-N700 VanDerWaalsContact OD1-N 3.16Å; N700-A704 WeakPolarHBondContact O-CB 3.19Å; N700-A704 PolarHBondContact O-N 3.25Å; N700-Q811 PolarHBondContact O-NE2 3.32Å; N700-Q811 PolarHBondContact O-OE1 2.89Å; N700-R818 VanDerWaalsContact CB-NH2 3.35Å; N700-L838 HydrophobicContact CB-CD2 4.43Å; N700-C843 WeakPolarHBondContact OD1-CB 3.26Å; N700-I845 HydrophobicContact CB-CD1 4.47Å; N700-I845 WeakPolarHBondContact OD1-CD1 3.38Å
701L89.8Confident89.3Confident0 Ų031.4 Ų31.40%017%0.169CC..Hα-helixtrans-73.8-45.1-176.4-178.658.6000109.7Y670 L694 D698 P699 Y703 A704 L705 R818 I820 V833 A835Y670-L701 HydrophobicContact CD2-CD2 3.57Å; Y670-L701 HydrophobicContact CE2-CD2 3.85Å; L694-L701 HydrophobicContact CD2-CD2 4.31Å; L694-L701 HydrophobicContact CD2-CG 4.31Å; D698-L701 HydrophobicContact CB-CB 3.88Å; D698-L701 PolarHBondContact O-N 2.9Å; D698-L701 VanDerWaalsContact O-N 3.14Å; D698-L701 WeakPolarHBondContact OD1-CB 3.29Å; D698-L701 PolarHBondContact OD1-N 3.19Å; D698-L701 WeakPolarHBondContact OD2-CB 3.5Å; P699-L701 VanDerWaalsContact C-N 3.31Å; P699-L701 PolarHBondContact O-N 3.48Å; L701-Y703 VanDerWaalsContact C-N 3.31Å; L701-Y703 PolarHBondContact O-N 3.14Å; L701-A704 PolarHBondContact O-N 3.22Å; L701-L705 HydrophobicContact CD1-CD1 4.49Å; L701-L705 HydrophobicContact CD1-CG 4.47Å; L701-L705 HydrophobicContact CG-CD1 4.2Å; L701-L705 WeakPolarHBondContact O-CG 3.33Å; L701-L705 PolarHBondContact O-N 2.63Å; L701-R818 VanDerWaalsContact CB-NH2 3.31Å; L701-I820 HydrophobicContact CD1-CD1 3.6Å; L701-I820 HydrophobicContact CD1-CG1 3.94Å; L701-I820 HydrophobicContact CD1-CG2 3.85Å; L701-V833 HydrophobicContact CD1-CG1 4.11Å; L701-V833 HydrophobicContact CD2-CG1 4.18Å; L701-A835 HydrophobicContact CD1-CB 4.27Å
702M91.5Very high89.5Confident0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-61.6-41.5177.5-170.553.6-177.400111.4F693 L694 D698 P699 L705 Y706 Y711 Y798 L848F693-M702 HydrophobicContact CE1-CG 4.07Å; F693-M702 HydrophobicContact CE2-CE 3.74Å; F693-M702 HydrophobicContact CZ-CE 3.46Å; F693-M702 VanDerWaalsContact CZ-CE 3.46Å; F693-M702 HydrophobicContact CZ-CG 3.86Å; F693-M702 HydrophobicContact CZ-SD 4.27Å; L694-M702 HydrophobicContact CB-CB 4.38Å; L694-M702 HydrophobicContact CB-SD 4.32Å; L694-M702 HydrophobicContact CD2-CB 4.17Å; L694-M702 HydrophobicContact CD2-SD 4.04Å; L694-M702 HydrophobicContact CG-CB 4.2Å; D698-M702 PolarHBondContact O-N 3.44Å; D698-M702 VanDerWaalsContact O-N 3.15Å; P699-M702 PolarHBondContact O-N 3.48Å; M702-L705 PolarHBondContact O-N 2.78Å; M702-Y706 WeakPolarHBondContact O-CB 3.27Å; M702-Y706 PolarHBondContact O-N 2.76Å; M702-Y711 HydrophobicContact CE-CD1 4.38Å; M702-Y711 HydrophobicContact CE-CD2 3.68Å; M702-Y711 HydrophobicContact CE-CE2 4.13Å; M702-Y711 HydrophobicContact CE-CG 3.82Å; M702-Y711 HydrophobicContact SD-CD2 3.93Å; M702-Y711 HydrophobicContact SD-CE2 4.05Å; M702-Y798 HydrophobicContact CE-CD1 3.86Å; M702-Y798 HydrophobicContact CE-CD2 4.46Å; M702-Y798 HydrophobicContact CE-CE1 4.22Å; M702-Y798 HydrophobicContact CE-CG 3.99Å; M702-L848 HydrophobicContact CG-CD1 4.34Å
703Y90.4Very high89.6Confident65 Ų6536 Ų3626%0.25519%0.185SC..Hα-helixtrans-61.9-43174.3-177.7-97000112.4P699 L701 L705 Y706 N707 I845 E846 L848P699-Y703 WeakPolarHBondContact O-CB 3.5Å; P699-Y703 PolarHBondContact O-N 3.19Å; L701-Y703 VanDerWaalsContact C-N 3.31Å; L701-Y703 PolarHBondContact O-N 3.14Å; Y703-L705 PolarHBondContact O-N 2.74Å; Y703-Y706 PolarHBondContact O-N 3.16Å; Y703-N707 HydrophobicContact CE1-CB 4.45Å; Y703-N707 VanDerWaalsContact O-CB 3.31Å; Y703-N707 WeakPolarHBondContact O-CB 3.46Å; Y703-N707 PolarHBondContact O-N 3.34Å; Y703-I845 HydrophobicContact CD1-CB 4.16Å; Y703-I845 HydrophobicContact CD1-CG2 3.68Å; Y703-I845 HydrophobicContact CD2-CB 4.35Å; Y703-I845 HydrophobicContact CE1-CG2 4.01Å; Y703-I845 HydrophobicContact CG-CB 4.06Å; Y703-I845 HydrophobicContact CG-CG2 4.07Å; Y703-E846 HydrophobicContact CD2-CB 4.3Å; Y703-E846 HydrophobicContact CE2-CB 4Å; Y703-L848 HydrophobicContact CD2-CD1 4.17Å; Y703-L848 HydrophobicContact CD2-CG 4.41Å
704A89.4Confident89.5Confident5 Ų538.7 Ų38.74%0.04120%0.197CC..Hα-helixtrans-62.6-42.1176.600000112.3N700 L701 N708 Q811 I820N700-A704 WeakPolarHBondContact O-CB 3.19Å; N700-A704 PolarHBondContact O-N 3.25Å; L701-A704 PolarHBondContact O-N 3.22Å; A704-N708 WeakPolarHBondContact O-CB 3.47Å; A704-N708 PolarHBondContact O-N 3.01Å; A704-N708 VanDerWaalsContact O-N 3.07Å; A704-N708 PolarHBondContact O-ND2 3.38Å; A704-Q811 HydrophobicContact CB-CB 4.4Å; A704-Q811 HydrophobicContact CB-CG 4.36Å; A704-I820 HydrophobicContact CB-CD1 3.97Å
705L90.2Very high89.3Confident0 Ų043.4 Ų43.40%022%0.219CC..Hα-helixtrans-64.9-41175.8-67.4172.2000111.4I672 L694 L701 M702 Y703 S709 F710 Y711 I809 A822 L831 V833I672-L705 HydrophobicContact CD1-CD1 4.41Å; L694-L705 HydrophobicContact CD2-CD1 4.01Å; L701-L705 HydrophobicContact CD1-CD1 4.49Å; L701-L705 HydrophobicContact CD1-CG 4.47Å; L701-L705 HydrophobicContact CG-CD1 4.2Å; L701-L705 WeakPolarHBondContact O-CG 3.33Å; L701-L705 PolarHBondContact O-N 2.63Å; M702-L705 PolarHBondContact O-N 2.78Å; Y703-L705 PolarHBondContact O-N 2.74Å; L705-S709 PolarHBondContact O-N 2.94Å; L705-F710 HydrophobicContact CB-CB 4.31Å; L705-F710 HydrophobicContact CD2-CD2 4.19Å; L705-F710 HydrophobicContact CD2-CG 4.27Å; L705-F710 WeakPolarHBondContact O-CB 3.15Å; L705-F710 PolarHBondContact O-N 3.43Å; L705-Y711 HydrophobicContact CB-CD2 4.03Å; L705-Y711 HydrophobicContact CB-CE2 4.29Å; L705-Y711 HydrophobicContact CD1-CE2 4.13Å; L705-I809 HydrophobicContact CD2-CD1 4.1Å; L705-A822 HydrophobicContact CD2-CB 4.13Å; L705-L831 HydrophobicContact CD1-CD2 4.46Å; L705-V833 HydrophobicContact CD1-CG2 4.38Å
706Y90Very high89.1Confident64 Ų6444 Ų4425%0.25122%0.223SC..Hα-helixtrans-66.1-47.4176.5177.4-108.2000112.6M702 Y703 N708 S709 Y711 R713 Y798 L848M702-Y706 WeakPolarHBondContact O-CB 3.27Å; M702-Y706 PolarHBondContact O-N 2.76Å; Y703-Y706 PolarHBondContact O-N 3.16Å; Y706-N708 VanDerWaalsContact C-N 3.3Å; Y706-N708 PolarHBondContact O-N 3.47Å; Y706-S709 WeakPolarHBondContact O-CA 3.5Å; Y706-S709 PolarHBondContact O-N 3.47Å; Y706-Y711 WeakPolarHBondContact CD2-O 3.49Å; Y706-R713 HydrophobicContact CE2-CB 3.75Å; Y706-Y798 HydrophobicContact CD2-CE1 4.19Å; Y706-Y798 HydrophobicContact CE2-CE1 4.46Å; Y706-L848 HydrophobicContact CD1-CD1 4.03Å; Y706-L848 HydrophobicContact CD1-CD2 4.43Å; Y706-L848 HydrophobicContact CG-CD1 4Å
707N89.5Confident89Confident105 Ų10543.3 Ų43.356%0.56121%0.214SC*.Hα-helixtrans-62.9-36.7179.5-170.528.1000111.9Y703 S709Y703-N707 HydrophobicContact CE1-CB 4.45Å; Y703-N707 VanDerWaalsContact O-CB 3.31Å; Y703-N707 WeakPolarHBondContact O-CB 3.46Å; Y703-N707 PolarHBondContact O-N 3.34Å; N707-S709 PolarHBondContact O-N 2.97Å
708N87.7Confident88.7Confident70 Ų7042.7 Ų42.737%0.37421%0.21SC..THydrogen-bonded Turntrans-80.513.4172.5-71.1-83.2000113.4A704 Y706 F710 L803 I809A704-N708 WeakPolarHBondContact O-CB 3.47Å; A704-N708 PolarHBondContact O-N 3.01Å; A704-N708 VanDerWaalsContact O-N 3.07Å; A704-N708 PolarHBondContact O-ND2 3.38Å; Y706-N708 VanDerWaalsContact C-N 3.3Å; Y706-N708 PolarHBondContact O-N 3.47Å; N708-F710 VanDerWaalsContact C-N 3.26Å; N708-F710 HydrophobicContact CB-CD2 4.3Å; N708-F710 PolarHBondContact O-N 3.11Å; N708-L803 WeakPolarHBondContact O-CD1 3.4Å; N708-I809 HydrophobicContact CB-CD1 3.99Å; N708-I809 HydrophobicContact CB-CG1 4.4Å; N708-I809 WeakPolarHBondContact ND2-CG2 3.34Å
709S87.5Confident88.3Confident63 Ų6345 Ų4544%0.44122%0.217SC..THydrogen-bonded Turntrans63.219.2173.6-61.80000115.3L705 Y706 N707 S801 L803L705-S709 PolarHBondContact O-N 2.94Å; Y706-S709 WeakPolarHBondContact O-CA 3.5Å; Y706-S709 PolarHBondContact O-N 3.47Å; N707-S709 PolarHBondContact O-N 2.97Å; S709-S801 WeakPolarHBondContact O-CB 3.49Å; S709-S801 PolarHBondContact O-OG 2.85Å; S709-L803 VanDerWaalsContact C-CD1 3.5Å; S709-L803 WeakPolarHBondContact O-CD1 3.37Å
710F87.8Confident87.9Confident0 Ų043.8 Ų43.80%021%0.208CC..SBendtrans-63.5-44173.4-89.8-93.5000111.8L705 N708 S801 Y807 I809 A822 R824 L831L705-F710 HydrophobicContact CB-CB 4.31Å; L705-F710 HydrophobicContact CD2-CD2 4.19Å; L705-F710 HydrophobicContact CD2-CG 4.27Å; L705-F710 WeakPolarHBondContact O-CB 3.15Å; L705-F710 PolarHBondContact O-N 3.43Å; N708-F710 VanDerWaalsContact C-N 3.26Å; N708-F710 HydrophobicContact CB-CD2 4.3Å; N708-F710 PolarHBondContact O-N 3.11Å; F710-S801 PolarHBondContact O-N 2.74Å; F710-S801 PolarHBondContact O-OG 2.82Å; F710-Y807 HydrophobicContact CE1-CD2 4.02Å; F710-Y807 AromaticContact CE2-CD2 3.72Å; F710-Y807 HydrophobicContact CE2-CD2 3.72Å; F710-Y807 AromaticContact CE2-CG 3.78Å; F710-Y807 HydrophobicContact CE2-CG 3.78Å; F710-Y807 AromaticContact CZ-CD2 3.25Å; F710-Y807 HydrophobicContact CZ-CD2 3.25Å; F710-Y807 HydrophobicContact CZ-CE2 4.2Å; F710-Y807 AromaticContact CZ-CG 3.66Å; F710-Y807 HydrophobicContact CZ-CG 3.66Å; F710-I809 HydrophobicContact CD2-CD1 4.14Å; F710-I809 HydrophobicContact CE2-CD1 3.77Å; F710-I809 HydrophobicContact CE2-CG1 4.47Å; F710-A822 HydrophobicContact CE1-CB 3.94Å; F710-A822 HydrophobicContact CE2-CB 4.36Å; F710-A822 HydrophobicContact CZ-CB 3.71Å; F710-R824 PolarHBondContact O-NH2 3.13Å; F710-L831 HydrophobicContact CD1-CD1 4.19Å; F710-L831 HydrophobicContact CD1-CD2 4.35Å; F710-L831 HydrophobicContact CE1-CD1 4.07Å
711Y91.1Very high87.5Confident2 Ų242.9 Ų42.91%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-106.2146.4173.2-68.5-77.6000110.5I672 D673 D674 M702 L705 Y706 Y799 F800 L831I672-Y711 VanDerWaalsContact CG2-OH 3.24Å; I672-Y711 WeakPolarHBondContact CG2-OH 3.3Å; D673-Y711 PolarHBondContact O-OH 3.24Å; D674-Y711 WeakPolarHBondContact O-CE1 3.47Å; M702-Y711 HydrophobicContact CE-CD1 4.38Å; M702-Y711 HydrophobicContact CE-CD2 3.68Å; M702-Y711 HydrophobicContact CE-CE2 4.13Å; M702-Y711 HydrophobicContact CE-CG 3.82Å; M702-Y711 HydrophobicContact SD-CD2 3.93Å; M702-Y711 HydrophobicContact SD-CE2 4.05Å; L705-Y711 HydrophobicContact CB-CD2 4.03Å; L705-Y711 HydrophobicContact CB-CE2 4.29Å; L705-Y711 HydrophobicContact CD1-CE2 4.13Å; Y706-Y711 WeakPolarHBondContact CD2-O 3.49Å; Y711-Y799 WeakPolarHBondContact CA-O 3.27Å; Y711-F800 HydrophobicContact CD1-CD1 4.05Å; Y711-F800 HydrophobicContact CD1-CE1 4.29Å; Y711-F800 AromaticContact CE1-CD1 3.64Å; Y711-F800 HydrophobicContact CE1-CD1 3.64Å; Y711-F800 AromaticContact CE1-CE1 3.45Å; Y711-F800 HydrophobicContact CE1-CE1 3.45Å; Y711-F800 VanDerWaalsContact CE1-CE1 3.45Å; Y711-F800 HydrophobicContact CE1-CZ 4.46Å; Y711-F800 AromaticContact CZ-CE1 3.61Å; Y711-F800 WeakPolarHBondContact OH-CE1 3.44Å; Y711-L831 HydrophobicContact CE2-CD2 4.21Å
712K91.9Very high87Confident99 Ų9945.2 Ų45.243%0.4322%0.217SC..EExtended strand (participates in β ladder)trans-113.2141.6165.4-71.8-177.1175.5-175.40108.7Y798 Y799K712-Y798 VanDerWaalsContact O-CA 3.3Å; K712-Y798 WeakPolarHBondContact O-CA 3.22Å; K712-Y799 HydrophobicContact CB-CD1 4.28Å; K712-Y799 HydrophobicContact CB-CE1 3.7Å; K712-Y799 HydrophobicContact CB-CE2 4.07Å; K712-Y799 HydrophobicContact CD-CE2 4.15Å; K712-Y799 PolarHBondContact N-O 2.92Å; K712-Y799 WeakPolarHBondContact O-CD1 3.28Å; K712-Y799 PolarHBondContact O-N 3.32Å
