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Alanine--tRNA ligase

Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain.

AlphaFold DB , UniProt , Accession A0A077ZHR4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 855 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
1M90.1Very high87Confident67 Ų6747.5 Ų47.533%0.3328%0.284SS..  0131.80176.5173.18200107.5N38 R40 I41 A42M1-N38 HydrophobicContact CB-CB 4.04Å; M1-R40 PolarHBondContact N-O 3.01Å; M1-I41 HydrophobicContact CE-CB 4.48Å; M1-I41 HydrophobicContact CE-CD1 3.71Å; M1-I41 HydrophobicContact CE-CG1 3.85Å; M1-I41 HydrophobicContact CE-CG2 3.94Å; M1-I41 CarbonylContact O-C 3.53Å; M1-I41 VanDerWaalsContact O-CA 3.31Å; M1-I41 WeakPolarHBondContact O-CA 3.49Å; M1-A42 PolarHBondContact O-N 3.16Å
2I91.2Very high84.5Confident128 Ų12852 Ų5266%0.65631%0.305SS*.BIsolated β-bridgetrans-96.1116170.5-56-56.4000106.6A42I2-A42 CarbonylContact C-O 3.21Å; I2-A42 WeakPolarHBondContact CA-O 3.44Å; I2-A42 HydrophobicContact CD1-CB 3.95Å
3E88.8Confident83.1Confident30 Ų3050.4 Ų50.414%0.1429%0.294CS..PPolyproline II helixtrans-95.4129.1176.6-157.4161.9175.300108.1M26 K28 Y29 I41 A42 N43E3-M26 HydrophobicContact CB-CE 4.11Å; E3-M26 HydrophobicContact CG-CE 4.27Å; E3-M26 WeakPolarHBondContact OE2-CE 3.29Å; E3-K28 IonicContact OE1-NZ 2.57Å; E3-K28 PolarHBondContact OE1-NZ 3.35Å; E3-Y29 WeakPolarHBondContact OE2-CE2 3.3Å; E3-I41 HydrophobicContact CB-CG2 3.97Å; E3-A42 PolarHBondContact N-O 3.29Å; E3-N43 HydrophobicContact CB-CB 4.44Å; E3-N43 WeakPolarHBondContact O-CB 3.47Å
4P89.9Confident81.7Confident100 Ų10056 Ų5665%0.64933%0.333SS*.PPolyproline II helixtrans-66156.3177.528.4-34.2000110.5A6P4-A6 PolarHBondContact O-N 3.11Å
5S91.5Very high80.8Confident25 Ų2559.4 Ų59.418%0.17536%0.355CS..PPolyproline II helixtrans-54.1128.1172.2-174.20000110.3A44 Q45 K46S5-A44 VanDerWaalsContact CB-O 3.31Å; S5-A44 WeakPolarHBondContact CB-O 3.36Å; S5-Q45 PolarHBondContact OG-NE2 3.31Å; S5-K46 WeakPolarHBondContact OG-CE 3.43Å; S5-K46 WeakPolarHBondContact OG-CG 3.45Å; S5-K46 PolarHBondContact OG-N 3.46Å
6A90.6Very high80.5Confident40 Ų4057.5 Ų57.533%0.33134%0.342SS..PPolyproline II helixtrans-68.5161.7166.600000110.4P4 T25 Q45P4-A6 PolarHBondContact O-N 3.11Å; A6-T25 HydrophobicContact CB-CG2 3.53Å; A6-Q45 PolarHBondContact O-NE2 3.09Å
7S91.3Very high80.7Confident32 Ų3258.1 Ų58.122%0.22434%0.343CS..PPolyproline II helixtrans-56.8142.2168.61740000110.6V9 I19 D270S7-V9 PolarHBondContact O-N 3.29Å; S7-V9 PolarHBondContact OG-N 3.45Å; S7-V9 VanDerWaalsContact OG-N 3.1Å; S7-I19 VanDerWaalsContact O-CG1 3.31Å; S7-I19 WeakPolarHBondContact O-CG1 3.34Å; S7-D270 WeakPolarHBondContact OG-CB 3.37Å
8L93.3Very high81.3Confident0 Ų055.3 Ų55.30%033%0.325CS..SBendtrans-57.8-26.1169.9-75167.3000112.3P10 W18 I19 K46 I48 F266 A267 D270L8-P10 VanDerWaalsContact O-CD 3.25Å; L8-P10 WeakPolarHBondContact O-CD 3.48Å; L8-W18 HydrophobicContact CB-CE3 4.02Å; L8-W18 HydrophobicContact CB-CZ3 4.21Å; L8-I19 PolarHBondContact O-N 3.18Å; L8-K46 HydrophobicContact CD2-CB 3.86Å; L8-K46 WeakPolarHBondContact CD2-O 3.46Å; L8-K46 HydrophobicContact CG-CB 4.06Å; L8-I48 HydrophobicContact CB-CD1 4.5Å; L8-I48 HydrophobicContact CD1-CD1 3.78Å; L8-I48 HydrophobicContact CD1-CG1 4.32Å; L8-I48 HydrophobicContact CD2-CB 4.39Å; L8-I48 HydrophobicContact CD2-CD1 4.02Å; L8-I48 HydrophobicContact CD2-CG1 3.83Å; L8-I48 HydrophobicContact CG-CD1 4.34Å; L8-F266 HydrophobicContact CD1-CB 3.77Å; L8-A267 HydrophobicContact CD1-CB 4.27Å; L8-D270 HydrophobicContact CB-CB 4.45Å; L8-D270 WeakPolarHBondContact CB-OD2 3.49Å; L8-D270 WeakPolarHBondContact CG-OD2 3.49Å; L8-D270 PolarHBondContact N-OD2 3.47Å
9V85.5Confident81.7Confident19 Ų1952.9 Ų52.912%0.11531%0.311CS..SBendtrans-79.2113.5174.7-1770000109S7 V11 W18 A272S7-V9 PolarHBondContact O-N 3.29Å; S7-V9 PolarHBondContact OG-N 3.45Å; S7-V9 VanDerWaalsContact OG-N 3.1Å; V9-V11 PolarHBondContact O-N 2.87Å; V9-W18 HydrophobicContact CG2-CZ3 4.13Å; V9-A272 HydrophobicContact CG2-CB 3.87Å
10P77.3Confident82.1Confident12 Ų1252.6 Ų52.68%0.07831%0.308CS..  trans-60.8139.4176.1-21.634.2000111.2L8 D13 L16 I19L8-P10 VanDerWaalsContact O-CD 3.25Å; L8-P10 WeakPolarHBondContact O-CD 3.48Å; P10-D13 HydrophobicContact CB-CB 4.19Å; P10-L16 HydrophobicContact CB-CB 4.22Å; P10-L16 HydrophobicContact CG-CB 3.79Å; P10-I19 HydrophobicContact CB-CD1 3.96Å; P10-I19 HydrophobicContact CB-CG1 4.49Å; P10-I19 HydrophobicContact CG-CD1 3.94Å; P10-I19 HydrophobicContact CG-CG1 4.12Å
11V67.6Low82.4Confident70 Ų7050.6 Ų50.642%0.42430%0.297SS..SBendtrans-107.4118.6-179.8179.20000109.2V9 D13 G627V9-V11 PolarHBondContact O-N 2.87Å; V11-D13 PolarHBondContact O-N 2.91Å; V11-G627 WeakPolarHBondContact CG1-O 3.47Å
12N56.7Low82.2Confident101 Ų10147.4 Ų47.454%0.5428%0.281SS..SBendtrans56.123.3-177.3-66-33.7000115.4G627N12-G627 PolarHBondContact ND2-O 2.9Å
13D66.1Low81.9Confident31 Ų3141.9 Ų41.917%0.16625%0.253CS..  trans-114.694.9169.7-169.3-17.6000109.2P10 V11 T15 L16 K27P10-D13 HydrophobicContact CB-CB 4.19Å; V11-D13 PolarHBondContact O-N 2.91Å; D13-T15 PolarHBondContact O-N 3.43Å; D13-T15 WeakPolarHBondContact OD1-CA 3.42Å; D13-T15 VanDerWaalsContact OD1-CB 3.31Å; D13-T15 WeakPolarHBondContact OD1-CB 3.32Å; D13-T15 PolarHBondContact OD1-N 3.43Å; D13-T15 PolarHBondContact OD1-OG1 2.9Å; D13-L16 WeakPolarHBondContact OD2-CD1 3.44Å; D13-K27 IonicContact OD2-NZ 3.88Å; D13-K27 PolarHBondContact OD2-NZ 3.12Å
14P64.3Low81.6Confident129 Ų12940.9 Ų40.984%0.83825%0.25SS*.THydrogen-bonded Turntrans-73.2-9.3179.232-35.5000112.6
15T68Low81.4Confident107 Ų10737.3 Ų37.366%0.65623%0.227SC*.THydrogen-bonded Turntrans-80-20.6179.973.80000112.2D13D13-T15 PolarHBondContact O-N 3.43Å; D13-T15 WeakPolarHBondContact OD1-CA 3.42Å; D13-T15 VanDerWaalsContact OD1-CB 3.31Å; D13-T15 WeakPolarHBondContact OD1-CB 3.32Å; D13-T15 PolarHBondContact OD1-N 3.43Å; D13-T15 PolarHBondContact OD1-OG1 2.9Å
16L76.3Confident81.1Confident29 Ų2936.1 Ų36.115%0.15222%0.218CC..  trans-109.9130.8-177.1-66.1179.7000112.6P10 D13 A24 R279P10-L16 HydrophobicContact CB-CB 4.22Å; P10-L16 HydrophobicContact CG-CB 3.79Å; D13-L16 WeakPolarHBondContact OD2-CD1 3.44Å; L16-A24 HydrophobicContact CD1-CB 3.85Å; L16-R279 PolarHBondContact O-NH2 3.2Å
17L83.4Confident80.6Confident68 Ų6838 Ų3836%0.35622%0.219SC..SBendtrans-74.8-45168.6-170.266.6000111T50 R279 V282L17-T50 HydrophobicContact CD2-CG2 4.49Å; L17-R279 HydrophobicContact CD1-CG 3.85Å; L17-R279 HydrophobicContact CG-CG 4.15Å; L17-R279 WeakPolarHBondContact O-CD 3.41Å; L17-R279 VanDerWaalsContact O-CG 3.32Å; L17-R279 WeakPolarHBondContact O-CG 3.19Å; L17-R279 VanDerWaalsContact O-CZ 3.27Å; L17-R279 PolarHBondContact O-NE 3.05Å; L17-R279 PolarHBondContact O-NH2 3.33Å; L17-V282 HydrophobicContact CD2-CG2 3.75Å
18W91Very high79.8Confident7 Ų739.2 Ų39.23%0.02722%0.22CC..SBendtrans-135154.2176.3-63.5104.9000109.2L8 V9 N20 I48 A267 A272 R279 V282 L283L8-W18 HydrophobicContact CB-CE3 4.02Å; L8-W18 HydrophobicContact CB-CZ3 4.21Å; V9-W18 HydrophobicContact CG2-CZ3 4.13Å; W18-N20 PolarHBondContact O-N 3.21Å; W18-I48 HydrophobicContact CB-CB 3.88Å; W18-I48 HydrophobicContact CB-CG2 4.01Å; W18-I48 HydrophobicContact CD2-CB 4.5Å; W18-I48 HydrophobicContact CD2-CD1 4.08Å; W18-I48 HydrophobicContact CD2-CG2 4.34Å; W18-I48 HydrophobicContact CE3-CD1 4.01Å; W18-I48 HydrophobicContact CG-CB 4.04Å; W18-I48 HydrophobicContact CG-CD1 4.5Å; W18-I48 HydrophobicContact CG-CG2 3.77Å; W18-I48 HydrophobicContact CZ3-CD1 4.32Å; W18-A267 HydrophobicContact CH2-CB 3.84Å; W18-A267 HydrophobicContact CZ3-CB 3.98Å; W18-A272 HydrophobicContact CH2-CB 3.46Å; W18-A272 VanDerWaalsContact CH2-CB 3.46Å; W18-A272 HydrophobicContact CZ3-CB 3.8Å; W18-R279 HydrophobicContact CD2-CG 4.16Å; W18-R279 HydrophobicContact CE3-CG 4.39Å; W18-R279 HydrophobicContact CH2-CB 3.73Å; W18-R279 HydrophobicContact CH2-CG 4.1Å; W18-R279 HydrophobicContact CZ2-CB 3.45Å; W18-R279 VanDerWaalsContact CZ2-CB 3.45Å; W18-R279 HydrophobicContact CZ2-CG 3.84Å; W18-R279 WeakPolarHBondContact CZ2-O 3.36Å; W18-R279 HydrophobicContact CZ3-CB 4.43Å; W18-R279 HydrophobicContact CZ3-CG 4.36Å; W18-V282 HydrophobicContact CZ2-CB 4.45Å; W18-L283 HydrophobicContact CH2-CD1 4.34Å; W18-L283 HydrophobicContact CH2-CD2 3.86Å; W18-L283 HydrophobicContact CH2-CG 4.1Å; W18-L283 HydrophobicContact CZ2-CD2 3.91Å; W18-L283 HydrophobicContact CZ2-CG 4.09Å
19I90.4Very high79.3Confident10 Ų1040.5 Ų40.55%0.05123%0.225CC..  trans-63.8119.1164-63.4-59.5000107.1S7 L8 P10 S21 A24 T25 Q45 S47 I48S7-I19 VanDerWaalsContact O-CG1 3.31Å; S7-I19 WeakPolarHBondContact O-CG1 3.34Å; L8-I19 PolarHBondContact O-N 3.18Å; P10-I19 HydrophobicContact CB-CD1 3.96Å; P10-I19 HydrophobicContact CB-CG1 4.49Å; P10-I19 HydrophobicContact CG-CD1 3.94Å; P10-I19 HydrophobicContact CG-CG1 4.12Å; I19-S21 WeakPolarHBondContact CG2-O 3.32Å; I19-A24 HydrophobicContact CD1-CB 4.27Å; I19-A24 HydrophobicContact CG2-CB 4.39Å; I19-T25 HydrophobicContact CD1-CG2 4.11Å; I19-T25 HydrophobicContact CG1-CG2 4.33Å; I19-T25 HydrophobicContact CG2-CG2 3.74Å; I19-Q45 HydrophobicContact CG2-CG 4.01Å; I19-S47 CarbonylContact O-C 3.6Å; I19-S47 WeakPolarHBondContact O-CA 3.31Å; I19-I48 PolarHBondContact O-N 3.42Å
20N89.5Confident79Confident46 Ų4640.1 Ų40.125%0.24622%0.222CC..  trans-115.6-4.8-171.864.6-28.8000113.5W18 I48W18-N20 PolarHBondContact O-N 3.21Å; N20-I48 WeakPolarHBondContact CA-O 3.43Å; N20-I48 WeakPolarHBondContact CB-O 3.47Å
21S87.2Confident78.8Confident11 Ų1144.2 Ų44.28%0.07724%0.243CC..SBendtrans-156.9165.8178.965.50000111.9I19 V23 A24I19-S21 WeakPolarHBondContact CG2-O 3.32Å; S21-V23 WeakPolarHBondContact OG-CG1 3.5Å; S21-A24 PolarHBondContact OG-N 2.95Å
22G86.9Confident78.9Confident0 Ų043.5 Ų43.50%025%0.25CS..SBendtrans-63.1-45.5172.800000112.7A24 T25 M68G22-A24 PolarHBondContact O-N 3.34Å; G22-T25 PolarHBondContact O-N 3.47Å; G22-T25 VanDerWaalsContact O-N 3.14Å; G22-T25 PolarHBondContact O-OG1 3.11Å; G22-M68 PolarHBondContact N-SD 2.9Å
23V84.8Confident79.5Confident12 Ų1242.6 Ų42.67%0.07325%0.252CS..Hα-helixtrans-64.6-26.4-179.268.30000113.9S21 T25 M26 K27 F30 W137 D205S21-V23 WeakPolarHBondContact OG-CG1 3.5Å; V23-T25 PolarHBondContact O-N 3.39Å; V23-T25 VanDerWaalsContact O-N 3.1Å; V23-M26 CarbonylContact O-C 3.33Å; V23-M26 WeakPolarHBondContact O-CA 3.31Å; V23-M26 PolarHBondContact O-N 3.47Å; V23-K27 PolarHBondContact O-N 3.36Å; V23-F30 HydrophobicContact CG2-CD2 4.44Å; V23-F30 HydrophobicContact CG2-CE2 4.27Å; V23-F30 HydrophobicContact CG2-CZ 4.44Å; V23-W137 HydrophobicContact CG1-CH2 3.62Å; V23-W137 HydrophobicContact CG1-CZ2 3.72Å; V23-D205 WeakPolarHBondContact CB-OD2 3.5Å; V23-D205 WeakPolarHBondContact CG1-OD2 3.42Å; V23-D205 HydrophobicContact CG2-CB 4.5Å
24A83.3Confident80Confident10 Ų1044.1 Ų44.18%0.08326%0.262CS..Hα-helixtrans-56.3-29.9175.400000112.4L16 I19 S21 G22L16-A24 HydrophobicContact CD1-CB 3.85Å; I19-A24 HydrophobicContact CD1-CB 4.27Å; I19-A24 HydrophobicContact CG2-CB 4.39Å; S21-A24 PolarHBondContact OG-N 2.95Å; G22-A24 PolarHBondContact O-N 3.34Å
25T85Confident80.8Confident24 Ų2444.2 Ų44.215%0.14726%0.26CS..Hα-helixtrans-87-14.9176.565.90000113.4A6 I19 G22 V23 Q45A6-T25 HydrophobicContact CB-CG2 3.53Å; I19-T25 HydrophobicContact CD1-CG2 4.11Å; I19-T25 HydrophobicContact CG1-CG2 4.33Å; I19-T25 HydrophobicContact CG2-CG2 3.74Å; G22-T25 PolarHBondContact O-N 3.47Å; G22-T25 VanDerWaalsContact O-N 3.14Å; G22-T25 PolarHBondContact O-OG1 3.11Å; V23-T25 PolarHBondContact O-N 3.39Å; V23-T25 VanDerWaalsContact O-N 3.1Å; T25-Q45 HydrophobicContact CG2-CG 4.16Å
26M85.9Confident81.6Confident1 Ų140 Ų401%0.00523%0.234CC..Hα-helixtrans-101.3-8-175.6-56.9-56167.300113.8E3 V23 K28 Y29 F30 I41 N43 F72E3-M26 HydrophobicContact CB-CE 4.11Å; E3-M26 HydrophobicContact CG-CE 4.27Å; E3-M26 WeakPolarHBondContact OE2-CE 3.29Å; V23-M26 CarbonylContact O-C 3.33Å; V23-M26 WeakPolarHBondContact O-CA 3.31Å; V23-M26 PolarHBondContact O-N 3.47Å; M26-K28 PolarHBondContact O-N 3.11Å; M26-Y29 WeakPolarHBondContact O-CB 3.36Å; M26-Y29 PolarHBondContact O-N 2.77Å; M26-Y29 HydrophobicContact SD-CD2 3.94Å; M26-Y29 HydrophobicContact SD-CE2 4.04Å; M26-F30 HydrophobicContact CB-CD2 3.86Å; M26-F30 HydrophobicContact CB-CE2 3.71Å; M26-F30 WeakPolarHBondContact O-CD2 3.36Å; M26-F30 PolarHBondContact O-N 2.91Å; M26-I41 HydrophobicContact CE-CG2 4.25Å; M26-I41 HydrophobicContact SD-CG2 4.48Å; M26-N43 HydrophobicContact CE-CB 4.36Å; M26-N43 WeakPolarHBondContact CE-ND2 3.44Å; M26-F72 HydrophobicContact CB-CD1 4.45Å; M26-F72 HydrophobicContact CE-CD2 4.27Å; M26-F72 HydrophobicContact CE-CE2 3.86Å; M26-F72 HydrophobicContact CE-CZ 4.34Å; M26-F72 HydrophobicContact CG-CD1 3.98Å; M26-F72 HydrophobicContact CG-CD2 4.13Å; M26-F72 HydrophobicContact CG-CE1 3.81Å; M26-F72 HydrophobicContact CG-CE2 4.01Å; M26-F72 HydrophobicContact CG-CG 4.13Å; M26-F72 HydrophobicContact CG-CZ 3.85Å
27K78.3Confident82.1Confident79 Ų7947.8 Ų47.834%0.34327%0.27SS..Hα-helixtrans-40.6-45.2-178.8-69.2-177.2-179.2177.80113.9D13 V23 Y29 F30 D31D13-K27 IonicContact OD2-NZ 3.88Å; D13-K27 PolarHBondContact OD2-NZ 3.12Å; V23-K27 PolarHBondContact O-N 3.36Å; K27-Y29 PolarHBondContact O-N 3.28Å; K27-Y29 VanDerWaalsContact O-N 3.16Å; K27-F30 PolarHBondContact O-N 3.39Å; K27-F30 VanDerWaalsContact O-N 3.13Å; K27-D31 PolarHBondContact O-N 3Å
28K75.2Confident82.5Confident57 Ų5747.8 Ų47.825%0.24827%0.271CS..Hα-helixtrans-55.1-29.7178.665.7-174.8167.5164.60114.9E3 M26 D31 S33 V34E3-K28 IonicContact OE1-NZ 2.57Å; E3-K28 PolarHBondContact OE1-NZ 3.35Å; M26-K28 PolarHBondContact O-N 3.11Å; K28-D31 VanDerWaalsContact C-OD1 3.31Å; K28-D31 WeakPolarHBondContact CA-OD1 3.43Å; K28-S33 WeakPolarHBondContact CA-OG 3.42Å; K28-S33 PolarHBondContact O-N 2.93Å; K28-S33 PolarHBondContact O-OG 2.91Å; K28-V34 HydrophobicContact CB-CB 4.41Å; K28-V34 HydrophobicContact CB-CG2 4.11Å; K28-V34 HydrophobicContact CG-CB 4.5Å; K28-V34 HydrophobicContact CG-CG2 4.5Å; K28-V34 PolarHBondContact O-N 3.17Å
29Y83.5Confident82.5Confident28 Ų2849.5 Ų49.511%0.1128%0.282CS..Hα-helixtrans-87.8-40.6178.6-59.6-51.8000110.7E3 M26 K27 G32 V34 P36 I41E3-Y29 WeakPolarHBondContact OE2-CE2 3.3Å; M26-Y29 WeakPolarHBondContact O-CB 3.36Å; M26-Y29 PolarHBondContact O-N 2.77Å; M26-Y29 HydrophobicContact SD-CD2 3.94Å; M26-Y29 HydrophobicContact SD-CE2 4.04Å; K27-Y29 PolarHBondContact O-N 3.28Å; K27-Y29 VanDerWaalsContact O-N 3.16Å; Y29-G32 PolarHBondContact O-N 3.39Å; Y29-V34 HydrophobicContact CD1-CB 4.07Å; Y29-V34 HydrophobicContact CD1-CG1 4.12Å; Y29-V34 WeakPolarHBondContact CD1-O 3.35Å; Y29-V34 HydrophobicContact CE1-CB 4.08Å; Y29-V34 HydrophobicContact CE1-CG1 3.68Å; Y29-P36 HydrophobicContact CD1-CB 3.77Å; Y29-P36 HydrophobicContact CD1-CG 4.18Å; Y29-P36 HydrophobicContact CE1-CB 3.8Å; Y29-P36 HydrophobicContact CG-CB 4.26Å; Y29-I41 HydrophobicContact CD2-CD1 3.81Å; Y29-I41 HydrophobicContact CE2-CD1 3.99Å; Y29-I41 HydrophobicContact CG-CD1 4.43Å
30F78.6Confident82.8Confident10 Ų1054.8 Ų54.84%0.04430%0.302CS..Hα-helixtrans-69.1-36.6179.6-77.7-104000112.7V23 M26 K27 G32 F72 I74 P143 N203 I204 D205V23-F30 HydrophobicContact CG2-CD2 4.44Å; V23-F30 HydrophobicContact CG2-CE2 4.27Å; V23-F30 HydrophobicContact CG2-CZ 4.44Å; M26-F30 HydrophobicContact CB-CD2 3.86Å; M26-F30 HydrophobicContact CB-CE2 3.71Å; M26-F30 WeakPolarHBondContact O-CD2 3.36Å; M26-F30 PolarHBondContact O-N 2.91Å; K27-F30 PolarHBondContact O-N 3.39Å; K27-F30 VanDerWaalsContact O-N 3.13Å; F30-G32 VanDerWaalsContact C-N 3.26Å; F30-G32 PolarHBondContact O-N 3.02Å; F30-F72 HydrophobicContact CE2-CB 4.29Å; F30-F72 AromaticContact CE2-CD1 4Å; F30-F72 HydrophobicContact CE2-CD1 4Å; F30-F72 HydrophobicContact CE2-CG 4.48Å; F30-F72 HydrophobicContact CZ-CB 4.28Å; F30-F72 HydrophobicContact CZ-CD1 4.03Å; F30-I74 HydrophobicContact CD2-CD1 3.64Å; F30-I74 HydrophobicContact CE1-CD1 4.48Å; F30-I74 HydrophobicContact CE2-CD1 3.57Å; F30-I74 HydrophobicContact CG-CD1 4.14Å; F30-I74 HydrophobicContact CZ-CD1 4.01Å; F30-P143 HydrophobicContact CB-CB 4.44Å; F30-P143 HydrophobicContact CB-CG 3.76Å; F30-P143 HydrophobicContact CD1-CB 4.35Å; F30-N203 HydrophobicContact CD1-CB 3.69Å; F30-N203 HydrophobicContact CE1-CB 3.42Å; F30-N203 VanDerWaalsContact CE1-CB 3.42Å; F30-N203 HydrophobicContact CZ-CB 4.34Å; F30-I204 WeakPolarHBondContact CZ-O 3.42Å; F30-D205 HydrophobicContact CE1-CB 4.14Å; F30-D205 HydrophobicContact CZ-CB 3.88Å
31D73.4Confident83Confident98 Ų9852.9 Ų52.952%0.52429%0.291SS..THydrogen-bonded Turntrans-80.6-4.6176.570.316.3000113.5K27 K28 S33K27-D31 PolarHBondContact O-N 3Å; K28-D31 VanDerWaalsContact C-OD1 3.31Å; K28-D31 WeakPolarHBondContact CA-OD1 3.43Å; D31-S33 VanDerWaalsContact C-N 3.27Å; D31-S33 PolarHBondContact O-N 3.26Å; D31-S33 WeakPolarHBondContact OD1-CB 3.46Å; D31-S33 PolarHBondContact OD1-N 3.21Å; D31-S33 PolarHBondContact OD1-OG 3.12Å; D31-S33 PolarHBondContact OD2-OG 2.92Å
32G70Confident83.4Confident55 Ų5553.8 Ų53.857%0.56730%0.3SS*.SBendtrans74.96.7178.500000115.2Y29 F30 V34Y29-G32 PolarHBondContact O-N 3.39Å; F30-G32 VanDerWaalsContact C-N 3.26Å; F30-G32 PolarHBondContact O-N 3.02Å; G32-V34 PolarHBondContact O-N 3.12Å
33S68.2Low83.7Confident83 Ų8354.3 Ų54.358%0.5830%0.302SS*.SBendtrans-68.1-23.317759.30000112.9K28 D31K28-S33 WeakPolarHBondContact CA-OG 3.42Å; K28-S33 PolarHBondContact O-N 2.93Å; K28-S33 PolarHBondContact O-OG 2.91Å; D31-S33 VanDerWaalsContact C-N 3.27Å; D31-S33 PolarHBondContact O-N 3.26Å; D31-S33 WeakPolarHBondContact OD1-CB 3.46Å; D31-S33 PolarHBondContact OD1-N 3.21Å; D31-S33 PolarHBondContact OD1-OG 3.12Å; D31-S33 PolarHBondContact OD2-OG 2.92Å
34V76.7Confident84.1Confident63 Ų6354.3 Ų54.338%0.38230%0.304SS..SBendtrans-133.3134.3171-175.40000109.5K28 Y29 G32K28-V34 HydrophobicContact CB-CB 4.41Å; K28-V34 HydrophobicContact CB-CG2 4.11Å; K28-V34 HydrophobicContact CG-CB 4.5Å; K28-V34 HydrophobicContact CG-CG2 4.5Å; K28-V34 PolarHBondContact O-N 3.17Å; Y29-V34 HydrophobicContact CD1-CB 4.07Å; Y29-V34 HydrophobicContact CD1-CG1 4.12Å; Y29-V34 WeakPolarHBondContact CD1-O 3.35Å; Y29-V34 HydrophobicContact CE1-CB 4.08Å; Y29-V34 HydrophobicContact CE1-CG1 3.68Å; G32-V34 PolarHBondContact O-N 3.12Å
35V81.1Confident84.7Confident131 Ų13153.9 Ų53.979%0.79430%0.3SS*.  trans-89.6122.6171.3-178.20000108.5
36P84.3Confident85.2Confident17 Ų1752.9 Ų52.911%0.1129%0.294CS..  trans-70.5150.3178.731.1-36.3000111.4Y29 N38 I41 I74Y29-P36 HydrophobicContact CD1-CB 3.77Å; Y29-P36 HydrophobicContact CD1-CG 4.18Å; Y29-P36 HydrophobicContact CE1-CB 3.8Å; Y29-P36 HydrophobicContact CG-CB 4.26Å; P36-N38 PolarHBondContact O-N 3.35Å; P36-I41 HydrophobicContact CB-CD1 4.02Å; P36-I74 HydrophobicContact CG-CB 4.05Å; P36-I74 HydrophobicContact CG-CG1 4.05Å; P36-I74 HydrophobicContact CG-CG2 4.2Å
37E88Confident85.6Confident194 Ų19452.8 Ų52.891%0.90729%0.293SS*.SBendtrans-63.2-29.4175.9-65.4-171.416400112.8
38N91.3Very high86.4Confident68 Ų6849.2 Ų49.236%0.36428%0.278SS..SBendtrans-138.3124.8174-174.6-33.2000108.2M1 P36 R40M1-N38 HydrophobicContact CB-CB 4.04Å; P36-N38 PolarHBondContact O-N 3.35Å; N38-R40 PolarHBondContact O-N 3.15Å; N38-R40 WeakPolarHBondContact OD1-CB 3.35Å; N38-R40 PolarHBondContact OD1-N 3.43Å; N38-R40 PolarHBondContact OD1-O 3.49Å
39P91.6Very high87.1Confident42 Ų4251.4 Ų51.427%0.27328%0.284SS..SBendtrans-69.9-11.3-177.230.2-36.9000113.5S73 I74 D76P39-S73 WeakPolarHBondContact O-CA 3.26Å; P39-I74 HydrophobicContact CB-CB 4.32Å; P39-I74 VanDerWaalsContact CB-O 3.26Å; P39-I74 WeakPolarHBondContact CB-O 3.37Å; P39-I74 PolarHBondContact O-N 2.79Å; P39-D76 HydrophobicContact CB-CB 3.84Å; P39-D76 HydrophobicContact CG-CB 3.76Å
40R95.4Very high87.2Confident122 Ų12252.3 Ų52.346%0.4629%0.293SS..EExtended strand (participates in β ladder)trans-95.9114.2172.6-54.1-177-174-165.1-9.9109.7M1 N38 D76 Y77M1-R40 PolarHBondContact N-O 3.01Å; N38-R40 PolarHBondContact O-N 3.15Å; N38-R40 WeakPolarHBondContact OD1-CB 3.35Å; N38-R40 PolarHBondContact OD1-N 3.43Å; N38-R40 PolarHBondContact OD1-O 3.49Å; R40-D76 WeakPolarHBondContact CG-OD2 3.11Å; R40-D76 IonicContact CZ-OD2 3.19Å; R40-D76 IonicContact NE-OD2 2.66Å; R40-D76 PolarHBondContact NE-OD2 2.9Å; R40-D76 IonicContact NH2-OD2 2.85Å; R40-D76 PolarHBondContact NH2-OD2 3.09Å; R40-Y77 HydrophobicContact CB-CE1 4.41Å; R40-Y77 HydrophobicContact CG-CD1 4.13Å; R40-Y77 HydrophobicContact CG-CE1 4Å
41I95.1Very high87.4Confident5 Ų558.9 Ų58.93%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-123.1145.9-175.4-46.2-178.6000109.1M1 E3 M26 Y29 P36 N71 F72 I74M1-I41 HydrophobicContact CE-CB 4.48Å; M1-I41 HydrophobicContact CE-CD1 3.71Å; M1-I41 HydrophobicContact CE-CG1 3.85Å; M1-I41 HydrophobicContact CE-CG2 3.94Å; M1-I41 CarbonylContact O-C 3.53Å; M1-I41 VanDerWaalsContact O-CA 3.31Å; M1-I41 WeakPolarHBondContact O-CA 3.49Å; E3-I41 HydrophobicContact CB-CG2 3.97Å; M26-I41 HydrophobicContact CE-CG2 4.25Å; M26-I41 HydrophobicContact SD-CG2 4.48Å; Y29-I41 HydrophobicContact CD2-CD1 3.81Å; Y29-I41 HydrophobicContact CE2-CD1 3.99Å; Y29-I41 HydrophobicContact CG-CD1 4.43Å; P36-I41 HydrophobicContact CB-CD1 4.02Å; I41-N71 CarbonylContact O-C 3.58Å; I41-N71 VanDerWaalsContact O-CA 3.29Å; I41-N71 WeakPolarHBondContact O-CA 3.34Å; I41-F72 HydrophobicContact CB-CB 4.19Å; I41-F72 HydrophobicContact CB-CD2 4.07Å; I41-F72 HydrophobicContact CG2-CD2 4.14Å; I41-F72 PolarHBondContact N-O 3.06Å; I41-F72 PolarHBondContact O-N 3.37Å; I41-I74 HydrophobicContact CD1-CG1 4.24Å
42A94.6Very high87.9Confident31 Ų3155.6 Ų55.626%0.25631%0.311SS..EExtended strand (participates in β ladder)trans-141.4146.8166.500000110.5M1 I2 E3 G70 N71M1-A42 PolarHBondContact O-N 3.16Å; I2-A42 CarbonylContact C-O 3.21Å; I2-A42 WeakPolarHBondContact CA-O 3.44Å; I2-A42 HydrophobicContact CD1-CB 3.95Å; E3-A42 PolarHBondContact N-O 3.29Å; A42-G70 CarbonylContact C-O 3.53Å; A42-G70 WeakPolarHBondContact CA-O 3.36Å; A42-N71 HydrophobicContact CB-CB 4.43Å
43N92.8Very high88.8Confident10 Ų1053 Ų535%0.05329%0.285CS..EExtended strand (participates in β ladder)trans-149.8168.8175.975.4-11000112.7E3 M26 G70 F72E3-N43 HydrophobicContact CB-CB 4.44Å; E3-N43 WeakPolarHBondContact O-CB 3.47Å; M26-N43 HydrophobicContact CE-CB 4.36Å; M26-N43 WeakPolarHBondContact CE-ND2 3.44Å; N43-G70 PolarHBondContact N-O 3.08Å; N43-G70 PolarHBondContact O-N 3.33Å; N43-F72 VanDerWaalsContact OD1-CE2 3.25Å; N43-F72 WeakPolarHBondContact OD1-CE2 3.41Å
44A94.1Very high89.7Confident13 Ų1351.1 Ų51.111%0.10727%0.266CS..EExtended strand (participates in β ladder)trans-12195.5166.100000108S5 L69 Y318 Y319S5-A44 VanDerWaalsContact CB-O 3.31Å; S5-A44 WeakPolarHBondContact CB-O 3.36Å; A44-L69 HydrophobicContact CB-CD2 3.57Å; A44-Y318 HydrophobicContact CB-CE1 3.91Å; A44-Y319 PolarHBondContact O-OH 2.92Å
45Q95Very high90.3Very high0 Ų051.3 Ų51.30%027%0.265CS..EExtended strand (participates in β ladder)trans-93.2118.9-169.6-176.554.252.300111.7S5 A6 I19 T25 S47 M68S5-Q45 PolarHBondContact OG-NE2 3.31Å; A6-Q45 PolarHBondContact O-NE2 3.09Å; I19-Q45 HydrophobicContact CG2-CG 4.01Å; T25-Q45 HydrophobicContact CG2-CG 4.16Å; Q45-S47 PolarHBondContact O-N 3.39Å; Q45-S47 PolarHBondContact O-OG 3.18Å; Q45-M68 PolarHBondContact N-O 2.86Å; Q45-M68 PolarHBondContact O-N 3.27Å
46K95.4Very high90.9Very high3 Ų345 Ų451%0.01323%0.227CC..EExtended strand (participates in β ladder)trans-59.2127.8166-60.7177.4-67.8-176.40109.2S5 L8 F266 D270 Y319 E321S5-K46 WeakPolarHBondContact OG-CE 3.43Å; S5-K46 WeakPolarHBondContact OG-CG 3.45Å; S5-K46 PolarHBondContact OG-N 3.46Å; L8-K46 HydrophobicContact CD2-CB 3.86Å; L8-K46 WeakPolarHBondContact CD2-O 3.46Å; L8-K46 HydrophobicContact CG-CB 4.06Å; K46-F266 HydrophobicContact CD-CD1 3.28Å; K46-F266 HydrophobicContact CD-CE1 3.48Å; K46-F266 VanDerWaalsContact CD-CE1 3.48Å; K46-F266 HydrophobicContact CD-CG 4.17Å; K46-F266 HydrophobicContact CD-CZ 4.5Å; K46-F266 HydrophobicContact CG-CD1 4.41Å; K46-F266 HydrophobicContact CG-CE1 4.43Å; K46-D270 IonicContact NZ-OD1 2.85Å; K46-D270 PolarHBondContact NZ-OD1 3.28Å; K46-D270 IonicContact NZ-OD2 3.94Å; K46-D270 PolarHBondContact NZ-OD2 2.92Å; K46-D270 VanDerWaalsContact NZ-OD2 3.13Å; K46-Y319 HydrophobicContact CD-CD1 3.9Å; K46-Y319 HydrophobicContact CD-CE1 3.72Å; K46-Y319 HydrophobicContact CG-CD1 4.32Å; K46-Y319 HydrophobicContact CG-CE1 3.65Å; K46-E321 IonicContact NZ-OE1 3.4Å; K46-E321 PolarHBondContact NZ-OE1 3.4Å
47S94.9Very high91.2Very high0 Ų044.3 Ų44.30%022%0.223CC..EExtended strand (participates in β ladder)trans-134.8140.2-175.8-61.10000111I19 Q45 M65 F66I19-S47 CarbonylContact O-C 3.6Å; I19-S47 WeakPolarHBondContact O-CA 3.31Å; Q45-S47 PolarHBondContact O-N 3.39Å; Q45-S47 PolarHBondContact O-OG 3.18Å; S47-M65 CarbonylContact O-C 3.59Å; S47-M65 WeakPolarHBondContact O-CA 3.48Å; S47-M65 WeakPolarHBondContact O-CG 3.46Å; S47-F66 PolarHBondContact N-O 2.94Å; S47-F66 PolarHBondContact O-N 3.15Å
48I95.3Very high91.3Very high3 Ų339.3 Ų39.32%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-115.3132.3172-77170000110.5L8 W18 I19 N20 T50 T64 M65 A267L8-I48 HydrophobicContact CB-CD1 4.5Å; L8-I48 HydrophobicContact CD1-CD1 3.78Å; L8-I48 HydrophobicContact CD1-CG1 4.32Å; L8-I48 HydrophobicContact CD2-CB 4.39Å; L8-I48 HydrophobicContact CD2-CD1 4.02Å; L8-I48 HydrophobicContact CD2-CG1 3.83Å; L8-I48 HydrophobicContact CG-CD1 4.34Å; W18-I48 HydrophobicContact CB-CB 3.88Å; W18-I48 HydrophobicContact CB-CG2 4.01Å; W18-I48 HydrophobicContact CD2-CB 4.5Å; W18-I48 HydrophobicContact CD2-CD1 4.08Å; W18-I48 HydrophobicContact CD2-CG2 4.34Å; W18-I48 HydrophobicContact CE3-CD1 4.01Å; W18-I48 HydrophobicContact CG-CB 4.04Å; W18-I48 HydrophobicContact CG-CD1 4.5Å; W18-I48 HydrophobicContact CG-CG2 3.77Å; W18-I48 HydrophobicContact CZ3-CD1 4.32Å; I19-I48 PolarHBondContact O-N 3.42Å; N20-I48 WeakPolarHBondContact CA-O 3.43Å; N20-I48 WeakPolarHBondContact CB-O 3.47Å; I48-T50 HydrophobicContact CG2-CG2 4.41Å; I48-T64 CarbonylContact C-O 3.58Å; I48-T64 WeakPolarHBondContact CA-O 3.23Å; I48-T64 HydrophobicContact CG2-CG2 4.43Å; I48-M65 HydrophobicContact CG1-CB 3.95Å; I48-M65 HydrophobicContact CG1-CG 4.02Å; I48-A267 HydrophobicContact CD1-CB 4.24Å
49R90.4Very high91.3Very high103 Ų10337.7 Ų37.739%0.38919%0.191SC..  trans-115.6124.9169.6-76.6179.7-175.4-175.63.8110.6D52 T64 F66R49-D52 WeakPolarHBondContact CD-OD2 3.5Å; R49-T64 PolarHBondContact N-O 2.84Å; R49-F66 HydrophobicContact CB-CE1 4.07Å; R49-F66 HydrophobicContact CG-CE1 3.61Å; R49-F66 HydrophobicContact CG-CZ 3.86Å
50T86.1Confident91.1Very high47 Ų4736.3 Ų36.329%0.28818%0.183SC..SBendtrans-89.4-22.8-178.751.20000113.7L17 I48 D52 I53 V282L17-T50 HydrophobicContact CD2-CG2 4.49Å; I48-T50 HydrophobicContact CG2-CG2 4.41Å; T50-D52 PolarHBondContact O-N 3.09Å; T50-I53 HydrophobicContact CG2-CD1 4.45Å; T50-I53 WeakPolarHBondContact O-CG1 3.07Å; T50-V282 HydrophobicContact CG2-CG1 4.08Å; T50-V282 HydrophobicContact CG2-CG2 4.14Å
51N81.8Confident90.9Very high148 Ų14832 Ų3279%0.79117%0.167SC*.THydrogen-bonded Turntrans-71.2-22.6-176.4-62.9-6.6000112
52D84Confident90.7Very high30 Ų3033.7 Ų33.716%0.1618%0.175CC..THydrogen-bonded Turntrans-99.1-0.8-172-57.3-36.2000113.6R49 T50 E54 N55 V56 H62R49-D52 WeakPolarHBondContact CD-OD2 3.5Å; T50-D52 PolarHBondContact O-N 3.09Å; D52-E54 PolarHBondContact O-N 2.89Å; D52-E54 VanDerWaalsContact O-N 3.11Å; D52-N55 WeakPolarHBondContact O-CB 3.3Å; D52-N55 PolarHBondContact O-N 2.99Å; D52-V56 PolarHBondContact O-N 2.86Å; D52-H62 HydrophobicContact CB-CB 4.28Å; D52-H62 IonicContact OD1-CD2 3.96Å
53I89.1Confident90.7Very high1 Ų132.7 Ų32.71%0.00516%0.164CC..G310 helixtrans-53.1-39.4-173-71172.9000111.8T50 N55 V56 T64 V282 L286 R289T50-I53 HydrophobicContact CG2-CD1 4.45Å; T50-I53 WeakPolarHBondContact O-CG1 3.07Å; I53-N55 VanDerWaalsContact C-N 3.32Å; I53-N55 PolarHBondContact O-N 2.89Å; I53-V56 WeakPolarHBondContact O-CB 3.39Å; I53-V56 PolarHBondContact O-N 3.15Å; I53-T64 HydrophobicContact CG1-CG2 4.3Å; I53-V282 HydrophobicContact CD1-CG1 4.24Å; I53-L286 HydrophobicContact CD1-CD2 3.96Å; I53-L286 HydrophobicContact CG1-CD2 4.13Å; I53-L286 HydrophobicContact CG2-CD2 4.16Å; I53-R289 PolarHBondContact O-NH1 2.86Å; I53-R289 VanDerWaalsContact O-NH1 3.11Å
54E86Confident90.8Very high43 Ų4332.2 Ų32.220%0.20116%0.162CC..G310 helixtrans-76.4-18.2-178.4-59.8-52.5154.300114.4D52 K58 R285D52-E54 PolarHBondContact O-N 2.89Å; D52-E54 VanDerWaalsContact O-N 3.11Å; E54-K58 WeakPolarHBondContact O-CD 3.23Å; E54-K58 WeakPolarHBondContact O-CE 3.07Å; E54-K58 PolarHBondContact O-NZ 3.27Å; E54-R285 IonicContact OE1-CZ 2.89Å; E54-R285 IonicContact OE1-NE 3.5Å; E54-R285 IonicContact OE1-NH2 3.13Å; E54-R285 PolarHBondContact OE1-NH2 2.8Å
55N90.2Very high90.9Very high66 Ų6631.6 Ų31.635%0.35316%0.157SC..G310 helixtrans-87.1-14.8176.4-67.6-33.8000112.5D52 I53 G57 K58 T59 H62D52-N55 WeakPolarHBondContact O-CB 3.3Å; D52-N55 PolarHBondContact O-N 2.99Å; I53-N55 VanDerWaalsContact C-N 3.32Å; I53-N55 PolarHBondContact O-N 2.89Å; N55-G57 PolarHBondContact O-N 2.91Å; N55-K58 PolarHBondContact O-N 2.93Å; N55-K58 VanDerWaalsContact O-N 3.12Å; N55-T59 HydrophobicContact CB-CG2 4.1Å; N55-T59 PolarHBondContact O-N 2.82Å; N55-T59 VanDerWaalsContact O-N 3.1Å; N55-T59 PolarHBondContact O-OG1 2.81Å; N55-T59 VanDerWaalsContact O-OG1 3.07Å; N55-H62 HydrophobicContact CB-CB 3.85Å
56V93.4Very high90.9Very high0 Ų032.7 Ų32.70%016%0.161CC..THydrogen-bonded Turntrans-59.6127178.3175.40000110D52 I53 K58 F224 V256 D259D52-V56 PolarHBondContact O-N 2.86Å; I53-V56 WeakPolarHBondContact O-CB 3.39Å; I53-V56 PolarHBondContact O-N 3.15Å; V56-K58 PolarHBondContact O-N 3.33Å; V56-F224 HydrophobicContact CG1-CZ 4.36Å; V56-V256 HydrophobicContact CG1-CG2 4.33Å; V56-V256 VanDerWaalsContact O-CG2 3.27Å; V56-V256 WeakPolarHBondContact O-CG2 3.35Å; V56-D259 HydrophobicContact CG1-CB 3.64Å; V56-D259 WeakPolarHBondContact CG1-OD2 3.02Å
57G90.9Very high90.9Very high2 Ų232.6 Ų32.62%0.02116%0.161CC..THydrogen-bonded Turntrans80.6-20.2-178.900000115N55N55-G57 PolarHBondContact O-N 2.91Å
58K90.1Very high90.9Very high88 Ų8833.6 Ų33.638%0.38317%0.166SC..THydrogen-bonded Turntrans-84.6-38.6175.5-62.1-179.1-172.7159.80112E54 N55 V56 I252E54-K58 WeakPolarHBondContact O-CD 3.23Å; E54-K58 WeakPolarHBondContact O-CE 3.07Å; E54-K58 PolarHBondContact O-NZ 3.27Å; N55-K58 PolarHBondContact O-N 2.93Å; N55-K58 VanDerWaalsContact O-N 3.12Å; V56-K58 PolarHBondContact O-N 3.33Å; K58-I252 HydrophobicContact CG-CG2 4.39Å
59T90.6Very high90.9Very high35 Ų3535.5 Ų35.522%0.21518%0.176CC..SBendtrans-101.7165.2178.562.90000111.3N55 R61 H62N55-T59 HydrophobicContact CB-CG2 4.1Å; N55-T59 PolarHBondContact O-N 2.82Å; N55-T59 VanDerWaalsContact O-N 3.1Å; N55-T59 PolarHBondContact O-OG1 2.81Å; N55-T59 VanDerWaalsContact O-OG1 3.07Å; T59-R61 VanDerWaalsContact C-N 3.33Å; T59-H62 WeakPolarHBondContact CB-ND1 3.26Å; T59-H62 WeakPolarHBondContact OG1-CB 3.31Å; T59-H62 PolarHBondContact OG1-N 2.81Å; T59-H62 PolarHBondContact OG1-ND1 2.93Å
60A89Confident91.1Very high13 Ų1330.9 Ų30.911%0.10716%0.16CC..SBendtrans-76.6-20.8-178.300000113.7E175 T222 N223A60-E175 VanDerWaalsContact CB-CD 3.47Å; A60-E175 HydrophobicContact CB-CG 4.38Å; A60-E175 VanDerWaalsContact CB-OE1 3.29Å; A60-E175 WeakPolarHBondContact CB-OE1 3.4Å; A60-E175 WeakPolarHBondContact CB-OE2 3.23Å; A60-E175 PolarHBondContact N-OE1 3.41Å; A60-T222 HydrophobicContact CB-CG2 3.63Å; A60-T222 WeakPolarHBondContact O-CB 3.45Å; A60-N223 PolarHBondContact O-N 3.11Å; A60-N223 VanDerWaalsContact O-N 3.09Å
61R89.5Confident91.5Very high32 Ų3230.3 Ų30.312%0.12116%0.156CC..SBendtrans-123.7-18.1-163.562.7-179.9173.6-1079.2117.1T59 H63 E173 N174 E175 N223T59-R61 VanDerWaalsContact C-N 3.33Å; R61-H63 PolarHBondContact O-CD2 3.14Å; R61-E173 IonicContact CZ-OE2 2.8Å; R61-E173 IonicContact NH2-OE2 2.54Å; R61-E173 PolarHBondContact NH2-OE2 2.85Å; R61-N174 PolarHBondContact NH1-O 2.99Å; R61-E175 IonicContact CZ-OE2 2.68Å; R61-E175 IonicContact NH1-OE1 3.78Å; R61-E175 PolarHBondContact NH1-OE1 3.46Å; R61-E175 IonicContact NH1-OE2 3.24Å; R61-E175 PolarHBondContact NH1-OE2 2.94Å; R61-N223 WeakPolarHBondContact CA-ND2 3.27Å; R61-N223 PolarHBondContact O-ND2 3.31Å
