A0A096LZL3_POEFO Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A096LZL3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 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
1W90.3Very high83Confident94 Ų9450.7 Ų50.736%0.35624%0.24SC..  0-31.4054.4-100.2000113.3F3 F25 L26 V27 L70 V74 P91W1-F3 WeakPolarHBondContact O-CD2 3.42Å; W1-F25 HydrophobicContact CB-CD2 4.26Å; W1-F25 HydrophobicContact CB-CE2 3.53Å; W1-F25 HydrophobicContact CB-CZ 4Å; W1-F25 HydrophobicContact CG-CE2 4.18Å; W1-L26 CarbonylContact O-C 3.48Å; W1-L26 WeakPolarHBondContact O-CA 3.1Å; W1-V27 HydrophobicContact CE3-CB 3.83Å; W1-V27 HydrophobicContact CE3-CG2 3.67Å; W1-V27 HydrophobicContact CZ3-CB 4Å; W1-V27 HydrophobicContact CZ3-CG1 4.44Å; W1-V27 HydrophobicContact CZ3-CG2 3.94Å; W1-V27 PolarHBondContact O-N 3.07Å; W1-L70 HydrophobicContact CH2-CB 4.08Å; W1-L70 HydrophobicContact CZ3-CB 4.24Å; W1-V74 HydrophobicContact CD2-CG1 4.44Å; W1-V74 HydrophobicContact CD2-CG2 4.29Å; W1-V74 HydrophobicContact CE3-CG2 3.97Å; W1-V74 HydrophobicContact CG-CG1 4.49Å; W1-V74 HydrophobicContact CH2-CG2 4.44Å; W1-V74 HydrophobicContact CZ3-CG2 4.05Å; W1-P91 HydrophobicContact CB-CB 3.98Å; W1-P91 HydrophobicContact CB-CG 4.4Å
2F93.1Very high83.3Confident77 Ų7752.5 Ų52.534%0.33825%0.248SC..EExtended strand (participates in β ladder)trans-85.8127.4174.8-171.6-112.3000112.7V27 Y37 K94F2-V27 CarbonylContact C-O 3.59Å; F2-V27 WeakPolarHBondContact CA-O 3.25Å; F2-V27 HydrophobicContact CD2-CB 4.13Å; F2-V27 HydrophobicContact CD2-CG1 3.96Å; F2-V27 WeakPolarHBondContact CD2-O 3.15Å; F2-V27 HydrophobicContact CE2-CG1 4.32Å; F2-Y37 HydrophobicContact CE2-CD1 4.08Å; F2-Y37 AromaticContact CE2-CE1 3.83Å; F2-Y37 HydrophobicContact CE2-CE1 3.83Å; F2-Y37 HydrophobicContact CZ-CE1 4.05Å; F2-K94 WeakPolarHBondContact O-CE 3.44Å; F2-K94 PolarHBondContact O-NZ 3Å
3F87.9Confident83Confident35 Ų3550.9 Ų50.915%0.15424%0.242CC..EExtended strand (participates in β ladder)trans-113.512.3-174.1-82.3-111.2000113.9W1 M6 I14 L26 V27 C92 K94W1-F3 WeakPolarHBondContact O-CD2 3.42Å; F3-M6 HydrophobicContact CB-CE 3.88Å; F3-M6 HydrophobicContact CB-SD 4.15Å; F3-M6 HydrophobicContact CD1-CE 3.76Å; F3-M6 HydrophobicContact CD1-SD 4.5Å; F3-M6 HydrophobicContact CG-CE 4.26Å; F3-I14 HydrophobicContact CE1-CG2 4.03Å; F3-L26 HydrophobicContact CD1-CD2 4.44Å; F3-L26 HydrophobicContact CD2-CB 3.5Å; F3-L26 VanDerWaalsContact CD2-CB 3.5Å; F3-L26 HydrophobicContact CD2-CD2 4.21Å; F3-L26 HydrophobicContact CD2-CG 4.35Å; F3-L26 HydrophobicContact CE2-CB 3.65Å; F3-L26 HydrophobicContact CE2-CD2 4.29Å; F3-L26 HydrophobicContact CG-CB 4.27Å; F3-L26 HydrophobicContact CG-CD2 4.27Å; F3-L26 HydrophobicContact CZ-CD2 4.42Å; F3-V27 PolarHBondContact N-O 3.29Å; F3-C92 HydrophobicContact CE2-CB 3.86Å; F3-C92 HydrophobicContact CZ-CB 3.81Å; F3-C92 WeakPolarHBondContact CZ-O 3.5Å; F3-K94 HydrophobicContact CD1-CG 4.46Å; F3-K94 HydrophobicContact CE1-CB 4.49Å; F3-K94 HydrophobicContact CE1-CG 3.81Å; F3-K94 HydrophobicContact CE2-CG 3.97Å; F3-K94 HydrophobicContact CZ-CB 4.41Å; F3-K94 HydrophobicContact CZ-CG 3.53Å
4G86.8Confident83.2Confident24 Ų2448.7 Ų48.725%0.24723%0.232CC..EExtended strand (participates in β ladder)trans71.3-151.717900000112.6R28 K29G4-R28 CarbonylContact O-C 3.6Å; G4-R28 WeakPolarHBondContact O-CA 3.31Å; G4-K29 PolarHBondContact O-N 2.76Å
5T81.5Confident83.7Confident72 Ų7245.5 Ų45.544%0.44222%0.217SC..EExtended strand (participates in β ladder)trans-80121.3175.7-56.10000109.8K29 E31T5-K29 WeakPolarHBondContact CA-O 3.3Å; T5-E31 HydrophobicContact CG2-CB 4.42Å; T5-E31 HydrophobicContact CG2-CG 3.7Å
6M81.7Confident83.9Confident16 Ų1646.4 Ų46.48%0.07922%0.222CC..  trans-153.9142.9-171.5176.1179.6-78.500111F3 E10 A11 I14 L26 R28 K29F3-M6 HydrophobicContact CB-CE 3.88Å; F3-M6 HydrophobicContact CB-SD 4.15Å; F3-M6 HydrophobicContact CD1-CE 3.76Å; F3-M6 HydrophobicContact CD1-SD 4.5Å; F3-M6 HydrophobicContact CG-CE 4.26Å; M6-E10 WeakPolarHBondContact CA-OE2 3.34Å; M6-E10 HydrophobicContact CG-CB 3.5Å; M6-E10 VanDerWaalsContact CG-CB 3.5Å; M6-E10 HydrophobicContact CG-CG 4.47Å; M6-E10 VanDerWaalsContact CG-OE2 3.28Å; M6-E10 WeakPolarHBondContact CG-OE2 3.45Å; M6-E10 HydrophobicContact SD-CB 4.12Å; M6-A11 HydrophobicContact CG-CB 4.41Å; M6-A11 HydrophobicContact SD-CB 3.93Å; M6-I14 HydrophobicContact CE-CD1 3.4Å; M6-I14 VanDerWaalsContact CE-CD1 3.4Å; M6-I14 HydrophobicContact SD-CD1 3.98Å; M6-L26 HydrophobicContact SD-CD2 4.44Å; M6-R28 HydrophobicContact CB-CB 4.01Å; M6-R28 PolarHBondContact O-NH1 3.02Å; M6-K29 PolarHBondContact N-O 3.12Å
7S77.6Confident84Confident19 Ų1947.4 Ų47.413%0.13323%0.226CC..  trans-69164.7178.594.40000111.8F9 E10 A11 E31S7-F9 VanDerWaalsContact C-N 3.26Å; S7-F9 PolarHBondContact O-N 3.45Å; S7-F9 PolarHBondContact OG-N 2.68Å; S7-E10 PolarHBondContact N-OE2 2.91Å; S7-E10 WeakPolarHBondContact OG-CG 3.47Å; S7-E10 PolarHBondContact OG-N 3.2Å; S7-A11 WeakPolarHBondContact O-CB 3.34Å; S7-A11 PolarHBondContact O-N 3.37Å; S7-E31 WeakPolarHBondContact CA-OE2 3.36Å; S7-E31 WeakPolarHBondContact CB-OE2 3.28Å
8R81.4Confident84Confident132 Ų13251.3 Ų51.350%0.49826%0.256SS..Hα-helixtrans-62.5-40173.4-178.7-178.5179.1159.2-1.8111.1Q12 H49R8-Q12 PolarHBondContact O-N 2.78Å; R8-Q12 VanDerWaalsContact O-N 3.08Å; R8-H49 WeakPolarHBondContact CG-NE2 3.25Å; R8-H49 PolarHBondContact NE-CD2 3.03Å; R8-H49 VanDerWaalsContact NE-CD2 3.28Å; R8-H49 PolarHBondContact NE-NE2 2.81Å
9F72.3Confident84.3Confident63 Ų6352.6 Ų52.628%0.27627%0.269SS..Hα-helixtrans-71.4-44.7-175.3-175.9-99.9000111.8S7 A11 Q12 N13 D247 Y248S7-F9 VanDerWaalsContact C-N 3.26Å; S7-F9 PolarHBondContact O-N 3.45Å; S7-F9 PolarHBondContact OG-N 2.68Å; F9-A11 VanDerWaalsContact C-N 3.31Å; F9-A11 PolarHBondContact O-N 3.2Å; F9-Q12 WeakPolarHBondContact O-CB 3.23Å; F9-Q12 PolarHBondContact O-N 3.22Å; F9-N13 WeakPolarHBondContact CE1-ND2 3.25Å; F9-N13 VanDerWaalsContact CZ-ND2 3.32Å; F9-N13 WeakPolarHBondContact CZ-ND2 3.43Å; F9-N13 PolarHBondContact O-N 2.88Å; F9-D247 WeakPolarHBondContact CE1-O 3.26Å; F9-Y248 AromaticContact CE1-CD2 3.54Å; F9-Y248 HydrophobicContact CE1-CD2 3.54Å; F9-Y248 HydrophobicContact CE1-CE2 4.15Å; F9-Y248 AromaticContact CZ-CD2 3.53Å; F9-Y248 HydrophobicContact CZ-CD2 3.53Å; F9-Y248 AromaticContact CZ-CE2 3.71Å; F9-Y248 HydrophobicContact CZ-CE2 3.71Å
10E76.5Confident84.7Confident26 Ų2650.4 Ų50.412%0.12126%0.257CS..Hα-helixtrans-56.6-46174.2-72.3177.5143.600111.2M6 S7 Q12 N13 I14 R169M6-E10 WeakPolarHBondContact CA-OE2 3.34Å; M6-E10 HydrophobicContact CG-CB 3.5Å; M6-E10 VanDerWaalsContact CG-CB 3.5Å; M6-E10 HydrophobicContact CG-CG 4.47Å; M6-E10 VanDerWaalsContact CG-OE2 3.28Å; M6-E10 WeakPolarHBondContact CG-OE2 3.45Å; M6-E10 HydrophobicContact SD-CB 4.12Å; S7-E10 PolarHBondContact N-OE2 2.91Å; S7-E10 WeakPolarHBondContact OG-CG 3.47Å; S7-E10 PolarHBondContact OG-N 3.2Å; E10-Q12 VanDerWaalsContact C-N 3.3Å; E10-Q12 PolarHBondContact O-N 2.78Å; E10-N13 PolarHBondContact O-N 2.82Å; E10-I14 WeakPolarHBondContact O-CB 3.33Å; E10-I14 WeakPolarHBondContact O-CD1 3.48Å; E10-I14 WeakPolarHBondContact O-CG1 3.44Å; E10-I14 PolarHBondContact O-N 3.21Å; E10-R169 IonicContact OE1-CZ 2.71Å; E10-R169 IonicContact OE1-NE 2.83Å; E10-R169 IonicContact OE1-NH2 3.47Å; E10-R169 PolarHBondContact OE1-NH2 2.83Å; E10-R169 IonicContact OE2-NH2 3.52Å; E10-R169 PolarHBondContact OE2-NH2 3.15Å
11A84.5Confident85.1Confident0 Ų053.5 Ų53.50%028%0.275CS..Hα-helixtrans-62-38.2176.700000112.9M6 S7 F9 L15 L26M6-A11 HydrophobicContact CG-CB 4.41Å; M6-A11 HydrophobicContact SD-CB 3.93Å; S7-A11 WeakPolarHBondContact O-CB 3.34Å; S7-A11 PolarHBondContact O-N 3.37Å; F9-A11 VanDerWaalsContact C-N 3.31Å; F9-A11 PolarHBondContact O-N 3.2Å; A11-L15 VanDerWaalsContact O-CB 3.31Å; A11-L15 WeakPolarHBondContact O-CB 3.43Å; A11-L15 WeakPolarHBondContact O-CG 3.45Å; A11-L15 PolarHBondContact O-N 2.9Å; A11-L15 VanDerWaalsContact O-N 3.17Å; A11-L26 HydrophobicContact CB-CD1 3.95Å; A11-L26 HydrophobicContact CB-CD2 4.3Å
12Q85.6Confident85.2Confident72 Ų7253.7 Ų53.734%0.33628%0.28SS..Hα-helixtrans-66-48.9176.9179.7174-58.900111.1R8 F9 E10 L15 M16 V47R8-Q12 PolarHBondContact O-N 2.78Å; R8-Q12 VanDerWaalsContact O-N 3.08Å; F9-Q12 WeakPolarHBondContact O-CB 3.23Å; F9-Q12 PolarHBondContact O-N 3.22Å; E10-Q12 VanDerWaalsContact C-N 3.3Å; E10-Q12 PolarHBondContact O-N 2.78Å; Q12-L15 PolarHBondContact O-N 2.69Å; Q12-M16 HydrophobicContact CG-CG 4.33Å; Q12-M16 WeakPolarHBondContact O-CB 3.46Å; Q12-M16 WeakPolarHBondContact O-CG 3.47Å; Q12-M16 PolarHBondContact O-N 2.81Å; Q12-V47 HydrophobicContact CB-CB 4.36Å; Q12-V47 HydrophobicContact CB-CG2 4.4Å; Q12-V47 HydrophobicContact CG-CB 4.1Å; Q12-V47 HydrophobicContact CG-CG2 3.99Å
13N79.7Confident85.2Confident32 Ų3251 Ų5117%0.17127%0.272CS..Hα-helixtrans-61.3-50.9-179.2-72.7-3000111.6F9 E10 L15 M16 E17 D247F9-N13 WeakPolarHBondContact CE1-ND2 3.25Å; F9-N13 VanDerWaalsContact CZ-ND2 3.32Å; F9-N13 WeakPolarHBondContact CZ-ND2 3.43Å; F9-N13 PolarHBondContact O-N 2.88Å; E10-N13 PolarHBondContact O-N 2.82Å; N13-L15 VanDerWaalsContact C-N 3.3Å; N13-L15 PolarHBondContact O-N 2.89Å; N13-M16 PolarHBondContact O-N 3.47Å; N13-E17 WeakPolarHBondContact O-CG 3.42Å; N13-E17 PolarHBondContact O-N 2.78Å; N13-D247 WeakPolarHBondContact CB-OD1 3.33Å; N13-D247 PolarHBondContact ND2-OD1 3.44Å
14I86.6Confident85.6Confident20 Ų2049.3 Ų49.310%0.10326%0.264CS..Hα-helixtrans-59.8-42.7-178.5-63.9167000110.5F3 M6 E10 N20 C92F3-I14 HydrophobicContact CE1-CG2 4.03Å; M6-I14 HydrophobicContact CE-CD1 3.4Å; M6-I14 VanDerWaalsContact CE-CD1 3.4Å; M6-I14 HydrophobicContact SD-CD1 3.98Å; E10-I14 WeakPolarHBondContact O-CB 3.33Å; E10-I14 WeakPolarHBondContact O-CD1 3.48Å; E10-I14 WeakPolarHBondContact O-CG1 3.44Å; E10-I14 PolarHBondContact O-N 3.21Å; I14-N20 PolarHBondContact O-ND2 3.49Å; I14-C92 VanDerWaalsContact CG2-SG 3.54Å
15L90.3Very high86.1Confident0 Ų048.3 Ų48.30%025%0.253CS..Hα-helixtrans-68.1-33.7177.4-82.8169000113A11 Q12 N13 N20 S24 L26 K42 V47 C92A11-L15 VanDerWaalsContact O-CB 3.31Å; A11-L15 WeakPolarHBondContact O-CB 3.43Å; A11-L15 WeakPolarHBondContact O-CG 3.45Å; A11-L15 PolarHBondContact O-N 2.9Å; A11-L15 VanDerWaalsContact O-N 3.17Å; Q12-L15 PolarHBondContact O-N 2.69Å; N13-L15 VanDerWaalsContact C-N 3.3Å; N13-L15 PolarHBondContact O-N 2.89Å; L15-N20 VanDerWaalsContact O-CB 3.28Å; L15-N20 WeakPolarHBondContact O-CB 3.39Å; L15-S24 WeakPolarHBondContact CD2-O 3.21Å; L15-L26 HydrophobicContact CD1-CD2 4.08Å; L15-L26 HydrophobicContact CD1-CG 3.98Å; L15-L26 HydrophobicContact CD2-CD2 4.46Å; L15-L26 HydrophobicContact CG-CD2 3.84Å; L15-L26 HydrophobicContact CG-CG 4.19Å; L15-K42 WeakPolarHBondContact O-CD 3.18Å; L15-V47 HydrophobicContact CB-CG2 3.84Å; L15-V47 HydrophobicContact CD1-CG1 3.64Å; L15-V47 HydrophobicContact CD1-CG2 4.29Å; L15-C92 HydrophobicContact CD2-CB 3.7Å
16M87.3Confident86.8Confident60 Ų6044.9 Ų44.930%0.29623%0.232SC..Hα-helixtrans-76.9-22.6-179.1-71.3-60.9-69.700113.1Q12 N13 K42 N45 V47Q12-M16 HydrophobicContact CG-CG 4.33Å; Q12-M16 WeakPolarHBondContact O-CB 3.46Å; Q12-M16 WeakPolarHBondContact O-CG 3.47Å; Q12-M16 PolarHBondContact O-N 2.81Å; N13-M16 PolarHBondContact O-N 3.47Å; M16-K42 HydrophobicContact SD-CD 4.38Å; M16-K42 HydrophobicContact SD-CG 4.36Å; M16-N45 VanDerWaalsContact CE-O 3.25Å; M16-N45 WeakPolarHBondContact CE-O 2.97Å; M16-V47 HydrophobicContact CG-CG2 3.82Å; M16-V47 HydrophobicContact SD-CG2 3.94Å
17E84.6Confident87.5Confident63 Ų6344.1 Ų44.129%0.29423%0.228SC..SBendtrans-69142.7177.2-76.4179.7164.300113.6N13 N20 K95N13-E17 WeakPolarHBondContact O-CG 3.42Å; N13-E17 PolarHBondContact O-N 2.78Å; E17-N20 VanDerWaalsContact O-CB 3.31Å; E17-N20 WeakPolarHBondContact O-CB 3.24Å; E17-N20 PolarHBondContact O-N 3.05Å; E17-N20 PolarHBondContact O-ND2 3.43Å; E17-K95 VanDerWaalsContact CD-NZ 3.26Å; E17-K95 IonicContact OE1-NZ 3.41Å; E17-K95 PolarHBondContact OE1-NZ 3.03Å; E17-K95 WeakPolarHBondContact OE2-CE 3.3Å; E17-K95 IonicContact OE2-NZ 3.18Å; E17-K95 PolarHBondContact OE2-NZ 3.07Å
18P85.1Confident88.3Confident118 Ų11843.7 Ų43.777%0.76622%0.224SC*.THydrogen-bonded Turntrans-59144.4163.4-2032.4000111.1
19P89.8Confident88.7Confident77 Ų7741.6 Ų41.650%0.522%0.218SC..THydrogen-bonded Turncis-95.624.89.937.9-34.7000113.9D21 H93P19-D21 PolarHBondContact O-N 2.96Å; P19-H93 HydrophobicContact CG-CB 4.4Å
20N91.4Very high89.3Confident7 Ų739 Ų394%0.03721%0.208CC..PPolyproline II helixtrans-72.7117.6-179.3-59.7-74.7000111.4I14 L15 E17 K42 C92 H93I14-N20 PolarHBondContact O-ND2 3.49Å; L15-N20 VanDerWaalsContact O-CB 3.28Å; L15-N20 WeakPolarHBondContact O-CB 3.39Å; E17-N20 VanDerWaalsContact O-CB 3.31Å; E17-N20 WeakPolarHBondContact O-CB 3.24Å; E17-N20 PolarHBondContact O-N 3.05Å; E17-N20 PolarHBondContact O-ND2 3.43Å; N20-K42 PolarHBondContact O-NZ 3.47Å; N20-C92 VanDerWaalsContact OD1-CA 3.3Å; N20-C92 WeakPolarHBondContact OD1-CA 3.4Å; N20-C92 PolarHBondContact OD1-SG 2.85Å; N20-H93 PolarHBondContact OD1-N 3.2Å
21D92.8Very high89.5Confident116 Ų11642 Ų4262%0.6222%0.222SC*.PPolyproline II helixtrans-85.6173.7178-66.7-43.6000112.8P19 S24P19-D21 PolarHBondContact O-N 2.96Å; D21-S24 PolarHBondContact N-OG 3.24Å; D21-S24 WeakPolarHBondContact O-CB 2.85Å; D21-S24 PolarHBondContact O-N 2.8Å; D21-S24 PolarHBondContact O-OG 3.44Å
22E93.1Very high89Confident98 Ų9844.6 Ų44.646%0.45823%0.233SC..THydrogen-bonded Turntrans-50.4144.2170.3-174.667.9-176.600110.9S24 S43 N44E22-S24 PolarHBondContact O-N 2.94Å; E22-S43 WeakPolarHBondContact OE1-CA 3.49Å; E22-N44 PolarHBondContact OE1-N 2.83Å; E22-N44 PolarHBondContact OE2-N 2.81Å
23A93.8Very high88.5Confident21 Ų2149.7 Ų49.717%0.17426%0.257CS..THydrogen-bonded Turntrans672.4-173.300000115.4F25 K42 S87 G89A23-F25 PolarHBondContact O-N 3.09Å; A23-K42 WeakPolarHBondContact CA-O 3.31Å; A23-K42 PolarHBondContact N-O 3.39Å; A23-S87 VanDerWaalsContact CB-O 3.25Å; A23-S87 WeakPolarHBondContact CB-O 3.36Å; A23-G89 WeakPolarHBondContact O-CA 3.33Å; A23-G89 PolarHBondContact O-N 2.99Å
24S96.1Very high88.4Confident0 Ų052.4 Ų52.40%028%0.279CS..  trans-57.2140.9170-67.20000110.9L15 D21 E22 V41 K42 S90L15-S24 WeakPolarHBondContact CD2-O 3.21Å; D21-S24 PolarHBondContact N-OG 3.24Å; D21-S24 WeakPolarHBondContact O-CB 2.85Å; D21-S24 PolarHBondContact O-N 2.8Å; D21-S24 PolarHBondContact O-OG 3.44Å; E22-S24 PolarHBondContact O-N 2.94Å; S24-V41 WeakPolarHBondContact O-CA 3.46Å; S24-K42 PolarHBondContact O-N 3.37Å; S24-S90 VanDerWaalsContact CA-O 3.25Å; S24-S90 WeakPolarHBondContact CA-O 3.25Å; S24-S90 PolarHBondContact OG-OG 2.76Å
25F96.9Very high88Confident2 Ų253.4 Ų53.41%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-143155.8-173.975.8-84.3000114.7W1 A23 L39 S40 V41 V74 L88 G89 S90 P91 C92W1-F25 HydrophobicContact CB-CD2 4.26Å; W1-F25 HydrophobicContact CB-CE2 3.53Å; W1-F25 HydrophobicContact CB-CZ 4Å; W1-F25 HydrophobicContact CG-CE2 4.18Å; A23-F25 PolarHBondContact O-N 3.09Å; F25-L39 HydrophobicContact CB-CD1 4.41Å; F25-L39 HydrophobicContact CD2-CD1 3.89Å; F25-S40 CarbonylContact C-O 3.58Å; F25-S40 VanDerWaalsContact CA-O 3.25Å; F25-S40 WeakPolarHBondContact CA-O 3.44Å; F25-S40 WeakPolarHBondContact CB-O 3.26Å; F25-V41 HydrophobicContact CB-CB 4.47Å; F25-V41 HydrophobicContact CB-CG1 4.28Å; F25-V41 HydrophobicContact CB-CG2 4.1Å; F25-V74 HydrophobicContact CE2-CG1 3.51Å; F25-V74 HydrophobicContact CE2-CG2 4.25Å; F25-V74 HydrophobicContact CZ-CG1 3.6Å; F25-L88 HydrophobicContact CB-CD2 3.56Å; F25-L88 HydrophobicContact CD1-CB 3.93Å; F25-L88 HydrophobicContact CD1-CD2 4.08Å; F25-L88 HydrophobicContact CD1-CG 4.47Å; F25-L88 HydrophobicContact CD2-CD1 4.39Å; F25-L88 HydrophobicContact CD2-CD2 4.13Å; F25-L88 HydrophobicContact CE1-CB 4.13Å; F25-L88 HydrophobicContact CE2-CD1 4.45Å; F25-L88 HydrophobicContact CG-CB 4.36Å; F25-L88 HydrophobicContact CG-CD2 3.67Å; F25-L88 HydrophobicContact CG-CG 4.43Å; F25-G89 WeakPolarHBondContact CE1-O 3.38Å; F25-S90 VanDerWaalsContact CD1-O 3.23Å; F25-S90 WeakPolarHBondContact CD1-O 3.48Å; F25-S90 PolarHBondContact N-O 2.86Å; F25-P91 HydrophobicContact CE1-CG 4.19Å; F25-P91 HydrophobicContact CZ-CG 4.16Å; F25-C92 VanDerWaalsContact O-CB 3.26Å; F25-C92 WeakPolarHBondContact O-CB 3.43Å; F25-C92 PolarHBondContact O-N 3.02Å
26L96.3Very high88Confident0 Ų054.4 Ų54.40%029%0.294CS..EExtended strand (participates in β ladder)trans-140.4156.4168.364.482.7000111.7W1 F3 M6 A11 L15 R28 S40 C92W1-L26 CarbonylContact O-C 3.48Å; W1-L26 WeakPolarHBondContact O-CA 3.1Å; F3-L26 HydrophobicContact CD1-CD2 4.44Å; F3-L26 HydrophobicContact CD2-CB 3.5Å; F3-L26 VanDerWaalsContact CD2-CB 3.5Å; F3-L26 HydrophobicContact CD2-CD2 4.21Å; F3-L26 HydrophobicContact CD2-CG 4.35Å; F3-L26 HydrophobicContact CE2-CB 3.65Å; F3-L26 HydrophobicContact CE2-CD2 4.29Å; F3-L26 HydrophobicContact CG-CB 4.27Å; F3-L26 HydrophobicContact CG-CD2 4.27Å; F3-L26 HydrophobicContact CZ-CD2 4.42Å; M6-L26 HydrophobicContact SD-CD2 4.44Å; A11-L26 HydrophobicContact CB-CD1 3.95Å; A11-L26 HydrophobicContact CB-CD2 4.3Å; L15-L26 HydrophobicContact CD1-CD2 4.08Å; L15-L26 HydrophobicContact CD1-CG 3.98Å; L15-L26 HydrophobicContact CD2-CD2 4.46Å; L15-L26 HydrophobicContact CG-CD2 3.84Å; L15-L26 HydrophobicContact CG-CG 4.19Å; L26-R28 HydrophobicContact CD1-CB 4.09Å; L26-R28 HydrophobicContact CD1-CG 4.26Å; L26-S40 PolarHBondContact N-O 2.76Å; L26-S40 PolarHBondContact O-N 3.17Å; L26-C92 HydrophobicContact CB-CB 3.96Å; L26-C92 HydrophobicContact CD2-CB 4.24Å
27V96.4Very high88.3Confident0 Ų054.5 Ų54.50%029%0.292CS..EExtended strand (participates in β ladder)trans-111.2131.6168.7-179.40000107.8W1 F2 F3 V38 L39 I52 L70 V74W1-V27 HydrophobicContact CE3-CB 3.83Å; W1-V27 HydrophobicContact CE3-CG2 3.67Å; W1-V27 HydrophobicContact CZ3-CB 4Å; W1-V27 HydrophobicContact CZ3-CG1 4.44Å; W1-V27 HydrophobicContact CZ3-CG2 3.94Å; W1-V27 PolarHBondContact O-N 3.07Å; F2-V27 CarbonylContact C-O 3.59Å; F2-V27 WeakPolarHBondContact CA-O 3.25Å; F2-V27 HydrophobicContact CD2-CB 4.13Å; F2-V27 HydrophobicContact CD2-CG1 3.96Å; F2-V27 WeakPolarHBondContact CD2-O 3.15Å; F2-V27 HydrophobicContact CE2-CG1 4.32Å; F3-V27 PolarHBondContact N-O 3.29Å; V27-V38 WeakPolarHBondContact CA-O 3.31Å; V27-L39 HydrophobicContact CG2-CD1 3.88Å; V27-I52 HydrophobicContact CG1-CD1 4.17Å; V27-L70 HydrophobicContact CG1-CD1 4.36Å; V27-L70 HydrophobicContact CG1-CD2 4.47Å; V27-V74 HydrophobicContact CG2-CG2 3.77Å
28R93.6Very high88.8Confident11 Ų1151.8 Ų51.84%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-128.2152.4176.263.5-170.9179.178.64.6110.8G4 M6 L26 Y37 V38G4-R28 CarbonylContact O-C 3.6Å; G4-R28 WeakPolarHBondContact O-CA 3.31Å; M6-R28 HydrophobicContact CB-CB 4.01Å; M6-R28 PolarHBondContact O-NH1 3.02Å; L26-R28 HydrophobicContact CD1-CB 4.09Å; L26-R28 HydrophobicContact CD1-CG 4.26Å; R28-Y37 CarbonylContact O-C 3.55Å; R28-Y37 WeakPolarHBondContact O-CA 3.46Å; R28-V38 HydrophobicContact CG-CB 4.07Å; R28-V38 PolarHBondContact N-O 2.94Å; R28-V38 PolarHBondContact O-N 3.1Å
29K90.1Very high89.3Confident88 Ų8846.1 Ų46.138%0.38324%0.243SC..EExtended strand (participates in β ladder)trans-82.8124.8157.8-170.6177.5177.3-174.40106.8G4 T5 M6 Y37G4-K29 PolarHBondContact O-N 2.76Å; T5-K29 WeakPolarHBondContact CA-O 3.3Å; M6-K29 PolarHBondContact N-O 3.12Å; K29-Y37 HydrophobicContact CB-CD1 4.09Å; K29-Y37 HydrophobicContact CB-CE1 3.98Å; K29-Y37 HydrophobicContact CG-CD1 4.49Å; K29-Y37 HydrophobicContact CG-CE1 4.29Å
30S84.4Confident89.6Confident8 Ų842.5 Ų42.56%0.05622%0.219CC..  trans-63.7138.4173.2-179.80000109.4K32 G36S30-K32 PolarHBondContact O-N 3.11Å; S30-K32 PolarHBondContact OG-N 2.91Å; S30-G36 VanDerWaalsContact CB-O 3.24Å; S30-G36 WeakPolarHBondContact CB-O 3.2Å; S30-G36 PolarHBondContact N-O 3.31Å
31E80.6Confident89.8Confident88 Ų8842.1 Ų42.141%0.41122%0.217SC..SBendtrans-58.1-29.4171.8-69167.6144.300111.5T5 S7 E33T5-E31 HydrophobicContact CG2-CB 4.42Å; T5-E31 HydrophobicContact CG2-CG 3.7Å; S7-E31 WeakPolarHBondContact CA-OE2 3.36Å; S7-E31 WeakPolarHBondContact CB-OE2 3.28Å; E31-E33 PolarHBondContact O-N 3.4Å
32K74.3Confident89.9Confident56 Ų5637.8 Ų37.824%0.24319%0.193CC..SBendtrans-80.7108.6173.8-53.1-174.4-177.5-177.20109.8S30 S34 I35 Y371S30-K32 PolarHBondContact O-N 3.11Å; S30-K32 PolarHBondContact OG-N 2.91Å; K32-S34 PolarHBondContact O-N 2.82Å; K32-S34 VanDerWaalsContact O-N 3.15Å; K32-I35 HydrophobicContact CB-CD1 3.97Å; K32-I35 HydrophobicContact CB-CG1 4.06Å; K32-I35 HydrophobicContact CD-CD1 4.09Å; K32-I35 HydrophobicContact CG-CD1 4.5Å; K32-I35 WeakPolarHBondContact O-CB 3.18Å; K32-I35 PolarHBondContact O-N 2.91Å; K32-Y371 HydrophobicContact CD-CE2 4.22Å; K32-Y371 WeakPolarHBondContact CD-OH 3.32Å; K32-Y371 WeakPolarHBondContact CE-OH 2.96Å; K32-Y371 PolarHBondContact NZ-OH 3.15Å
33E74.7Confident89.8Confident178 Ų17833.5 Ų33.583%0.83217%0.173SC*.THydrogen-bonded Turntrans-53-37-179.5-72.4-168.9155.600112.8E31 I35 G36E31-E33 PolarHBondContact O-N 3.4Å; E33-I35 PolarHBondContact O-N 2.98Å; E33-I35 VanDerWaalsContact O-N 3.14Å; E33-G36 PolarHBondContact O-N 3.47Å
34S77.4Confident89.4Confident90 Ų9038.3 Ų38.363%0.62920%0.196SC*.THydrogen-bonded Turntrans-63.5-17.3179.462.70000114.2K32 R51K32-S34 PolarHBondContact O-N 2.82Å; K32-S34 VanDerWaalsContact O-N 3.15Å; S34-R51 PolarHBondContact O-NH2 3.36Å
35I79.8Confident88.7Confident40 Ų4044.5 Ų44.521%0.20523%0.229CC..THydrogen-bonded Turntrans-93.6-39.8-179.8-61.9-177.1000111K32 E33 V38 R51K32-I35 HydrophobicContact CB-CD1 3.97Å; K32-I35 HydrophobicContact CB-CG1 4.06Å; K32-I35 HydrophobicContact CD-CD1 4.09Å; K32-I35 HydrophobicContact CG-CD1 4.5Å; K32-I35 WeakPolarHBondContact O-CB 3.18Å; K32-I35 PolarHBondContact O-N 2.91Å; E33-I35 PolarHBondContact O-N 2.98Å; E33-I35 VanDerWaalsContact O-N 3.14Å; I35-V38 HydrophobicContact CG2-CG2 3.6Å; I35-R51 HydrophobicContact CG2-CG 4.35Å; I35-R51 PolarHBondContact O-NE 3Å
36G88.3Confident88.2Confident22 Ų2246.8 Ų46.823%0.22725%0.249CC..  trans76.4-133.6-177.900000112.7S30 E33S30-G36 VanDerWaalsContact CB-O 3.24Å; S30-G36 WeakPolarHBondContact CB-O 3.2Å; S30-G36 PolarHBondContact N-O 3.31Å; E33-G36 PolarHBondContact O-N 3.47Å
37Y94.3Very high87.8Confident62 Ų6247.4 Ų47.424%0.24325%0.252CS..EExtended strand (participates in β ladder)trans-84.4150.2-179.5-66.8-77000112F2 R28 K29 I52 F59 L70F2-Y37 HydrophobicContact CE2-CD1 4.08Å; F2-Y37 AromaticContact CE2-CE1 3.83Å; F2-Y37 HydrophobicContact CE2-CE1 3.83Å; F2-Y37 HydrophobicContact CZ-CE1 4.05Å; R28-Y37 CarbonylContact O-C 3.55Å; R28-Y37 WeakPolarHBondContact O-CA 3.46Å; K29-Y37 HydrophobicContact CB-CD1 4.09Å; K29-Y37 HydrophobicContact CB-CE1 3.98Å; K29-Y37 HydrophobicContact CG-CD1 4.49Å; K29-Y37 HydrophobicContact CG-CE1 4.29Å; Y37-I52 PolarHBondContact O-N 2.8Å; Y37-F59 HydrophobicContact CD2-CD1 4.45Å; Y37-F59 AromaticContact CD2-CE1 3.86Å; Y37-F59 HydrophobicContact CD2-CE1 3.86Å; Y37-F59 AromaticContact CE2-CE1 3.92Å; Y37-F59 HydrophobicContact CE2-CE1 3.92Å; Y37-L70 HydrophobicContact CD1-CD1 3.75Å; Y37-L70 HydrophobicContact CD2-CD1 4.31Å; Y37-L70 HydrophobicContact CE1-CD1 3.78Å; Y37-L70 HydrophobicContact CE2-CD1 4.33Å; Y37-L70 HydrophobicContact CG-CD1 4.02Å; Y37-L70 HydrophobicContact CG-CD2 4.32Å
38V95.6Very high87.6Confident5 Ų551.9 Ų51.93%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-139.4128.4179.3-175.10000110V27 R28 I35 H49 F50V27-V38 WeakPolarHBondContact CA-O 3.31Å; R28-V38 HydrophobicContact CG-CB 4.07Å; R28-V38 PolarHBondContact N-O 2.94Å; R28-V38 PolarHBondContact O-N 3.1Å; I35-V38 HydrophobicContact CG2-CG2 3.6Å; V38-H49 HydrophobicContact CG1-CB 3.86Å; V38-F50 CarbonylContact C-O 3.51Å; V38-F50 WeakPolarHBondContact CA-O 3.44Å
39L95.9Very high87.5Confident0 Ų053.3 Ų53.30%028%0.276CS..EExtended strand (participates in β ladder)trans-88.4120.2167.2174.864.1000108.9F25 V27 V41 H49 F50 I52 L82 L88F25-L39 HydrophobicContact CB-CD1 4.41Å; F25-L39 HydrophobicContact CD2-CD1 3.89Å; V27-L39 HydrophobicContact CG2-CD1 3.88Å; L39-V41 HydrophobicContact CD1-CG2 4.28Å; L39-V41 HydrophobicContact CD2-CG2 4.43Å; L39-V41 HydrophobicContact CG-CG2 3.95Å; L39-H49 CarbonylContact O-C 3.59Å; L39-H49 WeakPolarHBondContact O-CA 3.4Å; L39-F50 HydrophobicContact CB-CB 4.31Å; L39-F50 PolarHBondContact N-O 3.22Å; L39-F50 PolarHBondContact O-N 2.91Å; L39-I52 HydrophobicContact CB-CD1 3.95Å; L39-I52 HydrophobicContact CB-CG1 4.3Å; L39-L82 HydrophobicContact CD2-CD2 4.29Å; L39-L88 HydrophobicContact CD1-CD1 4.4Å; L39-L88 HydrophobicContact CD1-CD2 4.04Å; L39-L88 HydrophobicContact CD2-CD1 4.28Å; L39-L88 HydrophobicContact CD2-CD2 4.19Å; L39-L88 HydrophobicContact CG-CD2 4.42Å
40S95.5Very high87.6Confident0 Ų050.5 Ų50.50%026%0.264CS..EExtended strand (participates in β ladder)trans-112.7130.4178-51.30000109.3F25 L26 R48 H49F25-S40 CarbonylContact C-O 3.58Å; F25-S40 VanDerWaalsContact CA-O 3.25Å; F25-S40 WeakPolarHBondContact CA-O 3.44Å; F25-S40 WeakPolarHBondContact CB-O 3.26Å; L26-S40 PolarHBondContact N-O 2.76Å; L26-S40 PolarHBondContact O-N 3.17Å; S40-R48 CarbonylContact C-O 3.59Å; S40-R48 VanDerWaalsContact CA-O 3.29Å; S40-R48 WeakPolarHBondContact CA-O 3.49Å; S40-H49 WeakPolarHBondContact CB-ND1 3.34Å; S40-H49 PolarHBondContact OG-ND1 2.64Å
41V95.9Very high88.1Confident0 Ų056.6 Ų56.60%029%0.286CS..EExtended strand (participates in β ladder)trans-134.1131.5-173.5-1670000110.3S24 F25 L39 S43 V47 R48 F50 V86 L88S24-V41 WeakPolarHBondContact O-CA 3.46Å; F25-V41 HydrophobicContact CB-CB 4.47Å; F25-V41 HydrophobicContact CB-CG1 4.28Å; F25-V41 HydrophobicContact CB-CG2 4.1Å; L39-V41 HydrophobicContact CD1-CG2 4.28Å; L39-V41 HydrophobicContact CD2-CG2 4.43Å; L39-V41 HydrophobicContact CG-CG2 3.95Å; V41-S43 PolarHBondContact O-N 3.44Å; V41-V47 WeakPolarHBondContact O-CA 3.25Å; V41-R48 PolarHBondContact N-O 2.76Å; V41-R48 PolarHBondContact O-N 2.71Å; V41-F50 HydrophobicContact CG2-CD2 4.32Å; V41-F50 HydrophobicContact CG2-CE2 4.17Å; V41-V86 HydrophobicContact CB-CG1 3.88Å; V41-V86 HydrophobicContact CG1-CG1 3.51Å; V41-V86 HydrophobicContact CG2-CG1 4.24Å; V41-L88 HydrophobicContact CB-CD2 4.36Å; V41-L88 HydrophobicContact CG1-CD2 4.01Å; V41-L88 HydrophobicContact CG2-CD2 3.38Å
42K94.4Very high88.7Confident25 Ų2552.4 Ų52.411%0.10927%0.267CS..EExtended strand (participates in β ladder)trans-73.2119.3171.4-177.2169.5-177.2172.10109.4L15 M16 N20 A23 S24 A46L15-K42 WeakPolarHBondContact O-CD 3.18Å; M16-K42 HydrophobicContact SD-CD 4.38Å; M16-K42 HydrophobicContact SD-CG 4.36Å; N20-K42 PolarHBondContact O-NZ 3.47Å; A23-K42 WeakPolarHBondContact CA-O 3.31Å; A23-K42 PolarHBondContact N-O 3.39Å; S24-K42 PolarHBondContact O-N 3.37Å; K42-A46 CarbonylContact C-O 3.58Å; K42-A46 WeakPolarHBondContact CA-O 3.49Å
43S91Very high89.3Confident7 Ų751.2 Ų51.25%0.04927%0.265CS..EExtended strand (participates in β ladder)trans-144.9129.5176.6178.90000111.5E22 V41 N45 A46E22-S43 WeakPolarHBondContact OE1-CA 3.49Å; V41-S43 PolarHBondContact O-N 3.44Å; S43-N45 VanDerWaalsContact C-N 3.33Å; S43-N45 PolarHBondContact O-N 3.3Å; S43-A46 PolarHBondContact N-O 3.3Å; S43-A46 PolarHBondContact O-N 3.41Å; S43-A46 VanDerWaalsContact O-N 3.09Å; S43-A46 VanDerWaalsContact O-O 3.05Å
44N86.3Confident89.8Confident122 Ų12248 Ų4865%0.65225%0.249SC*.THydrogen-bonded Turntrans51.947.9177.2-64-69.1000112.9E22 A46E22-N44 PolarHBondContact OE1-N 2.83Å; E22-N44 PolarHBondContact OE2-N 2.81Å; N44-A46 PolarHBondContact O-N 3.06Å
45N81.3Confident89.9Confident130 Ų13049.6 Ų49.670%0.69525%0.245SC*.THydrogen-bonded Turntrans59.824.4-179.2-155.445.8000114.7M16 S43M16-N45 VanDerWaalsContact CE-O 3.25Å; M16-N45 WeakPolarHBondContact CE-O 2.97Å; S43-N45 VanDerWaalsContact C-N 3.33Å; S43-N45 PolarHBondContact O-N 3.3Å
46A85.7Confident90Very high50 Ų5054.3 Ų54.341%0.41327%0.27SS..EExtended strand (participates in β ladder)trans-136.7170171.900000109.9K42 S43 N44K42-A46 CarbonylContact C-O 3.58Å; K42-A46 WeakPolarHBondContact CA-O 3.49Å; S43-A46 PolarHBondContact N-O 3.3Å; S43-A46 PolarHBondContact O-N 3.41Å; S43-A46 VanDerWaalsContact O-N 3.09Å; S43-A46 VanDerWaalsContact O-O 3.05Å; N44-A46 PolarHBondContact O-N 3.06Å
47V89.2Confident89.6Confident13 Ų1361.2 Ų61.28%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-111125174.2-179.80000109.6Q12 L15 M16 V41Q12-V47 HydrophobicContact CB-CB 4.36Å; Q12-V47 HydrophobicContact CB-CG2 4.4Å; Q12-V47 HydrophobicContact CG-CB 4.1Å; Q12-V47 HydrophobicContact CG-CG2 3.99Å; L15-V47 HydrophobicContact CB-CG2 3.84Å; L15-V47 HydrophobicContact CD1-CG1 3.64Å; L15-V47 HydrophobicContact CD1-CG2 4.29Å; M16-V47 HydrophobicContact CG-CG2 3.82Å; M16-V47 HydrophobicContact SD-CG2 3.94Å; V41-V47 WeakPolarHBondContact O-CA 3.25Å
48R91.8Very high89.4Confident95 Ų9559.1 Ų59.136%0.35829%0.291SS..EExtended strand (participates in β ladder)trans-98.7137.6175.1-65.9-179.9178.1-133.75.5109.4S40 V41 F50S40-R48 CarbonylContact C-O 3.59Å; S40-R48 VanDerWaalsContact CA-O 3.29Å; S40-R48 WeakPolarHBondContact CA-O 3.49Å; V41-R48 PolarHBondContact N-O 2.76Å; V41-R48 PolarHBondContact O-N 2.71Å; R48-F50 HydrophobicContact CB-CE2 3.7Å; R48-F50 HydrophobicContact CB-CZ 3.88Å
49H91.4Very high89.2Confident41 Ų4160 Ų6019%0.1930%0.295CS..EExtended strand (participates in β ladder)trans-119.3126.8-178.1-55.3-83.7000110.4R8 V38 L39 S40R8-H49 WeakPolarHBondContact CG-NE2 3.25Å; R8-H49 PolarHBondContact NE-CD2 3.03Å; R8-H49 VanDerWaalsContact NE-CD2 3.28Å; R8-H49 PolarHBondContact NE-NE2 2.81Å; V38-H49 HydrophobicContact CG1-CB 3.86Å; L39-H49 CarbonylContact O-C 3.59Å; L39-H49 WeakPolarHBondContact O-CA 3.4Å; S40-H49 WeakPolarHBondContact CB-ND1 3.34Å; S40-H49 PolarHBondContact OG-ND1 2.64Å