713R90.8Very high86.2Confident72 Ų7245.5 Ų45.527%0.27222%0.219SC..EExtended strand (participates in β ladder)trans-97133.5175.3-175170.366.7-169.8-1.1109.1Y706 T796 Q797 Y798 E846Y706-R713 HydrophobicContact CE2-CB 3.75Å; R713-T796 VanDerWaalsContact CD-CG2 3.42Å; R713-T796 HydrophobicContact CG-CG2 3.39Å; R713-Q797 WeakPolarHBondContact CA-O 3.47Å; R713-Y798 HydrophobicContact CB-CD1 4.05Å; R713-Y798 HydrophobicContact CB-CE1 3.71Å; R713-Y798 WeakPolarHBondContact CD-OH 3.42Å; R713-Y798 HydrophobicContact CG-CD1 4.49Å; R713-Y798 HydrophobicContact CG-CE1 3.95Å; R713-E846 IonicContact CZ-OE1 2.67Å; R713-E846 IonicContact NH1-OE1 3.42Å; R713-E846 PolarHBondContact NH1-OE1 3.12Å; R713-E846 IonicContact NH2-OE1 3.59Å; R713-E846 PolarHBondContact NH2-OE1 3.48Å
714K90.1Very high85.4Confident66 Ų6648.1 Ų48.129%0.28723%0.234SC..EExtended strand (participates in β ladder)trans-124.2130165.8-174.768.7175-179.60108L372 I406 Q797 Y799L372-K714 HydrophobicContact CD2-CG 4.28Å; I406-K714 HydrophobicContact CD1-CB 3.74Å; I406-K714 HydrophobicContact CD1-CG 4.13Å; K714-Q797 PolarHBondContact N-O 3.01Å; K714-Q797 PolarHBondContact O-N 3.11Å; K714-Y799 HydrophobicContact CB-CE1 4.18Å
715Q86.8Confident84Confident99 Ų9954.1 Ų54.146%0.46326%0.255SS..EExtended strand (participates in β ladder)trans-99.9141.5173.6-69.7179.5-31.100109.2I794 Q795 T796Q715-I794 HydrophobicContact CB-CG2 4.41Å; Q715-Q795 CarbonylContact C-O 3.53Å; Q715-Q795 WeakPolarHBondContact CA-O 3.35Å; Q715-T796 HydrophobicContact CG-CG2 4.41Å
716S85.1Confident82.5Confident15 Ų1558.4 Ų58.411%0.10528%0.281CS..EExtended strand (participates in β ladder)trans-137.6161175.162.60000109.8Q795 Q797S716-Q795 PolarHBondContact N-O 2.89Å; S716-Q795 PolarHBondContact O-N 2.9Å; S716-Q797 PolarHBondContact OG-OE1 3.17Å
717F83.6Confident80.5Confident64 Ų6464.2 Ų64.228%0.28131%0.311SS..EExtended strand (participates in β ladder)trans-115.4124-176.2-60.2-90.5000109.9Y719 V792 I794F717-Y719 HydrophobicContact CB-CD2 4.32Å; F717-Y719 HydrophobicContact CB-CE1 4.47Å; F717-Y719 HydrophobicContact CB-CE2 3.7Å; F717-V792 HydrophobicContact CB-CG1 4.09Å; F717-V792 HydrophobicContact CD1-CG1 4.14Å; F717-I794 HydrophobicContact CD1-CG1 3.86Å; F717-I794 HydrophobicContact CE1-CD1 4.03Å; F717-I794 HydrophobicContact CE1-CG1 3.76Å
718D82.6Confident78.2Confident20 Ų2064.9 Ų64.911%0.10731%0.314CS..EExtended strand (participates in β ladder)trans-95.299.3169.1-179.59.2000109.6K355 Q720 S721 V792 M793 Q795K355-D718 IonicContact NZ-OD2 3.71Å; K355-D718 PolarHBondContact NZ-OD2 3.43Å; D718-Q720 VanDerWaalsContact C-N 3.25Å; D718-Q720 PolarHBondContact O-N 3.43Å; D718-Q720 PolarHBondContact OD1-N 2.9Å; D718-S721 PolarHBondContact O-OG 3.31Å; D718-S721 PolarHBondContact OD1-N 2.81Å; D718-S721 WeakPolarHBondContact OD2-CB 3.49Å; D718-V792 WeakPolarHBondContact O-CA 3.4Å; D718-M793 PolarHBondContact N-O 2.86Å; D718-M793 PolarHBondContact O-N 2.84Å; D718-Q795 HydrophobicContact CB-CG 4.5Å
719Y79.9Confident75.7Confident63 Ų6367.4 Ų67.425%0.24734%0.337CS..EExtended strand (participates in β ladder)trans-74.8-11.3178-65.3-78.7000113.9L365 D369 F717 V792L365-Y719 HydrophobicContact CD1-CD2 4.18Å; D369-Y719 HydrophobicContact CB-CD2 3.91Å; D369-Y719 HydrophobicContact CB-CE2 3.67Å; F717-Y719 HydrophobicContact CB-CD2 4.32Å; F717-Y719 HydrophobicContact CB-CE1 4.47Å; F717-Y719 HydrophobicContact CB-CE2 3.7Å; Y719-V792 HydrophobicContact CD1-CB 4.33Å; Y719-V792 HydrophobicContact CD1-CG1 3.79Å; Y719-V792 HydrophobicContact CD1-CG2 3.58Å; Y719-V792 HydrophobicContact CE1-CG1 3.8Å; Y719-V792 HydrophobicContact CE1-CG2 4.02Å; Y719-V792 HydrophobicContact CG-CG1 4.44Å
720Q80.9Confident73.3Confident24 Ų2472.8 Ų72.811%0.11236%0.355CS..EExtended strand (participates in β ladder)trans-105.510.7-177.1-59.6-170.5-5300112.4N351 R353 K355 D718N351-Q720 PolarHBondContact O-OE1 2.96Å; R353-Q720 PolarHBondContact O-OE1 2.89Å; K355-Q720 VanDerWaalsContact CB-O 3.26Å; K355-Q720 WeakPolarHBondContact CB-O 3.37Å; K355-Q720 VanDerWaalsContact CD-O 3.28Å; K355-Q720 WeakPolarHBondContact CD-O 3.5Å; K355-Q720 WeakPolarHBondContact CG-O 3.14Å; D718-Q720 VanDerWaalsContact C-N 3.25Å; D718-Q720 PolarHBondContact O-N 3.43Å; D718-Q720 PolarHBondContact OD1-N 2.9Å
721S80.3Confident70.8Confident4 Ų478.6 Ų78.63%0.02839%0.391CS..EExtended strand (participates in β ladder)trans-72.9163.3-178.674.50000114.1D718 C791 M793D718-S721 PolarHBondContact O-OG 3.31Å; D718-S721 PolarHBondContact OD1-N 2.81Å; D718-S721 WeakPolarHBondContact OD2-CB 3.49Å; S721-C791 PolarHBondContact O-N 3.33Å; S721-C791 VanDerWaalsContact O-N 3.08Å; S721-C791 PolarHBondContact OG-O 2.88Å; S721-C791 PolarHBondContact OG-SG 3.38Å; S721-M793 WeakPolarHBondContact OG-CB 3.39Å; S721-M793 WeakPolarHBondContact OG-CG 3.47Å; S721-M793 PolarHBondContact OG-N 3.36Å
722V80.3Confident68Low50 Ų5081.8 Ų81.830%0.30343%0.425SS..EExtended strand (participates in β ladder)trans-116.9128.5179.8-178.40000109.2K355 I356 E788 C791K355-V722 HydrophobicContact CB-CG2 3.54Å; K355-V722 HydrophobicContact CD-CG2 4.28Å; I356-V722 HydrophobicContact CD1-CB 4.35Å; I356-V722 HydrophobicContact CD1-CG1 4.08Å; I356-V722 HydrophobicContact CD1-CG2 3.73Å; I356-V722 HydrophobicContact CG1-CG2 3.75Å; V722-E788 HydrophobicContact CG1-CB 3.53Å; V722-E788 HydrophobicContact CG1-CG 3.76Å; V722-C791 VanDerWaalsContact C-SG 3.52Å
723C74.8Confident65Low6 Ų683 Ų834%0.04144%0.441CS..EExtended strand (participates in β ladder)trans-121145.1175.5-66.90000110.7R789 C791 M793C723-R789 PolarHBondContact N-O 2.69Å; C723-R789 PolarHBondContact O-N 3.45Å; C723-C791 VanDerWaalsContact CA-SG 3.58Å; C723-C791 HydrophobicContact CB-CB 3.55Å; C723-C791 WeakPolarHBondContact CB-SG 3.45Å; C723-C791 PolarHBondContact N-SG 3.1Å; C723-C791 WeakPolarHBondContact SG-CB 3.28Å; C723-C791 CovalentContact SG-SG 2Å; C723-C791 PolarHBondContact SG-SG 2.79Å; C723-M793 VanDerWaalsContact SG-SD 3.64Å
724E72.1Confident62Low119 Ų11984.2 Ų84.256%0.55647%0.466SS*.EExtended strand (participates in β ladder)trans-66.4147165.7-66.4168.8149.300110.1V726 K854E724-V726 PolarHBondContact O-N 3.04Å; E724-K854 IonicContact OE2-NZ 2.79Å; E724-K854 PolarHBondContact OE2-NZ 3.48Å
725R61.7Low59.1Low132 Ų13292.2 Ų92.250%0.49849%0.494SS..PPolyproline II helixtrans-72.6116.4175.7-161.9175.4-174.6155.4-9.7109.7Q727 E785 K787R725-Q727 PolarHBondContact O-N 3.41Å; R725-E785 IonicContact CZ-OE2 3.44Å; R725-E785 IonicContact NH1-OE1 3.56Å; R725-E785 IonicContact NH1-OE2 2.63Å; R725-E785 PolarHBondContact NH1-OE2 3.46Å; R725-E785 IonicContact NH2-OE2 3.54Å; R725-K787 PolarHBondContact N-O 3.12Å; R725-K787 VanDerWaalsContact N-O 3.14Å
726V58.7Low56.4Low89 Ų8998.9 Ų98.954%0.53952%0.515SS..PPolyproline II helixtrans-63.4117.8163.3-175.70000106.5E724 N728E724-V726 PolarHBondContact O-N 3.04Å; V726-N728 VanDerWaalsContact C-N 3.29Å; V726-N728 PolarHBondContact O-N 3.38Å
727Q48.2Very low53.8Low186 Ų186101.8 Ų101.887%0.86955%0.548SS*.  trans-67.493.9172.1-73.4-174.6-6.700107.6R725 S729R725-Q727 PolarHBondContact O-N 3.41Å; Q727-S729 PolarHBondContact O-N 2.82Å; Q727-S729 VanDerWaalsContact O-N 3.14Å
728N40.7Very low51.4Low120 Ų120104.6 Ų104.664%0.64257%0.57SS**  trans-63.2118.2167.9-70.14000106.8V726 E730V726-N728 VanDerWaalsContact C-N 3.29Å; V726-N728 PolarHBondContact O-N 3.38Å; N728-E730 PolarHBondContact O-N 2.87Å
729S34.9Very low49.4Very low122 Ų122111 Ų11185%0.85360%0.597SS**SBendtrans-68.123.7-179.6540000114Q727Q727-S729 PolarHBondContact O-N 2.82Å; Q727-S729 VanDerWaalsContact O-N 3.14Å
730E37.9Very low47.4Very low176 Ų176113.5 Ų113.582%0.82262%0.619SS**  trans-106.949.2177.1-62.9-162.7171.100111N728 G732N728-E730 PolarHBondContact O-N 2.87Å; E730-G732 PolarHBondContact O-N 2.89Å
731T33.6Very low45.4Very low122 Ų122114.9 Ų114.975%0.74863%0.63SS**  trans-75.473154.854.60000108.1T733T731-T733 PolarHBondContact O-N 2.99Å
732G32.9Very low44.1Very low70 Ų70118.7 Ų118.772%0.72265%0.653SS**  trans-61.689.8160.100000107.7E730 A734E730-G732 PolarHBondContact O-N 2.89Å; G732-A734 PolarHBondContact O-N 3.48Å
733T29.1Very low43Very low124 Ų124123.4 Ų123.476%0.76168%0.675SS**  trans-62.589164.341.50000106.9T731 R735T731-T733 PolarHBondContact O-N 2.99Å; T733-R735 VanDerWaalsContact C-N 3.27Å; T733-R735 PolarHBondContact O-N 3.43Å
734A28.6Very low42Very low97 Ų97126.8 Ų126.880%0.80270%0.703SS**  trans-61.299164.400000106.3G732 R736G732-A734 PolarHBondContact O-N 3.48Å; A734-R736 PolarHBondContact O-N 3.38Å
735R28.5Very low40.9Very low234 Ų234123.9 Ų123.988%0.88369%0.692SS**  trans-51.2126.5168.6-72.9-175175.7-173.7-1.1106.6T733 G737T733-R735 VanDerWaalsContact C-N 3.27Å; T733-R735 PolarHBondContact O-N 3.43Å; R735-G737 PolarHBondContact O-N 2.02Å
736R31Very low40.5Very low239 Ų239124 Ų12490%0.90270%0.696SS**  trans-47.2114.6168-75-180179.4168.50.5106.5A734 V738A734-R736 PolarHBondContact O-N 3.38Å; R736-V738 VanDerWaalsContact C-N 3.33Å; R736-V738 PolarHBondContact O-N 3.11Å
737G30.1Very low40.4Very low77 Ų77125.1 Ų125.179%0.79470%0.703SS**  trans-60.6100.217500000107.7R735 F739R735-G737 PolarHBondContact O-N 2.02Å; G737-F739 PolarHBondContact O-N 3.3Å
738V33.2Very low40.8Very low123 Ų123121 Ų12175%0.74569%0.687SS**  trans-65.1115.9163.1175.50000104.7R736 V740R736-V738 VanDerWaalsContact C-N 3.33Å; R736-V738 PolarHBondContact O-N 3.11Å; V738-V740 PolarHBondContact O-N 2.98Å
739F40.8Very low41.5Very low153 Ų153121.9 Ų121.967%0.67169%0.691SS**  trans-58.9108.6168.9-177.7-97.5000107.1G737 P741G737-F739 PolarHBondContact O-N 3.3Å; F739-P741 HydrophobicContact CD1-CB 4.47Å; F739-P741 HydrophobicContact CE1-CB 4.12Å; F739-P741 VanDerWaalsContact O-CD 3.24Å; F739-P741 WeakPolarHBondContact O-CD 3.06Å
740V37.8Very low42.6Very low117 Ų117119.1 Ų119.171%0.70968%0.675SS**  trans-86.3107.3171.5-178.70000105.7V738 T742V738-V740 PolarHBondContact O-N 2.98Å; V740-T742 PolarHBondContact O-N 3.16Å
741P38.6Very low43.5Very low52 Ų52117.4 Ų117.434%0.33866%0.662SS.*  trans-60.7138.5179.622.8-30.1000109.7F739 D745 F746F739-P741 HydrophobicContact CD1-CB 4.47Å; F739-P741 HydrophobicContact CE1-CB 4.12Å; F739-P741 VanDerWaalsContact O-CD 3.24Å; F739-P741 WeakPolarHBondContact O-CD 3.06Å; P741-D745 HydrophobicContact CB-CB 3.76Å; P741-F746 HydrophobicContact CG-CD2 4.38Å; P741-F746 HydrophobicContact CG-CE2 4.31Å
742T53.6Low44.5Very low85 Ų85117.7 Ų117.752%0.52165%0.649SS.*  trans-73.4162.717462.50000110V740 A744 D745 F746V740-T742 PolarHBondContact O-N 3.16Å; T742-A744 PolarHBondContact O-N 3Å; T742-D745 PolarHBondContact N-OD2 3.41Å; T742-D745 WeakPolarHBondContact O-CB 3.42Å; T742-D745 PolarHBondContact O-N 3.39Å; T742-D745 PolarHBondContact OG1-OD2 2.89Å; T742-F746 PolarHBondContact O-N 2.79Å
743I55.2Low46.2Very low148 Ų148118.5 Ų118.576%0.75964%0.64SS**Hα-helixtrans-58.1-24.8178.9-62.6170.2000111.4F746 V747I743-F746 PolarHBondContact O-N 3.48Å; I743-V747 WeakPolarHBondContact O-CG2 3.02Å
744A55Low47.8Very low77 Ų77115.6 Ų115.664%0.63663%0.625SS**Hα-helixtrans-68.7-29.7173.400000113.5T742T742-A744 PolarHBondContact O-N 3Å
745D49.7Very low49.3Very low59 Ų59113 Ų11332%0.31660%0.603SS.*Hα-helixtrans-78.2-27.1178.5-58.2-48.6000112P741 T742 V747P741-D745 HydrophobicContact CB-CB 3.76Å; T742-D745 PolarHBondContact N-OD2 3.41Å; T742-D745 WeakPolarHBondContact O-CB 3.42Å; T742-D745 PolarHBondContact O-N 3.39Å; T742-D745 PolarHBondContact OG1-OD2 2.89Å; D745-V747 VanDerWaalsContact C-N 3.34Å; D745-V747 PolarHBondContact O-N 3.09Å
746F53Low51.1Low133 Ų133104.3 Ų104.358%0.58358%0.581SS**Hα-helixtrans-71.6-25.7179.8-119.5-87.9000113.7P741 T742 I743 W752P741-F746 HydrophobicContact CG-CD2 4.38Å; P741-F746 HydrophobicContact CG-CE2 4.31Å; T742-F746 PolarHBondContact O-N 2.79Å; I743-F746 PolarHBondContact O-N 3.48Å; F746-W752 HydrophobicContact CE1-CZ2 4.41Å; F746-W752 HydrophobicContact CZ-CZ2 4.47Å
747V55.5Low52.9Low114 Ų11495.7 Ų95.769%0.69156%0.561SS**THydrogen-bonded Turntrans-91.9-7.8-172.1-174.90000112.4I743 D745 L749I743-V747 WeakPolarHBondContact O-CG2 3.02Å; D745-V747 VanDerWaalsContact C-N 3.34Å; D745-V747 PolarHBondContact O-N 3.09Å; V747-L749 PolarHBondContact O-N 3.3Å