62H91.9Very high92.1Very high40 Ų4023.2 Ų23.219%0.18512%0.118CC..  trans-80.1134-175.5-66.391.6000112.5D52 N55 T59D52-H62 HydrophobicContact CB-CB 4.28Å; D52-H62 IonicContact OD1-CD2 3.96Å; N55-H62 HydrophobicContact CB-CB 3.85Å; T59-H62 WeakPolarHBondContact CB-ND1 3.26Å; T59-H62 WeakPolarHBondContact OG1-CB 3.31Å; T59-H62 PolarHBondContact OG1-N 2.81Å; T59-H62 PolarHBondContact OG1-ND1 2.93Å
63H94.2Very high92.7Very high9 Ų921.8 Ų21.84%0.04211%0.11CC..  trans-133.2150.8180-59.5-52.9000110.1R61 M65 F66 N223 F224 F229 D259R61-H63 PolarHBondContact O-CD2 3.14Å; H63-M65 WeakPolarHBondContact CB-O 3.11Å; H63-F66 HydrophobicContact CB-CB 4.34Å; H63-F66 HydrophobicContact CB-CD1 4.5Å; H63-N223 WeakPolarHBondContact CE1-CB 3.38Å; H63-N223 WeakPolarHBondContact NE2-CB 3.49Å; H63-N223 PolarHBondContact NE2-ND2 3.32Å; H63-F224 AromaticContact CE1-CZ 3.86Å; H63-F224 AromaticContact ND1-CE1 3.99Å; H63-F224 AromaticContact ND1-CZ 3.71Å; H63-F229 AromaticContact CE1-CE2 3.92Å; H63-F229 AromaticContact CE1-CZ 3.52Å; H63-F229 AromaticContact ND1-CZ 3.77Å; H63-D259 WeakPolarHBondContact CA-OD1 3.24Å; H63-D259 WeakPolarHBondContact CB-OD1 3.26Å; H63-D259 IonicContact ND1-OD1 2.76Å
64T94.9Very high92.8Very high0 Ų023.1 Ų23.10%012%0.117CC..SBendtrans-74-42.9170.3-56.60000110.3I48 R49 I53 D259 H260 S263 L286I48-T64 CarbonylContact C-O 3.58Å; I48-T64 WeakPolarHBondContact CA-O 3.23Å; I48-T64 HydrophobicContact CG2-CG2 4.43Å; R49-T64 PolarHBondContact N-O 2.84Å; I53-T64 HydrophobicContact CG1-CG2 4.3Å; T64-D259 WeakPolarHBondContact CB-OD2 3.44Å; T64-D259 PolarHBondContact N-OD1 2.9Å; T64-D259 PolarHBondContact N-OD2 3.33Å; T64-D259 PolarHBondContact OG1-OD2 2.92Å; T64-H260 PolarHBondContact OG1-CE1 2.88Å; T64-H260 PolarHBondContact OG1-ND1 2.97Å; T64-S263 VanDerWaalsContact CB-OG 3.31Å; T64-S263 WeakPolarHBondContact CB-OG 3.38Å; T64-L286 HydrophobicContact CG2-CD1 3.64Å; T64-L286 HydrophobicContact CG2-CD2 3.59Å; T64-L286 HydrophobicContact CG2-CG 4.24Å
65M95.4Very high93Very high0 Ų023.1 Ų23.10%013%0.128CC..EExtended strand (participates in β ladder)trans-125.1136.6176.5-172.8-74-113.200109S47 I48 H63 E67 R262 S263 F266S47-M65 CarbonylContact O-C 3.59Å; S47-M65 WeakPolarHBondContact O-CA 3.48Å; S47-M65 WeakPolarHBondContact O-CG 3.46Å; I48-M65 HydrophobicContact CG1-CB 3.95Å; I48-M65 HydrophobicContact CG1-CG 4.02Å; H63-M65 WeakPolarHBondContact CB-O 3.11Å; M65-E67 VanDerWaalsContact SD-OE2 3.41Å; M65-R262 HydrophobicContact CE-CG 4.21Å; M65-R262 PolarHBondContact O-NH2 2.82Å; M65-S263 WeakPolarHBondContact CB-OG 3.41Å; M65-S263 PolarHBondContact N-OG 3.06Å; M65-F266 HydrophobicContact CE-CB 3.98Å; M65-F266 HydrophobicContact CE-CD1 4.21Å; M65-F266 HydrophobicContact CE-CD2 3.04Å; M65-F266 HydrophobicContact CE-CE1 4.44Å; M65-F266 HydrophobicContact CE-CE2 3.34Å; M65-F266 HydrophobicContact CE-CG 3.49Å; M65-F266 VanDerWaalsContact CE-CG 3.49Å; M65-F266 HydrophobicContact CE-CZ 4.04Å
66F95.4Very high93.1Very high23 Ų2323.6 Ų23.610%0.10113%0.131CC..EExtended strand (participates in β ladder)trans-148163.8175.956.6-85.5000110.6S47 R49 H63 M68 E211S47-F66 PolarHBondContact N-O 2.94Å; S47-F66 PolarHBondContact O-N 3.15Å; R49-F66 HydrophobicContact CB-CE1 4.07Å; R49-F66 HydrophobicContact CG-CE1 3.61Å; R49-F66 HydrophobicContact CG-CZ 3.86Å; H63-F66 HydrophobicContact CB-CB 4.34Å; H63-F66 HydrophobicContact CB-CD1 4.5Å; F66-M68 HydrophobicContact CE2-CB 4.38Å; F66-M68 HydrophobicContact CE2-CE 3.77Å; F66-M68 HydrophobicContact CZ-CE 4.4Å; F66-E211 WeakPolarHBondContact CA-OE1 3.41Å; F66-E211 WeakPolarHBondContact CB-OE2 3.44Å
67E95.2Very high93.2Very high1 Ų124.2 Ų24.21%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-99.8118177.3-68.693.6109.600110.6M65 L210 E211 R262 M315 Y319M65-E67 VanDerWaalsContact SD-OE2 3.41Å; E67-L210 HydrophobicContact CB-CB 3.94Å; E67-L210 HydrophobicContact CB-CD2 3.89Å; E67-L210 HydrophobicContact CG-CD2 4.29Å; E67-L210 PolarHBondContact O-N 3.28Å; E67-L210 VanDerWaalsContact O-N 3.09Å; E67-E211 PolarHBondContact N-OE1 3.27Å; E67-E211 PolarHBondContact N-OE2 3.17Å; E67-R262 IonicContact OE2-CZ 3.46Å; E67-R262 IonicContact OE2-NH1 2.75Å; E67-R262 PolarHBondContact OE2-NH1 2.94Å; E67-R262 IonicContact OE2-NH2 3.39Å; E67-M315 WeakPolarHBondContact OE1-CE 3.21Å; E67-Y319 HydrophobicContact CG-CE2 4.18Å
68M94.9Very high93.5Very high22 Ų2225.1 Ų25.111%0.10814%0.137CC..EExtended strand (participates in β ladder)trans-94.6111.1175.4-171.6171.3-7000109.4G22 Q45 F66G22-M68 PolarHBondContact N-SD 2.9Å; Q45-M68 PolarHBondContact N-O 2.86Å; Q45-M68 PolarHBondContact O-N 3.27Å; F66-M68 HydrophobicContact CE2-CB 4.38Å; F66-M68 HydrophobicContact CE2-CE 3.77Å; F66-M68 HydrophobicContact CZ-CE 4.4Å
69L95.9Very high93.9Very high42 Ų4221.2 Ų21.222%0.2212%0.12CC..EExtended strand (participates in β ladder)trans-82.8122.1174.2-51.7177.7000108.2A44 M208 L210A44-L69 HydrophobicContact CB-CD2 3.57Å; L69-M208 HydrophobicContact CB-CB 4.19Å; L69-M208 HydrophobicContact CB-CE 4.11Å; L69-M208 WeakPolarHBondContact CB-O 3.4Å; L69-M208 HydrophobicContact CD1-CE 3.59Å; L69-M208 HydrophobicContact CD1-CG 4.42Å; L69-M208 PolarHBondContact N-O 2.99Å; L69-M208 PolarHBondContact O-N 3.07Å; L69-L210 HydrophobicContact CD1-CB 4.22Å; L69-L210 HydrophobicContact CD1-CD1 4.03Å; L69-L210 HydrophobicContact CD2-CB 4.44Å; L69-L210 HydrophobicContact CG-CB 4.22Å
70G94.7Very high94.2Very high6 Ų621.4 Ų21.46%0.06212%0.121CC..EExtended strand (participates in β ladder)trans-133.3146-176.200000113A42 N43 T206A42-G70 CarbonylContact C-O 3.53Å; A42-G70 WeakPolarHBondContact CA-O 3.36Å; N43-G70 PolarHBondContact N-O 3.08Å; N43-G70 PolarHBondContact O-N 3.33Å; G70-T206 WeakPolarHBondContact CA-O 3.27Å
71N95.1Very high94.6Very high35 Ų3524.4 Ų24.419%0.18713%0.132CC..EExtended strand (participates in β ladder)trans-123.1136.8162.764.7-81.8000109.4I41 A42 Y77 W181 T206I41-N71 CarbonylContact O-C 3.58Å; I41-N71 VanDerWaalsContact O-CA 3.29Å; I41-N71 WeakPolarHBondContact O-CA 3.34Å; A42-N71 HydrophobicContact CB-CB 4.43Å; N71-Y77 PolarHBondContact ND2-OH 3.36Å; N71-W181 WeakPolarHBondContact OD1-CZ2 3.5Å; N71-T206 PolarHBondContact N-OG1 3.32Å; N71-T206 PolarHBondContact O-N 3.46Å; N71-T206 PolarHBondContact O-OG1 3.01Å; N71-T206 WeakPolarHBondContact OD1-CG2 3.45Å; N71-T206 PolarHBondContact OD1-OG1 3.31Å
72F94.9Very high95Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-124.4143.1-174.6-41.4-94000110.2M26 F30 I41 N43 Y77 I204 D205M26-F72 HydrophobicContact CB-CD1 4.45Å; M26-F72 HydrophobicContact CE-CD2 4.27Å; M26-F72 HydrophobicContact CE-CE2 3.86Å; M26-F72 HydrophobicContact CE-CZ 4.34Å; M26-F72 HydrophobicContact CG-CD1 3.98Å; M26-F72 HydrophobicContact CG-CD2 4.13Å; M26-F72 HydrophobicContact CG-CE1 3.81Å; M26-F72 HydrophobicContact CG-CE2 4.01Å; M26-F72 HydrophobicContact CG-CG 4.13Å; M26-F72 HydrophobicContact CG-CZ 3.85Å; F30-F72 HydrophobicContact CE2-CB 4.29Å; F30-F72 AromaticContact CE2-CD1 4Å; F30-F72 HydrophobicContact CE2-CD1 4Å; F30-F72 HydrophobicContact CE2-CG 4.48Å; F30-F72 HydrophobicContact CZ-CB 4.28Å; F30-F72 HydrophobicContact CZ-CD1 4.03Å; I41-F72 HydrophobicContact CB-CB 4.19Å; I41-F72 HydrophobicContact CB-CD2 4.07Å; I41-F72 HydrophobicContact CG2-CD2 4.14Å; I41-F72 PolarHBondContact N-O 3.06Å; I41-F72 PolarHBondContact O-N 3.37Å; N43-F72 VanDerWaalsContact OD1-CE2 3.25Å; N43-F72 WeakPolarHBondContact OD1-CE2 3.41Å; F72-Y77 PolarHBondContact O-OH 3.36Å; F72-I204 CarbonylContact C-O 3.57Å; F72-I204 WeakPolarHBondContact CA-O 3.23Å; F72-D205 HydrophobicContact CD1-CB 4.31Å; F72-D205 WeakPolarHBondContact CD1-OD1 3.36Å; F72-D205 WeakPolarHBondContact CE1-OD1 3.43Å
73S94.9Very high95.3Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-118.4123.9169.1-1790000108.5P39 D76 Y77 N203 I204P39-S73 WeakPolarHBondContact O-CA 3.26Å; S73-D76 PolarHBondContact OG-N 3.03Å; S73-Y77 VanDerWaalsContact CB-CE1 3.41Å; S73-Y77 WeakPolarHBondContact CB-O 3.12Å; S73-Y77 WeakPolarHBondContact OG-CD1 3.24Å; S73-Y77 PolarHBondContact OG-N 3Å; S73-Y77 PolarHBondContact OG-O 2.85Å; S73-N203 CarbonylContact O-C 3.59Å; S73-N203 WeakPolarHBondContact O-CA 3.34Å; S73-N203 WeakPolarHBondContact O-CB 3.32Å; S73-N203 PolarHBondContact O-OD1 3.46Å; S73-I204 PolarHBondContact N-O 3.1Å; S73-I204 PolarHBondContact O-N 3.28Å
74I91.7Very high95.5Very high29 Ų2924.6 Ų24.615%0.14914%0.135CC..EExtended strand (participates in β ladder)trans-104.184.5172.6-49.7-59.3000107.9F30 P36 P39 I41 D76 N203F30-I74 HydrophobicContact CD2-CD1 3.64Å; F30-I74 HydrophobicContact CE1-CD1 4.48Å; F30-I74 HydrophobicContact CE2-CD1 3.57Å; F30-I74 HydrophobicContact CG-CD1 4.14Å; F30-I74 HydrophobicContact CZ-CD1 4.01Å; P36-I74 HydrophobicContact CG-CB 4.05Å; P36-I74 HydrophobicContact CG-CG1 4.05Å; P36-I74 HydrophobicContact CG-CG2 4.2Å; P39-I74 HydrophobicContact CB-CB 4.32Å; P39-I74 VanDerWaalsContact CB-O 3.26Å; P39-I74 WeakPolarHBondContact CB-O 3.37Å; P39-I74 PolarHBondContact O-N 2.79Å; I41-I74 HydrophobicContact CD1-CG1 4.24Å; I74-D76 VanDerWaalsContact C-N 3.34Å; I74-D76 PolarHBondContact O-N 3.45Å; I74-N203 WeakPolarHBondContact CA-OD1 3.18Å
75G89.8Confident95.6Very high42 Ų4229.1 Ų29.143%0.43315%0.152SC..SBendtrans66.221.3178.400000116.8Q202 N203G75-Q202 WeakPolarHBondContact CA-O 3.19Å; G75-Q202 PolarHBondContact N-O 2.92Å; G75-N203 PolarHBondContact N-OD1 3.1Å
76D93.4Very high95.7Very high77 Ų7729.2 Ų29.241%0.41215%0.153SC..SBendtrans-105.4-64.8-177.9-17871.8000113.5P39 R40 S73 I74P39-D76 HydrophobicContact CB-CB 3.84Å; P39-D76 HydrophobicContact CG-CB 3.76Å; R40-D76 WeakPolarHBondContact CG-OD2 3.11Å; R40-D76 IonicContact CZ-OD2 3.19Å; R40-D76 IonicContact NE-OD2 2.66Å; R40-D76 PolarHBondContact NE-OD2 2.9Å; R40-D76 IonicContact NH2-OD2 2.85Å; R40-D76 PolarHBondContact NH2-OD2 3.09Å; S73-D76 PolarHBondContact OG-N 3.03Å; I74-D76 VanDerWaalsContact C-N 3.34Å; I74-D76 PolarHBondContact O-N 3.45Å
77Y96Very high95.9Very high12 Ų1229.9 Ų29.95%0.04716%0.155CC..  trans-114.1161.1173.368.7-88.4000111.4R40 N71 F72 S73 E81 A82 W85 I204R40-Y77 HydrophobicContact CB-CE1 4.41Å; R40-Y77 HydrophobicContact CG-CD1 4.13Å; R40-Y77 HydrophobicContact CG-CE1 4Å; N71-Y77 PolarHBondContact ND2-OH 3.36Å; F72-Y77 PolarHBondContact O-OH 3.36Å; S73-Y77 VanDerWaalsContact CB-CE1 3.41Å; S73-Y77 WeakPolarHBondContact CB-O 3.12Å; S73-Y77 WeakPolarHBondContact OG-CD1 3.24Å; S73-Y77 PolarHBondContact OG-N 3Å; S73-Y77 PolarHBondContact OG-O 2.85Å; Y77-E81 HydrophobicContact CD2-CB 4.05Å; Y77-E81 HydrophobicContact CG-CB 4.29Å; Y77-A82 HydrophobicContact CD2-CB 4.37Å; Y77-A82 HydrophobicContact CE2-CB 4.22Å; Y77-W85 HydrophobicContact CD1-CH2 4.15Å; Y77-W85 AromaticContact CD1-CZ3 3.81Å; Y77-W85 HydrophobicContact CD1-CZ3 3.81Å; Y77-W85 HydrophobicContact CD2-CE3 4.32Å; Y77-W85 HydrophobicContact CD2-CH2 4.41Å; Y77-W85 AromaticContact CD2-CZ3 3.74Å; Y77-W85 HydrophobicContact CD2-CZ3 3.74Å; Y77-W85 AromaticContact CE1-CZ3 3.85Å; Y77-W85 HydrophobicContact CE1-CZ3 3.85Å; Y77-W85 HydrophobicContact CE2-CE3 4.14Å; Y77-W85 AromaticContact CE2-CZ3 3.77Å; Y77-W85 HydrophobicContact CE2-CZ3 3.77Å; Y77-W85 HydrophobicContact CG-CH2 4.08Å; Y77-W85 AromaticContact CG-CZ3 3.77Å; Y77-W85 HydrophobicContact CG-CZ3 3.77Å; Y77-W85 AromaticContact CZ-CZ3 3.84Å; Y77-I204 HydrophobicContact CD2-CG1 4.05Å; Y77-I204 HydrophobicContact CE2-CB 4.03Å; Y77-I204 HydrophobicContact CE2-CG1 3.93Å; Y77-I204 HydrophobicContact CE2-CG2 4.1Å
78F96.2Very high96Very high22 Ų2234.1 Ų34.110%0.09618%0.175CC..  trans-138.6-139.7-177.8-164.2-128.4000111.7V80 E81 A82 F185 E187 Q202 N203 I204F78-V80 PolarHBondContact O-N 3.45Å; F78-E81 PolarHBondContact N-OE2 2.94Å; F78-A82 WeakPolarHBondContact O-CB 3.31Å; F78-A82 PolarHBondContact O-N 2.98Å; F78-F185 HydrophobicContact CE2-CB 3.87Å; F78-F185 HydrophobicContact CZ-CB 3.74Å; F78-E187 HydrophobicContact CZ-CB 4.16Å; F78-Q202 HydrophobicContact CD1-CB 4.34Å; F78-Q202 HydrophobicContact CD2-CB 3.74Å; F78-Q202 HydrophobicContact CE1-CB 4.31Å; F78-Q202 VanDerWaalsContact CE1-CD 3.47Å; F78-Q202 HydrophobicContact CE1-CG 4.22Å; F78-Q202 HydrophobicContact CE2-CB 3.72Å; F78-Q202 HydrophobicContact CE2-CG 4.25Å; F78-Q202 HydrophobicContact CG-CB 4.07Å; F78-Q202 HydrophobicContact CZ-CB 4Å; F78-Q202 HydrophobicContact CZ-CG 4.03Å; F78-N203 WeakPolarHBondContact CE2-O 3.42Å; F78-I204 HydrophobicContact CD2-CD1 3.58Å; F78-I204 HydrophobicContact CD2-CG1 4.1Å; F78-I204 HydrophobicContact CE2-CD1 4.06Å; F78-I204 HydrophobicContact CG-CD1 4.36Å
79K97.7Very high96.1Very high5 Ų536.4 Ų36.42%0.02218%0.184CC..Hα-helixtrans-56.2-48.1-169.6-75.2173-176.3179.10113.8A82 I83 D111 E113 I117 F185 E187K79-A82 PolarHBondContact O-N 3.42Å; K79-I83 HydrophobicContact CB-CD1 4.48Å; K79-I83 VanDerWaalsContact O-CB 3.27Å; K79-I83 WeakPolarHBondContact O-CB 3.48Å; K79-I83 WeakPolarHBondContact O-CD1 3.35Å; K79-I83 VanDerWaalsContact O-CG1 3.23Å; K79-I83 WeakPolarHBondContact O-CG1 3.4Å; K79-I83 PolarHBondContact O-N 2.95Å; K79-D111 WeakPolarHBondContact CE-OD2 3.5Å; K79-D111 IonicContact NZ-OD1 3.71Å; K79-D111 PolarHBondContact NZ-OD1 2.93Å; K79-D111 IonicContact NZ-OD2 3.71Å; K79-D111 PolarHBondContact NZ-OD2 2.91Å; K79-E113 HydrophobicContact CD-CB 4.21Å; K79-E113 HydrophobicContact CD-CG 3.97Å; K79-E113 IonicContact NZ-OE2 2.83Å; K79-I117 HydrophobicContact CB-CD1 3.68Å; K79-F185 HydrophobicContact CB-CD1 4.44Å; K79-F185 HydrophobicContact CB-CE1 4.36Å; K79-F185 HydrophobicContact CD-CD1 4.5Å; K79-F185 HydrophobicContact CD-CD2 4.25Å; K79-F185 HydrophobicContact CD-CG 4.18Å; K79-F185 HydrophobicContact CG-CB 4.19Å; K79-F185 HydrophobicContact CG-CD1 3.49Å; K79-F185 VanDerWaalsContact CG-CD1 3.49Å; K79-F185 HydrophobicContact CG-CD2 4.04Å; K79-F185 HydrophobicContact CG-CE1 3.78Å; K79-F185 HydrophobicContact CG-CE2 4.29Å; K79-F185 HydrophobicContact CG-CG 3.63Å; K79-F185 HydrophobicContact CG-CZ 4.18Å; K79-E187 IonicContact NZ-OE1 2.87Å
80V97.8Very high96.2Very high39 Ų3934.4 Ų34.424%0.23617%0.174CC..Hα-helixtrans-59.6-57.8-175.5176.60000110.2F78 A82 I83 E84 I117 E121F78-V80 PolarHBondContact O-N 3.45Å; V80-A82 PolarHBondContact O-N 3.12Å; V80-I83 PolarHBondContact O-N 3.22Å; V80-E84 WeakPolarHBondContact O-CB 3.39Å; V80-E84 WeakPolarHBondContact O-CG 3.43Å; V80-E84 PolarHBondContact O-N 3.32Å; V80-I117 HydrophobicContact CB-CD1 4.43Å; V80-I117 HydrophobicContact CG2-CD1 3.68Å; V80-I117 HydrophobicContact CG2-CG1 4.11Å; V80-E121 WeakPolarHBondContact CG1-OE2 3.46Å
81E97.9Very high96.4Very high76 Ų7635.2 Ų35.236%0.35518%0.178SC..Hα-helixtrans-67.3-38-177.5-59.285.2174.400112.2Y77 F78 W85Y77-E81 HydrophobicContact CD2-CB 4.05Å; Y77-E81 HydrophobicContact CG-CB 4.29Å; F78-E81 PolarHBondContact N-OE2 2.94Å; E81-W85 HydrophobicContact CB-CD2 4.29Å; E81-W85 HydrophobicContact CB-CE3 4.35Å; E81-W85 HydrophobicContact CB-CH2 4.01Å; E81-W85 HydrophobicContact CB-CZ2 3.94Å; E81-W85 HydrophobicContact CB-CZ3 4.22Å; E81-W85 HydrophobicContact CG-CZ2 4.29Å; E81-W85 VanDerWaalsContact O-CB 3.28Å; E81-W85 WeakPolarHBondContact O-CB 3.5Å; E81-W85 VanDerWaalsContact O-CD2 3.31Å; E81-W85 PolarHBondContact O-N 3.31Å
82A97.7Very high96.5Very high3 Ų334.6 Ų34.63%0.02518%0.176CC..Hα-helixtrans-62.9-45.2179.200000111.9Y77 F78 K79 V80 A86 I204Y77-A82 HydrophobicContact CD2-CB 4.37Å; Y77-A82 HydrophobicContact CE2-CB 4.22Å; F78-A82 WeakPolarHBondContact O-CB 3.31Å; F78-A82 PolarHBondContact O-N 2.98Å; K79-A82 PolarHBondContact O-N 3.42Å; V80-A82 PolarHBondContact O-N 3.12Å; A82-A86 VanDerWaalsContact O-CB 3.23Å; A82-A86 WeakPolarHBondContact O-CB 3.4Å; A82-A86 PolarHBondContact O-N 3.26Å; A82-I204 HydrophobicContact CB-CD1 3.8Å; A82-I204 HydrophobicContact CB-CG1 4.02Å; A82-I204 HydrophobicContact CB-CG2 4.08Å
83I98.5Very high96.6Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-68.6-47178.9-70.4168.7000110.7K79 V80 W85 A86 W87 A114 I117 W118 V122 L183 F185K79-I83 HydrophobicContact CB-CD1 4.48Å; K79-I83 VanDerWaalsContact O-CB 3.27Å; K79-I83 WeakPolarHBondContact O-CB 3.48Å; K79-I83 WeakPolarHBondContact O-CD1 3.35Å; K79-I83 VanDerWaalsContact O-CG1 3.23Å; K79-I83 WeakPolarHBondContact O-CG1 3.4Å; K79-I83 PolarHBondContact O-N 2.95Å; V80-I83 PolarHBondContact O-N 3.22Å; I83-W85 PolarHBondContact O-N 3.46Å; I83-A86 PolarHBondContact O-N 3.46Å; I83-W87 WeakPolarHBondContact O-CB 3.27Å; I83-W87 PolarHBondContact O-N 2.99Å; I83-A114 HydrophobicContact CD1-CB 4.11Å; I83-I117 HydrophobicContact CB-CG2 3.93Å; I83-I117 HydrophobicContact CD1-CB 4.01Å; I83-I117 HydrophobicContact CD1-CD1 4.12Å; I83-I117 HydrophobicContact CD1-CG2 3.92Å; I83-I117 HydrophobicContact CG2-CG2 3.69Å; I83-W118 HydrophobicContact CB-CZ2 4.43Å; I83-W118 HydrophobicContact CG1-CZ2 4.23Å; I83-W118 HydrophobicContact CG2-CD2 3.65Å; I83-W118 HydrophobicContact CG2-CE3 3.74Å; I83-W118 HydrophobicContact CG2-CG 4.34Å; I83-W118 HydrophobicContact CG2-CH2 3.79Å; I83-W118 HydrophobicContact CG2-CZ2 3.72Å; I83-W118 HydrophobicContact CG2-CZ3 3.8Å; I83-V122 HydrophobicContact CG2-CG2 3.64Å; I83-L183 HydrophobicContact CG1-CD1 4.08Å; I83-F185 HydrophobicContact CD1-CE1 4.47Å; I83-F185 HydrophobicContact CD1-CZ 3.88Å; I83-F185 HydrophobicContact CG1-CE1 4.32Å; I83-F185 HydrophobicContact CG1-CZ 3.98Å
84E98Very high96.7Very high82 Ų8246.6 Ų46.638%0.38325%0.247SC..Hα-helixtrans-60.1-44.9178.9-75.2-174.5157.900111.8V80 W87 E88V80-E84 WeakPolarHBondContact O-CB 3.39Å; V80-E84 WeakPolarHBondContact O-CG 3.43Å; V80-E84 PolarHBondContact O-N 3.32Å; E84-W87 PolarHBondContact O-N 2.95Å; E84-E88 WeakPolarHBondContact O-CB 3.33Å; E84-E88 PolarHBondContact O-N 3.19Å
85W97.5Very high96.9Very high95 Ų9552.2 Ų52.236%0.3627%0.266SS..Hα-helixtrans-71.4-36.4179.6-64.6-17000112.8Y77 E81 I83 W87 E88 F89Y77-W85 HydrophobicContact CD1-CH2 4.15Å; Y77-W85 AromaticContact CD1-CZ3 3.81Å; Y77-W85 HydrophobicContact CD1-CZ3 3.81Å; Y77-W85 HydrophobicContact CD2-CE3 4.32Å; Y77-W85 HydrophobicContact CD2-CH2 4.41Å; Y77-W85 AromaticContact CD2-CZ3 3.74Å; Y77-W85 HydrophobicContact CD2-CZ3 3.74Å; Y77-W85 AromaticContact CE1-CZ3 3.85Å; Y77-W85 HydrophobicContact CE1-CZ3 3.85Å; Y77-W85 HydrophobicContact CE2-CE3 4.14Å; Y77-W85 AromaticContact CE2-CZ3 3.77Å; Y77-W85 HydrophobicContact CE2-CZ3 3.77Å; Y77-W85 HydrophobicContact CG-CH2 4.08Å; Y77-W85 AromaticContact CG-CZ3 3.77Å; Y77-W85 HydrophobicContact CG-CZ3 3.77Å; Y77-W85 AromaticContact CZ-CZ3 3.84Å; E81-W85 HydrophobicContact CB-CD2 4.29Å; E81-W85 HydrophobicContact CB-CE3 4.35Å; E81-W85 HydrophobicContact CB-CH2 4.01Å; E81-W85 HydrophobicContact CB-CZ2 3.94Å; E81-W85 HydrophobicContact CB-CZ3 4.22Å; E81-W85 HydrophobicContact CG-CZ2 4.29Å; E81-W85 VanDerWaalsContact O-CB 3.28Å; E81-W85 WeakPolarHBondContact O-CB 3.5Å; E81-W85 VanDerWaalsContact O-CD2 3.31Å; E81-W85 PolarHBondContact O-N 3.31Å; I83-W85 PolarHBondContact O-N 3.46Å; W85-W87 VanDerWaalsContact C-N 3.33Å; W85-E88 PolarHBondContact O-N 3.04Å; W85-F89 VanDerWaalsContact O-CB 3.27Å; W85-F89 WeakPolarHBondContact O-CB 3.47Å; W85-F89 PolarHBondContact O-N 3.36Å
86A97.7Very high97.2Very high2 Ų252.9 Ų52.92%0.01726%0.259CS..Hα-helixtrans-61.8-45.8174.700000110.7A82 I83 F89 L90 I150 W181 L183A82-A86 VanDerWaalsContact O-CB 3.23Å; A82-A86 WeakPolarHBondContact O-CB 3.4Å; A82-A86 PolarHBondContact O-N 3.26Å; I83-A86 PolarHBondContact O-N 3.46Å; A86-F89 PolarHBondContact O-N 3.27Å; A86-L90 WeakPolarHBondContact O-CG 3.36Å; A86-L90 PolarHBondContact O-N 3.49Å; A86-L90 VanDerWaalsContact O-N 3.13Å; A86-I150 HydrophobicContact CB-CD1 4.03Å; A86-W181 VanDerWaalsContact CA-CZ3 3.43Å; A86-W181 HydrophobicContact CB-CD2 4.46Å; A86-W181 HydrophobicContact CB-CE3 3.95Å; A86-W181 HydrophobicContact CB-CH2 3.84Å; A86-W181 HydrophobicContact CB-CZ2 4.35Å; A86-W181 HydrophobicContact CB-CZ3 3.62Å; A86-L183 HydrophobicContact CB-CD1 3.84Å; A86-L183 HydrophobicContact CB-CD2 3.93Å; A86-L183 HydrophobicContact CB-CG 4.49Å
87W98.1Very high97.3Very high38 Ų3851 Ų5114%0.14426%0.259CS..Hα-helixtrans-63.6-45.9176-173.5-104.6000112.7I83 E84 W85 F89 L90 T91 P100 L103 W118 V122 I124I83-W87 WeakPolarHBondContact O-CB 3.27Å; I83-W87 PolarHBondContact O-N 2.99Å; E84-W87 PolarHBondContact O-N 2.95Å; W85-W87 VanDerWaalsContact C-N 3.33Å; W87-F89 PolarHBondContact O-N 3.42Å; W87-L90 PolarHBondContact O-N 3.12Å; W87-T91 HydrophobicContact CD2-CG2 3.86Å; W87-T91 HydrophobicContact CE3-CG2 4.11Å; W87-T91 HydrophobicContact CG-CG2 4.47Å; W87-T91 HydrophobicContact CH2-CG2 4.13Å; W87-T91 HydrophobicContact CZ2-CG2 3.88Å; W87-T91 HydrophobicContact CZ3-CG2 4.24Å; W87-T91 WeakPolarHBondContact O-CB 3.32Å; W87-T91 PolarHBondContact O-N 3.23Å; W87-T91 PolarHBondContact O-OG1 3.09Å; W87-P100 HydrophobicContact CH2-CB 4.03Å; W87-P100 HydrophobicContact CZ2-CB 3.78Å; W87-P100 HydrophobicContact CZ2-CG 4.45Å; W87-L103 HydrophobicContact CE3-CD1 4.07Å; W87-L103 HydrophobicContact CH2-CB 4.12Å; W87-L103 HydrophobicContact CH2-CD1 4.11Å; W87-L103 HydrophobicContact CZ3-CB 3.72Å; W87-L103 HydrophobicContact CZ3-CD1 3.6Å; W87-L103 HydrophobicContact CZ3-CG 4.32Å; W87-W118 HydrophobicContact CB-CZ3 4.19Å; W87-W118 HydrophobicContact CD2-CZ3 4.23Å; W87-W118 HydrophobicContact CE3-CH2 4.35Å; W87-W118 AromaticContact CE3-CZ3 3.68Å; W87-W118 HydrophobicContact CE3-CZ3 3.68Å; W87-W118 HydrophobicContact CG-CZ3 4.49Å; W87-W118 HydrophobicContact CZ3-CZ3 4.37Å; W87-V122 HydrophobicContact CB-CG1 4.18Å; W87-V122 HydrophobicContact CB-CG2 4.36Å; W87-V122 HydrophobicContact CD2-CG1 3.51Å; W87-V122 HydrophobicContact CE3-CG1 4.17Å; W87-V122 HydrophobicContact CG-CG1 3.49Å; W87-V122 VanDerWaalsContact CG-CG1 3.49Å; W87-V122 HydrophobicContact CG-CG2 4.48Å; W87-V122 HydrophobicContact CZ2-CG1 4.17Å; W87-I124 HydrophobicContact CH2-CD1 3.88Å; W87-I124 HydrophobicContact CH2-CG1 4.01Å; W87-I124 HydrophobicContact CZ3-CD1 3.82Å; W87-I124 HydrophobicContact CZ3-CG1 4.42Å
88E97.7Very high97.4Very high90 Ų9051.5 Ų51.542%0.42126%0.261SS..Hα-helixtrans-58.5-48.4177.1-172.2-166142.100110.8E84 W85 L90 T91 S92 W95E84-E88 WeakPolarHBondContact O-CB 3.33Å; E84-E88 PolarHBondContact O-N 3.19Å; W85-E88 PolarHBondContact O-N 3.04Å; E88-L90 VanDerWaalsContact C-N 3.32Å; E88-L90 PolarHBondContact O-N 2.85Å; E88-T91 PolarHBondContact O-N 3.17Å; E88-S92 WeakPolarHBondContact O-CA 3.48Å; E88-S92 WeakPolarHBondContact O-CB 3.35Å; E88-S92 PolarHBondContact O-N 3.41Å; E88-W95 PolarHBondContact OE1-NE1 3.36Å
89F97.5Very high97.4Very high69 Ų6954.3 Ų54.330%0.30328%0.277SS..Hα-helixtrans-59.7-41.8-179.2-178.8-103.6000112.3W85 A86 W87 W95 I96 W181 M208W85-F89 VanDerWaalsContact O-CB 3.27Å; W85-F89 WeakPolarHBondContact O-CB 3.47Å; W85-F89 PolarHBondContact O-N 3.36Å; A86-F89 PolarHBondContact O-N 3.27Å; W87-F89 PolarHBondContact O-N 3.42Å; F89-W95 HydrophobicContact CD2-CB 4.03Å; F89-W95 HydrophobicContact CD2-CD2 4.46Å; F89-W95 HydrophobicContact CD2-CG 4.14Å; F89-W95 HydrophobicContact CE2-CB 4.44Å; F89-W95 WeakPolarHBondContact O-CB 3.49Å; F89-I96 HydrophobicContact CD1-CG1 4.14Å; F89-I96 HydrophobicContact CE1-CD1 4.11Å; F89-I96 HydrophobicContact CE1-CG1 3.72Å; F89-I96 HydrophobicContact CZ-CD1 3.93Å; F89-I96 HydrophobicContact CZ-CG1 3.93Å; F89-I96 WeakPolarHBondContact O-CB 3.46Å; F89-I96 WeakPolarHBondContact O-CG1 3.3Å; F89-I96 PolarHBondContact O-N 3.27Å; F89-I96 VanDerWaalsContact O-N 3.15Å; F89-W181 HydrophobicContact CB-CH2 4.39Å; F89-W181 HydrophobicContact CB-CZ3 4.27Å; F89-W181 HydrophobicContact CD1-CH2 4.1Å; F89-W181 AromaticContact CD1-CZ3 3.82Å; F89-W181 HydrophobicContact CD1-CZ3 3.82Å; F89-W181 HydrophobicContact CG-CZ3 4.45Å; F89-M208 HydrophobicContact CD1-CE 4.43Å; F89-M208 HydrophobicContact CE1-CE 3.7Å; F89-M208 HydrophobicContact CE1-SD 4.35Å; F89-M208 HydrophobicContact CZ-CE 4.44Å
90L98Very high97.4Very high0 Ų056.7 Ų56.70%029%0.293CS..Hα-helixtrans-75.1-41.4-179.5-68177.5000112.9A86 W87 E88 G97 F98 L103 I150 I180 W181 M213A86-L90 WeakPolarHBondContact O-CG 3.36Å; A86-L90 PolarHBondContact O-N 3.49Å; A86-L90 VanDerWaalsContact O-N 3.13Å; W87-L90 PolarHBondContact O-N 3.12Å; E88-L90 VanDerWaalsContact C-N 3.32Å; E88-L90 PolarHBondContact O-N 2.85Å; L90-G97 PolarHBondContact O-N 3.29Å; L90-F98 HydrophobicContact CD2-CD2 4.23Å; L90-F98 HydrophobicContact CD2-CE2 4.32Å; L90-F98 WeakPolarHBondContact O-CB 3.39Å; L90-F98 PolarHBondContact O-N 3.05Å; L90-L103 HydrophobicContact CB-CD1 4.12Å; L90-L103 HydrophobicContact CD1-CD1 4.39Å; L90-I150 HydrophobicContact CD1-CB 4.49Å; L90-I150 HydrophobicContact CD1-CD1 3.87Å; L90-I150 HydrophobicContact CD1-CG2 3.81Å; L90-I180 HydrophobicContact CD1-CD1 3.83Å; L90-I180 HydrophobicContact CD2-CD1 3.93Å; L90-W181 HydrophobicContact CD1-CE3 3.97Å; L90-W181 HydrophobicContact CD1-CZ3 4.43Å; L90-W181 HydrophobicContact CD2-CE3 4.29Å; L90-W181 HydrophobicContact CD2-CZ3 4.46Å; L90-W181 HydrophobicContact CG-CE3 4.04Å; L90-W181 HydrophobicContact CG-CZ3 4.09Å; L90-M213 HydrophobicContact CD2-CE 3.86Å; L90-M213 HydrophobicContact CD2-SD 4.29Å
91T97.7Very high97.3Very high24 Ų2460 Ų6015%0.14731%0.309CS..Hα-helixtrans-102.8-24.1-167.3630000114.7W87 E88 P100 L103W87-T91 HydrophobicContact CD2-CG2 3.86Å; W87-T91 HydrophobicContact CE3-CG2 4.11Å; W87-T91 HydrophobicContact CG-CG2 4.47Å; W87-T91 HydrophobicContact CH2-CG2 4.13Å; W87-T91 HydrophobicContact CZ2-CG2 3.88Å; W87-T91 HydrophobicContact CZ3-CG2 4.24Å; W87-T91 WeakPolarHBondContact O-CB 3.32Å; W87-T91 PolarHBondContact O-N 3.23Å; W87-T91 PolarHBondContact O-OG1 3.09Å; E88-T91 PolarHBondContact O-N 3.17Å; T91-P100 HydrophobicContact CG2-CB 4.44Å; T91-P100 HydrophobicContact CG2-CG 4.06Å; T91-L103 HydrophobicContact CG2-CD1 3.46Å; T91-L103 VanDerWaalsContact CG2-CD1 3.46Å
92S97.6Very high97.3Very high21 Ų2160 Ų6015%0.14731%0.308CS..  trans-68.1134.4-178.1-179.30000110.4E88 D94 W95 G97E88-S92 WeakPolarHBondContact O-CA 3.48Å; E88-S92 WeakPolarHBondContact O-CB 3.35Å; E88-S92 PolarHBondContact O-N 3.41Å; S92-D94 PolarHBondContact O-N 2.9Å; S92-D94 VanDerWaalsContact O-N 3.13Å; S92-D94 PolarHBondContact OG-N 3.48Å; S92-W95 PolarHBondContact O-N 2.94Å; S92-G97 VanDerWaalsContact O-CA 3.3Å; S92-G97 WeakPolarHBondContact O-CA 3.33Å; S92-G97 PolarHBondContact O-N 3.43Å
93P96.2Very high97.3Very high118 Ų11859.9 Ų59.977%0.76631%0.307SS*.THydrogen-bonded Turntrans-65.3-11.8173.829.1-36.5000113.4W95P93-W95 VanDerWaalsContact C-N 3.26Å
94D97.1Very high97.3Very high134 Ų13461.4 Ų61.472%0.71731%0.313SS*.THydrogen-bonded Turntrans-75.3-17.7173.2-64.8-31.2000112.3S92S92-D94 PolarHBondContact O-N 2.9Å; S92-D94 VanDerWaalsContact O-N 3.13Å; S92-D94 PolarHBondContact OG-N 3.48Å
95W95.8Very high97.3Very high148 Ų14857.5 Ų57.556%0.56130%0.295SS*.THydrogen-bonded Turntrans-120.8-112.5-176-53.6124.4000110.9E88 F89 S92 P93E88-W95 PolarHBondContact OE1-NE1 3.36Å; F89-W95 HydrophobicContact CD2-CB 4.03Å; F89-W95 HydrophobicContact CD2-CD2 4.46Å; F89-W95 HydrophobicContact CD2-CG 4.14Å; F89-W95 HydrophobicContact CE2-CB 4.44Å; F89-W95 WeakPolarHBondContact O-CB 3.49Å; S92-W95 PolarHBondContact O-N 2.94Å; P93-W95 VanDerWaalsContact C-N 3.26Å
96I96.4Very high97.3Very high55 Ų5553 Ų5328%0.28228%0.278SS..THydrogen-bonded Turntrans-81.5-40.4-179.7-55.9-59.4000111.7F89 F98 M213 I217F89-I96 HydrophobicContact CD1-CG1 4.14Å; F89-I96 HydrophobicContact CE1-CD1 4.11Å; F89-I96 HydrophobicContact CE1-CG1 3.72Å; F89-I96 HydrophobicContact CZ-CD1 3.93Å; F89-I96 HydrophobicContact CZ-CG1 3.93Å; F89-I96 WeakPolarHBondContact O-CB 3.46Å; F89-I96 WeakPolarHBondContact O-CG1 3.3Å; F89-I96 PolarHBondContact O-N 3.27Å; F89-I96 VanDerWaalsContact O-N 3.15Å; I96-F98 HydrophobicContact CG2-CD1 3.59Å; I96-F98 HydrophobicContact CG2-CD2 3.8Å; I96-F98 HydrophobicContact CG2-CE1 3.45Å; I96-F98 VanDerWaalsContact CG2-CE1 3.45Å; I96-F98 HydrophobicContact CG2-CE2 3.68Å; I96-F98 HydrophobicContact CG2-CG 3.76Å; I96-F98 HydrophobicContact CG2-CZ 3.51Å; I96-M213 HydrophobicContact CD1-CE 4.31Å; I96-M213 HydrophobicContact CG1-CE 4.15Å; I96-M213 HydrophobicContact CG2-CE 4.27Å; I96-I217 HydrophobicContact CD1-CD1 4.42Å
97G97.1Very high97.3Very high39 Ų3952.9 Ų52.940%0.40228%0.277SS..  trans71.133.8176.100000114.8L90 S92L90-G97 PolarHBondContact O-N 3.29Å; S92-G97 VanDerWaalsContact O-CA 3.3Å; S92-G97 WeakPolarHBondContact O-CA 3.33Å; S92-G97 PolarHBondContact O-N 3.43Å
98F97.1Very high97.3Very high21 Ų2153.8 Ų53.89%0.09228%0.281CS..  trans-65149.5171.9-72-24000112.3L90 I96 P100 Y152 I180 M213 I216 I217L90-F98 HydrophobicContact CD2-CD2 4.23Å; L90-F98 HydrophobicContact CD2-CE2 4.32Å; L90-F98 WeakPolarHBondContact O-CB 3.39Å; L90-F98 PolarHBondContact O-N 3.05Å; I96-F98 HydrophobicContact CG2-CD1 3.59Å; I96-F98 HydrophobicContact CG2-CD2 3.8Å; I96-F98 HydrophobicContact CG2-CE1 3.45Å; I96-F98 VanDerWaalsContact CG2-CE1 3.45Å; I96-F98 HydrophobicContact CG2-CE2 3.68Å; I96-F98 HydrophobicContact CG2-CG 3.76Å; I96-F98 HydrophobicContact CG2-CZ 3.51Å; F98-P100 VanDerWaalsContact O-CD 3.29Å; F98-P100 WeakPolarHBondContact O-CD 3.27Å; F98-Y152 HydrophobicContact CB-CE2 4.08Å; F98-Y152 AromaticContact CD1-CE2 3.98Å; F98-Y152 HydrophobicContact CD1-CE2 3.98Å; F98-Y152 AromaticContact CD2-CD2 3.86Å; F98-Y152 HydrophobicContact CD2-CD2 3.86Å; F98-Y152 AromaticContact CD2-CE2 3.9Å; F98-Y152 HydrophobicContact CD2-CE2 3.9Å; F98-Y152 HydrophobicContact CE1-CE2 4.36Å; F98-Y152 HydrophobicContact CE2-CD2 4.11Å; F98-Y152 HydrophobicContact CE2-CE2 4.28Å; F98-Y152 HydrophobicContact CG-CD2 4.18Å; F98-Y152 AromaticContact CG-CE2 3.74Å; F98-Y152 HydrophobicContact CG-CE2 3.74Å; F98-I180 HydrophobicContact CE2-CD1 4.43Å; F98-M213 HydrophobicContact CE2-CE 3.77Å; F98-M213 HydrophobicContact CE2-SD 4.13Å; F98-M213 HydrophobicContact CZ-CE 4.06Å; F98-I216 HydrophobicContact CE1-CG2 3.79Å; F98-I216 HydrophobicContact CE2-CG2 4.19Å; F98-I216 HydrophobicContact CZ-CB 4.2Å; F98-I216 HydrophobicContact CZ-CG2 3.48Å; F98-I216 VanDerWaalsContact CZ-CG2 3.48Å; F98-I217 HydrophobicContact CE1-CG1 3.99Å; F98-I217 HydrophobicContact CZ-CG1 3.88Å
99D96.6Very high97.3Very high81 Ų8150.2 Ų50.243%0.43327%0.265SS..  trans-65.9117.9173.4-170.7-9.1000109.9D101 K102D99-D101 PolarHBondContact O-N 3.45Å; D99-D101 PolarHBondContact OD1-N 3.17Å; D99-D101 VanDerWaalsContact OD1-N 3.16Å; D99-K102 HydrophobicContact CB-CD 4.39Å; D99-K102 HydrophobicContact CB-CG 4.24Å; D99-K102 PolarHBondContact O-N 2.87Å
100P96.7Very high97.2Very high55 Ų5553.3 Ų53.336%0.35728%0.281SS..G310 helixtrans-54.5-32177.4-28.737.6000113.9W87 T91 F98 K102 L103W87-P100 HydrophobicContact CH2-CB 4.03Å; W87-P100 HydrophobicContact CZ2-CB 3.78Å; W87-P100 HydrophobicContact CZ2-CG 4.45Å; T91-P100 HydrophobicContact CG2-CB 4.44Å; T91-P100 HydrophobicContact CG2-CG 4.06Å; F98-P100 VanDerWaalsContact O-CD 3.29Å; F98-P100 WeakPolarHBondContact O-CD 3.27Å; P100-K102 PolarHBondContact O-N 2.87Å; P100-K102 VanDerWaalsContact O-N 3.15Å; P100-L103 PolarHBondContact O-N 3.07Å; P100-L103 VanDerWaalsContact O-N 3.11Å
101D96.7Very high97.1Very high110 Ų11053.8 Ų53.859%0.58828%0.283SS*.G310 helixtrans-70.6-7.5-179.1-70.1-16000112.5D99 H128D99-D101 PolarHBondContact O-N 3.45Å; D99-D101 PolarHBondContact OD1-N 3.17Å; D99-D101 VanDerWaalsContact OD1-N 3.16Å; D101-H128 PolarHBondContact O-CE1 3.11Å
102K96.9Very high97.1Very high75 Ų7558.2 Ų58.233%0.32630%0.3SS..G310 helixtrans-101.3-3.6174.5-67.8-170.6168.8-159.10113.6D99 P100 Y152 D153D99-K102 HydrophobicContact CB-CD 4.39Å; D99-K102 HydrophobicContact CB-CG 4.24Å; D99-K102 PolarHBondContact O-N 2.87Å; P100-K102 PolarHBondContact O-N 2.87Å; P100-K102 VanDerWaalsContact O-N 3.15Å; K102-Y152 HydrophobicContact CB-CD2 4.45Å; K102-Y152 HydrophobicContact CB-CE2 4.06Å; K102-Y152 HydrophobicContact CD-CE1 4.06Å; K102-Y152 HydrophobicContact CD-CE2 4.27Å; K102-Y152 VanDerWaalsContact CD-OH 3.23Å; K102-Y152 WeakPolarHBondContact CD-OH 3.25Å; K102-D153 PolarHBondContact O-N 2.92Å