50F92.8Very high89Confident28 Ų2862 Ų6212%0.12330%0.302CS..EExtended strand (participates in β ladder)trans-118116.9-178.8-56.5-85.4000108.7V38 L39 V41 R48 V61 L82 V86V38-F50 CarbonylContact C-O 3.51Å; V38-F50 WeakPolarHBondContact CA-O 3.44Å; L39-F50 HydrophobicContact CB-CB 4.31Å; L39-F50 PolarHBondContact N-O 3.22Å; L39-F50 PolarHBondContact O-N 2.91Å; V41-F50 HydrophobicContact CG2-CD2 4.32Å; V41-F50 HydrophobicContact CG2-CE2 4.17Å; R48-F50 HydrophobicContact CB-CE2 3.7Å; R48-F50 HydrophobicContact CB-CZ 3.88Å; F50-V61 HydrophobicContact CB-CG1 3.78Å; F50-V61 HydrophobicContact CB-CG2 4.44Å; F50-V61 HydrophobicContact CD1-CG1 4.25Å; F50-V61 HydrophobicContact CG-CG1 4.33Å; F50-L82 HydrophobicContact CB-CD2 4.26Å; F50-L82 HydrophobicContact CD1-CD2 3.52Å; F50-L82 HydrophobicContact CD1-CG 4.46Å; F50-L82 HydrophobicContact CD2-CD2 3.38Å; F50-L82 HydrophobicContact CE1-CD2 3.55Å; F50-L82 HydrophobicContact CE1-CG 4.42Å; F50-L82 HydrophobicContact CE2-CD2 3.41Å; F50-L82 VanDerWaalsContact CE2-CD2 3.41Å; F50-L82 HydrophobicContact CG-CD2 3.43Å; F50-L82 VanDerWaalsContact CG-CD2 3.43Å; F50-L82 HydrophobicContact CZ-CD2 3.49Å; F50-L82 VanDerWaalsContact CZ-CD2 3.49Å; F50-V86 HydrophobicContact CE2-CG2 4.46Å; F50-V86 HydrophobicContact CZ-CB 4.44Å; F50-V86 HydrophobicContact CZ-CG2 3.98Å
51R93.3Very high88.7Confident136 Ų13663.3 Ų63.351%0.51331%0.31SS..EExtended strand (participates in β ladder)trans-64.9137.5175.5-172.9176.2177.1-177.6-5.5108.9S34 I35 P53S34-R51 PolarHBondContact O-NH2 3.36Å; I35-R51 HydrophobicContact CG2-CG 4.35Å; I35-R51 PolarHBondContact O-NE 3Å; R51-P53 HydrophobicContact CG-CG 4.45Å; R51-P53 WeakPolarHBondContact O-CD 3.28Å
52I93.3Very high88.3Confident1 Ų165.3 Ų65.31%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-112.490.9172.1-54.6163000106.9V27 Y37 L39 F59 Y60 V61 L70 L73V27-I52 HydrophobicContact CG1-CD1 4.17Å; Y37-I52 PolarHBondContact O-N 2.8Å; L39-I52 HydrophobicContact CB-CD1 3.95Å; L39-I52 HydrophobicContact CB-CG1 4.3Å; I52-F59 HydrophobicContact CG2-CB 3.86Å; I52-F59 HydrophobicContact CG2-CD1 3.93Å; I52-F59 HydrophobicContact CG2-CG 4.39Å; I52-Y60 WeakPolarHBondContact CA-O 3.29Å; I52-V61 HydrophobicContact CG1-CG2 3.88Å; I52-L70 HydrophobicContact CD1-CD2 3.88Å; I52-L70 HydrophobicContact CG2-CD2 3.97Å; I52-L73 HydrophobicContact CD1-CD1 4.47Å; I52-L73 HydrophobicContact CD1-CD2 4.37Å; I52-L73 HydrophobicContact CG1-CD1 4.33Å; I52-L73 HydrophobicContact CG2-CD1 3.69Å
53P88.4Confident87.7Confident31 Ų3172 Ų7220%0.20135%0.351CS..  trans-59.2145.2170.4-21.334.9000110.3R51 Y60R51-P53 HydrophobicContact CG-CG 4.45Å; R51-P53 WeakPolarHBondContact O-CD 3.28Å; P53-Y60 HydrophobicContact CB-CE1 3.92Å; P53-Y60 HydrophobicContact CB-CE2 4.09Å; P53-Y60 WeakPolarHBondContact CD-O 3.4Å; P53-Y60 HydrophobicContact CG-CD2 4.43Å; P53-Y60 HydrophobicContact CG-CE1 4.49Å; P53-Y60 HydrophobicContact CG-CE2 3.77Å
54H85.2Confident87.4Confident111 Ų11178 Ų7851%0.51439%0.387SS..EExtended strand (participates in β ladder)trans-115.3106.8169.8-179.6-133.4000107.2S58 F59H54-S58 WeakPolarHBondContact CA-O 3.43Å; H54-F59 HydrophobicContact CB-CD1 4.24Å; H54-F59 HydrophobicContact CB-CE1 4.01Å; H54-F59 AromaticContact CD2-CE1 3.64Å; H54-F59 AromaticContact CD2-CE2 3.91Å; H54-F59 AromaticContact CD2-CZ 3.56Å; H54-F59 AromaticContact CG-CE1 3.85Å; H54-F59 AromaticContact NE2-CZ 3.83Å
55K78.4Confident87.5Confident123 Ų12375.2 Ų75.254%0.53537%0.371SS..EExtended strand (participates in β ladder)trans-138.2136.5-178.7-167.5-172.2170.6-171.80108.9E57 S58 Y60K55-E57 PolarHBondContact O-N 2.94Å; K55-S58 PolarHBondContact N-O 2.97Å; K55-S58 VanDerWaalsContact N-O 3.09Å; K55-S58 PolarHBondContact O-N 3.14Å; K55-S58 PolarHBondContact O-OG 3.32Å; K55-Y60 HydrophobicContact CB-CE1 4.42Å
56D81.1Confident88.1Confident138 Ų13874.9 Ų74.974%0.73837%0.365SS*.THydrogen-bonded Turntrans52.942.3178.3-51.2-38.4000112.3S58D56-S58 PolarHBondContact O-N 3.34Å; D56-S58 VanDerWaalsContact O-N 3.13Å
57E81.8Confident88.5Confident168 Ų16873.3 Ų73.379%0.78535%0.349SS*.THydrogen-bonded Turntrans59.916.7-176.7-55.5-167.6157.400115.5K55K55-E57 PolarHBondContact O-N 2.94Å
58S89.2Confident88.7Confident17 Ų1777.3 Ų77.312%0.11938%0.377CS..EExtended strand (participates in β ladder)trans-116.3146.5177.773.80000112.4H54 K55 D56 F67H54-S58 WeakPolarHBondContact CA-O 3.43Å; K55-S58 PolarHBondContact N-O 2.97Å; K55-S58 VanDerWaalsContact N-O 3.09Å; K55-S58 PolarHBondContact O-N 3.14Å; K55-S58 PolarHBondContact O-OG 3.32Å; D56-S58 PolarHBondContact O-N 3.34Å; D56-S58 VanDerWaalsContact O-N 3.13Å; S58-F67 CarbonylContact C-O 3.55Å; S58-F67 WeakPolarHBondContact CA-O 3.36Å
59F91.8Very high88.8Confident25 Ų2574.7 Ų74.711%0.1137%0.374CS..EExtended strand (participates in β ladder)trans-107140173.3-59.4-87.8000109.2Y37 I52 H54 F67 L70 L73Y37-F59 HydrophobicContact CD2-CD1 4.45Å; Y37-F59 AromaticContact CD2-CE1 3.86Å; Y37-F59 HydrophobicContact CD2-CE1 3.86Å; Y37-F59 AromaticContact CE2-CE1 3.92Å; Y37-F59 HydrophobicContact CE2-CE1 3.92Å; I52-F59 HydrophobicContact CG2-CB 3.86Å; I52-F59 HydrophobicContact CG2-CD1 3.93Å; I52-F59 HydrophobicContact CG2-CG 4.39Å; H54-F59 HydrophobicContact CB-CD1 4.24Å; H54-F59 HydrophobicContact CB-CE1 4.01Å; H54-F59 AromaticContact CD2-CE1 3.64Å; H54-F59 AromaticContact CD2-CE2 3.91Å; H54-F59 AromaticContact CD2-CZ 3.56Å; H54-F59 AromaticContact CG-CE1 3.85Å; H54-F59 AromaticContact NE2-CZ 3.83Å; F59-F67 PolarHBondContact N-O 3.28Å; F59-F67 WeakPolarHBondContact O-CD2 3.33Å; F59-F67 PolarHBondContact O-N 2.98Å; F59-L70 HydrophobicContact CB-CD2 4.48Å; F59-L70 HydrophobicContact CD1-CD2 3.53Å; F59-L70 HydrophobicContact CD1-CG 3.93Å; F59-L70 HydrophobicContact CE1-CD1 4.43Å; F59-L70 HydrophobicContact CE1-CD2 3.93Å; F59-L70 HydrophobicContact CE1-CG 3.88Å; F59-L70 HydrophobicContact CG-CD2 4.04Å; F59-L70 HydrophobicContact CG-CG 4.33Å; F59-L70 HydrophobicContact CZ-CG 4.26Å; F59-L73 HydrophobicContact CB-CD1 3.94Å
60Y91.4Very high88.9Confident41 Ų4173.9 Ų73.916%0.16137%0.371CS..EExtended strand (participates in β ladder)trans-152.2158.817559.5-88.3000110.7I52 P53 K55 Q63 Q65I52-Y60 WeakPolarHBondContact CA-O 3.29Å; P53-Y60 HydrophobicContact CB-CE1 3.92Å; P53-Y60 HydrophobicContact CB-CE2 4.09Å; P53-Y60 WeakPolarHBondContact CD-O 3.4Å; P53-Y60 HydrophobicContact CG-CD2 4.43Å; P53-Y60 HydrophobicContact CG-CE1 4.49Å; P53-Y60 HydrophobicContact CG-CE2 3.77Å; K55-Y60 HydrophobicContact CB-CE1 4.42Å; Y60-Q63 HydrophobicContact CD2-CG 4.44Å; Y60-Q63 HydrophobicContact CE2-CG 4.1Å; Y60-Q65 WeakPolarHBondContact CB-O 3.29Å
61V89.2Confident89Confident27 Ų2773.5 Ų73.516%0.16438%0.375CS..SBendtrans-112-50.9164.1177.10000108.8F50 I52 L73 Y77 L82F50-V61 HydrophobicContact CB-CG1 3.78Å; F50-V61 HydrophobicContact CB-CG2 4.44Å; F50-V61 HydrophobicContact CD1-CG1 4.25Å; F50-V61 HydrophobicContact CG-CG1 4.33Å; I52-V61 HydrophobicContact CG1-CG2 3.88Å; V61-L73 HydrophobicContact CG2-CD1 4.27Å; V61-L73 HydrophobicContact CG2-CD2 4.36Å; V61-Y77 HydrophobicContact CB-CE2 4.27Å; V61-Y77 HydrophobicContact CG2-CE2 4.29Å; V61-L82 HydrophobicContact CB-CD1 3.92Å; V61-L82 HydrophobicContact CG1-CD1 3.77Å; V61-L82 HydrophobicContact CG1-CD2 4.43Å; V61-L82 HydrophobicContact CG1-CG 4.41Å; V61-L82 HydrophobicContact CG2-CD1 4.31Å
62E87.1Confident89Confident43 Ų4370.2 Ų70.220%0.20137%0.367CS..SBendtrans-93.6133.5169.5-66.9158.9133.800109.3T64 Q65 Y77 N83E62-T64 PolarHBondContact O-N 3.37Å; E62-Q65 PolarHBondContact O-N 2.99Å; E62-Q65 VanDerWaalsContact O-N 3.1Å; E62-Q65 VanDerWaalsContact O-O 3.12Å; E62-Y77 VanDerWaalsContact OE2-CE1 3.29Å; E62-Y77 WeakPolarHBondContact OE2-CE1 3.32Å; E62-Y77 PolarHBondContact OE2-OH 2.94Å; E62-N83 WeakPolarHBondContact CG-OD1 3.35Å; E62-N83 VanDerWaalsContact OE1-CA 3.28Å; E62-N83 WeakPolarHBondContact OE1-CA 3.46Å; E62-N83 PolarHBondContact OE1-N 2.89Å; E62-N83 PolarHBondContact OE1-OD1 2.93Å; E62-N83 VanDerWaalsContact OE1-OD1 3.07Å
63Q82.2Confident89.1Confident165 Ų16570.1 Ų70.177%0.77137%0.367SS*.THydrogen-bonded Turntrans-61.9-20.2-176.3-68.8-175.8-2.800113.8Y60 Q65Y60-Q63 HydrophobicContact CD2-CG 4.44Å; Y60-Q63 HydrophobicContact CE2-CG 4.1Å; Q63-Q65 VanDerWaalsContact C-N 3.29Å
64T85.3Confident89.4Confident132 Ų13268.8 Ų68.881%0.8136%0.358SS*.THydrogen-bonded Turntrans-74.3-17.9179.147.90000113.4E62E62-T64 PolarHBondContact O-N 3.37Å
65Q88.9Confident89.8Confident65 Ų6568 Ų6830%0.30436%0.358SS..  trans-131.8114.2-175.1-169.664.849.600110.9Y60 E62 Q63 F67 Y76Y60-Q65 WeakPolarHBondContact CB-O 3.29Å; E62-Q65 PolarHBondContact O-N 2.99Å; E62-Q65 VanDerWaalsContact O-N 3.1Å; E62-Q65 VanDerWaalsContact O-O 3.12Å; Q63-Q65 VanDerWaalsContact C-N 3.29Å; Q65-F67 HydrophobicContact CB-CE2 4.34Å; Q65-F67 HydrophobicContact CB-CZ 4.29Å; Q65-F67 HydrophobicContact CG-CE1 3.83Å; Q65-F67 HydrophobicContact CG-CE2 3.68Å; Q65-F67 HydrophobicContact CG-CZ 3.23Å; Q65-Y76 HydrophobicContact CG-CD1 4.46Å; Q65-Y76 HydrophobicContact CG-CE1 4.1Å; Q65-Y76 HydrophobicContact CG-CE2 4.38Å
66Q92.7Very high90.5Very high122 Ų12265.5 Ų65.557%0.5735%0.345SS*.EExtended strand (participates in β ladder)trans-111.7149.4-179.3-64.7-179.6-6.300111.2
67F94.4Very high91.1Very high17 Ų1759 Ų598%0.07531%0.31CS..EExtended strand (participates in β ladder)trans-135.6142.8-175.1-55.3-79.5000111.2S58 F59 Q65 S69 D72 L73 Y76 Y77S58-F67 CarbonylContact C-O 3.55Å; S58-F67 WeakPolarHBondContact CA-O 3.36Å; F59-F67 PolarHBondContact N-O 3.28Å; F59-F67 WeakPolarHBondContact O-CD2 3.33Å; F59-F67 PolarHBondContact O-N 2.98Å; Q65-F67 HydrophobicContact CB-CE2 4.34Å; Q65-F67 HydrophobicContact CB-CZ 4.29Å; Q65-F67 HydrophobicContact CG-CE1 3.83Å; Q65-F67 HydrophobicContact CG-CE2 3.68Å; Q65-F67 HydrophobicContact CG-CZ 3.23Å; F67-S69 VanDerWaalsContact C-N 3.31Å; F67-D72 HydrophobicContact CB-CB 4.18Å; F67-D72 HydrophobicContact CD1-CB 4.13Å; F67-L73 HydrophobicContact CB-CB 4.03Å; F67-L73 HydrophobicContact CD1-CB 4.44Å; F67-L73 HydrophobicContact CD2-CB 3.55Å; F67-L73 HydrophobicContact CD2-CD1 3.82Å; F67-L73 HydrophobicContact CD2-CG 3.63Å; F67-L73 HydrophobicContact CE2-CB 4.05Å; F67-L73 HydrophobicContact CE2-CD1 4.28Å; F67-L73 HydrophobicContact CE2-CG 3.81Å; F67-L73 HydrophobicContact CG-CB 3.75Å; F67-L73 HydrophobicContact CG-CG 4.35Å; F67-Y76 HydrophobicContact CE1-CD1 4.13Å; F67-Y76 AromaticContact CE1-CD2 3.97Å; F67-Y76 HydrophobicContact CE1-CD2 3.97Å; F67-Y76 AromaticContact CE1-CG 3.57Å; F67-Y76 HydrophobicContact CE1-CG 3.57Å; F67-Y76 AromaticContact CZ-CD1 3.57Å; F67-Y76 HydrophobicContact CZ-CD1 3.57Å; F67-Y76 HydrophobicContact CZ-CD2 4.2Å; F67-Y76 HydrophobicContact CZ-CE1 4.29Å; F67-Y76 AromaticContact CZ-CG 3.51Å; F67-Y76 HydrophobicContact CZ-CG 3.51Å; F67-Y77 AromaticContact CE2-CE2 3.85Å; F67-Y77 HydrophobicContact CE2-CE2 3.85Å; F67-Y77 HydrophobicContact CZ-CE2 4.17Å
68S93.3Very high91.6Very high97 Ų9753.5 Ų53.568%0.67829%0.29SS*.SBendtrans-74.2-18.9176.139.80000113.9D72S68-D72 PolarHBondContact OG-OD2 3.06Å
69S94.4Very high91.7Very high41 Ų4161.1 Ų61.129%0.28732%0.321SS..SBendtrans-148.9157.4179.676.80000112F67 G71 D72 L73F67-S69 VanDerWaalsContact C-N 3.31Å; S69-G71 PolarHBondContact O-N 3.36Å; S69-G71 PolarHBondContact OG-N 2.9Å; S69-D72 WeakPolarHBondContact CB-OD2 3.28Å; S69-D72 PolarHBondContact N-OD2 3.08Å; S69-D72 PolarHBondContact O-N 3.42Å; S69-D72 PolarHBondContact OG-N 3.39Å; S69-D72 PolarHBondContact OG-OD2 3.17Å; S69-L73 PolarHBondContact O-N 3.32Å; S69-L73 VanDerWaalsContact O-N 3.15Å
70L92.9Very high91.6Very high23 Ų2364 Ų6412%0.1234%0.335CS..Hα-helixtrans-59.6-30.2170.2-69.3173.9000112.2W1 V27 Y37 I52 F59 V74W1-L70 HydrophobicContact CH2-CB 4.08Å; W1-L70 HydrophobicContact CZ3-CB 4.24Å; V27-L70 HydrophobicContact CG1-CD1 4.36Å; V27-L70 HydrophobicContact CG1-CD2 4.47Å; Y37-L70 HydrophobicContact CD1-CD1 3.75Å; Y37-L70 HydrophobicContact CD2-CD1 4.31Å; Y37-L70 HydrophobicContact CE1-CD1 3.78Å; Y37-L70 HydrophobicContact CE2-CD1 4.33Å; Y37-L70 HydrophobicContact CG-CD1 4.02Å; Y37-L70 HydrophobicContact CG-CD2 4.32Å; I52-L70 HydrophobicContact CD1-CD2 3.88Å; I52-L70 HydrophobicContact CG2-CD2 3.97Å; F59-L70 HydrophobicContact CB-CD2 4.48Å; F59-L70 HydrophobicContact CD1-CD2 3.53Å; F59-L70 HydrophobicContact CD1-CG 3.93Å; F59-L70 HydrophobicContact CE1-CD1 4.43Å; F59-L70 HydrophobicContact CE1-CD2 3.93Å; F59-L70 HydrophobicContact CE1-CG 3.88Å; F59-L70 HydrophobicContact CG-CD2 4.04Å; F59-L70 HydrophobicContact CG-CG 4.33Å; F59-L70 HydrophobicContact CZ-CG 4.26Å; L70-V74 WeakPolarHBondContact O-CB 3.35Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3Å; L70-V74 PolarHBondContact O-N 2.91Å
71G94.9Very high91.4Very high20 Ų2064.6 Ų64.621%0.20635%0.345CS..Hα-helixtrans-65.6-44.5176.300000112.1S69 V74 N75S69-G71 PolarHBondContact O-N 3.36Å; S69-G71 PolarHBondContact OG-N 2.9Å; G71-V74 PolarHBondContact O-N 2.91Å; G71-N75 WeakPolarHBondContact O-CB 3.24Å; G71-N75 PolarHBondContact O-N 3.29Å; G71-N75 PolarHBondContact O-ND2 3.18Å
72D93.9Very high91.2Very high67 Ų6763.4 Ų63.436%0.35834%0.338SS..Hα-helixtrans-64.5-42.4177.9-58.6-40.8000111.4F67 S68 S69 N75 Y76F67-D72 HydrophobicContact CB-CB 4.18Å; F67-D72 HydrophobicContact CD1-CB 4.13Å; S68-D72 PolarHBondContact OG-OD2 3.06Å; S69-D72 WeakPolarHBondContact CB-OD2 3.28Å; S69-D72 PolarHBondContact N-OD2 3.08Å; S69-D72 PolarHBondContact O-N 3.42Å; S69-D72 PolarHBondContact OG-N 3.39Å; S69-D72 PolarHBondContact OG-OD2 3.17Å; D72-N75 PolarHBondContact O-N 3.18Å; D72-Y76 WeakPolarHBondContact O-CB 3.5Å; D72-Y76 PolarHBondContact O-N 2.84Å
73L94.6Very high90.7Very high0 Ų065 Ų650%035%0.347CS..Hα-helixtrans-57.7-50.4175-175.2156000111.4I52 F59 V61 F67 S69 Y76 Y77I52-L73 HydrophobicContact CD1-CD1 4.47Å; I52-L73 HydrophobicContact CD1-CD2 4.37Å; I52-L73 HydrophobicContact CG1-CD1 4.33Å; I52-L73 HydrophobicContact CG2-CD1 3.69Å; F59-L73 HydrophobicContact CB-CD1 3.94Å; V61-L73 HydrophobicContact CG2-CD1 4.27Å; V61-L73 HydrophobicContact CG2-CD2 4.36Å; F67-L73 HydrophobicContact CB-CB 4.03Å; F67-L73 HydrophobicContact CD1-CB 4.44Å; F67-L73 HydrophobicContact CD2-CB 3.55Å; F67-L73 HydrophobicContact CD2-CD1 3.82Å; F67-L73 HydrophobicContact CD2-CG 3.63Å; F67-L73 HydrophobicContact CE2-CB 4.05Å; F67-L73 HydrophobicContact CE2-CD1 4.28Å; F67-L73 HydrophobicContact CE2-CG 3.81Å; F67-L73 HydrophobicContact CG-CB 3.75Å; F67-L73 HydrophobicContact CG-CG 4.35Å; S69-L73 PolarHBondContact O-N 3.32Å; S69-L73 VanDerWaalsContact O-N 3.15Å; L73-Y76 PolarHBondContact O-N 2.85Å; L73-Y77 HydrophobicContact CD2-CD2 3.84Å; L73-Y77 HydrophobicContact CD2-CE2 4.16Å; L73-Y77 HydrophobicContact CG-CD2 4.09Å; L73-Y77 HydrophobicContact CG-CE2 4.06Å; L73-Y77 VanDerWaalsContact O-CD2 3.28Å; L73-Y77 WeakPolarHBondContact O-CD2 3.43Å; L73-Y77 PolarHBondContact O-N 2.92Å; L73-Y77 VanDerWaalsContact O-N 3.15Å
74V94.9Very high90.4Very high3 Ų364.3 Ų64.32%0.01835%0.349CS..Hα-helixtrans-62.3-47.1178.31670000110.8W1 F25 V27 L70 G71 Y76 Y77 C78W1-V74 HydrophobicContact CD2-CG1 4.44Å; W1-V74 HydrophobicContact CD2-CG2 4.29Å; W1-V74 HydrophobicContact CE3-CG2 3.97Å; W1-V74 HydrophobicContact CG-CG1 4.49Å; W1-V74 HydrophobicContact CH2-CG2 4.44Å; W1-V74 HydrophobicContact CZ3-CG2 4.05Å; F25-V74 HydrophobicContact CE2-CG1 3.51Å; F25-V74 HydrophobicContact CE2-CG2 4.25Å; F25-V74 HydrophobicContact CZ-CG1 3.6Å; V27-V74 HydrophobicContact CG2-CG2 3.77Å; L70-V74 WeakPolarHBondContact O-CB 3.35Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3Å; L70-V74 PolarHBondContact O-N 2.91Å; G71-V74 PolarHBondContact O-N 2.91Å; V74-Y76 PolarHBondContact O-N 3.36Å; V74-Y77 PolarHBondContact O-N 3.27Å; V74-C78 PolarHBondContact O-N 2.95Å; V74-C78 PolarHBondContact O-SG 3.07Å
75N93.3Very high89.8Confident94 Ų9463 Ų6350%0.50334%0.336SS..Hα-helixtrans-60.1-35.7-179.9-74.1-25.6000112.7G71 D72G71-N75 WeakPolarHBondContact O-CB 3.24Å; G71-N75 PolarHBondContact O-N 3.29Å; G71-N75 PolarHBondContact O-ND2 3.18Å; D72-N75 PolarHBondContact O-N 3.18Å
76Y93.3Very high89.4Confident70 Ų7060.1 Ų60.128%0.27532%0.323SS..Hα-helixtrans-67.3-50.7176.1-179.6-89.2000111.7Q65 F67 D72 L73 V74 C78 K79 H80Q65-Y76 HydrophobicContact CG-CD1 4.46Å; Q65-Y76 HydrophobicContact CG-CE1 4.1Å; Q65-Y76 HydrophobicContact CG-CE2 4.38Å; F67-Y76 HydrophobicContact CE1-CD1 4.13Å; F67-Y76 AromaticContact CE1-CD2 3.97Å; F67-Y76 HydrophobicContact CE1-CD2 3.97Å; F67-Y76 AromaticContact CE1-CG 3.57Å; F67-Y76 HydrophobicContact CE1-CG 3.57Å; F67-Y76 AromaticContact CZ-CD1 3.57Å; F67-Y76 HydrophobicContact CZ-CD1 3.57Å; F67-Y76 HydrophobicContact CZ-CD2 4.2Å; F67-Y76 HydrophobicContact CZ-CE1 4.29Å; F67-Y76 AromaticContact CZ-CG 3.51Å; F67-Y76 HydrophobicContact CZ-CG 3.51Å; D72-Y76 WeakPolarHBondContact O-CB 3.5Å; D72-Y76 PolarHBondContact O-N 2.84Å; L73-Y76 PolarHBondContact O-N 2.85Å; V74-Y76 PolarHBondContact O-N 3.36Å; Y76-C78 VanDerWaalsContact C-N 3.28Å; Y76-C78 PolarHBondContact O-N 3.37Å; Y76-K79 CarbonylContact O-C 3.49Å; Y76-K79 WeakPolarHBondContact O-CA 3.07Å; Y76-K79 PolarHBondContact O-N 2.91Å; Y76-H80 HydrophobicContact CD1-CB 4.18Å; Y76-H80 AromaticContact CD1-ND1 3.98Å; Y76-H80 AromaticContact CD2-CE1 3.86Å; Y76-H80 AromaticContact CD2-ND1 3.65Å; Y76-H80 HydrophobicContact CE1-CB 3.73Å; Y76-H80 AromaticContact CE1-CG 3.84Å; Y76-H80 AromaticContact CE1-ND1 3.91Å; Y76-H80 AromaticContact CE2-CE1 3.64Å; Y76-H80 AromaticContact CE2-ND1 3.58Å; Y76-H80 AromaticContact CG-ND1 3.86Å; Y76-H80 AromaticContact CZ-CG 3.69Å; Y76-H80 AromaticContact CZ-ND1 3.71Å; Y76-H80 PolarHBondContact O-N 3.12Å; Y76-H80 PolarHBondContact O-ND1 3.15Å
77Y93.2Very high89.1Confident1 Ų157.3 Ų57.30%0.00432%0.317CS..Hα-helixtrans-77.1-9.5-177.5-70.3-60.9000114.4V61 E62 F67 L73 V74 H80 L82 L88V61-Y77 HydrophobicContact CB-CE2 4.27Å; V61-Y77 HydrophobicContact CG2-CE2 4.29Å; E62-Y77 VanDerWaalsContact OE2-CE1 3.29Å; E62-Y77 WeakPolarHBondContact OE2-CE1 3.32Å; E62-Y77 PolarHBondContact OE2-OH 2.94Å; F67-Y77 AromaticContact CE2-CE2 3.85Å; F67-Y77 HydrophobicContact CE2-CE2 3.85Å; F67-Y77 HydrophobicContact CZ-CE2 4.17Å; L73-Y77 HydrophobicContact CD2-CD2 3.84Å; L73-Y77 HydrophobicContact CD2-CE2 4.16Å; L73-Y77 HydrophobicContact CG-CD2 4.09Å; L73-Y77 HydrophobicContact CG-CE2 4.06Å; L73-Y77 VanDerWaalsContact O-CD2 3.28Å; L73-Y77 WeakPolarHBondContact O-CD2 3.43Å; L73-Y77 PolarHBondContact O-N 2.92Å; L73-Y77 VanDerWaalsContact O-N 3.15Å; V74-Y77 PolarHBondContact O-N 3.27Å; Y77-H80 CarbonylContact C-O 3.57Å; Y77-H80 WeakPolarHBondContact CA-O 3.44Å; Y77-L82 HydrophobicContact CD1-CB 4Å; Y77-L82 HydrophobicContact CD1-CD1 3.49Å; Y77-L82 VanDerWaalsContact CD1-CD1 3.49Å; Y77-L82 HydrophobicContact CD1-CG 4.38Å; Y77-L82 HydrophobicContact CD2-CD1 3.84Å; Y77-L82 HydrophobicContact CE1-CB 4.23Å; Y77-L82 HydrophobicContact CE1-CD1 3.22Å; Y77-L82 HydrophobicContact CE1-CG 4.28Å; Y77-L82 HydrophobicContact CE2-CD1 3.57Å; Y77-L82 HydrophobicContact CG-CD1 3.8Å; Y77-L88 VanDerWaalsContact CB-CD1 3.42Å; Y77-L88 WeakPolarHBondContact O-CB 3.38Å; Y77-L88 PolarHBondContact O-N 2.99Å
78C92.1Very high89.1Confident54 Ų5457.1 Ų57.137%0.36532%0.317SS..THydrogen-bonded Turntrans-71.5-15.6161.9-71.10000112.9V74 Y76V74-C78 PolarHBondContact O-N 2.95Å; V74-C78 PolarHBondContact O-SG 3.07Å; Y76-C78 VanDerWaalsContact C-N 3.28Å; Y76-C78 PolarHBondContact O-N 3.37Å
79K91.6Very high89Confident176 Ų17654.4 Ų54.477%0.76530%0.304SS*.THydrogen-bonded Turntrans-114.6-18.5-179.4-61.3177.5-174.8176.80113.3Y76Y76-K79 CarbonylContact O-C 3.49Å; Y76-K79 WeakPolarHBondContact O-CA 3.07Å; Y76-K79 PolarHBondContact O-N 2.91Å
80H90.1Very high88.9Confident86 Ų8654.7 Ų54.740%0.39831%0.306SS..SBendtrans-129.8143.8-176.5-5584.2000109.9Y76 Y77Y76-H80 HydrophobicContact CD1-CB 4.18Å; Y76-H80 AromaticContact CD1-ND1 3.98Å; Y76-H80 AromaticContact CD2-CE1 3.86Å; Y76-H80 AromaticContact CD2-ND1 3.65Å; Y76-H80 HydrophobicContact CE1-CB 3.73Å; Y76-H80 AromaticContact CE1-CG 3.84Å; Y76-H80 AromaticContact CE1-ND1 3.91Å; Y76-H80 AromaticContact CE2-CE1 3.64Å; Y76-H80 AromaticContact CE2-ND1 3.58Å; Y76-H80 AromaticContact CG-ND1 3.86Å; Y76-H80 AromaticContact CZ-CG 3.69Å; Y76-H80 AromaticContact CZ-ND1 3.71Å; Y76-H80 PolarHBondContact O-N 3.12Å; Y76-H80 PolarHBondContact O-ND1 3.15Å; Y77-H80 CarbonylContact C-O 3.57Å; Y77-H80 WeakPolarHBondContact CA-O 3.44Å
81S86.8Confident89.1Confident54 Ų5456.7 Ų56.738%0.37832%0.32SS..  trans-70.2139.5175.3-64.60000111.2V86 S87S81-V86 CarbonylContact C-O 3.6Å; S81-S87 PolarHBondContact OG-OG 2.84Å
82L85.1Confident89Confident1 Ų156 Ų561%0.00531%0.312CS..BIsolated β-bridgetrans-88.4122.6174.7-170.984.3000109.4L39 F50 V61 Y77 D84 I85 V86L39-L82 HydrophobicContact CD2-CD2 4.29Å; F50-L82 HydrophobicContact CB-CD2 4.26Å; F50-L82 HydrophobicContact CD1-CD2 3.52Å; F50-L82 HydrophobicContact CD1-CG 4.46Å; F50-L82 HydrophobicContact CD2-CD2 3.38Å; F50-L82 HydrophobicContact CE1-CD2 3.55Å; F50-L82 HydrophobicContact CE1-CG 4.42Å; F50-L82 HydrophobicContact CE2-CD2 3.41Å; F50-L82 VanDerWaalsContact CE2-CD2 3.41Å; F50-L82 HydrophobicContact CG-CD2 3.43Å; F50-L82 VanDerWaalsContact CG-CD2 3.43Å; F50-L82 HydrophobicContact CZ-CD2 3.49Å; F50-L82 VanDerWaalsContact CZ-CD2 3.49Å; V61-L82 HydrophobicContact CB-CD1 3.92Å; V61-L82 HydrophobicContact CG1-CD1 3.77Å; V61-L82 HydrophobicContact CG1-CD2 4.43Å; V61-L82 HydrophobicContact CG1-CG 4.41Å; V61-L82 HydrophobicContact CG2-CD1 4.31Å; Y77-L82 HydrophobicContact CD1-CB 4Å; Y77-L82 HydrophobicContact CD1-CD1 3.49Å; Y77-L82 VanDerWaalsContact CD1-CD1 3.49Å; Y77-L82 HydrophobicContact CD1-CG 4.38Å; Y77-L82 HydrophobicContact CD2-CD1 3.84Å; Y77-L82 HydrophobicContact CE1-CB 4.23Å; Y77-L82 HydrophobicContact CE1-CD1 3.22Å; Y77-L82 HydrophobicContact CE1-CG 4.28Å; Y77-L82 HydrophobicContact CE2-CD1 3.57Å; Y77-L82 HydrophobicContact CG-CD1 3.8Å; L82-D84 PolarHBondContact O-N 2.8Å; L82-D84 VanDerWaalsContact O-N 3.12Å; L82-I85 PolarHBondContact O-N 3.14Å; L82-I85 VanDerWaalsContact O-N 3.1Å; L82-V86 WeakPolarHBondContact CB-O 3.39Å; L82-V86 PolarHBondContact N-O 3.42Å; L82-V86 PolarHBondContact O-N 2.79Å; L82-V86 VanDerWaalsContact O-N 3.17Å
83N77.7Confident88.8Confident76 Ų7657.4 Ų57.441%0.40632%0.316SS..THydrogen-bonded Turntrans50.628-174.1-67.4-23.7000113.7E62 I85E62-N83 WeakPolarHBondContact CG-OD1 3.35Å; E62-N83 VanDerWaalsContact OE1-CA 3.28Å; E62-N83 WeakPolarHBondContact OE1-CA 3.46Å; E62-N83 PolarHBondContact OE1-N 2.89Å; E62-N83 PolarHBondContact OE1-OD1 2.93Å; E62-N83 VanDerWaalsContact OE1-OD1 3.07Å; N83-I85 HydrophobicContact CB-CD1 4.35Å; N83-I85 WeakPolarHBondContact O-CD1 3.47Å; N83-I85 WeakPolarHBondContact O-CG1 3.31Å; N83-I85 PolarHBondContact O-N 3.08Å
84D74.7Confident88Confident152 Ų15263.8 Ų63.881%0.81334%0.344SS*.THydrogen-bonded Turntrans54.712.8-173-62.9-42.7000115.9L82L82-D84 PolarHBondContact O-N 2.8Å; L82-D84 VanDerWaalsContact O-N 3.12Å
85I72.8Confident86.6Confident103 Ų10368.7 Ų68.753%0.52837%0.365SS..THydrogen-bonded Turntrans-119.4-27.4-172.3-62.7155.1000112.2L82 N83L82-I85 PolarHBondContact O-N 3.14Å; L82-I85 VanDerWaalsContact O-N 3.1Å; N83-I85 HydrophobicContact CB-CD1 4.35Å; N83-I85 WeakPolarHBondContact O-CD1 3.47Å; N83-I85 WeakPolarHBondContact O-CG1 3.31Å; N83-I85 PolarHBondContact O-N 3.08Å
86V81.8Confident84.7Confident5 Ų573.4 Ų73.43%0.0338%0.381CS..BIsolated β-bridgetrans-134.2131-172.7-177.10000110.7V41 F50 S81 L82V41-V86 HydrophobicContact CB-CG1 3.88Å; V41-V86 HydrophobicContact CG1-CG1 3.51Å; V41-V86 HydrophobicContact CG2-CG1 4.24Å; F50-V86 HydrophobicContact CE2-CG2 4.46Å; F50-V86 HydrophobicContact CZ-CB 4.44Å; F50-V86 HydrophobicContact CZ-CG2 3.98Å; S81-V86 CarbonylContact C-O 3.6Å; L82-V86 WeakPolarHBondContact CB-O 3.39Å; L82-V86 PolarHBondContact N-O 3.42Å; L82-V86 PolarHBondContact O-N 2.79Å; L82-V86 VanDerWaalsContact O-N 3.17Å
87S85.8Confident82.4Confident64 Ų6475 Ų7545%0.44840%0.4SS..  trans-107.5147.1169.8-51.30000109.8A23 S81A23-S87 VanDerWaalsContact CB-O 3.25Å; A23-S87 WeakPolarHBondContact CB-O 3.36Å; S81-S87 PolarHBondContact OG-OG 2.84Å
88L93.3Very high80.2Confident13 Ų1380.9 Ų80.97%0.06843%0.432CS..  trans-86.8127.7172.7-59.7177.1000110.3F25 L39 V41 Y77F25-L88 HydrophobicContact CB-CD2 3.56Å; F25-L88 HydrophobicContact CD1-CB 3.93Å; F25-L88 HydrophobicContact CD1-CD2 4.08Å; F25-L88 HydrophobicContact CD1-CG 4.47Å; F25-L88 HydrophobicContact CD2-CD1 4.39Å; F25-L88 HydrophobicContact CD2-CD2 4.13Å; F25-L88 HydrophobicContact CE1-CB 4.13Å; F25-L88 HydrophobicContact CE2-CD1 4.45Å; F25-L88 HydrophobicContact CG-CB 4.36Å; F25-L88 HydrophobicContact CG-CD2 3.67Å; F25-L88 HydrophobicContact CG-CG 4.43Å; L39-L88 HydrophobicContact CD1-CD1 4.4Å; L39-L88 HydrophobicContact CD1-CD2 4.04Å; L39-L88 HydrophobicContact CD2-CD1 4.28Å; L39-L88 HydrophobicContact CD2-CD2 4.19Å; L39-L88 HydrophobicContact CG-CD2 4.42Å; V41-L88 HydrophobicContact CB-CD2 4.36Å; V41-L88 HydrophobicContact CG1-CD2 4.01Å; V41-L88 HydrophobicContact CG2-CD2 3.38Å; Y77-L88 VanDerWaalsContact CB-CD1 3.42Å; Y77-L88 WeakPolarHBondContact O-CB 3.38Å; Y77-L88 PolarHBondContact O-N 2.99Å
89G91.8Very high78.3Confident39 Ų3979.9 Ų79.940%0.40242%0.424SS..  trans-100.4-116.9176.400000111.2A23 F25A23-G89 WeakPolarHBondContact O-CA 3.33Å; A23-G89 PolarHBondContact O-N 2.99Å; F25-G89 WeakPolarHBondContact CE1-O 3.38Å
90S93.6Very high76.3Confident48 Ų4877 Ų7734%0.33641%0.413SS..SBendtrans-85.2146.4-179.949.90000112.6S24 F25 C92S24-S90 VanDerWaalsContact CA-O 3.25Å; S24-S90 WeakPolarHBondContact CA-O 3.25Å; S24-S90 PolarHBondContact OG-OG 2.76Å; F25-S90 VanDerWaalsContact CD1-O 3.23Å; F25-S90 WeakPolarHBondContact CD1-O 3.48Å; F25-S90 PolarHBondContact N-O 2.86Å; S90-C92 PolarHBondContact O-N 2.85Å
91P95.8Very high74.1Confident64 Ų6478 Ų7842%0.41642%0.421SS..BIsolated β-bridgetrans-57.4135.7165.7-26.636.6000111.1W1 F25 H93W1-P91 HydrophobicContact CB-CB 3.98Å; W1-P91 HydrophobicContact CB-CG 4.4Å; F25-P91 HydrophobicContact CE1-CG 4.19Å; F25-P91 HydrophobicContact CZ-CG 4.16Å; P91-H93 PolarHBondContact O-N 2.8Å
92C93.7Very high72.4Confident5 Ų577 Ų773%0.03441%0.411CS..PPolyproline II helixtrans-55.4137.7175.8-176.40000111.4F3 I14 L15 N20 F25 L26 S90 K94F3-C92 HydrophobicContact CE2-CB 3.86Å; F3-C92 HydrophobicContact CZ-CB 3.81Å; F3-C92 WeakPolarHBondContact CZ-O 3.5Å; I14-C92 VanDerWaalsContact CG2-SG 3.54Å; L15-C92 HydrophobicContact CD2-CB 3.7Å; N20-C92 VanDerWaalsContact OD1-CA 3.3Å; N20-C92 WeakPolarHBondContact OD1-CA 3.4Å; N20-C92 PolarHBondContact OD1-SG 2.85Å; F25-C92 VanDerWaalsContact O-CB 3.26Å; F25-C92 WeakPolarHBondContact O-CB 3.43Å; F25-C92 PolarHBondContact O-N 3.02Å; L26-C92 HydrophobicContact CB-CB 3.96Å; L26-C92 HydrophobicContact CD2-CB 4.24Å; S90-C92 PolarHBondContact O-N 2.85Å; C92-K94 PolarHBondContact O-N 2.97Å
93H88.4Confident70.7Confident97 Ų9778.6 Ų78.645%0.44942%0.42SS..PPolyproline II helixtrans-67.2118.7-180-74-91000110.5P19 N20 P91 K95P19-H93 HydrophobicContact CG-CB 4.4Å; N20-H93 PolarHBondContact OD1-N 3.2Å; P91-H93 PolarHBondContact O-N 2.8Å; H93-K95 PolarHBondContact O-N 3.13Å
94K77.8Confident69.1Low135 Ų13583 Ų8359%0.58744%0.438SS*.PPolyproline II helixtrans-74.6119.6171.8-69.9-174174-166.60109F2 F3 C92F2-K94 WeakPolarHBondContact O-CE 3.44Å; F2-K94 PolarHBondContact O-NZ 3Å; F3-K94 HydrophobicContact CD1-CG 4.46Å; F3-K94 HydrophobicContact CE1-CB 4.49Å; F3-K94 HydrophobicContact CE1-CG 3.81Å; F3-K94 HydrophobicContact CE2-CG 3.97Å; F3-K94 HydrophobicContact CZ-CB 4.41Å; F3-K94 HydrophobicContact CZ-CG 3.53Å; C92-K94 PolarHBondContact O-N 2.97Å
95K66.7Low67.4Low105 Ų10582.5 Ų82.546%0.45743%0.434SS..PPolyproline II helixtrans-55.7140.8159.6-71-178.1-179.9169.40107.5E17 H93E17-K95 VanDerWaalsContact CD-NZ 3.26Å; E17-K95 IonicContact OE1-NZ 3.41Å; E17-K95 PolarHBondContact OE1-NZ 3.03Å; E17-K95 WeakPolarHBondContact OE2-CE 3.3Å; E17-K95 IonicContact OE2-NZ 3.18Å; E17-K95 PolarHBondContact OE2-NZ 3.07Å; H93-K95 PolarHBondContact O-N 3.13Å
96K53.8Low66.2Low194 Ų19480 Ų8084%0.84342%0.421SS*.PPolyproline II helixtrans-53.1138172.7-76.8-178.6177.51790108.1N98K96-N98 PolarHBondContact O-N 2.99Å
97P44.3Very low64.8Low104 Ų10488.3 Ų88.368%0.67547%0.466SS*.PPolyproline II helixtrans-52.9131.8-173.418.4-29.6000110.9
98N47.2Very low64Low124 Ų12489.8 Ų89.866%0.66347%0.469SS*.  trans-89.6111179.7-153.18.2000107.2K96 E100K96-N98 PolarHBondContact O-N 2.99Å; N98-E100 PolarHBondContact O-N 3.35Å
99V51.9Low63.5Low32 Ų3291.3 Ų91.319%0.19447%0.474CS..SBendtrans39.8-14.4160.7-148.60000122D101 I102 I139 F175V99-D101 PolarHBondContact O-N 2.79Å; V99-I102 HydrophobicContact CG1-CB 4.38Å; V99-I102 HydrophobicContact CG1-CD1 3.67Å; V99-I102 HydrophobicContact CG1-CG1 4.01Å; V99-I102 PolarHBondContact O-N 2.86Å; V99-I102 VanDerWaalsContact O-N 3.09Å; V99-I139 HydrophobicContact CG1-CG2 4.44Å; V99-I139 HydrophobicContact CG2-CG2 4.01Å; V99-F175 HydrophobicContact CB-CE1 4.22Å; V99-F175 HydrophobicContact CB-CE2 4.37Å; V99-F175 HydrophobicContact CB-CZ 3.69Å; V99-F175 HydrophobicContact CG1-CD1 4.19Å; V99-F175 HydrophobicContact CG1-CD2 4.24Å; V99-F175 HydrophobicContact CG1-CE1 3.46Å; V99-F175 VanDerWaalsContact CG1-CE1 3.46Å; V99-F175 HydrophobicContact CG1-CE2 3.5Å; V99-F175 HydrophobicContact CG1-CZ 3.07Å; V99-F175 HydrophobicContact CG2-CZ 4.26Å
100E48.7Very low63.4Low117 Ų11792.2 Ų92.255%0.54747%0.471SS..THydrogen-bonded Turntrans-63.5-23179.5-68.2-176.216700112.7N98 I102N98-E100 PolarHBondContact O-N 3.35Å; E100-I102 VanDerWaalsContact C-N 3.29Å; E100-I102 PolarHBondContact O-N 3Å
101D45.3Very low63.2Low107 Ų10790.9 Ų90.957%0.57246%0.46SS*.THydrogen-bonded Turntrans-76.7-8.7176.5-69.3-34.7000114V99 L105V99-D101 PolarHBondContact O-N 2.79Å; D101-L105 WeakPolarHBondContact O-CD1 3.23Å
102I50.6Low62.8Low32 Ų3290.1 Ų90.116%0.16446%0.455CS..SBendtrans-81.6-30.5-178.4-57.8-166.5000112.2V99 E100 H104 L105 L106 W135 I139V99-I102 HydrophobicContact CG1-CB 4.38Å; V99-I102 HydrophobicContact CG1-CD1 3.67Å; V99-I102 HydrophobicContact CG1-CG1 4.01Å; V99-I102 PolarHBondContact O-N 2.86Å; V99-I102 VanDerWaalsContact O-N 3.09Å; E100-I102 VanDerWaalsContact C-N 3.29Å; E100-I102 PolarHBondContact O-N 3Å; I102-H104 PolarHBondContact O-N 3.37Å; I102-L105 PolarHBondContact O-N 3.01Å; I102-L106 HydrophobicContact CG2-CD1 4.06Å; I102-W135 HydrophobicContact CD1-CE3 4.31Å; I102-W135 HydrophobicContact CD1-CH2 4.13Å; I102-W135 HydrophobicContact CD1-CZ3 3.51Å; I102-W135 HydrophobicContact CG2-CH2 3.65Å; I102-W135 HydrophobicContact CG2-CZ3 3.74Å; I102-I139 HydrophobicContact CD1-CD1 3.59Å
103N48.8Very low62.8Low35 Ų3591.2 Ų91.219%0.18746%0.459CS..THydrogen-bonded Turntrans-63.5-16.7-174-69.7-15000113.3L174N103-L174 PolarHBondContact OD1-O 3.2Å