748N56.7Low54.4Low100 Ų10099.4 Ų99.454%0.53555%0.552SS.*  trans-85.384-176.1-139.2-16000111.3A750 W751N748-A750 PolarHBondContact O-N 2.75Å; N748-A750 VanDerWaalsContact O-N 3.1Å; N748-W751 HydrophobicContact CB-CB 4.41Å; N748-W751 WeakPolarHBondContact O-CB 3.36Å; N748-W751 PolarHBondContact O-N 3.02Å
749L55.7Low55.8Low138 Ų13896.3 Ų96.372%0.72354%0.535SS*.Hα-helixtrans-56.8-26.7-176.7-131.2106.3000113.6V747 W751 T753V747-L749 PolarHBondContact O-N 3.3Å; L749-W751 VanDerWaalsContact C-N 3.32Å; L749-T753 WeakPolarHBondContact O-CG2 3.33Å; L749-T753 PolarHBondContact O-N 2.83Å; L749-T753 PolarHBondContact O-OG1 3.43Å
750A57.7Low57Low63 Ų6394.4 Ų94.452%0.52153%0.531SS..Hα-helixtrans-70.6-25.8176.900000113.3N748 T753 S754N748-A750 PolarHBondContact O-N 2.75Å; N748-A750 VanDerWaalsContact O-N 3.1Å; A750-T753 PolarHBondContact O-OG1 2.78Å; A750-S754 WeakPolarHBondContact O-CB 3.37Å; A750-S754 PolarHBondContact O-N 3.31Å; A750-S754 PolarHBondContact O-OG 2.92Å
751W57.1Low58.5Low141 Ų14193.3 Ų93.353%0.53452%0.517SS..Hα-helixtrans-79.1-41177.5-169.968.9000111.4N748 L749 T753 S754 A755N748-W751 HydrophobicContact CB-CB 4.41Å; N748-W751 WeakPolarHBondContact O-CB 3.36Å; N748-W751 PolarHBondContact O-N 3.02Å; L749-W751 VanDerWaalsContact C-N 3.32Å; W751-T753 PolarHBondContact O-N 2.9Å; W751-S754 WeakPolarHBondContact CA-OG 3.49Å; W751-S754 PolarHBondContact O-N 2.69Å; W751-S754 PolarHBondContact O-OG 2.83Å; W751-S754 VanDerWaalsContact O-OG 3.09Å; W751-A755 WeakPolarHBondContact O-CB 3.46Å; W751-A755 PolarHBondContact O-N 3.44Å
752W54.8Low59.6Low127 Ų12795 Ų9548%0.48152%0.521SS..Hα-helixtrans-62.6-41.1174.9-73.9100000112.5F746 A756F746-W752 HydrophobicContact CE1-CZ2 4.41Å; F746-W752 HydrophobicContact CZ-CZ2 4.47Å; W752-A756 WeakPolarHBondContact O-CB 3.5Å; W752-A756 PolarHBondContact O-N 2.71Å
753T67.6Low60Low87 Ų8797.1 Ų97.153%0.53453%0.525SS..Hα-helixtrans-71.7-38.1179.853.60000112.3L749 A750 W751 A757L749-T753 WeakPolarHBondContact O-CG2 3.33Å; L749-T753 PolarHBondContact O-N 2.83Å; L749-T753 PolarHBondContact O-OG1 3.43Å; A750-T753 PolarHBondContact O-OG1 2.78Å; W751-T753 PolarHBondContact O-N 2.9Å; T753-A757 WeakPolarHBondContact O-CB 3.41Å; T753-A757 PolarHBondContact O-N 3.13Å
754S64.8Low60.4Low64 Ų6496.4 Ų96.445%0.44852%0.516SS..Hα-helixtrans-72-41.317653.10000112.5A750 W751 A757 W758A750-S754 WeakPolarHBondContact O-CB 3.37Å; A750-S754 PolarHBondContact O-N 3.31Å; A750-S754 PolarHBondContact O-OG 2.92Å; W751-S754 WeakPolarHBondContact CA-OG 3.49Å; W751-S754 PolarHBondContact O-N 2.69Å; W751-S754 PolarHBondContact O-OG 2.83Å; W751-S754 VanDerWaalsContact O-OG 3.09Å; S754-A757 PolarHBondContact O-N 3.09Å; S754-W758 VanDerWaalsContact O-CB 3.26Å; S754-W758 WeakPolarHBondContact O-CB 3.28Å; S754-W758 PolarHBondContact O-N 3.48Å
755A59.9Low60.4Low42 Ų4297 Ų9735%0.34751%0.508SS..Hα-helixtrans-67.7-40.5175.500000112.2W751 W758 S759W751-A755 WeakPolarHBondContact O-CB 3.46Å; W751-A755 PolarHBondContact O-N 3.44Å; A755-W758 PolarHBondContact O-N 3.14Å; A755-S759 VanDerWaalsContact O-CB 3.27Å; A755-S759 WeakPolarHBondContact O-CB 3.29Å; A755-S759 PolarHBondContact O-N 3.07Å
756A65Low60.7Low51 Ų51101.4 Ų101.442%0.42152%0.522SS..Hα-helixtrans-67.3-4217500000111.7W752 W758 S759 L760W752-A756 WeakPolarHBondContact O-CB 3.5Å; W752-A756 PolarHBondContact O-N 2.71Å; A756-W758 VanDerWaalsContact C-N 3.33Å; A756-W758 PolarHBondContact O-N 3.45Å; A756-S759 PolarHBondContact O-N 3.27Å; A756-L760 WeakPolarHBondContact O-CB 3.42Å; A756-L760 VanDerWaalsContact O-CG 3.29Å; A756-L760 WeakPolarHBondContact O-CG 3.36Å; A756-L760 PolarHBondContact O-N 3.13Å
757A68.6Low60.7Low58 Ų5897.6 Ų97.648%0.47952%0.52SS..Hα-helixtrans-63.7-39.6175.300000111.8T753 S754 F761T753-A757 WeakPolarHBondContact O-CB 3.41Å; T753-A757 PolarHBondContact O-N 3.13Å; S754-A757 PolarHBondContact O-N 3.09Å; A757-F761 WeakPolarHBondContact O-CB 3.49Å; A757-F761 PolarHBondContact O-N 3.32Å
758W62.3Low60.6Low156 Ų15698 Ų9859%0.59152%0.518SS*.Hα-helixtrans-69.7-38.4177.3-161.1-117.2000112.6S754 A755 A756 F761 Q762S754-W758 VanDerWaalsContact O-CB 3.26Å; S754-W758 WeakPolarHBondContact O-CB 3.28Å; S754-W758 PolarHBondContact O-N 3.48Å; A755-W758 PolarHBondContact O-N 3.14Å; A756-W758 VanDerWaalsContact C-N 3.33Å; A756-W758 PolarHBondContact O-N 3.45Å; W758-F761 AromaticContact CE3-CD1 3.98Å; W758-F761 HydrophobicContact CE3-CD1 3.98Å; W758-F761 HydrophobicContact CH2-CD1 4.17Å; W758-F761 HydrophobicContact CH2-CE1 4.2Å; W758-F761 AromaticContact CZ3-CD1 3.67Å; W758-F761 HydrophobicContact CZ3-CD1 3.67Å; W758-F761 AromaticContact CZ3-CE1 3.96Å; W758-F761 HydrophobicContact CZ3-CE1 3.96Å; W758-F761 PolarHBondContact O-N 3.34Å; W758-Q762 WeakPolarHBondContact O-CB 3.24Å; W758-Q762 PolarHBondContact O-N 2.88Å
759S63.1Low60.5Low58 Ų5896.4 Ų96.441%0.40652%0.518SS..Hα-helixtrans-65.1-43.6174-178.30000112.1A755 A756 Q762 Q763A755-S759 VanDerWaalsContact O-CB 3.27Å; A755-S759 WeakPolarHBondContact O-CB 3.29Å; A755-S759 PolarHBondContact O-N 3.07Å; A756-S759 PolarHBondContact O-N 3.27Å; S759-Q762 PolarHBondContact O-N 3.39Å; S759-Q763 WeakPolarHBondContact O-CB 3.08Å; S759-Q763 PolarHBondContact O-N 3.06Å
760L66Low60.2Low112 Ų11297.7 Ų97.759%0.58651%0.514SS*.Hα-helixtrans-67.1-38175.7-73.8168.5000112A756 Q763 F764A756-L760 WeakPolarHBondContact O-CB 3.42Å; A756-L760 VanDerWaalsContact O-CG 3.29Å; A756-L760 WeakPolarHBondContact O-CG 3.36Å; A756-L760 PolarHBondContact O-N 3.13Å; L760-Q763 PolarHBondContact O-N 3.18Å; L760-F764 VanDerWaalsContact O-CB 3.29Å; L760-F764 WeakPolarHBondContact O-CB 3.32Å; L760-F764 PolarHBondContact O-N 2.69Å
761F68.8Low59.6Low94 Ų94104.2 Ų104.241%0.41253%0.534SS..Hα-helixtrans-67.2-41.1175-177.5-111000111.9A757 W758 F764 L765A757-F761 WeakPolarHBondContact O-CB 3.49Å; A757-F761 PolarHBondContact O-N 3.32Å; W758-F761 AromaticContact CE3-CD1 3.98Å; W758-F761 HydrophobicContact CE3-CD1 3.98Å; W758-F761 HydrophobicContact CH2-CD1 4.17Å; W758-F761 HydrophobicContact CH2-CE1 4.2Å; W758-F761 AromaticContact CZ3-CD1 3.67Å; W758-F761 HydrophobicContact CZ3-CD1 3.67Å; W758-F761 AromaticContact CZ3-CE1 3.96Å; W758-F761 HydrophobicContact CZ3-CE1 3.96Å; W758-F761 PolarHBondContact O-N 3.34Å; F761-F764 PolarHBondContact O-N 2.93Å; F761-L765 HydrophobicContact CD1-CD1 3.83Å; F761-L765 HydrophobicContact CE1-CD1 3.37Å; F761-L765 HydrophobicContact CE1-CG 4.33Å; F761-L765 HydrophobicContact CE2-CD1 4.27Å; F761-L765 HydrophobicContact CE2-CG 4.43Å; F761-L765 HydrophobicContact CG-CD1 4.47Å; F761-L765 HydrophobicContact CZ-CD1 3.62Å; F761-L765 HydrophobicContact CZ-CG 4.22Å; F761-L765 WeakPolarHBondContact O-CB 3.46Å; F761-L765 WeakPolarHBondContact O-CG 3.3Å; F761-L765 PolarHBondContact O-N 2.82Å
762Q62.4Low58.8Low88 Ų88102 Ų10241%0.41154%0.54SS..Hα-helixtrans-62.3-47.4171.1-84.8-179.4-4200111W758 S759 F764 L765 Y766W758-Q762 WeakPolarHBondContact O-CB 3.24Å; W758-Q762 PolarHBondContact O-N 2.88Å; S759-Q762 PolarHBondContact O-N 3.39Å; Q762-F764 VanDerWaalsContact C-N 3.27Å; Q762-F764 PolarHBondContact O-N 3.11Å; Q762-L765 PolarHBondContact O-N 2.73Å; Q762-Y766 HydrophobicContact CB-CD2 4.32Å; Q762-Y766 WeakPolarHBondContact O-CB 3.49Å; Q762-Y766 WeakPolarHBondContact O-CD2 3.48Å; Q762-Y766 PolarHBondContact O-N 3.2Å
763Q61.7Low58Low130 Ų130107.7 Ų107.761%0.60756%0.561SS**Hα-helixtrans-61-35.5176.5-83.8-178-30.200112.7S759 L760 G767S759-Q763 WeakPolarHBondContact O-CB 3.08Å; S759-Q763 PolarHBondContact O-N 3.06Å; L760-Q763 PolarHBondContact O-N 3.18Å; Q763-G767 PolarHBondContact O-N 3.42Å
764F62.2Low56.4Low133 Ų133112.2 Ų112.258%0.58357%0.574SS**Hα-helixtrans-68.4-42.8175.3-175.7-105.9000112.1L760 F761 Q762 G767 L768L760-F764 VanDerWaalsContact O-CB 3.29Å; L760-F764 WeakPolarHBondContact O-CB 3.32Å; L760-F764 PolarHBondContact O-N 2.69Å; F761-F764 PolarHBondContact O-N 2.93Å; Q762-F764 VanDerWaalsContact C-N 3.27Å; Q762-F764 PolarHBondContact O-N 3.11Å; F764-G767 PolarHBondContact O-N 3.36Å; F764-L768 HydrophobicContact CD1-CD1 3.83Å; F764-L768 HydrophobicContact CE1-CD1 3.4Å; F764-L768 HydrophobicContact CE2-CD1 4.25Å; F764-L768 HydrophobicContact CG-CD1 4.43Å; F764-L768 HydrophobicContact CZ-CD1 3.64Å; F764-L768 WeakPolarHBondContact O-CB 3.39Å; F764-L768 WeakPolarHBondContact O-CG 3.39Å; F764-L768 PolarHBondContact O-N 2.95Å
765L56.7Low55Low88 Ų88115.1 Ų115.146%0.46159%0.589SS.*Hα-helixtrans-68.2-40.8175.3-75.4172.5000112.6F761 Q762 L768 A769F761-L765 HydrophobicContact CD1-CD1 3.83Å; F761-L765 HydrophobicContact CE1-CD1 3.37Å; F761-L765 HydrophobicContact CE1-CG 4.33Å; F761-L765 HydrophobicContact CE2-CD1 4.27Å; F761-L765 HydrophobicContact CE2-CG 4.43Å; F761-L765 HydrophobicContact CG-CD1 4.47Å; F761-L765 HydrophobicContact CZ-CD1 3.62Å; F761-L765 HydrophobicContact CZ-CG 4.22Å; F761-L765 WeakPolarHBondContact O-CB 3.46Å; F761-L765 WeakPolarHBondContact O-CG 3.3Å; F761-L765 PolarHBondContact O-N 2.82Å; Q762-L765 PolarHBondContact O-N 2.73Å; L765-L768 PolarHBondContact O-N 3.08Å; L765-A769 WeakPolarHBondContact O-CB 3.45Å; L765-A769 PolarHBondContact O-N 2.97Å; L765-A769 VanDerWaalsContact O-N 3.09Å
766Y55.8Low53.7Low153 Ų153118.3 Ų118.360%0.660%0.604SS**Hα-helixtrans-66.5-38.6174.6-86.8-73.2000111.5Q762 A769 Y770Q762-Y766 HydrophobicContact CB-CD2 4.32Å; Q762-Y766 WeakPolarHBondContact O-CB 3.49Å; Q762-Y766 WeakPolarHBondContact O-CD2 3.48Å; Q762-Y766 PolarHBondContact O-N 3.2Å; Y766-A769 PolarHBondContact O-N 3.07Å; Y766-Y770 PolarHBondContact O-N 3Å; Y766-Y770 VanDerWaalsContact O-N 3.14Å
767G52.3Low51.8Low53 Ų53122.4 Ų122.455%0.54662%0.619SS.*Hα-helixtrans-68.1-3217600000113.7Q763 F764Q763-G767 PolarHBondContact O-N 3.42Å; F764-G767 PolarHBondContact O-N 3.36Å
768L53.8Low50Low123 Ų123127.7 Ų127.764%0.64463%0.634SS**Hα-helixtrans-77.4-28.2174.2-80.7166.7000113.2F764 L765F764-L768 HydrophobicContact CD1-CD1 3.83Å; F764-L768 HydrophobicContact CE1-CD1 3.4Å; F764-L768 HydrophobicContact CE2-CD1 4.25Å; F764-L768 HydrophobicContact CG-CD1 4.43Å; F764-L768 HydrophobicContact CZ-CD1 3.64Å; F764-L768 WeakPolarHBondContact O-CB 3.39Å; F764-L768 WeakPolarHBondContact O-CG 3.39Å; F764-L768 PolarHBondContact O-N 2.95Å; L765-L768 PolarHBondContact O-N 3.08Å
769A53.6Low48.4Very low66 Ų66126.4 Ų126.455%0.54564%0.643SS.*Hα-helixtrans-89.5-24.5-175.400000114.3L765 Y766L765-A769 WeakPolarHBondContact O-CB 3.45Å; L765-A769 PolarHBondContact O-N 2.97Å; L765-A769 VanDerWaalsContact O-N 3.09Å; Y766-A769 PolarHBondContact O-N 3.07Å
770Y50.3Low46.6Very low164 Ų164130.8 Ų130.864%0.64366%0.657SS**  trans-135.693.5-171.3-71.8-84.7000112.9Y766 S772Y766-Y770 PolarHBondContact O-N 3Å; Y766-Y770 VanDerWaalsContact O-N 3.14Å; Y770-S772 VanDerWaalsContact C-N 3.28Å; Y770-S772 PolarHBondContact O-N 2.96Å
771H44.6Very low44.8Very low200 Ų200129.2 Ų129.293%0.92666%0.66SS**  trans-87.761.7165.9-131-39.7000110.1
772S40.6Very low42.9Very low95 Ų95131.3 Ų131.366%0.66467%0.671SS**SBendtrans-160126.2167.755.90000111.5Y770Y770-S772 VanDerWaalsContact C-N 3.28Å; Y770-S772 PolarHBondContact O-N 2.96Å
773W38.1Very low41.5Very low246 Ų246131.4 Ų131.493%0.93268%0.677SS**  trans-52.8146.6179.5-124.4-54.3000113.4V775W773-V775 PolarHBondContact O-N 3.27Å
774F34.3Very low40.3Very low182 Ų182131 Ų13180%0.79868%0.678SS**  trans-36.5114.1173.2-72.5-93.8000115T776F774-T776 HydrophobicContact CD1-CG2 4.21Å
775V33.7Very low39.4Very low126 Ų126129.9 Ų129.976%0.76468%0.675SS**  trans-118.691141.7-179.50000105.6W773 D777W773-V775 PolarHBondContact O-N 3.27Å; V775-D777 PolarHBondContact O-N 3.18Å