103L98Very high97.1Very high0 Ų061.1 Ų61.10%031%0.312CS..EExtended strand (participates in β ladder)trans-97.3133.6-179-63.2177.2000110.1W87 L90 T91 P100 H128 I150 F151 Y152 I180W87-L103 HydrophobicContact CE3-CD1 4.07Å; W87-L103 HydrophobicContact CH2-CB 4.12Å; W87-L103 HydrophobicContact CH2-CD1 4.11Å; W87-L103 HydrophobicContact CZ3-CB 3.72Å; W87-L103 HydrophobicContact CZ3-CD1 3.6Å; W87-L103 HydrophobicContact CZ3-CG 4.32Å; L90-L103 HydrophobicContact CB-CD1 4.12Å; L90-L103 HydrophobicContact CD1-CD1 4.39Å; T91-L103 HydrophobicContact CG2-CD1 3.46Å; T91-L103 VanDerWaalsContact CG2-CD1 3.46Å; P100-L103 PolarHBondContact O-N 3.07Å; P100-L103 VanDerWaalsContact O-N 3.11Å; L103-H128 PolarHBondContact O-ND1 2.85Å; L103-I150 HydrophobicContact CD2-CG2 4.24Å; L103-F151 WeakPolarHBondContact CA-O 3.34Å; L103-Y152 HydrophobicContact CD2-CD2 3.76Å; L103-I180 HydrophobicContact CD2-CD1 4.23Å
104Y98.3Very high97.2Very high32 Ų3255.5 Ų55.513%0.12528%0.276CS..EExtended strand (participates in β ladder)trans-124.3150.3174.6-69-97.4000108.1H128 I150 F151 D153 P170 Y177Y104-H128 WeakPolarHBondContact CA-O 3.38Å; Y104-H128 HydrophobicContact CD1-CB 3.92Å; Y104-H128 AromaticContact CD1-CG 3.81Å; Y104-H128 AromaticContact CD1-ND1 3.98Å; Y104-H128 HydrophobicContact CE1-CB 4.16Å; Y104-H128 AromaticContact CE1-CD2 3.61Å; Y104-H128 AromaticContact CE1-CE1 3.82Å; Y104-H128 AromaticContact CE1-CG 3.57Å; Y104-H128 AromaticContact CE1-ND1 3.71Å; Y104-H128 AromaticContact CE1-NE2 3.77Å; Y104-H128 AromaticContact CE2-CE1 3.95Å; Y104-H128 AromaticContact CZ-CE1 3.49Å; Y104-H128 VanDerWaalsContact CZ-CE1 3.49Å; Y104-H128 AromaticContact CZ-ND1 3.74Å; Y104-H128 AromaticContact CZ-NE2 3.67Å; Y104-H128 PolarHBondContact OH-CE1 3.43Å; Y104-H128 PolarHBondContact OH-NE2 3.45Å; Y104-I150 WeakPolarHBondContact O-CA 3.35Å; Y104-F151 PolarHBondContact N-O 3.05Å; Y104-F151 PolarHBondContact O-N 2.69Å; Y104-D153 HydrophobicContact CD2-CB 4.21Å; Y104-D153 HydrophobicContact CE2-CB 3.83Å; Y104-P170 VanDerWaalsContact CB-CB 3.47Å; Y104-P170 HydrophobicContact CD1-CB 3.86Å; Y104-P170 HydrophobicContact CD1-CG 3.45Å; Y104-P170 VanDerWaalsContact CD1-CG 3.45Å; Y104-P170 HydrophobicContact CD2-CB 4.48Å; Y104-P170 HydrophobicContact CD2-CG 4.44Å; Y104-P170 HydrophobicContact CE1-CG 4.01Å; Y104-P170 HydrophobicContact CG-CB 3.69Å; Y104-P170 HydrophobicContact CG-CG 3.73Å; Y104-Y177 HydrophobicContact CD2-CD1 4.17Å; Y104-Y177 AromaticContact CD2-CE1 3.97Å; Y104-Y177 HydrophobicContact CD2-CE1 3.97Å; Y104-Y177 HydrophobicContact CE2-CD1 4.47Å; Y104-Y177 AromaticContact CE2-CE1 3.85Å; Y104-Y177 HydrophobicContact CE2-CE1 3.85Å; Y104-Y177 HydrophobicContact CG-CE1 4.49Å
105V98.3Very high97.2Very high0 Ų051.8 Ų51.80%025%0.253CS..EExtended strand (participates in β ladder)trans-129.9143.9179.1-570000110.5W118 I124 H128 V129 V130 E149 I150V105-W118 HydrophobicContact CB-CD2 4.36Å; V105-W118 HydrophobicContact CB-CZ2 4.34Å; V105-W118 HydrophobicContact CG1-CD2 4.09Å; V105-W118 HydrophobicContact CG1-CE3 4.11Å; V105-W118 HydrophobicContact CG1-CH2 3.82Å; V105-W118 HydrophobicContact CG1-CZ2 3.75Å; V105-W118 HydrophobicContact CG1-CZ3 3.99Å; V105-W118 HydrophobicContact CG2-CB 4.45Å; V105-W118 HydrophobicContact CG2-CD2 3.97Å; V105-W118 HydrophobicContact CG2-CE3 4.48Å; V105-W118 HydrophobicContact CG2-CG 3.94Å; V105-I124 HydrophobicContact CG1-CD1 4.1Å; V105-I124 HydrophobicContact CG2-CD1 4.3Å; V105-H128 PolarHBondContact N-O 2.77Å; V105-V129 HydrophobicContact CG2-CB 4.25Å; V105-V129 HydrophobicContact CG2-CG1 4.23Å; V105-V129 HydrophobicContact CG2-CG2 3.79Å; V105-V129 CarbonylContact O-C 3.53Å; V105-V129 WeakPolarHBondContact O-CA 3.48Å; V105-V130 PolarHBondContact O-N 3.32Å; V105-E149 CarbonylContact C-O 3.6Å; V105-E149 VanDerWaalsContact CA-O 3.23Å; V105-E149 WeakPolarHBondContact CA-O 3.46Å; V105-I150 HydrophobicContact CG1-CG1 4.21Å; V105-I150 HydrophobicContact CG1-CG2 4.42Å
106T98.2Very high97.4Very high0 Ų049 Ų490%024%0.242CC..EExtended strand (participates in β ladder)trans-108.8150171.568.20000109.5V130 I132 N135 S148 E149 F151T106-V130 CarbonylContact C-O 3.58Å; T106-V130 WeakPolarHBondContact CA-O 3.28Å; T106-V130 HydrophobicContact CG2-CB 4.31Å; T106-I132 HydrophobicContact CG2-CD1 3.4Å; T106-I132 HydrophobicContact CG2-CG1 4.25Å; T106-N135 WeakPolarHBondContact CB-OD1 3.31Å; T106-N135 PolarHBondContact OG1-ND2 3.41Å; T106-N135 PolarHBondContact OG1-OD1 3.24Å; T106-S148 WeakPolarHBondContact O-CA 3.43Å; T106-S148 WeakPolarHBondContact O-CB 3.39Å; T106-S148 PolarHBondContact O-OG 2.91Å; T106-E149 PolarHBondContact N-O 3.32Å; T106-E149 PolarHBondContact O-N 2.95Å; T106-E149 WeakPolarHBondContact OG1-CB 3.35Å; T106-E149 PolarHBondContact OG1-N 3.12Å; T106-F151 HydrophobicContact CG2-CD2 3.91Å; T106-F151 HydrophobicContact CG2-CE2 3.47Å; T106-F151 VanDerWaalsContact CG2-CE2 3.47Å; T106-F151 HydrophobicContact CG2-CZ 4.34Å
107V98.1Very high97.5Very high1 Ų146.3 Ų46.31%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-142.4147.2179.5-65.40000110.5A114 K115 V129 V130 E131 I132V107-A114 HydrophobicContact CG1-CB 4.47Å; V107-K115 HydrophobicContact CG2-CB 4.2Å; V107-K115 HydrophobicContact CG2-CG 4.39Å; V107-V129 HydrophobicContact CG1-CG1 4.42Å; V107-V129 HydrophobicContact CG2-CG1 3.91Å; V107-V130 PolarHBondContact N-O 3.38Å; V107-E131 HydrophobicContact CG2-CG 3.98Å; V107-E131 WeakPolarHBondContact O-CA 3.44Å; V107-I132 PolarHBondContact O-N 3.08Å
108Y97.6Very high97.5Very high56 Ų5644.5 Ų44.522%0.2221%0.21CC..  trans-60.7130.5169.4-168-129.4000110.9E110 D111 E133 N135 F136 P146Y108-E110 HydrophobicContact CD1-CB 3.93Å; Y108-E110 HydrophobicContact CE1-CB 3.63Å; Y108-E110 HydrophobicContact CE1-CG 4.18Å; Y108-E110 PolarHBondContact O-N 2.9Å; Y108-E110 VanDerWaalsContact O-N 3.13Å; Y108-D111 PolarHBondContact O-N 2.98Å; Y108-E133 WeakPolarHBondContact CD2-O 3.39Å; Y108-E133 VanDerWaalsContact CE2-O 3.27Å; Y108-E133 WeakPolarHBondContact CE2-O 3.36Å; Y108-N135 VanDerWaalsContact CB-O 3.25Å; Y108-N135 WeakPolarHBondContact CB-O 3.47Å; Y108-F136 HydrophobicContact CD1-CD2 4.37Å; Y108-F136 HydrophobicContact CD2-CB 4.28Å; Y108-F136 HydrophobicContact CE1-CD2 4.12Å; Y108-F136 HydrophobicContact CE2-CB 4.28Å; Y108-P146 HydrophobicContact CD1-CB 4.08Å; Y108-P146 HydrophobicContact CG-CB 4.24Å
109P97Very high97.5Very high15 Ų1546.4 Ų46.410%0.09722%0.22CC..THydrogen-bonded Turntrans-52.5-38-178.8-29.732000113.8K112 E131 I132 E133P109-K112 WeakPolarHBondContact O-CE 3.35Å; P109-K112 PolarHBondContact O-NZ 3.29Å; P109-E131 HydrophobicContact CG-CB 4.14Å; P109-I132 VanDerWaalsContact CD-C 3.48Å; P109-I132 WeakPolarHBondContact CD-O 3.22Å; P109-E133 HydrophobicContact CG-CG 4.3Å
110E96Very high97.6Very high134 Ų13449.1 Ų49.163%0.62623%0.23SC*.THydrogen-bonded Turntrans-84.7-10.6-179.8-62.1-59.9135.300113.7Y108 K112Y108-E110 HydrophobicContact CD1-CB 3.93Å; Y108-E110 HydrophobicContact CE1-CB 3.63Å; Y108-E110 HydrophobicContact CE1-CG 4.18Å; Y108-E110 PolarHBondContact O-N 2.9Å; Y108-E110 VanDerWaalsContact O-N 3.13Å; E110-K112 VanDerWaalsContact C-N 3.3Å; E110-K112 PolarHBondContact O-N 3.27Å
111D96.9Very high97.6Very high10 Ų1050 Ų505%0.05323%0.23CC..  trans-81.475.5173.8-167.1-7.6000111.7K79 Y108 E113 A114 K115 P146K79-D111 WeakPolarHBondContact CE-OD2 3.5Å; K79-D111 IonicContact NZ-OD1 3.71Å; K79-D111 PolarHBondContact NZ-OD1 2.93Å; K79-D111 IonicContact NZ-OD2 3.71Å; K79-D111 PolarHBondContact NZ-OD2 2.91Å; Y108-D111 PolarHBondContact O-N 2.98Å; D111-E113 PolarHBondContact O-N 3.44Å; D111-E113 PolarHBondContact OD1-N 3.3Å; D111-A114 HydrophobicContact CB-CB 4.43Å; D111-A114 PolarHBondContact OD1-N 2.79Å; D111-A114 WeakPolarHBondContact OD2-CB 3.38Å; D111-K115 PolarHBondContact O-N 2.84Å; D111-P146 HydrophobicContact CB-CB 4Å; D111-P146 HydrophobicContact CB-CG 4.32Å
112K97.3Very high97.6Very high117 Ų11746.1 Ų46.151%0.50921%0.21SC..Hα-helixtrans-65.7-20177.8-54.7-51-178.8-168.20113P109 E110 R116 E131P109-K112 WeakPolarHBondContact O-CE 3.35Å; P109-K112 PolarHBondContact O-NZ 3.29Å; E110-K112 VanDerWaalsContact C-N 3.3Å; E110-K112 PolarHBondContact O-N 3.27Å; K112-R116 VanDerWaalsContact O-CB 3.28Å; K112-R116 WeakPolarHBondContact O-CB 3.17Å; K112-R116 PolarHBondContact O-N 2.99Å; K112-R116 VanDerWaalsContact O-N 3.15Å; K112-E131 IonicContact NZ-OE1 3.55Å
113E97.6Very high97.6Very high82 Ų8245 Ų4538%0.38322%0.219SC..Hα-helixtrans-75.6-53.6-179.4-178175.4-162.900111K79 D111 K115 R116 I117K79-E113 HydrophobicContact CD-CB 4.21Å; K79-E113 HydrophobicContact CD-CG 3.97Å; K79-E113 IonicContact NZ-OE2 2.83Å; D111-E113 PolarHBondContact O-N 3.44Å; D111-E113 PolarHBondContact OD1-N 3.3Å; E113-K115 VanDerWaalsContact C-N 3.3Å; E113-K115 PolarHBondContact O-N 2.86Å; E113-R116 WeakPolarHBondContact O-CB 3.46Å; E113-R116 PolarHBondContact O-N 3.36Å; E113-R116 VanDerWaalsContact O-N 3.1Å; E113-I117 HydrophobicContact CG-CD1 3.92Å; E113-I117 WeakPolarHBondContact O-CG1 3.23Å; E113-I117 PolarHBondContact O-N 3.17Å
114A97.7Very high97.5Very high1 Ų145.2 Ų45.21%0.00822%0.221CC..Hα-helixtrans-57.7-45176.800000111.2I83 V107 D111 R116 I117 W118 F185I83-A114 HydrophobicContact CD1-CB 4.11Å; V107-A114 HydrophobicContact CG1-CB 4.47Å; D111-A114 HydrophobicContact CB-CB 4.43Å; D111-A114 PolarHBondContact OD1-N 2.79Å; D111-A114 WeakPolarHBondContact OD2-CB 3.38Å; A114-R116 VanDerWaalsContact C-N 3.32Å; A114-R116 PolarHBondContact O-N 3.44Å; A114-I117 PolarHBondContact O-N 3Å; A114-W118 VanDerWaalsContact O-CD1 3.25Å; A114-W118 PolarHBondContact O-N 3.4Å; A114-F185 HydrophobicContact CB-CD2 4.42Å; A114-F185 HydrophobicContact CB-CE2 3.67Å; A114-F185 HydrophobicContact CB-CZ 4.26Å
115K97.9Very high97.4Very high56 Ų5646.3 Ų46.324%0.24323%0.231CC..Hα-helixtrans-56.7-43.4175.4-173.2174.9-171175.70112.6V107 D111 E113 L119 V129 E131V107-K115 HydrophobicContact CG2-CB 4.2Å; V107-K115 HydrophobicContact CG2-CG 4.39Å; D111-K115 PolarHBondContact O-N 2.84Å; E113-K115 VanDerWaalsContact C-N 3.3Å; E113-K115 PolarHBondContact O-N 2.86Å; K115-L119 HydrophobicContact CG-CD1 3.94Å; K115-L119 VanDerWaalsContact O-CG 3.29Å; K115-L119 WeakPolarHBondContact O-CG 3.33Å; K115-L119 PolarHBondContact O-N 2.86Å; K115-V129 HydrophobicContact CG-CG1 4.4Å; K115-E131 WeakPolarHBondContact CD-OE1 3.38Å; K115-E131 IonicContact NZ-OE1 3.4Å; K115-E131 PolarHBondContact NZ-OE1 3.3Å; K115-E131 IonicContact NZ-OE2 2.7Å; K115-E131 PolarHBondContact NZ-OE2 3.08Å
116R98.3Very high97.2Very high88 Ų8849.8 Ų49.833%0.33226%0.261SS..Hα-helixtrans-65.5-43.4178.6-172.9-165.964.171.66.1111.3K112 E113 A114 L119 E120 E121K112-R116 VanDerWaalsContact O-CB 3.28Å; K112-R116 WeakPolarHBondContact O-CB 3.17Å; K112-R116 PolarHBondContact O-N 2.99Å; K112-R116 VanDerWaalsContact O-N 3.15Å; E113-R116 WeakPolarHBondContact O-CB 3.46Å; E113-R116 PolarHBondContact O-N 3.36Å; E113-R116 VanDerWaalsContact O-N 3.1Å; A114-R116 VanDerWaalsContact C-N 3.32Å; A114-R116 PolarHBondContact O-N 3.44Å; R116-L119 PolarHBondContact O-N 3.24Å; R116-E120 WeakPolarHBondContact CD-OE2 3.48Å; R116-E120 HydrophobicContact CG-CB 4.49Å; R116-E120 HydrophobicContact CG-CG 4.04Å; R116-E120 WeakPolarHBondContact CG-OE2 3.46Å; R116-E120 IonicContact NH1-OE2 3.42Å; R116-E120 PolarHBondContact NH1-OE2 3.27Å; R116-E120 VanDerWaalsContact O-CB 3.29Å; R116-E120 WeakPolarHBondContact O-CB 3.48Å; R116-E120 PolarHBondContact O-N 2.93Å; R116-E121 IonicContact CZ-OE1 3.14Å; R116-E121 IonicContact NH1-OE1 2.72Å; R116-E121 PolarHBondContact NH1-OE1 2.88Å; R116-E121 IonicContact NH2-OE1 2.71Å; R116-E121 PolarHBondContact NH2-OE1 3.28Å
117I98.4Very high97.1Very high0 Ų055.9 Ų55.90%029%0.293CS..Iπ-helixtrans-61.2-47.8-179.9-64.7160.5000110.2K79 V80 I83 E113 A114 L119 E121 V122K79-I117 HydrophobicContact CB-CD1 3.68Å; V80-I117 HydrophobicContact CB-CD1 4.43Å; V80-I117 HydrophobicContact CG2-CD1 3.68Å; V80-I117 HydrophobicContact CG2-CG1 4.11Å; I83-I117 HydrophobicContact CB-CG2 3.93Å; I83-I117 HydrophobicContact CD1-CB 4.01Å; I83-I117 HydrophobicContact CD1-CD1 4.12Å; I83-I117 HydrophobicContact CD1-CG2 3.92Å; I83-I117 HydrophobicContact CG2-CG2 3.69Å; E113-I117 HydrophobicContact CG-CD1 3.92Å; E113-I117 WeakPolarHBondContact O-CG1 3.23Å; E113-I117 PolarHBondContact O-N 3.17Å; A114-I117 PolarHBondContact O-N 3Å; I117-L119 PolarHBondContact O-N 3.29Å; I117-E121 HydrophobicContact CG2-CB 4.27Å; I117-E121 WeakPolarHBondContact O-CA 3.38Å; I117-E121 WeakPolarHBondContact O-CB 3.25Å; I117-E121 PolarHBondContact O-N 3.49Å; I117-V122 PolarHBondContact O-N 2.92Å
118W98.4Very high97.1Very high0 Ų056.6 Ų56.60%030%0.296CS..Iπ-helixtrans-56.5-47176.3-78.7123.5000112.7I83 W87 V105 A114 V122 G123 I124 V129 S148 I150 L183I83-W118 HydrophobicContact CB-CZ2 4.43Å; I83-W118 HydrophobicContact CG1-CZ2 4.23Å; I83-W118 HydrophobicContact CG2-CD2 3.65Å; I83-W118 HydrophobicContact CG2-CE3 3.74Å; I83-W118 HydrophobicContact CG2-CG 4.34Å; I83-W118 HydrophobicContact CG2-CH2 3.79Å; I83-W118 HydrophobicContact CG2-CZ2 3.72Å; I83-W118 HydrophobicContact CG2-CZ3 3.8Å; W87-W118 HydrophobicContact CB-CZ3 4.19Å; W87-W118 HydrophobicContact CD2-CZ3 4.23Å; W87-W118 HydrophobicContact CE3-CH2 4.35Å; W87-W118 AromaticContact CE3-CZ3 3.68Å; W87-W118 HydrophobicContact CE3-CZ3 3.68Å; W87-W118 HydrophobicContact CG-CZ3 4.49Å; W87-W118 HydrophobicContact CZ3-CZ3 4.37Å; V105-W118 HydrophobicContact CB-CD2 4.36Å; V105-W118 HydrophobicContact CB-CZ2 4.34Å; V105-W118 HydrophobicContact CG1-CD2 4.09Å; V105-W118 HydrophobicContact CG1-CE3 4.11Å; V105-W118 HydrophobicContact CG1-CH2 3.82Å; V105-W118 HydrophobicContact CG1-CZ2 3.75Å; V105-W118 HydrophobicContact CG1-CZ3 3.99Å; V105-W118 HydrophobicContact CG2-CB 4.45Å; V105-W118 HydrophobicContact CG2-CD2 3.97Å; V105-W118 HydrophobicContact CG2-CE3 4.48Å; V105-W118 HydrophobicContact CG2-CG 3.94Å; A114-W118 VanDerWaalsContact O-CD1 3.25Å; A114-W118 PolarHBondContact O-N 3.4Å; W118-V122 HydrophobicContact CE3-CB 4.01Å; W118-V122 HydrophobicContact CE3-CG1 3.92Å; W118-V122 HydrophobicContact CE3-CG2 3.91Å; W118-V122 HydrophobicContact CZ3-CB 4.44Å; W118-V122 HydrophobicContact CZ3-CG1 4.03Å; W118-V122 HydrophobicContact CZ3-CG2 4.12Å; W118-V122 WeakPolarHBondContact O-CB 3.49Å; W118-G123 PolarHBondContact O-N 2.94Å; W118-I124 HydrophobicContact CB-CG2 4.06Å; W118-I124 WeakPolarHBondContact O-CG2 3.34Å; W118-I124 PolarHBondContact O-N 3.09Å; W118-I124 VanDerWaalsContact O-N 3.11Å; W118-V129 HydrophobicContact CB-CG2 4.46Å; W118-S148 PolarHBondContact NE1-OG 3.19Å; W118-I150 HydrophobicContact CH2-CD1 3.89Å; W118-I150 HydrophobicContact CH2-CG1 4.24Å; W118-I150 HydrophobicContact CZ2-CD1 4.2Å; W118-I150 HydrophobicContact CZ2-CG1 4.21Å; W118-L183 HydrophobicContact CZ2-CD1 4.09Å
119L97.8Very high97.1Very high61 Ų6154.8 Ų54.832%0.31929%0.291SS..Iπ-helixtrans-77.5-38.7-175.4-67.4172.1000114.1K115 R116 I117 A126 V129K115-L119 HydrophobicContact CG-CD1 3.94Å; K115-L119 VanDerWaalsContact O-CG 3.29Å; K115-L119 WeakPolarHBondContact O-CG 3.33Å; K115-L119 PolarHBondContact O-N 2.86Å; R116-L119 PolarHBondContact O-N 3.24Å; I117-L119 PolarHBondContact O-N 3.29Å; L119-A126 HydrophobicContact CD2-CB 3.93Å; L119-V129 HydrophobicContact CD2-CG2 3.76Å; L119-V129 HydrophobicContact CG-CG2 4.33Å
120E97.7Very high97.1Very high138 Ų13855.8 Ų55.865%0.64530%0.297SS*.Iπ-helixtrans-102.7-34.5-168.8-61.6-177.6176.400113.7R116R116-E120 WeakPolarHBondContact CD-OE2 3.48Å; R116-E120 HydrophobicContact CG-CB 4.49Å; R116-E120 HydrophobicContact CG-CG 4.04Å; R116-E120 WeakPolarHBondContact CG-OE2 3.46Å; R116-E120 IonicContact NH1-OE2 3.42Å; R116-E120 PolarHBondContact NH1-OE2 3.27Å; R116-E120 VanDerWaalsContact O-CB 3.29Å; R116-E120 WeakPolarHBondContact O-CB 3.48Å; R116-E120 PolarHBondContact O-N 2.93Å
121E97.2Very high97.2Very high75 Ų7553.4 Ų53.435%0.3529%0.286SS..Iπ-helixtrans-100.5-48.8-173.5-62-178.6-144.600111.2V80 R116 I117V80-E121 WeakPolarHBondContact CG1-OE2 3.46Å; R116-E121 IonicContact CZ-OE1 3.14Å; R116-E121 IonicContact NH1-OE1 2.72Å; R116-E121 PolarHBondContact NH1-OE1 2.88Å; R116-E121 IonicContact NH2-OE1 2.71Å; R116-E121 PolarHBondContact NH2-OE1 3.28Å; I117-E121 HydrophobicContact CG2-CB 4.27Å; I117-E121 WeakPolarHBondContact O-CA 3.38Å; I117-E121 WeakPolarHBondContact O-CB 3.25Å; I117-E121 PolarHBondContact O-N 3.49Å
122V97Very high97.1Very high28 Ų2854 Ų5417%0.1729%0.288CS..Iπ-helixtrans-73.1-41.9170.5174.10000110.9I83 W87 I117 W118I83-V122 HydrophobicContact CG2-CG2 3.64Å; W87-V122 HydrophobicContact CB-CG1 4.18Å; W87-V122 HydrophobicContact CB-CG2 4.36Å; W87-V122 HydrophobicContact CD2-CG1 3.51Å; W87-V122 HydrophobicContact CE3-CG1 4.17Å; W87-V122 HydrophobicContact CG-CG1 3.49Å; W87-V122 VanDerWaalsContact CG-CG1 3.49Å; W87-V122 HydrophobicContact CG-CG2 4.48Å; W87-V122 HydrophobicContact CZ2-CG1 4.17Å; I117-V122 PolarHBondContact O-N 2.92Å; W118-V122 HydrophobicContact CE3-CB 4.01Å; W118-V122 HydrophobicContact CE3-CG1 3.92Å; W118-V122 HydrophobicContact CE3-CG2 3.91Å; W118-V122 HydrophobicContact CZ3-CB 4.44Å; W118-V122 HydrophobicContact CZ3-CG1 4.03Å; W118-V122 HydrophobicContact CZ3-CG2 4.12Å; W118-V122 WeakPolarHBondContact O-CB 3.49Å
123G95.7Very high96.9Very high50 Ų5054.4 Ų54.452%0.51529%0.292SS..  trans81.429.4178.300000114.3W118W118-G123 PolarHBondContact O-N 2.94Å
124I96Very high96.7Very high6 Ų657.5 Ų57.53%0.03131%0.311CS..  trans-66.8144.9174.3-160174.9000110.3W87 V105 W118 H128 V129W87-I124 HydrophobicContact CH2-CD1 3.88Å; W87-I124 HydrophobicContact CH2-CG1 4.01Å; W87-I124 HydrophobicContact CZ3-CD1 3.82Å; W87-I124 HydrophobicContact CZ3-CG1 4.42Å; V105-I124 HydrophobicContact CG1-CD1 4.1Å; V105-I124 HydrophobicContact CG2-CD1 4.3Å; W118-I124 HydrophobicContact CB-CG2 4.06Å; W118-I124 WeakPolarHBondContact O-CG2 3.34Å; W118-I124 PolarHBondContact O-N 3.09Å; W118-I124 VanDerWaalsContact O-N 3.11Å; I124-H128 HydrophobicContact CD1-CB 3.86Å; I124-H128 HydrophobicContact CG1-CB 3.86Å; I124-V129 HydrophobicContact CG2-CG2 3.53Å
125P95.8Very high96.7Very high54 Ų5457.5 Ų57.535%0.35131%0.311SS..  trans-55142.7175.4-27.736.1000113D127 H128P125-D127 WeakPolarHBondContact CB-OD1 3.42Å; P125-D127 PolarHBondContact O-N 3.41Å; P125-H128 HydrophobicContact CB-CB 4.45Å; P125-H128 WeakPolarHBondContact O-CB 3.49Å; P125-H128 PolarHBondContact O-N 2.87Å
126A95.6Very high96.5Very high74 Ų7457.3 Ų57.361%0.61231%0.31SS*.G310 helixtrans-65.8-25.7-175.300000113.9L119 V129L119-A126 HydrophobicContact CD2-CB 3.93Å; A126-V129 PolarHBondContact O-N 3.02Å
127D95.8Very high96.2Very high128 Ų12855.8 Ų55.868%0.68431%0.305SS*.G310 helixtrans-78.6-5.1173.456.1-29.1000113.5P125P125-D127 WeakPolarHBondContact CB-OD1 3.42Å; P125-D127 PolarHBondContact O-N 3.41Å
128H97.3Very high95.7Very high16 Ų1658 Ų587%0.07432%0.317CS..G310 helixtrans-96.80.1171.5-73-136.3000112.8D101 L103 Y104 V105 I124 P125D101-H128 PolarHBondContact O-CE1 3.11Å; L103-H128 PolarHBondContact O-ND1 2.85Å; Y104-H128 WeakPolarHBondContact CA-O 3.38Å; Y104-H128 HydrophobicContact CD1-CB 3.92Å; Y104-H128 AromaticContact CD1-CG 3.81Å; Y104-H128 AromaticContact CD1-ND1 3.98Å; Y104-H128 HydrophobicContact CE1-CB 4.16Å; Y104-H128 AromaticContact CE1-CD2 3.61Å; Y104-H128 AromaticContact CE1-CE1 3.82Å; Y104-H128 AromaticContact CE1-CG 3.57Å; Y104-H128 AromaticContact CE1-ND1 3.71Å; Y104-H128 AromaticContact CE1-NE2 3.77Å; Y104-H128 AromaticContact CE2-CE1 3.95Å; Y104-H128 AromaticContact CZ-CE1 3.49Å; Y104-H128 VanDerWaalsContact CZ-CE1 3.49Å; Y104-H128 AromaticContact CZ-ND1 3.74Å; Y104-H128 AromaticContact CZ-NE2 3.67Å; Y104-H128 PolarHBondContact OH-CE1 3.43Å; Y104-H128 PolarHBondContact OH-NE2 3.45Å; V105-H128 PolarHBondContact N-O 2.77Å; I124-H128 HydrophobicContact CD1-CB 3.86Å; I124-H128 HydrophobicContact CG1-CB 3.86Å; P125-H128 HydrophobicContact CB-CB 4.45Å; P125-H128 WeakPolarHBondContact O-CB 3.49Å; P125-H128 PolarHBondContact O-N 2.87Å
129V97.7Very high94.5Very high18 Ų1863.5 Ų63.511%0.10935%0.345CS..EExtended strand (participates in β ladder)trans-109.1115.4176.9-175.10000109.4V105 V107 K115 W118 L119 I124 A126V105-V129 HydrophobicContact CG2-CB 4.25Å; V105-V129 HydrophobicContact CG2-CG1 4.23Å; V105-V129 HydrophobicContact CG2-CG2 3.79Å; V105-V129 CarbonylContact O-C 3.53Å; V105-V129 WeakPolarHBondContact O-CA 3.48Å; V107-V129 HydrophobicContact CG1-CG1 4.42Å; V107-V129 HydrophobicContact CG2-CG1 3.91Å; K115-V129 HydrophobicContact CG-CG1 4.4Å; W118-V129 HydrophobicContact CB-CG2 4.46Å; L119-V129 HydrophobicContact CD2-CG2 3.76Å; L119-V129 HydrophobicContact CG-CG2 4.33Å; I124-V129 HydrophobicContact CG2-CG2 3.53Å; A126-V129 PolarHBondContact O-N 3.02Å
130V97.4Very high93.4Very high35 Ų3562 Ų6221%0.21235%0.345CS..EExtended strand (participates in β ladder)trans-108.6132.6179.8-173.60000109.7V105 T106 V107 I132 Y169 P170V105-V130 PolarHBondContact O-N 3.32Å; T106-V130 CarbonylContact C-O 3.58Å; T106-V130 WeakPolarHBondContact CA-O 3.28Å; T106-V130 HydrophobicContact CG2-CB 4.31Å; V107-V130 PolarHBondContact N-O 3.38Å; V130-I132 HydrophobicContact CG1-CD1 4.31Å; V130-I132 HydrophobicContact CG1-CG1 3.91Å; V130-Y169 HydrophobicContact CG1-CD2 4.2Å; V130-Y169 HydrophobicContact CG1-CE2 4.22Å; V130-P170 HydrophobicContact CG2-CB 4.47Å; V130-P170 HydrophobicContact CG2-CG 4.48Å
131E97.3Very high92.1Very high85 Ų8559 Ų5940%0.39734%0.343SS..EExtended strand (participates in β ladder)trans-91.8122.6174.4-70.8179.1140.300109.6V107 P109 K112 K115V107-E131 HydrophobicContact CG2-CG 3.98Å; V107-E131 WeakPolarHBondContact O-CA 3.44Å; P109-E131 HydrophobicContact CG-CB 4.14Å; K112-E131 IonicContact NZ-OE1 3.55Å; K115-E131 WeakPolarHBondContact CD-OE1 3.38Å; K115-E131 IonicContact NZ-OE1 3.4Å; K115-E131 PolarHBondContact NZ-OE1 3.3Å; K115-E131 IonicContact NZ-OE2 2.7Å; K115-E131 PolarHBondContact NZ-OE2 3.08Å
132I95.5Very high91.2Very high21 Ų2156.1 Ų56.111%0.10833%0.334CS..  trans-131.7126.3-178-51.2-179.8000109.9T106 V107 P109 V130 D134 N135 Y169T106-I132 HydrophobicContact CG2-CD1 3.4Å; T106-I132 HydrophobicContact CG2-CG1 4.25Å; V107-I132 PolarHBondContact O-N 3.08Å; P109-I132 VanDerWaalsContact CD-C 3.48Å; P109-I132 WeakPolarHBondContact CD-O 3.22Å; V130-I132 HydrophobicContact CG1-CD1 4.31Å; V130-I132 HydrophobicContact CG1-CG1 3.91Å; I132-D134 HydrophobicContact CG2-CB 4.18Å; I132-D134 PolarHBondContact O-N 3.38Å; I132-N135 WeakPolarHBondContact CB-OD1 3.46Å; I132-N135 WeakPolarHBondContact O-CB 3.41Å; I132-N135 PolarHBondContact O-N 3.31Å; I132-N135 VanDerWaalsContact O-N 3.16Å; I132-Y169 HydrophobicContact CD1-CE2 3.77Å; I132-Y169 HydrophobicContact CG1-CE2 4.41Å
133E93.7Very high90.6Very high127 Ų12756.1 Ų56.159%0.59334%0.335SS*.THydrogen-bonded Turntrans-60.9-30.8-179.2-67-70.7162.800112.8Y108 P109 N135Y108-E133 WeakPolarHBondContact CD2-O 3.39Å; Y108-E133 VanDerWaalsContact CE2-O 3.27Å; Y108-E133 WeakPolarHBondContact CE2-O 3.36Å; P109-E133 HydrophobicContact CG-CG 4.3Å; E133-N135 PolarHBondContact O-N 3.22Å
134D93Very high90.3Very high146 Ų14653.8 Ų53.878%0.78131%0.31SS*.THydrogen-bonded Turntrans-76.8-4.1-179.6-65.1-20.3000113.7I132 F136I132-D134 HydrophobicContact CG2-CB 4.18Å; I132-D134 PolarHBondContact O-N 3.38Å; D134-F136 PolarHBondContact O-N 3.45Å
135N96.8Very high90.2Very high2 Ų253.5 Ų53.51%0.01131%0.309CS..  trans-73.553172.1-85.3116.1000112.6T106 Y108 I132 E133 D147 E149T106-N135 WeakPolarHBondContact CB-OD1 3.31Å; T106-N135 PolarHBondContact OG1-ND2 3.41Å; T106-N135 PolarHBondContact OG1-OD1 3.24Å; Y108-N135 VanDerWaalsContact CB-O 3.25Å; Y108-N135 WeakPolarHBondContact CB-O 3.47Å; I132-N135 WeakPolarHBondContact CB-OD1 3.46Å; I132-N135 WeakPolarHBondContact O-CB 3.41Å; I132-N135 PolarHBondContact O-N 3.31Å; I132-N135 VanDerWaalsContact O-N 3.16Å; E133-N135 PolarHBondContact O-N 3.22Å; N135-D147 WeakPolarHBondContact CA-OD1 3.16Å; N135-D147 WeakPolarHBondContact CB-OD1 3.44Å; N135-D147 PolarHBondContact ND2-OD1 3.08Å; N135-D147 PolarHBondContact O-N 3.02Å; N135-D147 VanDerWaalsContact O-OD1 3.11Å; N135-E149 PolarHBondContact ND2-OE2 3.03Å
136F95.2Very high90.3Very high51 Ų5151.1 Ų51.122%0.22429%0.293CS..EExtended strand (participates in β ladder)trans-136.2107.1174.6-167.4-81.7000108.7Y108 D134 D138 G145 P146 F188 Y196Y108-F136 HydrophobicContact CD1-CD2 4.37Å; Y108-F136 HydrophobicContact CD2-CB 4.28Å; Y108-F136 HydrophobicContact CE1-CD2 4.12Å; Y108-F136 HydrophobicContact CE2-CB 4.28Å; D134-F136 PolarHBondContact O-N 3.45Å; F136-D138 HydrophobicContact CD1-CB 4.25Å; F136-D138 HydrophobicContact CE1-CB 4.32Å; F136-D138 PolarHBondContact O-N 3.09Å; F136-G145 CarbonylContact C-O 3.53Å; F136-P146 HydrophobicContact CD2-CB 4.48Å; F136-F188 HydrophobicContact CE2-CD2 4.18Å; F136-F188 HydrophobicContact CE2-CE2 4.28Å; F136-F188 AromaticContact CZ-CD2 4Å; F136-F188 HydrophobicContact CZ-CD2 4Å; F136-Y196 HydrophobicContact CE1-CD1 4.18Å; F136-Y196 AromaticContact CE1-CE1 3.67Å; F136-Y196 HydrophobicContact CE1-CE1 3.67Å; F136-Y196 HydrophobicContact CZ-CD1 4.11Å; F136-Y196 HydrophobicContact CZ-CE1 4.06Å
137W91.9Very high90.4Very high57 Ų5747.8 Ų47.822%0.21627%0.265CS..EExtended strand (participates in β ladder)trans-79.8118.9-175.7-165.394.8000111.4V23 L139 P143 S144 G145 D147 V184V23-W137 HydrophobicContact CG1-CH2 3.62Å; V23-W137 HydrophobicContact CG1-CZ2 3.72Å; W137-L139 HydrophobicContact CH2-CB 4.27Å; W137-L139 HydrophobicContact CH2-CD1 3.33Å; W137-L139 HydrophobicContact CH2-CG 3.6Å; W137-L139 HydrophobicContact CZ2-CD1 3.34Å; W137-L139 HydrophobicContact CZ2-CG 3.58Å; W137-L139 HydrophobicContact CZ3-CD1 4.34Å; W137-L139 HydrophobicContact CZ3-CG 4.2Å; W137-P143 WeakPolarHBondContact CZ3-O 3.36Å; W137-S144 WeakPolarHBondContact O-CA 3.49Å; W137-S144 WeakPolarHBondContact O-CB 3.37Å; W137-G145 PolarHBondContact N-O 3.2Å; W137-G145 PolarHBondContact O-N 3.39Å; W137-G145 VanDerWaalsContact O-N 3.09Å; W137-D147 HydrophobicContact CB-CB 4.38Å; W137-V184 HydrophobicContact CB-CB 4.41Å; W137-V184 HydrophobicContact CB-CG1 3.6Å; W137-V184 HydrophobicContact CB-CG2 3.91Å; W137-V184 HydrophobicContact CD2-CG1 4.13Å; W137-V184 HydrophobicContact CD2-CG2 4.34Å; W137-V184 HydrophobicContact CE3-CG1 4.28Å; W137-V184 HydrophobicContact CG-CB 4.47Å; W137-V184 HydrophobicContact CG-CG1 3.87Å; W137-V184 HydrophobicContact CG-CG2 3.72Å
138D87.1Confident90.5Very high47 Ų4741.7 Ų41.725%0.25123%0.233SC..  trans-151.3120.9-179.5-171.5-5.7000111.4F136 G140 H190 Y196F136-D138 HydrophobicContact CD1-CB 4.25Å; F136-D138 HydrophobicContact CE1-CB 4.32Å; F136-D138 PolarHBondContact O-N 3.09Å; D138-G140 WeakPolarHBondContact OD1-CA 3.41Å; D138-G140 PolarHBondContact OD1-N 3.08Å; D138-H190 IonicContact OD1-CE1 3.89Å; D138-H190 IonicContact OD1-CG 3.79Å; D138-H190 IonicContact OD1-ND1 3.46Å; D138-H190 PolarHBondContact OD1-ND1 3.31Å; D138-H190 IonicContact OD2-CE1 3.8Å; D138-H190 PolarHBondContact OD2-CE1 3.26Å; D138-H190 IonicContact OD2-CG 2.87Å; D138-H190 IonicContact OD2-ND1 3.25Å; D138-H190 PolarHBondContact OD2-ND1 3.39Å; D138-Y196 VanDerWaalsContact OD2-CE1 3.26Å; D138-Y196 WeakPolarHBondContact OD2-CE1 3.33Å; D138-Y196 VanDerWaalsContact OD2-CZ 3.29Å; D138-Y196 PolarHBondContact OD2-OH 3.46Å
139L73.7Confident90.6Very high115 Ų11542.8 Ų42.860%0.60224%0.238SC*.  trans-103.413.3175.6-72.4-178000113W137W137-L139 HydrophobicContact CH2-CB 4.27Å; W137-L139 HydrophobicContact CH2-CD1 3.33Å; W137-L139 HydrophobicContact CH2-CG 3.6Å; W137-L139 HydrophobicContact CZ2-CD1 3.34Å; W137-L139 HydrophobicContact CZ2-CG 3.58Å; W137-L139 HydrophobicContact CZ3-CD1 4.34Å; W137-L139 HydrophobicContact CZ3-CG 4.2Å
140G74.5Confident90.6Very high29 Ų2941.9 Ų41.930%0.29923%0.233SC..SBendtrans95.3-155.2-167.700000111.5D138 G142 H190D138-G140 WeakPolarHBondContact OD1-CA 3.41Å; D138-G140 PolarHBondContact OD1-N 3.08Å; G140-G142 PolarHBondContact O-N 2.87Å; G140-G142 VanDerWaalsContact O-N 3.1Å; G140-H190 WeakPolarHBondContact O-CB 3.4Å; G140-H190 PolarHBondContact O-ND1 2.96Å
141A70.5Confident90.6Very high74 Ų7440.8 Ų40.861%0.61223%0.225SC*.SBendtrans-55.1119-171.900000113.1H190 P192A141-H190 CarbonylContact C-O 3.52Å; A141-H190 WeakPolarHBondContact CA-O 3.49Å; A141-P192 HydrophobicContact CB-CG 4.26Å
142G78.5Confident90.6Very high16 Ų1638 Ų3817%0.16521%0.211CC..EExtended strand (participates in β ladder)trans142.6-171.9-176.500000114.1G140 N189 H190G140-G142 PolarHBondContact O-N 2.87Å; G140-G142 VanDerWaalsContact O-N 3.1Å; G142-N189 WeakPolarHBondContact CA-OD1 3.46Å; G142-N189 CarbonylContact O-C 3.43Å; G142-N189 WeakPolarHBondContact O-CA 3.4Å; G142-N189 PolarHBondContact O-OD1 2.9Å; G142-H190 PolarHBondContact N-O 2.73Å; G142-H190 PolarHBondContact O-N 2.71Å
143P83.9Confident90.7Very high28 Ų2837.9 Ų37.918%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-55.8136.7175.9-21.231.4000112F30 W137 S186 F188 L199F30-P143 HydrophobicContact CB-CB 4.44Å; F30-P143 HydrophobicContact CB-CG 3.76Å; F30-P143 HydrophobicContact CD1-CB 4.35Å; W137-P143 WeakPolarHBondContact CZ3-O 3.36Å; P143-S186 VanDerWaalsContact CB-OG 3.31Å; P143-S186 WeakPolarHBondContact CB-OG 3.44Å; P143-F188 CarbonylContact C-O 3.56Å; P143-F188 WeakPolarHBondContact CA-O 3.21Å; P143-L199 HydrophobicContact CB-CD1 4.17Å
144S90Very high90.7Very high0 Ų032.9 Ų32.90%019%0.186CC..EExtended strand (participates in β ladder)trans-155.4167.6-17455.20000110.3W137 S186 E187 F188W137-S144 WeakPolarHBondContact O-CA 3.49Å; W137-S144 WeakPolarHBondContact O-CB 3.37Å; S144-S186 WeakPolarHBondContact O-CA 3.32Å; S144-E187 PolarHBondContact O-N 3.48Å; S144-E187 VanDerWaalsContact O-N 3.1Å; S144-F188 PolarHBondContact N-O 3.43Å; S144-F188 PolarHBondContact O-N 3.35Å; S144-F188 PolarHBondContact OG-O 3.07Å
145G94Very high90.8Very high0 Ų026.9 Ų26.90%016%0.159CC..EExtended strand (participates in β ladder)trans165.8174.3176.200000113.9F136 W137F136-G145 CarbonylContact C-O 3.53Å; W137-G145 PolarHBondContact N-O 3.2Å; W137-G145 PolarHBondContact O-N 3.39Å; W137-G145 VanDerWaalsContact O-N 3.09Å
146P97.4Very high90.6Very high4 Ų431.6 Ų31.63%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-61153.4171.828.9-33.5000110Y108 D111 F136 F185 E187Y108-P146 HydrophobicContact CD1-CB 4.08Å; Y108-P146 HydrophobicContact CG-CB 4.24Å; D111-P146 HydrophobicContact CB-CB 4Å; D111-P146 HydrophobicContact CB-CG 4.32Å; F136-P146 HydrophobicContact CD2-CB 4.48Å; P146-F185 HydrophobicContact CG-CB 4.33Å; P146-F185 HydrophobicContact CG-CD2 4.48Å; P146-F185 WeakPolarHBondContact O-CA 3.23Å; P146-F185 VanDerWaalsContact O-CB 3.29Å; P146-F185 WeakPolarHBondContact O-CB 3.39Å; P146-F185 WeakPolarHBondContact O-CD2 3.4Å; P146-F185 PolarHBondContact O-N 3.49Å; P146-E187 WeakPolarHBondContact CD-OE1 3.48Å; P146-E187 WeakPolarHBondContact CG-OE1 3.26Å
147D97.5Very high90.5Very high5 Ų534 Ų343%0.02721%0.21CC..EExtended strand (participates in β ladder)trans-132.5169.9173.768.71.1000111.7N135 W137 N182 L183 V184N135-D147 WeakPolarHBondContact CA-OD1 3.16Å; N135-D147 WeakPolarHBondContact CB-OD1 3.44Å; N135-D147 PolarHBondContact ND2-OD1 3.08Å; N135-D147 PolarHBondContact O-N 3.02Å; N135-D147 VanDerWaalsContact O-OD1 3.11Å; W137-D147 HydrophobicContact CB-CB 4.38Å; D147-N182 VanDerWaalsContact CB-OD1 3.31Å; D147-N182 WeakPolarHBondContact CB-OD1 3.26Å; D147-N182 PolarHBondContact OD2-ND2 3.18Å; D147-N182 PolarHBondContact OD2-OD1 3Å; D147-L183 CarbonylContact C-O 3.5Å; D147-L183 VanDerWaalsContact CA-O 3.22Å; D147-L183 WeakPolarHBondContact CA-O 3.5Å; D147-L183 WeakPolarHBondContact CB-O 3.37Å; D147-V184 HydrophobicContact CB-CB 4.29Å; D147-V184 HydrophobicContact CB-CG2 3.97Å
148S98.2Very high90.6Very high0 Ų033.4 Ų33.40%021%0.209CC..EExtended strand (participates in β ladder)trans-136.4120173.7-175.30000109T106 W118 L183T106-S148 WeakPolarHBondContact O-CA 3.43Å; T106-S148 WeakPolarHBondContact O-CB 3.39Å; T106-S148 PolarHBondContact O-OG 2.91Å; W118-S148 PolarHBondContact NE1-OG 3.19Å; S148-L183 PolarHBondContact N-O 3.48Å; S148-L183 WeakPolarHBondContact O-CB 3.49Å; S148-L183 PolarHBondContact O-N 2.91Å