104H44.3Very low63Low169 Ų16991.8 Ų91.878%0.78248%0.475SS*.THydrogen-bonded Turntrans-99.9-2.4177.6-65.1-54.3000114.6I102I102-H104 PolarHBondContact O-N 3.37Å
105L39.5Very low63.5Low140 Ų14087.6 Ų87.673%0.73346%0.457SS*.THydrogen-bonded Turntrans-107.9-5.7-172.6-73.2169.2000114.6D101 I102D101-L105 WeakPolarHBondContact O-CD1 3.23Å; I102-L105 PolarHBondContact O-N 3.01Å
106L48.2Very low64.8Low50 Ų5083.3 Ų83.326%0.26244%0.438SS..  trans-121.790.7-178.2-69.7172.7000110I102 D108 L111 W135I102-L106 HydrophobicContact CG2-CD1 4.06Å; L106-D108 PolarHBondContact O-N 2.84Å; L106-L111 HydrophobicContact CD1-CD1 4.13Å; L106-L111 HydrophobicContact CD2-CD2 4.46Å; L106-W135 HydrophobicContact CD1-CH2 3.8Å; L106-W135 HydrophobicContact CD1-CZ2 4.2Å
107D50.8Low66.8Low180 Ų18077.1 Ų77.196%0.96342%0.417SS*.SBendtrans-61.1-14161.3-83.2-29000111.5
108D69.8Low69.3Low95 Ų9575.4 Ų75.451%0.50840%0.401SS..  trans-111.9105.1174.4-158.9-10000112L106 V110L106-D108 PolarHBondContact O-N 2.84Å; D108-V110 PolarHBondContact O-N 2.88Å; D108-V110 WeakPolarHBondContact OD1-CB 3.39Å; D108-V110 PolarHBondContact OD1-N 2.8Å
109W83.7Confident71.6Confident46 Ų4672.1 Ų72.117%0.17438%0.382CS..  trans-71.4-16.9173.7-6791.7000112.7K164 L174 A176 I177W109-K164 HydrophobicContact CD2-CD 4.31Å; W109-K164 HydrophobicContact CD2-CG 3.92Å; W109-K164 HydrophobicContact CE3-CG 4.47Å; W109-K164 HydrophobicContact CG-CD 4.01Å; W109-K164 HydrophobicContact CG-CG 4.15Å; W109-K164 HydrophobicContact CZ2-CB 4.48Å; W109-K164 HydrophobicContact CZ2-CG 4.3Å; W109-L174 HydrophobicContact CD2-CD2 4.18Å; W109-L174 HydrophobicContact CE3-CD2 3.52Å; W109-L174 HydrophobicContact CE3-CG 3.82Å; W109-L174 HydrophobicContact CH2-CD2 4.43Å; W109-L174 HydrophobicContact CZ3-CB 3.92Å; W109-L174 HydrophobicContact CZ3-CD2 3.68Å; W109-L174 HydrophobicContact CZ3-CG 3.71Å; W109-L174 WeakPolarHBondContact CZ3-O 3.45Å; W109-A176 CarbonylContact O-C 3.58Å; W109-A176 WeakPolarHBondContact O-CA 3.32Å; W109-I177 HydrophobicContact CB-CG1 4.41Å; W109-I177 WeakPolarHBondContact O-CG1 3.38Å; W109-I177 PolarHBondContact O-N 3.24Å
110V89Confident73.7Confident58 Ų5876.1 Ų76.135%0.35240%0.402SS..BIsolated β-bridgetrans-91110.6-174.7-174.50000109.3D108 I177D108-V110 PolarHBondContact O-N 2.88Å; D108-V110 WeakPolarHBondContact OD1-CB 3.39Å; D108-V110 PolarHBondContact OD1-N 2.8Å; V110-I177 WeakPolarHBondContact CA-O 3.32Å; V110-I177 HydrophobicContact CG2-CD1 3.98Å; V110-I177 HydrophobicContact CG2-CG1 3.94Å
111L88Confident75.9Confident19 Ų1975 Ų7510%0.09940%0.397CS..  trans-116.3146.6177.7-62.6-175.2000111.2L106 F116 W135 A176 I177 C178L106-L111 HydrophobicContact CD1-CD1 4.13Å; L106-L111 HydrophobicContact CD2-CD2 4.46Å; L111-F116 HydrophobicContact CB-CE2 3.87Å; L111-F116 HydrophobicContact CB-CZ 4.21Å; L111-F116 HydrophobicContact CD1-CZ 4.08Å; L111-W135 HydrophobicContact CD1-CH2 4.26Å; L111-W135 HydrophobicContact CD1-CZ2 3.48Å; L111-W135 VanDerWaalsContact CD1-CZ2 3.48Å; L111-A176 HydrophobicContact CB-CB 4.13Å; L111-A176 HydrophobicContact CD1-CB 3.69Å; L111-A176 HydrophobicContact CG-CB 3.91Å; L111-I177 PolarHBondContact N-O 3.12Å; L111-C178 PolarHBondContact O-SG 3.34Å
112P88.3Confident78.2Confident48 Ų4874.2 Ų74.231%0.31239%0.392SS..  trans-69.8145.5-178.528.5-33.3000111S114 E115P112-S114 PolarHBondContact O-N 3.37Å; P112-S114 VanDerWaalsContact O-N 3.12Å; P112-E115 HydrophobicContact CG-CG 4.05Å; P112-E115 PolarHBondContact O-N 3.31Å; P112-E115 VanDerWaalsContact O-N 3.08Å
113K93.3Very high80Confident28 Ų2874 Ų7412%0.12240%0.398CS..G310 helixtrans-61.1-27.1-177.4-69.2176172.7173.40112.7E115 F116 C178 E180 S181 S182 P183 Y185K113-E115 PolarHBondContact O-N 3.02Å; K113-E115 VanDerWaalsContact O-N 3.14Å; K113-F116 PolarHBondContact O-N 2.96Å; K113-F116 VanDerWaalsContact O-O 3.13Å; K113-C178 HydrophobicContact CG-CB 3.65Å; K113-E180 WeakPolarHBondContact CB-OE1 3.42Å; K113-E180 HydrophobicContact CG-CG 4.49Å; K113-E180 VanDerWaalsContact CG-OE1 3.25Å; K113-E180 WeakPolarHBondContact CG-OE1 3.41Å; K113-E180 PolarHBondContact N-OE1 3.06Å; K113-S181 VanDerWaalsContact CE-O 3.31Å; K113-S181 WeakPolarHBondContact CE-O 3.37Å; K113-S181 PolarHBondContact NZ-O 2.95Å; K113-S181 PolarHBondContact NZ-OG 3.28Å; K113-S182 PolarHBondContact NZ-O 3.34Å; K113-P183 WeakPolarHBondContact CE-O 3.22Å; K113-P183 PolarHBondContact NZ-O 2.88Å; K113-Y185 HydrophobicContact CB-CE2 4.16Å; K113-Y185 HydrophobicContact CD-CD2 4.38Å; K113-Y185 HydrophobicContact CD-CE2 3.79Å; K113-Y185 HydrophobicContact CG-CD2 3.92Å; K113-Y185 HydrophobicContact CG-CE2 3.65Å
114S92.4Very high81.8Confident110 Ų11077.5 Ų77.577%0.76942%0.417SS*.G310 helixtrans-61-18.317857.50000113.9P112 F116P112-S114 PolarHBondContact O-N 3.37Å; P112-S114 VanDerWaalsContact O-N 3.12Å; S114-F116 VanDerWaalsContact C-N 3.28Å
115E89.4Confident83.4Confident47 Ų4771 Ų7122%0.2240%0.396CS..G310 helixtrans-77.9-11.9172.7-72.4-166.6177.100113.4P112 K113 W135 K136P112-E115 HydrophobicContact CG-CG 4.05Å; P112-E115 PolarHBondContact O-N 3.31Å; P112-E115 VanDerWaalsContact O-N 3.08Å; K113-E115 PolarHBondContact O-N 3.02Å; K113-E115 VanDerWaalsContact O-N 3.14Å; E115-W135 PolarHBondContact OE2-NE1 2.65Å; E115-K136 HydrophobicContact CB-CG 4.5Å; E115-K136 PolarHBondContact O-N 3.49Å; E115-K136 VanDerWaalsContact OE1-CE 3.24Å; E115-K136 WeakPolarHBondContact OE1-CE 3.21Å; E115-K136 IonicContact OE1-NZ 3.58Å; E115-K136 PolarHBondContact OE1-NZ 2.74Å; E115-K136 WeakPolarHBondContact OE2-CE 3.35Å; E115-K136 IonicContact OE2-NZ 3.55Å
116F93.3Very high85Confident14 Ų1469.1 Ų69.16%0.06139%0.393CS..EExtended strand (participates in β ladder)trans-117.7129.1-174.7-57.5-80.9000112L111 K113 S114 R134 W135 V141 I143 A176 I187L111-F116 HydrophobicContact CB-CE2 3.87Å; L111-F116 HydrophobicContact CB-CZ 4.21Å; L111-F116 HydrophobicContact CD1-CZ 4.08Å; K113-F116 PolarHBondContact O-N 2.96Å; K113-F116 VanDerWaalsContact O-O 3.13Å; S114-F116 VanDerWaalsContact C-N 3.28Å; F116-R134 WeakPolarHBondContact CA-O 3.48Å; F116-W135 HydrophobicContact CD1-CB 3.78Å; F116-W135 AromaticContact CD1-CD1 3.93Å; F116-W135 HydrophobicContact CD1-CG 4.01Å; F116-W135 HydrophobicContact CE1-CB 3.57Å; F116-W135 AromaticContact CE1-CD1 3.41Å; F116-W135 VanDerWaalsContact CE1-CD1 3.41Å; F116-W135 HydrophobicContact CE1-CD2 4.04Å; F116-W135 AromaticContact CE1-CG 3.42Å; F116-W135 HydrophobicContact CE1-CG 3.42Å; F116-W135 VanDerWaalsContact CE1-CG 3.42Å; F116-W135 AromaticContact CZ-CD1 3.72Å; F116-W135 HydrophobicContact CZ-CD2 4.42Å; F116-W135 HydrophobicContact CZ-CG 4.07Å; F116-W135 AromaticContact CZ-NE1 3.95Å; F116-V141 HydrophobicContact CD1-CG2 4.29Å; F116-I143 HydrophobicContact CB-CD1 4Å; F116-A176 HydrophobicContact CZ-CB 3.89Å; F116-I187 HydrophobicContact CD1-CD1 4.09Å; F116-I187 HydrophobicContact CD1-CG1 4.26Å; F116-I187 HydrophobicContact CD1-CG2 4.14Å; F116-I187 HydrophobicContact CD2-CD1 4.4Å; F116-I187 HydrophobicContact CE1-CB 4.27Å; F116-I187 HydrophobicContact CE1-CD1 4.24Å; F116-I187 HydrophobicContact CE1-CG1 3.89Å; F116-I187 HydrophobicContact CE1-CG2 3.64Å; F116-I187 HydrophobicContact CE2-CG1 4.16Å; F116-I187 HydrophobicContact CG-CD1 4.17Å; F116-I187 HydrophobicContact CZ-CB 4.46Å; F116-I187 HydrophobicContact CZ-CD1 4.45Å; F116-I187 HydrophobicContact CZ-CG1 3.83Å; F116-I187 HydrophobicContact CZ-CG2 4.28Å
117T95.5Very high86.3Confident65 Ų6570.3 Ų70.340%0.39940%0.396SS..EExtended strand (participates in β ladder)trans-101.7122.3171-61.40000109.4G133 R134 N137T117-G133 CarbonylContact O-C 3.6Å; T117-G133 WeakPolarHBondContact O-CA 3.47Å; T117-R134 PolarHBondContact N-O 2.82Å; T117-R134 PolarHBondContact O-N 3.38Å; T117-N137 PolarHBondContact OG1-OD1 2.98Å
118I96.6Very high87.9Confident68 Ų6862.6 Ų62.635%0.34936%0.356SS..EExtended strand (participates in β ladder)trans-80.6132.2173-65.5172.9000109F131 I143 V145 Y185I118-F131 HydrophobicContact CG2-CB 3.78Å; I118-F131 HydrophobicContact CG2-CD1 3.62Å; I118-F131 HydrophobicContact CG2-CD2 4.34Å; I118-F131 HydrophobicContact CG2-CE1 4.28Å; I118-F131 HydrophobicContact CG2-CG 3.67Å; I118-I143 HydrophobicContact CG1-CD1 3.88Å; I118-I143 HydrophobicContact CG1-CG2 4.44Å; I118-V145 HydrophobicContact CD1-CG2 4.27Å; I118-Y185 HydrophobicContact CD1-CE2 4.2Å
119E96.4Very high89Confident54 Ų5460.8 Ų60.825%0.25235%0.345SS..EExtended strand (participates in β ladder)trans-115.8-125.3177.7-57.8-175.314200110.2R132 R134E119-R132 WeakPolarHBondContact CA-O 3.34Å; E119-R132 HydrophobicContact CB-CB 4.44Å; E119-R132 WeakPolarHBondContact CB-O 3.45Å; E119-R132 PolarHBondContact N-O 3.03Å; E119-R132 WeakPolarHBondContact OE2-CD 3.45Å; E119-R132 IonicContact OE2-NE 3.17Å; E119-R134 IonicContact OE1-CZ 3.64Å; E119-R134 IonicContact OE1-NE 3.66Å; E119-R134 PolarHBondContact OE1-NE 3.29Å; E119-R134 IonicContact OE1-NH2 2.63Å; E119-R134 PolarHBondContact OE1-NH2 3.36Å
120N95.2Very high89.5Confident116 Ų11660.6 Ų60.662%0.6235%0.349SS*.EExtended strand (participates in β ladder)trans-76.6143.5-174.7-57.7-55.1000111.8L122 F131 R132N120-L122 PolarHBondContact O-N 3.07Å; N120-F131 CarbonylContact O-C 3.44Å; N120-F131 WeakPolarHBondContact O-CA 3.4Å; N120-R132 PolarHBondContact O-N 3.24Å
121Q96.3Very high89.9Confident93 Ų9359.4 Ų59.444%0.43534%0.338SS..EExtended strand (participates in β ladder)trans-71.1129172.6-168.4176.3-7.600110.6G123 F131Q121-G123 PolarHBondContact NE2-O 3.08Å; Q121-F131 HydrophobicContact CB-CD1 3.82Å; Q121-F131 HydrophobicContact CB-CE1 3.76Å; Q121-F131 HydrophobicContact CG-CD1 4.15Å; Q121-F131 HydrophobicContact CG-CE1 3.92Å; Q121-F131 HydrophobicContact CG-CZ 4.36Å
122L93.1Very high90.3Very high91 Ų9161.1 Ų61.148%0.47634%0.344SS..EExtended strand (participates in β ladder)trans-97.4-34.5177.3-61.6174.8000111.9N120 V130 R132 L190N120-L122 PolarHBondContact O-N 3.07Å; L122-V130 WeakPolarHBondContact CA-O 3.31Å; L122-V130 HydrophobicContact CB-CG1 4.33Å; L122-V130 HydrophobicContact CD1-CG1 4.36Å; L122-V130 PolarHBondContact N-O 2.89Å; L122-R132 HydrophobicContact CD1-CB 4.07Å; L122-R132 HydrophobicContact CD2-CB 4.13Å; L122-R132 HydrophobicContact CG-CB 4.09Å; L122-L190 HydrophobicContact CD1-CD1 3.6Å
123G88.4Confident90.7Very high27 Ų2758.9 Ų58.928%0.27833%0.329SS..EExtended strand (participates in β ladder)trans-154.2156.9-174.200000113.5Q121 V130Q121-G123 PolarHBondContact NE2-O 3.08Å; G123-V130 PolarHBondContact N-O 2.82Å; G123-V130 PolarHBondContact O-N 2.62Å
124N87.2Confident90.6Very high110 Ų11062.5 Ų62.559%0.58834%0.342SS*.EExtended strand (participates in β ladder)trans-135.298177.8-166.423.9000109.6K147N124-K147 VanDerWaalsContact OD1-CE 3.29Å; N124-K147 WeakPolarHBondContact OD1-CE 3.21Å; N124-K147 PolarHBondContact OD1-NZ 2.7Å
125G77.5Confident90.3Very high33 Ų3358 Ų5834%0.3431%0.308SS..  trans-88.7179.3176.400000112.4S128 K147G125-S128 CarbonylContact C-O 3.6Å; G125-S128 WeakPolarHBondContact CA-O 3.25Å; G125-S128 PolarHBondContact N-O 3.41Å; G125-K147 WeakPolarHBondContact O-CE 3.47Å; G125-K147 PolarHBondContact O-NZ 2.97Å
126C73.3Confident89.9Confident99 Ų9961 Ų6167%0.66932%0.32SS*.SBendtrans-67.6-38.6176.8-169.10000111.8
127F74.3Confident89.1Confident76 Ų7665 Ų6533%0.33334%0.342SS..SBendtrans-115.3-6.4-173.1-53.7-72.7000114.1K147F127-K147 PolarHBondContact O-N 3.17Å
128S85.6Confident88.2Confident17 Ų1769.7 Ų69.712%0.11936%0.359CS..EExtended strand (participates in β ladder)trans-146.1158.7-17660.60000111.8G125 K144 V145 K147G125-S128 CarbonylContact C-O 3.6Å; G125-S128 WeakPolarHBondContact CA-O 3.25Å; G125-S128 PolarHBondContact N-O 3.41Å; S128-K144 WeakPolarHBondContact OG-CE 3.29Å; S128-V145 CarbonylContact C-O 3.46Å; S128-V145 WeakPolarHBondContact CA-O 3.41Å; S128-K147 WeakPolarHBondContact O-CE 3.36Å
129Q91.7Very high87.4Confident58 Ų5868.6 Ų68.627%0.27135%0.354SS..EExtended strand (participates in β ladder)trans-118.3139.8164.9-64.2178.6-95.300107.5F131 K144 V145 K147Q129-F131 HydrophobicContact CB-CD2 4.18Å; Q129-F131 HydrophobicContact CB-CE2 3.39Å; Q129-F131 HydrophobicContact CB-CZ 3.87Å; Q129-F131 HydrophobicContact CG-CE2 4.47Å; Q129-K144 CarbonylContact O-C 3.53Å; Q129-K144 WeakPolarHBondContact O-CA 3.44Å; Q129-V145 PolarHBondContact N-O 3.4Å; Q129-V145 PolarHBondContact O-N 3.18Å; Q129-K147 HydrophobicContact CG-CD 4.43Å; Q129-K147 HydrophobicContact CG-CG 4.3Å
130V94.6Very high87Confident42 Ų4269.2 Ų69.226%0.25536%0.359SS..EExtended strand (participates in β ladder)trans-109.6129.1176.5-1750000107.6L122 G123 A142 I143 K144L122-V130 WeakPolarHBondContact CA-O 3.31Å; L122-V130 HydrophobicContact CB-CG1 4.33Å; L122-V130 HydrophobicContact CD1-CG1 4.36Å; L122-V130 PolarHBondContact N-O 2.89Å; G123-V130 PolarHBondContact N-O 2.82Å; G123-V130 PolarHBondContact O-N 2.62Å; V130-A142 HydrophobicContact CG1-CB 4.35Å; V130-I143 WeakPolarHBondContact CA-O 3.48Å; V130-K144 HydrophobicContact CG2-CB 4.4Å; V130-K144 HydrophobicContact CG2-CG 4.19Å
131F97.1Very high87Confident32 Ų3263.7 Ų63.714%0.1433%0.33CS..EExtended strand (participates in β ladder)trans-119.9149.6178.2-61.4-96.2000110.2I118 N120 Q121 Q129 A142 I143 V145I118-F131 HydrophobicContact CG2-CB 3.78Å; I118-F131 HydrophobicContact CG2-CD1 3.62Å; I118-F131 HydrophobicContact CG2-CD2 4.34Å; I118-F131 HydrophobicContact CG2-CE1 4.28Å; I118-F131 HydrophobicContact CG2-CG 3.67Å; N120-F131 CarbonylContact O-C 3.44Å; N120-F131 WeakPolarHBondContact O-CA 3.4Å; Q121-F131 HydrophobicContact CB-CD1 3.82Å; Q121-F131 HydrophobicContact CB-CE1 3.76Å; Q121-F131 HydrophobicContact CG-CD1 4.15Å; Q121-F131 HydrophobicContact CG-CE1 3.92Å; Q121-F131 HydrophobicContact CG-CZ 4.36Å; Q129-F131 HydrophobicContact CB-CD2 4.18Å; Q129-F131 HydrophobicContact CB-CE2 3.39Å; Q129-F131 HydrophobicContact CB-CZ 3.87Å; Q129-F131 HydrophobicContact CG-CE2 4.47Å; F131-A142 CarbonylContact O-C 3.57Å; F131-A142 WeakPolarHBondContact O-CA 3.23Å; F131-I143 PolarHBondContact N-O 2.77Å; F131-I143 PolarHBondContact O-N 2.94Å; F131-V145 HydrophobicContact CD2-CB 4.3Å; F131-V145 HydrophobicContact CD2-CG2 3.64Å; F131-V145 HydrophobicContact CE2-CB 4.03Å; F131-V145 HydrophobicContact CE2-CG2 3.73Å
132R97.4Very high87Confident56 Ų5659.8 Ų59.821%0.21131%0.313CS..EExtended strand (participates in β ladder)trans-68.4143.1157.6-171.9-178.3-173.4101.811.4107E119 N120 L122 N140 L190 E192E119-R132 WeakPolarHBondContact CA-O 3.34Å; E119-R132 HydrophobicContact CB-CB 4.44Å; E119-R132 WeakPolarHBondContact CB-O 3.45Å; E119-R132 PolarHBondContact N-O 3.03Å; E119-R132 WeakPolarHBondContact OE2-CD 3.45Å; E119-R132 IonicContact OE2-NE 3.17Å; N120-R132 PolarHBondContact O-N 3.24Å; L122-R132 HydrophobicContact CD1-CB 4.07Å; L122-R132 HydrophobicContact CD2-CB 4.13Å; L122-R132 HydrophobicContact CG-CB 4.09Å; R132-N140 PolarHBondContact NH2-ND2 3.46Å; R132-L190 HydrophobicContact CG-CD2 3.88Å; R132-L190 VanDerWaalsContact CZ-CD2 3.46Å; R132-E192 IonicContact CZ-OE1 2.69Å; R132-E192 IonicContact CZ-OE2 2.78Å; R132-E192 IonicContact NH1-OE1 2.82Å; R132-E192 IonicContact NH1-OE2 2.88Å; R132-E192 PolarHBondContact NH1-OE2 3.32Å; R132-E192 IonicContact NH2-OE1 3.99Å; R132-E192 PolarHBondContact NH2-OE1 3.15Å; R132-E192 IonicContact NH2-OE2 3.87Å; R132-E192 PolarHBondContact NH2-OE2 3.34Å
133G96.1Very high87.2Confident0 Ų055.4 Ų55.40%029%0.29CS..EExtended strand (participates in β ladder)trans-151.5-180171.400000112.7T117 V141T117-G133 CarbonylContact O-C 3.6Å; T117-G133 WeakPolarHBondContact O-CA 3.47Å; G133-V141 PolarHBondContact N-O 2.76Å; G133-V141 PolarHBondContact O-N 3.5Å
134R91.1Very high87.4Confident104 Ų10455.3 Ų55.339%0.39228%0.282SS..EExtended strand (participates in β ladder)trans-125.5134.2171.8-59.8-171.3-142.7173.89.6111.3F116 T117 E119 I139F116-R134 WeakPolarHBondContact CA-O 3.48Å; T117-R134 PolarHBondContact N-O 2.82Å; T117-R134 PolarHBondContact O-N 3.38Å; E119-R134 IonicContact OE1-CZ 3.64Å; E119-R134 IonicContact OE1-NE 3.66Å; E119-R134 PolarHBondContact OE1-NE 3.29Å; E119-R134 IonicContact OE1-NH2 2.63Å; E119-R134 PolarHBondContact OE1-NH2 3.36Å; R134-I139 CarbonylContact C-O 3.58Å; R134-I139 VanDerWaalsContact CA-O 3.24Å; R134-I139 WeakPolarHBondContact CA-O 3.05Å
135W87.1Confident87.6Confident15 Ų1550.7 Ų50.76%0.05726%0.258CS..EExtended strand (participates in β ladder)trans-91.1125.5167.2-178.226.8000110.2I102 L106 L111 E115 F116 N137 H138 I139 V141I102-W135 HydrophobicContact CD1-CE3 4.31Å; I102-W135 HydrophobicContact CD1-CH2 4.13Å; I102-W135 HydrophobicContact CD1-CZ3 3.51Å; I102-W135 HydrophobicContact CG2-CH2 3.65Å; I102-W135 HydrophobicContact CG2-CZ3 3.74Å; L106-W135 HydrophobicContact CD1-CH2 3.8Å; L106-W135 HydrophobicContact CD1-CZ2 4.2Å; L111-W135 HydrophobicContact CD1-CH2 4.26Å; L111-W135 HydrophobicContact CD1-CZ2 3.48Å; L111-W135 VanDerWaalsContact CD1-CZ2 3.48Å; E115-W135 PolarHBondContact OE2-NE1 2.65Å; F116-W135 HydrophobicContact CD1-CB 3.78Å; F116-W135 AromaticContact CD1-CD1 3.93Å; F116-W135 HydrophobicContact CD1-CG 4.01Å; F116-W135 HydrophobicContact CE1-CB 3.57Å; F116-W135 AromaticContact CE1-CD1 3.41Å; F116-W135 VanDerWaalsContact CE1-CD1 3.41Å; F116-W135 HydrophobicContact CE1-CD2 4.04Å; F116-W135 AromaticContact CE1-CG 3.42Å; F116-W135 HydrophobicContact CE1-CG 3.42Å; F116-W135 VanDerWaalsContact CE1-CG 3.42Å; F116-W135 AromaticContact CZ-CD1 3.72Å; F116-W135 HydrophobicContact CZ-CD2 4.42Å; F116-W135 HydrophobicContact CZ-CG 4.07Å; F116-W135 AromaticContact CZ-NE1 3.95Å; W135-N137 PolarHBondContact O-N 3.29Å; W135-H138 PolarHBondContact O-N 3.2Å; W135-I139 HydrophobicContact CB-CB 4.33Å; W135-I139 HydrophobicContact CE3-CD1 3.91Å; W135-I139 HydrophobicContact CZ3-CD1 4.3Å; W135-I139 PolarHBondContact N-O 3.28Å; W135-I139 PolarHBondContact O-N 2.83Å; W135-I139 VanDerWaalsContact O-N 3.15Å; W135-V141 HydrophobicContact CB-CG1 4.01Å
136K80.6Confident88.1Confident111 Ų11149.9 Ų49.948%0.48325%0.246SC..THydrogen-bonded Turntrans48.629.8-174.6-65.5178.1-177.3176.50113E115 H138E115-K136 HydrophobicContact CB-CG 4.5Å; E115-K136 PolarHBondContact O-N 3.49Å; E115-K136 VanDerWaalsContact OE1-CE 3.24Å; E115-K136 WeakPolarHBondContact OE1-CE 3.21Å; E115-K136 IonicContact OE1-NZ 3.58Å; E115-K136 PolarHBondContact OE1-NZ 2.74Å; E115-K136 WeakPolarHBondContact OE2-CE 3.35Å; E115-K136 IonicContact OE2-NZ 3.55Å; K136-H138 PolarHBondContact O-CD2 3.41Å; K136-H138 PolarHBondContact O-N 3.1Å; K136-H138 VanDerWaalsContact O-N 3.11Å; K136-H138 PolarHBondContact O-NE2 2.73Å
137N76.1Confident88.3Confident98 Ų9849 Ų4952%0.52423%0.23SC..THydrogen-bonded Turntrans59.910.1-175.1-60.6-37.3000116.4T117 W135T117-N137 PolarHBondContact OG1-OD1 2.98Å; W135-N137 PolarHBondContact O-N 3.29Å
138H76.1Confident88Confident163 Ų16350 Ų5076%0.75524%0.239SC*.THydrogen-bonded Turntrans-116.9-33.7-173.5-63.7-52.6000113.8W135 K136W135-H138 PolarHBondContact O-N 3.2Å; K136-H138 PolarHBondContact O-CD2 3.41Å; K136-H138 PolarHBondContact O-N 3.1Å; K136-H138 VanDerWaalsContact O-N 3.11Å; K136-H138 PolarHBondContact O-NE2 2.73Å
139I80.8Confident86.6Confident45 Ų4555.2 Ų55.223%0.23127%0.266CS..EExtended strand (participates in β ladder)trans-113.8124.5-172.4-56.3173.2000108.8V99 I102 R134 W135 V141V99-I139 HydrophobicContact CG1-CG2 4.44Å; V99-I139 HydrophobicContact CG2-CG2 4.01Å; I102-I139 HydrophobicContact CD1-CD1 3.59Å; R134-I139 CarbonylContact C-O 3.58Å; R134-I139 VanDerWaalsContact CA-O 3.24Å; R134-I139 WeakPolarHBondContact CA-O 3.05Å; W135-I139 HydrophobicContact CB-CB 4.33Å; W135-I139 HydrophobicContact CE3-CD1 3.91Å; W135-I139 HydrophobicContact CZ3-CD1 4.3Å; W135-I139 PolarHBondContact N-O 3.28Å; W135-I139 PolarHBondContact O-N 2.83Å; W135-I139 VanDerWaalsContact O-N 3.15Å; I139-V141 HydrophobicContact CG2-CG1 4.27Å
140N88.3Confident84.6Confident68 Ų6855.3 Ų55.336%0.36427%0.273SS..EExtended strand (participates in β ladder)trans-69.2132.4173.2-70.5-28.6000110R132 L190 E192R132-N140 PolarHBondContact NH2-ND2 3.46Å; N140-L190 HydrophobicContact CB-CB 4.3Å; N140-L190 HydrophobicContact CB-CD2 3.78Å; N140-E192 PolarHBondContact ND2-OE1 3.42Å
141V94.2Very high82.3Confident0 Ų060.9 Ų60.90%031%0.307CS..EExtended strand (participates in β ladder)trans-136.7157.9-179.1-63.30000111F116 G133 W135 I139 I143 F175 I187F116-V141 HydrophobicContact CD1-CG2 4.29Å; G133-V141 PolarHBondContact N-O 2.76Å; G133-V141 PolarHBondContact O-N 3.5Å; W135-V141 HydrophobicContact CB-CG1 4.01Å; I139-V141 HydrophobicContact CG2-CG1 4.27Å; V141-I143 HydrophobicContact CG2-CD1 4.2Å; V141-I143 HydrophobicContact CG2-CG1 3.88Å; V141-F175 HydrophobicContact CG1-CD2 3.86Å; V141-F175 HydrophobicContact CG1-CE2 4.18Å; V141-I187 HydrophobicContact CB-CG2 3.75Å; V141-I187 HydrophobicContact CG1-CG2 3.92Å; V141-I187 HydrophobicContact CG2-CG2 4.01Å
142A96.8Very high80.4Confident10 Ų1064.5 Ų64.58%0.08333%0.328CS..EExtended strand (participates in β ladder)trans-97.4130163.300000109.2V130 F131 I187 T188 L190V130-A142 HydrophobicContact CG1-CB 4.35Å; F131-A142 CarbonylContact O-C 3.57Å; F131-A142 WeakPolarHBondContact O-CA 3.23Å; A142-I187 WeakPolarHBondContact O-CA 3.38Å; A142-T188 PolarHBondContact N-O 2.9Å; A142-T188 PolarHBondContact O-N 2.71Å; A142-L190 HydrophobicContact CB-CD1 4.13Å
143I96.3Very high79Confident0 Ų063.2 Ų63.20%033%0.325CS..EExtended strand (participates in β ladder)trans-112.8103.9-178.6-53.1-176.7000107.8F116 I118 V130 F131 V141 V145 Y185 I187F116-I143 HydrophobicContact CB-CD1 4Å; I118-I143 HydrophobicContact CG1-CD1 3.88Å; I118-I143 HydrophobicContact CG1-CG2 4.44Å; V130-I143 WeakPolarHBondContact CA-O 3.48Å; F131-I143 PolarHBondContact N-O 2.77Å; F131-I143 PolarHBondContact O-N 2.94Å; V141-I143 HydrophobicContact CG2-CD1 4.2Å; V141-I143 HydrophobicContact CG2-CG1 3.88Å; I143-V145 HydrophobicContact CG2-CG2 3.89Å; I143-V145 PolarHBondContact O-N 3.09Å; I143-Y185 HydrophobicContact CG2-CD1 4.35Å; I143-Y185 HydrophobicContact CG2-CD2 3.95Å; I143-Y185 HydrophobicContact CG2-CE2 4.49Å; I143-Y185 HydrophobicContact CG2-CG 3.9Å; I143-I187 HydrophobicContact CB-CD1 4.2Å; I143-I187 HydrophobicContact CD1-CD1 4.41Å; I143-I187 HydrophobicContact CG1-CD1 3.86Å; I143-I187 HydrophobicContact CG2-CD1 3.82Å
144K93.8Very high77.9Confident24 Ų2465.3 Ų65.310%0.10434%0.338CS..EExtended strand (participates in β ladder)trans-85.3106.8172-171.7179.3-168.8-177.30108.3S128 Q129 V130 E159 Y185 I186 D254S128-K144 WeakPolarHBondContact OG-CE 3.29Å; Q129-K144 CarbonylContact O-C 3.53Å; Q129-K144 WeakPolarHBondContact O-CA 3.44Å; V130-K144 HydrophobicContact CG2-CB 4.4Å; V130-K144 HydrophobicContact CG2-CG 4.19Å; K144-E159 IonicContact NZ-OE1 3.55Å; K144-E159 PolarHBondContact NZ-OE1 2.82Å; K144-E159 IonicContact NZ-OE2 2.76Å; K144-E159 PolarHBondContact NZ-OE2 2.99Å; K144-Y185 WeakPolarHBondContact O-CA 3.46Å; K144-I186 HydrophobicContact CB-CB 4.24Å; K144-I186 HydrophobicContact CD-CD1 4.48Å; K144-I186 PolarHBondContact N-O 3.46Å; K144-I186 PolarHBondContact O-N 2.69Å; K144-D254 IonicContact NZ-OD1 2.64Å; K144-D254 PolarHBondContact NZ-OD1 3.01Å
145V92.1Very high77.1Confident14 Ų1463.2 Ų63.29%0.08533%0.332CS..EExtended strand (participates in β ladder)trans-94122.1178-178.70000109.1I118 S128 Q129 F131 I143 P183 Y185I118-V145 HydrophobicContact CD1-CG2 4.27Å; S128-V145 CarbonylContact C-O 3.46Å; S128-V145 WeakPolarHBondContact CA-O 3.41Å; Q129-V145 PolarHBondContact N-O 3.4Å; Q129-V145 PolarHBondContact O-N 3.18Å; F131-V145 HydrophobicContact CD2-CB 4.3Å; F131-V145 HydrophobicContact CD2-CG2 3.64Å; F131-V145 HydrophobicContact CE2-CB 4.03Å; F131-V145 HydrophobicContact CE2-CG2 3.73Å; I143-V145 HydrophobicContact CG2-CG2 3.89Å; I143-V145 PolarHBondContact O-N 3.09Å; V145-P183 HydrophobicContact CG1-CB 3.75Å; V145-P183 HydrophobicContact CG1-CG 3.82Å; V145-Y185 HydrophobicContact CB-CD1 4.21Å; V145-Y185 HydrophobicContact CB-CE1 4.2Å; V145-Y185 HydrophobicContact CG1-CD1 4.14Å; V145-Y185 HydrophobicContact CG1-CE1 3.78Å; V145-Y185 HydrophobicContact CG2-CD1 3.76Å; V145-Y185 HydrophobicContact CG2-CE1 3.67Å
146L86.2Confident76.9Confident16 Ų1662.7 Ų62.78%0.08433%0.331CS..EExtended strand (participates in β ladder)trans-80.3137.8177.5-68.2172.2000111.8F156 P183 Y184L146-F156 HydrophobicContact CD1-CB 3.5Å; L146-F156 HydrophobicContact CD1-CD2 3.34Å; L146-F156 HydrophobicContact CD1-CE2 4.28Å; L146-F156 HydrophobicContact CD1-CG 3.66Å; L146-P183 VanDerWaalsContact O-CB 3.23Å; L146-P183 WeakPolarHBondContact O-CB 2.94Å; L146-Y184 PolarHBondContact N-O 3.23Å; L146-Y184 VanDerWaalsContact N-O 3.13Å
147K78.1Confident76.9Confident80 Ų8062.8 Ų62.835%0.34833%0.332SS..  trans-81.3-14.3-171.9-69.9179.4173.7-177.70115.1N124 G125 F127 S128 Q129N124-K147 VanDerWaalsContact OD1-CE 3.29Å; N124-K147 WeakPolarHBondContact OD1-CE 3.21Å; N124-K147 PolarHBondContact OD1-NZ 2.7Å; G125-K147 WeakPolarHBondContact O-CE 3.47Å; G125-K147 PolarHBondContact O-NZ 2.97Å; F127-K147 PolarHBondContact O-N 3.17Å; S128-K147 WeakPolarHBondContact O-CE 3.36Å; Q129-K147 HydrophobicContact CG-CD 4.43Å; Q129-K147 HydrophobicContact CG-CG 4.3Å
148N68.6Low77.2Confident98 Ų9861.4 Ų61.452%0.52432%0.32SS..  trans-129.6141.6-169.8-85.4-10.2000114.9S150N148-S150 VanDerWaalsContact C-N 3.28Å; N148-S150 PolarHBondContact O-N 2.85Å
149D55.5Low77.7Confident125 Ų12554 Ų5467%0.66829%0.286SS*.  trans-81.611.6169.6-79.2-39000114.3V151 S182D149-V151 PolarHBondContact O-N 2.82Å; D149-S182 WeakPolarHBondContact OD1-CB 3.43Å; D149-S182 PolarHBondContact OD1-OG 2.91Å
150S50.5Low78.1Confident61 Ų6152.3 Ų52.343%0.42728%0.277SS..  trans-63.7131.6-17553.80000110.8N148 D152 N153N148-S150 VanDerWaalsContact C-N 3.28Å; N148-S150 PolarHBondContact O-N 2.85Å; S150-D152 PolarHBondContact O-N 3.26Å; S150-N153 PolarHBondContact O-N 2.66Å
151V46.4Very low78.1Confident158 Ų15853.4 Ų53.496%0.95828%0.28SS*.SBendtrans-51.1-17-177.2-175.70000113.9D149D149-V151 PolarHBondContact O-N 2.82Å
152D56.5Low77.9Confident109 Ų10953.8 Ų53.858%0.58328%0.282SS*.  trans-113.667.8178.6-162.750.4000111.7S150 T154S150-D152 PolarHBondContact O-N 3.26Å; D152-T154 PolarHBondContact O-N 2.82Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.45Å; D152-T154 VanDerWaalsContact OD2-CG2 3.29Å; D152-T154 WeakPolarHBondContact OD2-CG2 3.22Å; D152-T154 PolarHBondContact OD2-OG1 3.03Å
153N67.4Low77.6Confident28 Ų2853.5 Ų53.515%0.1528%0.279CS..  trans-69.944.4170.9-89.7-32.8000111.6S150 E155 F156 H157 Y184S150-N153 PolarHBondContact O-N 2.66Å; N153-E155 VanDerWaalsContact C-N 3.31Å; N153-E155 PolarHBondContact O-N 3.25Å; N153-F156 HydrophobicContact CB-CB 4.09Å; N153-F156 WeakPolarHBondContact O-CB 3.31Å; N153-F156 PolarHBondContact O-N 2.85Å; N153-H157 PolarHBondContact O-CD2 3.23Å; N153-H157 PolarHBondContact O-N 2.82Å; N153-Y184 WeakPolarHBondContact ND2-CE2 3.41Å
154T73.7Confident77.2Confident44 Ų4456.8 Ų56.827%0.2729%0.293SS..Hα-helixtrans-64.2-33.6-17743.70000112.6D152 R158D152-T154 PolarHBondContact O-N 2.82Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.45Å; D152-T154 VanDerWaalsContact OD2-CG2 3.29Å; D152-T154 WeakPolarHBondContact OD2-CG2 3.22Å; D152-T154 PolarHBondContact OD2-OG1 3.03Å; T154-R158 VanDerWaalsContact CB-NH2 3.33Å; T154-R158 VanDerWaalsContact O-CB 3.3Å; T154-R158 WeakPolarHBondContact O-CB 3.22Å; T154-R158 WeakPolarHBondContact O-CD 3.27Å; T154-R158 WeakPolarHBondContact O-CG 3.24Å; T154-R158 PolarHBondContact O-N 3.43Å; T154-R158 PolarHBondContact O-NE 3.47Å; T154-R158 PolarHBondContact OG1-NH2 3.34Å
155E74.2Confident76.8Confident61 Ų6161.8 Ų61.829%0.28531%0.312SS..Hα-helixtrans-64.3-44173.8-168.3171.4177.600111.7N153 R158 E159N153-E155 VanDerWaalsContact C-N 3.31Å; N153-E155 PolarHBondContact O-N 3.25Å; E155-R158 PolarHBondContact O-N 3.43Å; E155-E159 WeakPolarHBondContact O-CB 3.44Å; E155-E159 PolarHBondContact O-N 2.99Å
156F82.2Confident76.5Confident4 Ų461.6 Ų61.62%0.01831%0.31CS..Hα-helixtrans-59.5-54.6174.6174.4-105000112L146 N153 R158 E159 V160 I177 T179 Y184 I186L146-F156 HydrophobicContact CD1-CB 3.5Å; L146-F156 HydrophobicContact CD1-CD2 3.34Å; L146-F156 HydrophobicContact CD1-CE2 4.28Å; L146-F156 HydrophobicContact CD1-CG 3.66Å; N153-F156 HydrophobicContact CB-CB 4.09Å; N153-F156 WeakPolarHBondContact O-CB 3.31Å; N153-F156 PolarHBondContact O-N 2.85Å; F156-R158 VanDerWaalsContact C-N 3.26Å; F156-R158 PolarHBondContact O-N 2.75Å; F156-E159 PolarHBondContact O-N 3.39Å; F156-V160 HydrophobicContact CD1-CG2 4.49Å; F156-V160 HydrophobicContact CD2-CG2 4.01Å; F156-V160 HydrophobicContact CE1-CG2 4.19Å; F156-V160 HydrophobicContact CE2-CG2 3.72Å; F156-V160 HydrophobicContact CG-CG2 4.42Å; F156-V160 HydrophobicContact CZ-CG2 3.81Å; F156-V160 WeakPolarHBondContact O-CB 3.45Å; F156-V160 VanDerWaalsContact O-CG2 3.29Å; F156-V160 WeakPolarHBondContact O-CG2 3.16Å; F156-V160 PolarHBondContact O-N 3.5Å; F156-I177 HydrophobicContact CZ-CB 4.37Å; F156-T179 HydrophobicContact CE1-CG2 3.71Å; F156-T179 HydrophobicContact CZ-CG2 3.52Å; F156-Y184 HydrophobicContact CD1-CD2 4.06Å; F156-Y184 HydrophobicContact CE1-CD2 4.01Å; F156-Y184 HydrophobicContact CG-CD2 4.47Å; F156-Y184 HydrophobicContact CZ-CD2 4.35Å; F156-I186 HydrophobicContact CD2-CD1 3.79Å; F156-I186 HydrophobicContact CD2-CG1 3.71Å; F156-I186 HydrophobicContact CE2-CD1 4.08Å; F156-I186 HydrophobicContact CE2-CG1 3.49Å; F156-I186 VanDerWaalsContact CE2-CG1 3.49Å
157H82.1Confident76.6Confident112 Ų11265 Ų6552%0.51933%0.325SS..Hα-helixtrans-60.4-39.1-176.5-74-61.7000111.7N153 E161N153-H157 PolarHBondContact O-CD2 3.23Å; N153-H157 PolarHBondContact O-N 2.82Å; H157-E161 VanDerWaalsContact O-CB 3.28Å; H157-E161 WeakPolarHBondContact O-CB 3.5Å; H157-E161 PolarHBondContact O-N 3.23Å
158R80.9Confident77.2Confident69 Ų6963.4 Ų63.426%0.2632%0.319SS..Hα-helixtrans-68.2-45.4176.4-69.5177.2-139132.5-15.1112.4T154 E155 F156 V160 E161 I162T154-R158 VanDerWaalsContact CB-NH2 3.33Å; T154-R158 VanDerWaalsContact O-CB 3.3Å; T154-R158 WeakPolarHBondContact O-CB 3.22Å; T154-R158 WeakPolarHBondContact O-CD 3.27Å; T154-R158 WeakPolarHBondContact O-CG 3.24Å; T154-R158 PolarHBondContact O-N 3.43Å; T154-R158 PolarHBondContact O-NE 3.47Å; T154-R158 PolarHBondContact OG1-NH2 3.34Å; E155-R158 PolarHBondContact O-N 3.43Å; F156-R158 VanDerWaalsContact C-N 3.26Å; F156-R158 PolarHBondContact O-N 2.75Å; R158-V160 VanDerWaalsContact C-N 3.32Å; R158-V160 PolarHBondContact O-N 2.68Å; R158-E161 PolarHBondContact O-N 2.89Å; R158-I162 WeakPolarHBondContact O-CB 3.32Å; R158-I162 VanDerWaalsContact O-CG1 3.28Å; R158-I162 WeakPolarHBondContact O-CG1 3.36Å; R158-I162 PolarHBondContact O-N 3.2Å