776T32.8Very low39.1Very low109 Ų109129.9 Ų129.967%0.66968%0.682SS**  trans-80.29915844.60000105.5F774 E778F774-T776 HydrophobicContact CD1-CG2 4.21Å; T776-E778 PolarHBondContact O-N 2.95Å; T776-E778 VanDerWaalsContact O-N 3.11Å
777D27Very low39.1Very low136 Ų136131.5 Ų131.573%0.72769%0.692SS**  trans-59.8114.1155.7-89-21.9000105.9V775 V779V775-D777 PolarHBondContact O-N 3.18Å; D777-V779 PolarHBondContact O-N 3.17Å
778E29.5Very low39.7Very low170 Ų170134.3 Ų134.379%0.79469%0.691SS**  trans-59.897.6158.3-75.6-175.6154.400105.9T776 E780T776-E778 PolarHBondContact O-N 2.95Å; T776-E778 VanDerWaalsContact O-N 3.11Å; E778-E780 PolarHBondContact O-N 3.49Å
779V30.1Very low40.5Very low129 Ų129133.4 Ų133.478%0.78268%0.679SS**  trans-71.375.1158.3-172.30000105.4D777 A781D777-V779 PolarHBondContact O-N 3.17Å; V779-A781 PolarHBondContact O-N 3.26Å
780E24.6Very low41.4Very low149 Ų149133.3 Ų133.370%0.69668%0.675SS**  trans-57.5100.3149.9-113.1179168.900104.6E778 E782E778-E780 PolarHBondContact O-N 3.49Å; E780-E782 PolarHBondContact O-N 2.94Å
781A27.9Very low42.6Very low79 Ų79125.9 Ų125.965%0.65365%0.647SS**  trans-64.878.4157.200000105.7V779 V783V779-A781 PolarHBondContact O-N 3.26Å; A781-V783 HydrophobicContact CB-CG2 4.31Å; A781-V783 PolarHBondContact O-N 3.4Å
782E28.1Very low44.1Very low138 Ų138118.3 Ų118.365%0.64561%0.614SS**  trans-61.582.5153.4-79.7-164.5153.300105.6E780 I784E780-E782 PolarHBondContact O-N 2.94Å; E782-I784 HydrophobicContact CB-CG1 4.37Å; E782-I784 PolarHBondContact O-N 3.3Å
783V34.2Very low45.8Very low90 Ų90114.5 Ų114.555%0.54559%0.586SS.*  trans-65.381.1156.8-178.30000104.3A781 E785A781-V783 HydrophobicContact CB-CG2 4.31Å; A781-V783 PolarHBondContact O-N 3.4Å; V783-E785 HydrophobicContact CG1-CB 3.96Å; V783-E785 HydrophobicContact CG1-CG 3.44Å; V783-E785 VanDerWaalsContact CG1-CG 3.44Å; V783-E785 PolarHBondContact O-N 3.02Å
784I36.6Very low47.8Very low121 Ų121104.1 Ų104.162%0.62155%0.549SS*.  trans-64.774.9152.9-55.4175.1000104.2K51 E782 S786K51-I784 PolarHBondContact NZ-O 3.35Å; E782-I784 HydrophobicContact CB-CG1 4.37Å; E782-I784 PolarHBondContact O-N 3.3Å; I784-S786 PolarHBondContact O-N 3.07Å
785E42.9Very low50.1Low111 Ų11196 Ų9652%0.51951%0.513SS..  trans-58.6126.5161-106.2161.1176.500104.8R725 V783 K787R725-E785 IonicContact CZ-OE2 3.44Å; R725-E785 IonicContact NH1-OE1 3.56Å; R725-E785 IonicContact NH1-OE2 2.63Å; R725-E785 PolarHBondContact NH1-OE2 3.46Å; R725-E785 IonicContact NH2-OE2 3.54Å; V783-E785 HydrophobicContact CG1-CB 3.96Å; V783-E785 HydrophobicContact CG1-CG 3.44Å; V783-E785 VanDerWaalsContact CG1-CG 3.44Å; V783-E785 PolarHBondContact O-N 3.02Å; E785-K787 PolarHBondContact O-N 3.47Å
786S49.4Very low52.7Low88 Ų8890.9 Ų90.962%0.61548%0.483SS*.  trans-49.4129.9171.448.40000108.1I784 E788I784-S786 PolarHBondContact O-N 3.07Å; S786-E788 PolarHBondContact O-N 3.09Å; S786-E788 PolarHBondContact OG-O 2.95Å
787K57.2Low55.5Low187 Ų18785.8 Ų85.881%0.81345%0.451SS*.SBendtrans-56.1-19.3176.4-73.8-177.5176.2179.60112.2R725 E785R725-K787 PolarHBondContact N-O 3.12Å; R725-K787 VanDerWaalsContact N-O 3.14Å; E785-K787 PolarHBondContact O-N 3.47Å
788E65.5Low58.6Low111 Ų11179.3 Ų79.352%0.51942%0.416SS..EExtended strand (participates in β ladder)trans-106.2134.1-177-72.9171-159.200111.5V722 S786V722-E788 HydrophobicContact CG1-CB 3.53Å; V722-E788 HydrophobicContact CG1-CG 3.76Å; S786-E788 PolarHBondContact O-N 3.09Å; S786-E788 PolarHBondContact OG-O 2.95Å
789R69.9Low61.6Low104 Ų10473.2 Ų73.239%0.39239%0.387SS..EExtended strand (participates in β ladder)trans-125.3153.7174.363.3175.2179.6171.61.7110.4C723 C791C723-R789 PolarHBondContact N-O 2.69Å; C723-R789 PolarHBondContact O-N 3.45Å; R789-C791 PolarHBondContact O-N 2.79Å
790S71.8Confident64.5Low65 Ų6569 Ų6946%0.45536%0.358SS..EExtended strand (participates in β ladder)trans-67.2133.8170.252.70000109.2
791C76.3Confident67.3Low8 Ų862.3 Ų62.35%0.05433%0.327CS..EExtended strand (participates in β ladder)trans-140.7168.1178.463.80000110S721 V722 C723 R789S721-C791 PolarHBondContact O-N 3.33Å; S721-C791 VanDerWaalsContact O-N 3.08Å; S721-C791 PolarHBondContact OG-O 2.88Å; S721-C791 PolarHBondContact OG-SG 3.38Å; V722-C791 VanDerWaalsContact C-SG 3.52Å; C723-C791 VanDerWaalsContact CA-SG 3.58Å; C723-C791 HydrophobicContact CB-CB 3.55Å; C723-C791 WeakPolarHBondContact CB-SG 3.45Å; C723-C791 PolarHBondContact N-SG 3.1Å; C723-C791 WeakPolarHBondContact SG-CB 3.28Å; C723-C791 CovalentContact SG-SG 2Å; C723-C791 PolarHBondContact SG-SG 2.79Å; R789-C791 PolarHBondContact O-N 2.79Å
792V76Confident69.4Low40 Ų4065.3 Ų65.324%0.24233%0.332CS..EExtended strand (participates in β ladder)trans-98.3123170.1-172.90000107F717 D718 Y719F717-V792 HydrophobicContact CB-CG1 4.09Å; F717-V792 HydrophobicContact CD1-CG1 4.14Å; D718-V792 WeakPolarHBondContact O-CA 3.4Å; Y719-V792 HydrophobicContact CD1-CB 4.33Å; Y719-V792 HydrophobicContact CD1-CG1 3.79Å; Y719-V792 HydrophobicContact CD1-CG2 3.58Å; Y719-V792 HydrophobicContact CE1-CG1 3.8Å; Y719-V792 HydrophobicContact CE1-CG2 4.02Å; Y719-V792 HydrophobicContact CG-CG1 4.44Å
793M76.1Confident71.3Confident16 Ų1661.4 Ų61.48%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-105.7130.6175.7-75.7-73.4-71.100109.4D718 S721 C723 N852 K854D718-M793 PolarHBondContact N-O 2.86Å; D718-M793 PolarHBondContact O-N 2.84Å; S721-M793 WeakPolarHBondContact OG-CB 3.39Å; S721-M793 WeakPolarHBondContact OG-CG 3.47Å; S721-M793 PolarHBondContact OG-N 3.36Å; C723-M793 VanDerWaalsContact SG-SD 3.64Å; M793-N852 HydrophobicContact CE-CB 3.98Å; M793-K854 HydrophobicContact CE-CG 4.23Å
794I79.9Confident72.8Confident27 Ų2760.1 Ų60.114%0.13831%0.311CS..EExtended strand (participates in β ladder)trans-85121.7173.1-55.7176.7000107.1Q715 F717 K857Q715-I794 HydrophobicContact CB-CG2 4.41Å; F717-I794 HydrophobicContact CD1-CG1 3.86Å; F717-I794 HydrophobicContact CE1-CD1 4.03Å; F717-I794 HydrophobicContact CE1-CG1 3.76Å; I794-K857 HydrophobicContact CD1-CB 4.26Å; I794-K857 HydrophobicContact CD1-CD 3.84Å; I794-K857 HydrophobicContact CD1-CG 4.08Å
795Q83.7Confident74.3Confident11 Ų1158.6 Ų58.65%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-108.9131177.5-59.9-173.6-14.700109.3E403 Q715 S716 D718E403-Q795 VanDerWaalsContact CD-NE2 3.28Å; E403-Q795 PolarHBondContact OE1-NE2 2.88Å; E403-Q795 PolarHBondContact OE1-OE1 2.91Å; E403-Q795 PolarHBondContact OE2-NE2 3.11Å; Q715-Q795 CarbonylContact C-O 3.53Å; Q715-Q795 WeakPolarHBondContact CA-O 3.35Å; S716-Q795 PolarHBondContact N-O 2.89Å; S716-Q795 PolarHBondContact O-N 2.9Å; D718-Q795 HydrophobicContact CB-CG 4.5Å
796T87.4Confident75.9Confident20 Ų2056.3 Ų56.312%0.12330%0.3CS..EExtended strand (participates in β ladder)trans-111.1132.1179.5-610000108.1R713 Q715 Y798 Q850R713-T796 VanDerWaalsContact CD-CG2 3.42Å; R713-T796 HydrophobicContact CG-CG2 3.39Å; Q715-T796 HydrophobicContact CG-CG2 4.41Å; T796-Y798 HydrophobicContact CG2-CD2 4.49Å; T796-Y798 HydrophobicContact CG2-CE2 3.79Å; T796-Q850 WeakPolarHBondContact O-CG 3.39Å; T796-Q850 PolarHBondContact O-NE2 2.87Å
797Q91.1Very high77.2Confident2 Ų255.6 Ų55.61%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-129.6148.2172.3-65.984.81600110.3E403 I406 R713 K714 S716E403-Q797 WeakPolarHBondContact O-CG 3.12Å; E403-Q797 PolarHBondContact O-NE2 3.32Å; I406-Q797 HydrophobicContact CD1-CB 3.56Å; I406-Q797 HydrophobicContact CD1-CG 4.32Å; I406-Q797 HydrophobicContact CG1-CB 3.72Å; I406-Q797 HydrophobicContact CG1-CG 4.23Å; R713-Q797 WeakPolarHBondContact CA-O 3.47Å; K714-Q797 PolarHBondContact N-O 3.01Å; K714-Q797 PolarHBondContact O-N 3.11Å; S716-Q797 PolarHBondContact OG-OE1 3.17Å
798Y92.2Very high78.5Confident0 Ų052.3 Ų52.30%028%0.275CS..EExtended strand (participates in β ladder)trans-110.7149175-63.6-94.2000110.2F693 M702 Y706 K712 R713 T796 Q850F693-Y798 HydrophobicContact CE1-CE2 4.09Å; F693-Y798 AromaticContact CE2-CD2 3.48Å; F693-Y798 HydrophobicContact CE2-CD2 3.48Å; F693-Y798 VanDerWaalsContact CE2-CD2 3.48Å; F693-Y798 AromaticContact CE2-CE2 3.78Å; F693-Y798 HydrophobicContact CE2-CE2 3.78Å; F693-Y798 HydrophobicContact CE2-CG 4.18Å; F693-Y798 AromaticContact CZ-CD2 3.48Å; F693-Y798 HydrophobicContact CZ-CD2 3.48Å; F693-Y798 VanDerWaalsContact CZ-CD2 3.48Å; F693-Y798 AromaticContact CZ-CE2 3.29Å; F693-Y798 HydrophobicContact CZ-CE2 3.29Å; F693-Y798 HydrophobicContact CZ-CG 4.19Å; F693-Y798 AromaticContact CZ-CZ 3.86Å; M702-Y798 HydrophobicContact CE-CD1 3.86Å; M702-Y798 HydrophobicContact CE-CD2 4.46Å; M702-Y798 HydrophobicContact CE-CE1 4.22Å; M702-Y798 HydrophobicContact CE-CG 3.99Å; Y706-Y798 HydrophobicContact CD2-CE1 4.19Å; Y706-Y798 HydrophobicContact CE2-CE1 4.46Å; K712-Y798 VanDerWaalsContact O-CA 3.3Å; K712-Y798 WeakPolarHBondContact O-CA 3.22Å; R713-Y798 HydrophobicContact CB-CD1 4.05Å; R713-Y798 HydrophobicContact CB-CE1 3.71Å; R713-Y798 WeakPolarHBondContact CD-OH 3.42Å; R713-Y798 HydrophobicContact CG-CD1 4.49Å; R713-Y798 HydrophobicContact CG-CE1 3.95Å; T796-Y798 HydrophobicContact CG2-CD2 4.49Å; T796-Y798 HydrophobicContact CG2-CE2 3.79Å; Y798-Q850 HydrophobicContact CD2-CB 4.43Å; Y798-Q850 HydrophobicContact CD2-CG 4.23Å; Y798-Q850 HydrophobicContact CE2-CB 4.2Å; Y798-Q850 HydrophobicContact CE2-CG 4.33Å
799Y92.8Very high79.4Confident42 Ų4247.3 Ų47.317%0.16525%0.252CS..EExtended strand (participates in β ladder)trans-150.9158.717566-79.5000110L397 I406 D674 Y711 K712 K714L397-Y799 HydrophobicContact CD1-CE1 4.22Å; L397-Y799 HydrophobicContact CD2-CD2 4.42Å; L397-Y799 HydrophobicContact CD2-CE2 4.02Å; I406-Y799 HydrophobicContact CB-CD1 4.31Å; I406-Y799 HydrophobicContact CB-CG 4.47Å; I406-Y799 HydrophobicContact CG2-CD1 4.27Å; I406-Y799 HydrophobicContact CG2-CG 4.39Å; I406-Y799 WeakPolarHBondContact O-CB 3.27Å; D674-Y799 VanDerWaalsContact O-CA 3.32Å; D674-Y799 WeakPolarHBondContact O-CA 3.49Å; Y711-Y799 WeakPolarHBondContact CA-O 3.27Å; K712-Y799 HydrophobicContact CB-CD1 4.28Å; K712-Y799 HydrophobicContact CB-CE1 3.7Å; K712-Y799 HydrophobicContact CB-CE2 4.07Å; K712-Y799 HydrophobicContact CD-CE2 4.15Å; K712-Y799 PolarHBondContact N-O 2.92Å; K712-Y799 WeakPolarHBondContact O-CD1 3.28Å; K712-Y799 PolarHBondContact O-N 3.32Å; K714-Y799 HydrophobicContact CB-CE1 4.18Å
800F90.8Very high80.2Confident41 Ų4148 Ų4818%0.1826%0.263CS..EExtended strand (participates in β ladder)trans-66.1141.3179.4-77.5-31.2000113.6D674 Y711 N829 L831D674-F800 VanDerWaalsContact CA-CZ 3.48Å; D674-F800 HydrophobicContact CB-CD2 3.44Å; D674-F800 VanDerWaalsContact CB-CD2 3.44Å; D674-F800 HydrophobicContact CB-CE1 4.47Å; D674-F800 HydrophobicContact CB-CE2 3.39Å; D674-F800 HydrophobicContact CB-CG 4.04Å; D674-F800 HydrophobicContact CB-CZ 3.92Å; Y711-F800 HydrophobicContact CD1-CD1 4.05Å; Y711-F800 HydrophobicContact CD1-CE1 4.29Å; Y711-F800 AromaticContact CE1-CD1 3.64Å; Y711-F800 HydrophobicContact CE1-CD1 3.64Å; Y711-F800 AromaticContact CE1-CE1 3.45Å; Y711-F800 HydrophobicContact CE1-CE1 3.45Å; Y711-F800 VanDerWaalsContact CE1-CE1 3.45Å; Y711-F800 HydrophobicContact CE1-CZ 4.46Å; Y711-F800 AromaticContact CZ-CE1 3.61Å; Y711-F800 WeakPolarHBondContact OH-CE1 3.44Å; F800-N829 WeakPolarHBondContact CE2-O 3.48Å; F800-L831 HydrophobicContact CE1-CB 4.08Å; F800-L831 HydrophobicContact CE1-CD2 4.39Å; F800-L831 HydrophobicContact CZ-CB 3.82Å