149E97.8Very high90.9Very high38 Ų3832.6 Ų32.618%0.17821%0.205CC..EExtended strand (participates in β ladder)trans-99.3144.3-180-63.1169.3151.700110.4V105 T106 N135 F151 E179 W181 N182V105-E149 CarbonylContact C-O 3.6Å; V105-E149 VanDerWaalsContact CA-O 3.23Å; V105-E149 WeakPolarHBondContact CA-O 3.46Å; T106-E149 PolarHBondContact N-O 3.32Å; T106-E149 PolarHBondContact O-N 2.95Å; T106-E149 WeakPolarHBondContact OG1-CB 3.35Å; T106-E149 PolarHBondContact OG1-N 3.12Å; N135-E149 PolarHBondContact ND2-OE2 3.03Å; E149-F151 HydrophobicContact CB-CD2 4.23Å; E149-F151 HydrophobicContact CB-CE2 3.54Å; E149-F151 HydrophobicContact CB-CZ 4.3Å; E149-E179 HydrophobicContact CB-CG 4.21Å; E149-E179 HydrophobicContact CG-CG 4.43Å; E149-W181 CarbonylContact C-O 3.49Å; E149-W181 WeakPolarHBondContact CA-O 3.19Å; E149-N182 HydrophobicContact CG-CB 3.93Å; E149-N182 PolarHBondContact OE1-ND2 3.29Å
150I98.1Very high91.7Very high0 Ų031.5 Ų31.50%020%0.199CC..EExtended strand (participates in β ladder)trans-109.4126.3178-51177.7000108.1A86 L90 L103 Y104 V105 W118 I180 W181 L183A86-I150 HydrophobicContact CB-CD1 4.03Å; L90-I150 HydrophobicContact CD1-CB 4.49Å; L90-I150 HydrophobicContact CD1-CD1 3.87Å; L90-I150 HydrophobicContact CD1-CG2 3.81Å; L103-I150 HydrophobicContact CD2-CG2 4.24Å; Y104-I150 WeakPolarHBondContact O-CA 3.35Å; V105-I150 HydrophobicContact CG1-CG1 4.21Å; V105-I150 HydrophobicContact CG1-CG2 4.42Å; W118-I150 HydrophobicContact CH2-CD1 3.89Å; W118-I150 HydrophobicContact CH2-CG1 4.24Å; W118-I150 HydrophobicContact CZ2-CD1 4.2Å; W118-I150 HydrophobicContact CZ2-CG1 4.21Å; I150-I180 HydrophobicContact CB-CG1 4.35Å; I150-I180 HydrophobicContact CG2-CD1 4.28Å; I150-I180 HydrophobicContact CG2-CG1 4.27Å; I150-I180 WeakPolarHBondContact O-CG1 3.43Å; I150-I180 PolarHBondContact O-N 3.27Å; I150-W181 HydrophobicContact CB-CB 4.3Å; I150-W181 HydrophobicContact CD1-CB 4.39Å; I150-W181 HydrophobicContact CD1-CE3 4.3Å; I150-W181 PolarHBondContact N-O 3.03Å; I150-W181 PolarHBondContact O-N 3.16Å; I150-L183 HydrophobicContact CD1-CD1 4.29Å
151F97.7Very high92.6Very high11 Ų1132.2 Ų32.25%0.04820%0.196CC..EExtended strand (participates in β ladder)trans-113.5143179.9-68.9-106.8000110.6L103 Y104 T106 E149 P170 L178 E179L103-F151 WeakPolarHBondContact CA-O 3.34Å; Y104-F151 PolarHBondContact N-O 3.05Å; Y104-F151 PolarHBondContact O-N 2.69Å; T106-F151 HydrophobicContact CG2-CD2 3.91Å; T106-F151 HydrophobicContact CG2-CE2 3.47Å; T106-F151 VanDerWaalsContact CG2-CE2 3.47Å; T106-F151 HydrophobicContact CG2-CZ 4.34Å; E149-F151 HydrophobicContact CB-CD2 4.23Å; E149-F151 HydrophobicContact CB-CE2 3.54Å; E149-F151 HydrophobicContact CB-CZ 4.3Å; F151-P170 WeakPolarHBondContact CD1-O 3.42Å; F151-P170 WeakPolarHBondContact CD2-O 3.43Å; F151-P170 WeakPolarHBondContact CE1-O 3.43Å; F151-P170 VanDerWaalsContact CE2-O 3.28Å; F151-P170 WeakPolarHBondContact CE2-O 2.76Å; F151-P170 WeakPolarHBondContact CG-O 3.39Å; F151-L178 CarbonylContact C-O 3.49Å; F151-L178 WeakPolarHBondContact CA-O 3.49Å; F151-E179 HydrophobicContact CD1-CB 3.84Å; F151-E179 VanDerWaalsContact CD1-N 3.26Å; F151-E179 HydrophobicContact CE1-CB 3.46Å; F151-E179 VanDerWaalsContact CE1-CB 3.46Å; F151-E179 HydrophobicContact CE1-CG 4.24Å; F151-E179 HydrophobicContact CE2-CB 4.38Å; F151-E179 HydrophobicContact CE2-CG 4.34Å; F151-E179 HydrophobicContact CG-CB 4.44Å; F151-E179 HydrophobicContact CZ-CB 3.75Å; F151-E179 HydrophobicContact CZ-CG 3.99Å
152Y97.3Very high93.6Very high28 Ų2831.2 Ų31.211%0.1119%0.188CC..EExtended strand (participates in β ladder)trans-106.5124.3172.7-172.3-82.9000110.3F98 K102 L103 R154 L178 I216F98-Y152 HydrophobicContact CB-CE2 4.08Å; F98-Y152 AromaticContact CD1-CE2 3.98Å; F98-Y152 HydrophobicContact CD1-CE2 3.98Å; F98-Y152 AromaticContact CD2-CD2 3.86Å; F98-Y152 HydrophobicContact CD2-CD2 3.86Å; F98-Y152 AromaticContact CD2-CE2 3.9Å; F98-Y152 HydrophobicContact CD2-CE2 3.9Å; F98-Y152 HydrophobicContact CE1-CE2 4.36Å; F98-Y152 HydrophobicContact CE2-CD2 4.11Å; F98-Y152 HydrophobicContact CE2-CE2 4.28Å; F98-Y152 HydrophobicContact CG-CD2 4.18Å; F98-Y152 AromaticContact CG-CE2 3.74Å; F98-Y152 HydrophobicContact CG-CE2 3.74Å; K102-Y152 HydrophobicContact CB-CD2 4.45Å; K102-Y152 HydrophobicContact CB-CE2 4.06Å; K102-Y152 HydrophobicContact CD-CE1 4.06Å; K102-Y152 HydrophobicContact CD-CE2 4.27Å; K102-Y152 VanDerWaalsContact CD-OH 3.23Å; K102-Y152 WeakPolarHBondContact CD-OH 3.25Å; L103-Y152 HydrophobicContact CD2-CD2 3.76Å; Y152-R154 HydrophobicContact CD1-CG 4.01Å; Y152-R154 PolarHBondContact O-N 2.78Å; Y152-L178 PolarHBondContact N-O 3.07Å; Y152-L178 PolarHBondContact O-N 3.34Å; Y152-I216 HydrophobicContact CD1-CD1 4.15Å; Y152-I216 HydrophobicContact CD1-CG1 4.21Å; Y152-I216 HydrophobicContact CD1-CG2 3.8Å; Y152-I216 HydrophobicContact CD2-CG2 4.09Å; Y152-I216 HydrophobicContact CE1-CG2 3.65Å; Y152-I216 HydrophobicContact CE2-CG2 3.95Å; Y152-I216 HydrophobicContact CG-CD1 3.95Å; Y152-I216 HydrophobicContact CG-CG1 4.47Å; Y152-I216 HydrophobicContact CG-CG2 4.02Å
153D97.3Very high94.1Very high18 Ų1838.9 Ų38.910%0.09622%0.219CC..EExtended strand (participates in β ladder)trans-76.1102.5170.9-173.62.6000110.3K102 Y104 G155 R176 Y177K102-D153 PolarHBondContact O-N 2.92Å; Y104-D153 HydrophobicContact CD2-CB 4.21Å; Y104-D153 HydrophobicContact CE2-CB 3.83Å; D153-G155 PolarHBondContact O-N 2.8Å; D153-G155 VanDerWaalsContact OD1-CA 3.26Å; D153-G155 WeakPolarHBondContact OD1-CA 3.49Å; D153-G155 PolarHBondContact OD1-N 3.04Å; D153-R176 WeakPolarHBondContact OD1-CG 3.43Å; D153-R176 IonicContact OD1-CZ 3.75Å; D153-R176 IonicContact OD1-NE 2.71Å; D153-R176 PolarHBondContact OD1-NE 3.32Å; D153-R176 IonicContact OD1-NH2 3.26Å; D153-R176 IonicContact OD2-CZ 2.85Å; D153-R176 IonicContact OD2-NE 3.17Å; D153-R176 PolarHBondContact OD2-NE 3.27Å; D153-R176 IonicContact OD2-NH2 2.72Å; D153-R176 PolarHBondContact OD2-NH2 2.93Å; D153-Y177 HydrophobicContact CB-CD1 4Å; D153-Y177 HydrophobicContact CB-CE1 3.82Å
154R95.1Very high94.4Very high21 Ų2144.5 Ų44.58%0.07925%0.248CC..  trans-71.4-15.6175.8-56.1-171.168.4-159.9-1.1112.4Y152 F158 R176 L178 A220 P221Y152-R154 HydrophobicContact CD1-CG 4.01Å; Y152-R154 PolarHBondContact O-N 2.78Å; R154-F158 HydrophobicContact CB-CB 4Å; R154-F158 HydrophobicContact CB-CD2 3.57Å; R154-F158 HydrophobicContact CB-CE2 4.15Å; R154-F158 HydrophobicContact CB-CG 3.77Å; R154-F158 VanDerWaalsContact CZ-CD1 3.47Å; R154-F158 VanDerWaalsContact NH2-CZ 3.3Å; R154-F158 VanDerWaalsContact O-CD2 3.31Å; R154-F158 WeakPolarHBondContact O-CD2 3.37Å; R154-R176 WeakPolarHBondContact CB-O 3.41Å; R154-R176 WeakPolarHBondContact CG-O 3.49Å; R154-R176 PolarHBondContact N-O 3.28Å; R154-L178 HydrophobicContact CG-CB 4.42Å; R154-A220 PolarHBondContact NH2-O 2.91Å; R154-P221 PolarHBondContact NH1-O 2.9Å
155G94.4Very high94.6Very high20 Ų2047.2 Ų47.221%0.20626%0.262CS..  trans99.8164.9178.800000113.4D153 A157 F158D153-G155 PolarHBondContact O-N 2.8Å; D153-G155 VanDerWaalsContact OD1-CA 3.26Å; D153-G155 WeakPolarHBondContact OD1-CA 3.49Å; D153-G155 PolarHBondContact OD1-N 3.04Å; G155-A157 PolarHBondContact O-N 2.84Å; G155-F158 PolarHBondContact O-N 2.88Å
156E93Very high94.6Very high102 Ų10252.3 Ų52.348%0.47730%0.295SS..G310 helixtrans-57-25-172.7-159.460.7-140.600114.6F158 N159 R176E156-F158 PolarHBondContact O-N 3.31Å; E156-N159 WeakPolarHBondContact O-CB 3.28Å; E156-N159 PolarHBondContact O-N 3.33Å; E156-N159 VanDerWaalsContact O-N 3.13Å; E156-N159 PolarHBondContact OE1-ND2 2.9Å; E156-R176 IonicContact OE2-CZ 2.84Å; E156-R176 IonicContact OE2-NH1 3.41Å; E156-R176 PolarHBondContact OE2-NH1 3.15Å
157A93.2Very high94.3Very high101 Ų10155.7 Ų55.784%0.83531%0.311SS*.G310 helixtrans-63.9-18.917700000113.5G155G155-A157 PolarHBondContact O-N 2.84Å
158F93.7Very high94.1Very high45 Ų4557 Ų5720%0.19732%0.318CS..G310 helixtrans-99.8-2.4178.2-67.9-86.3000113.4R154 G155 E156 D160 E175 R176R154-F158 HydrophobicContact CB-CB 4Å; R154-F158 HydrophobicContact CB-CD2 3.57Å; R154-F158 HydrophobicContact CB-CE2 4.15Å; R154-F158 HydrophobicContact CB-CG 3.77Å; R154-F158 VanDerWaalsContact CZ-CD1 3.47Å; R154-F158 VanDerWaalsContact NH2-CZ 3.3Å; R154-F158 VanDerWaalsContact O-CD2 3.31Å; R154-F158 WeakPolarHBondContact O-CD2 3.37Å; G155-F158 PolarHBondContact O-N 2.88Å; E156-F158 PolarHBondContact O-N 3.31Å; F158-D160 PolarHBondContact O-N 3.48Å; F158-E175 CarbonylContact O-C 3.53Å; F158-R176 PolarHBondContact O-N 3.08Å
159N92.7Very high93.9Very high30 Ų3060.4 Ų60.416%0.1633%0.331CS..  trans-70.8113.2177.4-169.42.6000110E156 L161 N168 R176E156-N159 WeakPolarHBondContact O-CB 3.28Å; E156-N159 PolarHBondContact O-N 3.33Å; E156-N159 VanDerWaalsContact O-N 3.13Å; E156-N159 PolarHBondContact OE1-ND2 2.9Å; N159-L161 PolarHBondContact OD1-N 3.14Å; N159-L161 PolarHBondContact OD1-O 2.89Å; N159-N168 PolarHBondContact ND2-ND2 3.5Å; N159-R176 HydrophobicContact CB-CB 4.22Å
160D91.2Very high93.6Very high91 Ų9159.2 Ų59.249%0.48733%0.327SS..  trans-99.9-4.6-178.566.3-46.5000113.2F158 E175F158-D160 PolarHBondContact O-N 3.48Å; D160-E175 HydrophobicContact CB-CB 4.44Å; D160-E175 HydrophobicContact CB-CG 4.33Å; D160-E175 PolarHBondContact OD1-N 3.14Å; D160-E175 WeakPolarHBondContact OD2-CG 3.34Å
161L92.7Very high93.2Very high45 Ų4560 Ų6024%0.23634%0.335CS..SBendtrans-104.8165.3179.1-58.3-173.9000112.2N159 D165 E167 N168 N174N159-L161 PolarHBondContact OD1-N 3.14Å; N159-L161 PolarHBondContact OD1-O 2.89Å; L161-D165 HydrophobicContact CB-CB 3.93Å; L161-D165 HydrophobicContact CD1-CB 4.28Å; L161-E167 HydrophobicContact CD1-CB 3.66Å; L161-N168 HydrophobicContact CB-CB 4.36Å; L161-N168 HydrophobicContact CD1-CB 4.46Å; L161-N174 HydrophobicContact CD1-CB 3.65Å; L161-N174 HydrophobicContact CG-CB 4.04Å
162A91.7Very high92.9Very high53 Ų5359.8 Ų59.844%0.43834%0.336SS..  trans-69.7152.8170.700000110.9D164 D165 N168A162-D164 WeakPolarHBondContact CB-OD1 3.47Å; A162-D164 PolarHBondContact O-N 3.49Å; A162-D164 VanDerWaalsContact O-N 3.15Å; A162-D165 HydrophobicContact CB-CB 4.44Å; A162-D165 VanDerWaalsContact O-CB 3.31Å; A162-D165 WeakPolarHBondContact O-CB 3.42Å; A162-D165 PolarHBondContact O-N 3.41Å; A162-D165 VanDerWaalsContact O-N 3.07Å; A162-N168 PolarHBondContact O-ND2 3.02Å
163E88.6Confident92.6Very high177 Ų17764.5 Ų64.583%0.82736%0.359SS*.THydrogen-bonded Turntrans-58.2-28.8178.3-74.1-176.2-176.600113.2
164D91.8Very high92.3Very high145 Ų14563.7 Ų63.778%0.77536%0.355SS*.THydrogen-bonded Turntrans-99.17.6179.865.1-28.7000114.1A162A162-D164 WeakPolarHBondContact CB-OD1 3.47Å; A162-D164 PolarHBondContact O-N 3.49Å; A162-D164 VanDerWaalsContact O-N 3.15Å
165D93.5Very high92.1Very high57 Ų5764 Ų6431%0.30536%0.357SS..  trans-67.3129.6175.3-161.5-65.3000110.2L161 A162 E167 N168L161-D165 HydrophobicContact CB-CB 3.93Å; L161-D165 HydrophobicContact CD1-CB 4.28Å; A162-D165 HydrophobicContact CB-CB 4.44Å; A162-D165 VanDerWaalsContact O-CB 3.31Å; A162-D165 WeakPolarHBondContact O-CB 3.42Å; A162-D165 PolarHBondContact O-N 3.41Å; A162-D165 VanDerWaalsContact O-N 3.07Å; D165-E167 PolarHBondContact O-N 2.9Å; D165-E167 VanDerWaalsContact O-N 3.13Å; D165-E167 WeakPolarHBondContact OD1-CB 3.48Å; D165-E167 PolarHBondContact OD1-N 3.32Å; D165-N168 HydrophobicContact CB-CB 4.31Å; D165-N168 WeakPolarHBondContact O-CB 3.38Å; D165-N168 PolarHBondContact O-N 3Å
166P93.1Very high92.1Very high107 Ų10765 Ų6570%0.69536%0.355SS*.THydrogen-bonded Turntrans-60-21.118025.3-35.6000113.9Y169P166-Y169 VanDerWaalsContact O-CD1 3.27Å; P166-Y169 WeakPolarHBondContact O-CD1 3.5Å; P166-Y169 WeakPolarHBondContact O-CE1 3.3Å
167E92.8Very high92.3Very high75 Ų7561.3 Ų61.335%0.3534%0.336SS..THydrogen-bonded Turntrans-88.4-2.4178.3-63.1-60.4141.600113.5L161 D165 Y169 G172 E173 N174L161-E167 HydrophobicContact CD1-CB 3.66Å; D165-E167 PolarHBondContact O-N 2.9Å; D165-E167 VanDerWaalsContact O-N 3.13Å; D165-E167 WeakPolarHBondContact OD1-CB 3.48Å; D165-E167 PolarHBondContact OD1-N 3.32Å; E167-Y169 VanDerWaalsContact C-N 3.3Å; E167-Y169 PolarHBondContact O-N 3.46Å; E167-G172 CarbonylContact O-C 3.46Å; E167-G172 WeakPolarHBondContact O-CA 3.45Å; E167-G172 VanDerWaalsContact OE2-CA 3.24Å; E167-G172 WeakPolarHBondContact OE2-CA 3.44Å; E167-E173 PolarHBondContact OE2-N 2.98Å; E167-N174 PolarHBondContact O-ND2 2.95Å
168N92.9Very high92.3Very high33 Ų3356.7 Ų56.718%0.17630%0.298CS..  trans-84.467.7-179.7-174.69.9000112.1N159 L161 A162 D165N159-N168 PolarHBondContact ND2-ND2 3.5Å; L161-N168 HydrophobicContact CB-CB 4.36Å; L161-N168 HydrophobicContact CD1-CB 4.46Å; A162-N168 PolarHBondContact O-ND2 3.02Å; D165-N168 HydrophobicContact CB-CB 4.31Å; D165-N168 WeakPolarHBondContact O-CB 3.38Å; D165-N168 PolarHBondContact O-N 3Å
169Y94.1Very high92.4Very high71 Ų7157 Ų5728%0.27830%0.3SS..SBendtrans-151.5169.6174.673.5-83.7000111.3V130 I132 P166 E167 G171 G172 N174 Y177V130-Y169 HydrophobicContact CG1-CD2 4.2Å; V130-Y169 HydrophobicContact CG1-CE2 4.22Å; I132-Y169 HydrophobicContact CD1-CE2 3.77Å; I132-Y169 HydrophobicContact CG1-CE2 4.41Å; P166-Y169 VanDerWaalsContact O-CD1 3.27Å; P166-Y169 WeakPolarHBondContact O-CD1 3.5Å; P166-Y169 WeakPolarHBondContact O-CE1 3.3Å; E167-Y169 VanDerWaalsContact C-N 3.3Å; E167-Y169 PolarHBondContact O-N 3.46Å; Y169-G171 VanDerWaalsContact CE2-CA 3.44Å; Y169-G171 PolarHBondContact O-N 3.11Å; Y169-G171 PolarHBondContact OH-O 3.24Å; Y169-G172 VanDerWaalsContact CE1-CA 3.49Å; Y169-G172 VanDerWaalsContact CZ-N 3.32Å; Y169-G172 PolarHBondContact O-N 3.36Å; Y169-G172 VanDerWaalsContact O-N 3.1Å; Y169-N174 PolarHBondContact O-ND2 3.23Å; Y169-Y177 VanDerWaalsContact C-CD2 3.46Å; Y169-Y177 WeakPolarHBondContact O-CD2 3.43Å
170P90.5Very high92.5Very high14 Ų1455.6 Ų55.69%0.09129%0.292CS..THydrogen-bonded Turntrans-64.713.3-176.4-19.630.1000118.2Y104 V130 F151 Y177Y104-P170 VanDerWaalsContact CB-CB 3.47Å; Y104-P170 HydrophobicContact CD1-CB 3.86Å; Y104-P170 HydrophobicContact CD1-CG 3.45Å; Y104-P170 VanDerWaalsContact CD1-CG 3.45Å; Y104-P170 HydrophobicContact CD2-CB 4.48Å; Y104-P170 HydrophobicContact CD2-CG 4.44Å; Y104-P170 HydrophobicContact CE1-CG 4.01Å; Y104-P170 HydrophobicContact CG-CB 3.69Å; Y104-P170 HydrophobicContact CG-CG 3.73Å; V130-P170 HydrophobicContact CG2-CB 4.47Å; V130-P170 HydrophobicContact CG2-CG 4.48Å; F151-P170 WeakPolarHBondContact CD1-O 3.42Å; F151-P170 WeakPolarHBondContact CD2-O 3.43Å; F151-P170 WeakPolarHBondContact CE1-O 3.43Å; F151-P170 VanDerWaalsContact CE2-O 3.28Å; F151-P170 WeakPolarHBondContact CE2-O 2.76Å; F151-P170 WeakPolarHBondContact CG-O 3.39Å; P170-Y177 HydrophobicContact CB-CD1 3.82Å; P170-Y177 HydrophobicContact CB-CE1 4.17Å; P170-Y177 HydrophobicContact CB-CG 4.06Å; P170-Y177 HydrophobicContact CG-CD1 3.83Å; P170-Y177 HydrophobicContact CG-CD2 4.41Å; P170-Y177 HydrophobicContact CG-CE1 3.66Å; P170-Y177 HydrophobicContact CG-CE2 4.25Å; P170-Y177 HydrophobicContact CG-CG 4.21Å
171G90.9Very high92.8Very high17 Ų1751.9 Ų51.918%0.17527%0.271CS..THydrogen-bonded Turntrans-150.418.217200000112.6Y169Y169-G171 VanDerWaalsContact CE2-CA 3.44Å; Y169-G171 PolarHBondContact O-N 3.11Å; Y169-G171 PolarHBondContact OH-O 3.24Å
172G91.4Very high93.1Very high6 Ų650.6 Ų50.66%0.06227%0.265CS..SBendtrans-100.9169173.500000111E167 Y169 N174E167-G172 CarbonylContact O-C 3.46Å; E167-G172 WeakPolarHBondContact O-CA 3.45Å; E167-G172 VanDerWaalsContact OE2-CA 3.24Å; E167-G172 WeakPolarHBondContact OE2-CA 3.44Å; Y169-G172 VanDerWaalsContact CE1-CA 3.49Å; Y169-G172 VanDerWaalsContact CZ-N 3.32Å; Y169-G172 PolarHBondContact O-N 3.36Å; Y169-G172 VanDerWaalsContact O-N 3.1Å; G172-N174 VanDerWaalsContact C-N 3.34Å; G172-N174 PolarHBondContact O-N 3.47Å; G172-N174 PolarHBondContact O-ND2 3.47Å; G172-N174 VanDerWaalsContact O-ND2 3.16Å
173E89.5Confident93.4Very high127 Ų12748.1 Ų48.159%0.59324%0.244SC*.SBendtrans-7875.9-176.5-67.9-68.9154.600112.3R61 E167R61-E173 IonicContact CZ-OE2 2.8Å; R61-E173 IonicContact NH2-OE2 2.54Å; R61-E173 PolarHBondContact NH2-OE2 2.85Å; E167-E173 PolarHBondContact OE2-N 2.98Å
174N92Very high93.7Very high1 Ų139.9 Ų39.91%0.00521%0.206CC..  trans-132.3170.9177.366.784.5000112.5R61 L161 E167 Y169 G172 R176 Y177R61-N174 PolarHBondContact NH1-O 2.99Å; L161-N174 HydrophobicContact CD1-CB 3.65Å; L161-N174 HydrophobicContact CG-CB 4.04Å; E167-N174 PolarHBondContact O-ND2 2.95Å; Y169-N174 PolarHBondContact O-ND2 3.23Å; G172-N174 VanDerWaalsContact C-N 3.34Å; G172-N174 PolarHBondContact O-N 3.47Å; G172-N174 PolarHBondContact O-ND2 3.47Å; G172-N174 VanDerWaalsContact O-ND2 3.16Å; N174-R176 PolarHBondContact OD1-N 3.36Å; N174-R176 VanDerWaalsContact OD1-N 3.13Å; N174-Y177 WeakPolarHBondContact OD1-CD2 3.37Å; N174-Y177 PolarHBondContact OD1-N 2.94Å
175E91.1Very high94Very high27 Ų2733 Ų3313%0.12617%0.169CC..SBendtrans-99.3-4.2-178.6-57.4-69-166.300113.8A60 R61 F158 D160A60-E175 VanDerWaalsContact CB-CD 3.47Å; A60-E175 HydrophobicContact CB-CG 4.38Å; A60-E175 VanDerWaalsContact CB-OE1 3.29Å; A60-E175 WeakPolarHBondContact CB-OE1 3.4Å; A60-E175 WeakPolarHBondContact CB-OE2 3.23Å; A60-E175 PolarHBondContact N-OE1 3.41Å; R61-E175 IonicContact CZ-OE2 2.68Å; R61-E175 IonicContact NH1-OE1 3.78Å; R61-E175 PolarHBondContact NH1-OE1 3.46Å; R61-E175 IonicContact NH1-OE2 3.24Å; R61-E175 PolarHBondContact NH1-OE2 2.94Å; F158-E175 CarbonylContact O-C 3.53Å; D160-E175 HydrophobicContact CB-CB 4.44Å; D160-E175 HydrophobicContact CB-CG 4.33Å; D160-E175 PolarHBondContact OD1-N 3.14Å; D160-E175 WeakPolarHBondContact OD2-CG 3.34Å
176R94.7Very high93.9Very high42 Ų4230.4 Ų30.416%0.15816%0.156CC..SBendtrans-78.8-52.4174.3172.7-178.9175.3-179.61.6111.5D153 R154 E156 F158 N159 N174D153-R176 WeakPolarHBondContact OD1-CG 3.43Å; D153-R176 IonicContact OD1-CZ 3.75Å; D153-R176 IonicContact OD1-NE 2.71Å; D153-R176 PolarHBondContact OD1-NE 3.32Å; D153-R176 IonicContact OD1-NH2 3.26Å; D153-R176 IonicContact OD2-CZ 2.85Å; D153-R176 IonicContact OD2-NE 3.17Å; D153-R176 PolarHBondContact OD2-NE 3.27Å; D153-R176 IonicContact OD2-NH2 2.72Å; D153-R176 PolarHBondContact OD2-NH2 2.93Å; R154-R176 WeakPolarHBondContact CB-O 3.41Å; R154-R176 WeakPolarHBondContact CG-O 3.49Å; R154-R176 PolarHBondContact N-O 3.28Å; E156-R176 IonicContact OE2-CZ 2.84Å; E156-R176 IonicContact OE2-NH1 3.41Å; E156-R176 PolarHBondContact OE2-NH1 3.15Å; F158-R176 PolarHBondContact O-N 3.08Å; N159-R176 HydrophobicContact CB-CB 4.22Å; N174-R176 PolarHBondContact OD1-N 3.36Å; N174-R176 VanDerWaalsContact OD1-N 3.13Å
177Y95.4Very high93.8Very high23 Ų2326.9 Ų26.99%0.0913%0.13CC..EExtended strand (participates in β ladder)trans-96.397.2-180-62.2-74.7000108.5Y104 D153 Y169 P170 N174Y104-Y177 HydrophobicContact CD2-CD1 4.17Å; Y104-Y177 AromaticContact CD2-CE1 3.97Å; Y104-Y177 HydrophobicContact CD2-CE1 3.97Å; Y104-Y177 HydrophobicContact CE2-CD1 4.47Å; Y104-Y177 AromaticContact CE2-CE1 3.85Å; Y104-Y177 HydrophobicContact CE2-CE1 3.85Å; Y104-Y177 HydrophobicContact CG-CE1 4.49Å; D153-Y177 HydrophobicContact CB-CD1 4Å; D153-Y177 HydrophobicContact CB-CE1 3.82Å; Y169-Y177 VanDerWaalsContact C-CD2 3.46Å; Y169-Y177 WeakPolarHBondContact O-CD2 3.43Å; P170-Y177 HydrophobicContact CB-CD1 3.82Å; P170-Y177 HydrophobicContact CB-CE1 4.17Å; P170-Y177 HydrophobicContact CB-CG 4.06Å; P170-Y177 HydrophobicContact CG-CD1 3.83Å; P170-Y177 HydrophobicContact CG-CD2 4.41Å; P170-Y177 HydrophobicContact CG-CE1 3.66Å; P170-Y177 HydrophobicContact CG-CE2 4.25Å; P170-Y177 HydrophobicContact CG-CG 4.21Å; N174-Y177 WeakPolarHBondContact OD1-CD2 3.37Å; N174-Y177 PolarHBondContact OD1-N 2.94Å
178L94.7Very high93.7Very high5 Ų526.1 Ų26.13%0.02613%0.125CC..EExtended strand (participates in β ladder)trans-93.6116.6-177.1-17263.2000109.9F151 Y152 R154 I180 R212 I216F151-L178 CarbonylContact C-O 3.49Å; F151-L178 WeakPolarHBondContact CA-O 3.49Å; Y152-L178 PolarHBondContact N-O 3.07Å; Y152-L178 PolarHBondContact O-N 3.34Å; R154-L178 HydrophobicContact CG-CB 4.42Å; L178-I180 PolarHBondContact O-N 2.77Å; L178-R212 HydrophobicContact CD1-CG 4.39Å; L178-R212 HydrophobicContact CD2-CB 3.91Å; L178-R212 HydrophobicContact CD2-CG 4.14Å; L178-R212 HydrophobicContact CG-CB 4.42Å; L178-R212 HydrophobicContact CG-CG 4.4Å; L178-I216 HydrophobicContact CD2-CD1 4.07Å; L178-I216 HydrophobicContact CD2-CG1 4.26Å
179E95.3Very high93.4Very high50 Ų5027.3 Ų27.323%0.23413%0.132CC..EExtended strand (participates in β ladder)trans-59.1116.9168.9-175.8-135.2147.800108.8E149 F151 R212E149-E179 HydrophobicContact CB-CG 4.21Å; E149-E179 HydrophobicContact CG-CG 4.43Å; F151-E179 HydrophobicContact CD1-CB 3.84Å; F151-E179 VanDerWaalsContact CD1-N 3.26Å; F151-E179 HydrophobicContact CE1-CB 3.46Å; F151-E179 VanDerWaalsContact CE1-CB 3.46Å; F151-E179 HydrophobicContact CE1-CG 4.24Å; F151-E179 HydrophobicContact CE2-CB 4.38Å; F151-E179 HydrophobicContact CE2-CG 4.34Å; F151-E179 HydrophobicContact CG-CB 4.44Å; F151-E179 HydrophobicContact CZ-CB 3.75Å; F151-E179 HydrophobicContact CZ-CG 3.99Å; E179-R212 WeakPolarHBondContact O-CD 3.32Å; E179-R212 PolarHBondContact O-NH1 3.43Å; E179-R212 IonicContact OE1-NH1 3.05Å; E179-R212 IonicContact OE2-CZ 2.77Å; E179-R212 IonicContact OE2-NH1 3.47Å; E179-R212 PolarHBondContact OE2-NH1 3.36Å; E179-R212 IonicContact OE2-NH2 2.77Å
180I95.8Very high93Very high1 Ų124.8 Ų24.81%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-105.5-29.1-179.551.9169.7000112.6L90 F98 L103 I150 L178 M208 G209 M213 I216L90-I180 HydrophobicContact CD1-CD1 3.83Å; L90-I180 HydrophobicContact CD2-CD1 3.93Å; F98-I180 HydrophobicContact CE2-CD1 4.43Å; L103-I180 HydrophobicContact CD2-CD1 4.23Å; I150-I180 HydrophobicContact CB-CG1 4.35Å; I150-I180 HydrophobicContact CG2-CD1 4.28Å; I150-I180 HydrophobicContact CG2-CG1 4.27Å; I150-I180 WeakPolarHBondContact O-CG1 3.43Å; I150-I180 PolarHBondContact O-N 3.27Å; L178-I180 PolarHBondContact O-N 2.77Å; I180-M208 VanDerWaalsContact O-CA 3.3Å; I180-M208 WeakPolarHBondContact O-CA 3.29Å; I180-M208 VanDerWaalsContact O-CG 3.28Å; I180-M208 WeakPolarHBondContact O-CG 3.27Å; I180-G209 PolarHBondContact O-N 3.21Å; I180-M213 HydrophobicContact CB-SD 3.97Å; I180-M213 HydrophobicContact CD1-SD 4.08Å; I180-M213 HydrophobicContact CG2-SD 4.16Å; I180-I216 HydrophobicContact CG2-CD1 3.22Å
181W97.4Very high92.6Very high14 Ų1424.6 Ų24.65%0.05312%0.121CC..EExtended strand (participates in β ladder)trans-151.7128-172.3-157.6-10000111.1N71 A86 F89 L90 E149 I150 L183 T206 M208N71-W181 WeakPolarHBondContact OD1-CZ2 3.5Å; A86-W181 VanDerWaalsContact CA-CZ3 3.43Å; A86-W181 HydrophobicContact CB-CD2 4.46Å; A86-W181 HydrophobicContact CB-CE3 3.95Å; A86-W181 HydrophobicContact CB-CH2 3.84Å; A86-W181 HydrophobicContact CB-CZ2 4.35Å; A86-W181 HydrophobicContact CB-CZ3 3.62Å; F89-W181 HydrophobicContact CB-CH2 4.39Å; F89-W181 HydrophobicContact CB-CZ3 4.27Å; F89-W181 HydrophobicContact CD1-CH2 4.1Å; F89-W181 AromaticContact CD1-CZ3 3.82Å; F89-W181 HydrophobicContact CD1-CZ3 3.82Å; F89-W181 HydrophobicContact CG-CZ3 4.45Å; L90-W181 HydrophobicContact CD1-CE3 3.97Å; L90-W181 HydrophobicContact CD1-CZ3 4.43Å; L90-W181 HydrophobicContact CD2-CE3 4.29Å; L90-W181 HydrophobicContact CD2-CZ3 4.46Å; L90-W181 HydrophobicContact CG-CE3 4.04Å; L90-W181 HydrophobicContact CG-CZ3 4.09Å; E149-W181 CarbonylContact C-O 3.49Å; E149-W181 WeakPolarHBondContact CA-O 3.19Å; I150-W181 HydrophobicContact CB-CB 4.3Å; I150-W181 HydrophobicContact CD1-CB 4.39Å; I150-W181 HydrophobicContact CD1-CE3 4.3Å; I150-W181 PolarHBondContact N-O 3.03Å; I150-W181 PolarHBondContact O-N 3.16Å; W181-L183 HydrophobicContact CD2-CD2 4.09Å; W181-L183 HydrophobicContact CG-CD2 4.13Å; W181-L183 HydrophobicContact CZ2-CD2 4.43Å; W181-T206 VanDerWaalsContact NE1-CB 3.29Å; W181-T206 PolarHBondContact NE1-OG1 3.02Å; W181-M208 HydrophobicContact CB-CB 4.23Å; W181-M208 HydrophobicContact CD2-CB 4.13Å; W181-M208 HydrophobicContact CD2-SD 4.05Å; W181-M208 HydrophobicContact CE3-SD 4.01Å; W181-M208 HydrophobicContact CG-CB 3.77Å; W181-M208 HydrophobicContact CG-CG 4.38Å; W181-M208 HydrophobicContact CG-SD 4.4Å; W181-M208 HydrophobicContact CZ3-SD 4.44Å
182N97.2Very high92.1Very high17 Ų1729.1 Ų29.19%0.09115%0.147CC..EExtended strand (participates in β ladder)trans-104.4126.3169.3-172.4-26.7000110.1D147 E149 V184 T206 G207D147-N182 VanDerWaalsContact CB-OD1 3.31Å; D147-N182 WeakPolarHBondContact CB-OD1 3.26Å; D147-N182 PolarHBondContact OD2-ND2 3.18Å; D147-N182 PolarHBondContact OD2-OD1 3Å; E149-N182 HydrophobicContact CG-CB 3.93Å; E149-N182 PolarHBondContact OE1-ND2 3.29Å; N182-V184 WeakPolarHBondContact OD1-CG2 2.99Å; N182-T206 VanDerWaalsContact O-CA 3.27Å; N182-T206 WeakPolarHBondContact O-CA 3.45Å; N182-G207 PolarHBondContact N-O 3.47Å; N182-G207 PolarHBondContact O-N 3.01Å
183L98Very high91.8Very high2 Ų235.7 Ų35.71%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-103.999.1174.8-51.2-177.6000109.9I83 A86 W118 D147 S148 I150 W181 F185 T206I83-L183 HydrophobicContact CG1-CD1 4.08Å; A86-L183 HydrophobicContact CB-CD1 3.84Å; A86-L183 HydrophobicContact CB-CD2 3.93Å; A86-L183 HydrophobicContact CB-CG 4.49Å; W118-L183 HydrophobicContact CZ2-CD1 4.09Å; D147-L183 CarbonylContact C-O 3.5Å; D147-L183 VanDerWaalsContact CA-O 3.22Å; D147-L183 WeakPolarHBondContact CA-O 3.5Å; D147-L183 WeakPolarHBondContact CB-O 3.37Å; S148-L183 PolarHBondContact N-O 3.48Å; S148-L183 WeakPolarHBondContact O-CB 3.49Å; S148-L183 PolarHBondContact O-N 2.91Å; I150-L183 HydrophobicContact CD1-CD1 4.29Å; W181-L183 HydrophobicContact CD2-CD2 4.09Å; W181-L183 HydrophobicContact CG-CD2 4.13Å; W181-L183 HydrophobicContact CZ2-CD2 4.43Å; L183-F185 HydrophobicContact CB-CE1 4.04Å; L183-F185 HydrophobicContact CB-CZ 4.07Å; L183-T206 HydrophobicContact CD2-CG2 3.73Å
184V96.3Very high91.7Very high4 Ų435.4 Ų35.42%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-90.4121.5-177.9-1780000110.8W137 D147 N182 S186 D205W137-V184 HydrophobicContact CB-CB 4.41Å; W137-V184 HydrophobicContact CB-CG1 3.6Å; W137-V184 HydrophobicContact CB-CG2 3.91Å; W137-V184 HydrophobicContact CD2-CG1 4.13Å; W137-V184 HydrophobicContact CD2-CG2 4.34Å; W137-V184 HydrophobicContact CE3-CG1 4.28Å; W137-V184 HydrophobicContact CG-CB 4.47Å; W137-V184 HydrophobicContact CG-CG1 3.87Å; W137-V184 HydrophobicContact CG-CG2 3.72Å; D147-V184 HydrophobicContact CB-CB 4.29Å; D147-V184 HydrophobicContact CB-CG2 3.97Å; N182-V184 WeakPolarHBondContact OD1-CG2 2.99Å; V184-S186 PolarHBondContact O-N 2.92Å; V184-D205 WeakPolarHBondContact CA-O 3.4Å; V184-D205 HydrophobicContact CB-CB 4.16Å; V184-D205 WeakPolarHBondContact CB-O 3.49Å; V184-D205 PolarHBondContact N-O 3.08Å; V184-D205 PolarHBondContact O-N 2.85Å; V184-D205 VanDerWaalsContact O-N 3.14Å
185F96.5Very high91.6Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-95.776.4179.2-48.4-52.3000109.8F78 K79 I83 A114 P146 L183 E187 I204F78-F185 HydrophobicContact CE2-CB 3.87Å; F78-F185 HydrophobicContact CZ-CB 3.74Å; K79-F185 HydrophobicContact CB-CD1 4.44Å; K79-F185 HydrophobicContact CB-CE1 4.36Å; K79-F185 HydrophobicContact CD-CD1 4.5Å; K79-F185 HydrophobicContact CD-CD2 4.25Å; K79-F185 HydrophobicContact CD-CG 4.18Å; K79-F185 HydrophobicContact CG-CB 4.19Å; K79-F185 HydrophobicContact CG-CD1 3.49Å; K79-F185 VanDerWaalsContact CG-CD1 3.49Å; K79-F185 HydrophobicContact CG-CD2 4.04Å; K79-F185 HydrophobicContact CG-CE1 3.78Å; K79-F185 HydrophobicContact CG-CE2 4.29Å; K79-F185 HydrophobicContact CG-CG 3.63Å; K79-F185 HydrophobicContact CG-CZ 4.18Å; I83-F185 HydrophobicContact CD1-CE1 4.47Å; I83-F185 HydrophobicContact CD1-CZ 3.88Å; I83-F185 HydrophobicContact CG1-CE1 4.32Å; I83-F185 HydrophobicContact CG1-CZ 3.98Å; A114-F185 HydrophobicContact CB-CD2 4.42Å; A114-F185 HydrophobicContact CB-CE2 3.67Å; A114-F185 HydrophobicContact CB-CZ 4.26Å; P146-F185 HydrophobicContact CG-CB 4.33Å; P146-F185 HydrophobicContact CG-CD2 4.48Å; P146-F185 WeakPolarHBondContact O-CA 3.23Å; P146-F185 VanDerWaalsContact O-CB 3.29Å; P146-F185 WeakPolarHBondContact O-CB 3.39Å; P146-F185 WeakPolarHBondContact O-CD2 3.4Å; P146-F185 PolarHBondContact O-N 3.49Å; L183-F185 HydrophobicContact CB-CE1 4.04Å; L183-F185 HydrophobicContact CB-CZ 4.07Å; F185-E187 PolarHBondContact O-N 3.5Å; F185-I204 HydrophobicContact CD1-CD1 3.65Å; F185-I204 HydrophobicContact CE1-CD1 4.25Å
186S91.8Very high91.6Very high3 Ų341.8 Ų41.82%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-68.4100.9-175.9-174.20000111.4P143 S144 V184 L199 N203P143-S186 VanDerWaalsContact CB-OG 3.31Å; P143-S186 WeakPolarHBondContact CB-OG 3.44Å; S144-S186 WeakPolarHBondContact O-CA 3.32Å; V184-S186 PolarHBondContact O-N 2.92Å; S186-L199 WeakPolarHBondContact OG-CD1 3.5Å; S186-N203 PolarHBondContact N-O 2.93Å; S186-N203 PolarHBondContact O-N 3.06Å
187E91.4Very high91.3Very high33 Ų3345.1 Ų45.115%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-126.9-9.1-177.667-173.7172.600114.1F78 K79 S144 P146 F185 L199 Q202F78-E187 HydrophobicContact CZ-CB 4.16Å; K79-E187 IonicContact NZ-OE1 2.87Å; S144-E187 PolarHBondContact O-N 3.48Å; S144-E187 VanDerWaalsContact O-N 3.1Å; P146-E187 WeakPolarHBondContact CD-OE1 3.48Å; P146-E187 WeakPolarHBondContact CG-OE1 3.26Å; F185-E187 PolarHBondContact O-N 3.5Å; E187-L199 PolarHBondContact O-N 3.48Å; E187-Q202 HydrophobicContact CB-CG 3.89Å; E187-Q202 PolarHBondContact OE2-NE2 2.92Å
188F91.5Very high91Very high59 Ų5949.1 Ų49.126%0.25926%0.256SS..EExtended strand (participates in β ladder)trans-121.8154.8177.5-54.4-62.9000112.2F136 P143 S144 Y196 E197 L199F136-F188 HydrophobicContact CE2-CD2 4.18Å; F136-F188 HydrophobicContact CE2-CE2 4.28Å; F136-F188 AromaticContact CZ-CD2 4Å; F136-F188 HydrophobicContact CZ-CD2 4Å; P143-F188 CarbonylContact C-O 3.56Å; P143-F188 WeakPolarHBondContact CA-O 3.21Å; S144-F188 PolarHBondContact N-O 3.43Å; S144-F188 PolarHBondContact O-N 3.35Å; S144-F188 PolarHBondContact OG-O 3.07Å; F188-Y196 HydrophobicContact CB-CD1 4.28Å; F188-E197 CarbonylContact C-O 3.52Å; F188-E197 VanDerWaalsContact CA-O 3.3Å; F188-E197 WeakPolarHBondContact CA-O 3.4Å; F188-L199 WeakPolarHBondContact O-CD1 3.29Å; F188-L199 WeakPolarHBondContact O-CG 3.35Å
189N85.4Confident90.4Very high57 Ų5750 Ų5031%0.30526%0.26SS..EExtended strand (participates in β ladder)trans-112112.8168.8-174.644.3000107.7G142 T191 E197 L199G142-N189 WeakPolarHBondContact CA-OD1 3.46Å; G142-N189 CarbonylContact O-C 3.43Å; G142-N189 WeakPolarHBondContact O-CA 3.4Å; G142-N189 PolarHBondContact O-OD1 2.9Å; N189-T191 PolarHBondContact O-N 3.44Å; N189-E197 PolarHBondContact N-O 3.23Å; N189-E197 PolarHBondContact O-N 3.49Å; N189-L199 HydrophobicContact CB-CD2 3.81Å; N189-L199 HydrophobicContact CB-CG 4.3Å
190H85.6Confident89.6Confident19 Ų1953 Ų539%0.08828%0.284CS..EExtended strand (participates in β ladder)trans-71.1120170.8-177.1175.3000108.4D138 G140 A141 G142 D194 T195 Y196D138-H190 IonicContact OD1-CE1 3.89Å; D138-H190 IonicContact OD1-CG 3.79Å; D138-H190 IonicContact OD1-ND1 3.46Å; D138-H190 PolarHBondContact OD1-ND1 3.31Å; D138-H190 IonicContact OD2-CE1 3.8Å; D138-H190 PolarHBondContact OD2-CE1 3.26Å; D138-H190 IonicContact OD2-CG 2.87Å; D138-H190 IonicContact OD2-ND1 3.25Å; D138-H190 PolarHBondContact OD2-ND1 3.39Å; G140-H190 WeakPolarHBondContact O-CB 3.4Å; G140-H190 PolarHBondContact O-ND1 2.96Å; A141-H190 CarbonylContact C-O 3.52Å; A141-H190 WeakPolarHBondContact CA-O 3.49Å; G142-H190 PolarHBondContact N-O 2.73Å; G142-H190 PolarHBondContact O-N 2.71Å; H190-D194 IonicContact CE1-OD1 2.72Å; H190-D194 PolarHBondContact CE1-OD1 3.43Å; H190-D194 WeakPolarHBondContact NE2-CA 3.3Å; H190-D194 IonicContact NE2-OD1 3.44Å; H190-D194 PolarHBondContact NE2-OD1 2.96Å; H190-D194 VanDerWaalsContact NE2-OD1 3.08Å; H190-T195 WeakPolarHBondContact CA-O 3.27Å; H190-Y196 HydrophobicContact CB-CD1 4.1Å; H190-Y196 HydrophobicContact CB-CE1 3.87Å; H190-Y196 AromaticContact CG-CE1 3.94Å
191T83.1Confident89Confident10 Ų1059.1 Ų59.16%0.06131%0.312CS..  trans-85.7159.4177.975.60000111.9N189 Q193 D194 T195 E197N189-T191 PolarHBondContact O-N 3.44Å; T191-Q193 PolarHBondContact O-N 3.27Å; T191-Q193 PolarHBondContact OG1-N 2.98Å; T191-D194 PolarHBondContact O-N 3.16Å; T191-T195 WeakPolarHBondContact CG2-O 3.43Å; T191-T195 WeakPolarHBondContact CG2-OG1 3.21Å; T191-T195 PolarHBondContact N-O 2.94Å; T191-T195 PolarHBondContact OG1-N 3.29Å; T191-T195 PolarHBondContact OG1-O 3.42Å; T191-T195 PolarHBondContact OG1-OG1 2.9Å; T191-E197 HydrophobicContact CG2-CG 3.98Å
192P79.9Confident88.7Confident111 Ų11162.9 Ų62.972%0.72133%0.331SS*.THydrogen-bonded Turntrans-59.5-8.8171.1-23.734.4000115.1A141A141-P192 HydrophobicContact CB-CG 4.26Å