159E87.8Confident78.4Confident9 Ų962.5 Ų62.54%0.04231%0.308CS..Hα-helixtrans-59.7-46177.6-172.4169.1-172.700110.5K144 E155 F156 I162 L163 I186 F255K144-E159 IonicContact NZ-OE1 3.55Å; K144-E159 PolarHBondContact NZ-OE1 2.82Å; K144-E159 IonicContact NZ-OE2 2.76Å; K144-E159 PolarHBondContact NZ-OE2 2.99Å; E155-E159 WeakPolarHBondContact O-CB 3.44Å; E155-E159 PolarHBondContact O-N 2.99Å; F156-E159 PolarHBondContact O-N 3.39Å; E159-I162 PolarHBondContact O-N 3.44Å; E159-L163 HydrophobicContact CG-CD1 3.84Å; E159-L163 HydrophobicContact CG-CG 4.39Å; E159-L163 VanDerWaalsContact O-CB 3.26Å; E159-L163 WeakPolarHBondContact O-CB 3.37Å; E159-L163 VanDerWaalsContact O-CG 3.25Å; E159-L163 WeakPolarHBondContact O-CG 3.03Å; E159-L163 PolarHBondContact O-N 3.36Å; E159-I186 HydrophobicContact CB-CD1 4.2Å; E159-I186 HydrophobicContact CG-CD1 3.96Å; E159-F255 HydrophobicContact CG-CB 4.23Å
160V88.3Confident80.3Confident9 Ų957.2 Ų57.26%0.05528%0.28CS..Hα-helixtrans-63.8-44.2176.9171.10000111.9F156 R158 I162 L163 K164 I177 I186F156-V160 HydrophobicContact CD1-CG2 4.49Å; F156-V160 HydrophobicContact CD2-CG2 4.01Å; F156-V160 HydrophobicContact CE1-CG2 4.19Å; F156-V160 HydrophobicContact CE2-CG2 3.72Å; F156-V160 HydrophobicContact CG-CG2 4.42Å; F156-V160 HydrophobicContact CZ-CG2 3.81Å; F156-V160 WeakPolarHBondContact O-CB 3.45Å; F156-V160 VanDerWaalsContact O-CG2 3.29Å; F156-V160 WeakPolarHBondContact O-CG2 3.16Å; F156-V160 PolarHBondContact O-N 3.5Å; R158-V160 VanDerWaalsContact C-N 3.32Å; R158-V160 PolarHBondContact O-N 2.68Å; V160-I162 VanDerWaalsContact C-N 3.33Å; V160-I162 PolarHBondContact O-N 2.94Å; V160-L163 PolarHBondContact O-N 2.88Å; V160-K164 HydrophobicContact CG1-CD 3.98Å; V160-K164 HydrophobicContact CG1-CG 4.26Å; V160-K164 WeakPolarHBondContact O-CB 3.38Å; V160-K164 VanDerWaalsContact O-CG 3.25Å; V160-K164 WeakPolarHBondContact O-CG 3.4Å; V160-K164 PolarHBondContact O-N 2.74Å; V160-I177 HydrophobicContact CG1-CD1 3.93Å; V160-I177 HydrophobicContact CG1-CG2 3.95Å; V160-I177 HydrophobicContact CG2-CG2 3.7Å; V160-I186 HydrophobicContact CG2-CD1 4.02Å; V160-I186 HydrophobicContact CG2-CG1 4.06Å
161E88.8Confident82.5Confident91 Ų9154.4 Ų54.443%0.42526%0.26SS..Hα-helixtrans-61.7-41.5179.1-174.9-175.5172.800112H157 R158 R165H157-E161 VanDerWaalsContact O-CB 3.28Å; H157-E161 WeakPolarHBondContact O-CB 3.5Å; H157-E161 PolarHBondContact O-N 3.23Å; R158-E161 PolarHBondContact O-N 2.89Å; E161-R165 WeakPolarHBondContact O-CG 3.31Å; E161-R165 IonicContact OE1-CZ 3.41Å; E161-R165 IonicContact OE1-NH1 3.76Å; E161-R165 IonicContact OE1-NH2 3.74Å; E161-R165 PolarHBondContact OE1-NH2 2.77Å
162I89.1Confident84.8Confident8 Ų847.3 Ų47.34%0.04122%0.216CC..Hα-helixtrans-65-55.6175.2-68.5-83.1000109.3R158 E159 V160 K164 R165 L166 F255 A258 L260R158-I162 WeakPolarHBondContact O-CB 3.32Å; R158-I162 VanDerWaalsContact O-CG1 3.28Å; R158-I162 WeakPolarHBondContact O-CG1 3.36Å; R158-I162 PolarHBondContact O-N 3.2Å; E159-I162 PolarHBondContact O-N 3.44Å; V160-I162 VanDerWaalsContact C-N 3.33Å; V160-I162 PolarHBondContact O-N 2.94Å; I162-K164 VanDerWaalsContact C-N 3.29Å; I162-K164 PolarHBondContact O-N 3.04Å; I162-R165 PolarHBondContact O-N 2.81Å; I162-L166 HydrophobicContact CG2-CD1 3.34Å; I162-L166 HydrophobicContact CG2-CG 4.01Å; I162-L166 WeakPolarHBondContact O-CG 3.47Å; I162-L166 PolarHBondContact O-N 2.78Å; I162-F255 HydrophobicContact CB-CB 4.4Å; I162-F255 HydrophobicContact CG2-CB 3.87Å; I162-F255 HydrophobicContact CG2-CD1 3.72Å; I162-F255 HydrophobicContact CG2-CG 3.88Å; I162-A258 HydrophobicContact CD1-CB 4.28Å; I162-A258 HydrophobicContact CG1-CB 4.27Å; I162-A258 HydrophobicContact CG2-CB 4.35Å; I162-L260 HydrophobicContact CD1-CD2 4.32Å; I162-L260 HydrophobicContact CD1-CG 4.08Å
163L90.4Very high86.4Confident3 Ų343 Ų432%0.01620%0.195CC..Hα-helixtrans-59.4-34.8-175.8-78.7175.8000113.7E159 V160 R165 I172 L174 I186 F255E159-L163 HydrophobicContact CG-CD1 3.84Å; E159-L163 HydrophobicContact CG-CG 4.39Å; E159-L163 VanDerWaalsContact O-CB 3.26Å; E159-L163 WeakPolarHBondContact O-CB 3.37Å; E159-L163 VanDerWaalsContact O-CG 3.25Å; E159-L163 WeakPolarHBondContact O-CG 3.03Å; E159-L163 PolarHBondContact O-N 3.36Å; V160-L163 PolarHBondContact O-N 2.88Å; L163-R165 PolarHBondContact O-N 3.32Å; L163-I172 HydrophobicContact CD2-CG2 3.68Å; L163-L174 HydrophobicContact CB-CB 4Å; L163-L174 HydrophobicContact CB-CD2 4.13Å; L163-L174 HydrophobicContact CB-CG 4.49Å; L163-L174 HydrophobicContact CD1-CD1 4.28Å; L163-I186 HydrophobicContact CD1-CG2 3.99Å; L163-F255 HydrophobicContact CD2-CD2 3.54Å; L163-F255 HydrophobicContact CD2-CE2 3.92Å; L163-F255 HydrophobicContact CD2-CG 4.42Å; L163-F255 HydrophobicContact CG-CD2 4.21Å
164K88Confident87.5Confident69 Ų6941.9 Ų41.930%0.319%0.189SC..THydrogen-bonded Turntrans-65.2-21.5174.8-77.3-177.9177.6-167.40113.9W109 V160 I162 H167 L174W109-K164 HydrophobicContact CD2-CD 4.31Å; W109-K164 HydrophobicContact CD2-CG 3.92Å; W109-K164 HydrophobicContact CE3-CG 4.47Å; W109-K164 HydrophobicContact CG-CD 4.01Å; W109-K164 HydrophobicContact CG-CG 4.15Å; W109-K164 HydrophobicContact CZ2-CB 4.48Å; W109-K164 HydrophobicContact CZ2-CG 4.3Å; V160-K164 HydrophobicContact CG1-CD 3.98Å; V160-K164 HydrophobicContact CG1-CG 4.26Å; V160-K164 WeakPolarHBondContact O-CB 3.38Å; V160-K164 VanDerWaalsContact O-CG 3.25Å; V160-K164 WeakPolarHBondContact O-CG 3.4Å; V160-K164 PolarHBondContact O-N 2.74Å; I162-K164 VanDerWaalsContact C-N 3.29Å; I162-K164 PolarHBondContact O-N 3.04Å; K164-H167 PolarHBondContact O-CE1 3.02Å; K164-H167 VanDerWaalsContact O-CE1 3.32Å; K164-L174 HydrophobicContact CG-CD2 3.59Å
165R86.8Confident88.1Confident129 Ų12940.1 Ų40.149%0.48718%0.178SC..THydrogen-bonded Turntrans-97.1-31.8-176.8-66.4177.5-171.7-166.98.3112.2E161 I162 L163 H167E161-R165 WeakPolarHBondContact O-CG 3.31Å; E161-R165 IonicContact OE1-CZ 3.41Å; E161-R165 IonicContact OE1-NH1 3.76Å; E161-R165 IonicContact OE1-NH2 3.74Å; E161-R165 PolarHBondContact OE1-NH2 2.77Å; I162-R165 PolarHBondContact O-N 2.81Å; L163-R165 PolarHBondContact O-N 3.32Å; R165-H167 PolarHBondContact O-ND1 3.03Å; R165-H167 VanDerWaalsContact O-ND1 3.08Å
166L85.7Confident88.9Confident10 Ų1037.2 Ų37.25%0.05216%0.164CC..  trans-82.5120.5-173-59.6177.4000111.2I162 L171 Y226 L227 Q230 F255I162-L166 HydrophobicContact CG2-CD1 3.34Å; I162-L166 HydrophobicContact CG2-CG 4.01Å; I162-L166 WeakPolarHBondContact O-CG 3.47Å; I162-L166 PolarHBondContact O-N 2.78Å; L166-L171 HydrophobicContact CB-CD1 4.15Å; L166-L171 HydrophobicContact CD1-CD1 4.23Å; L166-Y226 HydrophobicContact CB-CE1 4.26Å; L166-Y226 HydrophobicContact CD2-CD1 4.39Å; L166-Y226 HydrophobicContact CD2-CE1 3.78Å; L166-L227 HydrophobicContact CD1-CD2 3.53Å; L166-L227 HydrophobicContact CD2-CD2 3.66Å; L166-L227 HydrophobicContact CG-CD2 4.24Å; L166-Q230 HydrophobicContact CD2-CB 4.25Å; L166-Q230 HydrophobicContact CD2-CG 4.16Å; L166-F255 HydrophobicContact CD1-CD1 4Å; L166-F255 HydrophobicContact CD1-CE1 3.63Å; L166-F255 HydrophobicContact CD1-CZ 3.92Å
167H87.1Confident89.3Confident87 Ų8737.5 Ų37.540%0.40317%0.165SC..  trans-131.699.7176.8-63.385.3000108.9K164 R165 Y226K164-H167 PolarHBondContact O-CE1 3.02Å; K164-H167 VanDerWaalsContact O-CE1 3.32Å; R165-H167 PolarHBondContact O-ND1 3.03Å; R165-H167 VanDerWaalsContact O-ND1 3.08Å; H167-Y226 PolarHBondContact N-OH 3.22Å; H167-Y226 VanDerWaalsContact N-OH 3.08Å; H167-Y226 PolarHBondContact O-OH 3.5Å
168H91.6Very high89.8Confident47 Ų4732.1 Ų32.122%0.21814%0.141CC..  trans-157.2142.2-178.6-169.9-95.3000110.7H170 L171 D222 Y226H168-H170 AromaticContact CE1-CD2 3.9Å; H168-H170 PolarHBondContact ND1-N 3.37Å; H168-H170 VanDerWaalsContact ND1-N 3.14Å; H168-H170 PolarHBondContact O-N 2.68Å; H168-H170 VanDerWaalsContact O-N 3.16Å; H168-L171 HydrophobicContact CB-CB 4.22Å; H168-L171 HydrophobicContact CB-CD1 3.85Å; H168-L171 HydrophobicContact CB-CG 3.87Å; H168-L171 PolarHBondContact O-N 3.05Å; H168-D222 IonicContact CE1-OD2 3.81Å; H168-D222 PolarHBondContact CE1-OD2 2.94Å; H168-D222 IonicContact NE2-OD2 3.34Å; H168-D222 PolarHBondContact NE2-OD2 3.14Å; H168-Y226 HydrophobicContact CB-CD1 3.84Å; H168-Y226 HydrophobicContact CB-CD2 4.26Å; H168-Y226 HydrophobicContact CB-CE1 4.13Å; H168-Y226 HydrophobicContact CB-CG 3.87Å; H168-Y226 AromaticContact CD2-CD2 3.8Å; H168-Y226 AromaticContact CD2-CG 3.76Å; H168-Y226 AromaticContact CG-CG 3.91Å
169R92.6Very high90.1Very high79 Ų7931 Ų3130%0.29814%0.141SC..THydrogen-bonded Turntrans-57.6-33.4-176.3-173.3175.8-159.9138.7-2.5113.3E10 I249 K251E10-R169 IonicContact OE1-CZ 2.71Å; E10-R169 IonicContact OE1-NE 2.83Å; E10-R169 IonicContact OE1-NH2 3.47Å; E10-R169 PolarHBondContact OE1-NH2 2.83Å; E10-R169 IonicContact OE2-NH2 3.52Å; E10-R169 PolarHBondContact OE2-NH2 3.15Å; R169-I249 HydrophobicContact CG-CD1 3.85Å; R169-K251 WeakPolarHBondContact O-CD 3.48Å; R169-K251 WeakPolarHBondContact O-CE 3.31Å; R169-K251 WeakPolarHBondContact O-CG 3.41Å; R169-K251 PolarHBondContact O-NZ 3.36Å
170H97.3Very high89.9Confident15 Ų1536.2 Ų36.27%0.06917%0.166CC..THydrogen-bonded Turntrans-98.218-180-61.8-57.1000114.7H168 Q219 D222 C250 K251 V252H168-H170 AromaticContact CE1-CD2 3.9Å; H168-H170 PolarHBondContact ND1-N 3.37Å; H168-H170 VanDerWaalsContact ND1-N 3.14Å; H168-H170 PolarHBondContact O-N 2.68Å; H168-H170 VanDerWaalsContact O-N 3.16Å; H170-Q219 WeakPolarHBondContact CB-O 3.3Å; H170-Q219 VanDerWaalsContact CE1-CG 3.42Å; H170-Q219 WeakPolarHBondContact CE1-CG 3.4Å; H170-Q219 PolarHBondContact CE1-OE1 2.78Å; H170-Q219 VanDerWaalsContact CG-O 3.31Å; H170-Q219 PolarHBondContact ND1-OE1 3.23Å; H170-D222 IonicContact CD2-OD2 2.7Å; H170-D222 PolarHBondContact CD2-OD2 2.88Å; H170-C250 PolarHBondContact ND1-O 3.37Å; H170-K251 CarbonylContact O-C 3.53Å; H170-K251 VanDerWaalsContact O-CA 3.3Å; H170-K251 WeakPolarHBondContact O-CA 3.44Å; H170-V252 PolarHBondContact O-N 3.41Å
171L95.8Very high89.8Confident2 Ų238.5 Ų38.51%0.0118%0.182CC..BIsolated β-bridgetrans-122.5145.4170.5-58.2-178.8000109.2L166 H168 S173 Y226 L227 V252 F255L166-L171 HydrophobicContact CB-CD1 4.15Å; L166-L171 HydrophobicContact CD1-CD1 4.23Å; H168-L171 HydrophobicContact CB-CB 4.22Å; H168-L171 HydrophobicContact CB-CD1 3.85Å; H168-L171 HydrophobicContact CB-CG 3.87Å; H168-L171 PolarHBondContact O-N 3.05Å; L171-S173 PolarHBondContact O-N 3.4Å; L171-Y226 HydrophobicContact CD1-CD1 3.47Å; L171-Y226 VanDerWaalsContact CD1-CD1 3.47Å; L171-Y226 HydrophobicContact CD1-CE1 3.94Å; L171-Y226 HydrophobicContact CD1-CG 4.46Å; L171-L227 HydrophobicContact CD1-CD2 4.24Å; L171-L227 HydrophobicContact CD1-CG 3.99Å; L171-L227 HydrophobicContact CD2-CD1 3.95Å; L171-L227 HydrophobicContact CD2-CG 4.24Å; L171-V252 HydrophobicContact CD2-CB 3.71Å; L171-V252 HydrophobicContact CD2-CG2 4.12Å; L171-F255 HydrophobicContact CD2-CZ 4.19Å
172I95Very high89.6Confident8 Ų836.4 Ų36.44%0.04118%0.178CC..PPolyproline II helixtrans-63.9131.7-178.9-159.268.4000110.9L163 T188 E189 M191 L243 V252 A253 F255L163-I172 HydrophobicContact CD2-CG2 3.68Å; I172-T188 HydrophobicContact CG1-CG2 4.32Å; I172-E189 HydrophobicContact CD1-CG 3.31Å; I172-E189 HydrophobicContact CG1-CG 4.07Å; I172-M191 HydrophobicContact CD1-CG 3.63Å; I172-M191 HydrophobicContact CD1-SD 4.13Å; I172-L243 HydrophobicContact CD1-CD1 3.9Å; I172-L243 HydrophobicContact CG1-CD1 4.44Å; I172-V252 PolarHBondContact N-O 3.18Å; I172-A253 HydrophobicContact CB-CB 4.04Å; I172-A253 HydrophobicContact CG2-CB 4.06Å; I172-F255 HydrophobicContact CG2-CD2 4.27Å; I172-F255 HydrophobicContact CG2-CE2 3.86Å
173S89.6Confident89.6Confident20 Ų2038.4 Ų38.414%0.1419%0.191CC..PPolyproline II helixtrans-87.5130.6179.8-54.20000111.2L171 T188 E189L171-S173 PolarHBondContact O-N 3.4Å; S173-T188 VanDerWaalsContact O-CA 3.22Å; S173-T188 WeakPolarHBondContact O-CA 3.39Å; S173-T188 WeakPolarHBondContact O-CB 3.31Å; S173-E189 VanDerWaalsContact CB-OE1 3.27Å; S173-E189 WeakPolarHBondContact CB-OE1 3.14Å; S173-E189 PolarHBondContact N-OE1 3.26Å; S173-E189 PolarHBondContact O-N 2.85Å; S173-E189 PolarHBondContact OG-OE1 2.8Å
174L90.5Very high89.6Confident4 Ų441.4 Ų41.42%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-76.2136.5165.3-178.471.4000109.2N103 W109 L163 K164 A176 I177 I186 I187N103-L174 PolarHBondContact OD1-O 3.2Å; W109-L174 HydrophobicContact CD2-CD2 4.18Å; W109-L174 HydrophobicContact CE3-CD2 3.52Å; W109-L174 HydrophobicContact CE3-CG 3.82Å; W109-L174 HydrophobicContact CH2-CD2 4.43Å; W109-L174 HydrophobicContact CZ3-CB 3.92Å; W109-L174 HydrophobicContact CZ3-CD2 3.68Å; W109-L174 HydrophobicContact CZ3-CG 3.71Å; W109-L174 WeakPolarHBondContact CZ3-O 3.45Å; L163-L174 HydrophobicContact CB-CB 4Å; L163-L174 HydrophobicContact CB-CD2 4.13Å; L163-L174 HydrophobicContact CB-CG 4.49Å; L163-L174 HydrophobicContact CD1-CD1 4.28Å; K164-L174 HydrophobicContact CG-CD2 3.59Å; L174-A176 WeakPolarHBondContact CD1-O 3.28Å; L174-I177 HydrophobicContact CD1-CG2 4.06Å; L174-I177 HydrophobicContact CD2-CG2 4.41Å; L174-I186 HydrophobicContact CD1-CG2 3.53Å; L174-I187 WeakPolarHBondContact CD1-O 3.39Å
175F87.2Confident89.8Confident7 Ų739.5 Ų39.53%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-106-41.9170.2-64.4-19.5000111.7V99 V141 I187 E189V99-F175 HydrophobicContact CB-CE1 4.22Å; V99-F175 HydrophobicContact CB-CE2 4.37Å; V99-F175 HydrophobicContact CB-CZ 3.69Å; V99-F175 HydrophobicContact CG1-CD1 4.19Å; V99-F175 HydrophobicContact CG1-CD2 4.24Å; V99-F175 HydrophobicContact CG1-CE1 3.46Å; V99-F175 VanDerWaalsContact CG1-CE1 3.46Å; V99-F175 HydrophobicContact CG1-CE2 3.5Å; V99-F175 HydrophobicContact CG1-CZ 3.07Å; V99-F175 HydrophobicContact CG2-CZ 4.26Å; V141-F175 HydrophobicContact CG1-CD2 3.86Å; V141-F175 HydrophobicContact CG1-CE2 4.18Å; F175-I187 HydrophobicContact CB-CG2 4.34Å; F175-I187 PolarHBondContact N-O 3.08Å; F175-E189 HydrophobicContact CE1-CB 4.08Å; F175-E189 VanDerWaalsContact CE2-CA 3.41Å; F175-E189 HydrophobicContact CE2-CB 3.86Å; F175-E189 HydrophobicContact CZ-CB 3.37Å
176A89.6Confident90.1Very high0 Ų033.4 Ų33.40%017%0.171CC..EExtended strand (participates in β ladder)trans-161.5166.7-177.500000112.2W109 L111 F116 L174 I187W109-A176 CarbonylContact O-C 3.58Å; W109-A176 WeakPolarHBondContact O-CA 3.32Å; L111-A176 HydrophobicContact CB-CB 4.13Å; L111-A176 HydrophobicContact CD1-CB 3.69Å; L111-A176 HydrophobicContact CG-CB 3.91Å; F116-A176 HydrophobicContact CZ-CB 3.89Å; L174-A176 WeakPolarHBondContact CD1-O 3.28Å; A176-I187 HydrophobicContact CB-CB 4.1Å; A176-I187 HydrophobicContact CB-CG1 4.07Å; A176-I187 PolarHBondContact N-O 3.12Å; A176-I187 WeakPolarHBondContact O-CA 3.47Å; A176-I187 WeakPolarHBondContact O-CB 3.49Å; A176-I187 PolarHBondContact O-N 3.38Å
177I92Very high90.5Very high9 Ų932.9 Ų32.95%0.04617%0.168CC..EExtended strand (participates in β ladder)trans-125.9146.8166.563178.1000109.7W109 V110 L111 F156 V160 L174 T179 Y185W109-I177 HydrophobicContact CB-CG1 4.41Å; W109-I177 WeakPolarHBondContact O-CG1 3.38Å; W109-I177 PolarHBondContact O-N 3.24Å; V110-I177 WeakPolarHBondContact CA-O 3.32Å; V110-I177 HydrophobicContact CG2-CD1 3.98Å; V110-I177 HydrophobicContact CG2-CG1 3.94Å; L111-I177 PolarHBondContact N-O 3.12Å; F156-I177 HydrophobicContact CZ-CB 4.37Å; V160-I177 HydrophobicContact CG1-CD1 3.93Å; V160-I177 HydrophobicContact CG1-CG2 3.95Å; V160-I177 HydrophobicContact CG2-CG2 3.7Å; L174-I177 HydrophobicContact CD1-CG2 4.06Å; L174-I177 HydrophobicContact CD2-CG2 4.41Å; I177-T179 HydrophobicContact CD1-CG2 4.17Å; I177-T179 HydrophobicContact CG1-CG2 4.37Å; I177-Y185 CarbonylContact C-O 3.59Å; I177-Y185 VanDerWaalsContact CA-O 3.32Å; I177-Y185 WeakPolarHBondContact CA-O 3.48Å
178C91Very high90.9Very high0 Ų029.7 Ų29.70%016%0.155CC..EExtended strand (participates in β ladder)trans-116.9109.6172.7-54.50000109.6L111 K113 Y184 Y185L111-C178 PolarHBondContact O-SG 3.34Å; K113-C178 HydrophobicContact CG-CB 3.65Å; C178-Y184 WeakPolarHBondContact O-CA 3.18Å; C178-Y185 HydrophobicContact CB-CD2 3.97Å; C178-Y185 HydrophobicContact CB-CG 4.1Å; C178-Y185 PolarHBondContact N-O 3.23Å; C178-Y185 PolarHBondContact O-N 2.96Å
179T88Confident90.8Very high45 Ų4528.9 Ų28.928%0.27615%0.151SC..  trans-123.78.1-175.457.80000113.9F156 I177 S181 Y184F156-T179 HydrophobicContact CE1-CG2 3.71Å; F156-T179 HydrophobicContact CZ-CG2 3.52Å; I177-T179 HydrophobicContact CD1-CG2 4.17Å; I177-T179 HydrophobicContact CG1-CG2 4.37Å; T179-S181 VanDerWaalsContact C-N 3.26Å; T179-S181 PolarHBondContact O-N 3.18Å; T179-Y184 HydrophobicContact CG2-CG 4.46Å
180E84.6Confident90.9Very high118 Ų11826.3 Ų26.355%0.55114%0.143SC*.SBendtrans-62.1-33.1-178.869.1-171.7169.300113.1K113K113-E180 WeakPolarHBondContact CB-OE1 3.42Å; K113-E180 HydrophobicContact CG-CG 4.49Å; K113-E180 VanDerWaalsContact CG-OE1 3.25Å; K113-E180 WeakPolarHBondContact CG-OE1 3.41Å; K113-E180 PolarHBondContact N-OE1 3.06Å
181S84.8Confident90.8Very high57 Ų5726.2 Ų26.240%0.39914%0.143SC..SBendtrans-157.1153.7179.358.40000109.4K113 T179K113-S181 VanDerWaalsContact CE-O 3.31Å; K113-S181 WeakPolarHBondContact CE-O 3.37Å; K113-S181 PolarHBondContact NZ-O 2.95Å; K113-S181 PolarHBondContact NZ-OG 3.28Å; T179-S181 VanDerWaalsContact C-N 3.26Å; T179-S181 PolarHBondContact O-N 3.18Å
182S85Confident90.6Very high48 Ų4829.7 Ų29.734%0.33616%0.159SC..SBendtrans-70149.6169.7-177.30000111.9K113 D149K113-S182 PolarHBondContact NZ-O 3.34Å; D149-S182 WeakPolarHBondContact OD1-CB 3.43Å; D149-S182 PolarHBondContact OD1-OG 2.91Å
183P89.3Confident90.6Very high49 Ų4932.3 Ų32.332%0.31817%0.17SC..SBendcis-71.3141.2-5.727.3-33.3000112.7K113 V145 L146 Y185K113-P183 WeakPolarHBondContact CE-O 3.22Å; K113-P183 PolarHBondContact NZ-O 2.88Å; V145-P183 HydrophobicContact CG1-CB 3.75Å; V145-P183 HydrophobicContact CG1-CG 3.82Å; L146-P183 VanDerWaalsContact O-CB 3.23Å; L146-P183 WeakPolarHBondContact O-CB 2.94Å; P183-Y185 HydrophobicContact CB-CE1 4.47Å; P183-Y185 HydrophobicContact CG-CE1 4.03Å; P183-Y185 WeakPolarHBondContact O-CD1 3.33Å; P183-Y185 VanDerWaalsContact O-CE1 3.31Å; P183-Y185 WeakPolarHBondContact O-CE1 3.34Å
184Y89.9Confident90.9Very high66 Ų6632.4 Ų32.426%0.25917%0.174SC..PPolyproline II helixtrans-75.2144.8177.8-62.1-20.9000111.8L146 N153 F156 C178 T179L146-Y184 PolarHBondContact N-O 3.23Å; L146-Y184 VanDerWaalsContact N-O 3.13Å; N153-Y184 WeakPolarHBondContact ND2-CE2 3.41Å; F156-Y184 HydrophobicContact CD1-CD2 4.06Å; F156-Y184 HydrophobicContact CE1-CD2 4.01Å; F156-Y184 HydrophobicContact CG-CD2 4.47Å; F156-Y184 HydrophobicContact CZ-CD2 4.35Å; C178-Y184 WeakPolarHBondContact O-CA 3.18Å; T179-Y184 HydrophobicContact CG2-CG 4.46Å
185Y92.9Very high91.2Very high29 Ų2933.4 Ų33.411%0.11418%0.181CC..EExtended strand (participates in β ladder)trans-113.5138.8179.3-54.2-17.8000111.7K113 I118 I143 K144 V145 I177 C178 P183 I187K113-Y185 HydrophobicContact CB-CE2 4.16Å; K113-Y185 HydrophobicContact CD-CD2 4.38Å; K113-Y185 HydrophobicContact CD-CE2 3.79Å; K113-Y185 HydrophobicContact CG-CD2 3.92Å; K113-Y185 HydrophobicContact CG-CE2 3.65Å; I118-Y185 HydrophobicContact CD1-CE2 4.2Å; I143-Y185 HydrophobicContact CG2-CD1 4.35Å; I143-Y185 HydrophobicContact CG2-CD2 3.95Å; I143-Y185 HydrophobicContact CG2-CE2 4.49Å; I143-Y185 HydrophobicContact CG2-CG 3.9Å; K144-Y185 WeakPolarHBondContact O-CA 3.46Å; V145-Y185 HydrophobicContact CB-CD1 4.21Å; V145-Y185 HydrophobicContact CB-CE1 4.2Å; V145-Y185 HydrophobicContact CG1-CD1 4.14Å; V145-Y185 HydrophobicContact CG1-CE1 3.78Å; V145-Y185 HydrophobicContact CG2-CD1 3.76Å; V145-Y185 HydrophobicContact CG2-CE1 3.67Å; I177-Y185 CarbonylContact C-O 3.59Å; I177-Y185 VanDerWaalsContact CA-O 3.32Å; I177-Y185 WeakPolarHBondContact CA-O 3.48Å; C178-Y185 HydrophobicContact CB-CD2 3.97Å; C178-Y185 HydrophobicContact CB-CG 4.1Å; C178-Y185 PolarHBondContact N-O 3.23Å; C178-Y185 PolarHBondContact O-N 2.96Å; P183-Y185 HydrophobicContact CB-CE1 4.47Å; P183-Y185 HydrophobicContact CG-CE1 4.03Å; P183-Y185 WeakPolarHBondContact O-CD1 3.33Å; P183-Y185 VanDerWaalsContact O-CE1 3.31Å; P183-Y185 WeakPolarHBondContact O-CE1 3.34Å; Y185-I187 HydrophobicContact CD2-CD1 4.49Å
186I93.3Very high91.8Very high1 Ų133 Ų331%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-107.2123.9160-55.9176.8000106.9K144 F156 E159 V160 L163 L174 T188K144-I186 HydrophobicContact CB-CB 4.24Å; K144-I186 HydrophobicContact CD-CD1 4.48Å; K144-I186 PolarHBondContact N-O 3.46Å; K144-I186 PolarHBondContact O-N 2.69Å; F156-I186 HydrophobicContact CD2-CD1 3.79Å; F156-I186 HydrophobicContact CD2-CG1 3.71Å; F156-I186 HydrophobicContact CE2-CD1 4.08Å; F156-I186 HydrophobicContact CE2-CG1 3.49Å; F156-I186 VanDerWaalsContact CE2-CG1 3.49Å; E159-I186 HydrophobicContact CB-CD1 4.2Å; E159-I186 HydrophobicContact CG-CD1 3.96Å; V160-I186 HydrophobicContact CG2-CD1 4.02Å; V160-I186 HydrophobicContact CG2-CG1 4.06Å; L163-I186 HydrophobicContact CD1-CG2 3.99Å; L174-I186 HydrophobicContact CD1-CG2 3.53Å; I186-T188 HydrophobicContact CG2-CG2 4.12Å
187I94.3Very high92.2Very high0 Ų034.5 Ų34.50%019%0.188CC..EExtended strand (participates in β ladder)trans-106.5118.8-179.2-45.5-61.8000108.7F116 V141 A142 I143 L174 F175 A176 Y185F116-I187 HydrophobicContact CD1-CD1 4.09Å; F116-I187 HydrophobicContact CD1-CG1 4.26Å; F116-I187 HydrophobicContact CD1-CG2 4.14Å; F116-I187 HydrophobicContact CD2-CD1 4.4Å; F116-I187 HydrophobicContact CE1-CB 4.27Å; F116-I187 HydrophobicContact CE1-CD1 4.24Å; F116-I187 HydrophobicContact CE1-CG1 3.89Å; F116-I187 HydrophobicContact CE1-CG2 3.64Å; F116-I187 HydrophobicContact CE2-CG1 4.16Å; F116-I187 HydrophobicContact CG-CD1 4.17Å; F116-I187 HydrophobicContact CZ-CB 4.46Å; F116-I187 HydrophobicContact CZ-CD1 4.45Å; F116-I187 HydrophobicContact CZ-CG1 3.83Å; F116-I187 HydrophobicContact CZ-CG2 4.28Å; V141-I187 HydrophobicContact CB-CG2 3.75Å; V141-I187 HydrophobicContact CG1-CG2 3.92Å; V141-I187 HydrophobicContact CG2-CG2 4.01Å; A142-I187 WeakPolarHBondContact O-CA 3.38Å; I143-I187 HydrophobicContact CB-CD1 4.2Å; I143-I187 HydrophobicContact CD1-CD1 4.41Å; I143-I187 HydrophobicContact CG1-CD1 3.86Å; I143-I187 HydrophobicContact CG2-CD1 3.82Å; L174-I187 WeakPolarHBondContact CD1-O 3.39Å; F175-I187 HydrophobicContact CB-CG2 4.34Å; F175-I187 PolarHBondContact N-O 3.08Å; A176-I187 HydrophobicContact CB-CB 4.1Å; A176-I187 HydrophobicContact CB-CG1 4.07Å; A176-I187 PolarHBondContact N-O 3.12Å; A176-I187 WeakPolarHBondContact O-CA 3.47Å; A176-I187 WeakPolarHBondContact O-CB 3.49Å; A176-I187 PolarHBondContact O-N 3.38Å; Y185-I187 HydrophobicContact CD2-CD1 4.49Å
188T94.2Very high92.5Very high20 Ų2040.2 Ų40.212%0.12321%0.214CC..EExtended strand (participates in β ladder)trans-122.4171.4176.7660000111A142 I172 S173 I186A142-T188 PolarHBondContact N-O 2.9Å; A142-T188 PolarHBondContact O-N 2.71Å; I172-T188 HydrophobicContact CG1-CG2 4.32Å; S173-T188 VanDerWaalsContact O-CA 3.22Å; S173-T188 WeakPolarHBondContact O-CA 3.39Å; S173-T188 WeakPolarHBondContact O-CB 3.31Å; I186-T188 HydrophobicContact CG2-CG2 4.12Å
189E90.7Very high92.8Very high29 Ų2940.8 Ų40.814%0.13622%0.217CC..EExtended strand (participates in β ladder)trans-54146.7164.467.4-174.2118.900111.7I172 S173 F175 M191 K251I172-E189 HydrophobicContact CD1-CG 3.31Å; I172-E189 HydrophobicContact CG1-CG 4.07Å; S173-E189 VanDerWaalsContact CB-OE1 3.27Å; S173-E189 WeakPolarHBondContact CB-OE1 3.14Å; S173-E189 PolarHBondContact N-OE1 3.26Å; S173-E189 PolarHBondContact O-N 2.85Å; S173-E189 PolarHBondContact OG-OE1 2.8Å; F175-E189 HydrophobicContact CE1-CB 4.08Å; F175-E189 VanDerWaalsContact CE2-CA 3.41Å; F175-E189 HydrophobicContact CE2-CB 3.86Å; F175-E189 HydrophobicContact CZ-CB 3.37Å; E189-M191 HydrophobicContact CG-SD 4.22Å; E189-K251 VanDerWaalsContact OE1-CD 3.31Å; E189-K251 WeakPolarHBondContact OE1-CD 3.49Å; E189-K251 IonicContact OE1-NZ 2.98Å; E189-K251 PolarHBondContact OE1-NZ 2.81Å; E189-K251 VanDerWaalsContact OE2-CE 3.24Å; E189-K251 WeakPolarHBondContact OE2-CE 3.37Å; E189-K251 IonicContact OE2-NZ 2.91Å; E189-K251 PolarHBondContact OE2-NZ 2.8Å
190L94.4Very high93.3Very high25 Ų2538.6 Ų38.613%0.13120%0.203CC..  trans-90.2123.4175.6-178.364.6000110.3L122 R132 N140 A142 E192L122-L190 HydrophobicContact CD1-CD1 3.6Å; R132-L190 HydrophobicContact CG-CD2 3.88Å; R132-L190 VanDerWaalsContact CZ-CD2 3.46Å; N140-L190 HydrophobicContact CB-CB 4.3Å; N140-L190 HydrophobicContact CB-CD2 3.78Å; A142-L190 HydrophobicContact CB-CD1 4.13Å; L190-E192 WeakPolarHBondContact CD2-OE1 3.2Å
191M95.2Very high94Very high13 Ų1339.4 Ų39.46%0.06420%0.201CC..  trans-98.398.5176.4-60.1-64.2-75.900109.3I172 E189 K193 G194 L243 V244 G245 I249 K251I172-M191 HydrophobicContact CD1-CG 3.63Å; I172-M191 HydrophobicContact CD1-SD 4.13Å; E189-M191 HydrophobicContact CG-SD 4.22Å; M191-K193 PolarHBondContact O-N 3.31Å; M191-K193 VanDerWaalsContact O-N 3.13Å; M191-G194 PolarHBondContact O-N 3.1Å; M191-L243 HydrophobicContact CB-CB 3.65Å; M191-L243 HydrophobicContact CB-CD1 4.24Å; M191-L243 HydrophobicContact CB-CG 4.46Å; M191-L243 HydrophobicContact CE-CB 4.15Å; M191-L243 WeakPolarHBondContact CE-O 3.2Å; M191-L243 HydrophobicContact CG-CB 3.56Å; M191-L243 HydrophobicContact CG-CD1 3.87Å; M191-L243 HydrophobicContact CG-CG 4.36Å; M191-V244 CarbonylContact C-O 3.53Å; M191-G245 VanDerWaalsContact CE-N 3.26Å; M191-I249 HydrophobicContact CE-CG2 4.28Å; M191-K251 HydrophobicContact CE-CB 3.88Å; M191-K251 HydrophobicContact CE-CD 3.9Å; M191-K251 HydrophobicContact CE-CG 3.61Å; M191-K251 HydrophobicContact SD-CD 3.98Å; M191-K251 HydrophobicContact SD-CG 4.35Å
192E91.3Very high94.6Very high76 Ų7638 Ų3836%0.35520%0.196SC..THydrogen-bonded Turntrans-61.9-23.1-165.2-68.6-71.9-178.400114.7R132 N140 L190R132-E192 IonicContact CZ-OE1 2.69Å; R132-E192 IonicContact CZ-OE2 2.78Å; R132-E192 IonicContact NH1-OE1 2.82Å; R132-E192 IonicContact NH1-OE2 2.88Å; R132-E192 PolarHBondContact NH1-OE2 3.32Å; R132-E192 IonicContact NH2-OE1 3.99Å; R132-E192 PolarHBondContact NH2-OE1 3.15Å; R132-E192 IonicContact NH2-OE2 3.87Å; R132-E192 PolarHBondContact NH2-OE2 3.34Å; N140-E192 PolarHBondContact ND2-OE1 3.42Å; L190-E192 WeakPolarHBondContact CD2-OE1 3.2Å
193K95Very high95.2Very high63 Ų6344.2 Ų44.227%0.27422%0.217SC..THydrogen-bonded Turntrans-94.84178-60.1-177.6-179.3-66.50113.5M191 F199 E204 V244 G245 Y248M191-K193 PolarHBondContact O-N 3.31Å; M191-K193 VanDerWaalsContact O-N 3.13Å; K193-F199 HydrophobicContact CB-CD2 4.18Å; K193-F199 HydrophobicContact CD-CD2 4.01Å; K193-F199 HydrophobicContact CD-CE2 3.86Å; K193-E204 WeakPolarHBondContact CE-OE1 3.31Å; K193-E204 IonicContact NZ-OE1 3.62Å; K193-E204 PolarHBondContact NZ-OE1 3.06Å; K193-E204 IonicContact NZ-OE2 3.8Å; K193-E204 PolarHBondContact NZ-OE2 2.83Å; K193-V244 WeakPolarHBondContact CA-O 2.86Å; K193-V244 HydrophobicContact CB-CB 3.91Å; K193-V244 HydrophobicContact CB-CG1 4.04Å; K193-V244 WeakPolarHBondContact CB-O 3.42Å; K193-V244 HydrophobicContact CD-CG1 3.9Å; K193-V244 PolarHBondContact N-O 3.44Å; K193-G245 WeakPolarHBondContact CD-O 3.25Å; K193-Y248 HydrophobicContact CD-CD1 4.08Å; K193-Y248 HydrophobicContact CD-CE1 4.24Å
194G95.8Very high95.4Very high22 Ų2245.5 Ų45.523%0.22722%0.219CC..  trans71.3-151.3176.700000113.1M191 L243 V244M191-G194 PolarHBondContact O-N 3.1Å; G194-L243 CarbonylContact O-C 3.59Å; G194-L243 WeakPolarHBondContact O-CA 3.29Å; G194-V244 PolarHBondContact O-N 2.45Å
195S97.8Very high95.7Very high24 Ų2442.3 Ų42.317%0.16821%0.207CC..BIsolated β-bridgetrans-72.8147.5178.566.90000112.3L197 Q198 F199 R240 V242S195-L197 PolarHBondContact O-N 2.99Å; S195-Q198 PolarHBondContact O-N 2.79Å; S195-Q198 WeakPolarHBondContact OG-CB 3.46Å; S195-Q198 PolarHBondContact OG-N 3.34Å; S195-F199 WeakPolarHBondContact O-CB 3.44Å; S195-F199 PolarHBondContact O-N 2.83Å; S195-R240 WeakPolarHBondContact CB-O 3.36Å; S195-V242 CarbonylContact C-O 3.6Å; S195-V242 WeakPolarHBondContact CA-O 3.33Å
196L98.6Very high95.9Very high0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-56.4-37.1174.618062.6000110.9Q198 F199 L200 M216 A239 V242 V244 L300 I304L196-Q198 PolarHBondContact O-N 2.93Å; L196-F199 HydrophobicContact CD1-CD1 4.12Å; L196-F199 PolarHBondContact O-N 3.28Å; L196-L200 HydrophobicContact CD1-CD1 4.14Å; L196-L200 HydrophobicContact CD1-CD2 4.34Å; L196-L200 HydrophobicContact CD1-CG 3.93Å; L196-L200 HydrophobicContact CG-CD1 3.86Å; L196-L200 HydrophobicContact CG-CG 4.15Å; L196-L200 VanDerWaalsContact O-CB 3.31Å; L196-L200 WeakPolarHBondContact O-CB 3.37Å; L196-L200 WeakPolarHBondContact O-CG 3.37Å; L196-L200 PolarHBondContact O-N 2.93Å; L196-M216 HydrophobicContact CD1-SD 3.93Å; L196-A239 WeakPolarHBondContact CB-O 3.44Å; L196-A239 PolarHBondContact N-O 3.05Å; L196-V242 HydrophobicContact CB-CB 3.87Å; L196-V242 HydrophobicContact CB-CG1 4.01Å; L196-V242 HydrophobicContact CD2-CB 4.02Å; L196-V242 HydrophobicContact CD2-CG1 3.9Å; L196-V242 PolarHBondContact N-O 2.63Å; L196-V244 HydrophobicContact CB-CG2 3.88Å; L196-V244 HydrophobicContact CD1-CG2 3.77Å; L196-V244 HydrophobicContact CG-CG2 4.45Å; L196-L300 HydrophobicContact CD2-CD1 4.22Å; L196-I304 HydrophobicContact CD2-CD1 4.05Å; L196-I304 HydrophobicContact CD2-CG1 3.97Å
197L98.3Very high95.9Very high30 Ų3051.3 Ų51.316%0.15725%0.253CS..Hα-helixtrans-59.1-46.7174.3-178.562.7000112.6S195 R201 A239 R240S195-L197 PolarHBondContact O-N 2.99Å; L197-R201 WeakPolarHBondContact O-CG 3.32Å; L197-R201 PolarHBondContact O-N 2.97Å; L197-A239 HydrophobicContact CB-CB 3.92Å; L197-A239 HydrophobicContact CD1-CB 4.41Å; L197-A239 PolarHBondContact N-O 3.43Å; L197-R240 HydrophobicContact CD2-CB 4.13Å