801S83.9Confident80.8Confident7 Ų745.6 Ų45.65%0.04925%0.245CC..  trans-83.4169.1167.3770000112.7S709 F710 L803 R824S709-S801 WeakPolarHBondContact O-CB 3.49Å; S709-S801 PolarHBondContact O-OG 2.85Å; F710-S801 PolarHBondContact O-N 2.74Å; F710-S801 PolarHBondContact O-OG 2.82Å; S801-L803 PolarHBondContact O-N 3Å; S801-L803 WeakPolarHBondContact OG-CD1 3.47Å; S801-L803 WeakPolarHBondContact OG-CG 3.42Å; S801-R824 VanDerWaalsContact O-CZ 3.3Å; S801-R824 PolarHBondContact O-NH1 3.17Å; S801-R824 PolarHBondContact O-NH2 3.42Å
802N72.6Confident81.2Confident142 Ų14250.7 Ų50.776%0.75927%0.271SS*.SBendtrans-75.522.2177.1-76.7-22.9000114.9
803L66.1Low81.5Confident57 Ų5750.5 Ų50.530%0.29827%0.271SS..  trans-75165.2-178-71.8170.6000113.7N708 S709 S801 Y807N708-L803 WeakPolarHBondContact O-CD1 3.4Å; S709-L803 VanDerWaalsContact C-CD1 3.5Å; S709-L803 WeakPolarHBondContact O-CD1 3.37Å; S801-L803 PolarHBondContact O-N 3Å; S801-L803 WeakPolarHBondContact OG-CD1 3.47Å; S801-L803 WeakPolarHBondContact OG-CG 3.42Å; L803-Y807 HydrophobicContact CB-CE2 3.97Å; L803-Y807 WeakPolarHBondContact CD2-OH 3.2Å
804S65.8Low81.7Confident63 Ų6352.6 Ų52.644%0.44130%0.297SS..  trans-65.7164.4-177.276.60000113.4S806 Y807S804-S806 VanDerWaalsContact C-N 3.3Å; S804-S806 PolarHBondContact O-N 3.26Å; S804-Y807 PolarHBondContact N-OH 3.29Å; S804-Y807 WeakPolarHBondContact O-CE2 3.4Å; S804-Y807 WeakPolarHBondContact OG-CE2 3.44Å; S804-Y807 PolarHBondContact OG-OH 2.88Å
805N67.9Low81.8Confident88 Ų8859.6 Ų59.647%0.47134%0.335SS..SBendtrans-70.1-15.6-167-72.6-3.2000115.4K823 R824N805-K823 CarbonylContact O-C 3.54Å; N805-K823 VanDerWaalsContact O-CA 3.3Å; N805-K823 WeakPolarHBondContact O-CA 3.23Å; N805-R824 PolarHBondContact O-N 3.26Å
806S77.4Confident81.9Confident63 Ų6359.8 Ų59.844%0.44134%0.337SS..EExtended strand (participates in β ladder)trans-151.5135.1-176.960.40000113.6S804 A822S804-S806 VanDerWaalsContact C-N 3.3Å; S804-S806 PolarHBondContact O-N 3.26Å; S806-A822 CarbonylContact C-O 3.59Å; S806-A822 VanDerWaalsContact CA-O 3.28Å; S806-A822 WeakPolarHBondContact CA-O 3.47Å
807Y77.3Confident81.8Confident74 Ų7461.9 Ų61.929%0.2935%0.353SS..EExtended strand (participates in β ladder)trans-136.4149.3173.1-66.3-106.3000112F710 L803 S804 A822F710-Y807 HydrophobicContact CE1-CD2 4.02Å; F710-Y807 AromaticContact CE2-CD2 3.72Å; F710-Y807 HydrophobicContact CE2-CD2 3.72Å; F710-Y807 AromaticContact CE2-CG 3.78Å; F710-Y807 HydrophobicContact CE2-CG 3.78Å; F710-Y807 AromaticContact CZ-CD2 3.25Å; F710-Y807 HydrophobicContact CZ-CD2 3.25Å; F710-Y807 HydrophobicContact CZ-CE2 4.2Å; F710-Y807 AromaticContact CZ-CG 3.66Å; F710-Y807 HydrophobicContact CZ-CG 3.66Å; L803-Y807 HydrophobicContact CB-CE2 3.97Å; L803-Y807 WeakPolarHBondContact CD2-OH 3.2Å; S804-Y807 PolarHBondContact N-OH 3.29Å; S804-Y807 WeakPolarHBondContact O-CE2 3.4Å; S804-Y807 WeakPolarHBondContact OG-CE2 3.44Å; S804-Y807 PolarHBondContact OG-OH 2.88Å; Y807-A822 PolarHBondContact N-O 2.84Å; Y807-A822 PolarHBondContact O-N 2.94Å
808N83.8Confident81.6Confident117 Ų11761.9 Ų61.963%0.62635%0.353SS*.EExtended strand (participates in β ladder)trans-103.5124.6163.8-62.8-12.9000107.3I820 H821N808-I820 CarbonylContact C-O 3.31Å; N808-I820 WeakPolarHBondContact CA-O 3.28Å; N808-H821 PolarHBondContact OD1-CE1 3.33Å; N808-H821 PolarHBondContact OD1-ND1 3.11Å
809I84.4Confident81.5Confident7 Ų765.3 Ų65.34%0.03637%0.371CS..EExtended strand (participates in β ladder)trans-117.7129.4-179.2-54.4168000107L705 N708 F710 I820L705-I809 HydrophobicContact CD2-CD1 4.1Å; N708-I809 HydrophobicContact CB-CD1 3.99Å; N708-I809 HydrophobicContact CB-CG1 4.4Å; N708-I809 WeakPolarHBondContact ND2-CG2 3.34Å; F710-I809 HydrophobicContact CD2-CD1 4.14Å; F710-I809 HydrophobicContact CE2-CD1 3.77Å; F710-I809 HydrophobicContact CE2-CG1 4.47Å; I809-I820 HydrophobicContact CB-CB 4.21Å; I809-I820 PolarHBondContact N-O 2.95Å; I809-I820 PolarHBondContact O-N 3.46Å
810L87.1Confident81.3Confident118 Ų11863.3 Ų63.362%0.61836%0.363SS*.EExtended strand (participates in β ladder)trans-97114.5165.5-176.170.8000107.4L819L810-L819 HydrophobicContact CD1-CD1 4.43Å
811Q84.9Confident81.2Confident15 Ų1563.4 Ų63.47%0.0736%0.364CS..EExtended strand (participates in β ladder)trans-93.6116.9172.6176.9168.720.600108.6N700 A704 S817 R818 I820N700-Q811 PolarHBondContact O-NE2 3.32Å; N700-Q811 PolarHBondContact O-OE1 2.89Å; A704-Q811 HydrophobicContact CB-CB 4.4Å; A704-Q811 HydrophobicContact CB-CG 4.36Å; Q811-S817 CarbonylContact O-C 3.55Å; Q811-S817 WeakPolarHBondContact O-CA 3.23Å; Q811-S817 WeakPolarHBondContact O-CB 3.33Å; Q811-R818 HydrophobicContact CB-CG 3.98Å; Q811-R818 PolarHBondContact N-O 2.9Å; Q811-R818 PolarHBondContact O-N 3.07Å; Q811-R818 VanDerWaalsContact OE1-CZ 3.26Å; Q811-I820 HydrophobicContact CB-CD1 3.95Å
812D84.3Confident81.5Confident114 Ų11463.1 Ų63.161%0.6136%0.362SS*.EExtended strand (participates in β ladder)trans-107.6122176.3-172.53.1000109.8G814D812-G814 WeakPolarHBondContact OD1-CA 3.38Å; D812-G814 PolarHBondContact OD1-N 2.77Å
813C82.3Confident82.2Confident36 Ų3661.6 Ų61.624%0.24335%0.348CS..  trans-108.921.4175.1-68.90000111.8N815 C816 C843C813-N815 PolarHBondContact O-N 2.95Å; C813-N815 VanDerWaalsContact O-N 3.15Å; C813-C816 VanDerWaalsContact CB-SG 3.54Å; C813-C816 PolarHBondContact N-O 3.2Å; C813-C843 HydrophobicContact CB-CB 3.83Å; C813-C843 WeakPolarHBondContact CB-SG 3.31Å; C813-C843 WeakPolarHBondContact SG-CB 3.1Å; C813-C843 CovalentContact SG-SG 2.03Å; C813-C843 PolarHBondContact SG-SG 3.44Å
814G80.3Confident83.3Confident61 Ų6160.7 Ų60.763%0.62934%0.341SS*.SBendtrans88-62.9177.700000112.8D812D812-G814 WeakPolarHBondContact OD1-CA 3.38Å; D812-G814 PolarHBondContact OD1-N 2.77Å
815N81.6Confident84.4Confident173 Ų17361 Ų6193%0.92534%0.337SS*.SBendtrans-94.7-10.4-178.6-72.2-7.8000113.8C813C813-N815 PolarHBondContact O-N 2.95Å; C813-N815 VanDerWaalsContact O-N 3.15Å
816C85.1Confident85.3Confident15 Ų1562.2 Ų62.210%0.10134%0.343CS..  trans-147.2142.9-174.445.30000107.3C813 P839 C840C813-C816 VanDerWaalsContact CB-SG 3.54Å; C813-C816 PolarHBondContact N-O 3.2Å; C816-P839 HydrophobicContact CB-CG 4.01Å; C816-C840 HydrophobicContact CB-CB 3.71Å; C816-C840 WeakPolarHBondContact CB-SG 2.98Å; C816-C840 WeakPolarHBondContact SG-CB 3.24Å; C816-C840 CovalentContact SG-SG 2.02Å; C816-C840 PolarHBondContact SG-SG 2.67Å
817S86.6Confident85.9Confident64 Ų6465.4 Ų65.445%0.44836%0.356SS..EExtended strand (participates in β ladder)trans-130.4153.1169.564.40000109.1Q811Q811-S817 CarbonylContact O-C 3.55Å; Q811-S817 WeakPolarHBondContact O-CA 3.23Å; Q811-S817 WeakPolarHBondContact O-CB 3.33Å
818R87.6Confident86.6Confident2 Ų263.7 Ų63.71%0.00835%0.353CS..EExtended strand (participates in β ladder)trans-133.9143.4170.565.1171174.3-172.1-6.1110.5D698 N700 L701 Q811 I820 E836 L838D698-R818 IonicContact OD1-CZ 3.5Å; D698-R818 IonicContact OD1-NH1 3.35Å; D698-R818 IonicContact OD1-NH2 3.84Å; D698-R818 PolarHBondContact OD1-NH2 2.79Å; D698-R818 IonicContact OD2-CZ 3.57Å; D698-R818 IonicContact OD2-NH1 2.85Å; D698-R818 PolarHBondContact OD2-NH1 3.06Å; D698-R818 IonicContact OD2-NH2 2.88Å; D698-R818 PolarHBondContact OD2-NH2 2.91Å; N700-R818 VanDerWaalsContact CB-NH2 3.35Å; L701-R818 VanDerWaalsContact CB-NH2 3.31Å; Q811-R818 HydrophobicContact CB-CG 3.98Å; Q811-R818 PolarHBondContact N-O 2.9Å; Q811-R818 PolarHBondContact O-N 3.07Å; Q811-R818 VanDerWaalsContact OE1-CZ 3.26Å; R818-I820 HydrophobicContact CG-CD1 4.36Å; R818-I820 HydrophobicContact CG-CG1 4.25Å; R818-E836 HydrophobicContact CB-CB 4.1Å; R818-E836 WeakPolarHBondContact CD-O 3.03Å; R818-L838 HydrophobicContact CB-CD1 3.93Å; R818-L838 HydrophobicContact CG-CD1 3.75Å
819L88.4Confident87Confident72 Ų7258.7 Ų58.738%0.37733%0.326SS..EExtended strand (participates in β ladder)trans-84.8137.3169.1-157.698.1000110.2L810 A835 E836L810-L819 HydrophobicContact CD1-CD1 4.43Å; L819-A835 WeakPolarHBondContact O-CA 3.12Å; L819-E836 HydrophobicContact CB-CG 4.4Å; L819-E836 PolarHBondContact N-OE2 2.81Å; L819-E836 PolarHBondContact O-N 3.28Å
820I89.7Confident87.3Confident0 Ų058.5 Ų58.50%033%0.325CS..EExtended strand (participates in β ladder)trans-127.6127.2176.7-57.5156.8000108.5L701 A704 N808 I809 Q811 R818 V833 V834 A835L701-I820 HydrophobicContact CD1-CD1 3.6Å; L701-I820 HydrophobicContact CD1-CG1 3.94Å; L701-I820 HydrophobicContact CD1-CG2 3.85Å; A704-I820 HydrophobicContact CB-CD1 3.97Å; N808-I820 CarbonylContact C-O 3.31Å; N808-I820 WeakPolarHBondContact CA-O 3.28Å; I809-I820 HydrophobicContact CB-CB 4.21Å; I809-I820 PolarHBondContact N-O 2.95Å; I809-I820 PolarHBondContact O-N 3.46Å; Q811-I820 HydrophobicContact CB-CD1 3.95Å; R818-I820 HydrophobicContact CG-CD1 4.36Å; R818-I820 HydrophobicContact CG-CG1 4.25Å; I820-V833 HydrophobicContact CG2-CG1 3.67Å; I820-V834 CarbonylContact C-O 3.58Å; I820-V834 WeakPolarHBondContact CA-O 3.1Å; I820-A835 HydrophobicContact CG1-CB 3.92Å; I820-A835 HydrophobicContact CG2-CB 4.45Å
821H89.1Confident87.5Confident44 Ų4452.9 Ų52.920%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-109.1117.9170.3-173.868.7000109.6M658 N808 V833 V834M658-H821 HydrophobicContact CE-CB 4.19Å; N808-H821 PolarHBondContact OD1-CE1 3.33Å; N808-H821 PolarHBondContact OD1-ND1 3.11Å; H821-V833 CarbonylContact O-C 3.52Å; H821-V833 WeakPolarHBondContact O-CA 3.48Å; H821-V834 HydrophobicContact CB-CB 4.43Å; H821-V834 PolarHBondContact N-O 2.84Å; H821-V834 PolarHBondContact O-N 2.91Å
822A89.5Confident87.8Confident0 Ų054.4 Ų54.40%030%0.302CS..EExtended strand (participates in β ladder)trans-119.4128.4179.300000110.3L705 F710 S806 Y807 L831 F832 V833L705-A822 HydrophobicContact CD2-CB 4.13Å; F710-A822 HydrophobicContact CE1-CB 3.94Å; F710-A822 HydrophobicContact CE2-CB 4.36Å; F710-A822 HydrophobicContact CZ-CB 3.71Å; S806-A822 CarbonylContact C-O 3.59Å; S806-A822 VanDerWaalsContact CA-O 3.28Å; S806-A822 WeakPolarHBondContact CA-O 3.47Å; Y807-A822 PolarHBondContact N-O 2.84Å; Y807-A822 PolarHBondContact O-N 2.94Å; A822-L831 HydrophobicContact CB-CD1 4.35Å; A822-F832 CarbonylContact C-O 3.56Å; A822-F832 WeakPolarHBondContact CA-O 3.18Å; A822-V833 HydrophobicContact CB-CG2 4.04Å
823K88.1Confident88.1Confident111 Ų11149 Ų4948%0.48327%0.273SS..EExtended strand (participates in β ladder)trans-137127.3-178.7-174.8176.3-178.8-179.70111.8N805 F832N805-K823 CarbonylContact O-C 3.54Å; N805-K823 VanDerWaalsContact O-CA 3.3Å; N805-K823 WeakPolarHBondContact O-CA 3.23Å; K823-F832 PolarHBondContact N-O 3.08Å; K823-F832 PolarHBondContact O-N 3.49Å
824R88.7Confident88.5Confident38 Ų3847.6 Ų47.614%0.14326%0.263CS..EExtended strand (participates in β ladder)trans-75.3137.5173.8-70-174.1179.2171.85.1110.9F710 S801 N805 L831F710-R824 PolarHBondContact O-NH2 3.13Å; S801-R824 VanDerWaalsContact O-CZ 3.3Å; S801-R824 PolarHBondContact O-NH1 3.17Å; S801-R824 PolarHBondContact O-NH2 3.42Å; N805-R824 PolarHBondContact O-N 3.26Å; R824-L831 HydrophobicContact CG-CD1 3.66Å
825I88.6Confident88.9Confident70 Ų7044.7 Ų44.736%0.35923%0.233SC..PPolyproline II helixtrans-84.7129.8175.9-59.2-178.7000108.6L671 T828 L830 F832L671-I825 HydrophobicContact CD1-CD1 3.71Å; I825-T828 WeakPolarHBondContact CB-OG1 3.44Å; I825-T828 HydrophobicContact CG2-CG2 4.23Å; I825-T828 PolarHBondContact O-OG1 2.68Å; I825-L830 HydrophobicContact CB-CB 4.41Å; I825-L830 HydrophobicContact CD1-CB 4.05Å; I825-L830 HydrophobicContact CD1-CD1 4.45Å; I825-L830 HydrophobicContact CG1-CB 4.45Å; I825-L830 PolarHBondContact N-O 3.22Å; I825-F832 HydrophobicContact CD1-CB 4.4Å; I825-F832 HydrophobicContact CG1-CB 4.38Å
826N87.6Confident89.2Confident113 Ų11340.5 Ų40.560%0.60421%0.209SC*.THydrogen-bonded Turntrans-66.6142.3-179.2-69.8-8.6000111T828N826-T828 PolarHBondContact O-N 3.03Å