193Q85.9Confident88.5Confident144 Ų14462.3 Ų62.367%0.67333%0.328SS*.THydrogen-bonded Turntrans-9610176.3-68.572.939.300112.8T191T191-Q193 PolarHBondContact O-N 3.27Å; T191-Q193 PolarHBondContact OG1-N 2.98Å
194D86.4Confident88.3Confident121 Ų12162.2 Ų62.265%0.64733%0.327SS*.SBendtrans65.740178.9-151.335.3000112.2H190 T191H190-D194 IonicContact CE1-OD1 2.72Å; H190-D194 PolarHBondContact CE1-OD1 3.43Å; H190-D194 WeakPolarHBondContact NE2-CA 3.3Å; H190-D194 IonicContact NE2-OD1 3.44Å; H190-D194 PolarHBondContact NE2-OD1 2.96Å; H190-D194 VanDerWaalsContact NE2-OD1 3.08Å; T191-D194 PolarHBondContact O-N 3.16Å
195T90.7Very high88.2Confident63 Ų6362.5 Ų62.539%0.38733%0.328SS..  trans-123.4147.5175.668.20000111.4H190 T191H190-T195 WeakPolarHBondContact CA-O 3.27Å; T191-T195 WeakPolarHBondContact CG2-O 3.43Å; T191-T195 WeakPolarHBondContact CG2-OG1 3.21Å; T191-T195 PolarHBondContact N-O 2.94Å; T191-T195 PolarHBondContact OG1-N 3.29Å; T191-T195 PolarHBondContact OG1-O 3.42Å; T191-T195 PolarHBondContact OG1-OG1 2.9Å
196Y91Very high88.2Confident100 Ų10062.5 Ų62.539%0.39233%0.329SS..EExtended strand (participates in β ladder)trans-103.8108.3178.6-60.5-85.7000110.6F136 D138 F188 H190F136-Y196 HydrophobicContact CE1-CD1 4.18Å; F136-Y196 AromaticContact CE1-CE1 3.67Å; F136-Y196 HydrophobicContact CE1-CE1 3.67Å; F136-Y196 HydrophobicContact CZ-CD1 4.11Å; F136-Y196 HydrophobicContact CZ-CE1 4.06Å; D138-Y196 VanDerWaalsContact OD2-CE1 3.26Å; D138-Y196 WeakPolarHBondContact OD2-CE1 3.33Å; D138-Y196 VanDerWaalsContact OD2-CZ 3.29Å; D138-Y196 PolarHBondContact OD2-OH 3.46Å; F188-Y196 HydrophobicContact CB-CD1 4.28Å; H190-Y196 HydrophobicContact CB-CD1 4.1Å; H190-Y196 HydrophobicContact CB-CE1 3.87Å; H190-Y196 AromaticContact CG-CE1 3.94Å
197E89.1Confident88.3Confident112 Ų11263 Ų6352%0.52333%0.334SS..EExtended strand (participates in β ladder)trans-100.2143.3175.6-64.4-173.3164.200110.4F188 N189 T191 L199F188-E197 CarbonylContact C-O 3.52Å; F188-E197 VanDerWaalsContact CA-O 3.3Å; F188-E197 WeakPolarHBondContact CA-O 3.4Å; N189-E197 PolarHBondContact N-O 3.23Å; N189-E197 PolarHBondContact O-N 3.49Å; T191-E197 HydrophobicContact CG2-CG 3.98Å; E197-L199 PolarHBondContact O-N 3.02Å
198P87.9Confident88.6Confident107 Ų10762.1 Ų62.170%0.69533%0.33SS*.EExtended strand (participates in β ladder)trans-58.9135.7176.8-24.234.2000112.5
199L82.6Confident88.7Confident23 Ų2360.1 Ų60.112%0.1233%0.327CS..EExtended strand (participates in β ladder)trans-66.7152.1172.6-77.3165.7000111.1P143 S186 E187 F188 N189 E197 H201P143-L199 HydrophobicContact CB-CD1 4.17Å; S186-L199 WeakPolarHBondContact OG-CD1 3.5Å; E187-L199 PolarHBondContact O-N 3.48Å; F188-L199 WeakPolarHBondContact O-CD1 3.29Å; F188-L199 WeakPolarHBondContact O-CG 3.35Å; N189-L199 HydrophobicContact CB-CD2 3.81Å; N189-L199 HydrophobicContact CB-CG 4.3Å; E197-L199 PolarHBondContact O-N 3.02Å; L199-H201 VanDerWaalsContact CB-O 3.29Å; L199-H201 WeakPolarHBondContact CB-O 3.33Å; L199-H201 PolarHBondContact O-N 2.99Å
200P78.3Confident89.2Confident114 Ų11459.7 Ų59.774%0.7432%0.324SS*.EExtended strand (participates in β ladder)trans-56.7-32.1174.7-25.134.1000113.6
201H82.8Confident89.7Confident128 Ų12858.9 Ų58.959%0.59332%0.32SS*.EExtended strand (participates in β ladder)trans-140.3143174.7-59.8-66.5000109L199 N203L199-H201 VanDerWaalsContact CB-O 3.29Å; L199-H201 WeakPolarHBondContact CB-O 3.33Å; L199-H201 PolarHBondContact O-N 2.99Å; H201-N203 PolarHBondContact O-ND2 3.34Å
202Q90.6Very high90.3Very high94 Ų9460.7 Ų60.744%0.43933%0.326SS..EExtended strand (participates in β ladder)trans-73.7136.9169.8-74.2176.3-49.400109.5G75 F78 E187G75-Q202 WeakPolarHBondContact CA-O 3.19Å; G75-Q202 PolarHBondContact N-O 2.92Å; F78-Q202 HydrophobicContact CD1-CB 4.34Å; F78-Q202 HydrophobicContact CD2-CB 3.74Å; F78-Q202 HydrophobicContact CE1-CB 4.31Å; F78-Q202 VanDerWaalsContact CE1-CD 3.47Å; F78-Q202 HydrophobicContact CE1-CG 4.22Å; F78-Q202 HydrophobicContact CE2-CB 3.72Å; F78-Q202 HydrophobicContact CE2-CG 4.25Å; F78-Q202 HydrophobicContact CG-CB 4.07Å; F78-Q202 HydrophobicContact CZ-CB 4Å; F78-Q202 HydrophobicContact CZ-CG 4.03Å; E187-Q202 HydrophobicContact CB-CG 3.89Å; E187-Q202 PolarHBondContact OE2-NE2 2.92Å
203N92.8Very high91Very high5 Ų555.8 Ų55.83%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-127.5158.8-174.6-57.7-51.8000110.5F30 S73 I74 G75 F78 S186 H201F30-N203 HydrophobicContact CD1-CB 3.69Å; F30-N203 HydrophobicContact CE1-CB 3.42Å; F30-N203 VanDerWaalsContact CE1-CB 3.42Å; F30-N203 HydrophobicContact CZ-CB 4.34Å; S73-N203 CarbonylContact O-C 3.59Å; S73-N203 WeakPolarHBondContact O-CA 3.34Å; S73-N203 WeakPolarHBondContact O-CB 3.32Å; S73-N203 PolarHBondContact O-OD1 3.46Å; I74-N203 WeakPolarHBondContact CA-OD1 3.18Å; G75-N203 PolarHBondContact N-OD1 3.1Å; F78-N203 WeakPolarHBondContact CE2-O 3.42Å; S186-N203 PolarHBondContact N-O 2.93Å; S186-N203 PolarHBondContact O-N 3.06Å; H201-N203 PolarHBondContact O-ND2 3.34Å
204I95.5Very high91.5Very high0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-112.5133.6170.1-63.3-65000108F30 F72 S73 Y77 F78 A82 F185 T206F30-I204 WeakPolarHBondContact CZ-O 3.42Å; F72-I204 CarbonylContact C-O 3.57Å; F72-I204 WeakPolarHBondContact CA-O 3.23Å; S73-I204 PolarHBondContact N-O 3.1Å; S73-I204 PolarHBondContact O-N 3.28Å; Y77-I204 HydrophobicContact CD2-CG1 4.05Å; Y77-I204 HydrophobicContact CE2-CB 4.03Å; Y77-I204 HydrophobicContact CE2-CG1 3.93Å; Y77-I204 HydrophobicContact CE2-CG2 4.1Å; F78-I204 HydrophobicContact CD2-CD1 3.58Å; F78-I204 HydrophobicContact CD2-CG1 4.1Å; F78-I204 HydrophobicContact CE2-CD1 4.06Å; F78-I204 HydrophobicContact CG-CD1 4.36Å; A82-I204 HydrophobicContact CB-CD1 3.8Å; A82-I204 HydrophobicContact CB-CG1 4.02Å; A82-I204 HydrophobicContact CB-CG2 4.08Å; F185-I204 HydrophobicContact CD1-CD1 3.65Å; F185-I204 HydrophobicContact CE1-CD1 4.25Å; I204-T206 HydrophobicContact CG2-CG2 3.62Å
205D93.7Very high92Very high9 Ų944.2 Ų44.25%0.04824%0.237CC..EExtended strand (participates in β ladder)trans-126.3132.9166171.130.2000107.1V23 F30 F72 V184V23-D205 WeakPolarHBondContact CB-OD2 3.5Å; V23-D205 WeakPolarHBondContact CG1-OD2 3.42Å; V23-D205 HydrophobicContact CG2-CB 4.5Å; F30-D205 HydrophobicContact CE1-CB 4.14Å; F30-D205 HydrophobicContact CZ-CB 3.88Å; F72-D205 HydrophobicContact CD1-CB 4.31Å; F72-D205 WeakPolarHBondContact CD1-OD1 3.36Å; F72-D205 WeakPolarHBondContact CE1-OD1 3.43Å; V184-D205 WeakPolarHBondContact CA-O 3.4Å; V184-D205 HydrophobicContact CB-CB 4.16Å; V184-D205 WeakPolarHBondContact CB-O 3.49Å; V184-D205 PolarHBondContact N-O 3.08Å; V184-D205 PolarHBondContact O-N 2.85Å; V184-D205 VanDerWaalsContact O-N 3.14Å
206T95.7Very high92.3Very high1 Ų141.8 Ų41.81%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-130.7148.9175.580.20000110.9G70 N71 W181 N182 L183 I204G70-T206 WeakPolarHBondContact CA-O 3.27Å; N71-T206 PolarHBondContact N-OG1 3.32Å; N71-T206 PolarHBondContact O-N 3.46Å; N71-T206 PolarHBondContact O-OG1 3.01Å; N71-T206 WeakPolarHBondContact OD1-CG2 3.45Å; N71-T206 PolarHBondContact OD1-OG1 3.31Å; W181-T206 VanDerWaalsContact NE1-CB 3.29Å; W181-T206 PolarHBondContact NE1-OG1 3.02Å; N182-T206 VanDerWaalsContact O-CA 3.27Å; N182-T206 WeakPolarHBondContact O-CA 3.45Å; L183-T206 HydrophobicContact CD2-CG2 3.73Å; I204-T206 HydrophobicContact CG2-CG2 3.62Å
207G95.2Very high92.5Very high14 Ų1441.7 Ų41.714%0.14423%0.227CC..EExtended strand (participates in β ladder)trans-135.7109.8176.600000111.4N182N182-G207 PolarHBondContact N-O 3.47Å; N182-G207 PolarHBondContact O-N 3.01Å
208M96.2Very high92.8Very high13 Ų1340.1 Ų40.16%0.06422%0.219CC..EExtended strand (participates in β ladder)trans-113.5129173.3171.9167.77200110.2L69 F89 I180 W181 L210 M213L69-M208 HydrophobicContact CB-CB 4.19Å; L69-M208 HydrophobicContact CB-CE 4.11Å; L69-M208 WeakPolarHBondContact CB-O 3.4Å; L69-M208 HydrophobicContact CD1-CE 3.59Å; L69-M208 HydrophobicContact CD1-CG 4.42Å; L69-M208 PolarHBondContact N-O 2.99Å; L69-M208 PolarHBondContact O-N 3.07Å; F89-M208 HydrophobicContact CD1-CE 4.43Å; F89-M208 HydrophobicContact CE1-CE 3.7Å; F89-M208 HydrophobicContact CE1-SD 4.35Å; F89-M208 HydrophobicContact CZ-CE 4.44Å; I180-M208 VanDerWaalsContact O-CA 3.3Å; I180-M208 WeakPolarHBondContact O-CA 3.29Å; I180-M208 VanDerWaalsContact O-CG 3.28Å; I180-M208 WeakPolarHBondContact O-CG 3.27Å; W181-M208 HydrophobicContact CB-CB 4.23Å; W181-M208 HydrophobicContact CD2-CB 4.13Å; W181-M208 HydrophobicContact CD2-SD 4.05Å; W181-M208 HydrophobicContact CE3-SD 4.01Å; W181-M208 HydrophobicContact CG-CB 3.77Å; W181-M208 HydrophobicContact CG-CG 4.38Å; W181-M208 HydrophobicContact CG-SD 4.4Å; W181-M208 HydrophobicContact CZ3-SD 4.44Å; M208-L210 PolarHBondContact O-N 3.47Å; M208-M213 HydrophobicContact CG-CG 3.69Å; M208-M213 HydrophobicContact CG-SD 4.39Å; M208-M213 HydrophobicContact SD-CE 4.14Å; M208-M213 HydrophobicContact SD-CG 3.72Å; M208-M213 HydrophobicContact SD-SD 3.88Å
209G94.3Very high93.2Very high18 Ų1840.8 Ų40.819%0.18622%0.217CC..EExtended strand (participates in β ladder)trans-81.3115.6-179.100000112I180 E211 R212 M213I180-G209 PolarHBondContact O-N 3.21Å; G209-E211 PolarHBondContact O-N 3.13Å; G209-R212 PolarHBondContact O-N 3.29Å; G209-M213 PolarHBondContact O-N 2.91Å; G209-M213 VanDerWaalsContact O-N 3.07Å
210L95.8Very high93.8Very high47 Ų4739.9 Ų39.925%0.24621%0.213CC..Hα-helixtrans-58-47.2-179.8177.564.6000111.7E67 L69 M208 R212 M213 V214E67-L210 HydrophobicContact CB-CB 3.94Å; E67-L210 HydrophobicContact CB-CD2 3.89Å; E67-L210 HydrophobicContact CG-CD2 4.29Å; E67-L210 PolarHBondContact O-N 3.28Å; E67-L210 VanDerWaalsContact O-N 3.09Å; L69-L210 HydrophobicContact CD1-CB 4.22Å; L69-L210 HydrophobicContact CD1-CD1 4.03Å; L69-L210 HydrophobicContact CD2-CB 4.44Å; L69-L210 HydrophobicContact CG-CB 4.22Å; M208-L210 PolarHBondContact O-N 3.47Å; L210-R212 VanDerWaalsContact C-N 3.29Å; L210-R212 PolarHBondContact O-N 2.94Å; L210-M213 WeakPolarHBondContact O-CB 3.17Å; L210-M213 PolarHBondContact O-N 3.29Å; L210-V214 HydrophobicContact CD1-CG2 4Å; L210-V214 HydrophobicContact CG-CG2 4.25Å; L210-V214 VanDerWaalsContact O-CG2 3.27Å; L210-V214 WeakPolarHBondContact O-CG2 3.49Å; L210-V214 PolarHBondContact O-N 3.01Å
211E96.1Very high94.5Very high3 Ų338.1 Ų38.11%0.01420%0.201CC..Hα-helixtrans-61-39.5-177.7-69.877.2-178.200112F66 E67 G209 V214 S215 N223 L228 F229 R262F66-E211 WeakPolarHBondContact CA-OE1 3.41Å; F66-E211 WeakPolarHBondContact CB-OE2 3.44Å; E67-E211 PolarHBondContact N-OE1 3.27Å; E67-E211 PolarHBondContact N-OE2 3.17Å; G209-E211 PolarHBondContact O-N 3.13Å; E211-V214 PolarHBondContact O-N 2.88Å; E211-S215 WeakPolarHBondContact O-CB 3.35Å; E211-S215 PolarHBondContact O-N 3.04Å; E211-N223 HydrophobicContact CB-CB 4.23Å; E211-N223 PolarHBondContact O-OD1 3.31Å; E211-L228 HydrophobicContact CG-CD1 4.02Å; E211-F229 HydrophobicContact CG-CE2 3.88Å; E211-F229 HydrophobicContact CG-CZ 4.17Å; E211-R262 IonicContact OE1-CZ 2.8Å; E211-R262 VanDerWaalsContact OE1-CZ 3.25Å; E211-R262 IonicContact OE1-NH1 3.7Å; E211-R262 PolarHBondContact OE1-NH1 3.38Å; E211-R262 IonicContact OE1-NH2 3.45Å; E211-R262 PolarHBondContact OE1-NH2 2.98Å
212R95Very high95Very high48 Ų4832.9 Ų32.918%0.18118%0.179CC..Hα-helixtrans-65.9-47.5177.6-66.4-173.6-176.6173.8-1.3110.2L178 E179 G209 L210 V214 S215 I216L178-R212 HydrophobicContact CD1-CG 4.39Å; L178-R212 HydrophobicContact CD2-CB 3.91Å; L178-R212 HydrophobicContact CD2-CG 4.14Å; L178-R212 HydrophobicContact CG-CB 4.42Å; L178-R212 HydrophobicContact CG-CG 4.4Å; E179-R212 WeakPolarHBondContact O-CD 3.32Å; E179-R212 PolarHBondContact O-NH1 3.43Å; E179-R212 IonicContact OE1-NH1 3.05Å; E179-R212 IonicContact OE2-CZ 2.77Å; E179-R212 IonicContact OE2-NH1 3.47Å; E179-R212 PolarHBondContact OE2-NH1 3.36Å; E179-R212 IonicContact OE2-NH2 2.77Å; G209-R212 PolarHBondContact O-N 3.29Å; L210-R212 VanDerWaalsContact C-N 3.29Å; L210-R212 PolarHBondContact O-N 2.94Å; R212-V214 VanDerWaalsContact C-N 3.34Å; R212-V214 PolarHBondContact O-N 3.26Å; R212-S215 PolarHBondContact O-N 2.9Å; R212-S215 PolarHBondContact O-OG 2.84Å; R212-I216 PolarHBondContact O-N 3.29Å; R212-I216 VanDerWaalsContact O-N 3.13Å
213M96.3Very high95.2Very high8 Ų828.6 Ų28.64%0.03916%0.159CC..Hα-helixtrans-57.4-46.5175.7-75.5-62.7-68.500112L90 I96 F98 I180 M208 G209 L210 S215 I216 I217L90-M213 HydrophobicContact CD2-CE 3.86Å; L90-M213 HydrophobicContact CD2-SD 4.29Å; I96-M213 HydrophobicContact CD1-CE 4.31Å; I96-M213 HydrophobicContact CG1-CE 4.15Å; I96-M213 HydrophobicContact CG2-CE 4.27Å; F98-M213 HydrophobicContact CE2-CE 3.77Å; F98-M213 HydrophobicContact CE2-SD 4.13Å; F98-M213 HydrophobicContact CZ-CE 4.06Å; I180-M213 HydrophobicContact CB-SD 3.97Å; I180-M213 HydrophobicContact CD1-SD 4.08Å; I180-M213 HydrophobicContact CG2-SD 4.16Å; M208-M213 HydrophobicContact CG-CG 3.69Å; M208-M213 HydrophobicContact CG-SD 4.39Å; M208-M213 HydrophobicContact SD-CE 4.14Å; M208-M213 HydrophobicContact SD-CG 3.72Å; M208-M213 HydrophobicContact SD-SD 3.88Å; G209-M213 PolarHBondContact O-N 2.91Å; G209-M213 VanDerWaalsContact O-N 3.07Å; L210-M213 WeakPolarHBondContact O-CB 3.17Å; L210-M213 PolarHBondContact O-N 3.29Å; M213-S215 VanDerWaalsContact C-N 3.33Å; M213-S215 PolarHBondContact O-N 3.26Å; M213-I216 PolarHBondContact O-N 3.13Å; M213-I217 HydrophobicContact CE-CD1 4.48Å; M213-I217 VanDerWaalsContact O-CG1 3.27Å; M213-I217 WeakPolarHBondContact O-CG1 3.3Å; M213-I217 PolarHBondContact O-N 3.49Å
214V96.1Very high95.4Very high21 Ų2128.3 Ų28.313%0.12716%0.157CC..Hα-helixtrans-63-40.9178.4176.50000111L210 E211 R212 I216 I217 Q218 T226 L228L210-V214 HydrophobicContact CD1-CG2 4Å; L210-V214 HydrophobicContact CG-CG2 4.25Å; L210-V214 VanDerWaalsContact O-CG2 3.27Å; L210-V214 WeakPolarHBondContact O-CG2 3.49Å; L210-V214 PolarHBondContact O-N 3.01Å; E211-V214 PolarHBondContact O-N 2.88Å; R212-V214 VanDerWaalsContact C-N 3.34Å; R212-V214 PolarHBondContact O-N 3.26Å; V214-I216 VanDerWaalsContact C-N 3.29Å; V214-I216 PolarHBondContact O-N 3.45Å; V214-I217 PolarHBondContact O-N 2.97Å; V214-Q218 HydrophobicContact CG1-CG 4.24Å; V214-Q218 WeakPolarHBondContact O-CB 3.49Å; V214-Q218 WeakPolarHBondContact O-CG 3.35Å; V214-Q218 PolarHBondContact O-N 2.9Å; V214-T226 HydrophobicContact CB-CG2 4.46Å; V214-T226 HydrophobicContact CG1-CG2 3.82Å; V214-L228 HydrophobicContact CB-CD1 4.4Å; V214-L228 HydrophobicContact CG1-CD1 4.49Å; V214-L228 HydrophobicContact CG2-CD1 4.2Å
215S96.3Very high95.5Very high0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-61.2-36.9177.780.70000112.9E211 R212 M213 D219 A220 N223E211-S215 WeakPolarHBondContact O-CB 3.35Å; E211-S215 PolarHBondContact O-N 3.04Å; R212-S215 PolarHBondContact O-N 2.9Å; R212-S215 PolarHBondContact O-OG 2.84Å; M213-S215 VanDerWaalsContact C-N 3.33Å; M213-S215 PolarHBondContact O-N 3.26Å; S215-D219 PolarHBondContact O-N 2.84Å; S215-D219 VanDerWaalsContact O-N 3.14Å; S215-A220 PolarHBondContact O-N 3.05Å; S215-N223 WeakPolarHBondContact CB-OD1 3.27Å; S215-N223 PolarHBondContact OG-OD1 3.42Å
216I96.1Very high95.7Very high13 Ų1329.5 Ų29.57%0.06716%0.163CC..Hα-helixtrans-73.1-48.2177.2-67.4161.3000110.4F98 Y152 L178 I180 R212 M213 V214 Q218 D219F98-I216 HydrophobicContact CE1-CG2 3.79Å; F98-I216 HydrophobicContact CE2-CG2 4.19Å; F98-I216 HydrophobicContact CZ-CB 4.2Å; F98-I216 HydrophobicContact CZ-CG2 3.48Å; F98-I216 VanDerWaalsContact CZ-CG2 3.48Å; Y152-I216 HydrophobicContact CD1-CD1 4.15Å; Y152-I216 HydrophobicContact CD1-CG1 4.21Å; Y152-I216 HydrophobicContact CD1-CG2 3.8Å; Y152-I216 HydrophobicContact CD2-CG2 4.09Å; Y152-I216 HydrophobicContact CE1-CG2 3.65Å; Y152-I216 HydrophobicContact CE2-CG2 3.95Å; Y152-I216 HydrophobicContact CG-CD1 3.95Å; Y152-I216 HydrophobicContact CG-CG1 4.47Å; Y152-I216 HydrophobicContact CG-CG2 4.02Å; L178-I216 HydrophobicContact CD2-CD1 4.07Å; L178-I216 HydrophobicContact CD2-CG1 4.26Å; I180-I216 HydrophobicContact CG2-CD1 3.22Å; R212-I216 PolarHBondContact O-N 3.29Å; R212-I216 VanDerWaalsContact O-N 3.13Å; M213-I216 PolarHBondContact O-N 3.13Å; V214-I216 VanDerWaalsContact C-N 3.29Å; V214-I216 PolarHBondContact O-N 3.45Å; I216-Q218 PolarHBondContact O-N 3Å; I216-D219 PolarHBondContact O-N 3.3Å
217I96.1Very high95.7Very high97 Ų9733.9 Ų33.950%0.49719%0.186SC..Hα-helixtrans-60.4-36.7-178.6-69.3166.4000111.2I96 F98 M213 V214I96-I217 HydrophobicContact CD1-CD1 4.42Å; F98-I217 HydrophobicContact CE1-CG1 3.99Å; F98-I217 HydrophobicContact CZ-CG1 3.88Å; M213-I217 HydrophobicContact CE-CD1 4.48Å; M213-I217 VanDerWaalsContact O-CG1 3.27Å; M213-I217 WeakPolarHBondContact O-CG1 3.3Å; M213-I217 PolarHBondContact O-N 3.49Å; V214-I217 PolarHBondContact O-N 2.97Å
218Q96.5Very high95.7Very high79 Ų7934.2 Ų34.237%0.36918%0.184SC..THydrogen-bonded Turntrans-89.1-2.1179-63.7-17914.700113.6V214 I216 A220 T226 D227V214-Q218 HydrophobicContact CG1-CG 4.24Å; V214-Q218 WeakPolarHBondContact O-CB 3.49Å; V214-Q218 WeakPolarHBondContact O-CG 3.35Å; V214-Q218 PolarHBondContact O-N 2.9Å; I216-Q218 PolarHBondContact O-N 3Å; Q218-A220 HydrophobicContact CB-CB 4.39Å; Q218-A220 PolarHBondContact O-N 2.95Å; Q218-T226 VanDerWaalsContact OE1-CA 3.32Å; Q218-D227 PolarHBondContact NE2-OD1 3.33Å; Q218-D227 PolarHBondContact NE2-OD2 3.19Å
219D94.5Very high95.8Very high121 Ų12133.6 Ų33.665%0.64718%0.181SC*.THydrogen-bonded Turntrans51.438.2-173.1-163.932.4000112.4S215 I216S215-D219 PolarHBondContact O-N 2.84Å; S215-D219 VanDerWaalsContact O-N 3.14Å; I216-D219 PolarHBondContact O-N 3.3Å
220A95.6Very high95.9Very high5 Ų536.2 Ų36.24%0.04119%0.19CC..  trans-83.4136.2-174.300000110.9R154 S215 Q218 T222 E225 T226R154-A220 PolarHBondContact NH2-O 2.91Å; S215-A220 PolarHBondContact O-N 3.05Å; Q218-A220 HydrophobicContact CB-CB 4.39Å; Q218-A220 PolarHBondContact O-N 2.95Å; A220-T222 VanDerWaalsContact C-N 3.29Å; A220-T222 PolarHBondContact O-N 2.78Å; A220-T222 VanDerWaalsContact O-N 3.17Å; A220-E225 HydrophobicContact CB-CB 4.14Å; A220-E225 WeakPolarHBondContact CB-O 3.47Å; A220-T226 HydrophobicContact CB-CG2 3.9Å
221P92.7Very high96Very high76 Ų7636.9 Ų36.949%0.49420%0.198SC..SBendtrans-54.4-42.6-173.712.6-25000114R154 E225R154-P221 PolarHBondContact NH1-O 2.9Å; P221-E225 HydrophobicContact CG-CB 3.97Å; P221-E225 HydrophobicContact CG-CG 3.78Å; P221-E225 WeakPolarHBondContact CG-OE2 3.34Å
222T94.1Very high96.1Very high19 Ų1936.8 Ų36.812%0.11720%0.197CC..SBendtrans-133.9178.117377.60000110.7A60 A220 F224 E225A60-T222 HydrophobicContact CB-CG2 3.63Å; A60-T222 WeakPolarHBondContact O-CB 3.45Å; A220-T222 VanDerWaalsContact C-N 3.29Å; A220-T222 PolarHBondContact O-N 2.78Å; A220-T222 VanDerWaalsContact O-N 3.17Å; T222-F224 PolarHBondContact O-N 2.64Å; T222-F224 VanDerWaalsContact O-N 3.12Å; T222-F224 PolarHBondContact OG1-N 2.76Å; T222-E225 WeakPolarHBondContact CA-OE2 3.35Å; T222-E225 VanDerWaalsContact CB-OE2 3.29Å; T222-E225 WeakPolarHBondContact CB-OE2 3.3Å; T222-E225 PolarHBondContact N-OE2 3.34Å; T222-E225 PolarHBondContact O-N 3.07Å; T222-E225 PolarHBondContact OG1-OE2 3.27Å
223N95Very high96.3Very high3 Ų334.6 Ų34.62%0.01619%0.189CC..G310 helixtrans-60-22.4174.6-71.8-7.5000113.1A60 R61 H63 E211 S215 T226 F229A60-N223 PolarHBondContact O-N 3.11Å; A60-N223 VanDerWaalsContact O-N 3.09Å; R61-N223 WeakPolarHBondContact CA-ND2 3.27Å; R61-N223 PolarHBondContact O-ND2 3.31Å; H63-N223 WeakPolarHBondContact CE1-CB 3.38Å; H63-N223 WeakPolarHBondContact NE2-CB 3.49Å; H63-N223 PolarHBondContact NE2-ND2 3.32Å; E211-N223 HydrophobicContact CB-CB 4.23Å; E211-N223 PolarHBondContact O-OD1 3.31Å; S215-N223 WeakPolarHBondContact CB-OD1 3.27Å; S215-N223 PolarHBondContact OG-OD1 3.42Å; N223-T226 WeakPolarHBondContact O-CG2 3.24Å; N223-T226 PolarHBondContact O-OG1 2.96Å; N223-F229 WeakPolarHBondContact O-CD2 3.44Å; N223-F229 WeakPolarHBondContact O-CE2 3.47Å
224F96.8Very high96.3Very high0 Ų035.3 Ų35.30%020%0.199CC..G310 helixtrans-81.8-19.8-175.4-62.5-83000114.3V56 H63 T222 T226 F229 I233 K255 D259V56-F224 HydrophobicContact CG1-CZ 4.36Å; H63-F224 AromaticContact CE1-CZ 3.86Å; H63-F224 AromaticContact ND1-CE1 3.99Å; H63-F224 AromaticContact ND1-CZ 3.71Å; T222-F224 PolarHBondContact O-N 2.64Å; T222-F224 VanDerWaalsContact O-N 3.12Å; T222-F224 PolarHBondContact OG1-N 2.76Å; F224-T226 PolarHBondContact O-N 3.02Å; F224-F229 HydrophobicContact CD1-CD1 4.1Å; F224-F229 HydrophobicContact CD1-CE1 4.34Å; F224-F229 HydrophobicContact CD1-CG 4.31Å; F224-F229 HydrophobicContact CE1-CD1 4.5Å; F224-F229 HydrophobicContact CE1-CE1 4.35Å; F224-F229 WeakPolarHBondContact O-CB 3.34Å; F224-I233 HydrophobicContact CB-CD1 4.39Å; F224-K255 HydrophobicContact CB-CD 4.28Å; F224-K255 HydrophobicContact CB-CG 3.89Å; F224-K255 HydrophobicContact CD1-CB 3.7Å; F224-K255 HydrophobicContact CD1-CD 4.49Å; F224-K255 HydrophobicContact CD1-CG 3.82Å; F224-K255 HydrophobicContact CD2-CB 4.29Å; F224-K255 HydrophobicContact CD2-CD 3.7Å; F224-K255 HydrophobicContact CD2-CG 3.93Å; F224-K255 HydrophobicContact CE1-CB 3.77Å; F224-K255 HydrophobicContact CE1-CG 4.33Å; F224-K255 HydrophobicContact CE2-CB 4.35Å; F224-K255 HydrophobicContact CE2-CD 4.15Å; F224-K255 HydrophobicContact CE2-CG 4.44Å; F224-K255 HydrophobicContact CG-CB 3.98Å; F224-K255 HydrophobicContact CG-CD 3.9Å; F224-K255 HydrophobicContact CG-CG 3.59Å; F224-K255 HydrophobicContact CZ-CB 4.12Å; F224-D259 HydrophobicContact CE1-CB 4.12Å
225E96.9Very high96.4Very high34 Ų3437.5 Ų37.516%0.15921%0.207CC..G310 helixtrans-91.533.8176.9-66.478.1-150.100112.3A220 P221 T222 L230 Y244A220-E225 HydrophobicContact CB-CB 4.14Å; A220-E225 WeakPolarHBondContact CB-O 3.47Å; P221-E225 HydrophobicContact CG-CB 3.97Å; P221-E225 HydrophobicContact CG-CG 3.78Å; P221-E225 WeakPolarHBondContact CG-OE2 3.34Å; T222-E225 WeakPolarHBondContact CA-OE2 3.35Å; T222-E225 VanDerWaalsContact CB-OE2 3.29Å; T222-E225 WeakPolarHBondContact CB-OE2 3.3Å; T222-E225 PolarHBondContact N-OE2 3.34Å; T222-E225 PolarHBondContact O-N 3.07Å; T222-E225 PolarHBondContact OG1-OE2 3.27Å; E225-L230 WeakPolarHBondContact O-CD1 3.38Å; E225-Y244 HydrophobicContact CG-CE1 4.15Å; E225-Y244 PolarHBondContact OE1-OH 2.9Å
226T97.6Very high96.5Very high0 Ų037.5 Ų37.50%021%0.207CC..SBendtrans-108.6164.8176.9630000111.2V214 Q218 A220 N223 F224 L228 F229 L230V214-T226 HydrophobicContact CB-CG2 4.46Å; V214-T226 HydrophobicContact CG1-CG2 3.82Å; Q218-T226 VanDerWaalsContact OE1-CA 3.32Å; A220-T226 HydrophobicContact CB-CG2 3.9Å; N223-T226 WeakPolarHBondContact O-CG2 3.24Å; N223-T226 PolarHBondContact O-OG1 2.96Å; F224-T226 PolarHBondContact O-N 3.02Å; T226-L228 PolarHBondContact O-N 2.78Å; T226-L228 VanDerWaalsContact O-N 3.14Å; T226-F229 PolarHBondContact O-N 3.11Å; T226-F229 VanDerWaalsContact O-N 3.09Å; T226-L230 VanDerWaalsContact O-CB 3.31Å; T226-L230 WeakPolarHBondContact O-CB 3.5Å; T226-L230 WeakPolarHBondContact O-CG 3.19Å; T226-L230 PolarHBondContact O-N 2.91Å
227D96Very high96.5Very high92 Ų9238.9 Ų38.949%0.49221%0.213SC..THydrogen-bonded Turntrans-60.8-15173.358.7-8.6000114.6Q218 P231Q218-D227 PolarHBondContact NE2-OD1 3.33Å; Q218-D227 PolarHBondContact NE2-OD2 3.19Å; D227-P231 VanDerWaalsContact O-CD 3.25Å; D227-P231 WeakPolarHBondContact O-CD 3.43Å; D227-P231 WeakPolarHBondContact O-CG 3.37Å
228L95.7Very high96.5Very high21 Ų2140.6 Ų40.611%0.1122%0.218CC..THydrogen-bonded Turntrans-71.5-27.2172.3-62.9176.3000113.4E211 V214 T226 I314 M315E211-L228 HydrophobicContact CG-CD1 4.02Å; V214-L228 HydrophobicContact CB-CD1 4.4Å; V214-L228 HydrophobicContact CG1-CD1 4.49Å; V214-L228 HydrophobicContact CG2-CD1 4.2Å; T226-L228 PolarHBondContact O-N 2.78Å; T226-L228 VanDerWaalsContact O-N 3.14Å; L228-I314 HydrophobicContact CD2-CG2 4.32Å; L228-M315 HydrophobicContact CD2-SD 4.48Å
229F97.5Very high96.5Very high0 Ų038.4 Ų38.40%021%0.209CC..THydrogen-bonded Turntrans-124.6-34.3-173-63.7-88.8000113.9H63 E211 N223 F224 T226 P231 I232 I233 A258 D259 R262H63-F229 AromaticContact CE1-CE2 3.92Å; H63-F229 AromaticContact CE1-CZ 3.52Å; H63-F229 AromaticContact ND1-CZ 3.77Å; E211-F229 HydrophobicContact CG-CE2 3.88Å; E211-F229 HydrophobicContact CG-CZ 4.17Å; N223-F229 WeakPolarHBondContact O-CD2 3.44Å; N223-F229 WeakPolarHBondContact O-CE2 3.47Å; F224-F229 HydrophobicContact CD1-CD1 4.1Å; F224-F229 HydrophobicContact CD1-CE1 4.34Å; F224-F229 HydrophobicContact CD1-CG 4.31Å; F224-F229 HydrophobicContact CE1-CD1 4.5Å; F224-F229 HydrophobicContact CE1-CE1 4.35Å; F224-F229 WeakPolarHBondContact O-CB 3.34Å; T226-F229 PolarHBondContact O-N 3.11Å; T226-F229 VanDerWaalsContact O-N 3.09Å; F229-P231 VanDerWaalsContact C-CD 3.42Å; F229-P231 VanDerWaalsContact C-N 3.33Å; F229-I232 WeakPolarHBondContact O-CA 3.34Å; F229-I232 WeakPolarHBondContact O-CB 3.43Å; F229-I232 PolarHBondContact O-N 2.9Å; F229-I233 HydrophobicContact CB-CD1 4.37Å; F229-I233 PolarHBondContact O-N 3.21Å; F229-A258 HydrophobicContact CD1-CB 4.17Å; F229-D259 HydrophobicContact CE1-CB 4.44Å; F229-R262 VanDerWaalsContact CZ-NH2 3.29Å
230L97.4Very high96.5Very high73 Ų7333.1 Ų33.138%0.38218%0.181SC..Hα-helixtrans-54.5-38.5-177-77.6176.6000114.2E225 T226 I232 I233 G234E225-L230 WeakPolarHBondContact O-CD1 3.38Å; T226-L230 VanDerWaalsContact O-CB 3.31Å; T226-L230 WeakPolarHBondContact O-CB 3.5Å; T226-L230 WeakPolarHBondContact O-CG 3.19Å; T226-L230 PolarHBondContact O-N 2.91Å; L230-I232 VanDerWaalsContact C-N 3.28Å; L230-I232 PolarHBondContact O-N 3.49Å; L230-I233 PolarHBondContact O-N 2.92Å; L230-G234 PolarHBondContact O-N 2.75Å
231P98.2Very high96.2Very high62 Ų6240.2 Ų40.240%0.40322%0.219SC..Hα-helixtrans-65-33176.3-19.431.6000112.7D227 F229 K235 V310 I314D227-P231 VanDerWaalsContact O-CD 3.25Å; D227-P231 WeakPolarHBondContact O-CD 3.43Å; D227-P231 WeakPolarHBondContact O-CG 3.37Å; F229-P231 VanDerWaalsContact C-CD 3.42Å; F229-P231 VanDerWaalsContact C-N 3.33Å; P231-K235 PolarHBondContact O-N 3.47Å; P231-K235 VanDerWaalsContact O-N 3.12Å; P231-V310 HydrophobicContact CB-CG1 4.02Å; P231-I314 HydrophobicContact CB-CD1 3.98Å; P231-I314 HydrophobicContact CB-CG1 4.34Å; P231-I314 HydrophobicContact CG-CD1 4Å; P231-I314 HydrophobicContact CG-CG1 4.2Å
232I98.2Very high96.3Very high1 Ų141 Ų411%0.00522%0.215CC..Hα-helixtrans-70-47.7175-53169.8000109.5F229 L230 G234 K235 V236 A258 I261 L307 V310 V311 I314F229-I232 WeakPolarHBondContact O-CA 3.34Å; F229-I232 WeakPolarHBondContact O-CB 3.43Å; F229-I232 PolarHBondContact O-N 2.9Å; L230-I232 VanDerWaalsContact C-N 3.28Å; L230-I232 PolarHBondContact O-N 3.49Å; I232-G234 VanDerWaalsContact C-N 3.35Å; I232-G234 PolarHBondContact O-N 3.23Å; I232-K235 WeakPolarHBondContact O-CB 3.4Å; I232-K235 PolarHBondContact O-N 2.93Å; I232-K235 VanDerWaalsContact O-N 3.07Å; I232-V236 WeakPolarHBondContact O-CG2 3.43Å; I232-V236 PolarHBondContact O-N 3.3Å; I232-A258 HydrophobicContact CB-CB 4.13Å; I232-A258 HydrophobicContact CG2-CB 3.96Å; I232-I261 HydrophobicContact CG2-CG2 3.84Å; I232-L307 HydrophobicContact CG2-CB 4.39Å; I232-L307 HydrophobicContact CG2-CD1 4.05Å; I232-L307 HydrophobicContact CG2-CD2 4.47Å; I232-V310 HydrophobicContact CG1-CG1 4.07Å; I232-V311 HydrophobicContact CD1-CG2 3.78Å; I232-V311 HydrophobicContact CG1-CG2 4.35Å; I232-I314 HydrophobicContact CD1-CD1 4.09Å; I232-I314 HydrophobicContact CG1-CD1 3.74Å
233I98.1Very high96.4Very high2 Ų246.4 Ų46.41%0.0124%0.237CC..Hα-helixtrans-57.4-47.9177.2-68171.6000110.7F224 F229 L230 K235 V236 E237 Y244 F254 A258F224-I233 HydrophobicContact CB-CD1 4.39Å; F229-I233 HydrophobicContact CB-CD1 4.37Å; F229-I233 PolarHBondContact O-N 3.21Å; L230-I233 PolarHBondContact O-N 2.92Å; I233-K235 PolarHBondContact O-N 3.36Å; I233-V236 WeakPolarHBondContact O-CA 3.47Å; I233-V236 WeakPolarHBondContact O-CB 3.26Å; I233-V236 PolarHBondContact O-N 3.17Å; I233-E237 PolarHBondContact O-N 3.44Å; I233-Y244 HydrophobicContact CD1-CE1 4.46Å; I233-Y244 HydrophobicContact CD1-CE2 4.3Å; I233-Y244 HydrophobicContact CG2-CD1 3.99Å; I233-Y244 HydrophobicContact CG2-CD2 3.73Å; I233-Y244 HydrophobicContact CG2-CE2 4.27Å; I233-Y244 HydrophobicContact CG2-CG 3.55Å; I233-F254 HydrophobicContact CG2-CB 4.25Å; I233-F254 HydrophobicContact CG2-CD1 4.14Å; I233-F254 HydrophobicContact CG2-CG 4.44Å; I233-A258 HydrophobicContact CG1-CB 3.92Å
234G97.5Very high96.5Very high23 Ų2348.4 Ų48.424%0.23724%0.244CC..Hα-helixtrans-58.6-37176.400000112.2L230 I232 E237 E238L230-G234 PolarHBondContact O-N 2.75Å; I232-G234 VanDerWaalsContact C-N 3.35Å; I232-G234 PolarHBondContact O-N 3.23Å; G234-E237 WeakPolarHBondContact O-CB 3.25Å; G234-E237 PolarHBondContact O-N 2.86Å; G234-E238 PolarHBondContact O-N 3.05Å
235K97.9Very high96.3Very high67 Ų6751.2 Ų51.229%0.29127%0.273SS..Hα-helixtrans-68.2-34.9174.4-169.759.5178.4176.50112.9P231 I232 I233 E238 L239 L307 V310P231-K235 PolarHBondContact O-N 3.47Å; P231-K235 VanDerWaalsContact O-N 3.12Å; I232-K235 WeakPolarHBondContact O-CB 3.4Å; I232-K235 PolarHBondContact O-N 2.93Å; I232-K235 VanDerWaalsContact O-N 3.07Å; I233-K235 PolarHBondContact O-N 3.36Å; K235-E238 WeakPolarHBondContact CD-OE2 3.42Å; K235-E238 IonicContact NZ-OE2 2.99Å; K235-E238 PolarHBondContact NZ-OE2 3.31Å; K235-E238 PolarHBondContact O-N 3.25Å; K235-L239 HydrophobicContact CG-CD1 4.38Å; K235-L239 WeakPolarHBondContact O-CD1 3.44Å; K235-L239 VanDerWaalsContact O-CG 3.31Å; K235-L239 WeakPolarHBondContact O-CG 3.23Å; K235-L239 PolarHBondContact O-N 3.5Å; K235-L307 HydrophobicContact CB-CD2 3.78Å; K235-L307 HydrophobicContact CG-CD2 3.51Å; K235-V310 HydrophobicContact CB-CG2 4.29Å; K235-V310 HydrophobicContact CG-CG2 4.1Å
236V97.9Very high96.2Very high0 Ų053.3 Ų53.30%030%0.296CS..Hα-helixtrans-69.6-35.4174.6179.40000111.2I232 I233 E238 L239 S240 F254 I257 L297 I299 L307I232-V236 WeakPolarHBondContact O-CG2 3.43Å; I232-V236 PolarHBondContact O-N 3.3Å; I233-V236 WeakPolarHBondContact O-CA 3.47Å; I233-V236 WeakPolarHBondContact O-CB 3.26Å; I233-V236 PolarHBondContact O-N 3.17Å; V236-E238 VanDerWaalsContact C-N 3.33Å; V236-E238 PolarHBondContact O-N 3.41Å; V236-L239 PolarHBondContact O-N 3.13Å; V236-L239 VanDerWaalsContact O-N 3.14Å; V236-S240 WeakPolarHBondContact O-CB 3.27Å; V236-S240 PolarHBondContact O-N 3.34Å; V236-S240 PolarHBondContact O-OG 2.87Å; V236-F254 HydrophobicContact CB-CD1 3.87Å; V236-F254 HydrophobicContact CB-CE1 4.06Å; V236-F254 HydrophobicContact CG1-CD1 3.57Å; V236-F254 HydrophobicContact CG1-CE1 3.66Å; V236-I257 HydrophobicContact CG1-CD1 3.94Å; V236-I257 HydrophobicContact CG2-CB 4.47Å; V236-I257 HydrophobicContact CG2-CG2 3.63Å; V236-L297 HydrophobicContact CG1-CD1 3.68Å; V236-I299 HydrophobicContact CG1-CD1 4.38Å; V236-L307 HydrophobicContact CG2-CD1 3.68Å; V236-L307 HydrophobicContact CG2-CD2 3.97Å; V236-L307 HydrophobicContact CG2-CG 4.5Å
237E97.2Very high96.1Very high42 Ų4257.1 Ų57.120%0.19632%0.317CS..Hα-helixtrans-60.1-43.3173.1-69.5-171102.900111.3I233 G234 L239 S240 D241 K243 Y244 F254I233-E237 PolarHBondContact O-N 3.44Å; G234-E237 WeakPolarHBondContact O-CB 3.25Å; G234-E237 PolarHBondContact O-N 2.86Å; E237-L239 PolarHBondContact O-N 2.71Å; E237-S240 PolarHBondContact O-N 3.47Å; E237-D241 PolarHBondContact O-N 3.39Å; E237-K243 VanDerWaalsContact OE1-CA 3.24Å; E237-K243 WeakPolarHBondContact OE1-CA 3.24Å; E237-K243 WeakPolarHBondContact OE1-CD 3.25Å; E237-Y244 PolarHBondContact OE1-N 2.92Å; E237-F254 HydrophobicContact CB-CE1 4.32Å; E237-F254 HydrophobicContact CG-CD1 4.4Å; E237-F254 HydrophobicContact CG-CE1 3.65Å; E237-F254 HydrophobicContact CG-CZ 4.03Å
238E95.9Very high95.8Very high132 Ų13261.6 Ų61.662%0.61733%0.332SS*.Hα-helixtrans-61-29175.8-69.5179.4-174.900113.2G234 K235 V236G234-E238 PolarHBondContact O-N 3.05Å; K235-E238 WeakPolarHBondContact CD-OE2 3.42Å; K235-E238 IonicContact NZ-OE2 2.99Å; K235-E238 PolarHBondContact NZ-OE2 3.31Å; K235-E238 PolarHBondContact O-N 3.25Å; V236-E238 VanDerWaalsContact C-N 3.33Å; V236-E238 PolarHBondContact O-N 3.41Å