198Q97.8Very high95.9Very high130 Ų13052.2 Ų52.261%0.60726%0.258SS*.Hα-helixtrans-68.7-41.9177.9-178.5178.30.700111S195 L196 R201 G202S195-Q198 PolarHBondContact O-N 2.79Å; S195-Q198 WeakPolarHBondContact OG-CB 3.46Å; S195-Q198 PolarHBondContact OG-N 3.34Å; L196-Q198 PolarHBondContact O-N 2.93Å; Q198-R201 PolarHBondContact O-N 3.13Å; Q198-G202 PolarHBondContact O-N 2.99Å
199F98.5Very high95.7Very high11 Ų1155.7 Ų55.75%0.04828%0.275CS..Hα-helixtrans-57.5-53.1177.3172.7-95.7000111.5K193 S195 L196 R201 G202 E204 G205 Q208 M216 V244 Y248K193-F199 HydrophobicContact CB-CD2 4.18Å; K193-F199 HydrophobicContact CD-CD2 4.01Å; K193-F199 HydrophobicContact CD-CE2 3.86Å; S195-F199 WeakPolarHBondContact O-CB 3.44Å; S195-F199 PolarHBondContact O-N 2.83Å; L196-F199 HydrophobicContact CD1-CD1 4.12Å; L196-F199 PolarHBondContact O-N 3.28Å; F199-R201 VanDerWaalsContact C-N 3.27Å; F199-R201 PolarHBondContact O-N 3Å; F199-G202 WeakPolarHBondContact O-CA 3.49Å; F199-G202 PolarHBondContact O-N 2.72Å; F199-E204 HydrophobicContact CE2-CB 4.07Å; F199-E204 HydrophobicContact CE2-CG 3.75Å; F199-E204 HydrophobicContact CZ-CG 4.18Å; F199-G205 VanDerWaalsContact O-CA 3.25Å; F199-G205 WeakPolarHBondContact O-CA 3.38Å; F199-G205 PolarHBondContact O-N 2.92Å; F199-Q208 HydrophobicContact CE1-CG 4.03Å; F199-Q208 HydrophobicContact CZ-CG 4.03Å; F199-M216 HydrophobicContact CD1-CE 4.37Å; F199-M216 HydrophobicContact CD1-SD 4.47Å; F199-M216 HydrophobicContact CE1-CE 3.42Å; F199-M216 VanDerWaalsContact CE1-CE 3.42Å; F199-M216 HydrophobicContact CE1-SD 3.96Å; F199-M216 HydrophobicContact CZ-CE 3.84Å; F199-V244 HydrophobicContact CB-CG2 4.12Å; F199-V244 HydrophobicContact CD1-CG2 4.43Å; F199-V244 HydrophobicContact CD2-CG1 4.42Å; F199-V244 HydrophobicContact CG-CG1 4.45Å; F199-V244 HydrophobicContact CG-CG2 4.23Å; F199-Y248 HydrophobicContact CE1-CD1 4.5Å; F199-Y248 AromaticContact CE2-CD1 3.83Å; F199-Y248 HydrophobicContact CE2-CD1 3.83Å; F199-Y248 AromaticContact CE2-CE1 3.65Å; F199-Y248 HydrophobicContact CE2-CE1 3.65Å; F199-Y248 AromaticContact CZ-CD1 3.56Å; F199-Y248 HydrophobicContact CZ-CD1 3.56Å; F199-Y248 AromaticContact CZ-CE1 3.5Å; F199-Y248 HydrophobicContact CZ-CE1 3.5Å; F199-Y248 VanDerWaalsContact CZ-CE1 3.5Å
200L98.4Very high95.7Very high0 Ų056 Ų560%028%0.283CS..Hα-helixtrans-57.5-38.4-180-73.3169.6000112.6L196 G202 Q206 L213 I304L196-L200 HydrophobicContact CD1-CD1 4.14Å; L196-L200 HydrophobicContact CD1-CD2 4.34Å; L196-L200 HydrophobicContact CD1-CG 3.93Å; L196-L200 HydrophobicContact CG-CD1 3.86Å; L196-L200 HydrophobicContact CG-CG 4.15Å; L196-L200 VanDerWaalsContact O-CB 3.31Å; L196-L200 WeakPolarHBondContact O-CB 3.37Å; L196-L200 WeakPolarHBondContact O-CG 3.37Å; L196-L200 PolarHBondContact O-N 2.93Å; L200-G202 VanDerWaalsContact C-N 3.33Å; L200-Q206 PolarHBondContact O-NE2 3.01Å; L200-L213 HydrophobicContact CD2-CD2 3.52Å; L200-I304 HydrophobicContact CD1-CG1 4.28Å
201R98.2Very high95.4Very high134 Ų13456.1 Ų56.151%0.50629%0.287SS..Hα-helixtrans-77.7-18.6177.2-70.1176.5174.91760.2113.3L197 Q198 F199 G308L197-R201 WeakPolarHBondContact O-CG 3.32Å; L197-R201 PolarHBondContact O-N 2.97Å; Q198-R201 PolarHBondContact O-N 3.13Å; F199-R201 VanDerWaalsContact C-N 3.27Å; F199-R201 PolarHBondContact O-N 3Å; R201-G308 VanDerWaalsContact CZ-O 3.24Å; R201-G308 PolarHBondContact NE-O 3.08Å; R201-G308 PolarHBondContact NH2-O 3.39Å
202G97.8Very high95.3Very high29 Ų2957 Ų5730%0.29930%0.295SS..SBendtrans-77.6164.3178.500000112.8Q198 F199 L200 E204 G205 Q206Q198-G202 PolarHBondContact O-N 2.99Å; F199-G202 WeakPolarHBondContact O-CA 3.49Å; F199-G202 PolarHBondContact O-N 2.72Å; L200-G202 VanDerWaalsContact C-N 3.33Å; G202-E204 PolarHBondContact O-N 3.4Å; G202-G205 PolarHBondContact O-N 2.94Å; G202-G205 VanDerWaalsContact O-N 3.14Å; G202-Q206 VanDerWaalsContact O-CG 3.31Å; G202-Q206 WeakPolarHBondContact O-CG 3.38Å; G202-Q206 PolarHBondContact O-N 2.73Å
203K96.7Very high95.5Very high178 Ų17853.5 Ų53.577%0.77428%0.279SS*.Hα-helixtrans-54.2-40.7-179.3-176.1179.9178.8-1770112.9N207K203-N207 VanDerWaalsContact O-CG 3.26Å; K203-N207 PolarHBondContact O-N 2.82Å; K203-N207 PolarHBondContact O-ND2 3.37Å
204E95.1Very high95.5Very high75 Ų7550.5 Ų50.535%0.3527%0.266SS..Hα-helixtrans-68.3-42.6179.6-170.9176.1-163.200112.1K193 F199 G202 N207 Q208 Y248K193-E204 WeakPolarHBondContact CE-OE1 3.31Å; K193-E204 IonicContact NZ-OE1 3.62Å; K193-E204 PolarHBondContact NZ-OE1 3.06Å; K193-E204 IonicContact NZ-OE2 3.8Å; K193-E204 PolarHBondContact NZ-OE2 2.83Å; F199-E204 HydrophobicContact CE2-CB 4.07Å; F199-E204 HydrophobicContact CE2-CG 3.75Å; F199-E204 HydrophobicContact CZ-CG 4.18Å; G202-E204 PolarHBondContact O-N 3.4Å; E204-N207 PolarHBondContact O-N 3.44Å; E204-Q208 PolarHBondContact O-NE2 2.9Å; E204-Y248 HydrophobicContact CG-CE1 4.01Å; E204-Y248 WeakPolarHBondContact OE1-CE1 3.46Å; E204-Y248 PolarHBondContact OE1-OH 3.18Å
205G95.8Very high95.5Very high0 Ų052.7 Ų52.70%027%0.272CS..Hα-helixtrans-64.7-41.4175.300000112.9F199 G202 N207 Q208 Y307F199-G205 VanDerWaalsContact O-CA 3.25Å; F199-G205 WeakPolarHBondContact O-CA 3.38Å; F199-G205 PolarHBondContact O-N 2.92Å; G202-G205 PolarHBondContact O-N 2.94Å; G202-G205 VanDerWaalsContact O-N 3.14Å; G205-N207 PolarHBondContact O-N 2.91Å; G205-Q208 WeakPolarHBondContact O-CB 3.48Å; G205-Q208 WeakPolarHBondContact O-CG 3.3Å; G205-Q208 PolarHBondContact O-N 3.05Å; G205-Q208 VanDerWaalsContact O-N 3.08Å; G205-Y307 VanDerWaalsContact O-CD1 3.32Å; G205-Y307 WeakPolarHBondContact O-CD1 3.36Å; G205-Y307 VanDerWaalsContact O-CE1 3.23Å; G205-Y307 WeakPolarHBondContact O-CE1 3.45Å
206Q96Very high95.5Very high99 Ų9951.6 Ų51.646%0.46327%0.265SS..Hα-helixtrans-63.7-19.2176.7-67.5-67.1-48.900113.7L200 G202L200-Q206 PolarHBondContact O-NE2 3.01Å; G202-Q206 VanDerWaalsContact O-CG 3.31Å; G202-Q206 WeakPolarHBondContact O-CG 3.38Å; G202-Q206 PolarHBondContact O-N 2.73Å
207N93.9Very high95.5Very high120 Ų12051.6 Ų51.664%0.64227%0.265SS*.THydrogen-bonded Turntrans-93.1-3.6177.6-71.1-16.8000113.3K203 E204 G205K203-N207 VanDerWaalsContact O-CG 3.26Å; K203-N207 PolarHBondContact O-N 2.82Å; K203-N207 PolarHBondContact O-ND2 3.37Å; E204-N207 PolarHBondContact O-N 3.44Å; G205-N207 PolarHBondContact O-N 2.91Å
208Q93.5Very high95.5Very high19 Ų1950.9 Ų50.99%0.08926%0.261CS..  trans-70.9143.2177.8-59.1-56.3-54.500110.5F199 E204 G205 L213 M216 Y248 Y307F199-Q208 HydrophobicContact CE1-CG 4.03Å; F199-Q208 HydrophobicContact CZ-CG 4.03Å; E204-Q208 PolarHBondContact O-NE2 2.9Å; G205-Q208 WeakPolarHBondContact O-CB 3.48Å; G205-Q208 WeakPolarHBondContact O-CG 3.3Å; G205-Q208 PolarHBondContact O-N 3.05Å; G205-Q208 VanDerWaalsContact O-N 3.08Å; Q208-L213 HydrophobicContact CB-CD2 4.07Å; Q208-L213 HydrophobicContact CB-CG 4.3Å; Q208-M216 HydrophobicContact CG-CE 4.27Å; Q208-Y248 PolarHBondContact NE2-OH 2.95Å; Q208-Y307 PolarHBondContact O-OH 3.17Å
209D91.3Very high95.5Very high92 Ų9245.8 Ų45.849%0.49224%0.237SC..  trans-88172.5173.166.94000111.6A211 S212 L213D209-A211 VanDerWaalsContact C-N 3.27Å; D209-A211 PolarHBondContact O-N 3.16Å; D209-A211 PolarHBondContact OD1-N 3.14Å; D209-S212 PolarHBondContact O-N 3.1Å; D209-S212 WeakPolarHBondContact OD1-CB 3.42Å; D209-S212 PolarHBondContact OD1-N 2.96Å; D209-S212 PolarHBondContact OD1-OG 3.34Å; D209-L213 WeakPolarHBondContact O-CG 3.46Å; D209-L213 PolarHBondContact O-N 3Å; D209-L213 VanDerWaalsContact O-N 3.08Å
210A90.4Very high95.5Very high36 Ų3645.2 Ų45.230%0.29824%0.235SC..Hα-helixtrans-60.4-37.5-178.600000112.3L213 I214A210-L213 PolarHBondContact O-N 3.08Å; A210-I214 WeakPolarHBondContact O-CB 3.36Å; A210-I214 VanDerWaalsContact O-CD1 3.31Å; A210-I214 WeakPolarHBondContact O-CD1 3.22Å; A210-I214 WeakPolarHBondContact O-CG1 3.43Å; A210-I214 PolarHBondContact O-N 3.44Å
211A89.1Confident95.6Very high27 Ų2745.2 Ų45.222%0.22324%0.235CC..Hα-helixtrans-61.6-46.3177.600000111.5D209 L213 I214 D215D209-A211 VanDerWaalsContact C-N 3.27Å; D209-A211 PolarHBondContact O-N 3.16Å; D209-A211 PolarHBondContact OD1-N 3.14Å; A211-L213 VanDerWaalsContact C-N 3.35Å; A211-L213 PolarHBondContact O-N 3.35Å; A211-I214 PolarHBondContact O-N 2.77Å; A211-D215 PolarHBondContact O-N 3.28Å
212S92.1Very high95.6Very high32 Ų3240.7 Ų40.722%0.22422%0.221CC..Hα-helixtrans-63.8-39.4177.9-54.10000112D209 D215 M216D209-S212 PolarHBondContact O-N 3.1Å; D209-S212 WeakPolarHBondContact OD1-CB 3.42Å; D209-S212 PolarHBondContact OD1-N 2.96Å; D209-S212 PolarHBondContact OD1-OG 3.34Å; S212-D215 WeakPolarHBondContact O-CB 3.43Å; S212-D215 PolarHBondContact O-N 2.88Å; S212-M216 WeakPolarHBondContact O-CG 3.36Å; S212-M216 PolarHBondContact O-N 3.11Å
213L96.1Very high95.6Very high2 Ų239.3 Ų39.31%0.0121%0.207CC..Hα-helixtrans-65.4-38.3175-67.5-179000112.8L200 Q208 D209 A210 A211 D215 M216 A217 I304 M305 Y307L200-L213 HydrophobicContact CD2-CD2 3.52Å; Q208-L213 HydrophobicContact CB-CD2 4.07Å; Q208-L213 HydrophobicContact CB-CG 4.3Å; D209-L213 WeakPolarHBondContact O-CG 3.46Å; D209-L213 PolarHBondContact O-N 3Å; D209-L213 VanDerWaalsContact O-N 3.08Å; A210-L213 PolarHBondContact O-N 3.08Å; A211-L213 VanDerWaalsContact C-N 3.35Å; A211-L213 PolarHBondContact O-N 3.35Å; L213-D215 VanDerWaalsContact C-N 3.35Å; L213-M216 HydrophobicContact CD2-SD 4.44Å; L213-A217 PolarHBondContact O-N 3.19Å; L213-A217 VanDerWaalsContact O-N 3.1Å; L213-I304 HydrophobicContact CB-CG2 3.74Å; L213-I304 HydrophobicContact CD2-CG2 4.1Å; L213-I304 HydrophobicContact CG-CG2 4.36Å; L213-I304 WeakPolarHBondContact O-CG2 3.36Å; L213-M305 HydrophobicContact CB-CE 4.28Å; L213-Y307 HydrophobicContact CD1-CE1 3.87Å; L213-Y307 HydrophobicContact CD1-CE2 4.06Å; L213-Y307 HydrophobicContact CD2-CE1 4.38Å
214I95.2Very high95.7Very high0 Ų030.9 Ų30.90%017%0.17CC..Hα-helixtrans-67.9-38.7175.8-67.9162.6000110.4A210 A211 A217 T218 M305 F340 I341 L366 L373A210-I214 WeakPolarHBondContact O-CB 3.36Å; A210-I214 VanDerWaalsContact O-CD1 3.31Å; A210-I214 WeakPolarHBondContact O-CD1 3.22Å; A210-I214 WeakPolarHBondContact O-CG1 3.43Å; A210-I214 PolarHBondContact O-N 3.44Å; A211-I214 PolarHBondContact O-N 2.77Å; I214-A217 WeakPolarHBondContact O-CB 3.25Å; I214-A217 PolarHBondContact O-N 3.4Å; I214-T218 WeakPolarHBondContact O-CB 3.33Å; I214-T218 PolarHBondContact O-N 2.93Å; I214-T218 PolarHBondContact O-OG1 2.86Å; I214-M305 HydrophobicContact CG1-CE 3.7Å; I214-F340 HydrophobicContact CD1-CE2 4.33Å; I214-F340 HydrophobicContact CD1-CZ 3.66Å; I214-I341 HydrophobicContact CD1-CD1 4.24Å; I214-I341 HydrophobicContact CD1-CG1 4.29Å; I214-I341 HydrophobicContact CG1-CD1 3.9Å; I214-I341 HydrophobicContact CG1-CG1 4.28Å; I214-L366 HydrophobicContact CG2-CB 4.47Å; I214-L366 HydrophobicContact CG2-CD2 4.37Å; I214-L373 HydrophobicContact CD1-CD1 3.32Å
215D94.8Very high95.8Very high68 Ų6827.4 Ų27.436%0.36415%0.154SC..Hα-helixtrans-60.6-48.8175-173.579.4000111.3A211 S212 L213 A217 T218 Q219A211-D215 PolarHBondContact O-N 3.28Å; S212-D215 WeakPolarHBondContact O-CB 3.43Å; S212-D215 PolarHBondContact O-N 2.88Å; L213-D215 VanDerWaalsContact C-N 3.35Å; D215-A217 VanDerWaalsContact C-N 3.28Å; D215-A217 PolarHBondContact O-N 3.42Å; D215-T218 WeakPolarHBondContact O-CA 3.44Å; D215-T218 WeakPolarHBondContact O-CB 3.39Å; D215-T218 PolarHBondContact O-N 2.97Å; D215-Q219 WeakPolarHBondContact O-CG 3.26Å; D215-Q219 PolarHBondContact O-N 3.27Å; D215-Q219 PolarHBondContact OD2-NE2 3.35Å
216M98.2Very high95.8Very high2 Ų229.2 Ų29.21%0.0116%0.161CC..Hα-helixtrans-55.7-42.3173.7-66.8174.1-175.100112.4L196 F199 Q208 S212 L213 T218 V220 Y248L196-M216 HydrophobicContact CD1-SD 3.93Å; F199-M216 HydrophobicContact CD1-CE 4.37Å; F199-M216 HydrophobicContact CD1-SD 4.47Å; F199-M216 HydrophobicContact CE1-CE 3.42Å; F199-M216 VanDerWaalsContact CE1-CE 3.42Å; F199-M216 HydrophobicContact CE1-SD 3.96Å; F199-M216 HydrophobicContact CZ-CE 3.84Å; Q208-M216 HydrophobicContact CG-CE 4.27Å; S212-M216 WeakPolarHBondContact O-CG 3.36Å; S212-M216 PolarHBondContact O-N 3.11Å; L213-M216 HydrophobicContact CD2-SD 4.44Å; M216-T218 VanDerWaalsContact C-N 3.33Å; M216-V220 WeakPolarHBondContact O-CG2 3.43Å; M216-V220 PolarHBondContact O-N 2.67Å; M216-Y248 HydrophobicContact CE-CD1 4.02Å; M216-Y248 HydrophobicContact CE-CG 4.02Å
217A98.5Very high95.8Very high0 Ų024.6 Ų24.60%014%0.139CC..Hα-helixtrans-64.9-36.8175.500000112.7L213 I214 D215 V220 A221 L301 I304 L366L213-A217 PolarHBondContact O-N 3.19Å; L213-A217 VanDerWaalsContact O-N 3.1Å; I214-A217 WeakPolarHBondContact O-CB 3.25Å; I214-A217 PolarHBondContact O-N 3.4Å; D215-A217 VanDerWaalsContact C-N 3.28Å; D215-A217 PolarHBondContact O-N 3.42Å; A217-V220 PolarHBondContact O-N 3.47Å; A217-A221 PolarHBondContact O-N 2.73Å; A217-L301 HydrophobicContact CB-CD2 3.52Å; A217-I304 HydrophobicContact CB-CD1 3.89Å; A217-L366 HydrophobicContact CB-CD1 4.19Å
218T98.3Very high95.8Very high15 Ų1520.9 Ų20.99%0.09212%0.118CC..Hα-helixtrans-66.9-44.3179.2-56.40000110.5I214 D215 M216 V220 A221 D222 R363 L366 E367I214-T218 WeakPolarHBondContact O-CB 3.33Å; I214-T218 PolarHBondContact O-N 2.93Å; I214-T218 PolarHBondContact O-OG1 2.86Å; D215-T218 WeakPolarHBondContact O-CA 3.44Å; D215-T218 WeakPolarHBondContact O-CB 3.39Å; D215-T218 PolarHBondContact O-N 2.97Å; M216-T218 VanDerWaalsContact C-N 3.33Å; T218-V220 VanDerWaalsContact C-N 3.33Å; T218-V220 PolarHBondContact O-N 2.95Å; T218-A221 WeakPolarHBondContact O-CB 2.79Å; T218-A221 PolarHBondContact O-N 3.03Å; T218-A221 VanDerWaalsContact O-N 3.16Å; T218-D222 PolarHBondContact O-N 3.15Å; T218-R363 HydrophobicContact CG2-CG 4.15Å; T218-L366 VanDerWaalsContact OG1-CB 3.3Å; T218-L366 WeakPolarHBondContact OG1-CB 3.47Å; T218-E367 HydrophobicContact CG2-CG 3.6Å
219Q98.3Very high95.9Very high22 Ų2225.9 Ų25.910%0.10314%0.142CC..Hα-helixtrans-57.6-44.1173.9-68.1-17650.700111.9H170 D215 D222 G223 Y248 I249 C250H170-Q219 WeakPolarHBondContact CB-O 3.3Å; H170-Q219 VanDerWaalsContact CE1-CG 3.42Å; H170-Q219 WeakPolarHBondContact CE1-CG 3.4Å; H170-Q219 PolarHBondContact CE1-OE1 2.78Å; H170-Q219 VanDerWaalsContact CG-O 3.31Å; H170-Q219 PolarHBondContact ND1-OE1 3.23Å; D215-Q219 WeakPolarHBondContact O-CG 3.26Å; D215-Q219 PolarHBondContact O-N 3.27Å; D215-Q219 PolarHBondContact OD2-NE2 3.35Å; Q219-D222 PolarHBondContact O-N 3.26Å; Q219-G223 PolarHBondContact O-N 3.1Å; Q219-G223 VanDerWaalsContact O-N 3.08Å; Q219-Y248 PolarHBondContact NE2-O 3.3Å; Q219-I249 VanDerWaalsContact OE1-CA 3.31Å; Q219-C250 HydrophobicContact CB-CB 4.03Å
220V98.8Very high96Very high0 Ų025.3 Ų25.30%014%0.136CC..Hα-helixtrans-65.5-41.7175.5176.90000111.6M216 A217 T218 D222 G223 M224 L237 V242 C250 V252 F297 L300M216-V220 WeakPolarHBondContact O-CG2 3.43Å; M216-V220 PolarHBondContact O-N 2.67Å; A217-V220 PolarHBondContact O-N 3.47Å; T218-V220 VanDerWaalsContact C-N 3.33Å; T218-V220 PolarHBondContact O-N 2.95Å; V220-D222 VanDerWaalsContact C-N 3.28Å; V220-D222 PolarHBondContact O-N 3.47Å; V220-G223 PolarHBondContact O-N 3.39Å; V220-M224 HydrophobicContact CG1-CG 4.24Å; V220-M224 WeakPolarHBondContact O-CB 3.44Å; V220-M224 VanDerWaalsContact O-CG 3.31Å; V220-M224 WeakPolarHBondContact O-CG 3.24Å; V220-M224 PolarHBondContact O-N 3.13Å; V220-L237 HydrophobicContact CG1-CD1 4.18Å; V220-V242 HydrophobicContact CG1-CG2 4.31Å; V220-V242 HydrophobicContact CG2-CB 4.44Å; V220-V242 HydrophobicContact CG2-CG1 3.66Å; V220-V242 HydrophobicContact CG2-CG2 3.9Å; V220-C250 HydrophobicContact CG2-CB 4.18Å; V220-V252 HydrophobicContact CG1-CG2 3.85Å; V220-F297 HydrophobicContact CB-CE2 4.21Å; V220-F297 HydrophobicContact CG1-CD2 4.18Å; V220-F297 HydrophobicContact CG1-CE2 3.99Å; V220-L300 HydrophobicContact CB-CD2 4.25Å; V220-L300 HydrophobicContact CG1-CD2 3.56Å; V220-L300 HydrophobicContact CG2-CD2 4.37Å
221A98.8Very high96Very high0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-61-38.3176.500000111.9A217 T218 M224 S225 F297 R363 L366A217-A221 PolarHBondContact O-N 2.73Å; T218-A221 WeakPolarHBondContact O-CB 2.79Å; T218-A221 PolarHBondContact O-N 3.03Å; T218-A221 VanDerWaalsContact O-N 3.16Å; A221-M224 PolarHBondContact O-N 2.96Å; A221-S225 WeakPolarHBondContact O-CB 3.41Å; A221-S225 PolarHBondContact O-N 3.05Å; A221-F297 HydrophobicContact CB-CE2 4.05Å; A221-F297 HydrophobicContact CB-CZ 3.75Å; A221-R363 HydrophobicContact CB-CB 3.94Å; A221-L366 HydrophobicContact CB-CD1 4.14Å
222D98.4Very high96.2Very high39 Ų3929.5 Ų29.521%0.20914%0.143CC..Hα-helixtrans-66.3-45.9177.2-166.851.8000111.9H168 H170 T218 Q219 V220 M224 S225 Y226 R363H168-D222 IonicContact CE1-OD2 3.81Å; H168-D222 PolarHBondContact CE1-OD2 2.94Å; H168-D222 IonicContact NE2-OD2 3.34Å; H168-D222 PolarHBondContact NE2-OD2 3.14Å; H170-D222 IonicContact CD2-OD2 2.7Å; H170-D222 PolarHBondContact CD2-OD2 2.88Å; T218-D222 PolarHBondContact O-N 3.15Å; Q219-D222 PolarHBondContact O-N 3.26Å; V220-D222 VanDerWaalsContact C-N 3.28Å; V220-D222 PolarHBondContact O-N 3.47Å; D222-M224 VanDerWaalsContact C-N 3.33Å; D222-M224 PolarHBondContact O-N 3.41Å; D222-S225 WeakPolarHBondContact O-CB 3.49Å; D222-S225 PolarHBondContact O-N 2.96Å; D222-S225 VanDerWaalsContact O-N 3.16Å; D222-Y226 PolarHBondContact O-N 3.3Å; D222-Y226 VanDerWaalsContact O-N 3.1Å; D222-R363 HydrophobicContact CB-CG 4.27Å; D222-R363 WeakPolarHBondContact OD1-CD 3.33Å; D222-R363 IonicContact OD1-CZ 2.79Å; D222-R363 IonicContact OD1-NE 3.36Å; D222-R363 IonicContact OD1-NH1 3.48Å; D222-R363 PolarHBondContact OD1-NH1 3.36Å
223G97.9Very high96.2Very high0 Ų028.1 Ų28.10%013%0.133CC..Hα-helixtrans-59-41.5172.300000113.3Q219 V220 Y226 L227Q219-G223 PolarHBondContact O-N 3.1Å; Q219-G223 VanDerWaalsContact O-N 3.08Å; V220-G223 PolarHBondContact O-N 3.39Å; G223-Y226 PolarHBondContact O-N 3.09Å; G223-L227 PolarHBondContact O-N 3.06Å; G223-L227 VanDerWaalsContact O-N 3.16Å
224M98.5Very high96.2Very high0 Ų028 Ų280%013%0.132CC..Hα-helixtrans-71.6-29.2176.8-68.2-60.5-52.700113.1V220 A221 D222 Y226 L227 E228 H234 L237 V252 I290 D293 F359V220-M224 HydrophobicContact CG1-CG 4.24Å; V220-M224 WeakPolarHBondContact O-CB 3.44Å; V220-M224 VanDerWaalsContact O-CG 3.31Å; V220-M224 WeakPolarHBondContact O-CG 3.24Å; V220-M224 PolarHBondContact O-N 3.13Å; A221-M224 PolarHBondContact O-N 2.96Å; D222-M224 VanDerWaalsContact C-N 3.33Å; D222-M224 PolarHBondContact O-N 3.41Å; M224-Y226 VanDerWaalsContact C-N 3.34Å; M224-L227 HydrophobicContact CE-CD1 4.02Å; M224-L227 PolarHBondContact O-N 3.18Å; M224-L227 HydrophobicContact SD-CD1 3.57Å; M224-L227 VanDerWaalsContact SD-CD1 3.57Å; M224-E228 PolarHBondContact O-N 3.39Å; M224-H234 HydrophobicContact CE-CB 3.99Å; M224-H234 HydrophobicContact SD-CB 4.4Å; M224-L237 HydrophobicContact CE-CD2 4.09Å; M224-L237 HydrophobicContact CG-CD1 4.4Å; M224-L237 HydrophobicContact CG-CD2 3.92Å; M224-L237 HydrophobicContact SD-CD1 3.95Å; M224-L237 HydrophobicContact SD-CD2 3.92Å; M224-L237 HydrophobicContact SD-CG 4.46Å; M224-V252 HydrophobicContact CG-CG2 4.4Å; M224-V252 HydrophobicContact SD-CG1 4.21Å; M224-V252 HydrophobicContact SD-CG2 4.29Å; M224-I290 HydrophobicContact CE-CD1 4.49Å; M224-D293 HydrophobicContact CE-CB 3.85Å; M224-F359 HydrophobicContact CB-CB 4.3Å; M224-F359 HydrophobicContact CB-CD1 3.34Å; M224-F359 HydrophobicContact CB-CD2 3.84Å; M224-F359 HydrophobicContact CB-CE1 3.4Å; M224-F359 HydrophobicContact CB-CE2 3.89Å; M224-F359 HydrophobicContact CB-CG 3.56Å; M224-F359 HydrophobicContact CB-CZ 3.68Å; M224-F359 HydrophobicContact CE-CE1 4.47Å; M224-F359 HydrophobicContact CE-CE2 3.7Å; M224-F359 HydrophobicContact CE-CZ 3.68Å; M224-F359 HydrophobicContact CG-CD1 4.23Å; M224-F359 HydrophobicContact CG-CE1 3.8Å; M224-F359 HydrophobicContact CG-CZ 3.97Å
225S98.2Very high96.2Very high2 Ų228.3 Ų28.31%0.01413%0.133CC..Hα-helixtrans-63.3-42.1171.8-171.90000110.7A221 D222 E228 E229A221-S225 WeakPolarHBondContact O-CB 3.41Å; A221-S225 PolarHBondContact O-N 3.05Å; D222-S225 WeakPolarHBondContact O-CB 3.49Å; D222-S225 PolarHBondContact O-N 2.96Å; D222-S225 VanDerWaalsContact O-N 3.16Å; S225-E228 WeakPolarHBondContact O-CB 3.15Å; S225-E228 PolarHBondContact O-N 3.19Å; S225-E229 WeakPolarHBondContact O-CG 3.49Å; S225-E229 PolarHBondContact O-N 3.35Å; S225-E229 VanDerWaalsContact O-N 3.1Å
226Y96.6Very high96.1Very high39 Ų3926.1 Ų26.115%0.15312%0.122CC..Hα-helixtrans-62.2-43.1172.9176.1-90.8000112L166 H167 H168 L171 D222 G223 M224 E228 E229 Q230L166-Y226 HydrophobicContact CB-CE1 4.26Å; L166-Y226 HydrophobicContact CD2-CD1 4.39Å; L166-Y226 HydrophobicContact CD2-CE1 3.78Å; H167-Y226 PolarHBondContact N-OH 3.22Å; H167-Y226 VanDerWaalsContact N-OH 3.08Å; H167-Y226 PolarHBondContact O-OH 3.5Å; H168-Y226 HydrophobicContact CB-CD1 3.84Å; H168-Y226 HydrophobicContact CB-CD2 4.26Å; H168-Y226 HydrophobicContact CB-CE1 4.13Å; H168-Y226 HydrophobicContact CB-CG 3.87Å; H168-Y226 AromaticContact CD2-CD2 3.8Å; H168-Y226 AromaticContact CD2-CG 3.76Å; H168-Y226 AromaticContact CG-CG 3.91Å; L171-Y226 HydrophobicContact CD1-CD1 3.47Å; L171-Y226 VanDerWaalsContact CD1-CD1 3.47Å; L171-Y226 HydrophobicContact CD1-CE1 3.94Å; L171-Y226 HydrophobicContact CD1-CG 4.46Å; D222-Y226 PolarHBondContact O-N 3.3Å; D222-Y226 VanDerWaalsContact O-N 3.1Å; G223-Y226 PolarHBondContact O-N 3.09Å; M224-Y226 VanDerWaalsContact C-N 3.34Å; Y226-E228 VanDerWaalsContact C-N 3.31Å; Y226-E228 PolarHBondContact O-N 3.46Å; Y226-E229 WeakPolarHBondContact O-CB 3.44Å; Y226-E229 PolarHBondContact O-N 2.67Å; Y226-Q230 HydrophobicContact CD1-CG 3.96Å; Y226-Q230 HydrophobicContact CE1-CG 3.53Å; Y226-Q230 HydrophobicContact CE2-CG 4.18Å; Y226-Q230 HydrophobicContact CG-CG 4.48Å; Y226-Q230 WeakPolarHBondContact O-CG 3.47Å; Y226-Q230 PolarHBondContact O-N 2.81Å
227L94.8Very high96.1Very high1 Ų126 Ų261%0.00512%0.121CC..Hα-helixtrans-59.6-40.2175.4-77.8167.7000112.8L166 L171 G223 M224 Q230 K231 S232 F255L166-L227 HydrophobicContact CD1-CD2 3.53Å; L166-L227 HydrophobicContact CD2-CD2 3.66Å; L166-L227 HydrophobicContact CG-CD2 4.24Å; L171-L227 HydrophobicContact CD1-CD2 4.24Å; L171-L227 HydrophobicContact CD1-CG 3.99Å; L171-L227 HydrophobicContact CD2-CD1 3.95Å; L171-L227 HydrophobicContact CD2-CG 4.24Å; G223-L227 PolarHBondContact O-N 3.06Å; G223-L227 VanDerWaalsContact O-N 3.16Å; M224-L227 HydrophobicContact CE-CD1 4.02Å; M224-L227 PolarHBondContact O-N 3.18Å; M224-L227 HydrophobicContact SD-CD1 3.57Å; M224-L227 VanDerWaalsContact SD-CD1 3.57Å; L227-Q230 CarbonylContact O-C 3.55Å; L227-Q230 PolarHBondContact O-N 3.45Å; L227-K231 PolarHBondContact O-N 3.32Å; L227-S232 PolarHBondContact O-N 3.47Å; L227-F255 HydrophobicContact CD1-CE1 3.93Å; L227-F255 HydrophobicContact CD2-CE1 3.99Å
228E95.1Very high96.1Very high42 Ų4226 Ų2620%0.19612%0.121CC..Hα-helixtrans-58.1-46.5174.1-179.6165-127.600111.2M224 S225 Y226 Q230 K231 I290 T358 F359M224-E228 PolarHBondContact O-N 3.39Å; S225-E228 WeakPolarHBondContact O-CB 3.15Å; S225-E228 PolarHBondContact O-N 3.19Å; Y226-E228 VanDerWaalsContact C-N 3.31Å; Y226-E228 PolarHBondContact O-N 3.46Å; E228-Q230 VanDerWaalsContact C-N 3.32Å; E228-Q230 PolarHBondContact O-N 2.91Å; E228-K231 PolarHBondContact O-N 3.05Å; E228-I290 HydrophobicContact CB-CD1 3.87Å; E228-I290 HydrophobicContact CB-CG1 3.77Å; E228-I290 HydrophobicContact CG-CD1 4.45Å; E228-I290 HydrophobicContact CG-CG1 3.79Å; E228-I290 HydrophobicContact CG-CG2 4.48Å; E228-T358 WeakPolarHBondContact OE2-CB 3.48Å; E228-F359 PolarHBondContact OE2-N 3.1Å
229E94.6Very high96.1Very high125 Ų12525.3 Ų25.358%0.58412%0.117SC*.Hα-helixtrans-62.8-37.3176-68.9174.5-175.900112.6S225 Y226 K231S225-E229 WeakPolarHBondContact O-CG 3.49Å; S225-E229 PolarHBondContact O-N 3.35Å; S225-E229 VanDerWaalsContact O-N 3.1Å; Y226-E229 WeakPolarHBondContact O-CB 3.44Å; Y226-E229 PolarHBondContact O-N 2.67Å; E229-K231 PolarHBondContact O-N 3.28Å
230Q92.9Very high96Very high80 Ų8027.9 Ų27.937%0.37413%0.125SC..THydrogen-bonded Turntrans-77.96.8174.8-60.3-46.6-56.700113.7L166 Y226 L227 E228 S232L166-Q230 HydrophobicContact CD2-CB 4.25Å; L166-Q230 HydrophobicContact CD2-CG 4.16Å; Y226-Q230 HydrophobicContact CD1-CG 3.96Å; Y226-Q230 HydrophobicContact CE1-CG 3.53Å; Y226-Q230 HydrophobicContact CE2-CG 4.18Å; Y226-Q230 HydrophobicContact CG-CG 4.48Å; Y226-Q230 WeakPolarHBondContact O-CG 3.47Å; Y226-Q230 PolarHBondContact O-N 2.81Å; L227-Q230 CarbonylContact O-C 3.55Å; L227-Q230 PolarHBondContact O-N 3.45Å; E228-Q230 VanDerWaalsContact C-N 3.32Å; E228-Q230 PolarHBondContact O-N 2.91Å; Q230-S232 PolarHBondContact O-N 3.13Å; Q230-S232 VanDerWaalsContact O-N 3.15Å; Q230-S232 PolarHBondContact O-OG 3.18Å
231K91.5Very high96Very high149 Ų14928.5 Ų28.565%0.64813%0.129SC*.THydrogen-bonded Turntrans50.838.6-177.3-55.9-178.8-179179.50112.3L227 E228 E229 V261L227-K231 PolarHBondContact O-N 3.32Å; E228-K231 PolarHBondContact O-N 3.05Å; E229-K231 PolarHBondContact O-N 3.28Å; K231-V261 PolarHBondContact O-N 3.1Å
232S92.3Very high96Very high2 Ų228.5 Ų28.51%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-110135.9-178.9-64.50000110L227 Q230 R259 L260L227-S232 PolarHBondContact O-N 3.47Å; Q230-S232 PolarHBondContact O-N 3.13Å; Q230-S232 VanDerWaalsContact O-N 3.15Å; Q230-S232 PolarHBondContact O-OG 3.18Å; S232-R259 WeakPolarHBondContact CA-O 3.39Å; S232-L260 VanDerWaalsContact OG-CD2 3.26Å; S232-L260 WeakPolarHBondContact OG-CD2 3.29Å
233I93.8Very high96Very high3 Ų328.6 Ų28.62%0.01513%0.129CC..EExtended strand (participates in β ladder)trans-108.3138.4173.459.9174.4000109.9R235 A258 R259 V261 Y266 F288 S289 D293I233-R235 HydrophobicContact CB-CG 4.4Å; I233-R235 HydrophobicContact CD1-CG 3.75Å; I233-R235 HydrophobicContact CG1-CG 3.92Å; I233-A258 CarbonylContact O-C 3.52Å; I233-A258 WeakPolarHBondContact O-CA 3.42Å; I233-A258 VanDerWaalsContact O-CB 3.31Å; I233-A258 WeakPolarHBondContact O-CB 3.44Å; I233-R259 HydrophobicContact CD1-CB 4.26Å; I233-R259 HydrophobicContact CG1-CB 3.98Å; I233-R259 WeakPolarHBondContact CG1-O 3.46Å; I233-R259 PolarHBondContact N-O 3.47Å; I233-R259 PolarHBondContact O-N 3.05Å; I233-V261 HydrophobicContact CB-CG2 4.23Å; I233-V261 HydrophobicContact CD1-CG2 3.57Å; I233-V261 HydrophobicContact CG1-CG2 3.55Å; I233-V261 HydrophobicContact CG2-CG2 3.75Å; I233-Y266 HydrophobicContact CD1-CD1 4.3Å; I233-Y266 HydrophobicContact CD1-CG 4.42Å; I233-F288 HydrophobicContact CD1-CB 3.71Å; I233-S289 VanDerWaalsContact CG2-C 3.49Å; I233-D293 WeakPolarHBondContact CA-OD2 3.49Å
234H95.1Very high96Very high0 Ų028.6 Ų28.60%013%0.129CC..  trans-83.1-43.4-178.5-168.5-77.5000112M224 D236 L237 V252 A253 F255 D293M224-H234 HydrophobicContact CE-CB 3.99Å; M224-H234 HydrophobicContact SD-CB 4.4Å; H234-D236 PolarHBondContact CE1-O 2.88Å; H234-D236 PolarHBondContact ND1-N 3.3Å; H234-D236 PolarHBondContact ND1-O 3.43Å; H234-D236 PolarHBondContact O-N 3.46Å; H234-L237 PolarHBondContact ND1-N 3.22Å; H234-L237 VanDerWaalsContact ND1-N 3.18Å; H234-V252 VanDerWaalsContact CD2-CG1 3.41Å; H234-V252 WeakPolarHBondContact CD2-CG1 3.48Å; H234-V252 WeakPolarHBondContact NE2-CG1 3.38Å; H234-A253 PolarHBondContact NE2-O 3.16Å; H234-F255 AromaticContact CD2-CE1 3.8Å; H234-D293 PolarHBondContact N-OD2 3.21Å
235R94.1Very high95.6Very high6 Ų628.8 Ų28.82%0.02313%0.131CC..SBendtrans68.6-17.6179.6-60178.449.3-143.52.7116.8I233 L257 S268 E270 F288 D293I233-R235 HydrophobicContact CB-CG 4.4Å; I233-R235 HydrophobicContact CD1-CG 3.75Å; I233-R235 HydrophobicContact CG1-CG 3.92Å; R235-L257 HydrophobicContact CB-CB 4.21Å; R235-L257 VanDerWaalsContact CD-O 3.28Å; R235-L257 WeakPolarHBondContact CD-O 3.33Å; R235-L257 PolarHBondContact NH1-O 3.14Å; R235-S268 PolarHBondContact NH2-OG 3.48Å; R235-E270 IonicContact CZ-OE2 3.73Å; R235-E270 IonicContact NH1-OE2 2.86Å; R235-E270 PolarHBondContact NH1-OE2 2.91Å; R235-E270 IonicContact NH2-OE2 2.7Å; R235-E270 PolarHBondContact NH2-OE2 2.92Å; R235-F288 HydrophobicContact CB-CD1 4.03Å; R235-F288 HydrophobicContact CB-CE1 4.26Å; R235-F288 HydrophobicContact CG-CB 4.03Å; R235-F288 HydrophobicContact CG-CD1 3.69Å; R235-F288 HydrophobicContact CG-CE1 4.36Å; R235-F288 HydrophobicContact CG-CG 3.94Å; R235-D293 PolarHBondContact N-OD1 2.9Å
236D93.9Very high94.9Very high21 Ų2133.7 Ų33.711%0.11215%0.154CC..  trans-134.944.8175.4-164.124.5000113.7H234 A238 R240 N241 L257 P274H234-D236 PolarHBondContact CE1-O 2.88Å; H234-D236 PolarHBondContact ND1-N 3.3Å; H234-D236 PolarHBondContact ND1-O 3.43Å; H234-D236 PolarHBondContact O-N 3.46Å; D236-A238 PolarHBondContact O-N 2.93Å; D236-R240 IonicContact OD1-CZ 2.66Å; D236-R240 IonicContact OD1-NH2 3.49Å; D236-R240 PolarHBondContact OD1-NH2 3.32Å; D236-R240 IonicContact OD2-NE 3.42Å; D236-R240 IonicContact OD2-NH2 2.82Å; D236-N241 PolarHBondContact O-ND2 3.08Å; D236-N241 PolarHBondContact OD2-ND2 3.23Å; D236-L257 HydrophobicContact CB-CD1 4.06Å; D236-P274 WeakPolarHBondContact OD1-CB 3.07Å; D236-P274 VanDerWaalsContact OD1-CG 3.27Å; D236-P274 WeakPolarHBondContact OD1-CG 3.42Å
237L98.2Very high94.3Very high0 Ų033.9 Ų33.90%016%0.157CC..  trans-72.2117178.8-178.965.2000110.4V220 M224 H234 V242 V252 S296 F297 L300 F359V220-L237 HydrophobicContact CG1-CD1 4.18Å; M224-L237 HydrophobicContact CE-CD2 4.09Å; M224-L237 HydrophobicContact CG-CD1 4.4Å; M224-L237 HydrophobicContact CG-CD2 3.92Å; M224-L237 HydrophobicContact SD-CD1 3.95Å; M224-L237 HydrophobicContact SD-CD2 3.92Å; M224-L237 HydrophobicContact SD-CG 4.46Å; H234-L237 PolarHBondContact ND1-N 3.22Å; H234-L237 VanDerWaalsContact ND1-N 3.18Å; L237-V242 HydrophobicContact CD1-CG2 4.46Å; L237-V252 HydrophobicContact CD1-CG1 4.06Å; L237-V252 HydrophobicContact CD1-CG2 4.44Å; L237-S296 WeakPolarHBondContact O-CB 3.38Å; L237-F297 HydrophobicContact CD2-CB 3.86Å; L237-F297 HydrophobicContact CD2-CD2 4.16Å; L237-L300 HydrophobicContact CD1-CD2 4.3Å; L237-L300 HydrophobicContact CG-CD2 4.37Å; L237-F359 HydrophobicContact CD2-CZ 4.26Å
238A98.3Very high94.1Very high0 Ų036.1 Ų36.10%017%0.166CC..SBendtrans-161.1164.2-179.300000110.3D236 R240 N241 V242 W277D236-A238 PolarHBondContact O-N 2.93Å; A238-R240 HydrophobicContact CB-CG 3.97Å; A238-R240 PolarHBondContact O-N 3.3Å; A238-R240 VanDerWaalsContact O-N 3.1Å; A238-N241 CarbonylContact O-C 3.57Å; A238-N241 PolarHBondContact O-N 3.36Å; A238-V242 PolarHBondContact O-N 3.41Å; A238-W277 HydrophobicContact CB-CD2 4.23Å; A238-W277 HydrophobicContact CB-CG 4.04Å