827N88.6Confident89.2Confident130 Ų13045 Ų4570%0.69523%0.226SC*.THydrogen-bonded Turntrans63.319.7179.1-57.4-20.5000115.4G587 Y588G587-N827 WeakPolarHBondContact CA-O 2.99Å; Y588-N827 PolarHBondContact N-O 3.02Å
828T91.5Very high89Confident38 Ų3843.2 Ų43.223%0.23321%0.212CC..BIsolated β-bridgetrans-139.1169.4173.274.10000111.1Y588 F590 I825 N826 L830Y588-T828 VanDerWaalsContact O-CA 3.32Å; Y588-T828 WeakPolarHBondContact O-CA 3.48Å; F590-T828 HydrophobicContact CE2-CG2 3.84Å; I825-T828 WeakPolarHBondContact CB-OG1 3.44Å; I825-T828 HydrophobicContact CG2-CG2 4.23Å; I825-T828 PolarHBondContact O-OG1 2.68Å; N826-T828 PolarHBondContact O-N 3.03Å; T828-L830 VanDerWaalsContact C-N 3.26Å; T828-L830 WeakPolarHBondContact OG1-CB 3.27Å; T828-L830 PolarHBondContact OG1-N 3.47Å
829N92.4Very high88.5Confident11 Ų1148.4 Ų48.46%0.05925%0.245CC..SBendtrans-8920.5170.967.6-39.5000113.1I589 F590 D673 D674 F800I589-N829 HydrophobicContact CD1-CB 4.28Å; F590-N829 PolarHBondContact N-OD1 3.08Å; F590-N829 PolarHBondContact O-ND2 2.9Å; D673-N829 CarbonylContact C-O 3.59Å; D674-N829 HydrophobicContact CB-CB 4.16Å; D674-N829 PolarHBondContact N-O 3.39Å; D674-N829 VanDerWaalsContact N-O 3.12Å; D674-N829 PolarHBondContact OD1-ND2 2.94Å; F800-N829 WeakPolarHBondContact CE2-O 3.48Å
830L92.4Very high87.9Confident4 Ų446.6 Ų46.62%0.02124%0.239CC..  trans-99.2140.6-174-63.2173.1000112.8F590 W640 L671 I672 D673 I679 I825 T828F590-L830 HydrophobicContact CB-CD2 3.76Å; F590-L830 HydrophobicContact CB-CG 4.23Å; F590-L830 HydrophobicContact CD1-CD1 3.84Å; F590-L830 HydrophobicContact CD1-CD2 4.35Å; F590-L830 HydrophobicContact CD1-CG 4.44Å; F590-L830 HydrophobicContact CD2-CD1 3.54Å; F590-L830 HydrophobicContact CD2-CD2 4.2Å; F590-L830 HydrophobicContact CD2-CG 3.7Å; F590-L830 HydrophobicContact CE1-CD1 3.84Å; F590-L830 HydrophobicContact CE2-CD1 3.55Å; F590-L830 HydrophobicContact CE2-CG 4.18Å; F590-L830 HydrophobicContact CG-CD1 3.7Å; F590-L830 HydrophobicContact CG-CD2 3.85Å; F590-L830 HydrophobicContact CG-CG 3.87Å; F590-L830 HydrophobicContact CZ-CD1 3.71Å; W640-L830 HydrophobicContact CH2-CD1 4.49Å; L671-L830 HydrophobicContact CD1-CB 4.07Å; L671-L830 HydrophobicContact CD1-CD1 4.27Å; L671-L830 HydrophobicContact CD2-CD1 3.96Å; L671-L830 HydrophobicContact CG-CB 4.5Å; L671-L830 HydrophobicContact CG-CD1 4.24Å; L671-L830 HydrophobicContact CG-CD2 4.21Å; I672-L830 WeakPolarHBondContact O-CA 3.21Å; D673-L830 HydrophobicContact CB-CD2 4.47Å; I679-L830 HydrophobicContact CG1-CD2 4.02Å; I825-L830 HydrophobicContact CB-CB 4.41Å; I825-L830 HydrophobicContact CD1-CB 4.05Å; I825-L830 HydrophobicContact CD1-CD1 4.45Å; I825-L830 HydrophobicContact CG1-CB 4.45Å; I825-L830 PolarHBondContact N-O 3.22Å; T828-L830 VanDerWaalsContact C-N 3.26Å; T828-L830 WeakPolarHBondContact OG1-CB 3.27Å; T828-L830 PolarHBondContact OG1-N 3.47Å
831L91.4Very high86.9Confident0 Ų052.6 Ų52.60%028%0.281CS..EExtended strand (participates in β ladder)trans-111.4121.5169.4-176.671.9000108.9I672 L705 F710 Y711 F800 A822 R824 V833I672-L831 PolarHBondContact N-O 2.8Å; I672-L831 PolarHBondContact O-N 3.33Å; L705-L831 HydrophobicContact CD1-CD2 4.46Å; F710-L831 HydrophobicContact CD1-CD1 4.19Å; F710-L831 HydrophobicContact CD1-CD2 4.35Å; F710-L831 HydrophobicContact CE1-CD1 4.07Å; Y711-L831 HydrophobicContact CE2-CD2 4.21Å; F800-L831 HydrophobicContact CE1-CB 4.08Å; F800-L831 HydrophobicContact CE1-CD2 4.39Å; F800-L831 HydrophobicContact CZ-CB 3.82Å; A822-L831 HydrophobicContact CB-CD1 4.35Å; R824-L831 HydrophobicContact CG-CD1 3.66Å; L831-V833 HydrophobicContact CD2-CG2 3.63Å; L831-V833 HydrophobicContact CG-CG2 3.68Å
832F90.9Very high85.7Confident47 Ų4755.1 Ų55.121%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-91.7124.3170.9180-123.8000109.5F644 C669 Y670 L671 A822 K823 I825 V834F644-F832 HydrophobicContact CE1-CE2 4.37Å; F644-F832 HydrophobicContact CE2-CD2 4.42Å; F644-F832 HydrophobicContact CE2-CE2 4.09Å; F644-F832 HydrophobicContact CZ-CD2 4.12Å; F644-F832 AromaticContact CZ-CE2 3.4Å; F644-F832 HydrophobicContact CZ-CE2 3.4Å; F644-F832 AromaticContact CZ-CZ 3.87Å; F644-F832 HydrophobicContact CZ-CZ 3.87Å; C669-F832 HydrophobicContact CB-CE2 4.21Å; C669-F832 HydrophobicContact CB-CZ 4.47Å; Y670-F832 WeakPolarHBondContact O-CD2 3.15Å; L671-F832 HydrophobicContact CD1-CB 4.3Å; L671-F832 HydrophobicContact CD1-CD2 4.49Å; A822-F832 CarbonylContact C-O 3.56Å; A822-F832 WeakPolarHBondContact CA-O 3.18Å; K823-F832 PolarHBondContact N-O 3.08Å; K823-F832 PolarHBondContact O-N 3.49Å; I825-F832 HydrophobicContact CD1-CB 4.4Å; I825-F832 HydrophobicContact CG1-CB 4.38Å; F832-V834 HydrophobicContact CD1-CG2 4.33Å; F832-V834 HydrophobicContact CE1-CG2 3.46Å; F832-V834 VanDerWaalsContact CE1-CG2 3.46Å; F832-V834 HydrophobicContact CE2-CG2 4.12Å; F832-V834 HydrophobicContact CZ-CG2 3.33Å
833V90.9Very high84.9Confident0 Ų056 Ų560%031%0.309CS..EExtended strand (participates in β ladder)trans-126.3127.9-177.5-176.20000109.5C669 Y670 I672 L701 L705 I820 H821 A822 L831C669-V833 WeakPolarHBondContact CA-O 3.4Å; Y670-V833 PolarHBondContact N-O 2.81Å; Y670-V833 PolarHBondContact O-N 3.18Å; I672-V833 HydrophobicContact CD1-CB 4.13Å; I672-V833 HydrophobicContact CD1-CG2 3.71Å; L701-V833 HydrophobicContact CD1-CG1 4.11Å; L701-V833 HydrophobicContact CD2-CG1 4.18Å; L705-V833 HydrophobicContact CD1-CG2 4.38Å; I820-V833 HydrophobicContact CG2-CG1 3.67Å; H821-V833 CarbonylContact O-C 3.52Å; H821-V833 WeakPolarHBondContact O-CA 3.48Å; A822-V833 HydrophobicContact CB-CG2 4.04Å; L831-V833 HydrophobicContact CD2-CG2 3.63Å; L831-V833 HydrophobicContact CG-CG2 3.68Å
834V89.6Confident84Confident6 Ų660.7 Ų60.74%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-114.5125.2171.4-177.30000107.1M658 L667 L668 I820 H821 F832M658-V834 HydrophobicContact SD-CG1 4Å; L667-V834 HydrophobicContact CD1-CG1 4.46Å; L667-V834 HydrophobicContact CD2-CG1 4.33Å; L668-V834 CarbonylContact O-C 3.55Å; L668-V834 WeakPolarHBondContact O-CA 3.41Å; I820-V834 CarbonylContact C-O 3.58Å; I820-V834 WeakPolarHBondContact CA-O 3.1Å; H821-V834 HydrophobicContact CB-CB 4.43Å; H821-V834 PolarHBondContact N-O 2.84Å; H821-V834 PolarHBondContact O-N 2.91Å; F832-V834 HydrophobicContact CD1-CG2 4.33Å; F832-V834 HydrophobicContact CE1-CG2 3.46Å; F832-V834 VanDerWaalsContact CE1-CG2 3.46Å; F832-V834 HydrophobicContact CE2-CG2 4.12Å; F832-V834 HydrophobicContact CZ-CG2 3.33Å
835A89Confident83.4Confident0 Ų061.1 Ų61.10%034%0.337CS..EExtended strand (participates in β ladder)trans-131.8142.5179.900000109.9L668 L701 L819 I820L668-A835 PolarHBondContact N-O 3.17Å; L668-A835 PolarHBondContact O-N 2.91Å; L701-A835 HydrophobicContact CD1-CB 4.27Å; L819-A835 WeakPolarHBondContact O-CA 3.12Å; I820-A835 HydrophobicContact CG1-CB 3.92Å; I820-A835 HydrophobicContact CG2-CB 4.45Å
836E87.8Confident82.9Confident86 Ų8662.2 Ų62.240%0.40234%0.341SS..EExtended strand (participates in β ladder)trans-67.5143.7166.8-66.4168.2166.600110L667 R818 L819 L838L667-E836 HydrophobicContact CD2-CG 3.94Å; R818-E836 HydrophobicContact CB-CB 4.1Å; R818-E836 WeakPolarHBondContact CD-O 3.03Å; L819-E836 HydrophobicContact CB-CG 4.4Å; L819-E836 PolarHBondContact N-OE2 2.81Å; L819-E836 PolarHBondContact O-N 3.28Å; E836-L838 PolarHBondContact O-N 2.77Å
837K85Confident82.5Confident109 Ų10961.9 Ų61.947%0.47434%0.339SS..PPolyproline II helixtrans-63.5123.5176.7-167.8171.3-173.7170.30109.4D665 D666 L668 P839D665-K837 WeakPolarHBondContact O-CD 3.43Å; D666-K837 PolarHBondContact O-N 2.74Å; L668-K837 HydrophobicContact CD1-CB 4.48Å; L668-K837 HydrophobicContact CD1-CG 4.4Å; L668-K837 HydrophobicContact CG-CB 4.38Å; K837-P839 WeakPolarHBondContact O-CD 3.36Å
838L81.4Confident82.3Confident27 Ų2755.8 Ų55.814%0.14131%0.306CS..PPolyproline II helixtrans-73.6122.1-176.2-165.673.6000109.8N700 R818 E836 C840N700-L838 HydrophobicContact CB-CD2 4.43Å; R818-L838 HydrophobicContact CB-CD1 3.93Å; R818-L838 HydrophobicContact CG-CD1 3.75Å; E836-L838 PolarHBondContact O-N 2.77Å; L838-C840 VanDerWaalsContact C-N 3.28Å; L838-C840 VanDerWaalsContact CD2-SG 3.59Å; L838-C840 WeakPolarHBondContact CG-SG 3.33Å; L838-C840 PolarHBondContact O-N 3.4Å
839P77Confident81.7Confident110 Ų11055.5 Ų55.571%0.71431%0.306SS*.  trans-81.3-3.8-174.330.5-34.5000114.2C816 K837C816-P839 HydrophobicContact CB-CG 4.01Å; K837-P839 WeakPolarHBondContact O-CD 3.36Å
840C76.8Confident80.9Confident35 Ų3556 Ų5624%0.23631%0.308CS..SBendtrans-111.5146.4-177.254.90000111.7C816 L838C816-C840 HydrophobicContact CB-CB 3.71Å; C816-C840 WeakPolarHBondContact CB-SG 2.98Å; C816-C840 WeakPolarHBondContact SG-CB 3.24Å; C816-C840 CovalentContact SG-SG 2.02Å; C816-C840 PolarHBondContact SG-SG 2.67Å; L838-C840 VanDerWaalsContact C-N 3.28Å; L838-C840 VanDerWaalsContact CD2-SG 3.59Å; L838-C840 WeakPolarHBondContact CG-SG 3.33Å; L838-C840 PolarHBondContact O-N 3.4Å
841S68.7Low79.4Confident126 Ų12661.2 Ų61.288%0.88134%0.336SS*.SBendtrans-84.6-13-169.345.90000115.4
842S63.5Low77.5Confident97 Ų9765.8 Ų65.868%0.67836%0.36SS*.  trans-165124.4177.652.40000112.5
843C73.4Confident75.3Confident18 Ų1868.2 Ų68.212%0.12238%0.375CS..  trans-95.7142.4162.6-49.50000108.1N700 C813 I845N700-C843 WeakPolarHBondContact OD1-CB 3.26Å; C813-C843 HydrophobicContact CB-CB 3.83Å; C813-C843 WeakPolarHBondContact CB-SG 3.31Å; C813-C843 WeakPolarHBondContact SG-CB 3.1Å; C813-C843 CovalentContact SG-SG 2.03Å; C813-C843 PolarHBondContact SG-SG 3.44Å; C843-I845 HydrophobicContact CB-CG2 4Å; C843-I845 PolarHBondContact O-N 2.68Å
844E69.3Low73.2Confident210 Ų21074.1 Ų74.198%0.98140%0.401SS*.  trans-7398169.7-70.7-174.5178.600108.8
845I75.4Confident70.9Confident46 Ų4677 Ų7724%0.23642%0.422CS..  trans-129.2155.9-179.254.1156.4000111.3P699 N700 Y703 C843 D847P699-I845 VanDerWaalsContact C-CD1 3.48Å; P699-I845 HydrophobicContact CB-CD1 3.87Å; P699-I845 WeakPolarHBondContact O-CD1 3.44Å; N700-I845 HydrophobicContact CB-CD1 4.47Å; N700-I845 WeakPolarHBondContact OD1-CD1 3.38Å; Y703-I845 HydrophobicContact CD1-CB 4.16Å; Y703-I845 HydrophobicContact CD1-CG2 3.68Å; Y703-I845 HydrophobicContact CD2-CB 4.35Å; Y703-I845 HydrophobicContact CE1-CG2 4.01Å; Y703-I845 HydrophobicContact CG-CB 4.06Å; Y703-I845 HydrophobicContact CG-CG2 4.07Å; C843-I845 HydrophobicContact CB-CG2 4Å; C843-I845 PolarHBondContact O-N 2.68Å; I845-D847 PolarHBondContact O-N 3.37Å
846E79.3Confident69Low93 Ų9379.7 Ų79.744%0.43544%0.438SS..  trans-62.7127.4168.9-175.1-176.1156.900108.8Y703 R713 L848Y703-E846 HydrophobicContact CD2-CB 4.3Å; Y703-E846 HydrophobicContact CE2-CB 4Å; R713-E846 IonicContact CZ-OE1 2.67Å; R713-E846 IonicContact NH1-OE1 3.42Å; R713-E846 PolarHBondContact NH1-OE1 3.12Å; R713-E846 IonicContact NH2-OE1 3.59Å; R713-E846 PolarHBondContact NH2-OE1 3.48Å; E846-L848 HydrophobicContact CG-CD2 4.32Å; E846-L848 PolarHBondContact O-N 3.14Å; E846-L848 VanDerWaalsContact O-N 3.07Å
847D78.6Confident67.1Low106 Ų10682.1 Ų82.157%0.56745%0.447SS*.  trans-69.5104.5174.1-176.518.6000109.7I845 S849I845-D847 PolarHBondContact O-N 3.37Å; D847-S849 PolarHBondContact O-N 3.42Å
848L84.1Confident65.3Low2 Ų285.6 Ų85.61%0.0147%0.465CS..  trans-87.994.4175.3-62.4-177.7000108.1F693 M702 Y703 Y706 E846F693-L848 VanDerWaalsContact CE1-O 3.23Å; F693-L848 WeakPolarHBondContact CE1-O 3.43Å; M702-L848 HydrophobicContact CG-CD1 4.34Å; Y703-L848 HydrophobicContact CD2-CD1 4.17Å; Y703-L848 HydrophobicContact CD2-CG 4.41Å; Y706-L848 HydrophobicContact CD1-CD1 4.03Å; Y706-L848 HydrophobicContact CD1-CD2 4.43Å; Y706-L848 HydrophobicContact CG-CD1 4Å; E846-L848 HydrophobicContact CG-CD2 4.32Å; E846-L848 PolarHBondContact O-N 3.14Å; E846-L848 VanDerWaalsContact O-N 3.07Å