239L96.3Very high95.6Very high34 Ų3465.4 Ų65.418%0.17835%0.349CS..Hα-helixtrans-91.6-22.9-175.5-67.9168.1000113.6K235 V236 E237 I299 F303 K306 L307K235-L239 HydrophobicContact CG-CD1 4.38Å; K235-L239 WeakPolarHBondContact O-CD1 3.44Å; K235-L239 VanDerWaalsContact O-CG 3.31Å; K235-L239 WeakPolarHBondContact O-CG 3.23Å; K235-L239 PolarHBondContact O-N 3.5Å; V236-L239 PolarHBondContact O-N 3.13Å; V236-L239 VanDerWaalsContact O-N 3.14Å; E237-L239 PolarHBondContact O-N 2.71Å; L239-I299 HydrophobicContact CB-CD1 4.1Å; L239-F303 HydrophobicContact CD1-CB 4.29Å; L239-F303 HydrophobicContact CD1-CD2 4.11Å; L239-K306 HydrophobicContact CD2-CD 4.25Å; L239-L307 HydrophobicContact CD1-CD2 4.13Å
240S94.3Very high95.5Very high9 Ų967.1 Ų67.16%0.06336%0.358CS..Hα-helixtrans-103.8-14.3-173.855.60000115.3V236 E237 K242V236-S240 WeakPolarHBondContact O-CB 3.27Å; V236-S240 PolarHBondContact O-N 3.34Å; V236-S240 PolarHBondContact O-OG 2.87Å; E237-S240 PolarHBondContact O-N 3.47Å; S240-K242 PolarHBondContact O-N 3.36Å; S240-K242 VanDerWaalsContact O-N 3.08Å; S240-K242 PolarHBondContact OG-N 2.99Å
241D88.4Confident95.4Very high155 Ų15564.7 Ų64.783%0.82935%0.345SS*.SBendtrans5714.2-166.7-63.6-43.7000113.9E237E237-D241 PolarHBondContact O-N 3.39Å
242K95.2Very high95.3Very high92 Ų9263.2 Ų63.240%0.433%0.334SS..  trans-100157.9172.6-59.9-60.4-177177.40110.1S240 L250 F254 L297S240-K242 PolarHBondContact O-N 3.36Å; S240-K242 VanDerWaalsContact O-N 3.08Å; S240-K242 PolarHBondContact OG-N 2.99Å; K242-L250 HydrophobicContact CD-CD1 4.16Å; K242-L250 HydrophobicContact CG-CD1 4.39Å; K242-F254 HydrophobicContact CB-CE2 4.21Å; K242-F254 HydrophobicContact CB-CZ 3.82Å; K242-L297 HydrophobicContact CB-CD2 4.2Å; K242-L297 HydrophobicContact CG-CB 4.49Å; K242-L297 HydrophobicContact CG-CD2 4.22Å; K242-L297 WeakPolarHBondContact CG-O 3.44Å
243K96.1Very high95.2Very high133 Ų13363.2 Ų63.258%0.57833%0.334SS*.  trans-113.5129.6-179.8-69-59.1-174.9-171.80111.6E237 A246E237-K243 VanDerWaalsContact OE1-CA 3.24Å; E237-K243 WeakPolarHBondContact OE1-CA 3.24Å; E237-K243 WeakPolarHBondContact OE1-CD 3.25Å; K243-A246 HydrophobicContact CB-CB 4.02Å; K243-A246 VanDerWaalsContact O-CB 3.29Å; K243-A246 WeakPolarHBondContact O-CB 3.17Å; K243-A246 PolarHBondContact O-N 2.9Å
244Y96.8Very high95.2Very high44 Ų4463.1 Ų63.117%0.17333%0.334CS..THydrogen-bonded Turntrans-67.3139172.9-170.7-109.1000110.1E225 I233 E237 A246 D251 F254 K255E225-Y244 HydrophobicContact CG-CE1 4.15Å; E225-Y244 PolarHBondContact OE1-OH 2.9Å; I233-Y244 HydrophobicContact CD1-CE1 4.46Å; I233-Y244 HydrophobicContact CD1-CE2 4.3Å; I233-Y244 HydrophobicContact CG2-CD1 3.99Å; I233-Y244 HydrophobicContact CG2-CD2 3.73Å; I233-Y244 HydrophobicContact CG2-CE2 4.27Å; I233-Y244 HydrophobicContact CG2-CG 3.55Å; E237-Y244 PolarHBondContact OE1-N 2.92Å; Y244-A246 PolarHBondContact O-N 2.75Å; Y244-D251 HydrophobicContact CD2-CB 4.24Å; Y244-D251 WeakPolarHBondContact CD2-OD1 3.41Å; Y244-D251 HydrophobicContact CE2-CB 3.78Å; Y244-F254 HydrophobicContact CD2-CB 3.49Å; Y244-F254 VanDerWaalsContact CD2-CB 3.49Å; Y244-F254 HydrophobicContact CD2-CD1 4.45Å; Y244-F254 AromaticContact CD2-CD2 3.72Å; Y244-F254 HydrophobicContact CD2-CD2 3.72Å; Y244-F254 AromaticContact CD2-CG 3.66Å; Y244-F254 HydrophobicContact CD2-CG 3.66Å; Y244-F254 HydrophobicContact CE2-CB 3.71Å; Y244-F254 HydrophobicContact CE2-CG 4.37Å; Y244-K255 HydrophobicContact CE2-CG 4.27Å; Y244-K255 WeakPolarHBondContact OH-CE 3.48Å
245G94.3Very high95.2Very high59 Ų5963.4 Ų63.461%0.60833%0.328SS*.THydrogen-bonded Turntrans78.2-2-174.500000114.7D251G245-D251 WeakPolarHBondContact CA-OD2 3.31Å; G245-D251 PolarHBondContact N-OD1 3.48Å
246A94.4Very high95.1Very high79 Ų7960.2 Ų60.265%0.65331%0.314SS*.SBendtrans-84.5-28.8178.700000113K243 Y244K243-A246 HydrophobicContact CB-CB 4.02Å; K243-A246 VanDerWaalsContact O-CB 3.29Å; K243-A246 WeakPolarHBondContact O-CB 3.17Å; K243-A246 PolarHBondContact O-N 2.9Å; Y244-A246 PolarHBondContact O-N 2.75Å
247D94.4Very high95.1Very high79 Ų7960.2 Ų60.242%0.42231%0.314SS..  trans-147.4115.9180-176.8-25.5000109.2Q249 L250 D251D247-Q249 PolarHBondContact O-N 3.47Å; D247-Q249 VanDerWaalsContact O-N 3.14Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.23Å; D247-Q249 PolarHBondContact OD1-N 3.06Å; D247-L250 HydrophobicContact CB-CB 4.1Å; D247-L250 HydrophobicContact CB-CD1 4.08Å; D247-L250 HydrophobicContact CB-CG 3.97Å; D247-L250 PolarHBondContact O-N 3.45Å; D247-D251 VanDerWaalsContact O-CG 3.24Å; D247-D251 PolarHBondContact O-N 3.29Å
248K91.1Very high95.2Very high186 Ų18658.2 Ų58.281%0.80931%0.305SS*.Hα-helixtrans-56.1-32.4-177.4-69.7-169174-1680113.3D251K248-D251 PolarHBondContact O-N 3.13Å
249Q90.6Very high95.3Very high102 Ų10252 Ų5248%0.47728%0.276SS..Hα-helixtrans-74.6-35179.1-168.363.321.900111.4D247D247-Q249 PolarHBondContact O-N 3.47Å; D247-Q249 VanDerWaalsContact O-N 3.14Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.23Å; D247-Q249 PolarHBondContact OD1-N 3.06Å
250L94.7Very high95.3Very high36 Ų3650.3 Ų50.319%0.18827%0.267CS..Hα-helixtrans-73.4-31.3173.9-61.7-174.6000111.5K242 D247 I252 S253 F254 L297K242-L250 HydrophobicContact CD-CD1 4.16Å; K242-L250 HydrophobicContact CG-CD1 4.39Å; D247-L250 HydrophobicContact CB-CB 4.1Å; D247-L250 HydrophobicContact CB-CD1 4.08Å; D247-L250 HydrophobicContact CB-CG 3.97Å; D247-L250 PolarHBondContact O-N 3.45Å; L250-I252 VanDerWaalsContact C-N 3.26Å; L250-I252 PolarHBondContact O-N 2.9Å; L250-S253 WeakPolarHBondContact O-CA 3.46Å; L250-S253 VanDerWaalsContact O-CB 3.24Å; L250-S253 WeakPolarHBondContact O-CB 3.12Å; L250-S253 PolarHBondContact O-N 3.07Å; L250-F254 HydrophobicContact CB-CE2 4.48Å; L250-F254 VanDerWaalsContact O-CD2 3.24Å; L250-F254 WeakPolarHBondContact O-CD2 3.26Å; L250-F254 PolarHBondContact O-N 3.38Å; L250-F254 VanDerWaalsContact O-N 3.16Å; L250-L297 HydrophobicContact CB-CD2 3.99Å; L250-L297 HydrophobicContact CD2-CD2 4.21Å; L250-L297 HydrophobicContact CG-CD2 4.48Å
251D96.4Very high95.5Very high21 Ų2149.9 Ų49.911%0.11226%0.264CS..Hα-helixtrans-57.8-38.5176.2-65.9-16.8000112Y244 G245 D247 K248 S253 F254 K255Y244-D251 HydrophobicContact CD2-CB 4.24Å; Y244-D251 WeakPolarHBondContact CD2-OD1 3.41Å; Y244-D251 HydrophobicContact CE2-CB 3.78Å; G245-D251 WeakPolarHBondContact CA-OD2 3.31Å; G245-D251 PolarHBondContact N-OD1 3.48Å; D247-D251 VanDerWaalsContact O-CG 3.24Å; D247-D251 PolarHBondContact O-N 3.29Å; K248-D251 PolarHBondContact O-N 3.13Å; D251-S253 PolarHBondContact O-N 3.39Å; D251-F254 PolarHBondContact O-N 3.19Å; D251-F254 VanDerWaalsContact O-N 3.16Å; D251-K255 VanDerWaalsContact O-CG 3.3Å; D251-K255 WeakPolarHBondContact O-CG 3.4Å; D251-K255 PolarHBondContact O-N 3.42Å
252I95.4Very high95.9Very high31 Ų3142.6 Ų42.616%0.15923%0.225CC..Hα-helixtrans-54.1-42.9172-60.5171.5000110.2K58 L250 K255 V256K58-I252 HydrophobicContact CG-CG2 4.39Å; L250-I252 VanDerWaalsContact C-N 3.26Å; L250-I252 PolarHBondContact O-N 2.9Å; I252-K255 PolarHBondContact O-N 3.21Å; I252-V256 HydrophobicContact CG2-CG2 4.19Å; I252-V256 WeakPolarHBondContact O-CB 3.48Å; I252-V256 VanDerWaalsContact O-CG2 3.24Å; I252-V256 WeakPolarHBondContact O-CG2 3.48Å; I252-V256 PolarHBondContact O-N 3.13Å
253S96.3Very high96Very high2 Ų238.2 Ų38.21%0.01421%0.206CC..Hα-helixtrans-66.2-40.6-179.7-570000112.7L250 D251 I257 H293L250-S253 WeakPolarHBondContact O-CA 3.46Å; L250-S253 VanDerWaalsContact O-CB 3.24Å; L250-S253 WeakPolarHBondContact O-CB 3.12Å; L250-S253 PolarHBondContact O-N 3.07Å; D251-S253 PolarHBondContact O-N 3.39Å; S253-I257 WeakPolarHBondContact O-CB 3.46Å; S253-I257 VanDerWaalsContact O-CD1 3.27Å; S253-I257 WeakPolarHBondContact O-CD1 3.4Å; S253-I257 WeakPolarHBondContact O-CG1 3.16Å; S253-I257 PolarHBondContact O-N 3.13Å; S253-I257 VanDerWaalsContact O-N 3.12Å; S253-H293 VanDerWaalsContact CA-ND1 3.28Å; S253-H293 WeakPolarHBondContact CA-ND1 3.34Å; S253-H293 WeakPolarHBondContact CB-ND1 3.14Å; S253-H293 PolarHBondContact OG-ND1 2.64Å
254F98.1Very high96.1Very high0 Ų031.9 Ų31.90%018%0.178CC..Hα-helixtrans-61.6-46173.6-74.4-80.3000112I233 V236 E237 K242 Y244 L250 D251 I257 A258 L297I233-F254 HydrophobicContact CG2-CB 4.25Å; I233-F254 HydrophobicContact CG2-CD1 4.14Å; I233-F254 HydrophobicContact CG2-CG 4.44Å; V236-F254 HydrophobicContact CB-CD1 3.87Å; V236-F254 HydrophobicContact CB-CE1 4.06Å; V236-F254 HydrophobicContact CG1-CD1 3.57Å; V236-F254 HydrophobicContact CG1-CE1 3.66Å; E237-F254 HydrophobicContact CB-CE1 4.32Å; E237-F254 HydrophobicContact CG-CD1 4.4Å; E237-F254 HydrophobicContact CG-CE1 3.65Å; E237-F254 HydrophobicContact CG-CZ 4.03Å; K242-F254 HydrophobicContact CB-CE2 4.21Å; K242-F254 HydrophobicContact CB-CZ 3.82Å; Y244-F254 HydrophobicContact CD2-CB 3.49Å; Y244-F254 VanDerWaalsContact CD2-CB 3.49Å; Y244-F254 HydrophobicContact CD2-CD1 4.45Å; Y244-F254 AromaticContact CD2-CD2 3.72Å; Y244-F254 HydrophobicContact CD2-CD2 3.72Å; Y244-F254 AromaticContact CD2-CG 3.66Å; Y244-F254 HydrophobicContact CD2-CG 3.66Å; Y244-F254 HydrophobicContact CE2-CB 3.71Å; Y244-F254 HydrophobicContact CE2-CG 4.37Å; L250-F254 HydrophobicContact CB-CE2 4.48Å; L250-F254 VanDerWaalsContact O-CD2 3.24Å; L250-F254 WeakPolarHBondContact O-CD2 3.26Å; L250-F254 PolarHBondContact O-N 3.38Å; L250-F254 VanDerWaalsContact O-N 3.16Å; D251-F254 PolarHBondContact O-N 3.19Å; D251-F254 VanDerWaalsContact O-N 3.16Å; F254-I257 PolarHBondContact O-N 2.7Å; F254-A258 WeakPolarHBondContact O-CB 3.37Å; F254-A258 PolarHBondContact O-N 3.26Å; F254-L297 HydrophobicContact CD1-CD1 4.05Å; F254-L297 HydrophobicContact CD2-CD1 4.27Å; F254-L297 HydrophobicContact CD2-CD2 3.92Å; F254-L297 HydrophobicContact CE1-CD1 4Å; F254-L297 HydrophobicContact CE2-CD1 4.24Å; F254-L297 HydrophobicContact CE2-CD2 3.47Å; F254-L297 VanDerWaalsContact CE2-CD2 3.47Å; F254-L297 HydrophobicContact CG-CD1 4.19Å; F254-L297 HydrophobicContact CZ-CD1 4.1Å; F254-L297 HydrophobicContact CZ-CD2 3.83Å
255K97.6Very high96.1Very high29 Ų2929.8 Ų29.813%0.12617%0.17CC..Hα-helixtrans-62.4-47.7179.9-68.2175.6179.5-171.30112.2F224 Y244 D251 I252 I257 A258 D259F224-K255 HydrophobicContact CB-CD 4.28Å; F224-K255 HydrophobicContact CB-CG 3.89Å; F224-K255 HydrophobicContact CD1-CB 3.7Å; F224-K255 HydrophobicContact CD1-CD 4.49Å; F224-K255 HydrophobicContact CD1-CG 3.82Å; F224-K255 HydrophobicContact CD2-CB 4.29Å; F224-K255 HydrophobicContact CD2-CD 3.7Å; F224-K255 HydrophobicContact CD2-CG 3.93Å; F224-K255 HydrophobicContact CE1-CB 3.77Å; F224-K255 HydrophobicContact CE1-CG 4.33Å; F224-K255 HydrophobicContact CE2-CB 4.35Å; F224-K255 HydrophobicContact CE2-CD 4.15Å; F224-K255 HydrophobicContact CE2-CG 4.44Å; F224-K255 HydrophobicContact CG-CB 3.98Å; F224-K255 HydrophobicContact CG-CD 3.9Å; F224-K255 HydrophobicContact CG-CG 3.59Å; F224-K255 HydrophobicContact CZ-CB 4.12Å; Y244-K255 HydrophobicContact CE2-CG 4.27Å; Y244-K255 WeakPolarHBondContact OH-CE 3.48Å; D251-K255 VanDerWaalsContact O-CG 3.3Å; D251-K255 WeakPolarHBondContact O-CG 3.4Å; D251-K255 PolarHBondContact O-N 3.42Å; I252-K255 PolarHBondContact O-N 3.21Å; K255-I257 PolarHBondContact O-N 2.92Å; K255-A258 PolarHBondContact O-N 3.15Å; K255-D259 PolarHBondContact O-N 2.86Å
256V96.6Very high96.2Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-59.9-45.6178.1170.10000111.4V56 I252 A258 H260 R289 H293V56-V256 HydrophobicContact CG1-CG2 4.33Å; V56-V256 VanDerWaalsContact O-CG2 3.27Å; V56-V256 WeakPolarHBondContact O-CG2 3.35Å; I252-V256 HydrophobicContact CG2-CG2 4.19Å; I252-V256 WeakPolarHBondContact O-CB 3.48Å; I252-V256 VanDerWaalsContact O-CG2 3.24Å; I252-V256 WeakPolarHBondContact O-CG2 3.48Å; I252-V256 PolarHBondContact O-N 3.13Å; V256-A258 VanDerWaalsContact C-N 3.33Å; V256-A258 PolarHBondContact O-N 2.94Å; V256-H260 VanDerWaalsContact O-CB 3.26Å; V256-H260 WeakPolarHBondContact O-CB 3.41Å; V256-H260 VanDerWaalsContact O-CG 3.27Å; V256-H260 PolarHBondContact O-N 3.36Å; V256-R289 HydrophobicContact CG1-CG 4.02Å; V256-R289 VanDerWaalsContact CG1-NH1 3.29Å; V256-H293 WeakPolarHBondContact CG1-CD2 3.17Å
257I98.1Very high96.3Very high0 Ų023.2 Ų23.20%011%0.11CC..Hα-helixtrans-60.4-45.5177.9-68.3163.5000110.6V236 S253 F254 K255 I261 A290 H293 L297 F303 L304 L307V236-I257 HydrophobicContact CG1-CD1 3.94Å; V236-I257 HydrophobicContact CG2-CB 4.47Å; V236-I257 HydrophobicContact CG2-CG2 3.63Å; S253-I257 WeakPolarHBondContact O-CB 3.46Å; S253-I257 VanDerWaalsContact O-CD1 3.27Å; S253-I257 WeakPolarHBondContact O-CD1 3.4Å; S253-I257 WeakPolarHBondContact O-CG1 3.16Å; S253-I257 PolarHBondContact O-N 3.13Å; S253-I257 VanDerWaalsContact O-N 3.12Å; F254-I257 PolarHBondContact O-N 2.7Å; K255-I257 PolarHBondContact O-N 2.92Å; I257-I261 VanDerWaalsContact O-CG2 3.26Å; I257-I261 WeakPolarHBondContact O-CG2 3.16Å; I257-I261 PolarHBondContact O-N 3.2Å; I257-A290 WeakPolarHBondContact CG1-O 3.29Å; I257-H293 HydrophobicContact CD1-CB 4.11Å; I257-H293 HydrophobicContact CG1-CB 3.91Å; I257-L297 HydrophobicContact CD1-CD1 3.64Å; I257-F303 HydrophobicContact CD1-CE2 4.27Å; I257-F303 HydrophobicContact CD1-CZ 4Å; I257-F303 HydrophobicContact CG1-CZ 4.33Å; I257-F303 HydrophobicContact CG2-CE2 3.91Å; I257-F303 HydrophobicContact CG2-CZ 4.26Å; I257-L304 HydrophobicContact CG2-CD1 4.11Å; I257-L307 HydrophobicContact CG2-CD1 3.56Å
258A97.9Very high96.2Very high0 Ų019.5 Ų19.50%09%0.09CC..Hα-helixtrans-64.3-45.7-177.300000112.8F229 I232 I233 F254 K255 V256 I261 R262F229-A258 HydrophobicContact CD1-CB 4.17Å; I232-A258 HydrophobicContact CB-CB 4.13Å; I232-A258 HydrophobicContact CG2-CB 3.96Å; I233-A258 HydrophobicContact CG1-CB 3.92Å; F254-A258 WeakPolarHBondContact O-CB 3.37Å; F254-A258 PolarHBondContact O-N 3.26Å; K255-A258 PolarHBondContact O-N 3.15Å; V256-A258 VanDerWaalsContact C-N 3.33Å; V256-A258 PolarHBondContact O-N 2.94Å; A258-I261 WeakPolarHBondContact O-CG2 3.31Å; A258-R262 PolarHBondContact O-N 2.73Å
259D97.6Very high96.2Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-65.1-47.9176.5167.978.9000112.3V56 H63 T64 F224 F229 K255 I261 R262 S263V56-D259 HydrophobicContact CG1-CB 3.64Å; V56-D259 WeakPolarHBondContact CG1-OD2 3.02Å; H63-D259 WeakPolarHBondContact CA-OD1 3.24Å; H63-D259 WeakPolarHBondContact CB-OD1 3.26Å; H63-D259 IonicContact ND1-OD1 2.76Å; T64-D259 WeakPolarHBondContact CB-OD2 3.44Å; T64-D259 PolarHBondContact N-OD1 2.9Å; T64-D259 PolarHBondContact N-OD2 3.33Å; T64-D259 PolarHBondContact OG1-OD2 2.92Å; F224-D259 HydrophobicContact CE1-CB 4.12Å; F229-D259 HydrophobicContact CE1-CB 4.44Å; K255-D259 PolarHBondContact O-N 2.86Å; D259-I261 PolarHBondContact O-N 3.36Å; D259-R262 WeakPolarHBondContact O-CB 3.47Å; D259-R262 PolarHBondContact O-N 2.82Å; D259-S263 PolarHBondContact O-N 2.86Å; D259-S263 PolarHBondContact O-OG 2.83Å
260H97.6Very high96.2Very high0 Ų07.1 Ų7.10%04%0.038CC..Hα-helixtrans-69.1-37-173.7-736.8000112.2T64 V256 R262 S263 L264 L286 R289 A290T64-H260 PolarHBondContact OG1-CE1 2.88Å; T64-H260 PolarHBondContact OG1-ND1 2.97Å; V256-H260 VanDerWaalsContact O-CB 3.26Å; V256-H260 WeakPolarHBondContact O-CB 3.41Å; V256-H260 VanDerWaalsContact O-CG 3.27Å; V256-H260 PolarHBondContact O-N 3.36Å; H260-R262 VanDerWaalsContact C-N 3.34Å; H260-S263 WeakPolarHBondContact O-CB 3.21Å; H260-S263 PolarHBondContact O-N 3.15Å; H260-L264 WeakPolarHBondContact O-CB 3.34Å; H260-L264 WeakPolarHBondContact O-CD1 3.35Å; H260-L264 WeakPolarHBondContact O-CG 3.28Å; H260-L264 PolarHBondContact O-N 2.83Å; H260-L286 HydrophobicContact CB-CB 4.31Å; H260-L286 PolarHBondContact CD2-O 2.97Å; H260-L286 VanDerWaalsContact CD2-O 3.32Å; H260-R289 PolarHBondContact CE1-NH1 3.01Å; H260-R289 VanDerWaalsContact CE1-NH1 3.26Å; H260-R289 WeakPolarHBondContact NE2-CD 3.43Å; H260-R289 PolarHBondContact NE2-NH1 2.76Å; H260-A290 HydrophobicContact CB-CB 4.04Å
261I98.1Very high95.8Very high0 Ų07.1 Ų7.10%05%0.047CC..Hα-helixtrans-69.7-33.4176.4-163.137.6000112.5I232 I257 A258 D259 L264 A265 L304 L307 V308 V311 V333I232-I261 HydrophobicContact CG2-CG2 3.84Å; I257-I261 VanDerWaalsContact O-CG2 3.26Å; I257-I261 WeakPolarHBondContact O-CG2 3.16Å; I257-I261 PolarHBondContact O-N 3.2Å; A258-I261 WeakPolarHBondContact O-CG2 3.31Å; D259-I261 PolarHBondContact O-N 3.36Å; I261-L264 HydrophobicContact CD1-CB 4.17Å; I261-L264 HydrophobicContact CD1-CD1 4.3Å; I261-L264 PolarHBondContact O-N 3.05Å; I261-A265 VanDerWaalsContact O-CB 3.29Å; I261-A265 WeakPolarHBondContact O-CB 3.46Å; I261-A265 PolarHBondContact O-N 3.49Å; I261-L304 HydrophobicContact CB-CD1 3.87Å; I261-L304 HydrophobicContact CB-CG 4.41Å; I261-L304 HydrophobicContact CD1-CD1 4.22Å; I261-L304 HydrophobicContact CD1-CD2 4.34Å; I261-L304 HydrophobicContact CD1-CG 3.78Å; I261-L304 HydrophobicContact CG1-CD1 4.03Å; I261-L304 HydrophobicContact CG1-CG 4.11Å; I261-L307 HydrophobicContact CB-CB 4.5Å; I261-L307 HydrophobicContact CB-CD1 4.42Å; I261-L307 HydrophobicContact CG1-CB 3.82Å; I261-L307 HydrophobicContact CG1-CD1 4.45Å; I261-L307 HydrophobicContact CG2-CB 4.08Å; I261-L307 HydrophobicContact CG2-CD1 4.02Å; I261-V308 HydrophobicContact CD1-CG2 3.93Å; I261-V311 HydrophobicContact CG2-CG2 4.05Å; I261-V333 HydrophobicContact CD1-CG1 4.38Å; I261-V333 HydrophobicContact CD1-CG2 4.34Å
262R97Very high95.2Very high1 Ų16.5 Ų6.50%0.0044%0.044CC..Hα-helixtrans-60.5-50.6171.6-166.8171.471.6146.84109.8M65 E67 E211 F229 A258 D259 H260 L264 A265 F266 V311M65-R262 HydrophobicContact CE-CG 4.21Å; M65-R262 PolarHBondContact O-NH2 2.82Å; E67-R262 IonicContact OE2-CZ 3.46Å; E67-R262 IonicContact OE2-NH1 2.75Å; E67-R262 PolarHBondContact OE2-NH1 2.94Å; E67-R262 IonicContact OE2-NH2 3.39Å; E211-R262 IonicContact OE1-CZ 2.8Å; E211-R262 VanDerWaalsContact OE1-CZ 3.25Å; E211-R262 IonicContact OE1-NH1 3.7Å; E211-R262 PolarHBondContact OE1-NH1 3.38Å; E211-R262 IonicContact OE1-NH2 3.45Å; E211-R262 PolarHBondContact OE1-NH2 2.98Å; F229-R262 VanDerWaalsContact CZ-NH2 3.29Å; A258-R262 PolarHBondContact O-N 2.73Å; D259-R262 WeakPolarHBondContact O-CB 3.47Å; D259-R262 PolarHBondContact O-N 2.82Å; H260-R262 VanDerWaalsContact C-N 3.34Å; R262-L264 PolarHBondContact O-N 3.17Å; R262-A265 PolarHBondContact O-N 2.95Å; R262-F266 HydrophobicContact CG-CD2 4.2Å; R262-F266 HydrophobicContact CG-CE2 4.16Å; R262-F266 WeakPolarHBondContact O-CD2 3.43Å; R262-F266 PolarHBondContact O-N 2.88Å; R262-F266 VanDerWaalsContact O-N 3.16Å; R262-V311 HydrophobicContact CG-CG1 4.19Å
263S97.3Very high94.7Very high0 Ų06.1 Ų6.10%04%0.043CC..Hα-helixtrans-57.8-45.8177.2-55.50000112.8T64 M65 D259 H260 A267T64-S263 VanDerWaalsContact CB-OG 3.31Å; T64-S263 WeakPolarHBondContact CB-OG 3.38Å; M65-S263 WeakPolarHBondContact CB-OG 3.41Å; M65-S263 PolarHBondContact N-OG 3.06Å; D259-S263 PolarHBondContact O-N 2.86Å; D259-S263 PolarHBondContact O-OG 2.83Å; H260-S263 WeakPolarHBondContact O-CB 3.21Å; H260-S263 PolarHBondContact O-N 3.15Å; S263-A267 VanDerWaalsContact O-CB 3.25Å; S263-A267 WeakPolarHBondContact O-CB 3.36Å; S263-A267 PolarHBondContact O-N 3.05Å
264L97.8Very high94.2Very high0 Ų06.6 Ų6.60%05%0.046CC..Hα-helixtrans-63.1-45.9177.9-73.7164.2000112.2H260 I261 R262 F266 A267 I268 L283 L286 L287 L304H260-L264 WeakPolarHBondContact O-CB 3.34Å; H260-L264 WeakPolarHBondContact O-CD1 3.35Å; H260-L264 WeakPolarHBondContact O-CG 3.28Å; H260-L264 PolarHBondContact O-N 2.83Å; I261-L264 HydrophobicContact CD1-CB 4.17Å; I261-L264 HydrophobicContact CD1-CD1 4.3Å; I261-L264 PolarHBondContact O-N 3.05Å; R262-L264 PolarHBondContact O-N 3.17Å; L264-F266 PolarHBondContact O-N 2.95Å; L264-A267 PolarHBondContact O-N 3.42Å; L264-I268 HydrophobicContact CB-CD1 4.43Å; L264-I268 VanDerWaalsContact O-CB 3.3Å; L264-I268 WeakPolarHBondContact O-CB 3.37Å; L264-I268 WeakPolarHBondContact O-CD1 3.41Å; L264-I268 WeakPolarHBondContact O-CG1 3.39Å; L264-I268 PolarHBondContact O-N 2.77Å; L264-L283 HydrophobicContact CD2-CB 4.06Å; L264-L283 HydrophobicContact CD2-CD2 4.18Å; L264-L283 WeakPolarHBondContact CD2-O 3.48Å; L264-L286 HydrophobicContact CD2-CB 4.34Å; L264-L286 HydrophobicContact CG-CB 4.36Å; L264-L287 HydrophobicContact CD1-CB 3.84Å; L264-L287 HydrophobicContact CD1-CG 4.38Å; L264-L287 HydrophobicContact CD2-CB 4.09Å; L264-L304 HydrophobicContact CD1-CD2 3.75Å
265A97.5Very high93.1Very high0 Ų07.5 Ų7.50%05%0.052CC..Hα-helixtrans-61-45.9-177.600000111.5I261 R262 G269 V311 V322 I329I261-A265 VanDerWaalsContact O-CB 3.29Å; I261-A265 WeakPolarHBondContact O-CB 3.46Å; I261-A265 PolarHBondContact O-N 3.49Å; R262-A265 PolarHBondContact O-N 2.95Å; A265-G269 PolarHBondContact O-N 3.03Å; A265-V311 HydrophobicContact CB-CB 4.33Å; A265-V311 HydrophobicContact CB-CG1 3.93Å; A265-V322 HydrophobicContact CB-CG1 4.04Å; A265-I329 HydrophobicContact CB-CG2 4.25Å; A265-I329 WeakPolarHBondContact O-CD1 3.49Å
266F96.6Very high91.7Very high1 Ų111.8 Ų11.80%0.0048%0.076CC..Hα-helixtrans-69.4-45.8177.4-83-79.8000113.1L8 K46 M65 R262 L264 I268 G269 D270 V311 M315 Y319 V322L8-F266 HydrophobicContact CD1-CB 3.77Å; K46-F266 HydrophobicContact CD-CD1 3.28Å; K46-F266 HydrophobicContact CD-CE1 3.48Å; K46-F266 VanDerWaalsContact CD-CE1 3.48Å; K46-F266 HydrophobicContact CD-CG 4.17Å; K46-F266 HydrophobicContact CD-CZ 4.5Å; K46-F266 HydrophobicContact CG-CD1 4.41Å; K46-F266 HydrophobicContact CG-CE1 4.43Å; M65-F266 HydrophobicContact CE-CB 3.98Å; M65-F266 HydrophobicContact CE-CD1 4.21Å; M65-F266 HydrophobicContact CE-CD2 3.04Å; M65-F266 HydrophobicContact CE-CE1 4.44Å; M65-F266 HydrophobicContact CE-CE2 3.34Å; M65-F266 HydrophobicContact CE-CG 3.49Å; M65-F266 VanDerWaalsContact CE-CG 3.49Å; M65-F266 HydrophobicContact CE-CZ 4.04Å; R262-F266 HydrophobicContact CG-CD2 4.2Å; R262-F266 HydrophobicContact CG-CE2 4.16Å; R262-F266 WeakPolarHBondContact O-CD2 3.43Å; R262-F266 PolarHBondContact O-N 2.88Å; R262-F266 VanDerWaalsContact O-N 3.16Å; L264-F266 PolarHBondContact O-N 2.95Å; F266-I268 VanDerWaalsContact C-N 3.33Å; F266-I268 PolarHBondContact O-N 3.46Å; F266-G269 PolarHBondContact O-N 3.43Å; F266-D270 WeakPolarHBondContact O-CB 3.46Å; F266-D270 PolarHBondContact O-N 3.15Å; F266-V311 HydrophobicContact CE2-CG1 4.29Å; F266-M315 HydrophobicContact CE2-CB 4.29Å; F266-M315 HydrophobicContact CE2-CE 4.06Å; F266-M315 HydrophobicContact CE2-CG 3.74Å; F266-M315 HydrophobicContact CZ-CB 3.79Å; F266-M315 HydrophobicContact CZ-CE 3.75Å; F266-M315 HydrophobicContact CZ-CG 3.71Å; F266-Y319 HydrophobicContact CE1-CD1 4.09Å; F266-Y319 AromaticContact CE1-CD2 3.98Å; F266-Y319 HydrophobicContact CE1-CD2 3.98Å; F266-Y319 AromaticContact CE1-CG 3.63Å; F266-Y319 HydrophobicContact CE1-CG 3.63Å; F266-Y319 AromaticContact CZ-CD2 3.86Å; F266-Y319 HydrophobicContact CZ-CD2 3.86Å; F266-Y319 AromaticContact CZ-CG 3.96Å; F266-Y319 HydrophobicContact CZ-CG 3.96Å; F266-V322 HydrophobicContact CD1-CG2 3.69Å; F266-V322 HydrophobicContact CD2-CG2 4.33Å; F266-V322 HydrophobicContact CE1-CG2 3.69Å; F266-V322 HydrophobicContact CE2-CG2 4.34Å; F266-V322 HydrophobicContact CG-CG2 4.06Å; F266-V322 HydrophobicContact CZ-CG2 4.05Å
267A95.5Very high90.4Very high0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-64.8-37.8-178.800000112.5L8 W18 I48 S263 L264 D270 G271 A272 L283L8-A267 HydrophobicContact CD1-CB 4.27Å; W18-A267 HydrophobicContact CH2-CB 3.84Å; W18-A267 HydrophobicContact CZ3-CB 3.98Å; I48-A267 HydrophobicContact CD1-CB 4.24Å; S263-A267 VanDerWaalsContact O-CB 3.25Å; S263-A267 WeakPolarHBondContact O-CB 3.36Å; S263-A267 PolarHBondContact O-N 3.05Å; L264-A267 PolarHBondContact O-N 3.42Å; A267-D270 CarbonylContact O-C 3.59Å; A267-D270 PolarHBondContact O-N 2.96Å; A267-G271 PolarHBondContact O-N 2.99Å; A267-A272 WeakPolarHBondContact O-CB 3.29Å; A267-A272 PolarHBondContact O-N 2.97Å; A267-L283 HydrophobicContact CB-CD1 4.36Å; A267-L283 HydrophobicContact CB-CD2 3.44Å; A267-L283 VanDerWaalsContact CB-CD2 3.44Å
268I93.5Very high89.3Confident0 Ų021.2 Ų21.20%013%0.132CC..Hα-helixtrans-70.2-41.5174.6-63.9164.4000110.8L264 F266 D270 G271 A272 L283 F328 I329 V332 V333L264-I268 HydrophobicContact CB-CD1 4.43Å; L264-I268 VanDerWaalsContact O-CB 3.3Å; L264-I268 WeakPolarHBondContact O-CB 3.37Å; L264-I268 WeakPolarHBondContact O-CD1 3.41Å; L264-I268 WeakPolarHBondContact O-CG1 3.39Å; L264-I268 PolarHBondContact O-N 2.77Å; F266-I268 VanDerWaalsContact C-N 3.33Å; F266-I268 PolarHBondContact O-N 3.46Å; I268-D270 PolarHBondContact O-N 2.87Å; I268-G271 PolarHBondContact O-N 3.16Å; I268-A272 WeakPolarHBondContact CA-O 3.31Å; I268-L283 HydrophobicContact CG1-CD1 4.28Å; I268-F328 HydrophobicContact CG2-CD1 4.16Å; I268-F328 HydrophobicContact CG2-CE1 3.75Å; I268-I329 HydrophobicContact CB-CG1 4.33Å; I268-I329 HydrophobicContact CB-CG2 4.39Å; I268-I329 HydrophobicContact CD1-CG2 4.48Å; I268-I329 HydrophobicContact CG2-CB 4.35Å; I268-I329 HydrophobicContact CG2-CG1 3.95Å; I268-I329 HydrophobicContact CG2-CG2 4.41Å; I268-V332 HydrophobicContact CD1-CB 4.2Å; I268-V332 HydrophobicContact CD1-CG1 3.73Å; I268-V332 HydrophobicContact CG1-CG1 4.21Å; I268-V332 HydrophobicContact CG2-CB 4.06Å; I268-V332 HydrophobicContact CG2-CG1 4.16Å; I268-V332 HydrophobicContact CG2-CG2 4.01Å; I268-V333 HydrophobicContact CD1-CG2 3.7Å
269G91.1Very high88.7Confident8 Ų824.8 Ų24.88%0.08215%0.145CC..Hα-helixtrans-60.6-30.2173.400000113.2A265 F266 G271 Q325A265-G269 PolarHBondContact O-N 3.03Å; F266-G269 PolarHBondContact O-N 3.43Å; G269-G271 VanDerWaalsContact C-N 3.26Å; G269-G271 PolarHBondContact O-N 3.41Å; G269-Q325 PolarHBondContact O-NE2 2.86Å; G269-Q325 PolarHBondContact O-OE1 2.94Å
270D90Very high88Confident20 Ų2025 Ų2511%0.10715%0.147CC..THydrogen-bonded Turntrans-84.55.7174.3-78.7-8.5000113.3S7 L8 K46 F266 A267 I268S7-D270 WeakPolarHBondContact OG-CB 3.37Å; L8-D270 HydrophobicContact CB-CB 4.45Å; L8-D270 WeakPolarHBondContact CB-OD2 3.49Å; L8-D270 WeakPolarHBondContact CG-OD2 3.49Å; L8-D270 PolarHBondContact N-OD2 3.47Å; K46-D270 IonicContact NZ-OD1 2.85Å; K46-D270 PolarHBondContact NZ-OD1 3.28Å; K46-D270 IonicContact NZ-OD2 3.94Å; K46-D270 PolarHBondContact NZ-OD2 2.92Å; K46-D270 VanDerWaalsContact NZ-OD2 3.13Å; F266-D270 WeakPolarHBondContact O-CB 3.46Å; F266-D270 PolarHBondContact O-N 3.15Å; A267-D270 CarbonylContact O-C 3.59Å; A267-D270 PolarHBondContact O-N 2.96Å; I268-D270 PolarHBondContact O-N 2.87Å
271G85Confident87.2Confident36 Ų3628.6 Ų28.637%0.37116%0.162SC..THydrogen-bonded Turntrans94.71.1171.700000116A267 I268 G269A267-G271 PolarHBondContact O-N 2.99Å; I268-G271 PolarHBondContact O-N 3.16Å; G269-G271 VanDerWaalsContact C-N 3.26Å; G269-G271 PolarHBondContact O-N 3.41Å
272A84.8Confident86.8Confident8 Ų829.1 Ų29.17%0.06617%0.165CC..  trans-81.1132.4176.800000111.9V9 W18 A267 I268 L283V9-A272 HydrophobicContact CG2-CB 3.87Å; W18-A272 HydrophobicContact CH2-CB 3.46Å; W18-A272 VanDerWaalsContact CH2-CB 3.46Å; W18-A272 HydrophobicContact CZ3-CB 3.8Å; A267-A272 WeakPolarHBondContact O-CB 3.29Å; A267-A272 PolarHBondContact O-N 2.97Å; I268-A272 WeakPolarHBondContact CA-O 3.31Å; A272-L283 HydrophobicContact CB-CD1 3.78Å; A272-L283 VanDerWaalsContact O-CD1 3.23Å; A272-L283 WeakPolarHBondContact O-CD1 3.31Å
273L85.4Confident86.6Confident24 Ų2429.1 Ų29.113%0.12617%0.165CC..  trans-116.8143.4-173.2-48.1-170.2000111.6S275 G280 F328 F582L273-S275 PolarHBondContact O-N 2.87Å; L273-G280 WeakPolarHBondContact O-CA 3.37Å; L273-F328 HydrophobicContact CD2-CZ 4.37Å; L273-F582 HydrophobicContact CB-CE1 3.9Å; L273-F582 HydrophobicContact CB-CZ 4.28Å; L273-F582 HydrophobicContact CD1-CD1 4.27Å; L273-F582 HydrophobicContact CD1-CD2 4.47Å; L273-F582 HydrophobicContact CD1-CE1 3.58Å; L273-F582 HydrophobicContact CD1-CE2 3.73Å; L273-F582 HydrophobicContact CD1-CZ 3.35Å; L273-F582 HydrophobicContact CD2-CE1 3.53Å; L273-F582 HydrophobicContact CD2-CE2 4.03Å; L273-F582 HydrophobicContact CD2-CZ 3.07Å; L273-F582 HydrophobicContact CG-CE1 3.82Å; L273-F582 HydrophobicContact CG-CE2 4.48Å; L273-F582 HydrophobicContact CG-CZ 3.68Å
274P85Confident86.3Confident12 Ų1229.7 Ų29.78%0.07817%0.167CC..  trans-54.1130.3173.8-26.835000112.6L283 V332 E336P274-L283 HydrophobicContact CG-CB 4.4Å; P274-V332 HydrophobicContact CG-CG1 3.97Å; P274-E336 HydrophobicContact CB-CG 4.04Å; P274-E336 HydrophobicContact CG-CG 4.39Å
275S74.7Confident85.9Confident19 Ų1932.2 Ų32.213%0.13318%0.176CC..  trans-154.2168.5-170.9127.90000111.9L273 E277 G280 Y281 R284 A671L273-S275 PolarHBondContact O-N 2.87Å; S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 PolarHBondContact OG-N 3.03Å; S275-E277 VanDerWaalsContact OG-N 3.08Å; S275-E277 PolarHBondContact OG-O 3.15Å; S275-G280 PolarHBondContact N-O 3.37Å; S275-G280 CarbonylContact O-C 3.44Å; S275-G280 VanDerWaalsContact O-O 3.13Å; S275-Y281 VanDerWaalsContact O-CA 3.28Å; S275-Y281 WeakPolarHBondContact O-CA 3.38Å; S275-Y281 PolarHBondContact O-N 2.88Å; S275-R284 PolarHBondContact O-NH1 3.48Å; S275-A671 VanDerWaalsContact CA-CB 3.46Å
276N69Low85.8Confident118 Ų11832.2 Ų32.263%0.63118%0.176SC*.SBendtrans-78.3-10.8178.1-74.2-25.6000112.7Y281 R284N276-Y281 WeakPolarHBondContact O-CD2 3.49Å; N276-R284 VanDerWaalsContact N-NH1 3.13Å; N276-R284 PolarHBondContact OD1-NH1 3.37Å
277E69.4Low85.7Confident155 Ų15532.1 Ų32.172%0.72418%0.176SC*.SBendtrans-141.3157.8-170.1-63.3-179177.500111.9S275 R279 G280 Y281S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 PolarHBondContact OG-N 3.03Å; S275-E277 VanDerWaalsContact OG-N 3.08Å; S275-E277 PolarHBondContact OG-O 3.15Å; E277-R279 PolarHBondContact O-N 3.3Å; E277-G280 PolarHBondContact O-N 3.02Å; E277-Y281 PolarHBondContact O-N 3.43Å
278G75.2Confident85.6Confident43 Ų4334.2 Ų34.244%0.44318%0.184SC..Hα-helixtrans54.2-134174.500000113.4G280 Y281 V282G278-G280 VanDerWaalsContact C-N 3.3Å; G278-G280 PolarHBondContact O-N 3.35Å; G278-Y281 VanDerWaalsContact O-CB 3.28Å; G278-Y281 WeakPolarHBondContact O-CB 3.34Å; G278-Y281 PolarHBondContact O-N 3.06Å; G278-Y281 VanDerWaalsContact O-N 3.16Å; G278-V282 PolarHBondContact O-N 3.42Å
279R84Confident85.5Confident75 Ų7534.3 Ų34.328%0.28318%0.184SC..Hα-helixtrans-57.7-42.9-178.8-68.9176.3-168.685.515.8112.4L16 L17 W18 E277 Y281 V282 L283L16-R279 PolarHBondContact O-NH2 3.2Å; L17-R279 HydrophobicContact CD1-CG 3.85Å; L17-R279 HydrophobicContact CG-CG 4.15Å; L17-R279 WeakPolarHBondContact O-CD 3.41Å; L17-R279 VanDerWaalsContact O-CG 3.32Å; L17-R279 WeakPolarHBondContact O-CG 3.19Å; L17-R279 VanDerWaalsContact O-CZ 3.27Å; L17-R279 PolarHBondContact O-NE 3.05Å; L17-R279 PolarHBondContact O-NH2 3.33Å; W18-R279 HydrophobicContact CD2-CG 4.16Å; W18-R279 HydrophobicContact CE3-CG 4.39Å; W18-R279 HydrophobicContact CH2-CB 3.73Å; W18-R279 HydrophobicContact CH2-CG 4.1Å; W18-R279 HydrophobicContact CZ2-CB 3.45Å; W18-R279 VanDerWaalsContact CZ2-CB 3.45Å; W18-R279 HydrophobicContact CZ2-CG 3.84Å; W18-R279 WeakPolarHBondContact CZ2-O 3.36Å; W18-R279 HydrophobicContact CZ3-CB 4.43Å; W18-R279 HydrophobicContact CZ3-CG 4.36Å; E277-R279 PolarHBondContact O-N 3.3Å; R279-Y281 PolarHBondContact O-N 3.45Å; R279-V282 WeakPolarHBondContact O-CB 3.09Å; R279-V282 PolarHBondContact O-N 3.17Å; R279-V282 VanDerWaalsContact O-N 3.08Å; R279-L283 PolarHBondContact O-N 2.82Å
280G82.7Confident85.7Confident4 Ų433.9 Ų33.94%0.04118%0.18CC..Hα-helixtrans-67.1-26.8-178.800000113.8L273 S275 E277 G278 R284L273-G280 WeakPolarHBondContact O-CA 3.37Å; S275-G280 PolarHBondContact N-O 3.37Å; S275-G280 CarbonylContact O-C 3.44Å; S275-G280 VanDerWaalsContact O-O 3.13Å; E277-G280 PolarHBondContact O-N 3.02Å; G278-G280 VanDerWaalsContact C-N 3.3Å; G278-G280 PolarHBondContact O-N 3.35Å; G280-R284 VanDerWaalsContact O-CB 3.31Å; G280-R284 WeakPolarHBondContact O-CB 3.24Å; G280-R284 PolarHBondContact O-N 3.02Å
281Y81.9Confident85.9Confident76 Ų7633 Ų3330%0.29818%0.176SC..Hα-helixtrans-62.7-46.4169.9-178.7-96.3000111.2S275 N276 E277 G278 R279 L283 R284 R285 E383S275-Y281 VanDerWaalsContact O-CA 3.28Å; S275-Y281 WeakPolarHBondContact O-CA 3.38Å; S275-Y281 PolarHBondContact O-N 2.88Å; N276-Y281 WeakPolarHBondContact O-CD2 3.49Å; E277-Y281 PolarHBondContact O-N 3.43Å; G278-Y281 VanDerWaalsContact O-CB 3.28Å; G278-Y281 WeakPolarHBondContact O-CB 3.34Å; G278-Y281 PolarHBondContact O-N 3.06Å; G278-Y281 VanDerWaalsContact O-N 3.16Å; R279-Y281 PolarHBondContact O-N 3.45Å; Y281-L283 PolarHBondContact O-N 3.36Å; Y281-R284 WeakPolarHBondContact O-CB 3.45Å; Y281-R284 PolarHBondContact O-N 3.46Å; Y281-R285 PolarHBondContact O-N 3.11Å; Y281-E383 WeakPolarHBondContact CE1-OE1 3.1Å; Y281-E383 PolarHBondContact OH-OE1 3.25Å; Y281-E383 PolarHBondContact OH-OE2 3.2Å