239A98.6Very high94.1Very high0 Ų035.4 Ų35.40%016%0.163CC..G310 helixtrans-61.5-24.6-178.300000113.5L196 L197 N241 L300 E303L196-A239 WeakPolarHBondContact CB-O 3.44Å; L196-A239 PolarHBondContact N-O 3.05Å; L197-A239 HydrophobicContact CB-CB 3.92Å; L197-A239 HydrophobicContact CD1-CB 4.41Å; L197-A239 PolarHBondContact N-O 3.43Å; A239-N241 VanDerWaalsContact C-N 3.26Å; A239-N241 PolarHBondContact O-N 3.08Å; A239-L300 HydrophobicContact CB-CD1 3.74Å; A239-E303 HydrophobicContact CB-CB 4.01Å; A239-E303 HydrophobicContact CB-CG 4.43Å; A239-E303 PolarHBondContact N-OE2 3.45Å
240R96.9Very high94.2Very high76 Ų7629.5 Ų29.529%0.28714%0.136SC..G310 helixtrans-67.7-24.2173.660.2170.5176-74.4-3.6113.7S195 L197 D236 A238S195-R240 WeakPolarHBondContact CB-O 3.36Å; L197-R240 HydrophobicContact CD2-CB 4.13Å; D236-R240 IonicContact OD1-CZ 2.66Å; D236-R240 IonicContact OD1-NH2 3.49Å; D236-R240 PolarHBondContact OD1-NH2 3.32Å; D236-R240 IonicContact OD2-NE 3.42Å; D236-R240 IonicContact OD2-NH2 2.82Å; A238-R240 HydrophobicContact CB-CG 3.97Å; A238-R240 PolarHBondContact O-N 3.3Å; A238-R240 VanDerWaalsContact O-N 3.1Å
241N97.3Very high94.5Very high14 Ų1426 Ų268%0.07512%0.119CC..G310 helixtrans-109.612-175.9-65.3-13.1000111.8D236 A238 A239 A253 D254D236-N241 PolarHBondContact O-ND2 3.08Å; D236-N241 PolarHBondContact OD2-ND2 3.23Å; A238-N241 CarbonylContact O-C 3.57Å; A238-N241 PolarHBondContact O-N 3.36Å; A239-N241 VanDerWaalsContact C-N 3.26Å; A239-N241 PolarHBondContact O-N 3.08Å; N241-A253 PolarHBondContact O-N 3.1Å; N241-D254 HydrophobicContact CB-CB 4.38Å
242V98.6Very high94.8Very high0 Ų019 Ų190%09%0.089CC..EExtended strand (participates in β ladder)trans-105.4132163.2179.20000106.5S195 L196 V220 L237 A238 C250 K251 L300S195-V242 CarbonylContact C-O 3.6Å; S195-V242 WeakPolarHBondContact CA-O 3.33Å; L196-V242 HydrophobicContact CB-CB 3.87Å; L196-V242 HydrophobicContact CB-CG1 4.01Å; L196-V242 HydrophobicContact CD2-CB 4.02Å; L196-V242 HydrophobicContact CD2-CG1 3.9Å; L196-V242 PolarHBondContact N-O 2.63Å; V220-V242 HydrophobicContact CG1-CG2 4.31Å; V220-V242 HydrophobicContact CG2-CB 4.44Å; V220-V242 HydrophobicContact CG2-CG1 3.66Å; V220-V242 HydrophobicContact CG2-CG2 3.9Å; L237-V242 HydrophobicContact CD1-CG2 4.46Å; A238-V242 PolarHBondContact O-N 3.41Å; V242-C250 HydrophobicContact CG1-CB 4.01Å; V242-K251 CarbonylContact C-O 3.49Å; V242-K251 WeakPolarHBondContact CA-O 3.35Å; V242-L300 HydrophobicContact CG2-CD1 4.49Å; V242-L300 HydrophobicContact CG2-CD2 4.2Å
243L98.3Very high94.9Very high41 Ų4119.2 Ų19.222%0.2159%0.091CC..EExtended strand (participates in β ladder)trans-107.3146.7178.5-62.1177.3000110.3I172 M191 G194 C250 K251 A253I172-L243 HydrophobicContact CD1-CD1 3.9Å; I172-L243 HydrophobicContact CG1-CD1 4.44Å; M191-L243 HydrophobicContact CB-CB 3.65Å; M191-L243 HydrophobicContact CB-CD1 4.24Å; M191-L243 HydrophobicContact CB-CG 4.46Å; M191-L243 HydrophobicContact CE-CB 4.15Å; M191-L243 WeakPolarHBondContact CE-O 3.2Å; M191-L243 HydrophobicContact CG-CB 3.56Å; M191-L243 HydrophobicContact CG-CD1 3.87Å; M191-L243 HydrophobicContact CG-CG 4.36Å; G194-L243 CarbonylContact O-C 3.59Å; G194-L243 WeakPolarHBondContact O-CA 3.29Å; L243-C250 WeakPolarHBondContact O-CA 3.27Å; L243-K251 PolarHBondContact N-O 2.87Å; L243-K251 PolarHBondContact O-N 2.78Å; L243-A253 HydrophobicContact CD1-CB 3.61Å; L243-A253 HydrophobicContact CG-CB 3.79Å
244V98.1Very high94.6Very high0 Ų021.9 Ų21.90%011%0.105CC..EExtended strand (participates in β ladder)trans-115.1125.3-177.5-170.30000109.4M191 K193 G194 L196 F199 I249M191-V244 CarbonylContact C-O 3.53Å; K193-V244 WeakPolarHBondContact CA-O 2.86Å; K193-V244 HydrophobicContact CB-CB 3.91Å; K193-V244 HydrophobicContact CB-CG1 4.04Å; K193-V244 WeakPolarHBondContact CB-O 3.42Å; K193-V244 HydrophobicContact CD-CG1 3.9Å; K193-V244 PolarHBondContact N-O 3.44Å; G194-V244 PolarHBondContact O-N 2.45Å; L196-V244 HydrophobicContact CB-CG2 3.88Å; L196-V244 HydrophobicContact CD1-CG2 3.77Å; L196-V244 HydrophobicContact CG-CG2 4.45Å; F199-V244 HydrophobicContact CB-CG2 4.12Å; F199-V244 HydrophobicContact CD1-CG2 4.43Å; F199-V244 HydrophobicContact CD2-CG1 4.42Å; F199-V244 HydrophobicContact CG-CG1 4.45Å; F199-V244 HydrophobicContact CG-CG2 4.23Å; V244-I249 CarbonylContact C-O 3.58Å; V244-I249 WeakPolarHBondContact CA-O 3.38Å
245G90.9Very high94.1Very high3 Ų321.9 Ų21.93%0.03111%0.105CC..  trans-98-165.2-179.200000112.4M191 K193 I249M191-G245 VanDerWaalsContact CE-N 3.26Å; K193-G245 WeakPolarHBondContact CD-O 3.25Å; G245-I249 PolarHBondContact N-O 3.28Å
246E84.2Confident93.2Very high106 Ų10621.6 Ų21.650%0.49510%0.104SC..G310 helixtrans-60.5153.4164.9-65.1-173.4176.700110.3Y248 I249E246-Y248 PolarHBondContact O-N 3.02Å; E246-I249 VanDerWaalsContact O-CG2 3.31Å; E246-I249 WeakPolarHBondContact O-CG2 3.25Å; E246-I249 PolarHBondContact O-N 3.35Å
247D82.5Confident92.4Very high43 Ų4322.1 Ų22.123%0.2311%0.107CC..G310 helixtrans55.324-178.6-60.4-49.7000115F9 N13 I249F9-D247 WeakPolarHBondContact CE1-O 3.26Å; N13-D247 WeakPolarHBondContact CB-OD1 3.33Å; N13-D247 PolarHBondContact ND2-OD1 3.44Å; D247-I249 PolarHBondContact O-N 3.39Å
248Y90.9Very high91.5Very high47 Ų4722.2 Ų22.218%0.18411%0.107CC..G310 helixtrans6023.1179.7-49.3-64000114.9F9 K193 F199 E204 Q208 M216 Q219 E246 C250F9-Y248 AromaticContact CE1-CD2 3.54Å; F9-Y248 HydrophobicContact CE1-CD2 3.54Å; F9-Y248 HydrophobicContact CE1-CE2 4.15Å; F9-Y248 AromaticContact CZ-CD2 3.53Å; F9-Y248 HydrophobicContact CZ-CD2 3.53Å; F9-Y248 AromaticContact CZ-CE2 3.71Å; F9-Y248 HydrophobicContact CZ-CE2 3.71Å; K193-Y248 HydrophobicContact CD-CD1 4.08Å; K193-Y248 HydrophobicContact CD-CE1 4.24Å; F199-Y248 HydrophobicContact CE1-CD1 4.5Å; F199-Y248 AromaticContact CE2-CD1 3.83Å; F199-Y248 HydrophobicContact CE2-CD1 3.83Å; F199-Y248 AromaticContact CE2-CE1 3.65Å; F199-Y248 HydrophobicContact CE2-CE1 3.65Å; F199-Y248 AromaticContact CZ-CD1 3.56Å; F199-Y248 HydrophobicContact CZ-CD1 3.56Å; F199-Y248 AromaticContact CZ-CE1 3.5Å; F199-Y248 HydrophobicContact CZ-CE1 3.5Å; F199-Y248 VanDerWaalsContact CZ-CE1 3.5Å; E204-Y248 HydrophobicContact CG-CE1 4.01Å; E204-Y248 WeakPolarHBondContact OE1-CE1 3.46Å; E204-Y248 PolarHBondContact OE1-OH 3.18Å; Q208-Y248 PolarHBondContact NE2-OH 2.95Å; M216-Y248 HydrophobicContact CE-CD1 4.02Å; M216-Y248 HydrophobicContact CE-CG 4.02Å; Q219-Y248 PolarHBondContact NE2-O 3.3Å; E246-Y248 PolarHBondContact O-N 3.02Å; Y248-C250 PolarHBondContact O-N 3.38Å; Y248-C250 PolarHBondContact O-SG 3.41Å
249I94.4Very high90.8Very high28 Ų2823.2 Ų23.214%0.14411%0.111CC..  trans-61.1124.4171.9-169.1169.7000110.2R169 M191 Q219 V244 G245 E246 D247R169-I249 HydrophobicContact CG-CD1 3.85Å; M191-I249 HydrophobicContact CE-CG2 4.28Å; Q219-I249 VanDerWaalsContact OE1-CA 3.31Å; V244-I249 CarbonylContact C-O 3.58Å; V244-I249 WeakPolarHBondContact CA-O 3.38Å; G245-I249 PolarHBondContact N-O 3.28Å; E246-I249 VanDerWaalsContact O-CG2 3.31Å; E246-I249 WeakPolarHBondContact O-CG2 3.25Å; E246-I249 PolarHBondContact O-N 3.35Å; D247-I249 PolarHBondContact O-N 3.39Å
250C98.2Very high90Very high0 Ų026.6 Ų26.60%013%0.129CC..EExtended strand (participates in β ladder)trans-99.4129.8178.7-67.70000109.8H170 Q219 V220 V242 L243 Y248H170-C250 PolarHBondContact ND1-O 3.37Å; Q219-C250 HydrophobicContact CB-CB 4.03Å; V220-C250 HydrophobicContact CG2-CB 4.18Å; V242-C250 HydrophobicContact CG1-CB 4.01Å; L243-C250 WeakPolarHBondContact O-CA 3.27Å; Y248-C250 PolarHBondContact O-N 3.38Å; Y248-C250 PolarHBondContact O-SG 3.41Å
251K98.3Very high89.3Confident8 Ų824 Ų244%0.03512%0.121CC..EExtended strand (participates in β ladder)trans-128130.8175.4-56.5-168.2-179.2-156.70111.3R169 H170 E189 M191 V242 L243R169-K251 WeakPolarHBondContact O-CD 3.48Å; R169-K251 WeakPolarHBondContact O-CE 3.31Å; R169-K251 WeakPolarHBondContact O-CG 3.41Å; R169-K251 PolarHBondContact O-NZ 3.36Å; H170-K251 CarbonylContact O-C 3.53Å; H170-K251 VanDerWaalsContact O-CA 3.3Å; H170-K251 WeakPolarHBondContact O-CA 3.44Å; E189-K251 VanDerWaalsContact OE1-CD 3.31Å; E189-K251 WeakPolarHBondContact OE1-CD 3.49Å; E189-K251 IonicContact OE1-NZ 2.98Å; E189-K251 PolarHBondContact OE1-NZ 2.81Å; E189-K251 VanDerWaalsContact OE2-CE 3.24Å; E189-K251 WeakPolarHBondContact OE2-CE 3.37Å; E189-K251 IonicContact OE2-NZ 2.91Å; E189-K251 PolarHBondContact OE2-NZ 2.8Å; M191-K251 HydrophobicContact CE-CB 3.88Å; M191-K251 HydrophobicContact CE-CD 3.9Å; M191-K251 HydrophobicContact CE-CG 3.61Å; M191-K251 HydrophobicContact SD-CD 3.98Å; M191-K251 HydrophobicContact SD-CG 4.35Å; V242-K251 CarbonylContact C-O 3.49Å; V242-K251 WeakPolarHBondContact CA-O 3.35Å; L243-K251 PolarHBondContact N-O 2.87Å; L243-K251 PolarHBondContact O-N 2.78Å
252V98.4Very high88.2Confident0 Ų033.5 Ų33.50%016%0.162CC..EExtended strand (participates in β ladder)trans-71.7135.1172.5-173.80000109.1H170 L171 I172 V220 M224 H234 L237 F255H170-V252 PolarHBondContact O-N 3.41Å; L171-V252 HydrophobicContact CD2-CB 3.71Å; L171-V252 HydrophobicContact CD2-CG2 4.12Å; I172-V252 PolarHBondContact N-O 3.18Å; V220-V252 HydrophobicContact CG1-CG2 3.85Å; M224-V252 HydrophobicContact CG-CG2 4.4Å; M224-V252 HydrophobicContact SD-CG1 4.21Å; M224-V252 HydrophobicContact SD-CG2 4.29Å; H234-V252 VanDerWaalsContact CD2-CG1 3.41Å; H234-V252 WeakPolarHBondContact CD2-CG1 3.48Å; H234-V252 WeakPolarHBondContact NE2-CG1 3.38Å; L237-V252 HydrophobicContact CD1-CG1 4.06Å; L237-V252 HydrophobicContact CD1-CG2 4.44Å; V252-F255 HydrophobicContact CG1-CZ 4.41Å
253A95Very high87Confident7 Ų740 Ų406%0.05819%0.192CC..  trans-139.4177.4-17400000111.6I172 H234 N241 L243I172-A253 HydrophobicContact CB-CB 4.04Å; I172-A253 HydrophobicContact CG2-CB 4.06Å; H234-A253 PolarHBondContact NE2-O 3.16Å; N241-A253 PolarHBondContact O-N 3.1Å; L243-A253 HydrophobicContact CD1-CB 3.61Å; L243-A253 HydrophobicContact CG-CB 3.79Å
254D86.8Confident86Confident59 Ų5943.2 Ų43.232%0.31622%0.216SC..  trans62.971.7-179.6-156.213.1000114.5K144 N241 G256K144-D254 IonicContact NZ-OD1 2.64Å; K144-D254 PolarHBondContact NZ-OD1 3.01Å; N241-D254 HydrophobicContact CB-CB 4.38Å; D254-G256 VanDerWaalsContact C-N 3.27Å; D254-G256 PolarHBondContact O-N 2.8Å
255F84.6Confident85.3Confident0 Ų046.9 Ų46.90%023%0.232CC..G310 helixtrans-86.815.2-179.4-64.6-86.7000113.6E159 I162 L163 L166 L171 I172 L227 H234 V252 L257 A258E159-F255 HydrophobicContact CG-CB 4.23Å; I162-F255 HydrophobicContact CB-CB 4.4Å; I162-F255 HydrophobicContact CG2-CB 3.87Å; I162-F255 HydrophobicContact CG2-CD1 3.72Å; I162-F255 HydrophobicContact CG2-CG 3.88Å; L163-F255 HydrophobicContact CD2-CD2 3.54Å; L163-F255 HydrophobicContact CD2-CE2 3.92Å; L163-F255 HydrophobicContact CD2-CG 4.42Å; L163-F255 HydrophobicContact CG-CD2 4.21Å; L166-F255 HydrophobicContact CD1-CD1 4Å; L166-F255 HydrophobicContact CD1-CE1 3.63Å; L166-F255 HydrophobicContact CD1-CZ 3.92Å; L171-F255 HydrophobicContact CD2-CZ 4.19Å; I172-F255 HydrophobicContact CG2-CD2 4.27Å; I172-F255 HydrophobicContact CG2-CE2 3.86Å; L227-F255 HydrophobicContact CD1-CE1 3.93Å; L227-F255 HydrophobicContact CD2-CE1 3.99Å; H234-F255 AromaticContact CD2-CE1 3.8Å; V252-F255 HydrophobicContact CG1-CZ 4.41Å; F255-L257 PolarHBondContact O-N 2.9Å; F255-A258 HydrophobicContact CB-CB 3.82Å; F255-A258 HydrophobicContact CD1-CB 3.8Å; F255-A258 HydrophobicContact CG-CB 4.32Å; F255-A258 VanDerWaalsContact O-CB 3.26Å; F255-A258 WeakPolarHBondContact O-CB 3.23Å; F255-A258 PolarHBondContact O-N 2.86Å
256G74.8Confident85Confident1 Ų150.2 Ų50.21%0.0124%0.244CC..G310 helixtrans-57.6-33.7-178.400000113.8D254 R259D254-G256 VanDerWaalsContact C-N 3.27Å; D254-G256 PolarHBondContact O-N 2.8Å; G256-R259 PolarHBondContact O-NH1 2.98Å
257L77Confident85.1Confident32 Ų3250 Ų5017%0.16825%0.245CC..G310 helixtrans-92.4-10.3175.4-63.1179.5000113.5R235 D236 F255 R259R235-L257 HydrophobicContact CB-CB 4.21Å; R235-L257 VanDerWaalsContact CD-O 3.28Å; R235-L257 WeakPolarHBondContact CD-O 3.33Å; R235-L257 PolarHBondContact NH1-O 3.14Å; D236-L257 HydrophobicContact CB-CD1 4.06Å; F255-L257 PolarHBondContact O-N 2.9Å; L257-R259 PolarHBondContact O-NH1 3.34Å
258A80.4Confident85.1Confident1 Ų148.3 Ų48.31%0.00824%0.237CC..  trans-65.9151.5-173.700000112.5I162 I233 F255I162-A258 HydrophobicContact CD1-CB 4.28Å; I162-A258 HydrophobicContact CG1-CB 4.27Å; I162-A258 HydrophobicContact CG2-CB 4.35Å; I233-A258 CarbonylContact O-C 3.52Å; I233-A258 WeakPolarHBondContact O-CA 3.42Å; I233-A258 VanDerWaalsContact O-CB 3.31Å; I233-A258 WeakPolarHBondContact O-CB 3.44Å; F255-A258 HydrophobicContact CB-CB 3.82Å; F255-A258 HydrophobicContact CD1-CB 3.8Å; F255-A258 HydrophobicContact CG-CB 4.32Å; F255-A258 VanDerWaalsContact O-CB 3.26Å; F255-A258 WeakPolarHBondContact O-CB 3.23Å; F255-A258 PolarHBondContact O-N 2.86Å
259R82.6Confident84.5Confident22 Ų2255.1 Ų55.18%0.08327%0.271CS..EExtended strand (participates in β ladder)trans-145.1146.8-177.1-63.2-67.3-179.4-90.9-5.9111.4S232 I233 G256 L257 Y266 E270S232-R259 WeakPolarHBondContact CA-O 3.39Å; I233-R259 HydrophobicContact CD1-CB 4.26Å; I233-R259 HydrophobicContact CG1-CB 3.98Å; I233-R259 WeakPolarHBondContact CG1-O 3.46Å; I233-R259 PolarHBondContact N-O 3.47Å; I233-R259 PolarHBondContact O-N 3.05Å; G256-R259 PolarHBondContact O-NH1 2.98Å; L257-R259 PolarHBondContact O-NH1 3.34Å; R259-Y266 HydrophobicContact CG-CD1 4.38Å; R259-Y266 HydrophobicContact CG-CE1 4.15Å; R259-E270 IonicContact NH2-OE1 3.2Å; R259-E270 PolarHBondContact NH2-OE1 3.16Å
260L82.6Confident83.4Confident71 Ų7156.6 Ų56.637%0.37228%0.277SS..EExtended strand (participates in β ladder)trans-79.2137.5163.6-64.7169.5000109.8I162 S232I162-L260 HydrophobicContact CD1-CD2 4.32Å; I162-L260 HydrophobicContact CD1-CG 4.08Å; S232-L260 VanDerWaalsContact OG-CD2 3.26Å; S232-L260 WeakPolarHBondContact OG-CD2 3.29Å
261V81.5Confident81.9Confident21 Ų2166 Ų6613%0.12732%0.317CS..  trans-122.9112.9-169.8174.80000109.1K231 I233 E263K231-V261 PolarHBondContact O-N 3.1Å; I233-V261 HydrophobicContact CB-CG2 4.23Å; I233-V261 HydrophobicContact CD1-CG2 3.57Å; I233-V261 HydrophobicContact CG1-CG2 3.55Å; I233-V261 HydrophobicContact CG2-CG2 3.75Å; V261-E263 WeakPolarHBondContact CG1-O 3.5Å
262K73.5Confident80.7Confident213 Ų21371.2 Ų71.293%0.92634%0.34SS*.SBendtrans-88.5-28.2179.5-68.5-175.7179.3179.30113.1
263E73.7Confident80Confident136 Ų13672.6 Ų72.664%0.63635%0.348SS*.SBendtrans-109.9164.3179.3-75.1-165.7-167.600109.8V261 F265V261-E263 WeakPolarHBondContact CG1-O 3.5Å; E263-F265 PolarHBondContact O-N 3.23Å
264P78Confident79.7Confident109 Ų10973.4 Ų73.471%0.70835%0.352SS*.SBendtrans-59.8-14.8-173.422.2-34.6000115.3S289P264-S289 WeakPolarHBondContact O-CB 3.07Å
265F83.2Confident79.9Confident78 Ų7874.4 Ų74.434%0.34235%0.352SS..  trans-148.6161175.157.1-91.7000111.3E263 I267 K287 F288E263-F265 PolarHBondContact O-N 3.23Å; F265-I267 HydrophobicContact CD2-CG1 3.96Å; F265-I267 HydrophobicContact CE2-CD1 3.96Å; F265-I267 HydrophobicContact CE2-CG1 3.86Å; F265-K287 HydrophobicContact CD2-CG 4.32Å; F265-F288 CarbonylContact C-O 3.56Å; F265-F288 WeakPolarHBondContact CA-O 3.5Å
266Y85.6Confident80.5Confident72 Ų7275.9 Ų75.928%0.28236%0.358SS..EExtended strand (participates in β ladder)trans-111.3132.8171.6172.2-110.2000109.5I233 R259 F288I233-Y266 HydrophobicContact CD1-CD1 4.3Å; I233-Y266 HydrophobicContact CD1-CG 4.42Å; R259-Y266 HydrophobicContact CG-CD1 4.38Å; R259-Y266 HydrophobicContact CG-CE1 4.15Å; Y266-F288 PolarHBondContact N-O 2.83Å; Y266-F288 PolarHBondContact O-N 2.94Å
267I85.7Confident81.5Confident101 Ų10177.5 Ų77.552%0.51836%0.364SS..EExtended strand (participates in β ladder)trans-96.2117.9172.7-59.7177.7000108.2F265 G286 K287F265-I267 HydrophobicContact CD2-CG1 3.96Å; F265-I267 HydrophobicContact CE2-CD1 3.96Å; F265-I267 HydrophobicContact CE2-CG1 3.86Å; I267-G286 WeakPolarHBondContact CA-O 3.5Å; I267-K287 HydrophobicContact CG1-CG 4.45Å
268S82.5Confident82.4Confident9 Ų976.2 Ų76.26%0.06336%0.358CS..  trans-101.7130.6176.7177.90000111.2R235 E270 G286R235-S268 PolarHBondContact NH2-OG 3.48Å; S268-E270 WeakPolarHBondContact OG-CB 3.44Å; S268-E270 PolarHBondContact OG-N 2.95Å; S268-E270 VanDerWaalsContact OG-N 3.13Å; S268-G286 PolarHBondContact N-O 2.86Å
269E76.9Confident83.3Confident190 Ų19076.1 Ų76.189%0.88836%0.357SS*.  trans-87.2-8.4168.4-61-175.617500112.6K271E269-K271 PolarHBondContact O-N 3.16Å
270E72.6Confident83.9Confident58 Ų5876 Ų7627%0.27136%0.359SS..  trans-65.3129.3178.7-59.8169.3175.400111.1R235 R259 S268 K272R235-E270 IonicContact CZ-OE2 3.73Å; R235-E270 IonicContact NH1-OE2 2.86Å; R235-E270 PolarHBondContact NH1-OE2 2.91Å; R235-E270 IonicContact NH2-OE2 2.7Å; R235-E270 PolarHBondContact NH2-OE2 2.92Å; R259-E270 IonicContact NH2-OE1 3.2Å; R259-E270 PolarHBondContact NH2-OE1 3.16Å; S268-E270 WeakPolarHBondContact OG-CB 3.44Å; S268-E270 PolarHBondContact OG-N 2.95Å; S268-E270 VanDerWaalsContact OG-N 3.13Å; E270-K272 VanDerWaalsContact C-N 3.35Å
271K66.7Low84.5Confident197 Ų19773.9 Ų73.986%0.85735%0.347SS*.  trans-84.1-4-179.3-64.6-177.1179.9177.30114.5E269 I273E269-K271 PolarHBondContact O-N 3.16Å; K271-I273 PolarHBondContact O-N 3.29Å
272K72.8Confident85.1Confident119 Ų11972.9 Ų72.952%0.51734%0.341SS..  trans-83.5103.1179.1-67.6179.4-170.5160.90108.7E270E270-K272 VanDerWaalsContact C-N 3.35Å
273I82.8Confident86.1Confident29 Ų2964 Ų6415%0.14930%0.304CS..  trans-128.6127.1-179.2-58-177000108.7K271 Y275 S278 I283 F288K271-I273 PolarHBondContact O-N 3.29Å; I273-Y275 HydrophobicContact CB-CD2 4.39Å; I273-Y275 HydrophobicContact CB-CE2 4.31Å; I273-Y275 VanDerWaalsContact O-CD2 3.24Å; I273-Y275 WeakPolarHBondContact O-CD2 3.47Å; I273-Y275 PolarHBondContact O-N 3.01Å; I273-S278 WeakPolarHBondContact CG2-OG 3.08Å; I273-I283 HydrophobicContact CG2-CG1 4.01Å; I273-F288 HydrophobicContact CD1-CZ 4.48Å; I273-F288 HydrophobicContact CG1-CZ 4.38Å
274P89.9Confident87Confident24 Ų2459.9 Ų59.916%0.15629%0.29CS..  trans-74.576.4172.733.5-36.6000109.4D236 K276 W277 S278D236-P274 WeakPolarHBondContact OD1-CB 3.07Å; D236-P274 VanDerWaalsContact OD1-CG 3.27Å; D236-P274 WeakPolarHBondContact OD1-CG 3.42Å; P274-K276 PolarHBondContact O-N 3.36Å; P274-W277 HydrophobicContact CB-CB 4.43Å; P274-W277 HydrophobicContact CB-CE3 4.25Å; P274-W277 PolarHBondContact O-N 2.91Å; P274-S278 WeakPolarHBondContact CD-OG 3.19Å; P274-S278 WeakPolarHBondContact CG-OG 3.44Å; P274-S278 PolarHBondContact O-N 3.14Å; P274-S278 PolarHBondContact O-OG 3.25Å; P274-S278 VanDerWaalsContact O-OG 3.09Å
275Y91.7Very high87.6Confident79 Ų7960.6 Ų60.631%0.3128%0.284SS..THydrogen-bonded Turntrans-44.5-38.5-169.2-86.7-97.4000115.8I273 W277 I283 N318I273-Y275 HydrophobicContact CB-CD2 4.39Å; I273-Y275 HydrophobicContact CB-CE2 4.31Å; I273-Y275 VanDerWaalsContact O-CD2 3.24Å; I273-Y275 WeakPolarHBondContact O-CD2 3.47Å; I273-Y275 PolarHBondContact O-N 3.01Å; Y275-W277 VanDerWaalsContact C-N 3.31Å; Y275-W277 PolarHBondContact O-N 3.31Å; Y275-I283 HydrophobicContact CD1-CD1 4.1Å; Y275-I283 HydrophobicContact CD1-CG1 4.31Å; Y275-I283 HydrophobicContact CD1-CG2 3.89Å; Y275-I283 HydrophobicContact CE1-CG2 3.46Å; Y275-I283 VanDerWaalsContact CE1-CG2 3.46Å; Y275-N318 HydrophobicContact CD1-CB 3.88Å; Y275-N318 HydrophobicContact CD2-CB 4.07Å; Y275-N318 HydrophobicContact CG-CB 3.65Å
276K95.4Very high88Confident31 Ų3157.3 Ų57.314%0.13527%0.272CS..THydrogen-bonded Turntrans-77.4-12.4-179.8-67.4-174.3168.7-1540114.3P274 V310 P311 Y312 V321P274-K276 PolarHBondContact O-N 3.36Å; K276-V310 HydrophobicContact CD-CG1 4.39Å; K276-P311 HydrophobicContact CB-CB 4.39Å; K276-P311 WeakPolarHBondContact CD-O 3.35Å; K276-P311 PolarHBondContact NZ-O 3.08Å; K276-Y312 HydrophobicContact CB-CD2 3.98Å; K276-Y312 HydrophobicContact CB-CE2 3.94Å; K276-Y312 HydrophobicContact CD-CD2 4.29Å; K276-Y312 HydrophobicContact CG-CD2 3.92Å; K276-Y312 HydrophobicContact CG-CE2 4.27Å; K276-Y312 VanDerWaalsContact O-CE2 3.23Å; K276-Y312 WeakPolarHBondContact O-CE2 3.28Å; K276-V321 HydrophobicContact CG-CG2 4.5Å
277W97.3Very high88.4Confident35 Ų3557.8 Ų57.813%0.13328%0.276CS..THydrogen-bonded Turntrans-109.2-20.6175.5-69.4-98.8000111.9A238 P274 Y275 W295 S296 V299 E303 P311A238-W277 HydrophobicContact CB-CD2 4.23Å; A238-W277 HydrophobicContact CB-CG 4.04Å; P274-W277 HydrophobicContact CB-CB 4.43Å; P274-W277 HydrophobicContact CB-CE3 4.25Å; P274-W277 PolarHBondContact O-N 2.91Å; Y275-W277 VanDerWaalsContact C-N 3.31Å; Y275-W277 PolarHBondContact O-N 3.31Å; W277-W295 VanDerWaalsContact O-CD1 3.26Å; W277-S296 WeakPolarHBondContact O-CA 3.47Å; W277-S296 PolarHBondContact O-OG 2.87Å; W277-V299 VanDerWaalsContact CD1-CG1 3.43Å; W277-V299 HydrophobicContact CD2-CG1 4.42Å; W277-V299 HydrophobicContact CG-CB 4.43Å; W277-V299 HydrophobicContact CG-CG1 3.97Å; W277-E303 WeakPolarHBondContact CZ2-OE1 3.49Å; W277-E303 VanDerWaalsContact NE1-CD 3.3Å; W277-E303 PolarHBondContact NE1-OE2 2.97Å; W277-P311 HydrophobicContact CH2-CG 4.29Å; W277-P311 HydrophobicContact CZ2-CG 3.7Å
278S96.2Very high88.8Confident5 Ų553.2 Ų53.24%0.03525%0.252CS..SBendtrans-79.8141.4-174-58.10000113.9I273 P274 I283 W295I273-S278 WeakPolarHBondContact CG2-OG 3.08Å; P274-S278 WeakPolarHBondContact CD-OG 3.19Å; P274-S278 WeakPolarHBondContact CG-OG 3.44Å; P274-S278 PolarHBondContact O-N 3.14Å; P274-S278 PolarHBondContact O-OG 3.25Å; P274-S278 VanDerWaalsContact O-OG 3.09Å; S278-I283 WeakPolarHBondContact O-CD1 3.37Å; S278-W295 PolarHBondContact O-NE1 3.32Å
279A97.3Very high89.4Confident0 Ų053.5 Ų53.50%025%0.254CS..  trans-63.6150.9172.300000112E281 A282 I283 W295A279-E281 VanDerWaalsContact C-N 3.29Å; A279-E281 VanDerWaalsContact CB-CD 3.47Å; A279-E281 WeakPolarHBondContact CB-OE1 3.44Å; A279-E281 WeakPolarHBondContact CB-OE2 3.38Å; A279-E281 PolarHBondContact O-N 3.09Å; A279-A282 HydrophobicContact CB-CB 4.46Å; A279-A282 WeakPolarHBondContact O-CB 3.42Å; A279-A282 PolarHBondContact O-N 3.32Å; A279-A282 VanDerWaalsContact O-N 3.09Å; A279-I283 PolarHBondContact O-N 2.96Å; A279-I283 VanDerWaalsContact O-N 3.07Å; A279-W295 HydrophobicContact CB-CB 3.71Å; A279-W295 HydrophobicContact CB-CD2 4.03Å; A279-W295 HydrophobicContact CB-CE3 4.39Å; A279-W295 HydrophobicContact CB-CG 3.71Å
280P96.3Very high90.3Very high18 Ų1846 Ų4612%0.11722%0.219CC..Hα-helixtrans-60.5-34.7-176.223.2-33.5000113.3I283 S284 W295 Y322 V325P280-I283 PolarHBondContact O-N 3.1Å; P280-S284 WeakPolarHBondContact O-CB 3.37Å; P280-S284 PolarHBondContact O-N 3.38Å; P280-S284 PolarHBondContact O-OG 3Å; P280-W295 HydrophobicContact CG-CH2 4.28Å; P280-W295 HydrophobicContact CG-CZ3 4.18Å; P280-Y322 HydrophobicContact CB-CE2 4.36Å; P280-V325 HydrophobicContact CB-CG1 4.39Å; P280-V325 HydrophobicContact CG-CG1 4.42Å
281E95.7Very high91.6Very high27 Ų2745 Ų4513%0.12621%0.214CC..Hα-helixtrans-69.4-33.8176.172.3-76.1-178.100113A279 H285 K287 P353 R356A279-E281 VanDerWaalsContact C-N 3.29Å; A279-E281 VanDerWaalsContact CB-CD 3.47Å; A279-E281 WeakPolarHBondContact CB-OE1 3.44Å; A279-E281 WeakPolarHBondContact CB-OE2 3.38Å; A279-E281 PolarHBondContact O-N 3.09Å; E281-H285 PolarHBondContact O-N 2.96Å; E281-K287 PolarHBondContact O-N 3.23Å; E281-P353 HydrophobicContact CG-CG 4.23Å; E281-R356 IonicContact OE1-CZ 2.72Å; E281-R356 IonicContact OE1-NH1 2.73Å; E281-R356 PolarHBondContact OE1-NH1 2.94Å; E281-R356 IonicContact OE1-NH2 3.44Å; E281-R356 PolarHBondContact OE1-NH2 2.65Å; E281-R356 IonicContact OE2-CZ 2.94Å; E281-R356 IonicContact OE2-NH1 3.83Å; E281-R356 IonicContact OE2-NH2 3.25Å; E281-R356 PolarHBondContact OE2-NH2 3.41Å
282A94.4Very high93Very high0 Ų035.8 Ų35.80%018%0.175CC..Hα-helixtrans-68.8-4217500000111A279 G286 K287 F288A279-A282 HydrophobicContact CB-CB 4.46Å; A279-A282 WeakPolarHBondContact O-CB 3.42Å; A279-A282 PolarHBondContact O-N 3.32Å; A279-A282 VanDerWaalsContact O-N 3.09Å; A282-G286 WeakPolarHBondContact O-CA 3.24Å; A282-G286 PolarHBondContact O-N 3.27Å; A282-K287 WeakPolarHBondContact CA-O 3.44Å; A282-K287 PolarHBondContact N-O 3.26Å; A282-F288 HydrophobicContact CB-CD1 3.89Å; A282-F288 HydrophobicContact CB-CE1 3.76Å; A282-F288 HydrophobicContact CB-CE2 4.45Å; A282-F288 HydrophobicContact CB-CG 4.34Å; A282-F288 HydrophobicContact CB-CZ 4.04Å
283I93Very high94.3Very high26 Ų2630.1 Ų30.113%0.13315%0.15CC..Hα-helixtrans-66.1-43.4176.8-64.5167.2000111.6I273 Y275 S278 A279 P280 Y322I273-I283 HydrophobicContact CG2-CG1 4.01Å; Y275-I283 HydrophobicContact CD1-CD1 4.1Å; Y275-I283 HydrophobicContact CD1-CG1 4.31Å; Y275-I283 HydrophobicContact CD1-CG2 3.89Å; Y275-I283 HydrophobicContact CE1-CG2 3.46Å; Y275-I283 VanDerWaalsContact CE1-CG2 3.46Å; S278-I283 WeakPolarHBondContact O-CD1 3.37Å; A279-I283 PolarHBondContact O-N 2.96Å; A279-I283 VanDerWaalsContact O-N 3.07Å; P280-I283 PolarHBondContact O-N 3.1Å; I283-Y322 HydrophobicContact CB-CD2 3.95Å; I283-Y322 HydrophobicContact CB-CE2 4.15Å; I283-Y322 HydrophobicContact CD1-CD2 4.02Å; I283-Y322 HydrophobicContact CG2-CD2 3.57Å; I283-Y322 HydrophobicContact CG2-CE2 3.94Å; I283-Y322 HydrophobicContact CG2-CG 4.11Å
284S92.2Very high95Very high51 Ų5128.8 Ų28.836%0.35714%0.143SC..Hα-helixtrans-86.4-34.8-169.452.60000114.7P280 Y322P280-S284 WeakPolarHBondContact O-CB 3.37Å; P280-S284 PolarHBondContact O-N 3.38Å; P280-S284 PolarHBondContact O-OG 3Å; S284-Y322 WeakPolarHBondContact CB-OH 3.26Å
285H91.2Very high95.4Very high123 Ų12327.7 Ų27.757%0.56914%0.136SC*.Hα-helixtrans-123.23-174.3-58.485.5000112.7E281 K287E281-H285 PolarHBondContact O-N 2.96Å; H285-K287 HydrophobicContact CB-CB 4.43Å; H285-K287 HydrophobicContact CB-CD 4.03Å; H285-K287 HydrophobicContact CB-CG 3.84Å; H285-K287 PolarHBondContact O-N 3.23Å
286G91.5Very high95.8Very high9 Ų924.1 Ų24.19%0.09312%0.123CC..  trans63.517.8-173.100000113.3I267 S268 A282 F288I267-G286 WeakPolarHBondContact CA-O 3.5Å; S268-G286 PolarHBondContact N-O 2.86Å; A282-G286 WeakPolarHBondContact O-CA 3.24Å; A282-G286 PolarHBondContact O-N 3.27Å; G286-F288 VanDerWaalsContact O-CD2 3.23Å; G286-F288 WeakPolarHBondContact O-CD2 3.45Å; G286-F288 PolarHBondContact O-N 3.4Å
287K93.8Very high95.9Very high83 Ų8322.7 Ų22.736%0.36112%0.116SC..EExtended strand (participates in β ladder)trans-85101.5-176.8-72.8-177.7179.5-176.60110.3F265 I267 E281 A282 H285F265-K287 HydrophobicContact CD2-CG 4.32Å; I267-K287 HydrophobicContact CG1-CG 4.45Å; E281-K287 PolarHBondContact O-N 3.23Å; A282-K287 WeakPolarHBondContact CA-O 3.44Å; A282-K287 PolarHBondContact N-O 3.26Å; H285-K287 HydrophobicContact CB-CB 4.43Å; H285-K287 HydrophobicContact CB-CD 4.03Å; H285-K287 HydrophobicContact CB-CG 3.84Å; H285-K287 PolarHBondContact O-N 3.23Å
288F94.3Very high96Very high5 Ų521 Ų212%0.02211%0.11CC..EExtended strand (participates in β ladder)trans-100.4139175.1-65.4-92.2000110.7I233 R235 F265 Y266 I273 A282 G286I233-F288 HydrophobicContact CD1-CB 3.71Å; R235-F288 HydrophobicContact CB-CD1 4.03Å; R235-F288 HydrophobicContact CB-CE1 4.26Å; R235-F288 HydrophobicContact CG-CB 4.03Å; R235-F288 HydrophobicContact CG-CD1 3.69Å; R235-F288 HydrophobicContact CG-CE1 4.36Å; R235-F288 HydrophobicContact CG-CG 3.94Å; F265-F288 CarbonylContact C-O 3.56Å; F265-F288 WeakPolarHBondContact CA-O 3.5Å; Y266-F288 PolarHBondContact N-O 2.83Å; Y266-F288 PolarHBondContact O-N 2.94Å; I273-F288 HydrophobicContact CD1-CZ 4.48Å; I273-F288 HydrophobicContact CG1-CZ 4.38Å; A282-F288 HydrophobicContact CB-CD1 3.89Å; A282-F288 HydrophobicContact CB-CE1 3.76Å; A282-F288 HydrophobicContact CB-CE2 4.45Å; A282-F288 HydrophobicContact CB-CG 4.34Å; A282-F288 HydrophobicContact CB-CZ 4.04Å; G286-F288 VanDerWaalsContact O-CD2 3.23Å; G286-F288 WeakPolarHBondContact O-CD2 3.45Å; G286-F288 PolarHBondContact O-N 3.4Å
289S95.9Very high96.1Very high15 Ų1520.8 Ų20.811%0.10511%0.108CC..  trans-151.6173.4175.7680000109.5I233 P264 K291 S292 D293I233-S289 VanDerWaalsContact CG2-C 3.49Å; P264-S289 WeakPolarHBondContact O-CB 3.07Å; S289-K291 PolarHBondContact O-N 3.44Å; S289-K291 PolarHBondContact OG-N 3.15Å; S289-S292 PolarHBondContact N-OG 3.01Å; S289-S292 WeakPolarHBondContact O-CA 3.28Å; S289-S292 WeakPolarHBondContact O-CB 3.28Å; S289-S292 PolarHBondContact O-N 3.26Å; S289-S292 PolarHBondContact O-OG 3.49Å; S289-S292 PolarHBondContact OG-N 2.78Å; S289-D293 PolarHBondContact O-N 2.9Å
290I96.5Very high96.2Very high32 Ų3220.8 Ų20.816%0.16411%0.108CC..Hα-helixtrans-58.2-30.9172.6-164.667.4000111.6M224 E228 S292 D293 V294 F359M224-I290 HydrophobicContact CE-CD1 4.49Å; E228-I290 HydrophobicContact CB-CD1 3.87Å; E228-I290 HydrophobicContact CB-CG1 3.77Å; E228-I290 HydrophobicContact CG-CD1 4.45Å; E228-I290 HydrophobicContact CG-CG1 3.79Å; E228-I290 HydrophobicContact CG-CG2 4.48Å; I290-S292 VanDerWaalsContact C-N 3.3Å; I290-S292 PolarHBondContact O-N 3.37Å; I290-D293 HydrophobicContact CD1-CB 4.47Å; I290-D293 WeakPolarHBondContact O-CA 3.37Å; I290-D293 WeakPolarHBondContact O-CB 3.39Å; I290-D293 PolarHBondContact O-N 3.37Å; I290-D293 VanDerWaalsContact O-N 3.09Å; I290-V294 WeakPolarHBondContact O-CG2 3.3Å; I290-V294 PolarHBondContact O-N 2.86Å; I290-F359 HydrophobicContact CD1-CD2 3.79Å; I290-F359 HydrophobicContact CD1-CE2 3.67Å; I290-F359 HydrophobicContact CG1-CD2 3.83Å; I290-F359 HydrophobicContact CG1-CE2 3.91Å
291K98.1Very high96.3Very high38 Ų3819.9 Ų19.917%0.16510%0.103CC..Hα-helixtrans-69.1-26.1175.2-60.7-55.7-168.7179.20113S289 W295 P353 R356 P357S289-K291 PolarHBondContact O-N 3.44Å; S289-K291 PolarHBondContact OG-N 3.15Å; K291-W295 PolarHBondContact O-N 3.39Å; K291-P353 HydrophobicContact CB-CB 3.78Å; K291-P353 WeakPolarHBondContact CD-O 3.28Å; K291-P353 HydrophobicContact CG-CB 4.32Å; K291-P353 WeakPolarHBondContact CG-O 3.33Å; K291-R356 HydrophobicContact CD-CB 4.3Å; K291-R356 PolarHBondContact NZ-O 3.02Å; K291-R356 WeakPolarHBondContact O-CD 3.45Å; K291-R356 PolarHBondContact O-NH1 3.08Å; K291-P357 VanDerWaalsContact NZ-C 3.31Å; K291-P357 PolarHBondContact NZ-O 3.37Å