849S78.4Confident63.9Low33 Ų3386.4 Ų86.423%0.23147%0.468CS..  trans-103.2136.1169.548.50000110.9D847 N853D847-S849 PolarHBondContact O-N 3.42Å; S849-N853 PolarHBondContact OG-ND2 2.85Å
850Q75.7Confident62.8Low22 Ų2285.3 Ų85.310%0.10346%0.456CS..  trans-97.3-23.3165.4-159.4-175.6-10.500111.4R404 G675 F693 T796 Y798R404-Q850 PolarHBondContact O-NE2 3.34Å; G675-Q850 PolarHBondContact O-OE1 2.93Å; F693-Q850 HydrophobicContact CB-CB 4.22Å; F693-Q850 HydrophobicContact CD1-CB 3.93Å; F693-Q850 HydrophobicContact CD2-CB 3.71Å; F693-Q850 HydrophobicContact CD2-CG 4.45Å; F693-Q850 HydrophobicContact CE1-CB 4.19Å; F693-Q850 HydrophobicContact CE2-CB 3.98Å; F693-Q850 HydrophobicContact CG-CB 3.67Å; F693-Q850 HydrophobicContact CZ-CB 4.21Å; T796-Q850 WeakPolarHBondContact O-CG 3.39Å; T796-Q850 PolarHBondContact O-NE2 2.87Å; Y798-Q850 HydrophobicContact CD2-CB 4.43Å; Y798-Q850 HydrophobicContact CD2-CG 4.23Å; Y798-Q850 HydrophobicContact CE2-CB 4.2Å; Y798-Q850 HydrophobicContact CE2-CG 4.33Å
851D62.5Low61.9Low112 Ų11284.6 Ų84.660%0.59945%0.451SS*.SBendtrans-61.8154.9-179-147.5-11.9000110.5N853D851-N853 PolarHBondContact O-N 2.95Å
852N50Low61.6Low96 Ų9680.9 Ų80.951%0.51342%0.424SS..  trans-66.161.5178.8-74.7-40.6000110.5M793 K854M793-N852 HydrophobicContact CE-CB 3.98Å; N852-K854 PolarHBondContact O-N 2.99Å
853N44.3Very low61.4Low98 Ų9883 Ų8352%0.52442%0.423SS..  trans-58.499.5156.3-96.7-15.4000104.5S849 D851 S855S849-N853 PolarHBondContact OG-ND2 2.85Å; D851-N853 PolarHBondContact O-N 2.95Å; N853-S855 PolarHBondContact O-N 2.9Å; N853-S855 PolarHBondContact O-OG 3.47Å
854K46.8Very low60.5Low125 Ų12586.2 Ų86.254%0.54344%0.437SS..  trans-55.252.7169.6-61.5173.2178.7172.40109.1E724 M793 N852 V856E724-K854 IonicContact OE2-NZ 2.79Å; E724-K854 PolarHBondContact OE2-NZ 3.48Å; M793-K854 HydrophobicContact CE-CG 4.23Å; N852-K854 PolarHBondContact O-N 2.99Å; K854-V856 PolarHBondContact O-N 2.97Å
855S42Very low59.8Low66 Ų6678.9 Ų78.946%0.46240%0.404SS..  trans-73.283.1165.555.80000104N853 K857N853-S855 PolarHBondContact O-N 2.9Å; N853-S855 PolarHBondContact O-OG 3.47Å; S855-K857 PolarHBondContact O-N 3.35Å
856V48.7Very low58.6Low56 Ų5682.3 Ų82.334%0.33943%0.427SS..  trans-59.492.8157.4179.60000103.6K854 E858K854-V856 PolarHBondContact O-N 2.97Å; V856-E858 PolarHBondContact O-N 3.46Å; V856-E858 VanDerWaalsContact O-N 3.1Å
857K47.5Very low58Low138 Ų13883.4 Ų83.460%0.644%0.44SS*.  trans-62.1118.7163.8-100.8-167.8177.2179.90104.9I794 S855 E859I794-K857 HydrophobicContact CD1-CB 4.26Å; I794-K857 HydrophobicContact CD1-CD 3.84Å; I794-K857 HydrophobicContact CD1-CG 4.08Å; S855-K857 PolarHBondContact O-N 3.35Å; K857-E859 HydrophobicContact CB-CG 4.08Å; K857-E859 PolarHBondContact O-N 3.34Å
858E48.8Very low57.8Low182 Ų18281.8 Ų81.885%0.8544%0.441SS*.  trans-61.684.5143.2-71.7-177.6170.100104.6V856 N860V856-E858 PolarHBondContact O-N 3.46Å; V856-E858 VanDerWaalsContact O-N 3.1Å; E858-N860 PolarHBondContact O-N 2.79Å; E858-N860 VanDerWaalsContact O-N 3.09Å
859E51.6Low57.9Low44 Ų4485.5 Ų85.521%0.20646%0.456CS..  trans-53.9120.1178-72175.4172.800106.7R133 K857 P861R133-E859 IonicContact CZ-OE2 3.74Å; R133-E859 IonicContact NE-OE2 3.31Å; R133-E859 PolarHBondContact NE-OE2 2.9Å; R133-E859 VanDerWaalsContact NE-OE2 3.14Å; R133-E859 IonicContact NH2-OE2 2.73Å; R133-E859 PolarHBondContact NH2-OE2 2.86Å; K857-E859 HydrophobicContact CB-CG 4.08Å; K857-E859 PolarHBondContact O-N 3.34Å; E859-P861 WeakPolarHBondContact O-CD 3.2Å
860N54.4Low58.5Low87 Ų8788.2 Ų88.247%0.46546%0.461SS..  trans-67.5104.7168.5-174.7-3.6000106.2E858 C862 E863E858-N860 PolarHBondContact O-N 2.79Å; E858-N860 VanDerWaalsContact O-N 3.09Å; N860-C862 PolarHBondContact O-N 3.44Å; N860-C862 PolarHBondContact OD1-N 3.09Å; N860-E863 PolarHBondContact O-N 3.45Å
861P57.3Low59Low20 Ų2088.8 Ų88.813%0.1346%0.462CS..Hα-helixtrans-64.3-18-168.728.2-34.4000111.9I137 E859 E863 I865I137-P861 HydrophobicContact CD1-CB 3.31Å; I137-P861 HydrophobicContact CD1-CG 4.12Å; I137-P861 HydrophobicContact CG1-CB 3.91Å; I137-P861 HydrophobicContact CG1-CG 4.21Å; I137-P861 HydrophobicContact CG2-CB 4.25Å; I137-P861 HydrophobicContact CG2-CG 3.85Å; E859-P861 WeakPolarHBondContact O-CD 3.2Å; P861-E863 PolarHBondContact O-N 3.22Å; P861-I865 HydrophobicContact CB-CD1 4.37Å; P861-I865 WeakPolarHBondContact O-CD1 3.42Å; P861-I865 WeakPolarHBondContact O-CG1 3.18Å
862C63.1Low60.2Low47 Ų4788.4 Ų88.432%0.31846%0.455SS..Hα-helixtrans-78.7-14.9-174.1-49.80000114.4C123 N860C123-C862 HydrophobicContact CB-CB 3.34Å; C123-C862 WeakPolarHBondContact CB-SG 3.42Å; C123-C862 VanDerWaalsContact SG-CA 3.54Å; C123-C862 WeakPolarHBondContact SG-CB 3.44Å; C123-C862 CovalentContact SG-SG 2.04Å; C123-C862 PolarHBondContact SG-SG 2.99Å; N860-C862 PolarHBondContact O-N 3.44Å; N860-C862 PolarHBondContact OD1-N 3.09Å
863E58.6Low61.8Low141 Ų14186 Ų8666%0.65945%0.454SS*.Hα-helixtrans-85.8-34.7-178.9-71.6177.7-169.800112.9N860 P861N860-E863 PolarHBondContact O-N 3.45Å; P861-E863 PolarHBondContact O-N 3.22Å
864E53.4Low63.7Low86 Ų8684.3 Ų84.340%0.40245%0.448SS..Hα-helixtrans-88.5-19.1-178.5-74.7-176.9-177.500114.2R133 T866R133-E864 IonicContact CZ-OE2 2.9Å; R133-E864 IonicContact NH1-OE2 3.98Å; R133-E864 PolarHBondContact NH1-OE2 3.39Å; R133-E864 IonicContact NH2-OE2 3.28Å; R133-E864 PolarHBondContact NH2-OE2 2.83Å; E864-T866 PolarHBondContact O-N 3.23Å
865I54.6Low65.2Low57 Ų5784.1 Ų84.129%0.29246%0.462SS..THydrogen-bonded Turntrans-82.76-172.6-67173.4000112.8F124 P861 T867F124-I865 HydrophobicContact CE1-CD1 3.42Å; F124-I865 VanDerWaalsContact CE1-CD1 3.42Å; F124-I865 HydrophobicContact CE1-CG2 4.38Å; F124-I865 HydrophobicContact CZ-CD1 3.78Å; P861-I865 HydrophobicContact CB-CD1 4.37Å; P861-I865 WeakPolarHBondContact O-CD1 3.42Å; P861-I865 WeakPolarHBondContact O-CG1 3.18Å; I865-T867 PolarHBondContact O-N 3Å
866T51.5Low67.2Low117 Ų11783.2 Ų83.272%0.71845%0.454SS*.THydrogen-bonded Turntrans-60.2-23.5-177.354.20000113.4E864E864-T866 PolarHBondContact O-N 3.23Å
867T65.3Low69.2Low116 Ų11682.8 Ų82.871%0.71245%0.453SS*.SBendtrans-141113.1169.653.30000112.2I865I865-T867 PolarHBondContact O-N 3Å
868A75.6Confident71.2Confident72 Ų7277.9 Ų77.960%0.59543%0.432SS*.PPolyproline II helixtrans-67.1136.617200000111P171P171-A868 HydrophobicContact CG-CB 4.12Å
869R86.9Confident72.9Confident81 Ų8172.3 Ų72.331%0.30641%0.408SS..PPolyproline II helixtrans-61.8147.1176.2-68.4177.6178.1157.81.9111.2D366 D369D366-R869 VanDerWaalsContact CG-NH1 3.31Å; D366-R869 WeakPolarHBondContact OD2-CD 3.35Å; D366-R869 IonicContact OD2-CZ 3.74Å; D366-R869 IonicContact OD2-NE 2.76Å; D366-R869 IonicContact OD2-NH1 3.64Å; D366-R869 PolarHBondContact OD2-NH1 2.78Å; D369-R869 VanDerWaalsContact CG-NH1 3.26Å; D369-R869 IonicContact OD1-CZ 3.68Å; D369-R869 VanDerWaalsContact OD1-CZ 3.31Å; D369-R869 IonicContact OD1-NH1 3.96Å; D369-R869 PolarHBondContact OD1-NH1 2.93Å; D369-R869 IonicContact OD1-NH2 3.48Å; D369-R869 PolarHBondContact OD1-NH2 3.38Å; D369-R869 IonicContact OD2-CZ 2.92Å; D369-R869 IonicContact OD2-NH1 3.88Å; D369-R869 PolarHBondContact OD2-NH1 3.34Å
870Y89.5Confident74.3Confident90 Ų9074 Ų7435%0.35342%0.424SS..PPolyproline II helixtrans-63.9140.8177.3-177.6-103.4000111.6R381 R382 I385 D386R381-Y870 PolarHBondContact NH1-O 2.96Å; R382-Y870 HydrophobicContact CB-CD1 4.36Å; R382-Y870 HydrophobicContact CG-CD1 3.7Å; R382-Y870 HydrophobicContact CG-CE1 3.95Å; R382-Y870 HydrophobicContact CG-CG 4.35Å; I385-Y870 HydrophobicContact CG2-CD1 4.24Å; I385-Y870 HydrophobicContact CG2-CE1 3.94Å; D386-Y870 PolarHBondContact OD1-OH 2.93Å; D386-Y870 VanDerWaalsContact OD1-OH 3.13Å
871R86.4Confident75.7Confident33 Ų3372.3 Ų72.313%0.12542%0.416CS..  trans-155.9166.3175.755.6171.2164.6147.4-13.9111.1Y107Y107-R871 VanDerWaalsContact CE2-NH1 3.34Å; Y107-R871 PolarHBondContact OH-NE 3.21Å; Y107-R871 PolarHBondContact OH-NH1 3.09Å; Y107-R871 PolarHBondContact OH-NH2 3.45Å
872K87.5Confident76.9Confident104 Ų10480 Ų8045%0.45245%0.453SS..  trans-124.3111.8178.9-173.5176.8-179.8-178.80109.9P342 I385P342-K872 HydrophobicContact CB-CB 4.45Å; P342-K872 WeakPolarHBondContact CB-O 3.38Å; P342-K872 PolarHBondContact O-N 3.37Å; I385-K872 HydrophobicContact CG2-CB 3.63Å
873G83.3Confident77.8Confident47 Ų4779.7 Ų79.749%0.48545%0.454SS..  trans-67.9168.2176.400000112.9
874P84.8Confident79Confident61 Ų6173.7 Ų73.740%0.39643%0.426SS..  trans-56.6140176.8-27.638.3000112.5P70P70-P874 HydrophobicContact CG-CB 4.38Å; P70-P874 HydrophobicContact CG-CG 3.75Å
875S78.1Confident80.3Confident121 Ų12172.2 Ų72.285%0.84642%0.422SS*.SBendtrans-74.9-24.9-177.261.10000113.7
876T85Confident81.5Confident47 Ų4772.2 Ų72.229%0.28842%0.424SS..  trans-113132.1-178.154.70000110.7
877C89.8Confident82.7Confident47 Ų4771.1 Ų71.132%0.31842%0.421SS..  trans-129.4136.7176.4167.70000109.7C175C175-C877 WeakPolarHBondContact CA-SG 3.44Å; C175-C877 HydrophobicContact CB-CB 3.76Å; C175-C877 WeakPolarHBondContact CB-SG 3.46Å; C175-C877 WeakPolarHBondContact SG-CB 3.39Å; C175-C877 CovalentContact SG-SG 2.01Å; C175-C877 PolarHBondContact SG-SG 2.91Å
878F89.6Confident83.3Confident35 Ų3568.9 Ų68.915%0.15441%0.405CS..  trans-118.199.8171.8-56-77.3000109.3S69 M256 A259 K262S69-F878 PolarHBondContact OG-N 3.27Å; S69-F878 VanDerWaalsContact OG-N 3.17Å; M256-F878 HydrophobicContact CB-CB 4Å; M256-F878 HydrophobicContact CB-CD2 4.39Å; M256-F878 HydrophobicContact CB-CG 4.28Å; M256-F878 HydrophobicContact CG-CD2 3.99Å; M256-F878 HydrophobicContact CG-CG 4.32Å; A259-F878 HydrophobicContact CB-CD1 3.59Å; A259-F878 HydrophobicContact CB-CE1 3.51Å; A259-F878 HydrophobicContact CB-CZ 4.43Å; K262-F878 WeakPolarHBondContact O-CZ 3.32Å
879D83.7Confident83.2Confident66 Ų6666.3 Ų66.335%0.35338%0.382SS..  trans-117.9-37.5-171.365.6-22.4000114.5N176 R205 P255N176-D879 VanDerWaalsContact OD1-CA 3.22Å; N176-D879 WeakPolarHBondContact OD1-CA 3.46Å; N176-D879 WeakPolarHBondContact OD1-CB 3.47Å; R205-D879 PolarHBondContact NH2-O 3.34Å; P255-D879 WeakPolarHBondContact CG-O 3.43Å
880S82.5Confident82Confident78 Ų7863.7 Ų63.755%0.54538%0.38SS..  trans-145.6141-172.965.40000111.9
881N84Confident80.1Confident53 Ų5369 Ų6928%0.28340%0.4SS..  trans-141.3139.3171.2-164.5-40.7000108.9P255 L258 A883 E884P255-N881 HydrophobicContact CB-CB 4.47Å; L258-N881 HydrophobicContact CB-CB 4.45Å; L258-N881 WeakPolarHBondContact CB-ND2 3.3Å; L258-N881 HydrophobicContact CD1-CB 3.77Å; N881-A883 PolarHBondContact O-N 2.85Å; N881-A883 PolarHBondContact OD1-N 3.39Å; N881-A883 VanDerWaalsContact OD1-N 3.09Å; N881-E884 WeakPolarHBondContact O-CB 3.26Å; N881-E884 PolarHBondContact O-N 3.36Å; N881-E884 VanDerWaalsContact O-N 3.17Å
882I81.9Confident78Confident180 Ų18069.5 Ų69.592%0.92342%0.415SS*.THydrogen-bonded Turntrans-65.1-30.5-179.4-57.9170.5000110.8E884I882-E884 VanDerWaalsContact C-N 3.26Å; I882-E884 PolarHBondContact O-N 2.89Å
883A81.1Confident75.5Confident41 Ų4171.7 Ų71.734%0.33943%0.426SS..THydrogen-bonded Turntrans-82.65178.700000113.9L304 Q307 N881L304-A883 HydrophobicContact CD2-CB 3.76Å; L304-A883 WeakPolarHBondContact CD2-O 3.39Å; Q307-A883 PolarHBondContact NE2-O 2.94Å; N881-A883 PolarHBondContact O-N 2.85Å; N881-A883 PolarHBondContact OD1-N 3.39Å; N881-A883 VanDerWaalsContact OD1-N 3.09Å