282V89.2Confident86.2Confident12 Ų1231.6 Ų31.67%0.07316%0.16CC..Hα-helixtrans-60-47.8176.4-179.10000110.7L17 W18 T50 I53 G278 R279 R284 R285 L286L17-V282 HydrophobicContact CD2-CG2 3.75Å; W18-V282 HydrophobicContact CZ2-CB 4.45Å; T50-V282 HydrophobicContact CG2-CG1 4.08Å; T50-V282 HydrophobicContact CG2-CG2 4.14Å; I53-V282 HydrophobicContact CD1-CG1 4.24Å; G278-V282 PolarHBondContact O-N 3.42Å; R279-V282 WeakPolarHBondContact O-CB 3.09Å; R279-V282 PolarHBondContact O-N 3.17Å; R279-V282 VanDerWaalsContact O-N 3.08Å; V282-R284 VanDerWaalsContact C-N 3.29Å; V282-R284 PolarHBondContact O-N 2.94Å; V282-R285 WeakPolarHBondContact O-CB 3.46Å; V282-R285 PolarHBondContact O-N 2.91Å; V282-R285 VanDerWaalsContact O-N 3.08Å; V282-L286 HydrophobicContact CG1-CD1 4.12Å; V282-L286 HydrophobicContact CG1-CG 4.33Å; V282-L286 WeakPolarHBondContact O-CG 3.48Å; V282-L286 PolarHBondContact O-N 3.47Å
283L93.6Very high86.6Confident0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-58.2-43.5177.5-62.2-173.7000112.2W18 L264 A267 I268 A272 P274 R279 Y281 R285 L286 L287W18-L283 HydrophobicContact CH2-CD1 4.34Å; W18-L283 HydrophobicContact CH2-CD2 3.86Å; W18-L283 HydrophobicContact CH2-CG 4.1Å; W18-L283 HydrophobicContact CZ2-CD2 3.91Å; W18-L283 HydrophobicContact CZ2-CG 4.09Å; L264-L283 HydrophobicContact CD2-CB 4.06Å; L264-L283 HydrophobicContact CD2-CD2 4.18Å; L264-L283 WeakPolarHBondContact CD2-O 3.48Å; A267-L283 HydrophobicContact CB-CD1 4.36Å; A267-L283 HydrophobicContact CB-CD2 3.44Å; A267-L283 VanDerWaalsContact CB-CD2 3.44Å; I268-L283 HydrophobicContact CG1-CD1 4.28Å; A272-L283 HydrophobicContact CB-CD1 3.78Å; A272-L283 VanDerWaalsContact O-CD1 3.23Å; A272-L283 WeakPolarHBondContact O-CD1 3.31Å; P274-L283 HydrophobicContact CG-CB 4.4Å; R279-L283 PolarHBondContact O-N 2.82Å; Y281-L283 PolarHBondContact O-N 3.36Å; L283-R285 VanDerWaalsContact C-N 3.35Å; L283-R285 PolarHBondContact O-N 3.34Å; L283-L286 PolarHBondContact O-N 2.81Å; L283-L287 WeakPolarHBondContact O-CB 3.45Å; L283-L287 PolarHBondContact O-N 2.62Å
284R89.9Confident87Confident13 Ų1330.2 Ų30.25%0.04915%0.151CC..Hα-helixtrans-63.6-40.7176.3176174.9-83.2160.24.4112S275 N276 G280 Y281 V282 R288 E336S275-R284 PolarHBondContact O-NH1 3.48Å; N276-R284 VanDerWaalsContact N-NH1 3.13Å; N276-R284 PolarHBondContact OD1-NH1 3.37Å; G280-R284 VanDerWaalsContact O-CB 3.31Å; G280-R284 WeakPolarHBondContact O-CB 3.24Å; G280-R284 PolarHBondContact O-N 3.02Å; Y281-R284 WeakPolarHBondContact O-CB 3.45Å; Y281-R284 PolarHBondContact O-N 3.46Å; V282-R284 VanDerWaalsContact C-N 3.29Å; V282-R284 PolarHBondContact O-N 2.94Å; R284-R288 VanDerWaalsContact CD-NH2 3.27Å; R284-R288 HydrophobicContact CG-CG 4.3Å; R284-R288 VanDerWaalsContact O-CB 3.31Å; R284-R288 WeakPolarHBondContact O-CB 3.35Å; R284-R288 WeakPolarHBondContact O-CD 3.47Å; R284-R288 WeakPolarHBondContact O-CG 3.42Å; R284-R288 PolarHBondContact O-N 3.24Å; R284-E336 IonicContact CZ-OE1 2.75Å; R284-E336 IonicContact NE-OE1 2.8Å; R284-E336 PolarHBondContact NE-OE1 3.16Å; R284-E336 IonicContact NH2-OE1 3.64Å; R284-E336 PolarHBondContact NH2-OE1 2.92Å; R284-E336 IonicContact NH2-OE2 2.7Å; R284-E336 PolarHBondContact NH2-OE2 3.12Å
285R90.5Very high87.3Confident52 Ų5231.2 Ų31.220%0.19615%0.154CC..Hα-helixtrans-58.9-51.8174.2178.8178.8171.4-174.5-1.2110.9E54 Y281 V282 L283 L287 R288 R289 E383E54-R285 IonicContact OE1-CZ 2.89Å; E54-R285 IonicContact OE1-NE 3.5Å; E54-R285 IonicContact OE1-NH2 3.13Å; E54-R285 PolarHBondContact OE1-NH2 2.8Å; Y281-R285 PolarHBondContact O-N 3.11Å; V282-R285 WeakPolarHBondContact O-CB 3.46Å; V282-R285 PolarHBondContact O-N 2.91Å; V282-R285 VanDerWaalsContact O-N 3.08Å; L283-R285 VanDerWaalsContact C-N 3.35Å; L283-R285 PolarHBondContact O-N 3.34Å; R285-L287 PolarHBondContact O-N 2.8Å; R285-R288 PolarHBondContact O-N 3.05Å; R285-R289 VanDerWaalsContact O-CB 3.27Å; R285-R289 WeakPolarHBondContact O-CB 3.21Å; R285-R289 PolarHBondContact O-N 3.31Å; R285-E383 HydrophobicContact CG-CB 4.49Å
286L95.2Very high88.1Confident0 Ų033.8 Ų33.80%016%0.163CC..Hα-helixtrans-59.5-46.5179.4-61.4171.4000112.1I53 T64 H260 L264 V282 L283 R289 A290I53-L286 HydrophobicContact CD1-CD2 3.96Å; I53-L286 HydrophobicContact CG1-CD2 4.13Å; I53-L286 HydrophobicContact CG2-CD2 4.16Å; T64-L286 HydrophobicContact CG2-CD1 3.64Å; T64-L286 HydrophobicContact CG2-CD2 3.59Å; T64-L286 HydrophobicContact CG2-CG 4.24Å; H260-L286 HydrophobicContact CB-CB 4.31Å; H260-L286 PolarHBondContact CD2-O 2.97Å; H260-L286 VanDerWaalsContact CD2-O 3.32Å; L264-L286 HydrophobicContact CD2-CB 4.34Å; L264-L286 HydrophobicContact CG-CB 4.36Å; V282-L286 HydrophobicContact CG1-CD1 4.12Å; V282-L286 HydrophobicContact CG1-CG 4.33Å; V282-L286 WeakPolarHBondContact O-CG 3.48Å; V282-L286 PolarHBondContact O-N 3.47Å; L283-L286 PolarHBondContact O-N 2.81Å; L286-R289 PolarHBondContact O-N 2.85Å; L286-A290 WeakPolarHBondContact O-CB 3.22Å; L286-A290 PolarHBondContact O-N 3.44Å
287L95.1Very high89.3Confident0 Ų028.2 Ų28.20%013%0.133CC..Hα-helixtrans-60.4-49.8178.5-176.5151.8000111.1L264 L283 R285 R289 A290 V291 L304 V333 E336 E337L264-L287 HydrophobicContact CD1-CB 3.84Å; L264-L287 HydrophobicContact CD1-CG 4.38Å; L264-L287 HydrophobicContact CD2-CB 4.09Å; L283-L287 WeakPolarHBondContact O-CB 3.45Å; L283-L287 PolarHBondContact O-N 2.62Å; R285-L287 PolarHBondContact O-N 2.8Å; L287-R289 VanDerWaalsContact C-N 3.33Å; L287-R289 PolarHBondContact O-N 2.8Å; L287-A290 PolarHBondContact O-N 2.7Å; L287-V291 HydrophobicContact CD2-CG2 4.11Å; L287-V291 VanDerWaalsContact O-CG2 3.27Å; L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 2.79Å; L287-L304 HydrophobicContact CB-CD2 4.5Å; L287-L304 HydrophobicContact CG-CD2 3.92Å; L287-V333 HydrophobicContact CD1-CG1 4.2Å; L287-E336 HydrophobicContact CD1-CB 3.77Å; L287-E336 HydrophobicContact CD1-CG 3.88Å; L287-E336 HydrophobicContact CD2-CB 4.42Å; L287-E336 HydrophobicContact CD2-CG 4.01Å; L287-E337 HydrophobicContact CD2-CB 4.3Å
288R91.5Very high90.4Very high44 Ų4423.1 Ų23.117%0.16612%0.122CC..Hα-helixtrans-67.3-36.6-177.7-65.9174.1176.7-178.5-9.7111.8R284 R285 V291 M292 E336 F340 P381 L384R284-R288 VanDerWaalsContact CD-NH2 3.27Å; R284-R288 HydrophobicContact CG-CG 4.3Å; R284-R288 VanDerWaalsContact O-CB 3.31Å; R284-R288 WeakPolarHBondContact O-CB 3.35Å; R284-R288 WeakPolarHBondContact O-CD 3.47Å; R284-R288 WeakPolarHBondContact O-CG 3.42Å; R284-R288 PolarHBondContact O-N 3.24Å; R285-R288 PolarHBondContact O-N 3.05Å; R288-V291 PolarHBondContact O-N 2.96Å; R288-M292 WeakPolarHBondContact O-CG 3.49Å; R288-M292 PolarHBondContact O-N 2.84Å; R288-E336 IonicContact NH2-OE1 2.9Å; R288-F340 HydrophobicContact CB-CD1 3.89Å; R288-F340 HydrophobicContact CB-CE1 3.53Å; R288-F340 HydrophobicContact CB-CE2 4.34Å; R288-F340 HydrophobicContact CB-CG 4.42Å; R288-F340 HydrophobicContact CB-CZ 3.79Å; R288-F340 HydrophobicContact CG-CB 4.39Å; R288-F340 HydrophobicContact CG-CD1 3.64Å; R288-F340 HydrophobicContact CG-CD2 3.88Å; R288-F340 HydrophobicContact CG-CE1 3.75Å; R288-F340 HydrophobicContact CG-CE2 4.02Å; R288-F340 HydrophobicContact CG-CG 3.7Å; R288-F340 HydrophobicContact CG-CZ 3.95Å; R288-P381 HydrophobicContact CB-CG 4.43Å; R288-L384 HydrophobicContact CB-CD1 3.68Å
289R92.7Very high91.3Very high1 Ų121.1 Ų21.10%0.00410%0.101CC..Hα-helixtrans-62.2-47.2172.5-175.2165.8-179.1-104.71.6111.8I53 V256 H260 R285 L286 L287 V291 M292 H293 L384 E387I53-R289 PolarHBondContact O-NH1 2.86Å; I53-R289 VanDerWaalsContact O-NH1 3.11Å; V256-R289 HydrophobicContact CG1-CG 4.02Å; V256-R289 VanDerWaalsContact CG1-NH1 3.29Å; H260-R289 PolarHBondContact CE1-NH1 3.01Å; H260-R289 VanDerWaalsContact CE1-NH1 3.26Å; H260-R289 WeakPolarHBondContact NE2-CD 3.43Å; H260-R289 PolarHBondContact NE2-NH1 2.76Å; R285-R289 VanDerWaalsContact O-CB 3.27Å; R285-R289 WeakPolarHBondContact O-CB 3.21Å; R285-R289 PolarHBondContact O-N 3.31Å; L286-R289 PolarHBondContact O-N 2.85Å; L287-R289 VanDerWaalsContact C-N 3.33Å; L287-R289 PolarHBondContact O-N 2.8Å; R289-V291 VanDerWaalsContact C-N 3.32Å; R289-V291 PolarHBondContact O-N 2.93Å; R289-M292 WeakPolarHBondContact O-CB 3.18Å; R289-M292 PolarHBondContact O-N 2.79Å; R289-H293 PolarHBondContact O-CD2 3.39Å; R289-H293 VanDerWaalsContact O-CD2 3.27Å; R289-H293 PolarHBondContact O-N 3Å; R289-L384 HydrophobicContact CB-CD2 3.8Å; R289-L384 HydrophobicContact CG-CD2 4.16Å; R289-E387 WeakPolarHBondContact CD-OE2 3.23Å; R289-E387 WeakPolarHBondContact CG-OE2 3.49Å; R289-E387 IonicContact CZ-OE1 3.74Å; R289-E387 VanDerWaalsContact CZ-OE1 3.25Å; R289-E387 VanDerWaalsContact NE-CD 3.26Å; R289-E387 IonicContact NE-OE1 3.69Å; R289-E387 PolarHBondContact NE-OE1 2.87Å; R289-E387 IonicContact NE-OE2 3.83Å; R289-E387 PolarHBondContact NE-OE2 3.4Å; R289-E387 IonicContact NH2-OE1 2.63Å; R289-E387 PolarHBondContact NH2-OE1 3.32Å
290A95.5Very high91.5Very high0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-59.5-41.5174.500000112.3I257 H260 L286 L287 H293 G294 L304I257-A290 WeakPolarHBondContact CG1-O 3.29Å; H260-A290 HydrophobicContact CB-CB 4.04Å; L286-A290 WeakPolarHBondContact O-CB 3.22Å; L286-A290 PolarHBondContact O-N 3.44Å; L287-A290 PolarHBondContact O-N 2.7Å; A290-H293 PolarHBondContact O-N 2.95Å; A290-G294 PolarHBondContact O-N 2.78Å; A290-L304 HydrophobicContact CB-CD1 3.76Å; A290-L304 HydrophobicContact CB-CD2 3.94Å
291V94Very high91.9Very high1 Ų127 Ų271%0.00613%0.134CC..Hα-helixtrans-64.5-40.6176.5174.20000111.9L287 R288 R289 G294 K295 E337 F340 I344L287-V291 HydrophobicContact CD2-CG2 4.11Å; L287-V291 VanDerWaalsContact O-CG2 3.27Å; L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 2.79Å; R288-V291 PolarHBondContact O-N 2.96Å; R289-V291 VanDerWaalsContact C-N 3.32Å; R289-V291 PolarHBondContact O-N 2.93Å; V291-G294 WeakPolarHBondContact O-CA 3.29Å; V291-G294 PolarHBondContact O-N 3.48Å; V291-G294 VanDerWaalsContact O-N 3.15Å; V291-K295 PolarHBondContact O-N 3.1Å; V291-E337 HydrophobicContact CG2-CB 4.4Å; V291-E337 HydrophobicContact CG2-CG 3.77Å; V291-F340 HydrophobicContact CB-CD1 4.19Å; V291-F340 HydrophobicContact CB-CE1 4.41Å; V291-F340 HydrophobicContact CG1-CD1 4.02Å; V291-F340 HydrophobicContact CG1-CE1 4.35Å; V291-I344 HydrophobicContact CG1-CD1 3.9Å
292M90.5Very high92.5Very high7 Ų724.1 Ų24.13%0.03413%0.126CC..Hα-helixtrans-60.6-44.2174.1-79.6-72-64.900112.3R288 R289 G294 K295 K296 I344 L348 F380 L384 V388R288-M292 WeakPolarHBondContact O-CG 3.49Å; R288-M292 PolarHBondContact O-N 2.84Å; R289-M292 WeakPolarHBondContact O-CB 3.18Å; R289-M292 PolarHBondContact O-N 2.79Å; M292-G294 VanDerWaalsContact C-N 3.29Å; M292-G294 PolarHBondContact O-N 3.23Å; M292-K295 WeakPolarHBondContact O-CB 3.45Å; M292-K295 PolarHBondContact O-N 3.32Å; M292-K295 VanDerWaalsContact O-N 3.15Å; M292-K296 PolarHBondContact O-N 3.08Å; M292-I344 HydrophobicContact CG-CD1 4.08Å; M292-I344 HydrophobicContact SD-CD1 3.6Å; M292-I344 VanDerWaalsContact SD-CD1 3.6Å; M292-I344 HydrophobicContact SD-CG1 3.78Å; M292-L348 HydrophobicContact CE-CD1 4.26Å; M292-L348 HydrophobicContact CE-CD2 3.42Å; M292-L348 VanDerWaalsContact CE-CD2 3.42Å; M292-L348 HydrophobicContact CE-CG 4.1Å; M292-L348 HydrophobicContact SD-CD1 3.79Å; M292-L348 HydrophobicContact SD-CD2 3.91Å; M292-L348 HydrophobicContact SD-CG 3.9Å; M292-F380 HydrophobicContact CE-CZ 4.21Å; M292-F380 HydrophobicContact SD-CE2 4.33Å; M292-F380 HydrophobicContact SD-CZ 4.09Å; M292-L384 HydrophobicContact CG-CD1 3.68Å; M292-L384 HydrophobicContact CG-CD2 4.11Å; M292-L384 HydrophobicContact CG-CG 4.31Å; M292-V388 HydrophobicContact CE-CG2 3.66Å
293H93.8Very high92.9Very high3 Ų323.6 Ų23.61%0.01412%0.123CC..Hα-helixtrans-65.5-33.9173.8-80.4-78.6000112.1S253 V256 I257 R289 A290 K295 K296 L297 E387S253-H293 VanDerWaalsContact CA-ND1 3.28Å; S253-H293 WeakPolarHBondContact CA-ND1 3.34Å; S253-H293 WeakPolarHBondContact CB-ND1 3.14Å; S253-H293 PolarHBondContact OG-ND1 2.64Å; V256-H293 WeakPolarHBondContact CG1-CD2 3.17Å; I257-H293 HydrophobicContact CD1-CB 4.11Å; I257-H293 HydrophobicContact CG1-CB 3.91Å; R289-H293 PolarHBondContact O-CD2 3.39Å; R289-H293 VanDerWaalsContact O-CD2 3.27Å; R289-H293 PolarHBondContact O-N 3Å; A290-H293 PolarHBondContact O-N 2.95Å; H293-K295 VanDerWaalsContact C-N 3.33Å; H293-K295 PolarHBondContact O-N 3.49Å; H293-K296 WeakPolarHBondContact O-CB 3.14Å; H293-K296 PolarHBondContact O-N 3.15Å; H293-L297 WeakPolarHBondContact O-CG 3.33Å; H293-L297 PolarHBondContact O-N 2.91Å; H293-L297 VanDerWaalsContact O-N 3.12Å; H293-E387 IonicContact CE1-OE1 2.7Å; H293-E387 IonicContact NE2-OE1 3.95Å; H293-E387 PolarHBondContact NE2-OE1 2.89Å
294G94.6Very high93.1Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-58.7-42.4169.200000112.5A290 V291 M292 L297 G298 I299A290-G294 PolarHBondContact O-N 2.78Å; V291-G294 WeakPolarHBondContact O-CA 3.29Å; V291-G294 PolarHBondContact O-N 3.48Å; V291-G294 VanDerWaalsContact O-N 3.15Å; M292-G294 VanDerWaalsContact C-N 3.29Å; M292-G294 PolarHBondContact O-N 3.23Å; G294-L297 CarbonylContact O-C 3.49Å; G294-L297 WeakPolarHBondContact O-CA 3.42Å; G294-L297 WeakPolarHBondContact O-CB 3.19Å; G294-L297 PolarHBondContact O-N 3.18Å; G294-L297 VanDerWaalsContact O-N 3.14Å; G294-G298 PolarHBondContact O-N 3.13Å; G294-G298 VanDerWaalsContact O-N 3.16Å; G294-I299 WeakPolarHBondContact O-CB 3.29Å; G294-I299 PolarHBondContact O-N 3.29Å
295K91Very high93.4Very high32 Ų3225 Ų2514%0.13913%0.128CC..Hα-helixtrans-63.4-40.8174.1-75.5-78.3178.7169.80112.7V291 M292 H293 L297 G298 D300 I344 N345V291-K295 PolarHBondContact O-N 3.1Å; M292-K295 WeakPolarHBondContact O-CB 3.45Å; M292-K295 PolarHBondContact O-N 3.32Å; M292-K295 VanDerWaalsContact O-N 3.15Å; H293-K295 VanDerWaalsContact C-N 3.33Å; H293-K295 PolarHBondContact O-N 3.49Å; K295-L297 PolarHBondContact O-N 3.25Å; K295-G298 PolarHBondContact O-N 3.1Å; K295-D300 IonicContact NZ-OD1 2.83Å; K295-D300 PolarHBondContact NZ-OD1 2.91Å; K295-I344 HydrophobicContact CG-CD1 4.22Å; K295-N345 PolarHBondContact NZ-OD1 2.83Å; K295-N345 VanDerWaalsContact NZ-OD1 3.11Å
296K90.8Very high93.8Very high74 Ų7425.8 Ų25.832%0.32213%0.133SC..Hα-helixtrans-58.9-32.3173.4-69.2177.6176.9176.10111.8M292 H293 G298 D391M292-K296 PolarHBondContact O-N 3.08Å; H293-K296 WeakPolarHBondContact O-CB 3.14Å; H293-K296 PolarHBondContact O-N 3.15Å; K296-G298 VanDerWaalsContact C-N 3.34Å; K296-D391 IonicContact NZ-OD2 3.76Å; K296-D391 PolarHBondContact NZ-OD2 3.32Å
297L95Very high93.9Very high0 Ų025.8 Ų25.80%013%0.133CC..THydrogen-bonded Turntrans-82.3-6.7174.7-64.6175.1000114V236 K242 L250 F254 I257 H293 G294 K295 I299V236-L297 HydrophobicContact CG1-CD1 3.68Å; K242-L297 HydrophobicContact CB-CD2 4.2Å; K242-L297 HydrophobicContact CG-CB 4.49Å; K242-L297 HydrophobicContact CG-CD2 4.22Å; K242-L297 WeakPolarHBondContact CG-O 3.44Å; L250-L297 HydrophobicContact CB-CD2 3.99Å; L250-L297 HydrophobicContact CD2-CD2 4.21Å; L250-L297 HydrophobicContact CG-CD2 4.48Å; F254-L297 HydrophobicContact CD1-CD1 4.05Å; F254-L297 HydrophobicContact CD2-CD1 4.27Å; F254-L297 HydrophobicContact CD2-CD2 3.92Å; F254-L297 HydrophobicContact CE1-CD1 4Å; F254-L297 HydrophobicContact CE2-CD1 4.24Å; F254-L297 HydrophobicContact CE2-CD2 3.47Å; F254-L297 VanDerWaalsContact CE2-CD2 3.47Å; F254-L297 HydrophobicContact CG-CD1 4.19Å; F254-L297 HydrophobicContact CZ-CD1 4.1Å; F254-L297 HydrophobicContact CZ-CD2 3.83Å; I257-L297 HydrophobicContact CD1-CD1 3.64Å; H293-L297 WeakPolarHBondContact O-CG 3.33Å; H293-L297 PolarHBondContact O-N 2.91Å; H293-L297 VanDerWaalsContact O-N 3.12Å; G294-L297 CarbonylContact O-C 3.49Å; G294-L297 WeakPolarHBondContact O-CA 3.42Å; G294-L297 WeakPolarHBondContact O-CB 3.19Å; G294-L297 PolarHBondContact O-N 3.18Å; G294-L297 VanDerWaalsContact O-N 3.14Å; K295-L297 PolarHBondContact O-N 3.25Å; L297-I299 HydrophobicContact CB-CG1 4.48Å
298G92.7Very high94.1Very high48 Ų4825.8 Ų25.850%0.49513%0.133SC..THydrogen-bonded Turntrans89.417.9-179.500000114.7G294 K295 K296G294-G298 PolarHBondContact O-N 3.13Å; G294-G298 VanDerWaalsContact O-N 3.16Å; K295-G298 PolarHBondContact O-N 3.1Å; K296-G298 VanDerWaalsContact C-N 3.34Å
299I93.8Very high94.4Very high1 Ų125.1 Ų25.11%0.00514%0.135CC..  trans-87.8111.9175.4-49.2176000109.2V236 L239 G294 L297 F303V236-I299 HydrophobicContact CG1-CD1 4.38Å; L239-I299 HydrophobicContact CB-CD1 4.1Å; G294-I299 WeakPolarHBondContact O-CB 3.29Å; G294-I299 PolarHBondContact O-N 3.29Å; L297-I299 HydrophobicContact CB-CG1 4.48Å; I299-F303 HydrophobicContact CB-CD1 4.2Å; I299-F303 HydrophobicContact CB-CE1 4.47Å; I299-F303 HydrophobicContact CD1-CD1 4.26Å; I299-F303 HydrophobicContact CD1-CD2 3.78Å; I299-F303 HydrophobicContact CD1-CE1 4.3Å; I299-F303 HydrophobicContact CD1-CE2 3.82Å; I299-F303 HydrophobicContact CD1-CG 4.01Å; I299-F303 HydrophobicContact CD1-CZ 4.09Å; I299-F303 HydrophobicContact CG2-CB 3.75Å; I299-F303 HydrophobicContact CG2-CD1 3.57Å; I299-F303 HydrophobicContact CG2-CD2 4.49Å; I299-F303 HydrophobicContact CG2-CE1 4.31Å; I299-F303 HydrophobicContact CG2-CG 3.67Å
300D88.2Confident94.6Very high106 Ų10626.6 Ų26.657%0.56714%0.144SC*.  trans-98-16.5-174.9-80.1-47.6000114.8K295 H341K295-D300 IonicContact NZ-OD1 2.83Å; K295-D300 PolarHBondContact NZ-OD1 2.91Å; D300-H341 PolarHBondContact O-CE1 2.87Å
301Q90.8Very high94.7Very high97 Ų9726.7 Ų26.745%0.45314%0.144SC..SBendtrans-104.5158.6-179.166.4-80.36.200112F303Q301-F303 PolarHBondContact O-N 2.9Å
302A93.8Very high94.9Very high15 Ų1526.6 Ų26.612%0.12414%0.144CC..  trans-53.9124169.400000110.7Y305 E337 E338A302-Y305 HydrophobicContact CB-CD1 4.25Å; A302-Y305 HydrophobicContact CB-CE1 4.03Å; A302-Y305 WeakPolarHBondContact O-CE1 3.29Å; A302-E337 VanDerWaalsContact CA-CD 3.42Å; A302-E337 WeakPolarHBondContact CA-OE1 3.32Å; A302-E337 HydrophobicContact CB-CG 3.86Å; A302-E338 HydrophobicContact CB-CG 3.98Å
303F97.4Very high95.2Very high1 Ų131.9 Ų31.90%0.00417%0.169CC..  trans-140.1-27.6-172.382.1-81.8000112.8L239 I257 I299 Q301 Y305 K306 L307 E337L239-F303 HydrophobicContact CD1-CB 4.29Å; L239-F303 HydrophobicContact CD1-CD2 4.11Å; I257-F303 HydrophobicContact CD1-CE2 4.27Å; I257-F303 HydrophobicContact CD1-CZ 4Å; I257-F303 HydrophobicContact CG1-CZ 4.33Å; I257-F303 HydrophobicContact CG2-CE2 3.91Å; I257-F303 HydrophobicContact CG2-CZ 4.26Å; I299-F303 HydrophobicContact CB-CD1 4.2Å; I299-F303 HydrophobicContact CB-CE1 4.47Å; I299-F303 HydrophobicContact CD1-CD1 4.26Å; I299-F303 HydrophobicContact CD1-CD2 3.78Å; I299-F303 HydrophobicContact CD1-CE1 4.3Å; I299-F303 HydrophobicContact CD1-CE2 3.82Å; I299-F303 HydrophobicContact CD1-CG 4.01Å; I299-F303 HydrophobicContact CD1-CZ 4.09Å; I299-F303 HydrophobicContact CG2-CB 3.75Å; I299-F303 HydrophobicContact CG2-CD1 3.57Å; I299-F303 HydrophobicContact CG2-CD2 4.49Å; I299-F303 HydrophobicContact CG2-CE1 4.31Å; I299-F303 HydrophobicContact CG2-CG 3.67Å; Q301-F303 PolarHBondContact O-N 2.9Å; F303-Y305 VanDerWaalsContact C-N 3.25Å; F303-Y305 PolarHBondContact O-N 3.05Å; F303-K306 VanDerWaalsContact O-CB 3.25Å; F303-K306 WeakPolarHBondContact O-CB 3.47Å; F303-K306 PolarHBondContact O-N 3.11Å; F303-L307 HydrophobicContact CE2-CD1 4.25Å; F303-E337 WeakPolarHBondContact CD1-OE1 3.4Å; F303-E337 VanDerWaalsContact N-CD 3.3Å; F303-E337 PolarHBondContact N-OE1 2.73Å; F303-E337 PolarHBondContact N-OE2 2.49Å
304L97.4Very high95.3Very high0 Ų033.6 Ų33.60%018%0.177CC..G310 helixtrans-60.5-39.1-172.2-166.767.6000111.2I257 I261 L264 L287 A290 K306 L307 V333 E337I257-L304 HydrophobicContact CG2-CD1 4.11Å; I261-L304 HydrophobicContact CB-CD1 3.87Å; I261-L304 HydrophobicContact CB-CG 4.41Å; I261-L304 HydrophobicContact CD1-CD1 4.22Å; I261-L304 HydrophobicContact CD1-CD2 4.34Å; I261-L304 HydrophobicContact CD1-CG 3.78Å; I261-L304 HydrophobicContact CG1-CD1 4.03Å; I261-L304 HydrophobicContact CG1-CG 4.11Å; L264-L304 HydrophobicContact CD1-CD2 3.75Å; L287-L304 HydrophobicContact CB-CD2 4.5Å; L287-L304 HydrophobicContact CG-CD2 3.92Å; A290-L304 HydrophobicContact CB-CD1 3.76Å; A290-L304 HydrophobicContact CB-CD2 3.94Å; L304-K306 PolarHBondContact O-N 3.27Å; L304-L307 HydrophobicContact CD1-CD1 4.14Å; L304-L307 WeakPolarHBondContact O-CB 3.45Å; L304-L307 PolarHBondContact O-N 3.22Å; L304-V333 HydrophobicContact CB-CG1 3.93Å; L304-V333 HydrophobicContact CD2-CG1 3.94Å; L304-V333 HydrophobicContact CG-CG1 3.95Å; L304-E337 WeakPolarHBondContact CB-OE1 3.31Å; L304-E337 PolarHBondContact N-OE1 3.38Å; L304-E337 PolarHBondContact N-OE2 3.08Å; L304-E337 VanDerWaalsContact N-OE2 3.14Å
305Y97.4Very high95.3Very high43 Ų4334 Ų3417%0.16918%0.179CC..G310 helixtrans-59.5-28.4175.879-87.6000113.1A302 F303 L307 V308 R334A302-Y305 HydrophobicContact CB-CD1 4.25Å; A302-Y305 HydrophobicContact CB-CE1 4.03Å; A302-Y305 WeakPolarHBondContact O-CE1 3.29Å; F303-Y305 VanDerWaalsContact C-N 3.25Å; F303-Y305 PolarHBondContact O-N 3.05Å; Y305-L307 PolarHBondContact O-N 3.33Å; Y305-V308 WeakPolarHBondContact O-CB 2.97Å; Y305-V308 WeakPolarHBondContact O-CG2 3.43Å; Y305-V308 PolarHBondContact O-N 3.08Å; Y305-R334 HydrophobicContact CD1-CB 3.9Å; Y305-R334 HydrophobicContact CD1-CG 3.88Å; Y305-R334 HydrophobicContact CD2-CB 4.42Å; Y305-R334 HydrophobicContact CE1-CG 4.13Å; Y305-R334 HydrophobicContact CG-CB 3.79Å; Y305-R334 HydrophobicContact CG-CG 4.18Å
306K97.9Very high95.5Very high68 Ų6835.2 Ų35.230%0.29619%0.189SC..G310 helixtrans-72.5-11179.4-55.8175.2-177.2163.30113.1L239 F303 L304L239-K306 HydrophobicContact CD2-CD 4.25Å; F303-K306 VanDerWaalsContact O-CB 3.25Å; F303-K306 WeakPolarHBondContact O-CB 3.47Å; F303-K306 PolarHBondContact O-N 3.11Å; L304-K306 PolarHBondContact O-N 3.27Å
307L98.4Very high95.5Very high0 Ų037.1 Ų37.10%021%0.212CC..G310 helixtrans-89.7-16.6175.7-52.3179.1000111.9I232 K235 V236 L239 I257 I261 F303 L304 Y305 V310 V311I232-L307 HydrophobicContact CG2-CB 4.39Å; I232-L307 HydrophobicContact CG2-CD1 4.05Å; I232-L307 HydrophobicContact CG2-CD2 4.47Å; K235-L307 HydrophobicContact CB-CD2 3.78Å; K235-L307 HydrophobicContact CG-CD2 3.51Å; V236-L307 HydrophobicContact CG2-CD1 3.68Å; V236-L307 HydrophobicContact CG2-CD2 3.97Å; V236-L307 HydrophobicContact CG2-CG 4.5Å; L239-L307 HydrophobicContact CD1-CD2 4.13Å; I257-L307 HydrophobicContact CG2-CD1 3.56Å; I261-L307 HydrophobicContact CB-CB 4.5Å; I261-L307 HydrophobicContact CB-CD1 4.42Å; I261-L307 HydrophobicContact CG1-CB 3.82Å; I261-L307 HydrophobicContact CG1-CD1 4.45Å; I261-L307 HydrophobicContact CG2-CB 4.08Å; I261-L307 HydrophobicContact CG2-CD1 4.02Å; F303-L307 HydrophobicContact CE2-CD1 4.25Å; L304-L307 HydrophobicContact CD1-CD1 4.14Å; L304-L307 WeakPolarHBondContact O-CB 3.45Å; L304-L307 PolarHBondContact O-N 3.22Å; Y305-L307 PolarHBondContact O-N 3.33Å; L307-V310 WeakPolarHBondContact O-CB 3.41Å; L307-V310 PolarHBondContact O-N 2.95Å; L307-V311 PolarHBondContact O-N 2.8Å
308V98.1Very high95.3Very high0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-56.3-45178.9175.20000112.2I261 Y305 V310 V311 G312 E326 I329 E330 V333I261-V308 HydrophobicContact CD1-CG2 3.93Å; Y305-V308 WeakPolarHBondContact O-CB 2.97Å; Y305-V308 WeakPolarHBondContact O-CG2 3.43Å; Y305-V308 PolarHBondContact O-N 3.08Å; V308-V310 PolarHBondContact O-N 2.8Å; V308-V311 PolarHBondContact O-N 2.8Å; V308-G312 PolarHBondContact O-N 2.95Å; V308-E326 HydrophobicContact CG1-CG 4.39Å; V308-I329 HydrophobicContact CB-CG2 4.38Å; V308-I329 HydrophobicContact CG1-CB 3.86Å; V308-I329 HydrophobicContact CG1-CG2 3.57Å; V308-I329 HydrophobicContact CG2-CG2 3.83Å; V308-E330 HydrophobicContact CB-CG 3.94Å; V308-E330 HydrophobicContact CG1-CG 4.13Å; V308-E330 HydrophobicContact CG2-CG 4.44Å; V308-V333 HydrophobicContact CG2-CG2 4.33Å
309P98Very high95.3Very high30 Ų3040.7 Ų40.720%0.19521%0.211CC..Hα-helixtrans-62.5-30.1176.4-2435.2000113.5E313 E326 E330P309-E313 WeakPolarHBondContact O-CB 3.41Å; P309-E313 PolarHBondContact O-N 2.84Å; P309-E326 WeakPolarHBondContact CA-OE2 3.35Å; P309-E326 HydrophobicContact CB-CG 4.44Å; P309-E326 WeakPolarHBondContact CB-OE2 3.35Å; P309-E326 HydrophobicContact CG-CG 4.07Å; P309-E330 WeakPolarHBondContact CD-OE1 3.46Å; P309-E330 WeakPolarHBondContact CG-OE1 3.3Å
310V98.1Very high95.3Very high33 Ų3343.1 Ų43.120%0.223%0.227CC..Hα-helixtrans-71.3-46.1178.1-174.20000109.9P231 I232 K235 L307 V308 G312 E313 I314P231-V310 HydrophobicContact CB-CG1 4.02Å; I232-V310 HydrophobicContact CG1-CG1 4.07Å; K235-V310 HydrophobicContact CB-CG2 4.29Å; K235-V310 HydrophobicContact CG-CG2 4.1Å; L307-V310 WeakPolarHBondContact O-CB 3.41Å; L307-V310 PolarHBondContact O-N 2.95Å; V308-V310 PolarHBondContact O-N 2.8Å; V310-G312 VanDerWaalsContact C-N 3.32Å; V310-G312 PolarHBondContact O-N 2.85Å; V310-E313 PolarHBondContact O-N 2.95Å; V310-I314 HydrophobicContact CG1-CD1 4.14Å; V310-I314 VanDerWaalsContact O-CG1 3.31Å; V310-I314 WeakPolarHBondContact O-CG1 3.48Å; V310-I314 PolarHBondContact O-N 2.88Å
311V97.8Very high95.3Very high1 Ų140 Ų401%0.00621%0.209CC..Hα-helixtrans-58-47.6172.8178.50000110.3I232 I261 R262 A265 F266 L307 V308 E313 I314 M315 V322I232-V311 HydrophobicContact CD1-CG2 3.78Å; I232-V311 HydrophobicContact CG1-CG2 4.35Å; I261-V311 HydrophobicContact CG2-CG2 4.05Å; R262-V311 HydrophobicContact CG-CG1 4.19Å; A265-V311 HydrophobicContact CB-CB 4.33Å; A265-V311 HydrophobicContact CB-CG1 3.93Å; F266-V311 HydrophobicContact CE2-CG1 4.29Å; L307-V311 PolarHBondContact O-N 2.8Å; V308-V311 PolarHBondContact O-N 2.8Å; V311-E313 VanDerWaalsContact C-N 3.27Å; V311-E313 PolarHBondContact O-N 2.75Å; V311-I314 PolarHBondContact O-N 2.78Å; V311-M315 HydrophobicContact CG1-CG 4.29Å; V311-M315 WeakPolarHBondContact O-CB 3.49Å; V311-M315 VanDerWaalsContact O-CG 3.26Å; V311-M315 WeakPolarHBondContact O-CG 3.21Å; V311-M315 PolarHBondContact O-N 2.99Å; V311-M315 VanDerWaalsContact O-N 3.13Å; V311-V322 HydrophobicContact CG1-CG1 4.35Å
312G96.6Very high95.3Very high0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-57.2-39.6178.200000112.8V308 V310 V316V308-G312 PolarHBondContact O-N 2.95Å; V310-G312 VanDerWaalsContact C-N 3.32Å; V310-G312 PolarHBondContact O-N 2.85Å; G312-V316 VanDerWaalsContact O-CB 3.29Å; G312-V316 WeakPolarHBondContact O-CB 3.4Å; G312-V316 PolarHBondContact O-N 2.78Å; G312-V316 VanDerWaalsContact O-N 3.08Å
313E97.5Very high95.3Very high118 Ų11838 Ų3855%0.55120%0.196SC*.Hα-helixtrans-71-42.5179.1-166.666.6-156.700113.1P309 V310 V311 M315 V316 K323P309-E313 WeakPolarHBondContact O-CB 3.41Å; P309-E313 PolarHBondContact O-N 2.84Å; V310-E313 PolarHBondContact O-N 2.95Å; V311-E313 VanDerWaalsContact C-N 3.27Å; V311-E313 PolarHBondContact O-N 2.75Å; E313-M315 PolarHBondContact O-N 3.02Å; E313-V316 WeakPolarHBondContact O-CG1 3.4Å; E313-K323 IonicContact OE2-NZ 3.79Å
314I96Very high95.1Very high39 Ų3945.3 Ų45.320%0.223%0.231CC..Hα-helixtrans-60.7-40.5178.1-63.4164.7000110.1L228 P231 I232 V310 V311L228-I314 HydrophobicContact CD2-CG2 4.32Å; P231-I314 HydrophobicContact CB-CD1 3.98Å; P231-I314 HydrophobicContact CB-CG1 4.34Å; P231-I314 HydrophobicContact CG-CD1 4Å; P231-I314 HydrophobicContact CG-CG1 4.2Å; I232-I314 HydrophobicContact CD1-CD1 4.09Å; I232-I314 HydrophobicContact CG1-CD1 3.74Å; V310-I314 HydrophobicContact CG1-CD1 4.14Å; V310-I314 VanDerWaalsContact O-CG1 3.31Å; V310-I314 WeakPolarHBondContact O-CG1 3.48Å; V310-I314 PolarHBondContact O-N 2.88Å; V311-I314 PolarHBondContact O-N 2.78Å
315M94.5Very high94.9Very high8 Ų848.6 Ų48.64%0.03925%0.246CC..Hα-helixtrans-96.4-8.4-168.3-55-54-67.800114.3E67 L228 F266 V311 E313 S317 Y318 Y319E67-M315 WeakPolarHBondContact OE1-CE 3.21Å; L228-M315 HydrophobicContact CD2-SD 4.48Å; F266-M315 HydrophobicContact CE2-CB 4.29Å; F266-M315 HydrophobicContact CE2-CE 4.06Å; F266-M315 HydrophobicContact CE2-CG 3.74Å; F266-M315 HydrophobicContact CZ-CB 3.79Å; F266-M315 HydrophobicContact CZ-CE 3.75Å; F266-M315 HydrophobicContact CZ-CG 3.71Å; V311-M315 HydrophobicContact CG1-CG 4.29Å; V311-M315 WeakPolarHBondContact O-CB 3.49Å; V311-M315 VanDerWaalsContact O-CG 3.26Å; V311-M315 WeakPolarHBondContact O-CG 3.21Å; V311-M315 PolarHBondContact O-N 2.99Å; V311-M315 VanDerWaalsContact O-N 3.13Å; E313-M315 PolarHBondContact O-N 3.02Å; M315-S317 PolarHBondContact O-N 3.42Å; M315-Y318 PolarHBondContact O-N 2.81Å; M315-Y319 HydrophobicContact CB-CD2 4.46Å; M315-Y319 HydrophobicContact CE-CD2 3.71Å; M315-Y319 HydrophobicContact CE-CE2 3.88Å; M315-Y319 CarbonylContact O-C 3.49Å; M315-Y319 WeakPolarHBondContact O-CA 3.07Å; M315-Y319 PolarHBondContact O-N 2.87Å
316V94.8Very high94.8Very high57 Ų5748.8 Ų48.835%0.34525%0.248SC..THydrogen-bonded Turntrans-58.3-26.2-169.772.30000114.2G312 E313 Y318 K323G312-V316 VanDerWaalsContact O-CB 3.29Å; G312-V316 WeakPolarHBondContact O-CB 3.4Å; G312-V316 PolarHBondContact O-N 2.78Å; G312-V316 VanDerWaalsContact O-N 3.08Å; E313-V316 WeakPolarHBondContact O-CG1 3.4Å; V316-Y318 VanDerWaalsContact C-N 3.29Å; V316-Y318 PolarHBondContact O-N 3.43Å; V316-K323 HydrophobicContact CG2-CB 4.05Å; V316-K323 HydrophobicContact CG2-CG 4.27Å
317S91.4Very high94.5Very high115 Ų11549.1 Ų49.180%0.80426%0.264SS*.THydrogen-bonded Turntrans-64.1-33-176.260.80000113M315M315-S317 PolarHBondContact O-N 3.42Å
318Y91.6Very high94.1Very high111 Ų11150.8 Ų50.844%0.43527%0.271SS..THydrogen-bonded Turntrans-121.5-29.6180-163.7-98000112.7A44 M315 V316 P320A44-Y318 HydrophobicContact CB-CE1 3.91Å; M315-Y318 PolarHBondContact O-N 2.81Å; V316-Y318 VanDerWaalsContact C-N 3.29Å; V316-Y318 PolarHBondContact O-N 3.43Å; Y318-P320 WeakPolarHBondContact O-CD 3.44Å
319Y92.7Very high93.9Very high11 Ų1150.8 Ų50.84%0.04327%0.271CS..  trans-121.174.7-179.8-55.6-73.6000111.6A44 K46 E67 F266 M315 E321A44-Y319 PolarHBondContact O-OH 2.92Å; K46-Y319 HydrophobicContact CD-CD1 3.9Å; K46-Y319 HydrophobicContact CD-CE1 3.72Å; K46-Y319 HydrophobicContact CG-CD1 4.32Å; K46-Y319 HydrophobicContact CG-CE1 3.65Å; E67-Y319 HydrophobicContact CG-CE2 4.18Å; F266-Y319 HydrophobicContact CE1-CD1 4.09Å; F266-Y319 AromaticContact CE1-CD2 3.98Å; F266-Y319 HydrophobicContact CE1-CD2 3.98Å; F266-Y319 AromaticContact CE1-CG 3.63Å; F266-Y319 HydrophobicContact CE1-CG 3.63Å; F266-Y319 AromaticContact CZ-CD2 3.86Å; F266-Y319 HydrophobicContact CZ-CD2 3.86Å; F266-Y319 AromaticContact CZ-CG 3.96Å; F266-Y319 HydrophobicContact CZ-CG 3.96Å; M315-Y319 HydrophobicContact CB-CD2 4.46Å; M315-Y319 HydrophobicContact CE-CD2 3.71Å; M315-Y319 HydrophobicContact CE-CE2 3.88Å; M315-Y319 CarbonylContact O-C 3.49Å; M315-Y319 WeakPolarHBondContact O-CA 3.07Å; M315-Y319 PolarHBondContact O-N 2.87Å; Y319-E321 WeakPolarHBondContact CA-OE2 3.34Å; Y319-E321 WeakPolarHBondContact CD1-OE1 3.35Å; Y319-E321 PolarHBondContact O-N 3.41Å
320P92.4Very high93.9Very high52 Ų5251.8 Ų51.834%0.33827%0.273SS..Hα-helixtrans-68.2-17.2-17830.4-36.8000113.2Y318 V322 K323 Q324Y318-P320 WeakPolarHBondContact O-CD 3.44Å; P320-V322 VanDerWaalsContact C-N 3.3Å; P320-V322 PolarHBondContact O-N 2.54Å; P320-K323 PolarHBondContact O-N 2.91Å; P320-K323 VanDerWaalsContact O-N 3.14Å; P320-Q324 WeakPolarHBondContact O-CG 3.46Å; P320-Q324 PolarHBondContact O-N 3.36Å
321E88.4Confident93.6Very high40 Ų4056.1 Ų56.119%0.18729%0.289CS..Hα-helixtrans-61.1-35.2-174.365.9-85.3-162.300113.1K46 Y319 K323 Q324 Q325K46-E321 IonicContact NZ-OE1 3.4Å; K46-E321 PolarHBondContact NZ-OE1 3.4Å; Y319-E321 WeakPolarHBondContact CA-OE2 3.34Å; Y319-E321 WeakPolarHBondContact CD1-OE1 3.35Å; Y319-E321 PolarHBondContact O-N 3.41Å; E321-K323 VanDerWaalsContact C-N 3.33Å; E321-K323 PolarHBondContact O-N 2.96Å; E321-Q324 PolarHBondContact O-N 3.33Å; E321-Q325 VanDerWaalsContact O-CB 3.31Å; E321-Q325 WeakPolarHBondContact O-CB 3.36Å; E321-Q325 WeakPolarHBondContact O-CG 3.47Å; E321-Q325 PolarHBondContact O-N 2.89Å
322V92.3Very high93.2Very high0 Ų056.3 Ų56.30%029%0.291CS..Hα-helixtrans-65.5-41.2178.21790000110.1A265 F266 V311 P320 Q325 E326 I329A265-V322 HydrophobicContact CB-CG1 4.04Å; F266-V322 HydrophobicContact CD1-CG2 3.69Å; F266-V322 HydrophobicContact CD2-CG2 4.33Å; F266-V322 HydrophobicContact CE1-CG2 3.69Å; F266-V322 HydrophobicContact CE2-CG2 4.34Å; F266-V322 HydrophobicContact CG-CG2 4.06Å; F266-V322 HydrophobicContact CZ-CG2 4.05Å; V311-V322 HydrophobicContact CG1-CG1 4.35Å; P320-V322 VanDerWaalsContact C-N 3.3Å; P320-V322 PolarHBondContact O-N 2.54Å; V322-Q325 CarbonylContact O-C 3.53Å; V322-E326 WeakPolarHBondContact O-CA 3.37Å; V322-E326 PolarHBondContact O-N 3.15Å; V322-E326 VanDerWaalsContact O-N 3.11Å; V322-I329 HydrophobicContact CG1-CD1 4.1Å