292S97.8Very high96.5Very high3 Ų320.5 Ų20.52%0.02110%0.104CC..Hα-helixtrans-74.8-29.2169.971.60000112.4S289 I290 W295 S296S289-S292 PolarHBondContact N-OG 3.01Å; S289-S292 WeakPolarHBondContact O-CA 3.28Å; S289-S292 WeakPolarHBondContact O-CB 3.28Å; S289-S292 PolarHBondContact O-N 3.26Å; S289-S292 PolarHBondContact O-OG 3.49Å; S289-S292 PolarHBondContact OG-N 2.78Å; I290-S292 VanDerWaalsContact C-N 3.3Å; I290-S292 PolarHBondContact O-N 3.37Å; S292-W295 WeakPolarHBondContact O-CB 3.49Å; S292-W295 PolarHBondContact O-N 3.39Å; S292-S296 PolarHBondContact O-N 3.07Å; S292-S296 PolarHBondContact O-OG 3.19Å
293D98.3Very high96.7Very high0 Ų020.7 Ų20.70%011%0.105CC..Hα-helixtrans-71.3-34.9169.6-68.6-30.5000111.3M224 I233 H234 R235 S289 I290 W295 S296 F297 F359M224-D293 HydrophobicContact CE-CB 3.85Å; I233-D293 WeakPolarHBondContact CA-OD2 3.49Å; H234-D293 PolarHBondContact N-OD2 3.21Å; R235-D293 PolarHBondContact N-OD1 2.9Å; S289-D293 PolarHBondContact O-N 2.9Å; I290-D293 HydrophobicContact CD1-CB 4.47Å; I290-D293 WeakPolarHBondContact O-CA 3.37Å; I290-D293 WeakPolarHBondContact O-CB 3.39Å; I290-D293 PolarHBondContact O-N 3.37Å; I290-D293 VanDerWaalsContact O-N 3.09Å; D293-W295 VanDerWaalsContact C-N 3.3Å; D293-W295 PolarHBondContact O-N 2.92Å; D293-S296 CarbonylContact O-C 3.53Å; D293-S296 WeakPolarHBondContact O-CA 3.12Å; D293-S296 WeakPolarHBondContact O-CB 3.1Å; D293-S296 PolarHBondContact O-N 3.18Å; D293-S296 VanDerWaalsContact O-N 3.08Å; D293-F297 PolarHBondContact O-N 3.4Å; D293-F359 HydrophobicContact CB-CE2 3.94Å; D293-F359 HydrophobicContact CB-CZ 4.03Å
294V98.8Very high96.9Very high0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-59.3-40.7171.9168.60000111.5I290 S296 F297 G298 C348 R356 P357 F359 L362I290-V294 WeakPolarHBondContact O-CG2 3.3Å; I290-V294 PolarHBondContact O-N 2.86Å; V294-S296 VanDerWaalsContact C-N 3.33Å; V294-S296 PolarHBondContact O-N 2.93Å; V294-F297 WeakPolarHBondContact O-CB 3.24Å; V294-F297 PolarHBondContact O-N 2.88Å; V294-G298 PolarHBondContact O-N 2.87Å; V294-G298 VanDerWaalsContact O-N 3.08Å; V294-C348 HydrophobicContact CG1-CB 4.14Å; V294-C348 WeakPolarHBondContact O-CB 3.28Å; V294-R356 HydrophobicContact CG1-CB 3.81Å; V294-P357 HydrophobicContact CG1-CG 4.27Å; V294-P357 WeakPolarHBondContact CG2-O 3.26Å; V294-F359 HydrophobicContact CG2-CD2 3.92Å; V294-F359 HydrophobicContact CG2-CE1 4.44Å; V294-F359 HydrophobicContact CG2-CE2 3.65Å; V294-F359 HydrophobicContact CG2-CG 4.42Å; V294-F359 HydrophobicContact CG2-CZ 3.94Å; V294-L362 HydrophobicContact CG1-CD1 4.03Å; V294-L362 HydrophobicContact CG2-CD1 4.31Å
295W98.8Very high97.2Very high1 Ų117.5 Ų17.50%0.0048%0.084CC..Hα-helixtrans-58.8-47.7172-179.7-72.8000111.5W277 S278 A279 P280 K291 S292 D293 F297 G298 V299 V325 W349W277-W295 VanDerWaalsContact O-CD1 3.26Å; S278-W295 PolarHBondContact O-NE1 3.32Å; A279-W295 HydrophobicContact CB-CB 3.71Å; A279-W295 HydrophobicContact CB-CD2 4.03Å; A279-W295 HydrophobicContact CB-CE3 4.39Å; A279-W295 HydrophobicContact CB-CG 3.71Å; P280-W295 HydrophobicContact CG-CH2 4.28Å; P280-W295 HydrophobicContact CG-CZ3 4.18Å; K291-W295 PolarHBondContact O-N 3.39Å; S292-W295 WeakPolarHBondContact O-CB 3.49Å; S292-W295 PolarHBondContact O-N 3.39Å; D293-W295 VanDerWaalsContact C-N 3.3Å; D293-W295 PolarHBondContact O-N 2.92Å; W295-F297 VanDerWaalsContact C-N 3.27Å; W295-F297 PolarHBondContact O-N 3.32Å; W295-G298 PolarHBondContact O-N 2.75Å; W295-G298 VanDerWaalsContact O-N 3.08Å; W295-V299 PolarHBondContact O-N 3.28Å; W295-V325 HydrophobicContact CH2-CG1 3.46Å; W295-V325 VanDerWaalsContact CH2-CG1 3.46Å; W295-V325 HydrophobicContact CZ2-CG1 3.47Å; W295-V325 VanDerWaalsContact CZ2-CG1 3.47Å; W295-V325 HydrophobicContact CZ2-CG2 4.44Å; W295-W349 AromaticContact CD2-CD1 3.7Å; W295-W349 HydrophobicContact CD2-CG 4.47Å; W295-W349 AromaticContact CE2-CD1 3.73Å; W295-W349 HydrophobicContact CE3-CB 4.17Å; W295-W349 AromaticContact CG-CD1 3.97Å; W295-W349 HydrophobicContact CH2-CB 3.99Å; W295-W349 HydrophobicContact CH2-CG 4.47Å; W295-W349 HydrophobicContact CZ2-CB 4.41Å; W295-W349 HydrophobicContact CZ2-CG 4.41Å; W295-W349 HydrophobicContact CZ3-CB 3.88Å; W295-W349 WeakPolarHBondContact CZ3-O 3.31Å; W295-W349 PolarHBondContact O-NE1 2.99Å
296S98.8Very high97.5Very high5 Ų512.8 Ų12.84%0.0356%0.064CC..Hα-helixtrans-60.5-38.1178.8-51.90000111.3L237 W277 S292 D293 V294 G298 V299 L300L237-S296 WeakPolarHBondContact O-CB 3.38Å; W277-S296 WeakPolarHBondContact O-CA 3.47Å; W277-S296 PolarHBondContact O-OG 2.87Å; S292-S296 PolarHBondContact O-N 3.07Å; S292-S296 PolarHBondContact O-OG 3.19Å; D293-S296 CarbonylContact O-C 3.53Å; D293-S296 WeakPolarHBondContact O-CA 3.12Å; D293-S296 WeakPolarHBondContact O-CB 3.1Å; D293-S296 PolarHBondContact O-N 3.18Å; D293-S296 VanDerWaalsContact O-N 3.08Å; V294-S296 VanDerWaalsContact C-N 3.33Å; V294-S296 PolarHBondContact O-N 2.93Å; S296-G298 PolarHBondContact O-N 2.93Å; S296-V299 CarbonylContact O-C 3.46Å; S296-V299 WeakPolarHBondContact O-CA 3.41Å; S296-V299 WeakPolarHBondContact O-CB 3.37Å; S296-V299 PolarHBondContact O-N 3.16Å; S296-V299 VanDerWaalsContact O-N 3.1Å; S296-L300 PolarHBondContact O-N 3.09Å
297F98.9Very high97.8Very high0 Ų015.4 Ų15.40%07%0.071CC..Hα-helixtrans-62.3-39.7173.3-176-100.5000112.4V220 A221 L237 D293 V294 W295 V299 L300 L301 F359 L362 L366V220-F297 HydrophobicContact CB-CE2 4.21Å; V220-F297 HydrophobicContact CG1-CD2 4.18Å; V220-F297 HydrophobicContact CG1-CE2 3.99Å; A221-F297 HydrophobicContact CB-CE2 4.05Å; A221-F297 HydrophobicContact CB-CZ 3.75Å; L237-F297 HydrophobicContact CD2-CB 3.86Å; L237-F297 HydrophobicContact CD2-CD2 4.16Å; D293-F297 PolarHBondContact O-N 3.4Å; V294-F297 WeakPolarHBondContact O-CB 3.24Å; V294-F297 PolarHBondContact O-N 2.88Å; W295-F297 VanDerWaalsContact C-N 3.27Å; W295-F297 PolarHBondContact O-N 3.32Å; F297-V299 VanDerWaalsContact C-N 3.26Å; F297-V299 PolarHBondContact O-N 2.95Å; F297-L300 HydrophobicContact CD2-CD2 4.05Å; F297-L300 HydrophobicContact CE2-CD2 4.3Å; F297-L300 WeakPolarHBondContact O-CB 3.41Å; F297-L300 PolarHBondContact O-N 3.01Å; F297-L300 VanDerWaalsContact O-N 3.14Å; F297-L301 HydrophobicContact CD1-CD1 4.14Å; F297-L301 HydrophobicContact CD1-CG 4.15Å; F297-L301 HydrophobicContact CE1-CD1 3.78Å; F297-L301 HydrophobicContact CE1-CD2 3.91Å; F297-L301 HydrophobicContact CE1-CG 3.81Å; F297-L301 HydrophobicContact CZ-CD2 3.86Å; F297-L301 HydrophobicContact CZ-CG 4.19Å; F297-L301 WeakPolarHBondContact O-CG 3.39Å; F297-L301 PolarHBondContact O-N 3.02Å; F297-F359 HydrophobicContact CB-CE1 3.69Å; F297-F359 HydrophobicContact CB-CZ 4.07Å; F297-F359 HydrophobicContact CD1-CE1 4.41Å; F297-F359 AromaticContact CD2-CE1 3.96Å; F297-F359 HydrophobicContact CD2-CE1 3.96Å; F297-F359 AromaticContact CG-CE1 3.76Å; F297-F359 HydrophobicContact CG-CE1 3.76Å; F297-L362 HydrophobicContact CD1-CD1 3.7Å; F297-L362 HydrophobicContact CD1-CD2 4.5Å; F297-L362 HydrophobicContact CE1-CB 4.29Å; F297-L362 HydrophobicContact CE1-CD1 4.09Å; F297-L362 HydrophobicContact CE1-CD2 4.42Å; F297-L362 HydrophobicContact CG-CD1 4.46Å; F297-L366 HydrophobicContact CE1-CD1 4.12Å; F297-L366 HydrophobicContact CZ-CD1 3.78Å
298G98.8Very high97.9Very high0 Ų011.5 Ų11.50%06%0.055CC..Hα-helixtrans-58.1-38.8171.700000112.6V294 W295 S296 Y302 W349V294-G298 PolarHBondContact O-N 2.87Å; V294-G298 VanDerWaalsContact O-N 3.08Å; W295-G298 PolarHBondContact O-N 2.75Å; W295-G298 VanDerWaalsContact O-N 3.08Å; S296-G298 PolarHBondContact O-N 2.93Å; G298-Y302 PolarHBondContact O-N 3.01Å; G298-W349 VanDerWaalsContact C-CZ2 3.41Å; G298-W349 WeakPolarHBondContact O-CZ2 3.21Å
299V98.8Very high98Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-70.3-38.8174.3-175.80000111.5W277 W295 S296 F297 L301 Y302 E303 P311 M331 W349W277-V299 VanDerWaalsContact CD1-CG1 3.43Å; W277-V299 HydrophobicContact CD2-CG1 4.42Å; W277-V299 HydrophobicContact CG-CB 4.43Å; W277-V299 HydrophobicContact CG-CG1 3.97Å; W295-V299 PolarHBondContact O-N 3.28Å; S296-V299 CarbonylContact O-C 3.46Å; S296-V299 WeakPolarHBondContact O-CA 3.41Å; S296-V299 WeakPolarHBondContact O-CB 3.37Å; S296-V299 PolarHBondContact O-N 3.16Å; S296-V299 VanDerWaalsContact O-N 3.1Å; F297-V299 VanDerWaalsContact C-N 3.26Å; F297-V299 PolarHBondContact O-N 2.95Å; V299-L301 VanDerWaalsContact C-N 3.35Å; V299-L301 PolarHBondContact O-N 3.18Å; V299-Y302 WeakPolarHBondContact O-CA 3.47Å; V299-Y302 VanDerWaalsContact O-CB 3.29Å; V299-Y302 WeakPolarHBondContact O-CB 3.33Å; V299-Y302 PolarHBondContact O-N 3.39Å; V299-E303 PolarHBondContact O-N 2.93Å; V299-P311 HydrophobicContact CG1-CB 3.75Å; V299-P311 HydrophobicContact CG1-CG 3.51Å; V299-M331 HydrophobicContact CG1-CE 4.44Å; V299-M331 HydrophobicContact CG2-CE 4.39Å; V299-W349 HydrophobicContact CG2-CZ2 4.25Å
300L98.8Very high97.9Very high0 Ų017.3 Ų17.30%09%0.092CC..Hα-helixtrans-59.5-43.4173.117265000111.8L196 V220 L237 A239 V242 S296 F297 Y302 E303 I304L196-L300 HydrophobicContact CD2-CD1 4.22Å; V220-L300 HydrophobicContact CB-CD2 4.25Å; V220-L300 HydrophobicContact CG1-CD2 3.56Å; V220-L300 HydrophobicContact CG2-CD2 4.37Å; L237-L300 HydrophobicContact CD1-CD2 4.3Å; L237-L300 HydrophobicContact CG-CD2 4.37Å; A239-L300 HydrophobicContact CB-CD1 3.74Å; V242-L300 HydrophobicContact CG2-CD1 4.49Å; V242-L300 HydrophobicContact CG2-CD2 4.2Å; S296-L300 PolarHBondContact O-N 3.09Å; F297-L300 HydrophobicContact CD2-CD2 4.05Å; F297-L300 HydrophobicContact CE2-CD2 4.3Å; F297-L300 WeakPolarHBondContact O-CB 3.41Å; F297-L300 PolarHBondContact O-N 3.01Å; F297-L300 VanDerWaalsContact O-N 3.14Å; L300-Y302 PolarHBondContact O-N 2.78Å; L300-E303 WeakPolarHBondContact O-CB 3.36Å; L300-E303 PolarHBondContact O-N 3.49Å; L300-E303 VanDerWaalsContact O-N 3.11Å; L300-I304 HydrophobicContact CD1-CD1 4.09Å; L300-I304 HydrophobicContact CD1-CG1 4.2Å; L300-I304 HydrophobicContact CG-CD1 3.93Å; L300-I304 HydrophobicContact CG-CG1 4.45Å; L300-I304 WeakPolarHBondContact O-CG1 3.5Å; L300-I304 PolarHBondContact O-N 2.97Å
301L98.7Very high97.9Very high0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-56.9-38.5173.7-69.1178.9000111A217 F297 V299 I304 M305 I344 M345 L366A217-L301 HydrophobicContact CB-CD2 3.52Å; F297-L301 HydrophobicContact CD1-CD1 4.14Å; F297-L301 HydrophobicContact CD1-CG 4.15Å; F297-L301 HydrophobicContact CE1-CD1 3.78Å; F297-L301 HydrophobicContact CE1-CD2 3.91Å; F297-L301 HydrophobicContact CE1-CG 3.81Å; F297-L301 HydrophobicContact CZ-CD2 3.86Å; F297-L301 HydrophobicContact CZ-CG 4.19Å; F297-L301 WeakPolarHBondContact O-CG 3.39Å; F297-L301 PolarHBondContact O-N 3.02Å; V299-L301 VanDerWaalsContact C-N 3.35Å; V299-L301 PolarHBondContact O-N 3.18Å; L301-I304 PolarHBondContact O-N 3.1Å; L301-M305 WeakPolarHBondContact O-CB 3.47Å; L301-M305 VanDerWaalsContact O-CG 3.25Å; L301-M305 WeakPolarHBondContact O-CG 3.42Å; L301-M305 PolarHBondContact O-N 3.03Å; L301-I344 HydrophobicContact CD1-CB 4.44Å; L301-I344 HydrophobicContact CD1-CG2 3.72Å; L301-M345 HydrophobicContact CB-CE 3.68Å; L301-M345 HydrophobicContact CB-CG 3.94Å; L301-M345 HydrophobicContact CD1-CG 4.13Å; L301-M345 WeakPolarHBondContact O-CE 3.41Å; L301-L366 HydrophobicContact CD2-CD2 4.47Å
302Y98.4Very high97.7Very high39 Ų3914.6 Ų14.615%0.1538%0.079CC..Hα-helixtrans-65.8-44.1177.6179.7-84.2000110.6G298 V299 L300 I304 M305 T306 M331 P334G298-Y302 PolarHBondContact O-N 3.01Å; V299-Y302 WeakPolarHBondContact O-CA 3.47Å; V299-Y302 VanDerWaalsContact O-CB 3.29Å; V299-Y302 WeakPolarHBondContact O-CB 3.33Å; V299-Y302 PolarHBondContact O-N 3.39Å; L300-Y302 PolarHBondContact O-N 2.78Å; Y302-I304 VanDerWaalsContact C-N 3.35Å; Y302-I304 PolarHBondContact O-N 3.31Å; Y302-M305 PolarHBondContact O-N 3.04Å; Y302-T306 HydrophobicContact CD1-CG2 4.14Å; Y302-T306 HydrophobicContact CD2-CG2 4.48Å; Y302-T306 HydrophobicContact CE1-CG2 3.8Å; Y302-T306 HydrophobicContact CE2-CG2 4.16Å; Y302-T306 HydrophobicContact CG-CG2 4.46Å; Y302-T306 WeakPolarHBondContact O-CB 3.48Å; Y302-T306 VanDerWaalsContact O-CG2 3.26Å; Y302-T306 WeakPolarHBondContact O-CG2 3.46Å; Y302-T306 PolarHBondContact O-N 2.95Å; Y302-T306 PolarHBondContact O-OG1 3.47Å; Y302-M331 HydrophobicContact CD1-CE 4.26Å; Y302-M331 HydrophobicContact CD1-SD 4.06Å; Y302-M331 HydrophobicContact CD2-CB 4.16Å; Y302-M331 HydrophobicContact CD2-CE 4.09Å; Y302-M331 HydrophobicContact CD2-SD 3.95Å; Y302-M331 HydrophobicContact CE1-SD 4.03Å; Y302-M331 HydrophobicContact CE2-CB 4.03Å; Y302-M331 HydrophobicContact CE2-SD 3.92Å; Y302-M331 HydrophobicContact CG-CE 3.88Å; Y302-M331 HydrophobicContact CG-SD 4.03Å; Y302-P334 HydrophobicContact CD2-CG 3.74Å; Y302-P334 HydrophobicContact CE2-CG 3.86Å
303E98.6Very high97.1Very high4 Ų417.2 Ų17.22%0.01910%0.096CC..Hα-helixtrans-58.1-46.9173.6-66.2-177.7101.600111.2A239 W277 V299 L300 T306 Y307 G308 P311A239-E303 HydrophobicContact CB-CB 4.01Å; A239-E303 HydrophobicContact CB-CG 4.43Å; A239-E303 PolarHBondContact N-OE2 3.45Å; W277-E303 WeakPolarHBondContact CZ2-OE1 3.49Å; W277-E303 VanDerWaalsContact NE1-CD 3.3Å; W277-E303 PolarHBondContact NE1-OE2 2.97Å; V299-E303 PolarHBondContact O-N 2.93Å; L300-E303 WeakPolarHBondContact O-CB 3.36Å; L300-E303 PolarHBondContact O-N 3.49Å; L300-E303 VanDerWaalsContact O-N 3.11Å; E303-T306 CarbonylContact O-C 3.58Å; E303-T306 PolarHBondContact O-N 3.15Å; E303-T306 PolarHBondContact O-OG1 2.83Å; E303-Y307 PolarHBondContact O-N 2.96Å; E303-Y307 VanDerWaalsContact O-N 3.12Å; E303-G308 PolarHBondContact O-N 3.46Å; E303-P311 HydrophobicContact CG-CG 4.09Å
304I98.4Very high96.4Very high0 Ų022.1 Ų22.10%014%0.137CC..Hα-helixtrans-59.3-52.3179.4-70.3170.8000111L196 L200 L213 A217 L300 L301 Y302 T306 Y307L196-I304 HydrophobicContact CD2-CD1 4.05Å; L196-I304 HydrophobicContact CD2-CG1 3.97Å; L200-I304 HydrophobicContact CD1-CG1 4.28Å; L213-I304 HydrophobicContact CB-CG2 3.74Å; L213-I304 HydrophobicContact CD2-CG2 4.1Å; L213-I304 HydrophobicContact CG-CG2 4.36Å; L213-I304 WeakPolarHBondContact O-CG2 3.36Å; A217-I304 HydrophobicContact CB-CD1 3.89Å; L300-I304 HydrophobicContact CD1-CD1 4.09Å; L300-I304 HydrophobicContact CD1-CG1 4.2Å; L300-I304 HydrophobicContact CG-CD1 3.93Å; L300-I304 HydrophobicContact CG-CG1 4.45Å; L300-I304 WeakPolarHBondContact O-CG1 3.5Å; L300-I304 PolarHBondContact O-N 2.97Å; L301-I304 PolarHBondContact O-N 3.1Å; Y302-I304 VanDerWaalsContact C-N 3.35Å; Y302-I304 PolarHBondContact O-N 3.31Å; I304-T306 PolarHBondContact O-N 3.45Å; I304-Y307 PolarHBondContact O-N 3.09Å; I304-Y307 VanDerWaalsContact O-N 3.12Å
305M97.8Very high95.6Very high11 Ų1125.6 Ų25.65%0.05417%0.173CC..Hα-helixtrans-71.1-15.7-176.1-65.3-66.8151.300113.9L213 I214 L301 Y302 P334 C337 I341 M345L213-M305 HydrophobicContact CB-CE 4.28Å; I214-M305 HydrophobicContact CG1-CE 3.7Å; L301-M305 WeakPolarHBondContact O-CB 3.47Å; L301-M305 VanDerWaalsContact O-CG 3.25Å; L301-M305 WeakPolarHBondContact O-CG 3.42Å; L301-M305 PolarHBondContact O-N 3.03Å; Y302-M305 PolarHBondContact O-N 3.04Å; M305-P334 HydrophobicContact CB-CB 4.34Å; M305-P334 HydrophobicContact CB-CG 4.09Å; M305-C337 HydrophobicContact CB-CB 4.45Å; M305-I341 HydrophobicContact CE-CD1 4.2Å; M305-I341 HydrophobicContact CE-CG1 4.05Å; M305-I341 HydrophobicContact CE-CG2 3.92Å; M305-I341 HydrophobicContact CG-CG2 3.78Å; M305-I341 HydrophobicContact SD-CG2 4.12Å; M305-M345 HydrophobicContact CB-CE 4.25Å; M305-M345 HydrophobicContact CG-CE 3.95Å
306T97.3Very high95Very high23 Ų2328.5 Ų28.514%0.14119%0.185CC..THydrogen-bonded Turntrans-105.19.5175.659.90000113.1Y302 E303 I304 G308 S309 P334Y302-T306 HydrophobicContact CD1-CG2 4.14Å; Y302-T306 HydrophobicContact CD2-CG2 4.48Å; Y302-T306 HydrophobicContact CE1-CG2 3.8Å; Y302-T306 HydrophobicContact CE2-CG2 4.16Å; Y302-T306 HydrophobicContact CG-CG2 4.46Å; Y302-T306 WeakPolarHBondContact O-CB 3.48Å; Y302-T306 VanDerWaalsContact O-CG2 3.26Å; Y302-T306 WeakPolarHBondContact O-CG2 3.46Å; Y302-T306 PolarHBondContact O-N 2.95Å; Y302-T306 PolarHBondContact O-OG1 3.47Å; E303-T306 CarbonylContact O-C 3.58Å; E303-T306 PolarHBondContact O-N 3.15Å; E303-T306 PolarHBondContact O-OG1 2.83Å; I304-T306 PolarHBondContact O-N 3.45Å; T306-G308 VanDerWaalsContact C-N 3.27Å; T306-G308 PolarHBondContact O-N 3.08Å; T306-S309 PolarHBondContact O-N 3.3Å; T306-S309 PolarHBondContact O-OG 3.49Å; T306-S309 VanDerWaalsContact O-OG 3.05Å; T306-S309 WeakPolarHBondContact OG1-CB 3.43Å; T306-S309 PolarHBondContact OG1-N 2.79Å; T306-P334 HydrophobicContact CG2-CB 3.57Å; T306-P334 HydrophobicContact CG2-CG 3.77Å
307Y97.9Very high94.6Very high64 Ų6432.2 Ų32.225%0.25121%0.205SC..THydrogen-bonded Turntrans53.243.1-176.7-58.3-101.2000113.4G205 Q208 L213 E303 I304G205-Y307 VanDerWaalsContact O-CD1 3.32Å; G205-Y307 WeakPolarHBondContact O-CD1 3.36Å; G205-Y307 VanDerWaalsContact O-CE1 3.23Å; G205-Y307 WeakPolarHBondContact O-CE1 3.45Å; Q208-Y307 PolarHBondContact O-OH 3.17Å; L213-Y307 HydrophobicContact CD1-CE1 3.87Å; L213-Y307 HydrophobicContact CD1-CE2 4.06Å; L213-Y307 HydrophobicContact CD2-CE1 4.38Å; E303-Y307 PolarHBondContact O-N 2.96Å; E303-Y307 VanDerWaalsContact O-N 3.12Å; I304-Y307 PolarHBondContact O-N 3.09Å; I304-Y307 VanDerWaalsContact O-N 3.12Å
308G96.9Very high94.2Very high2 Ų235.8 Ų35.82%0.02122%0.224CC..SBendtrans84.828175.800000114.1R201 E303 T306R201-G308 VanDerWaalsContact CZ-O 3.24Å; R201-G308 PolarHBondContact NE-O 3.08Å; R201-G308 PolarHBondContact NH2-O 3.39Å; E303-G308 PolarHBondContact O-N 3.46Å; T306-G308 VanDerWaalsContact C-N 3.27Å; T306-G308 PolarHBondContact O-N 3.08Å
309S95.6Very high93.8Very high58 Ų5844.9 Ų44.941%0.40626%0.258SS..PPolyproline II helixtrans-67152.6171.6-63.90000110.9T306T306-S309 PolarHBondContact O-N 3.3Å; T306-S309 PolarHBondContact O-OG 3.49Å; T306-S309 VanDerWaalsContact O-OG 3.05Å; T306-S309 WeakPolarHBondContact OG1-CB 3.43Å; T306-S309 PolarHBondContact OG1-N 2.79Å
310V93.8Very high93.6Very high84 Ų8448.5 Ų48.551%0.50928%0.275SS..PPolyproline II helixtrans-68.8130.9178.9177.30000109.4K276K276-V310 HydrophobicContact CD-CG1 4.39Å
311P95.8Very high93.2Very high1 Ų148.6 Ų48.61%0.00628%0.276CS..SBendtrans-62.6148.4176.9-24.334.1000113.2K276 W277 V299 E303 M331K276-P311 HydrophobicContact CB-CB 4.39Å; K276-P311 WeakPolarHBondContact CD-O 3.35Å; K276-P311 PolarHBondContact NZ-O 3.08Å; W277-P311 HydrophobicContact CH2-CG 4.29Å; W277-P311 HydrophobicContact CZ2-CG 3.7Å; V299-P311 HydrophobicContact CG1-CB 3.75Å; V299-P311 HydrophobicContact CG1-CG 3.51Å; E303-P311 HydrophobicContact CG-CG 4.09Å; P311-M331 HydrophobicContact CB-CE 4.31Å; P311-M331 HydrophobicContact CB-SD 4.17Å
312Y94.7Very high93Very high12 Ų1250.4 Ų50.45%0.04728%0.283CS..SBendtrans64.7151.1-174.8-53.8-84.7000114.2K276 V321 V325 Y329 M331K276-Y312 HydrophobicContact CB-CD2 3.98Å; K276-Y312 HydrophobicContact CB-CE2 3.94Å; K276-Y312 HydrophobicContact CD-CD2 4.29Å; K276-Y312 HydrophobicContact CG-CD2 3.92Å; K276-Y312 HydrophobicContact CG-CE2 4.27Å; K276-Y312 VanDerWaalsContact O-CE2 3.23Å; K276-Y312 WeakPolarHBondContact O-CE2 3.28Å; Y312-V321 HydrophobicContact CD1-CG1 3.96Å; Y312-V321 HydrophobicContact CD2-CG1 3.58Å; Y312-V321 HydrophobicContact CD2-CG2 4.08Å; Y312-V321 HydrophobicContact CE1-CG1 3.87Å; Y312-V321 HydrophobicContact CE2-CG1 3.44Å; Y312-V321 VanDerWaalsContact CE2-CG1 3.44Å; Y312-V321 HydrophobicContact CG-CG1 3.83Å; Y312-V321 HydrophobicContact CG-CG2 3.98Å; Y312-V325 HydrophobicContact CE1-CG2 3.67Å; Y312-Y329 HydrophobicContact CD1-CE1 4.01Å; Y312-Y329 HydrophobicContact CE1-CE1 4.43Å; Y312-M331 HydrophobicContact CD1-CG 3.85Å; Y312-M331 HydrophobicContact CD1-SD 4.09Å; Y312-M331 HydrophobicContact CD2-SD 4.46Å; Y312-M331 HydrophobicContact CE1-CG 4.05Å; Y312-M331 HydrophobicContact CE1-SD 4.34Å; Y312-M331 HydrophobicContact CG-CG 4.44Å; Y312-M331 HydrophobicContact CG-SD 4.15Å; Y312-M331 PolarHBondContact N-SD 3.27Å
313P85.5Confident92.8Very high57 Ų5752.1 Ų52.137%0.3730%0.295SS..  trans-51144.6177.3-2835.3000113.1F316 Y329P313-F316 HydrophobicContact CB-CD2 4.33Å; P313-F316 HydrophobicContact CB-CE2 4.09Å; P313-F316 HydrophobicContact CG-CD2 4.48Å; P313-F316 HydrophobicContact CG-CE2 4.03Å; P313-Y329 WeakPolarHBondContact CD-OH 3.33Å; P313-Y329 WeakPolarHBondContact CG-OH 3.49Å
314A84.2Confident92.6Very high104 Ų10456.8 Ų56.886%0.8632%0.315SS*.THydrogen-bonded Turntrans-57.8145.8174.900000110.9
315G80.6Confident92.5Very high73 Ų7357.2 Ų57.275%0.75332%0.318SS*.THydrogen-bonded Turntrans95.9-16-179.800000115
316F87Confident92.3Very high61 Ų6163 Ų6327%0.26834%0.343SS..  trans-82.7123.2173.2-62.3-25.4000112.4P313 E320 V321 K324P313-F316 HydrophobicContact CB-CD2 4.33Å; P313-F316 HydrophobicContact CB-CE2 4.09Å; P313-F316 HydrophobicContact CG-CD2 4.48Å; P313-F316 HydrophobicContact CG-CE2 4.03Å; F316-E320 WeakPolarHBondContact CA-OE2 3.43Å; F316-E320 HydrophobicContact CB-CB 4.15Å; F316-E320 HydrophobicContact CD1-CB 4.34Å; F316-E320 HydrophobicContact CG-CB 4.43Å; F316-V321 HydrophobicContact CB-CG2 3.72Å; F316-K324 HydrophobicContact CE2-CG 4.4Å
317N90.4Very high92.2Very high83 Ų8367.1 Ų67.144%0.44437%0.372SS..  trans-77.7169.8165.871.555.3000111.4R319 E320 V321N317-R319 VanDerWaalsContact C-N 3.25Å; N317-R319 PolarHBondContact O-N 3.23Å; N317-R319 WeakPolarHBondContact OD1-CA 3.32Å; N317-R319 WeakPolarHBondContact OD1-CB 3.44Å; N317-R319 PolarHBondContact OD1-N 3.4Å; N317-E320 VanDerWaalsContact CG-OE2 3.28Å; N317-E320 PolarHBondContact N-OE2 3.25Å; N317-E320 PolarHBondContact ND2-OE2 2.95Å; N317-E320 PolarHBondContact O-N 3.49Å; N317-E320 VanDerWaalsContact O-N 3.09Å; N317-E320 PolarHBondContact OD1-N 2.92Å; N317-V321 WeakPolarHBondContact O-CG2 3.44Å; N317-V321 PolarHBondContact O-N 3.31Å
318N91Very high92.1Very high76 Ų7666.4 Ų66.441%0.40638%0.384SS..Hα-helixtrans-55.1-36.9-176.4-72.8-6.2000114Y275 Y322Y275-N318 HydrophobicContact CD1-CB 3.88Å; Y275-N318 HydrophobicContact CD2-CB 4.07Å; Y275-N318 HydrophobicContact CG-CB 3.65Å; N318-Y322 PolarHBondContact O-N 3.13Å; N318-Y322 VanDerWaalsContact O-N 3.15Å
319R90.2Very high92Very high190 Ų19069.3 Ų69.372%0.71740%0.395SS*.Hα-helixtrans-72.5-39.4179.5-174.4178.9-179.8-174.4-1.1111.4N317 Y322 N323N317-R319 VanDerWaalsContact C-N 3.25Å; N317-R319 PolarHBondContact O-N 3.23Å; N317-R319 WeakPolarHBondContact OD1-CA 3.32Å; N317-R319 WeakPolarHBondContact OD1-CB 3.44Å; N317-R319 PolarHBondContact OD1-N 3.4Å; R319-Y322 PolarHBondContact O-N 3.43Å; R319-N323 WeakPolarHBondContact O-CB 3.36Å; R319-N323 VanDerWaalsContact O-CG 3.26Å; R319-N323 PolarHBondContact O-N 3Å; R319-N323 PolarHBondContact O-ND2 3.17Å
320E92.9Very high92.1Very high77 Ų7769 Ų6936%0.3638%0.384SS..Hα-helixtrans-66.3-43.4176.7-69.9167.7152.100111.6F316 N317 Y322 N323 K324F316-E320 WeakPolarHBondContact CA-OE2 3.43Å; F316-E320 HydrophobicContact CB-CB 4.15Å; F316-E320 HydrophobicContact CD1-CB 4.34Å; F316-E320 HydrophobicContact CG-CB 4.43Å; N317-E320 VanDerWaalsContact CG-OE2 3.28Å; N317-E320 PolarHBondContact N-OE2 3.25Å; N317-E320 PolarHBondContact ND2-OE2 2.95Å; N317-E320 PolarHBondContact O-N 3.49Å; N317-E320 VanDerWaalsContact O-N 3.09Å; N317-E320 PolarHBondContact OD1-N 2.92Å; E320-Y322 PolarHBondContact O-N 2.97Å; E320-N323 PolarHBondContact O-N 2.89Å; E320-K324 WeakPolarHBondContact O-CB 3.38Å; E320-K324 WeakPolarHBondContact O-CG 3.39Å; E320-K324 PolarHBondContact O-N 2.9Å
321V92.4Very high92.3Very high1 Ų165.2 Ų65.21%0.00636%0.361CS..Hα-helixtrans-55.3-51.9173.3170.80000110.4K276 Y312 F316 N317 N323 K324 V325K276-V321 HydrophobicContact CG-CG2 4.5Å; Y312-V321 HydrophobicContact CD1-CG1 3.96Å; Y312-V321 HydrophobicContact CD2-CG1 3.58Å; Y312-V321 HydrophobicContact CD2-CG2 4.08Å; Y312-V321 HydrophobicContact CE1-CG1 3.87Å; Y312-V321 HydrophobicContact CE2-CG1 3.44Å; Y312-V321 VanDerWaalsContact CE2-CG1 3.44Å; Y312-V321 HydrophobicContact CG-CG1 3.83Å; Y312-V321 HydrophobicContact CG-CG2 3.98Å; F316-V321 HydrophobicContact CB-CG2 3.72Å; N317-V321 WeakPolarHBondContact O-CG2 3.44Å; N317-V321 PolarHBondContact O-N 3.31Å; V321-N323 PolarHBondContact O-N 3.48Å; V321-K324 PolarHBondContact O-N 3Å; V321-V325 HydrophobicContact CG1-CG2 4.38Å; V321-V325 WeakPolarHBondContact O-CB 3.5Å; V321-V325 VanDerWaalsContact O-CG2 3.32Å; V321-V325 WeakPolarHBondContact O-CG2 3.41Å; V321-V325 PolarHBondContact O-N 3.4Å
322Y93.5Very high92.3Very high39 Ų3972.6 Ų72.615%0.15340%0.396CS..Hα-helixtrans-57.3-48.1178.7171-102.6000112.2P280 I283 S284 N318 R319 E320 K324 V325 K326P280-Y322 HydrophobicContact CB-CE2 4.36Å; I283-Y322 HydrophobicContact CB-CD2 3.95Å; I283-Y322 HydrophobicContact CB-CE2 4.15Å; I283-Y322 HydrophobicContact CD1-CD2 4.02Å; I283-Y322 HydrophobicContact CG2-CD2 3.57Å; I283-Y322 HydrophobicContact CG2-CE2 3.94Å; I283-Y322 HydrophobicContact CG2-CG 4.11Å; S284-Y322 WeakPolarHBondContact CB-OH 3.26Å; N318-Y322 PolarHBondContact O-N 3.13Å; N318-Y322 VanDerWaalsContact O-N 3.15Å; R319-Y322 PolarHBondContact O-N 3.43Å; E320-Y322 PolarHBondContact O-N 2.97Å; Y322-K324 PolarHBondContact O-N 3.37Å; Y322-V325 PolarHBondContact O-N 3.39Å; Y322-K326 HydrophobicContact CE1-CD 4.17Å; Y322-K326 WeakPolarHBondContact O-CB 3.23Å; Y322-K326 PolarHBondContact O-N 3.44Å
323N94.5Very high92.4Very high75 Ų7574.5 Ų74.540%0.40141%0.414SS..Hα-helixtrans-62.5-43.6-179.9-72.1-19.9000112R319 E320 V321 K326 S327R319-N323 WeakPolarHBondContact O-CB 3.36Å; R319-N323 VanDerWaalsContact O-CG 3.26Å; R319-N323 PolarHBondContact O-N 3Å; R319-N323 PolarHBondContact O-ND2 3.17Å; E320-N323 PolarHBondContact O-N 2.89Å; V321-N323 PolarHBondContact O-N 3.48Å; N323-K326 PolarHBondContact O-N 2.97Å; N323-S327 PolarHBondContact O-N 3.33Å; N323-S327 PolarHBondContact O-OG 3.44Å
324K94.1Very high92.8Very high101 Ų10172.5 Ų72.544%0.43940%0.401SS..Hα-helixtrans-61.1-49.1176.9-75.4-74.8-174.41770111.3F316 E320 V321 Y322 K326 S327 G328 Y329F316-K324 HydrophobicContact CE2-CG 4.4Å; E320-K324 WeakPolarHBondContact O-CB 3.38Å; E320-K324 WeakPolarHBondContact O-CG 3.39Å; E320-K324 PolarHBondContact O-N 2.9Å; V321-K324 PolarHBondContact O-N 3Å; Y322-K324 PolarHBondContact O-N 3.37Å; K324-K326 VanDerWaalsContact C-N 3.3Å; K324-K326 PolarHBondContact O-N 2.79Å; K324-S327 CarbonylContact O-C 3.54Å; K324-S327 PolarHBondContact O-N 3.42Å; K324-S327 VanDerWaalsContact O-N 3.1Å; K324-G328 PolarHBondContact O-N 3.07Å; K324-Y329 HydrophobicContact CB-CD1 4.28Å; K324-Y329 HydrophobicContact CB-CG 4.3Å; K324-Y329 WeakPolarHBondContact O-CB 3.42Å; K324-Y329 PolarHBondContact O-N 3.12Å
325V95.8Very high93.1Very high10 Ų1072.7 Ų72.76%0.06140%0.397CS..Hα-helixtrans-58.5-43.3178.4166.70000111.2P280 W295 Y312 V321 Y322 S327 G328 R330P280-V325 HydrophobicContact CB-CG1 4.39Å; P280-V325 HydrophobicContact CG-CG1 4.42Å; W295-V325 HydrophobicContact CH2-CG1 3.46Å; W295-V325 VanDerWaalsContact CH2-CG1 3.46Å; W295-V325 HydrophobicContact CZ2-CG1 3.47Å; W295-V325 VanDerWaalsContact CZ2-CG1 3.47Å; W295-V325 HydrophobicContact CZ2-CG2 4.44Å; Y312-V325 HydrophobicContact CE1-CG2 3.67Å; V321-V325 HydrophobicContact CG1-CG2 4.38Å; V321-V325 WeakPolarHBondContact O-CB 3.5Å; V321-V325 VanDerWaalsContact O-CG2 3.32Å; V321-V325 WeakPolarHBondContact O-CG2 3.41Å; V321-V325 PolarHBondContact O-N 3.4Å; Y322-V325 PolarHBondContact O-N 3.39Å; V325-S327 VanDerWaalsContact C-N 3.3Å; V325-S327 PolarHBondContact O-N 2.98Å; V325-G328 PolarHBondContact O-N 2.66Å; V325-G328 VanDerWaalsContact O-N 3.07Å; V325-R330 PolarHBondContact O-NH1 3.44Å
326K93.9Very high93.4Very high133 Ų13378.9 Ų78.958%0.57840%0.402SS*.Hα-helixtrans-64.5-32.4176.6-170.5179.1-174.9174.10112.7Y322 N323 K324 G328Y322-K326 HydrophobicContact CE1-CD 4.17Å; Y322-K326 WeakPolarHBondContact O-CB 3.23Å; Y322-K326 PolarHBondContact O-N 3.44Å; N323-K326 PolarHBondContact O-N 2.97Å; K324-K326 VanDerWaalsContact C-N 3.3Å; K324-K326 PolarHBondContact O-N 2.79Å; K326-G328 PolarHBondContact O-N 3.2Å
327S95.3Very high93.7Very high109 Ų10976.9 Ų76.976%0.76240%0.396SS*.THydrogen-bonded Turntrans-8111.7173.3-60.20000113.9N323 K324 V325N323-S327 PolarHBondContact O-N 3.33Å; N323-S327 PolarHBondContact O-OG 3.44Å; K324-S327 CarbonylContact O-C 3.54Å; K324-S327 PolarHBondContact O-N 3.42Å; K324-S327 VanDerWaalsContact O-N 3.1Å; V325-S327 VanDerWaalsContact C-N 3.3Å; V325-S327 PolarHBondContact O-N 2.98Å
328G95.4Very high93.8Very high48 Ų4874 Ų7450%0.49538%0.382SS..THydrogen-bonded Turntrans92.3-0.517500000115.4K324 V325 K326 R330K324-G328 PolarHBondContact O-N 3.07Å; V325-G328 PolarHBondContact O-N 2.66Å; V325-G328 VanDerWaalsContact O-N 3.07Å; K326-G328 PolarHBondContact O-N 3.2Å; G328-R330 PolarHBondContact O-N 3.13Å
329Y96.3Very high94Very high64 Ų6475.1 Ų75.125%0.25140%0.395SS..  trans-62.9138176.2174.5-96000111.4Y312 P313 K324 M331Y312-Y329 HydrophobicContact CD1-CE1 4.01Å; Y312-Y329 HydrophobicContact CE1-CE1 4.43Å; P313-Y329 WeakPolarHBondContact CD-OH 3.33Å; P313-Y329 WeakPolarHBondContact CG-OH 3.49Å; K324-Y329 HydrophobicContact CB-CD1 4.28Å; K324-Y329 HydrophobicContact CB-CG 4.3Å; K324-Y329 WeakPolarHBondContact O-CB 3.42Å; K324-Y329 PolarHBondContact O-N 3.12Å; Y329-M331 HydrophobicContact CE1-CG 4.3Å
330R97.3Very high94.2Very high50 Ų5068 Ų6819%0.18937%0.37CS..  trans-131.4150.6169.5-61.1-60.4-180-92.11.4109.1V325 G328 L346 W349V325-R330 PolarHBondContact O-NH1 3.44Å; G328-R330 PolarHBondContact O-N 3.13Å; R330-L346 HydrophobicContact CB-CD2 3.83Å; R330-L346 HydrophobicContact CG-CD2 4.19Å; R330-W349 HydrophobicContact CB-CE3 4.19Å; R330-W349 VanDerWaalsContact CZ-O 3.24Å; R330-W349 PolarHBondContact NE-O 3.06Å; R330-W349 PolarHBondContact NH2-O 2.91Å
331M97.1Very high94.4Very high5 Ų564.3 Ų64.33%0.02535%0.353CS..PPolyproline II helixtrans-63.6140.5179.8-69.9-175.9-74.700110.7V299 Y302 P311 Y312 Y329 H342 W349V299-M331 HydrophobicContact CG1-CE 4.44Å; V299-M331 HydrophobicContact CG2-CE 4.39Å; Y302-M331 HydrophobicContact CD1-CE 4.26Å; Y302-M331 HydrophobicContact CD1-SD 4.06Å; Y302-M331 HydrophobicContact CD2-CB 4.16Å; Y302-M331 HydrophobicContact CD2-CE 4.09Å; Y302-M331 HydrophobicContact CD2-SD 3.95Å; Y302-M331 HydrophobicContact CE1-SD 4.03Å; Y302-M331 HydrophobicContact CE2-CB 4.03Å; Y302-M331 HydrophobicContact CE2-SD 3.92Å; Y302-M331 HydrophobicContact CG-CE 3.88Å; Y302-M331 HydrophobicContact CG-SD 4.03Å; P311-M331 HydrophobicContact CB-CE 4.31Å; P311-M331 HydrophobicContact CB-SD 4.17Å; Y312-M331 HydrophobicContact CD1-CG 3.85Å; Y312-M331 HydrophobicContact CD1-SD 4.09Å; Y312-M331 HydrophobicContact CD2-SD 4.46Å; Y312-M331 HydrophobicContact CE1-CG 4.05Å; Y312-M331 HydrophobicContact CE1-SD 4.34Å; Y312-M331 HydrophobicContact CG-CG 4.44Å; Y312-M331 HydrophobicContact CG-SD 4.15Å; Y312-M331 PolarHBondContact N-SD 3.27Å; Y329-M331 HydrophobicContact CE1-CG 4.3Å; M331-H342 PolarHBondContact O-NE2 2.64Å; M331-H342 VanDerWaalsContact O-NE2 3.09Å; M331-W349 HydrophobicContact CB-CH2 4.03Å; M331-W349 HydrophobicContact CB-CZ3 4.1Å; M331-W349 HydrophobicContact CE-CH2 3.55Å; M331-W349 HydrophobicContact CE-CZ2 3.45Å; M331-W349 VanDerWaalsContact CE-CZ2 3.45Å; M331-W349 HydrophobicContact CE-CZ3 4.5Å