884E84.4Confident73.2Confident15 Ų1573.9 Ų73.97%0.0743%0.434CS..  trans-65.4134179.7-173-178.217700111.9R205 R254 L258 N881 I882 T886R205-E884 IonicContact CZ-OE1 2.85Å; R205-E884 VanDerWaalsContact CZ-OE1 3.28Å; R205-E884 IonicContact CZ-OE2 2.7Å; R205-E884 IonicContact NH1-OE1 3.47Å; R205-E884 PolarHBondContact NH1-OE1 3.22Å; R205-E884 IonicContact NH1-OE2 2.69Å; R205-E884 VanDerWaalsContact NH2-CD 3.26Å; R205-E884 IonicContact NH2-OE1 2.96Å; R205-E884 PolarHBondContact NH2-OE1 3.24Å; R205-E884 IonicContact NH2-OE2 2.98Å; R205-E884 PolarHBondContact NH2-OE2 3.48Å; R254-E884 HydrophobicContact CB-CG 4.22Å; L258-E884 HydrophobicContact CD1-CB 4.19Å; N881-E884 WeakPolarHBondContact O-CB 3.26Å; N881-E884 PolarHBondContact O-N 3.36Å; N881-E884 VanDerWaalsContact O-N 3.17Å; I882-E884 VanDerWaalsContact C-N 3.26Å; I882-E884 PolarHBondContact O-N 2.89Å; E884-T886 HydrophobicContact CG-CG2 4.33Å; E884-T886 PolarHBondContact O-N 3.43Å
885N81.8Confident70.9Confident56 Ų5679.4 Ų79.430%0.29945%0.452SS..  trans-78.9107.3172.6-176.3-2.7000109.4R254 Q307 S887R254-N885 PolarHBondContact NH1-O 2.83Å; Q307-N885 VanDerWaalsContact NE2-N 3.19Å; N885-S887 PolarHBondContact OD1-N 3.41Å; N885-S887 PolarHBondContact OD1-OG 2.91Å
886T79.2Confident69Low56 Ų5683.9 Ų83.934%0.34445%0.451SS..  trans-103.14.4-18066.80000112.9K229 E884K229-T886 HydrophobicContact CB-CG2 4.01Å; K229-T886 HydrophobicContact CD-CG2 3.66Å; K229-T886 HydrophobicContact CG-CG2 3.56Å; E884-T886 HydrophobicContact CG-CG2 4.33Å; E884-T886 PolarHBondContact O-N 3.43Å
887S76.3Confident67.1Low94 Ų9484.9 Ų84.966%0.65746%0.458SS*.  trans-82.1-19.2-176.668.10000113.5N885 C889N885-S887 PolarHBondContact OD1-N 3.41Å; N885-S887 PolarHBondContact OD1-OG 2.91Å; S887-C889 PolarHBondContact O-N 3.4Å
888D77.3Confident65.9Low70 Ų7086.5 Ų86.537%0.37447%0.468SS..  trans-91.399.9178.1-167.716.6000110.6Y231 R254Y231-D888 WeakPolarHBondContact CD2-O 3.42Å; R254-D888 PolarHBondContact NH2-O 3.49Å
889C73.3Confident64.8Low18 Ų1891.5 Ų91.512%0.12250%0.495CS..  trans-126.819-171.651.80000114.3C226 Y232 S887C226-C889 HydrophobicContact CB-CB 3.75Å; C226-C889 WeakPolarHBondContact CB-SG 3.45Å; C226-C889 WeakPolarHBondContact SG-CB 3.49Å; C226-C889 CovalentContact SG-SG 2.02Å; C226-C889 PolarHBondContact SG-SG 3.46Å; Y232-C889 WeakPolarHBondContact CB-O 3.21Å; Y232-C889 PolarHBondContact N-O 2.86Å; S887-C889 PolarHBondContact O-N 3.4Å
890G61.8Low64.3Low25 Ų2597.2 Ų97.226%0.25851%0.513SS..  trans122.2130.417500000113Y231 G892Y231-G890 VanDerWaalsContact CZ-CA 3.5Å; G890-G892 PolarHBondContact O-N 3.04Å
891R50.8Low63.7Low203 Ų20396.5 Ų96.577%0.76651%0.506SS*.  trans-86.889.9172.8-69.2-176.3-177.4176.32109.9H893R891-H893 PolarHBondContact O-N 3.41Å
892G41.3Very low63Low42 Ų4298.1 Ų98.143%0.43351%0.514SS..  trans-62.5108.1153.700000107.3G890 S894G890-G892 PolarHBondContact O-N 3.04Å; G892-S894 PolarHBondContact O-N 3.48Å
893H35.7Very low62.7Low151 Ų15193.7 Ų93.770%0.69949%0.491SS*.  trans-67.976.3169.7-93.3-82000108.7R891 F895R891-H893 PolarHBondContact O-N 3.41Å; H893-F895 PolarHBondContact O-N 2.89Å
894S35.4Very low62.5Low93 Ų9396.2 Ų96.265%0.6550%0.499SS*.  trans-68.493.7152.81720000105.4G892 R896G892-S894 PolarHBondContact O-N 3.48Å; S894-R896 PolarHBondContact O-N 2.89Å
895F35.5Very low62Low177 Ų177100 Ų10078%0.77652%0.519SS*.  trans-57.797.5158-98.6-88.1000105.9H893 P897H893-F895 PolarHBondContact O-N 2.89Å; F895-P897 WeakPolarHBondContact O-CD 3.29Å
896R38.5Very low61.6Low215 Ų215103.1 Ų103.181%0.81153%0.531SS*.  trans-74.6104159.8-73.3-172.8178.2-176.8-0.1104.8S894S894-R896 PolarHBondContact O-N 2.89Å
897P46.2Very low61.3Low68 Ų68106.2 Ų106.244%0.44255%0.545SS..  trans-55.3128.8172.924.3-34.2000107.2F895 L899 L902F895-P897 WeakPolarHBondContact O-CD 3.29Å; P897-L899 PolarHBondContact O-N 3.15Å; P897-L899 VanDerWaalsContact O-N 3.17Å; P897-L902 HydrophobicContact CB-CD1 4.02Å; P897-L902 HydrophobicContact CB-CG 4.06Å; P897-L902 HydrophobicContact CG-CD1 3.52Å; P897-L902 HydrophobicContact CG-CG 4.05Å
898P64.4Low60.9Low80 Ų80107.3 Ų107.352%0.51954%0.543SS..  trans-55.9129.1177.212.1-18.8000107.7Y900 T901 L902P898-Y900 PolarHBondContact O-N 2.85Å; P898-T901 WeakPolarHBondContact CD-OG1 3.44Å; P898-T901 HydrophobicContact CG-CG2 3.76Å; P898-T901 WeakPolarHBondContact CG-OG1 3.24Å; P898-T901 PolarHBondContact O-N 2.89Å; P898-T901 PolarHBondContact O-OG1 3.44Å; P898-L902 PolarHBondContact O-N 3.5Å
899L66Low60.2Low141 Ų141110 Ų11074%0.73856%0.557SS**Hα-helixtrans-49.2-31.4-176.4-135.8126000111.8P897 L902 L903P897-L899 PolarHBondContact O-N 3.15Å; P897-L899 VanDerWaalsContact O-N 3.17Å; L899-L902 PolarHBondContact O-N 3.49Å; L899-L903 HydrophobicContact CD2-CD1 4.09Å; L899-L903 WeakPolarHBondContact O-CB 3.48Å; L899-L903 PolarHBondContact O-N 2.82Å
900Y72.1Confident59.7Low186 Ų186113.9 Ų113.973%0.72958%0.576SS**Hα-helixtrans-61.3-42.4174.2-136.7-89.3000114.1P898 L903 L904P898-Y900 PolarHBondContact O-N 2.85Å; Y900-L903 PolarHBondContact O-N 3.47Å; Y900-L904 HydrophobicContact CD1-CD1 4.14Å; Y900-L904 HydrophobicContact CE1-CD1 4.15Å; Y900-L904 WeakPolarHBondContact O-CB 3.49Å; Y900-L904 PolarHBondContact O-N 3.06Å
901T70.2Confident59.4Low63 Ų63121.8 Ų121.839%0.38760%0.599SS.*Hα-helixtrans-69.8-38.5177.952.60000112.3P898 L904 I905P898-T901 WeakPolarHBondContact CD-OG1 3.44Å; P898-T901 HydrophobicContact CG-CG2 3.76Å; P898-T901 WeakPolarHBondContact CG-OG1 3.24Å; P898-T901 PolarHBondContact O-N 2.89Å; P898-T901 PolarHBondContact O-OG1 3.44Å; T901-L904 PolarHBondContact O-N 3.42Å; T901-I905 WeakPolarHBondContact O-CB 3.27Å; T901-I905 WeakPolarHBondContact O-CD1 3.45Å; T901-I905 WeakPolarHBondContact O-CG1 3.39Å; T901-I905 PolarHBondContact O-N 2.73Å
902L69.6Low59.7Low87 Ų87117 Ų11746%0.45559%0.594SS.*Hα-helixtrans-64.5-42.6173.5-81.4168.2000111.8P897 P898 L899 I905 Q906P897-L902 HydrophobicContact CB-CD1 4.02Å; P897-L902 HydrophobicContact CB-CG 4.06Å; P897-L902 HydrophobicContact CG-CD1 3.52Å; P897-L902 HydrophobicContact CG-CG 4.05Å; P898-L902 PolarHBondContact O-N 3.5Å; L899-L902 PolarHBondContact O-N 3.49Å; L902-I905 PolarHBondContact O-N 3.09Å; L902-Q906 WeakPolarHBondContact O-CB 3.4Å; L902-Q906 WeakPolarHBondContact O-CG 3.46Å; L902-Q906 PolarHBondContact O-N 3.46Å
903L75.5Confident60.4Low86 Ų86118.8 Ų118.845%0.4561%0.605SS.*Hα-helixtrans-62.8-41.8173.9-98.5155.5000112.2L899 Y900 Q906 L907L899-L903 HydrophobicContact CD2-CD1 4.09Å; L899-L903 WeakPolarHBondContact O-CB 3.48Å; L899-L903 PolarHBondContact O-N 2.82Å; Y900-L903 PolarHBondContact O-N 3.47Å; L903-Q906 PolarHBondContact O-N 2.86Å; L903-L907 WeakPolarHBondContact O-CB 3.25Å; L903-L907 PolarHBondContact O-N 2.96Å
904L77Confident61.3Low94 Ų94118.5 Ų118.549%0.49261%0.608SS.*Hα-helixtrans-65.6-41.3179.2-135.9110.8000111.7Y900 T901 L907 L908Y900-L904 HydrophobicContact CD1-CD1 4.14Å; Y900-L904 HydrophobicContact CE1-CD1 4.15Å; Y900-L904 WeakPolarHBondContact O-CB 3.49Å; Y900-L904 PolarHBondContact O-N 3.06Å; T901-L904 PolarHBondContact O-N 3.42Å; L904-L907 PolarHBondContact O-N 3.18Å; L904-L908 HydrophobicContact CD2-CD1 4.16Å; L904-L908 WeakPolarHBondContact O-CB 3.48Å; L904-L908 PolarHBondContact O-N 3.47Å
905I73.8Confident61.8Low95 Ų95118 Ų11849%0.48761%0.605SS.*Hα-helixtrans-67.3-40177.2-68.9165.5000110.6T901 L902 L908 L909T901-I905 WeakPolarHBondContact O-CB 3.27Å; T901-I905 WeakPolarHBondContact O-CD1 3.45Å; T901-I905 WeakPolarHBondContact O-CG1 3.39Å; T901-I905 PolarHBondContact O-N 2.73Å; L902-I905 PolarHBondContact O-N 3.09Å; I905-L908 PolarHBondContact O-N 3.25Å; I905-L909 HydrophobicContact CG2-CD1 3.85Å; I905-L909 HydrophobicContact CG2-CG 4.49Å; I905-L909 WeakPolarHBondContact O-CB 3.29Å; I905-L909 VanDerWaalsContact O-CG 3.3Å; I905-L909 WeakPolarHBondContact O-CG 3.38Å; I905-L909 PolarHBondContact O-N 3.22Å
906Q74.1Confident62.5Low121 Ų121115.1 Ų115.157%0.56560%0.603SS**Hα-helixtrans-64.1-39.1173.5-79.5-179-21.700112.4L902 L903 L909 L910L902-Q906 WeakPolarHBondContact O-CB 3.4Å; L902-Q906 WeakPolarHBondContact O-CG 3.46Å; L902-Q906 PolarHBondContact O-N 3.46Å; L903-Q906 PolarHBondContact O-N 2.86Å; Q906-L909 PolarHBondContact O-N 2.85Å; Q906-L910 WeakPolarHBondContact O-CB 3.16Å; Q906-L910 WeakPolarHBondContact O-CD1 3.06Å; Q906-L910 PolarHBondContact O-N 3.44Å
907L71.8Confident63.1Low121 Ų121112.8 Ų112.863%0.63460%0.602SS**Hα-helixtrans-67-39.3174.7-108.4130.1000112.6L903 L904 L910 Y911L903-L907 WeakPolarHBondContact O-CB 3.25Å; L903-L907 PolarHBondContact O-N 2.96Å; L904-L907 PolarHBondContact O-N 3.18Å; L907-L910 PolarHBondContact O-N 2.92Å; L907-Y911 PolarHBondContact O-N 3.27Å
908L67.9Low62.7Low118 Ų118118.7 Ų118.762%0.61862%0.623SS**Hα-helixtrans-66.1-35.6174.5-100.6144.2000112.5L904 I905 Y911 P912L904-L908 HydrophobicContact CD2-CD1 4.16Å; L904-L908 WeakPolarHBondContact O-CB 3.48Å; L904-L908 PolarHBondContact O-N 3.47Å; I905-L908 PolarHBondContact O-N 3.25Å; L908-Y911 WeakPolarHBondContact O-CB 3.12Å; L908-Y911 PolarHBondContact O-N 3.49Å; L908-P912 WeakPolarHBondContact O-CD 3.48Å
909L64Low61.5Low126 Ų126123.7 Ų123.766%0.6664%0.639SS**Hα-helixtrans-77.4-19.2176-73.9167.4000113.6I905 Q906 P912I905-L909 HydrophobicContact CG2-CD1 3.85Å; I905-L909 HydrophobicContact CG2-CG 4.49Å; I905-L909 WeakPolarHBondContact O-CB 3.29Å; I905-L909 VanDerWaalsContact O-CG 3.3Å; I905-L909 WeakPolarHBondContact O-CG 3.38Å; I905-L909 PolarHBondContact O-N 3.22Å; Q906-L909 PolarHBondContact O-N 2.85Å; L909-P912 VanDerWaalsContact O-CD 3.25Å; L909-P912 WeakPolarHBondContact O-CD 3.41Å
910L61.5Low60.2Low100 Ų100121.6 Ų121.652%0.52464%0.636SS.*Hα-helixtrans-83-20.3172.5-86.9155.9000113Q906 L907 P912 A913Q906-L910 WeakPolarHBondContact O-CB 3.16Å; Q906-L910 WeakPolarHBondContact O-CD1 3.06Å; Q906-L910 PolarHBondContact O-N 3.44Å; L907-L910 PolarHBondContact O-N 2.92Å; L910-P912 VanDerWaalsContact C-CD 3.44Å; L910-A913 PolarHBondContact O-N 3.22Å; L910-A913 VanDerWaalsContact O-N 3.15Å
911Y56.6Low58.6Low190 Ų190120.5 Ų120.575%0.74564%0.642SS**G310 helixtrans-61.3-35-179.5-153.1-99.2000115.1L907 L908 A913L907-Y911 PolarHBondContact O-N 3.27Å; L908-Y911 WeakPolarHBondContact O-CB 3.12Å; L908-Y911 PolarHBondContact O-N 3.49Å; Y911-A913 VanDerWaalsContact C-N 3.31Å; Y911-A913 PolarHBondContact O-N 3.1Å
912P56.1Low57Low103 Ų103125.4 Ų125.467%0.66967%0.665SS**G310 helixtrans-76.3-15.8175.1-7.424000113.6L908 L909 L910L908-P912 WeakPolarHBondContact O-CD 3.48Å; L909-P912 VanDerWaalsContact O-CD 3.25Å; L909-P912 WeakPolarHBondContact O-CD 3.41Å; L910-P912 VanDerWaalsContact C-CD 3.44Å
913A55.9Low55.5Low79 Ų79133.7 Ų133.765%0.65370%0.701SS**G310 helixtrans-87-10.1-17700000113.6L910 Y911L910-A913 PolarHBondContact O-N 3.22Å; L910-A913 VanDerWaalsContact O-N 3.15Å; Y911-A913 VanDerWaalsContact C-N 3.31Å; Y911-A913 PolarHBondContact O-N 3.1Å
914L54.5Low54.5Low145 Ų145136.1 Ų136.176%0.75971%0.713SS**SBendtrans-113.64.5-173.6-83.2157.6000114.9
915S46.8Very low53.3Low84 Ų84138.3 Ų138.359%0.58773%0.725SS**  trans-139.782.7178.3-177.20000113.4H917S915-H917 PolarHBondContact O-N 3.04Å
916P50.9Low52.2Low115 Ų115140.7 Ų140.775%0.74774%0.738SS**  trans-85.383.6165.634.1-25.8000108.1
917H49.8Very low50.9Low167 Ų167141.8 Ų141.877%0.77375%0.748SS**  trans168.195.5152.5-89.4-44000110.5S915S915-H917 PolarHBondContact O-N 3.04Å
918H38Very low49.6Very low192 Ų192143.1 Ų143.189%0.88976%0.755SS**  -169.4109125.5-103.232.2000109.2
919H39.5Very low48.4Very low184 Ų184144.8 Ų144.885%0.85276%0.764SS**  trans-73.2160.8170.4-106.8-51.6000110.9
920S39.3Very low47.2Very low97 Ų97146.1 Ų146.168%0.67877%0.772SS**  trans67.7104.5144.766.90000118.3
921L37.5Very low46.1Very low163 Ų163149.7 Ų149.785%0.85379%0.791SS**  175.6102.7128.4-97.2148.2000108.7
922L36.3Very low45.3Very low167 Ų167146.3 Ų146.387%0.87480%0.795SS**  165.5118.2127.5-89.7146.4000109.5
923H38.7Very low44.3Very low260 Ų260150.3 Ų150.3100%1.20481%0.806SS**  trans-63.70161.6-109.6-62.1000111.3

Retrieved 923 of 923 residues in 424.5 ms (Link to these results)

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