332E96Very high94.6Very high156 Ų15665.9 Ų65.973%0.72936%0.36SS*.PPolyproline II helixtrans-65.7159.6174.1-63.9-178.217800111P334E332-P334 WeakPolarHBondContact O-CD 2.98Å
333A95.9Very high94.8Very high53 Ų5366.8 Ų66.844%0.43837%0.372SS..PPolyproline II helixtrans-60.3128.617600000109.9H342A333-H342 VanDerWaalsContact CA-CD2 3.44Å; A333-H342 WeakPolarHBondContact CA-CD2 3.44Å; A333-H342 HydrophobicContact CB-CB 4.02Å; A333-H342 PolarHBondContact N-NE2 3.2Å
334P94.3Very high95Very high14 Ų1463.6 Ų63.69%0.09136%0.355CS..PPolyproline II helixtrans-58.4153.8173.3-23.131.7000112.5Y302 M305 T306 E332 K336 C337 M345Y302-P334 HydrophobicContact CD2-CG 3.74Å; Y302-P334 HydrophobicContact CE2-CG 3.86Å; M305-P334 HydrophobicContact CB-CB 4.34Å; M305-P334 HydrophobicContact CB-CG 4.09Å; T306-P334 HydrophobicContact CG2-CB 3.57Å; T306-P334 HydrophobicContact CG2-CG 3.77Å; E332-P334 WeakPolarHBondContact O-CD 2.98Å; P334-K336 PolarHBondContact O-N 3.24Å; P334-C337 HydrophobicContact CB-CB 3.85Å; P334-C337 HydrophobicContact CG-CB 4.08Å; P334-C337 WeakPolarHBondContact O-CB 3.29Å; P334-C337 PolarHBondContact O-N 3.15Å; P334-M345 HydrophobicContact CG-CE 4.42Å
335S90.9Very high95.2Very high109 Ų10958.8 Ų58.876%0.76233%0.334SS*.THydrogen-bonded Turntrans-57.5132.4173.5-169.10000110.3C337S335-C337 PolarHBondContact O-N 3.03Å; S335-C337 VanDerWaalsContact O-N 3.15Å
336K86.8Confident95.4Very high202 Ų20261.3 Ų61.388%0.87835%0.347SS*.THydrogen-bonded Turntrans62.510-177.1-51.4176.7179.6178.30115.3P334P334-K336 PolarHBondContact O-N 3.24Å
337C93.4Very high95.6Very high19 Ų1959.9 Ų59.913%0.12834%0.341CS..  trans-70.9128.2172.3-175.70000110.3M305 P334 S335 S339M305-C337 HydrophobicContact CB-CB 4.45Å; P334-C337 HydrophobicContact CB-CB 3.85Å; P334-C337 HydrophobicContact CG-CB 4.08Å; P334-C337 WeakPolarHBondContact O-CB 3.29Å; P334-C337 PolarHBondContact O-N 3.15Å; S335-C337 PolarHBondContact O-N 3.03Å; S335-C337 VanDerWaalsContact O-N 3.15Å; C337-S339 PolarHBondContact O-N 2.92Å
338P93.6Very high95.8Very high24 Ų2454.7 Ų54.716%0.15630%0.304CS..  trans-58138.5171.6-23.934.2000111.7F340 I341 H342P338-F340 HydrophobicContact CB-CD1 3.56Å; P338-F340 HydrophobicContact CB-CE1 3.27Å; P338-F340 HydrophobicContact CB-CG 4.47Å; P338-F340 HydrophobicContact CB-CZ 3.98Å; P338-F340 HydrophobicContact CG-CE1 4.01Å; P338-F340 HydrophobicContact CG-CZ 4.4Å; P338-F340 PolarHBondContact O-N 3.17Å; P338-I341 HydrophobicContact CB-CG1 4.22Å; P338-I341 HydrophobicContact CG-CG1 4.35Å; P338-I341 WeakPolarHBondContact O-CB 3.33Å; P338-I341 PolarHBondContact O-N 3.44Å; P338-H342 PolarHBondContact O-N 3.26Å
339S94.1Very high95.9Very high98 Ų9852.6 Ų52.669%0.68528%0.281SS*.Hα-helixtrans-58.7-33.4-176.155.50000113.4C337 I341 H342 S343C337-S339 PolarHBondContact O-N 2.92Å; S339-I341 VanDerWaalsContact C-N 3.35Å; S339-H342 PolarHBondContact O-N 3.09Å; S339-S343 WeakPolarHBondContact O-CB 3.36Å; S339-S343 PolarHBondContact O-N 3.44Å; S339-S343 PolarHBondContact O-OG 3.23Å
340F94.2Very high96Very high40 Ų4053.3 Ų53.318%0.17529%0.287CS..Hα-helixtrans-67.1-35.6177.174.6-96.4000112I214 P338 S343 I344 S369 L373I214-F340 HydrophobicContact CD1-CE2 4.33Å; I214-F340 HydrophobicContact CD1-CZ 3.66Å; P338-F340 HydrophobicContact CB-CD1 3.56Å; P338-F340 HydrophobicContact CB-CE1 3.27Å; P338-F340 HydrophobicContact CB-CG 4.47Å; P338-F340 HydrophobicContact CB-CZ 3.98Å; P338-F340 HydrophobicContact CG-CE1 4.01Å; P338-F340 HydrophobicContact CG-CZ 4.4Å; P338-F340 PolarHBondContact O-N 3.17Å; F340-S343 WeakPolarHBondContact O-CB 3.47Å; F340-S343 PolarHBondContact O-N 3.26Å; F340-I344 HydrophobicContact CD2-CD1 4.31Å; F340-I344 WeakPolarHBondContact O-CG1 3.41Å; F340-I344 PolarHBondContact O-N 3.04Å; F340-S369 VanDerWaalsContact CD2-OG 3.26Å; F340-S369 WeakPolarHBondContact CD2-OG 3.26Å; F340-S369 WeakPolarHBondContact CE2-OG 3.23Å; F340-L373 HydrophobicContact CE1-CD1 4.15Å; F340-L373 HydrophobicContact CE1-CG 4.4Å; F340-L373 HydrophobicContact CZ-CD1 4Å
341I97.1Very high96Very high0 Ų056.6 Ų56.60%031%0.305CS..Hα-helixtrans-66.1-45.4175.9-67.5-62.9000110.1I214 M305 P338 S339 S343 I344 M345 L366I214-I341 HydrophobicContact CD1-CD1 4.24Å; I214-I341 HydrophobicContact CD1-CG1 4.29Å; I214-I341 HydrophobicContact CG1-CD1 3.9Å; I214-I341 HydrophobicContact CG1-CG1 4.28Å; M305-I341 HydrophobicContact CE-CD1 4.2Å; M305-I341 HydrophobicContact CE-CG1 4.05Å; M305-I341 HydrophobicContact CE-CG2 3.92Å; M305-I341 HydrophobicContact CG-CG2 3.78Å; M305-I341 HydrophobicContact SD-CG2 4.12Å; P338-I341 HydrophobicContact CB-CG1 4.22Å; P338-I341 HydrophobicContact CG-CG1 4.35Å; P338-I341 WeakPolarHBondContact O-CB 3.33Å; P338-I341 PolarHBondContact O-N 3.44Å; S339-I341 VanDerWaalsContact C-N 3.35Å; I341-S343 VanDerWaalsContact C-N 3.26Å; I341-S343 PolarHBondContact O-N 3.07Å; I341-I344 HydrophobicContact CD1-CD1 4.45Å; I341-I344 WeakPolarHBondContact O-CB 3.47Å; I341-I344 PolarHBondContact O-N 3.49Å; I341-I344 VanDerWaalsContact O-N 3.1Å; I341-M345 HydrophobicContact CG2-CE 3.79Å; I341-M345 WeakPolarHBondContact O-CG 3.49Å; I341-M345 PolarHBondContact O-N 3.09Å; I341-L366 HydrophobicContact CD1-CD2 3.54Å
342H97.7Very high96Very high34 Ų3460.6 Ų60.616%0.15732%0.323CS..Hα-helixtrans-62-36.9174.9-175.7-115.5000112M331 A333 P338 S339 I344 M345 L346M331-H342 PolarHBondContact O-NE2 2.64Å; M331-H342 VanDerWaalsContact O-NE2 3.09Å; A333-H342 VanDerWaalsContact CA-CD2 3.44Å; A333-H342 WeakPolarHBondContact CA-CD2 3.44Å; A333-H342 HydrophobicContact CB-CB 4.02Å; A333-H342 PolarHBondContact N-NE2 3.2Å; P338-H342 PolarHBondContact O-N 3.26Å; S339-H342 PolarHBondContact O-N 3.09Å; H342-I344 VanDerWaalsContact C-N 3.31Å; H342-I344 PolarHBondContact O-N 3.21Å; H342-M345 WeakPolarHBondContact O-CB 3.46Å; H342-M345 PolarHBondContact O-N 2.94Å; H342-L346 WeakPolarHBondContact O-CG 3.46Å; H342-L346 PolarHBondContact O-N 3.17Å
343S98Very high96.1Very high59 Ų5954.6 Ų54.641%0.41330%0.298SS..Hα-helixtrans-61.4-38.7173.2-57.90000112.3S339 F340 I341 L346 K347S339-S343 WeakPolarHBondContact O-CB 3.36Å; S339-S343 PolarHBondContact O-N 3.44Å; S339-S343 PolarHBondContact O-OG 3.23Å; F340-S343 WeakPolarHBondContact O-CB 3.47Å; F340-S343 PolarHBondContact O-N 3.26Å; I341-S343 VanDerWaalsContact C-N 3.26Å; I341-S343 PolarHBondContact O-N 3.07Å; S343-L346 PolarHBondContact O-N 3.27Å; S343-K347 WeakPolarHBondContact O-CG 3.32Å; S343-K347 PolarHBondContact O-N 3.39Å; S343-K347 VanDerWaalsContact O-N 3.12Å
344I98.5Very high96.1Very high7 Ų758.3 Ų58.34%0.03631%0.306CS..Hα-helixtrans-64.2-45.2172.7-66.9167.9000110.5L301 F340 I341 H342 L346 K347 C348 L362 M365 L366L301-I344 HydrophobicContact CD1-CB 4.44Å; L301-I344 HydrophobicContact CD1-CG2 3.72Å; F340-I344 HydrophobicContact CD2-CD1 4.31Å; F340-I344 WeakPolarHBondContact O-CG1 3.41Å; F340-I344 PolarHBondContact O-N 3.04Å; I341-I344 HydrophobicContact CD1-CD1 4.45Å; I341-I344 WeakPolarHBondContact O-CB 3.47Å; I341-I344 PolarHBondContact O-N 3.49Å; I341-I344 VanDerWaalsContact O-N 3.1Å; H342-I344 VanDerWaalsContact C-N 3.31Å; H342-I344 PolarHBondContact O-N 3.21Å; I344-L346 VanDerWaalsContact C-N 3.3Å; I344-L346 PolarHBondContact O-N 2.91Å; I344-K347 WeakPolarHBondContact O-CB 3.43Å; I344-K347 PolarHBondContact O-N 3Å; I344-C348 PolarHBondContact O-N 3.3Å; I344-C348 PolarHBondContact O-SG 3.42Å; I344-L362 HydrophobicContact CG2-CD2 3.5Å; I344-M365 HydrophobicContact CD1-CB 3.93Å; I344-M365 HydrophobicContact CG1-CB 4.37Å; I344-M365 HydrophobicContact CG1-SD 4.29Å; I344-L366 HydrophobicContact CD1-CD2 3.87Å; I344-L366 HydrophobicContact CD1-CG 4.29Å
345M98.7Very high96.3Very high0 Ų062.5 Ų62.50%033%0.328CS..Hα-helixtrans-55.7-45175.8-63.3169.3178.500111.8L301 M305 P334 I341 H342 K347 C348 W349L301-M345 HydrophobicContact CB-CE 3.68Å; L301-M345 HydrophobicContact CB-CG 3.94Å; L301-M345 HydrophobicContact CD1-CG 4.13Å; L301-M345 WeakPolarHBondContact O-CE 3.41Å; M305-M345 HydrophobicContact CB-CE 4.25Å; M305-M345 HydrophobicContact CG-CE 3.95Å; P334-M345 HydrophobicContact CG-CE 4.42Å; I341-M345 HydrophobicContact CG2-CE 3.79Å; I341-M345 WeakPolarHBondContact O-CG 3.49Å; I341-M345 PolarHBondContact O-N 3.09Å; H342-M345 WeakPolarHBondContact O-CB 3.46Å; H342-M345 PolarHBondContact O-N 2.94Å; M345-K347 VanDerWaalsContact C-N 3.3Å; M345-K347 PolarHBondContact O-N 3.4Å; M345-C348 WeakPolarHBondContact O-CB 3.34Å; M345-C348 PolarHBondContact O-N 3.4Å; M345-C348 VanDerWaalsContact O-N 3.13Å; M345-W349 HydrophobicContact CB-CE3 4.11Å; M345-W349 HydrophobicContact CB-CH2 3.72Å; M345-W349 HydrophobicContact CB-CZ2 4.17Å; M345-W349 HydrophobicContact CB-CZ3 3.71Å; M345-W349 HydrophobicContact CG-CH2 4.2Å; M345-W349 VanDerWaalsContact O-CD2 3.27Å; M345-W349 PolarHBondContact O-N 2.92Å; M345-W349 HydrophobicContact SD-CH2 4.1Å
346L98.7Very high96.7Very high63 Ų6357.5 Ų57.533%0.3329%0.292SS..Hα-helixtrans-65.6-30.9178.2-67.9174.4000113R330 H342 S343 I344 W349 Q350R330-L346 HydrophobicContact CB-CD2 3.83Å; R330-L346 HydrophobicContact CG-CD2 4.19Å; H342-L346 WeakPolarHBondContact O-CG 3.46Å; H342-L346 PolarHBondContact O-N 3.17Å; S343-L346 PolarHBondContact O-N 3.27Å; I344-L346 VanDerWaalsContact C-N 3.3Å; I344-L346 PolarHBondContact O-N 2.91Å; L346-W349 HydrophobicContact CD2-CE3 4.34Å; L346-W349 PolarHBondContact O-N 2.93Å; L346-Q350 PolarHBondContact O-NE2 2.82Å
347K98.7Very high97.3Very high104 Ų10448.6 Ų48.645%0.45226%0.255SS..Hα-helixtrans-68.7-39.2170.7-71.4171.5-179.3-720111.6S343 I344 M345 W349 Q350 P357 M365S343-K347 WeakPolarHBondContact O-CG 3.32Å; S343-K347 PolarHBondContact O-N 3.39Å; S343-K347 VanDerWaalsContact O-N 3.12Å; I344-K347 WeakPolarHBondContact O-CB 3.43Å; I344-K347 PolarHBondContact O-N 3Å; M345-K347 VanDerWaalsContact C-N 3.3Å; M345-K347 PolarHBondContact O-N 3.4Å; K347-W349 VanDerWaalsContact C-N 3.26Å; K347-W349 PolarHBondContact O-N 3.38Å; K347-Q350 WeakPolarHBondContact O-CG 3.5Å; K347-P357 HydrophobicContact CB-CG 4.3Å; K347-P357 WeakPolarHBondContact O-CD 3.42Å; K347-M365 HydrophobicContact CD-SD 4.17Å
348C98.8Very high97.5Very high0 Ų049.7 Ų49.70%026%0.261CS..Hα-helixtrans-63.4-33.4173.8-66.40000112.5V294 I344 M345 R356V294-C348 HydrophobicContact CG1-CB 4.14Å; V294-C348 WeakPolarHBondContact O-CB 3.28Å; I344-C348 PolarHBondContact O-N 3.3Å; I344-C348 PolarHBondContact O-SG 3.42Å; M345-C348 WeakPolarHBondContact O-CB 3.34Å; M345-C348 PolarHBondContact O-N 3.4Å; M345-C348 VanDerWaalsContact O-N 3.13Å; C348-R356 VanDerWaalsContact O-CD 3.28Å; C348-R356 WeakPolarHBondContact O-CD 3.2Å; C348-R356 WeakPolarHBondContact O-CG 3.34Å
349W98.7Very high97.7Very high3 Ų348.6 Ų48.61%0.01125%0.254CS..THydrogen-bonded Turntrans-96.126.1-177.2-54.1-37.5000114.5W295 G298 V299 R330 M331 M345 L346 K347 E351W295-W349 AromaticContact CD2-CD1 3.7Å; W295-W349 HydrophobicContact CD2-CG 4.47Å; W295-W349 AromaticContact CE2-CD1 3.73Å; W295-W349 HydrophobicContact CE3-CB 4.17Å; W295-W349 AromaticContact CG-CD1 3.97Å; W295-W349 HydrophobicContact CH2-CB 3.99Å; W295-W349 HydrophobicContact CH2-CG 4.47Å; W295-W349 HydrophobicContact CZ2-CB 4.41Å; W295-W349 HydrophobicContact CZ2-CG 4.41Å; W295-W349 HydrophobicContact CZ3-CB 3.88Å; W295-W349 WeakPolarHBondContact CZ3-O 3.31Å; W295-W349 PolarHBondContact O-NE1 2.99Å; G298-W349 VanDerWaalsContact C-CZ2 3.41Å; G298-W349 WeakPolarHBondContact O-CZ2 3.21Å; V299-W349 HydrophobicContact CG2-CZ2 4.25Å; R330-W349 HydrophobicContact CB-CE3 4.19Å; R330-W349 VanDerWaalsContact CZ-O 3.24Å; R330-W349 PolarHBondContact NE-O 3.06Å; R330-W349 PolarHBondContact NH2-O 2.91Å; M331-W349 HydrophobicContact CB-CH2 4.03Å; M331-W349 HydrophobicContact CB-CZ3 4.1Å; M331-W349 HydrophobicContact CE-CH2 3.55Å; M331-W349 HydrophobicContact CE-CZ2 3.45Å; M331-W349 VanDerWaalsContact CE-CZ2 3.45Å; M331-W349 HydrophobicContact CE-CZ3 4.5Å; M345-W349 HydrophobicContact CB-CE3 4.11Å; M345-W349 HydrophobicContact CB-CH2 3.72Å; M345-W349 HydrophobicContact CB-CZ2 4.17Å; M345-W349 HydrophobicContact CB-CZ3 3.71Å; M345-W349 HydrophobicContact CG-CH2 4.2Å; M345-W349 VanDerWaalsContact O-CD2 3.27Å; M345-W349 PolarHBondContact O-N 2.92Å; M345-W349 HydrophobicContact SD-CH2 4.1Å; L346-W349 HydrophobicContact CD2-CE3 4.34Å; L346-W349 PolarHBondContact O-N 2.93Å; K347-W349 VanDerWaalsContact C-N 3.26Å; K347-W349 PolarHBondContact O-N 3.38Å; W349-E351 PolarHBondContact O-N 3.47Å
350Q98.6Very high97.9Very high80 Ų8049 Ų4937%0.37424%0.243SC..  trans-60.3139.4168.9-67.4-61-49.900110.5L346 K347 N355 R356L346-Q350 PolarHBondContact O-NE2 2.82Å; K347-Q350 WeakPolarHBondContact O-CG 3.5Å; Q350-N355 HydrophobicContact CB-CB 3.91Å; Q350-N355 HydrophobicContact CG-CB 4.15Å; Q350-R356 HydrophobicContact CB-CG 3.97Å; Q350-R356 PolarHBondContact O-NE 3.28Å; Q350-R356 PolarHBondContact O-NH2 3.16Å
351E96.4Very high98.1Very high119 Ų11950.5 Ų50.556%0.55625%0.253SS*.SBendtrans-60.1-53.4-178.8-178176.7-179.200110.7W349 P353 R356W349-E351 PolarHBondContact O-N 3.47Å; E351-P353 WeakPolarHBondContact O-CD 3.46Å; E351-R356 PolarHBondContact O-NH2 2.99Å
352Q97.3Very high98.2Very high89 Ų8950.5 Ų50.542%0.41625%0.253SS..SBendtrans-74.3121.9176.2-58.6-52.8-39.400110.5E354 N355Q352-E354 VanDerWaalsContact C-N 3.27Å; Q352-E354 HydrophobicContact CB-CG 4.3Å; Q352-E354 PolarHBondContact O-N 3.05Å; Q352-N355 HydrophobicContact CB-CB 4.5Å; Q352-N355 PolarHBondContact O-N 2.7Å; Q352-N355 VanDerWaalsContact O-N 3.11Å
353P97.6Very high98.2Very high30 Ų3051.1 Ų51.120%0.19525%0.254CS..G310 helixtrans-55.7-36.6-177.8-2735.2000114.7E281 K291 E351 N355 R356E281-P353 HydrophobicContact CG-CG 4.23Å; K291-P353 HydrophobicContact CB-CB 3.78Å; K291-P353 WeakPolarHBondContact CD-O 3.28Å; K291-P353 HydrophobicContact CG-CB 4.32Å; K291-P353 WeakPolarHBondContact CG-O 3.33Å; E351-P353 WeakPolarHBondContact O-CD 3.46Å; P353-N355 PolarHBondContact O-N 2.9Å; P353-R356 VanDerWaalsContact O-CB 3.32Å; P353-R356 WeakPolarHBondContact O-CB 3.49Å; P353-R356 WeakPolarHBondContact O-CG 3.37Å; P353-R356 PolarHBondContact O-N 2.95Å; P353-R356 VanDerWaalsContact O-N 3.13Å
354E96.9Very high98Very high130 Ų13050.2 Ų50.261%0.60725%0.245SC*.G310 helixtrans-65-24.6179.458.7-90.3-151.600113.6Q352 R356Q352-E354 VanDerWaalsContact C-N 3.27Å; Q352-E354 HydrophobicContact CB-CG 4.3Å; Q352-E354 PolarHBondContact O-N 3.05Å; E354-R356 VanDerWaalsContact C-N 3.27Å
355N98.3Very high97.9Very high103 Ų10352.3 Ų52.355%0.55126%0.255SS*.G310 helixtrans-83-7177.2-68.2-19.7000112.6Q350 Q352 P353Q350-N355 HydrophobicContact CB-CB 3.91Å; Q350-N355 HydrophobicContact CG-CB 4.15Å; Q352-N355 HydrophobicContact CB-CB 4.5Å; Q352-N355 PolarHBondContact O-N 2.7Å; Q352-N355 VanDerWaalsContact O-N 3.11Å; P353-N355 PolarHBondContact O-N 2.9Å
356R98.7Very high97.7Very high4 Ų452.3 Ų52.32%0.01526%0.255CS..SBendtrans-79.7142176.2-55.7174.3-165.7155.29.4109.1E281 K291 V294 C348 Q350 E351 P353 E354E281-R356 IonicContact OE1-CZ 2.72Å; E281-R356 IonicContact OE1-NH1 2.73Å; E281-R356 PolarHBondContact OE1-NH1 2.94Å; E281-R356 IonicContact OE1-NH2 3.44Å; E281-R356 PolarHBondContact OE1-NH2 2.65Å; E281-R356 IonicContact OE2-CZ 2.94Å; E281-R356 IonicContact OE2-NH1 3.83Å; E281-R356 IonicContact OE2-NH2 3.25Å; E281-R356 PolarHBondContact OE2-NH2 3.41Å; K291-R356 HydrophobicContact CD-CB 4.3Å; K291-R356 PolarHBondContact NZ-O 3.02Å; K291-R356 WeakPolarHBondContact O-CD 3.45Å; K291-R356 PolarHBondContact O-NH1 3.08Å; V294-R356 HydrophobicContact CG1-CB 3.81Å; C348-R356 VanDerWaalsContact O-CD 3.28Å; C348-R356 WeakPolarHBondContact O-CD 3.2Å; C348-R356 WeakPolarHBondContact O-CG 3.34Å; Q350-R356 HydrophobicContact CB-CG 3.97Å; Q350-R356 PolarHBondContact O-NE 3.28Å; Q350-R356 PolarHBondContact O-NH2 3.16Å; E351-R356 PolarHBondContact O-NH2 2.99Å; P353-R356 VanDerWaalsContact O-CB 3.32Å; P353-R356 WeakPolarHBondContact O-CB 3.49Å; P353-R356 WeakPolarHBondContact O-CG 3.37Å; P353-R356 PolarHBondContact O-N 2.95Å; P353-R356 VanDerWaalsContact O-N 3.13Å; E354-R356 VanDerWaalsContact C-N 3.27Å
357P98.6Very high97.2Very high15 Ų1552.1 Ų52.110%0.09725%0.252CS..PPolyproline II helixtrans-62.1164.7179.726.9-34.7000112.3K291 V294 K347 D361 L362 M365K291-P357 VanDerWaalsContact NZ-C 3.31Å; K291-P357 PolarHBondContact NZ-O 3.37Å; V294-P357 HydrophobicContact CG1-CG 4.27Å; V294-P357 WeakPolarHBondContact CG2-O 3.26Å; K347-P357 HydrophobicContact CB-CG 4.3Å; K347-P357 WeakPolarHBondContact O-CD 3.42Å; P357-D361 HydrophobicContact CB-CB 3.98Å; P357-L362 HydrophobicContact CB-CD2 4.26Å; P357-L362 HydrophobicContact CB-CG 4.13Å; P357-L362 HydrophobicContact CG-CD1 4.19Å; P357-L362 HydrophobicContact CG-CD2 3.51Å; P357-L362 HydrophobicContact CG-CG 3.73Å; P357-M365 HydrophobicContact CB-CE 3.93Å
358T98.6Very high96.4Very high42 Ų4255.1 Ų55.126%0.25826%0.261SS..PPolyproline II helixtrans-77164.5165.464.70000110.2E228 K360 D361 L362E228-T358 WeakPolarHBondContact OE2-CB 3.48Å; T358-K360 VanDerWaalsContact C-N 3.27Å; T358-K360 PolarHBondContact O-N 2.88Å; T358-D361 WeakPolarHBondContact CB-OD2 3.37Å; T358-D361 PolarHBondContact N-OD2 3.49Å; T358-D361 PolarHBondContact O-N 3.4Å; T358-D361 PolarHBondContact OG1-N 3.07Å; T358-D361 VanDerWaalsContact OG1-N 3.08Å; T358-D361 PolarHBondContact OG1-OD2 2.92Å; T358-L362 WeakPolarHBondContact O-CG 3.35Å; T358-L362 PolarHBondContact O-N 3.44Å
359F98.6Very high95.2Very high0 Ų055.9 Ų55.90%027%0.266CS..Hα-helixtrans-67.8-32.4175-86.3-69.9000112.1M224 E228 L237 I290 D293 V294 F297 L362 R363M224-F359 HydrophobicContact CB-CB 4.3Å; M224-F359 HydrophobicContact CB-CD1 3.34Å; M224-F359 HydrophobicContact CB-CD2 3.84Å; M224-F359 HydrophobicContact CB-CE1 3.4Å; M224-F359 HydrophobicContact CB-CE2 3.89Å; M224-F359 HydrophobicContact CB-CG 3.56Å; M224-F359 HydrophobicContact CB-CZ 3.68Å; M224-F359 HydrophobicContact CE-CE1 4.47Å; M224-F359 HydrophobicContact CE-CE2 3.7Å; M224-F359 HydrophobicContact CE-CZ 3.68Å; M224-F359 HydrophobicContact CG-CD1 4.23Å; M224-F359 HydrophobicContact CG-CE1 3.8Å; M224-F359 HydrophobicContact CG-CZ 3.97Å; E228-F359 PolarHBondContact OE2-N 3.1Å; L237-F359 HydrophobicContact CD2-CZ 4.26Å; I290-F359 HydrophobicContact CD1-CD2 3.79Å; I290-F359 HydrophobicContact CD1-CE2 3.67Å; I290-F359 HydrophobicContact CG1-CD2 3.83Å; I290-F359 HydrophobicContact CG1-CE2 3.91Å; D293-F359 HydrophobicContact CB-CE2 3.94Å; D293-F359 HydrophobicContact CB-CZ 4.03Å; V294-F359 HydrophobicContact CG2-CD2 3.92Å; V294-F359 HydrophobicContact CG2-CE1 4.44Å; V294-F359 HydrophobicContact CG2-CE2 3.65Å; V294-F359 HydrophobicContact CG2-CG 4.42Å; V294-F359 HydrophobicContact CG2-CZ 3.94Å; F297-F359 HydrophobicContact CB-CE1 3.69Å; F297-F359 HydrophobicContact CB-CZ 4.07Å; F297-F359 HydrophobicContact CD1-CE1 4.41Å; F297-F359 AromaticContact CD2-CE1 3.96Å; F297-F359 HydrophobicContact CD2-CE1 3.96Å; F297-F359 AromaticContact CG-CE1 3.76Å; F297-F359 HydrophobicContact CG-CE1 3.76Å; F359-L362 HydrophobicContact CD1-CD1 3.9Å; F359-L362 HydrophobicContact CE1-CD1 4.17Å; F359-L362 WeakPolarHBondContact O-CB 3.44Å; F359-L362 PolarHBondContact O-N 3.02Å; F359-R363 PolarHBondContact O-N 3.37Å
360K97.8Very high93.6Very high107 Ų10756.6 Ų56.647%0.46527%0.272SS..Hα-helixtrans-57.5-48.4169.6-174.7177.3-180174.20111.9T358 L362 R363 D364T358-K360 VanDerWaalsContact C-N 3.27Å; T358-K360 PolarHBondContact O-N 2.88Å; K360-L362 VanDerWaalsContact C-N 3.29Å; K360-L362 PolarHBondContact O-N 3.45Å; K360-R363 PolarHBondContact O-N 3.01Å; K360-D364 WeakPolarHBondContact O-CB 3.33Å; K360-D364 VanDerWaalsContact O-CG 3.26Å; K360-D364 PolarHBondContact O-N 3.18Å
361D98.2Very high91.7Very high71 Ų7157 Ų5738%0.3827%0.27SS..Hα-helixtrans-60.8-40.6177-60.7-44.9000111.5P357 T358 D364 M365P357-D361 HydrophobicContact CB-CB 3.98Å; T358-D361 WeakPolarHBondContact CB-OD2 3.37Å; T358-D361 PolarHBondContact N-OD2 3.49Å; T358-D361 PolarHBondContact O-N 3.4Å; T358-D361 PolarHBondContact OG1-N 3.07Å; T358-D361 VanDerWaalsContact OG1-N 3.08Å; T358-D361 PolarHBondContact OG1-OD2 2.92Å; D361-D364 PolarHBondContact O-N 3.46Å; D361-M365 HydrophobicContact CB-CE 3.61Å; D361-M365 WeakPolarHBondContact O-CB 3.18Å; D361-M365 WeakPolarHBondContact O-CE 2.78Å; D361-M365 VanDerWaalsContact O-CG 3.23Å; D361-M365 WeakPolarHBondContact O-CG 3.35Å; D361-M365 PolarHBondContact O-N 2.74Å
362L98.6Very high89.9Confident0 Ų057.8 Ų57.80%027%0.274CS..Hα-helixtrans-64.2-45.7179.3-72.8169.7000112.2V294 F297 I344 P357 T358 F359 K360 M365 L366V294-L362 HydrophobicContact CG1-CD1 4.03Å; V294-L362 HydrophobicContact CG2-CD1 4.31Å; F297-L362 HydrophobicContact CD1-CD1 3.7Å; F297-L362 HydrophobicContact CD1-CD2 4.5Å; F297-L362 HydrophobicContact CE1-CB 4.29Å; F297-L362 HydrophobicContact CE1-CD1 4.09Å; F297-L362 HydrophobicContact CE1-CD2 4.42Å; F297-L362 HydrophobicContact CG-CD1 4.46Å; I344-L362 HydrophobicContact CG2-CD2 3.5Å; P357-L362 HydrophobicContact CB-CD2 4.26Å; P357-L362 HydrophobicContact CB-CG 4.13Å; P357-L362 HydrophobicContact CG-CD1 4.19Å; P357-L362 HydrophobicContact CG-CD2 3.51Å; P357-L362 HydrophobicContact CG-CG 3.73Å; T358-L362 WeakPolarHBondContact O-CG 3.35Å; T358-L362 PolarHBondContact O-N 3.44Å; F359-L362 HydrophobicContact CD1-CD1 3.9Å; F359-L362 HydrophobicContact CE1-CD1 4.17Å; F359-L362 WeakPolarHBondContact O-CB 3.44Å; F359-L362 PolarHBondContact O-N 3.02Å; K360-L362 VanDerWaalsContact C-N 3.29Å; K360-L362 PolarHBondContact O-N 3.45Å; L362-M365 PolarHBondContact O-N 3.41Å; L362-L366 VanDerWaalsContact O-CG 3.28Å; L362-L366 WeakPolarHBondContact O-CG 3.47Å; L362-L366 PolarHBondContact O-N 2.98Å
363R97.5Very high88.3Confident48 Ų4857.4 Ų57.418%0.18127%0.274CS..Hα-helixtrans-58-51.3174.1-178.2-162.764.6-163.1-1.6110.5T218 A221 D222 F359 K360 M365 L366 E367T218-R363 HydrophobicContact CG2-CG 4.15Å; A221-R363 HydrophobicContact CB-CB 3.94Å; D222-R363 HydrophobicContact CB-CG 4.27Å; D222-R363 WeakPolarHBondContact OD1-CD 3.33Å; D222-R363 IonicContact OD1-CZ 2.79Å; D222-R363 IonicContact OD1-NE 3.36Å; D222-R363 IonicContact OD1-NH1 3.48Å; D222-R363 PolarHBondContact OD1-NH1 3.36Å; F359-R363 PolarHBondContact O-N 3.37Å; K360-R363 PolarHBondContact O-N 3.01Å; R363-M365 VanDerWaalsContact C-N 3.28Å; R363-M365 PolarHBondContact O-N 2.89Å; R363-L366 PolarHBondContact O-N 2.87Å; R363-L366 VanDerWaalsContact O-N 3.14Å; R363-E367 HydrophobicContact CG-CG 4.47Å; R363-E367 IonicContact NE-OE1 2.68Å; R363-E367 WeakPolarHBondContact O-CG 3.49Å; R363-E367 PolarHBondContact O-N 2.83Å
364D94.9Very high86.2Confident40 Ų4061.3 Ų61.321%0.21429%0.29CS..Hα-helixtrans-62.7-34.8-178.6-67.63.2000112.1K360 D361 R368K360-D364 WeakPolarHBondContact O-CB 3.33Å; K360-D364 VanDerWaalsContact O-CG 3.26Å; K360-D364 PolarHBondContact O-N 3.18Å; D361-D364 PolarHBondContact O-N 3.46Å; D364-R368 WeakPolarHBondContact O-CD 3.44Å; D364-R368 VanDerWaalsContact O-CG 3.24Å; D364-R368 WeakPolarHBondContact O-CG 3.32Å; D364-R368 PolarHBondContact O-N 2.98Å
365M95.7Very high83.5Confident50 Ų5058.7 Ų58.725%0.24629%0.286CS..Hα-helixtrans-66-45.2173.7-77.4-177.4-119.500112I344 K347 P357 D361 L362 R363 S369I344-M365 HydrophobicContact CD1-CB 3.93Å; I344-M365 HydrophobicContact CG1-CB 4.37Å; I344-M365 HydrophobicContact CG1-SD 4.29Å; K347-M365 HydrophobicContact CD-SD 4.17Å; P357-M365 HydrophobicContact CB-CE 3.93Å; D361-M365 HydrophobicContact CB-CE 3.61Å; D361-M365 WeakPolarHBondContact O-CB 3.18Å; D361-M365 WeakPolarHBondContact O-CE 2.78Å; D361-M365 VanDerWaalsContact O-CG 3.23Å; D361-M365 WeakPolarHBondContact O-CG 3.35Å; D361-M365 PolarHBondContact O-N 2.74Å; L362-M365 PolarHBondContact O-N 3.41Å; R363-M365 VanDerWaalsContact C-N 3.28Å; R363-M365 PolarHBondContact O-N 2.89Å; M365-S369 PolarHBondContact O-N 2.63Å; M365-S369 PolarHBondContact O-OG 3.36Å
366L94Very high80.5Confident0 Ų059.2 Ų59.20%030%0.295CS..Hα-helixtrans-66.9-41.4179.7-68.4166000111.8I214 A217 T218 A221 F297 L301 I341 I344 L362 R363 R368 S369 S370I214-L366 HydrophobicContact CG2-CB 4.47Å; I214-L366 HydrophobicContact CG2-CD2 4.37Å; A217-L366 HydrophobicContact CB-CD1 4.19Å; T218-L366 VanDerWaalsContact OG1-CB 3.3Å; T218-L366 WeakPolarHBondContact OG1-CB 3.47Å; A221-L366 HydrophobicContact CB-CD1 4.14Å; F297-L366 HydrophobicContact CE1-CD1 4.12Å; F297-L366 HydrophobicContact CZ-CD1 3.78Å; L301-L366 HydrophobicContact CD2-CD2 4.47Å; I341-L366 HydrophobicContact CD1-CD2 3.54Å; I344-L366 HydrophobicContact CD1-CD2 3.87Å; I344-L366 HydrophobicContact CD1-CG 4.29Å; L362-L366 VanDerWaalsContact O-CG 3.28Å; L362-L366 WeakPolarHBondContact O-CG 3.47Å; L362-L366 PolarHBondContact O-N 2.98Å; R363-L366 PolarHBondContact O-N 2.87Å; R363-L366 VanDerWaalsContact O-N 3.14Å; L366-R368 PolarHBondContact O-N 3.07Å; L366-S369 PolarHBondContact O-N 2.76Å; L366-S370 PolarHBondContact O-N 3.01Å
367E88.2Confident77.7Confident60 Ų6065.5 Ų65.528%0.2834%0.337SS..Hα-helixtrans-62.5-39.7177.4-78.2-174.5-169.600113.4T218 R363 S369 S370 Y371T218-E367 HydrophobicContact CG2-CG 3.6Å; R363-E367 HydrophobicContact CG-CG 4.47Å; R363-E367 IonicContact NE-OE1 2.68Å; R363-E367 WeakPolarHBondContact O-CG 3.49Å; R363-E367 PolarHBondContact O-N 2.83Å; E367-S369 VanDerWaalsContact C-N 3.32Å; E367-S370 PolarHBondContact O-OG 2.86Å; E367-S370 VanDerWaalsContact O-OG 3.05Å; E367-Y371 WeakPolarHBondContact O-CD2 3.47Å; E367-Y371 WeakPolarHBondContact O-CE2 3.38Å
368R83.6Confident75Confident167 Ų16768.5 Ų68.563%0.6337%0.37SS*.Hα-helixtrans-65-40.8179.5-75.1171.7-165.3178.67.8111.2D364 L366 Y371D364-R368 WeakPolarHBondContact O-CD 3.44Å; D364-R368 VanDerWaalsContact O-CG 3.24Å; D364-R368 WeakPolarHBondContact O-CG 3.32Å; D364-R368 PolarHBondContact O-N 2.98Å; L366-R368 PolarHBondContact O-N 3.07Å; R368-Y371 PolarHBondContact O-N 3.25Å
369S72.8Confident71.9Confident15 Ų1570 Ų7011%0.10539%0.393CS..Hα-helixtrans-79.6-19.7-174.4-570000114F340 M365 L366 E367 Y371 E372 L373F340-S369 VanDerWaalsContact CD2-OG 3.26Å; F340-S369 WeakPolarHBondContact CD2-OG 3.26Å; F340-S369 WeakPolarHBondContact CE2-OG 3.23Å; M365-S369 PolarHBondContact O-N 2.63Å; M365-S369 PolarHBondContact O-OG 3.36Å; L366-S369 PolarHBondContact O-N 2.76Å; E367-S369 VanDerWaalsContact C-N 3.32Å; S369-Y371 PolarHBondContact O-N 3.18Å; S369-E372 PolarHBondContact O-N 3.26Å; S369-L373 PolarHBondContact O-N 3.13Å
370S64.8Low68.9Low19 Ų1975 Ų7513%0.13343%0.429CS..Hα-helixtrans-62.1-3417179.90000111.6L366 E367 E374L366-S370 PolarHBondContact O-N 3.01Å; E367-S370 PolarHBondContact O-OG 2.86Å; E367-S370 VanDerWaalsContact O-OG 3.05Å; S370-E374 PolarHBondContact O-N 3.48Å
371Y58.5Low66.3Low88 Ų8881.9 Ų81.935%0.34545%0.451SS..Hα-helixtrans-71.7-30.5177.8-68.6-69.7000114.2K32 E367 R368 S369 L373 E374 S375K32-Y371 HydrophobicContact CD-CE2 4.22Å; K32-Y371 WeakPolarHBondContact CD-OH 3.32Å; K32-Y371 WeakPolarHBondContact CE-OH 2.96Å; K32-Y371 PolarHBondContact NZ-OH 3.15Å; E367-Y371 WeakPolarHBondContact O-CD2 3.47Å; E367-Y371 WeakPolarHBondContact O-CE2 3.38Å; R368-Y371 PolarHBondContact O-N 3.25Å; S369-Y371 PolarHBondContact O-N 3.18Å; Y371-L373 VanDerWaalsContact C-N 3.32Å; Y371-E374 PolarHBondContact O-N 3.33Å; Y371-S375 PolarHBondContact O-N 2.77Å; Y371-S375 PolarHBondContact O-OG 3.37Å
372E59.6Low63.5Low136 Ų13687 Ų8764%0.63647%0.473SS*.Hα-helixtrans-71.3-31.1178.9-66.6-179.9173.900111.4S369S369-E372 PolarHBondContact O-N 3.26Å
373L62.7Low60.6Low80 Ų8099.9 Ų99.942%0.41953%0.533SS..Hα-helixtrans-75-27.8174.8-70.9168.4000113.3I214 F340 S369 Y371I214-L373 HydrophobicContact CD1-CD1 3.32Å; F340-L373 HydrophobicContact CE1-CD1 4.15Å; F340-L373 HydrophobicContact CE1-CG 4.4Å; F340-L373 HydrophobicContact CZ-CD1 4Å; S369-L373 PolarHBondContact O-N 3.13Å; Y371-L373 VanDerWaalsContact C-N 3.32Å
374E52.9Low58.7Low112 Ų112102.5 Ų102.552%0.52355%0.551SS.*Hα-helixtrans-84.5-10.4177.6-70.4-178.3-171.600113.4S370 Y371S370-E374 PolarHBondContact O-N 3.48Å; Y371-E374 PolarHBondContact O-N 3.33Å
375S40.3Very low56.8Low75 Ų75105.7 Ų105.752%0.52457%0.569SS.*SBendtrans-83.2127.6178.6-63.60000110.3Y371Y371-S375 PolarHBondContact O-N 2.77Å; Y371-S375 PolarHBondContact O-OG 3.37Å
376P36.9Very low54.7Low115 Ų115108.8 Ų108.875%0.74759%0.587SS**  trans-60.7145.1177.914.3-18.5000110.8G378P376-G378 PolarHBondContact O-N 3.33Å; P376-G378 VanDerWaalsContact O-N 3.1Å
377P39.9Very low52.4Low136 Ų136115.2 Ų115.288%0.88362%0.621SS**SBendtrans-67.8114178.17.71.6000109.6
378G40.8Very low50.1Low77 Ų77118.7 Ų118.779%0.79464%0.642SS**  trans89.585.6160.100000116.3P376P376-G378 PolarHBondContact O-N 3.33Å; P376-G378 VanDerWaalsContact O-N 3.1Å
379G32.8Very low47.9Very low73 Ų73115.5 Ų115.575%0.75364%0.643SS**  trans-104.498.1140.200000107.4R381G379-R381 PolarHBondContact O-N 2.9Å; G379-R381 VanDerWaalsContact O-N 3.13Å
380S37.1Very low46.1Very low106 Ų106122.6 Ų122.674%0.74168%0.682SS**  trans-51.3116.3171.331.50000109.7E382S380-E382 VanDerWaalsContact C-N 3.27Å; S380-E382 PolarHBondContact O-N 3.11Å
381R43.3Very low44.7Very low251 Ų251130.6 Ų130.695%0.94772%0.724SS**  trans-71.591.7159.6-78.4-177.8175.1179-1.4106.8G379G379-R381 PolarHBondContact O-N 2.9Å; G379-R381 VanDerWaalsContact O-N 3.13Å
382E38.8Very low43.5Very low179 Ų179134.2 Ų134.284%0.83676%0.755SS**  trans-74144.5155.2-75.2-173.7162.400108.9S380S380-E382 VanDerWaalsContact C-N 3.27Å; S380-E382 PolarHBondContact O-N 3.11Å
383Q37.3Very low42.1Very low270 Ų270134 Ų134100%1.26277%0.766SS**  trans-64.40-167.3-71.5173.4-900114.3

Retrieved 383 of 383 residues in 466.2 ms (Link to these results)

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