323K93.8Very high93.2Very high72 Ų7256.3 Ų56.331%0.31329%0.291SS..Hα-helixtrans-71-39.6177.9-169.364.5175.7176.70112.1E313 V316 P320 E321 Q325 E326E313-K323 IonicContact OE2-NZ 3.79Å; V316-K323 HydrophobicContact CG2-CB 4.05Å; V316-K323 HydrophobicContact CG2-CG 4.27Å; P320-K323 PolarHBondContact O-N 2.91Å; P320-K323 VanDerWaalsContact O-N 3.14Å; E321-K323 VanDerWaalsContact C-N 3.33Å; E321-K323 PolarHBondContact O-N 2.96Å; K323-Q325 VanDerWaalsContact C-N 3.32Å; K323-Q325 PolarHBondContact O-N 3.42Å; K323-E326 WeakPolarHBondContact CD-OE2 3.37Å; K323-E326 WeakPolarHBondContact CE-OE2 3.42Å; K323-E326 IonicContact NZ-OE2 3.9Å; K323-E326 PolarHBondContact NZ-OE2 2.91Å; K323-E326 WeakPolarHBondContact O-CB 3.45Å; K323-E326 PolarHBondContact O-N 2.95Å
324Q92.4Very high93.1Very high154 Ų15456 Ų5672%0.7228%0.284SS*.Hα-helixtrans-65.9-35.6177.3-69.9172.48.900112.1P320 E321P320-Q324 WeakPolarHBondContact O-CG 3.46Å; P320-Q324 PolarHBondContact O-N 3.36Å; E321-Q324 PolarHBondContact O-N 3.33Å
325Q92.1Very high92.8Very high68 Ų6857.8 Ų57.832%0.31830%0.297SS..THydrogen-bonded Turntrans-96.714.1179.9-61.5-175.974.600113.4G269 E321 V322 K323 A327 F328 I329G269-Q325 PolarHBondContact O-NE2 2.86Å; G269-Q325 PolarHBondContact O-OE1 2.94Å; E321-Q325 VanDerWaalsContact O-CB 3.31Å; E321-Q325 WeakPolarHBondContact O-CB 3.36Å; E321-Q325 WeakPolarHBondContact O-CG 3.47Å; E321-Q325 PolarHBondContact O-N 2.89Å; V322-Q325 CarbonylContact O-C 3.53Å; K323-Q325 VanDerWaalsContact C-N 3.32Å; K323-Q325 PolarHBondContact O-N 3.42Å; Q325-A327 PolarHBondContact O-N 3.16Å; Q325-F328 WeakPolarHBondContact O-CA 3.18Å; Q325-F328 WeakPolarHBondContact O-CB 3.41Å; Q325-F328 PolarHBondContact O-N 3.48Å; Q325-I329 HydrophobicContact CB-CD1 3.98Å; Q325-I329 HydrophobicContact CB-CG1 4.25Å; Q325-I329 WeakPolarHBondContact O-CG1 3.39Å; Q325-I329 PolarHBondContact O-N 2.81Å
326E95.5Very high92.6Very high47 Ų4758.1 Ų58.122%0.2230%0.299CS..Hα-helixtrans-50-54.1-173.1-178.5-179.511000112.4V308 P309 V322 K323 F328 I329 E330V308-E326 HydrophobicContact CG1-CG 4.39Å; P309-E326 WeakPolarHBondContact CA-OE2 3.35Å; P309-E326 HydrophobicContact CB-CG 4.44Å; P309-E326 WeakPolarHBondContact CB-OE2 3.35Å; P309-E326 HydrophobicContact CG-CG 4.07Å; V322-E326 WeakPolarHBondContact O-CA 3.37Å; V322-E326 PolarHBondContact O-N 3.15Å; V322-E326 VanDerWaalsContact O-N 3.11Å; K323-E326 WeakPolarHBondContact CD-OE2 3.37Å; K323-E326 WeakPolarHBondContact CE-OE2 3.42Å; K323-E326 IonicContact NZ-OE2 3.9Å; K323-E326 PolarHBondContact NZ-OE2 2.91Å; K323-E326 WeakPolarHBondContact O-CB 3.45Å; K323-E326 PolarHBondContact O-N 2.95Å; E326-F328 PolarHBondContact O-N 3.37Å; E326-I329 PolarHBondContact O-N 3.38Å; E326-E330 HydrophobicContact CG-CG 4.34Å; E326-E330 WeakPolarHBondContact O-CB 3.34Å; E326-E330 WeakPolarHBondContact O-CG 3.36Å; E326-E330 PolarHBondContact O-N 2.92Å
327A92.5Very high92.5Very high76 Ų7655.4 Ų55.463%0.62828%0.282SS*.Hα-helixtrans-61.2-33-178.200000113.2Q325 K331Q325-A327 PolarHBondContact O-N 3.16Å; A327-K331 WeakPolarHBondContact O-CB 3.4Å; A327-K331 PolarHBondContact O-N 3.14Å
328F89.6Confident92.5Very high34 Ų3453.7 Ų53.715%0.14926%0.262CS..Hα-helixtrans-69.7-54.1175.8171.4-106.9000110.4I268 L273 Q325 E326 E330 K331 V332 H562 F582I268-F328 HydrophobicContact CG2-CD1 4.16Å; I268-F328 HydrophobicContact CG2-CE1 3.75Å; L273-F328 HydrophobicContact CD2-CZ 4.37Å; Q325-F328 WeakPolarHBondContact O-CA 3.18Å; Q325-F328 WeakPolarHBondContact O-CB 3.41Å; Q325-F328 PolarHBondContact O-N 3.48Å; E326-F328 PolarHBondContact O-N 3.37Å; F328-E330 VanDerWaalsContact C-N 3.33Å; F328-E330 PolarHBondContact O-N 2.92Å; F328-K331 WeakPolarHBondContact O-CB 3.36Å; F328-K331 PolarHBondContact O-N 3.45Å; F328-K331 VanDerWaalsContact O-N 3.1Å; F328-V332 HydrophobicContact CD2-CG2 4.46Å; F328-V332 HydrophobicContact CE1-CG2 4.33Å; F328-V332 HydrophobicContact CE2-CG2 4.16Å; F328-V332 HydrophobicContact CZ-CG2 4.11Å; F328-V332 WeakPolarHBondContact O-CG2 3.48Å; F328-V332 PolarHBondContact O-N 2.85Å; F328-H562 HydrophobicContact CD2-CB 4.13Å; F328-H562 AromaticContact CD2-ND1 3.91Å; F328-H562 HydrophobicContact CE2-CB 3.36Å; F328-H562 AromaticContact CE2-CD2 3.85Å; F328-H562 AromaticContact CE2-CG 3.34Å; F328-H562 AromaticContact CE2-ND1 3.66Å; F328-H562 HydrophobicContact CZ-CB 3.56Å; F328-F582 HydrophobicContact CD2-CE2 4.35Å; F328-F582 HydrophobicContact CE1-CE2 4.5Å; F328-F582 HydrophobicContact CE1-CZ 4.28Å; F328-F582 AromaticContact CE2-CD2 3.94Å; F328-F582 HydrophobicContact CE2-CD2 3.94Å; F328-F582 AromaticContact CE2-CE2 3.13Å; F328-F582 HydrophobicContact CE2-CE2 3.13Å; F328-F582 AromaticContact CE2-CZ 3.64Å; F328-F582 HydrophobicContact CE2-CZ 3.64Å; F328-F582 HydrophobicContact CZ-CD2 4.41Å; F328-F582 AromaticContact CZ-CE2 3.24Å; F328-F582 HydrophobicContact CZ-CE2 3.24Å; F328-F582 AromaticContact CZ-CZ 3.32Å; F328-F582 HydrophobicContact CZ-CZ 3.32Å
329I94.6Very high92.1Very high0 Ų055.8 Ų55.80%027%0.269CS..Hα-helixtrans-58.8-45.7-179.6-62.3164.3000110.4A265 I268 V308 V322 Q325 E326 K331 V332 V333A265-I329 HydrophobicContact CB-CG2 4.25Å; A265-I329 WeakPolarHBondContact O-CD1 3.49Å; I268-I329 HydrophobicContact CB-CG1 4.33Å; I268-I329 HydrophobicContact CB-CG2 4.39Å; I268-I329 HydrophobicContact CD1-CG2 4.48Å; I268-I329 HydrophobicContact CG2-CB 4.35Å; I268-I329 HydrophobicContact CG2-CG1 3.95Å; I268-I329 HydrophobicContact CG2-CG2 4.41Å; V308-I329 HydrophobicContact CB-CG2 4.38Å; V308-I329 HydrophobicContact CG1-CB 3.86Å; V308-I329 HydrophobicContact CG1-CG2 3.57Å; V308-I329 HydrophobicContact CG2-CG2 3.83Å; V322-I329 HydrophobicContact CG1-CD1 4.1Å; Q325-I329 HydrophobicContact CB-CD1 3.98Å; Q325-I329 HydrophobicContact CB-CG1 4.25Å; Q325-I329 WeakPolarHBondContact O-CG1 3.39Å; Q325-I329 PolarHBondContact O-N 2.81Å; E326-I329 PolarHBondContact O-N 3.38Å; I329-K331 VanDerWaalsContact C-N 3.32Å; I329-K331 PolarHBondContact O-N 3.4Å; I329-V332 PolarHBondContact O-N 2.85Å; I329-V333 HydrophobicContact CG2-CG2 4.29Å; I329-V333 WeakPolarHBondContact O-CG2 3.45Å; I329-V333 PolarHBondContact O-N 3.25Å
330E97Very high91.7Very high51 Ų5155.4 Ų55.424%0.23827%0.267CS..Hα-helixtrans-55.1-47.2175.1-78.1-166.815000111.7V308 P309 E326 F328 V332 V333 R334V308-E330 HydrophobicContact CB-CG 3.94Å; V308-E330 HydrophobicContact CG1-CG 4.13Å; V308-E330 HydrophobicContact CG2-CG 4.44Å; P309-E330 WeakPolarHBondContact CD-OE1 3.46Å; P309-E330 WeakPolarHBondContact CG-OE1 3.3Å; E326-E330 HydrophobicContact CG-CG 4.34Å; E326-E330 WeakPolarHBondContact O-CB 3.34Å; E326-E330 WeakPolarHBondContact O-CG 3.36Å; E326-E330 PolarHBondContact O-N 2.92Å; F328-E330 VanDerWaalsContact C-N 3.33Å; F328-E330 PolarHBondContact O-N 2.92Å; E330-V332 VanDerWaalsContact C-N 3.33Å; E330-V332 PolarHBondContact O-N 3Å; E330-V333 PolarHBondContact O-N 3.39Å; E330-R334 WeakPolarHBondContact O-CB 3.09Å; E330-R334 PolarHBondContact O-N 3.46Å
331K91.8Very high91.3Very high124 Ų12454.1 Ų54.154%0.53926%0.257SS..Hα-helixtrans-61.5-42.5179.7-176.5180178.5-176.60111.4A327 F328 I329 T335A327-K331 WeakPolarHBondContact O-CB 3.4Å; A327-K331 PolarHBondContact O-N 3.14Å; F328-K331 WeakPolarHBondContact O-CB 3.36Å; F328-K331 PolarHBondContact O-N 3.45Å; F328-K331 VanDerWaalsContact O-N 3.1Å; I329-K331 VanDerWaalsContact C-N 3.32Å; I329-K331 PolarHBondContact O-N 3.4Å; K331-T335 WeakPolarHBondContact O-CB 3.31Å; K331-T335 PolarHBondContact O-N 3.41Å; K331-T335 PolarHBondContact O-OG1 2.72Å
332V90.6Very high90.8Very high6 Ų659.5 Ų59.54%0.03628%0.282CS..Hα-helixtrans-64.2-53.5178.8177.60000111I268 P274 F328 I329 E330 R334 T335 E336 F582I268-V332 HydrophobicContact CD1-CB 4.2Å; I268-V332 HydrophobicContact CD1-CG1 3.73Å; I268-V332 HydrophobicContact CG1-CG1 4.21Å; I268-V332 HydrophobicContact CG2-CB 4.06Å; I268-V332 HydrophobicContact CG2-CG1 4.16Å; I268-V332 HydrophobicContact CG2-CG2 4.01Å; P274-V332 HydrophobicContact CG-CG1 3.97Å; F328-V332 HydrophobicContact CD2-CG2 4.46Å; F328-V332 HydrophobicContact CE1-CG2 4.33Å; F328-V332 HydrophobicContact CE2-CG2 4.16Å; F328-V332 HydrophobicContact CZ-CG2 4.11Å; F328-V332 WeakPolarHBondContact O-CG2 3.48Å; F328-V332 PolarHBondContact O-N 2.85Å; I329-V332 PolarHBondContact O-N 2.85Å; E330-V332 VanDerWaalsContact C-N 3.33Å; E330-V332 PolarHBondContact O-N 3Å; V332-R334 VanDerWaalsContact C-N 3.35Å; V332-R334 PolarHBondContact O-N 2.6Å; V332-T335 PolarHBondContact O-N 3.22Å; V332-E336 PolarHBondContact O-N 2.74Å; V332-F582 HydrophobicContact CB-CE1 3.96Å; V332-F582 HydrophobicContact CB-CZ 4.34Å; V332-F582 HydrophobicContact CG1-CD1 4.19Å; V332-F582 HydrophobicContact CG1-CE1 3.53Å; V332-F582 HydrophobicContact CG1-CZ 4.24Å; V332-F582 HydrophobicContact CG2-CD1 3.8Å; V332-F582 HydrophobicContact CG2-CD2 4.38Å; V332-F582 HydrophobicContact CG2-CE1 3.18Å; V332-F582 HydrophobicContact CG2-CE2 3.93Å; V332-F582 HydrophobicContact CG2-CG 4.3Å; V332-F582 HydrophobicContact CG2-CZ 3.17Å
333V96.1Very high90Very high0 Ų061.9 Ų61.90%030%0.296CS..Hα-helixtrans-59.2-48.6-179.7174.20000110.1I261 I268 L287 L304 V308 I329 E330 T335 E336 E337I261-V333 HydrophobicContact CD1-CG1 4.38Å; I261-V333 HydrophobicContact CD1-CG2 4.34Å; I268-V333 HydrophobicContact CD1-CG2 3.7Å; L287-V333 HydrophobicContact CD1-CG1 4.2Å; L304-V333 HydrophobicContact CB-CG1 3.93Å; L304-V333 HydrophobicContact CD2-CG1 3.94Å; L304-V333 HydrophobicContact CG-CG1 3.95Å; V308-V333 HydrophobicContact CG2-CG2 4.33Å; I329-V333 HydrophobicContact CG2-CG2 4.29Å; I329-V333 WeakPolarHBondContact O-CG2 3.45Å; I329-V333 PolarHBondContact O-N 3.25Å; E330-V333 PolarHBondContact O-N 3.39Å; V333-T335 PolarHBondContact O-N 3.43Å; V333-E336 PolarHBondContact O-N 3.23Å; V333-E337 WeakPolarHBondContact O-CB 3.41Å; V333-E337 PolarHBondContact O-N 2.98Å
334R95.6Very high89.4Confident110 Ų11058.4 Ų58.442%0.41528%0.281SS..Hα-helixtrans-60.4-45.1-179.1-177.1176.2174.2-174.2-2.9112.6Y305 E330 V332 E337 E338Y305-R334 HydrophobicContact CD1-CB 3.9Å; Y305-R334 HydrophobicContact CD1-CG 3.88Å; Y305-R334 HydrophobicContact CD2-CB 4.42Å; Y305-R334 HydrophobicContact CE1-CG 4.13Å; Y305-R334 HydrophobicContact CG-CB 3.79Å; Y305-R334 HydrophobicContact CG-CG 4.18Å; E330-R334 WeakPolarHBondContact O-CB 3.09Å; E330-R334 PolarHBondContact O-N 3.46Å; V332-R334 VanDerWaalsContact C-N 3.35Å; V332-R334 PolarHBondContact O-N 2.6Å; R334-E337 PolarHBondContact O-N 2.93Å; R334-E338 HydrophobicContact CG-CG 4.23Å; R334-E338 IonicContact CZ-OE1 3.4Å; R334-E338 IonicContact NE-OE1 3.77Å; R334-E338 PolarHBondContact NE-OE1 3.28Å; R334-E338 IonicContact NH2-OE1 2.84Å; R334-E338 PolarHBondContact NH2-OE1 3.42Å; R334-E338 WeakPolarHBondContact O-CB 3.49Å; R334-E338 WeakPolarHBondContact O-CG 3.12Å; R334-E338 PolarHBondContact O-N 2.94Å
335T90.2Very high88.9Confident77 Ų7755.1 Ų55.147%0.47227%0.269SS..Hα-helixtrans-64.2-43.5-177.4-57.90000111.2K331 V332 V333 R339K331-T335 WeakPolarHBondContact O-CB 3.31Å; K331-T335 PolarHBondContact O-N 3.41Å; K331-T335 PolarHBondContact O-OG1 2.72Å; V332-T335 PolarHBondContact O-N 3.22Å; V333-T335 PolarHBondContact O-N 3.43Å; T335-R339 WeakPolarHBondContact O-CB 3.28Å; T335-R339 PolarHBondContact O-N 3.26Å; T335-R339 VanDerWaalsContact O-N 3.14Å
336E89.2Confident88.3Confident16 Ų1657.1 Ų57.18%0.07528%0.281CS..Hα-helixtrans-72-36.3179-173.767-162.600111.6P274 R284 L287 R288 V332 V333 F340P274-E336 HydrophobicContact CB-CG 4.04Å; P274-E336 HydrophobicContact CG-CG 4.39Å; R284-E336 IonicContact CZ-OE1 2.75Å; R284-E336 IonicContact NE-OE1 2.8Å; R284-E336 PolarHBondContact NE-OE1 3.16Å; R284-E336 IonicContact NH2-OE1 3.64Å; R284-E336 PolarHBondContact NH2-OE1 2.92Å; R284-E336 IonicContact NH2-OE2 2.7Å; R284-E336 PolarHBondContact NH2-OE2 3.12Å; L287-E336 HydrophobicContact CD1-CB 3.77Å; L287-E336 HydrophobicContact CD1-CG 3.88Å; L287-E336 HydrophobicContact CD2-CB 4.42Å; L287-E336 HydrophobicContact CD2-CG 4.01Å; R288-E336 IonicContact NH2-OE1 2.9Å; V332-E336 PolarHBondContact O-N 2.74Å; V333-E336 PolarHBondContact O-N 3.23Å; E336-F340 WeakPolarHBondContact O-CB 3.28Å; E336-F340 PolarHBondContact O-N 2.77Å
337E92.9Very high87.6Confident0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-64.2-49.1174.4177.5174.9-150.400112.2L287 V291 A302 F303 L304 V333 R334 R339 F340 H341L287-E337 HydrophobicContact CD2-CB 4.3Å; V291-E337 HydrophobicContact CG2-CB 4.4Å; V291-E337 HydrophobicContact CG2-CG 3.77Å; A302-E337 VanDerWaalsContact CA-CD 3.42Å; A302-E337 WeakPolarHBondContact CA-OE1 3.32Å; A302-E337 HydrophobicContact CB-CG 3.86Å; F303-E337 WeakPolarHBondContact CD1-OE1 3.4Å; F303-E337 VanDerWaalsContact N-CD 3.3Å; F303-E337 PolarHBondContact N-OE1 2.73Å; F303-E337 PolarHBondContact N-OE2 2.49Å; L304-E337 WeakPolarHBondContact CB-OE1 3.31Å; L304-E337 PolarHBondContact N-OE1 3.38Å; L304-E337 PolarHBondContact N-OE2 3.08Å; L304-E337 VanDerWaalsContact N-OE2 3.14Å; V333-E337 WeakPolarHBondContact O-CB 3.41Å; V333-E337 PolarHBondContact O-N 2.98Å; R334-E337 PolarHBondContact O-N 2.93Å; E337-R339 VanDerWaalsContact C-N 3.34Å; E337-R339 PolarHBondContact O-N 3.13Å; E337-F340 PolarHBondContact O-N 2.77Å; E337-H341 PolarHBondContact O-CD2 3.02Å; E337-H341 PolarHBondContact O-N 3.37Å
338E90.5Very high87.2Confident79 Ų7952.8 Ų52.837%0.36925%0.249SC..Hα-helixtrans-60.3-43.9177.4-75.5176.7170.100111.1A302 R334 F340 H341 E342A302-E338 HydrophobicContact CB-CG 3.98Å; R334-E338 HydrophobicContact CG-CG 4.23Å; R334-E338 IonicContact CZ-OE1 3.4Å; R334-E338 IonicContact NE-OE1 3.77Å; R334-E338 PolarHBondContact NE-OE1 3.28Å; R334-E338 IonicContact NH2-OE1 2.84Å; R334-E338 PolarHBondContact NH2-OE1 3.42Å; R334-E338 WeakPolarHBondContact O-CB 3.49Å; R334-E338 WeakPolarHBondContact O-CG 3.12Å; R334-E338 PolarHBondContact O-N 2.94Å; E338-F340 VanDerWaalsContact C-N 3.34Å; E338-F340 PolarHBondContact O-N 3.47Å; E338-H341 WeakPolarHBondContact O-CB 3.03Å; E338-H341 PolarHBondContact O-N 3.47Å; E338-E342 PolarHBondContact O-N 2.85Å
339R83.8Confident87.1Confident154 Ų15454.3 Ų54.358%0.58126%0.264SS*.Hα-helixtrans-62.5-39.9175.8-174.7-178.9-179.1-177.11.8112.4T335 E337 E342T335-R339 WeakPolarHBondContact O-CB 3.28Å; T335-R339 PolarHBondContact O-N 3.26Å; T335-R339 VanDerWaalsContact O-N 3.14Å; E337-R339 VanDerWaalsContact C-N 3.34Å; E337-R339 PolarHBondContact O-N 3.13Å; R339-E342 PolarHBondContact O-N 2.88Å
340F84.4Confident86.6Confident3 Ų356.6 Ų56.61%0.01328%0.276CS..Hα-helixtrans-70.5-38.6178.3-176.1-127.9000111.8R288 V291 E336 E337 E338 E342 T343 I344 P381 L384R288-F340 HydrophobicContact CB-CD1 3.89Å; R288-F340 HydrophobicContact CB-CE1 3.53Å; R288-F340 HydrophobicContact CB-CE2 4.34Å; R288-F340 HydrophobicContact CB-CG 4.42Å; R288-F340 HydrophobicContact CB-CZ 3.79Å; R288-F340 HydrophobicContact CG-CB 4.39Å; R288-F340 HydrophobicContact CG-CD1 3.64Å; R288-F340 HydrophobicContact CG-CD2 3.88Å; R288-F340 HydrophobicContact CG-CE1 3.75Å; R288-F340 HydrophobicContact CG-CE2 4.02Å; R288-F340 HydrophobicContact CG-CG 3.7Å; R288-F340 HydrophobicContact CG-CZ 3.95Å; V291-F340 HydrophobicContact CB-CD1 4.19Å; V291-F340 HydrophobicContact CB-CE1 4.41Å; V291-F340 HydrophobicContact CG1-CD1 4.02Å; V291-F340 HydrophobicContact CG1-CE1 4.35Å; E336-F340 WeakPolarHBondContact O-CB 3.28Å; E336-F340 PolarHBondContact O-N 2.77Å; E337-F340 PolarHBondContact O-N 2.77Å; E338-F340 VanDerWaalsContact C-N 3.34Å; E338-F340 PolarHBondContact O-N 3.47Å; F340-E342 PolarHBondContact O-N 3.48Å; F340-E342 VanDerWaalsContact O-N 3.16Å; F340-T343 PolarHBondContact O-N 2.85Å; F340-T343 PolarHBondContact O-OG1 3.01Å; F340-I344 HydrophobicContact CD1-CB 4.4Å; F340-I344 HydrophobicContact CD1-CD1 3.97Å; F340-I344 HydrophobicContact CD1-CG1 4.43Å; F340-I344 HydrophobicContact CE1-CB 4.13Å; F340-I344 HydrophobicContact CE1-CD1 3.36Å; F340-I344 HydrophobicContact CE1-CG1 3.73Å; F340-I344 HydrophobicContact CE2-CB 4.39Å; F340-I344 HydrophobicContact CE2-CG1 4.45Å; F340-I344 HydrophobicContact CZ-CB 4.11Å; F340-I344 HydrophobicContact CZ-CD1 3.9Å; F340-I344 HydrophobicContact CZ-CG1 3.73Å; F340-I344 PolarHBondContact O-N 2.87Å; F340-P381 HydrophobicContact CE2-CG 4.1Å; F340-P381 HydrophobicContact CZ-CG 4.26Å; F340-L384 HydrophobicContact CE1-CD1 4.31Å; F340-L384 HydrophobicContact CZ-CD1 3.81Å
341H84Confident86.2Confident25 Ų2554.2 Ų54.212%0.11626%0.264CS..Hα-helixtrans-55.3-30.6175.1-91.7-61.3000113.7D300 E337 E338 T343D300-H341 PolarHBondContact O-CE1 2.87Å; E337-H341 PolarHBondContact O-CD2 3.02Å; E337-H341 PolarHBondContact O-N 3.37Å; E338-H341 WeakPolarHBondContact O-CB 3.03Å; E338-H341 PolarHBondContact O-N 3.47Å; H341-T343 PolarHBondContact O-N 2.97Å
342E77.9Confident86.1Confident153 Ų15352.2 Ų52.272%0.71526%0.259SS*.Hα-helixtrans-63.6-26.6175-66.1179.2170.500113.1E338 R339 F340E338-E342 PolarHBondContact O-N 2.85Å; R339-E342 PolarHBondContact O-N 2.88Å; F340-E342 PolarHBondContact O-N 3.48Å; F340-E342 VanDerWaalsContact O-N 3.16Å
343T75.4Confident86.1Confident50 Ų5057 Ų5731%0.30729%0.285SS..Hα-helixtrans-111-25-172.959.10000113.8F340 H341 N345 D346 G347F340-T343 PolarHBondContact O-N 2.85Å; F340-T343 PolarHBondContact O-OG1 3.01Å; H341-T343 PolarHBondContact O-N 2.97Å; T343-N345 PolarHBondContact O-N 3.18Å; T343-D346 PolarHBondContact O-N 2.84Å; T343-G347 PolarHBondContact O-N 2.9Å; T343-G347 VanDerWaalsContact O-N 3.17Å
344I81.5Confident85.8Confident0 Ų058.4 Ų58.40%029%0.293CS..Hα-helixtrans-62.7-39.5-171.1-162.1179.2000113V291 M292 K295 F340 G347 L348 F380V291-I344 HydrophobicContact CG1-CD1 3.9Å; M292-I344 HydrophobicContact CG-CD1 4.08Å; M292-I344 HydrophobicContact SD-CD1 3.6Å; M292-I344 VanDerWaalsContact SD-CD1 3.6Å; M292-I344 HydrophobicContact SD-CG1 3.78Å; K295-I344 HydrophobicContact CG-CD1 4.22Å; F340-I344 HydrophobicContact CD1-CB 4.4Å; F340-I344 HydrophobicContact CD1-CD1 3.97Å; F340-I344 HydrophobicContact CD1-CG1 4.43Å; F340-I344 HydrophobicContact CE1-CB 4.13Å; F340-I344 HydrophobicContact CE1-CD1 3.36Å; F340-I344 HydrophobicContact CE1-CG1 3.73Å; F340-I344 HydrophobicContact CE2-CB 4.39Å; F340-I344 HydrophobicContact CE2-CG1 4.45Å; F340-I344 HydrophobicContact CZ-CB 4.11Å; F340-I344 HydrophobicContact CZ-CD1 3.9Å; F340-I344 HydrophobicContact CZ-CG1 3.73Å; F340-I344 PolarHBondContact O-N 2.87Å; I344-G347 PolarHBondContact O-N 2.75Å; I344-L348 HydrophobicContact CG1-CD1 4.11Å; I344-L348 HydrophobicContact CG1-CG 4.41Å; I344-L348 VanDerWaalsContact O-CB 3.29Å; I344-L348 WeakPolarHBondContact O-CB 3.35Å; I344-L348 PolarHBondContact O-N 2.76Å; I344-F380 HydrophobicContact CG1-CE2 4.25Å
345N81.3Confident85.5Confident85 Ų8553.4 Ų53.446%0.45528%0.275SS..Hα-helixtrans-67.2-42-175.6-67.6-29.6000111.1K295 T343 S349K295-N345 PolarHBondContact NZ-OD1 2.83Å; K295-N345 VanDerWaalsContact NZ-OD1 3.11Å; T343-N345 PolarHBondContact O-N 3.18Å; N345-S349 WeakPolarHBondContact O-CB 3.32Å; N345-S349 PolarHBondContact O-N 2.82Å
346D79.7Confident85.4Confident109 Ų10952.6 Ų52.658%0.58328%0.276SS*.Hα-helixtrans-67-42.8178.4-69-13.1000110.7T343 M350T343-D346 PolarHBondContact O-N 2.84Å; D346-M350 WeakPolarHBondContact O-CB 3.21Å; D346-M350 PolarHBondContact O-N 3.41Å
347G81.4Confident85.4Confident0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-64.6-46.1176.700000113.2T343 I344 M350 L351T343-G347 PolarHBondContact O-N 2.9Å; T343-G347 VanDerWaalsContact O-N 3.17Å; I344-G347 PolarHBondContact O-N 2.75Å; G347-M350 PolarHBondContact O-N 3Å; G347-L351 WeakPolarHBondContact O-CB 3.48Å; G347-L351 PolarHBondContact O-N 3.27Å
348L84.2Confident85.2Confident32 Ų3257.7 Ų57.717%0.16830%0.3CS..Hα-helixtrans-62.7-44.8176.1-88.6176.6000112.5M292 I344 M350 L351 N352 F380M292-L348 HydrophobicContact CE-CD1 4.26Å; M292-L348 HydrophobicContact CE-CD2 3.42Å; M292-L348 VanDerWaalsContact CE-CD2 3.42Å; M292-L348 HydrophobicContact CE-CG 4.1Å; M292-L348 HydrophobicContact SD-CD1 3.79Å; M292-L348 HydrophobicContact SD-CD2 3.91Å; M292-L348 HydrophobicContact SD-CG 3.9Å; I344-L348 HydrophobicContact CG1-CD1 4.11Å; I344-L348 HydrophobicContact CG1-CG 4.41Å; I344-L348 VanDerWaalsContact O-CB 3.29Å; I344-L348 WeakPolarHBondContact O-CB 3.35Å; I344-L348 PolarHBondContact O-N 2.76Å; L348-M350 VanDerWaalsContact C-N 3.31Å; L348-M350 PolarHBondContact O-N 3.17Å; L348-L351 PolarHBondContact O-N 2.98Å; L348-N352 WeakPolarHBondContact O-CB 3.15Å; L348-N352 PolarHBondContact O-N 3.35Å; L348-N352 PolarHBondContact O-ND2 3.08Å; L348-N352 VanDerWaalsContact O-ND2 3.15Å; L348-F380 HydrophobicContact CD2-CZ 4.15Å; L348-F380 HydrophobicContact CG-CE2 4.1Å; L348-F380 HydrophobicContact CG-CZ 4.2Å
349S86.7Confident85.1Confident67 Ų6758.6 Ų58.647%0.46930%0.303SS..Hα-helixtrans-59.3-45.7177.1-172.30000110.7N345 N352 D353N345-S349 WeakPolarHBondContact O-CB 3.32Å; N345-S349 PolarHBondContact O-N 2.82Å; S349-N352 PolarHBondContact O-N 3.34Å; S349-D353 VanDerWaalsContact O-CG 3.29Å; S349-D353 PolarHBondContact O-N 3.21Å
350M85.4Confident85.3Confident48 Ų4855.2 Ų55.224%0.23631%0.308CS..Hα-helixtrans-65.4-43.1178.9-176.9166.5-57.600112.4D346 G347 L348 N352 D353 V354 L374 F378D346-M350 WeakPolarHBondContact O-CB 3.21Å; D346-M350 PolarHBondContact O-N 3.41Å; G347-M350 PolarHBondContact O-N 3Å; L348-M350 VanDerWaalsContact C-N 3.31Å; L348-M350 PolarHBondContact O-N 3.17Å; M350-N352 VanDerWaalsContact C-N 3.35Å; M350-D353 PolarHBondContact O-N 3.22Å; M350-V354 WeakPolarHBondContact O-CG2 3.34Å; M350-V354 PolarHBondContact O-N 3.07Å; M350-L374 HydrophobicContact CB-CD2 4.13Å; M350-L374 HydrophobicContact CG-CD2 3.97Å; M350-L374 HydrophobicContact SD-CD2 4.04Å; M350-F378 HydrophobicContact CE-CD1 4.21Å; M350-F378 HydrophobicContact CE-CD2 4.19Å; M350-F378 HydrophobicContact CE-CE1 3.5Å; M350-F378 HydrophobicContact CE-CE2 3.5Å; M350-F378 VanDerWaalsContact CE-CE2 3.5Å; M350-F378 HydrophobicContact CE-CZ 3.12Å; M350-F378 HydrophobicContact SD-CD2 3.79Å; M350-F378 HydrophobicContact SD-CE1 4.37Å; M350-F378 HydrophobicContact SD-CE2 3.35Å; M350-F378 WeakPolarHBondContact SD-CE2 3.29Å; M350-F378 HydrophobicContact SD-CG 4.48Å; M350-F378 HydrophobicContact SD-CZ 3.71Å
351L88.5Confident85.5Confident0 Ų060.4 Ų60.40%033%0.331CS..Hα-helixtrans-61.1-46.6177.3-179.954.4000110.4G347 L348 D353 V354 L355 L366 L374 F380 T385 V388G347-L351 WeakPolarHBondContact O-CB 3.48Å; G347-L351 PolarHBondContact O-N 3.27Å; L348-L351 PolarHBondContact O-N 2.98Å; L351-D353 VanDerWaalsContact C-N 3.32Å; L351-D353 PolarHBondContact O-N 2.75Å; L351-V354 PolarHBondContact O-N 2.98Å; L351-V354 VanDerWaalsContact O-N 3.15Å; L351-L355 HydrophobicContact CD1-CD1 4.06Å; L351-L355 HydrophobicContact CD1-CD2 4.38Å; L351-L355 HydrophobicContact CD1-CG 4.02Å; L351-L355 HydrophobicContact CG-CD1 3.84Å; L351-L355 HydrophobicContact CG-CG 4.28Å; L351-L355 WeakPolarHBondContact O-CB 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.42Å; L351-L355 PolarHBondContact O-N 2.97Å; L351-L366 HydrophobicContact CD1-CD2 4.22Å; L351-L374 HydrophobicContact CB-CD1 4.39Å; L351-L374 HydrophobicContact CD1-CD1 3.97Å; L351-F380 HydrophobicContact CD2-CE1 3.95Å; L351-F380 HydrophobicContact CD2-CZ 4.46Å; L351-T385 HydrophobicContact CD1-CG2 3.94Å; L351-T385 HydrophobicContact CD2-CG2 4.36Å; L351-V388 HydrophobicContact CD2-CB 3.78Å; L351-V388 HydrophobicContact CD2-CG1 3.71Å; L351-V388 HydrophobicContact CD2-CG2 4.28Å; L351-V388 HydrophobicContact CG-CG1 4.26Å
352N89.6Confident85.6Confident82 Ų8266.3 Ų66.344%0.43936%0.363SS..Hα-helixtrans-59.5-40176.5-72.1-28000112.8L348 S349 M350 L355 A356L348-N352 WeakPolarHBondContact O-CB 3.15Å; L348-N352 PolarHBondContact O-N 3.35Å; L348-N352 PolarHBondContact O-ND2 3.08Å; L348-N352 VanDerWaalsContact O-ND2 3.15Å; S349-N352 PolarHBondContact O-N 3.34Å; M350-N352 VanDerWaalsContact C-N 3.35Å; N352-L355 PolarHBondContact O-N 3.27Å; N352-A356 WeakPolarHBondContact O-CB 3.45Å; N352-A356 PolarHBondContact O-N 3.41Å
353D90.3Very high86.1Confident108 Ų10863.7 Ų63.758%0.57835%0.351SS*.Hα-helixtrans-63-43175.7-71.9-23.6000111.6S349 M350 L351 A356 E357S349-D353 VanDerWaalsContact O-CG 3.29Å; S349-D353 PolarHBondContact O-N 3.21Å; M350-D353 PolarHBondContact O-N 3.22Å; L351-D353 VanDerWaalsContact C-N 3.32Å; L351-D353 PolarHBondContact O-N 2.75Å; D353-A356 PolarHBondContact O-N 3.3Å; D353-E357 PolarHBondContact O-N 3.26Å
354V88.8Confident86.8Confident28 Ų2865.6 Ų65.617%0.1736%0.363CS..Hα-helixtrans-64.3-45.9175.9172.50000110.9M350 L351 A356 E357 L358 L366 V370M350-V354 WeakPolarHBondContact O-CG2 3.34Å; M350-V354 PolarHBondContact O-N 3.07Å; L351-V354 PolarHBondContact O-N 2.98Å; L351-V354 VanDerWaalsContact O-N 3.15Å; V354-A356 VanDerWaalsContact C-N 3.31Å; V354-A356 PolarHBondContact O-N 3.19Å; V354-E357 PolarHBondContact O-N 2.9Å; V354-E357 VanDerWaalsContact O-N 3.16Å; V354-L358 HydrophobicContact CG1-CD1 3.96Å; V354-L358 HydrophobicContact CG1-CG 4.34Å; V354-L358 WeakPolarHBondContact O-CG 3.38Å; V354-L358 PolarHBondContact O-N 2.92Å; V354-L366 HydrophobicContact CG1-CD1 3.63Å; V354-V370 HydrophobicContact CB-CG1 4.49Å; V354-V370 HydrophobicContact CG1-CG1 3.98Å; V354-V370 HydrophobicContact CG2-CG1 3.95Å
355L89.8Confident87.3Confident6 Ų668.4 Ų68.43%0.03138%0.38CS..Hα-helixtrans-62.4-40.2179.9-66.3170.5000111.2L351 N352 L358 K359 V388 E392 L394L351-L355 HydrophobicContact CD1-CD1 4.06Å; L351-L355 HydrophobicContact CD1-CD2 4.38Å; L351-L355 HydrophobicContact CD1-CG 4.02Å; L351-L355 HydrophobicContact CG-CD1 3.84Å; L351-L355 HydrophobicContact CG-CG 4.28Å; L351-L355 WeakPolarHBondContact O-CB 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.42Å; L351-L355 PolarHBondContact O-N 2.97Å; N352-L355 PolarHBondContact O-N 3.27Å; L355-L358 PolarHBondContact O-N 2.77Å; L355-K359 WeakPolarHBondContact O-CB 3.39Å; L355-K359 WeakPolarHBondContact O-CG 3.45Å; L355-K359 PolarHBondContact O-N 2.57Å; L355-V388 HydrophobicContact CD1-CG1 3.8Å; L355-E392 HydrophobicContact CD1-CG 4.39Å; L355-L394 HydrophobicContact CD2-CD1 3.26Å
356A89.6Confident87.8Confident60 Ų6064.4 Ų64.450%0.49636%0.359SS..Hα-helixtrans-63.6-40.4174.100000112N352 D353 V354 A360N352-A356 WeakPolarHBondContact O-CB 3.45Å; N352-A356 PolarHBondContact O-N 3.41Å; D353-A356 PolarHBondContact O-N 3.3Å; V354-A356 VanDerWaalsContact C-N 3.31Å; V354-A356 PolarHBondContact O-N 3.19Å; A356-A360 WeakPolarHBondContact O-CB 3.31Å; A356-A360 PolarHBondContact O-N 2.9Å
357E89.2Confident88.4Confident107 Ų10762.8 Ų62.850%0.535%0.35SS..Hα-helixtrans-66.5-43.4176.3-171.1178.3175.400112.2D353 V354 A360 K361D353-E357 PolarHBondContact O-N 3.26Å; V354-E357 PolarHBondContact O-N 2.9Å; V354-E357 VanDerWaalsContact O-N 3.16Å; E357-A360 PolarHBondContact O-N 2.96Å; E357-K361 HydrophobicContact CG-CD 4.37Å; E357-K361 WeakPolarHBondContact O-CG 3.38Å; E357-K361 PolarHBondContact O-N 3.13Å; E357-K361 VanDerWaalsContact OE1-CE 3.23Å; E357-K361 WeakPolarHBondContact OE1-CE 3.3Å; E357-K361 IonicContact OE1-NZ 2.93Å; E357-K361 PolarHBondContact OE1-NZ 3.49Å
358L88.6Confident88.8Confident16 Ų1662.8 Ų62.88%0.08435%0.35CS..Hα-helixtrans-60.4-47.8175.7-77170000111.3V354 L355 A360 K361 N362 E363 L366 L394V354-L358 HydrophobicContact CG1-CD1 3.96Å; V354-L358 HydrophobicContact CG1-CG 4.34Å; V354-L358 WeakPolarHBondContact O-CG 3.38Å; V354-L358 PolarHBondContact O-N 2.92Å; L355-L358 PolarHBondContact O-N 2.77Å; L358-A360 VanDerWaalsContact C-N 3.32Å; L358-A360 PolarHBondContact O-N 2.85Å; L358-K361 CarbonylContact O-C 3.58Å; L358-K361 PolarHBondContact O-N 3.03Å; L358-K361 VanDerWaalsContact O-N 3.07Å; L358-N362 PolarHBondContact O-N 2.82Å; L358-E363 HydrophobicContact CB-CB 4.46Å; L358-E363 HydrophobicContact CD2-CB 3.58Å; L358-E363 HydrophobicContact CD2-CG 4.41Å; L358-E363 WeakPolarHBondContact CD2-OE2 3.44Å; L358-E363 PolarHBondContact O-N 2.75Å; L358-L366 HydrophobicContact CD1-CB 4.37Å; L358-L366 HydrophobicContact CD1-CD1 3.68Å; L358-L394 HydrophobicContact CD1-CD1 4.36Å
359K86.7Confident89.1Confident97 Ų9767.1 Ų67.142%0.42237%0.367SS..Hα-helixtrans-61-40.6175.6-73.8179179.7-176.20111.9L355 K361 N362 E392L355-K359 WeakPolarHBondContact O-CB 3.39Å; L355-K359 WeakPolarHBondContact O-CG 3.45Å; L355-K359 PolarHBondContact O-N 2.57Å; K359-K361 PolarHBondContact O-N 3.2Å; K359-N362 PolarHBondContact O-N 3.36Å; K359-N362 VanDerWaalsContact O-N 3.15Å; K359-E392 IonicContact NZ-OE2 2.84Å; K359-E392 PolarHBondContact NZ-OE2 2.81Å
360A88.7Confident89.2Confident84 Ų8465.9 Ų65.969%0.69436%0.357SS*.Hα-helixtrans-64.1-28.8175.700000113A356 E357 L358A356-A360 WeakPolarHBondContact O-CB 3.31Å; A356-A360 PolarHBondContact O-N 2.9Å; E357-A360 PolarHBondContact O-N 2.96Å; L358-A360 VanDerWaalsContact C-N 3.32Å; L358-A360 PolarHBondContact O-N 2.85Å
361K88.7Confident89.4Confident111 Ų11163.6 Ų63.648%0.48335%0.346SS..Hα-helixtrans-88.9-3.2175.6-67.9176.2-172167.60114.1E357 L358 K359 E363E357-K361 HydrophobicContact CG-CD 4.37Å; E357-K361 WeakPolarHBondContact O-CG 3.38Å; E357-K361 PolarHBondContact O-N 3.13Å; E357-K361 VanDerWaalsContact OE1-CE 3.23Å; E357-K361 WeakPolarHBondContact OE1-CE 3.3Å; E357-K361 IonicContact OE1-NZ 2.93Å; E357-K361 PolarHBondContact OE1-NZ 3.49Å; L358-K361 CarbonylContact O-C 3.58Å; L358-K361 PolarHBondContact O-N 3.03Å; L358-K361 VanDerWaalsContact O-N 3.07Å; K359-K361 PolarHBondContact O-N 3.2Å; K361-E363 HydrophobicContact CB-CG 4.01Å; K361-E363 WeakPolarHBondContact CD-OE1 3.49Å; K361-E363 PolarHBondContact O-N 3.46Å
362N86.6Confident89.2Confident150 Ų15064.3 Ų64.380%0.80235%0.349SS*.THydrogen-bonded Turntrans55.433.6-169.1-61.9-59.5000113.4L358 K359L358-N362 PolarHBondContact O-N 2.82Å; K359-N362 PolarHBondContact O-N 3.36Å; K359-N362 VanDerWaalsContact O-N 3.15Å
363E88.6Confident88.9Confident97 Ų9765.6 Ų65.645%0.45335%0.351SS..  trans-87.4138.9172.1-70.2177.3-153.900109.6L358 K361L358-E363 HydrophobicContact CB-CB 4.46Å; L358-E363 HydrophobicContact CD2-CB 3.58Å; L358-E363 HydrophobicContact CD2-CG 4.41Å; L358-E363 WeakPolarHBondContact CD2-OE2 3.44Å; L358-E363 PolarHBondContact O-N 2.75Å; K361-E363 HydrophobicContact CB-CG 4.01Å; K361-E363 WeakPolarHBondContact CD-OE1 3.49Å; K361-E363 PolarHBondContact O-N 3.46Å
364T88.7Confident88.6Confident91 Ų9160.6 Ų60.656%0.55832%0.324SS*.  trans-108.53.5-174.759.80000113.6K395T364-K395 PolarHBondContact O-N 3.08Å
365T92.4Very high88.1Confident59 Ų5963.1 Ų63.136%0.36233%0.331SS..EExtended strand (participates in β ladder)trans-132.9130.3-174.2-55.60000110.4K395 D397T365-K395 CarbonylContact C-O 3.59Å; T365-K395 VanDerWaalsContact CA-O 3.26Å; T365-K395 WeakPolarHBondContact CA-O 3.49Å; T365-K395 HydrophobicContact CG2-CB 4.34Å; T365-D397 HydrophobicContact CG2-CB 4.14Å
366L91.8Very high87.4Confident1 Ų166.4 Ų66.41%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-83.3117172.6-175.963.2000110.1L351 V354 L358 V370 I371 T385 A389 K395 D397L351-L366 HydrophobicContact CD1-CD2 4.22Å; V354-L366 HydrophobicContact CG1-CD1 3.63Å; L358-L366 HydrophobicContact CD1-CB 4.37Å; L358-L366 HydrophobicContact CD1-CD1 3.68Å; L366-V370 HydrophobicContact CD1-CB 4.22Å; L366-V370 HydrophobicContact CD1-CG1 4.12Å; L366-I371 HydrophobicContact CD2-CG1 4.09Å; L366-I371 HydrophobicContact CG-CG1 4.13Å; L366-T385 HydrophobicContact CD2-CG2 3.44Å; L366-T385 VanDerWaalsContact CD2-CG2 3.44Å; L366-A389 HydrophobicContact CD2-CB 4.1Å; L366-K395 PolarHBondContact N-O 3.04Å; L366-D397 WeakPolarHBondContact O-CB 3.22Å; L366-D397 PolarHBondContact O-N 3.02Å
367D91.9Very high86.5Confident75 Ų7567.7 Ų67.740%0.40135%0.35SS..  trans-63.4134.9-177.1-175.5-45000112.1K369 V370 I371D367-K369 PolarHBondContact O-N 3.21Å; D367-K369 VanDerWaalsContact O-N 3.11Å; D367-K369 VanDerWaalsContact OD1-CB 3.27Å; D367-K369 WeakPolarHBondContact OD1-CB 3.36Å; D367-K369 WeakPolarHBondContact OD1-CG 3.42Å; D367-K369 PolarHBondContact OD1-N 3.23Å; D367-V370 HydrophobicContact CB-CG2 4.31Å; D367-V370 WeakPolarHBondContact O-CB 3.4Å; D367-V370 PolarHBondContact O-N 2.79Å; D367-I371 PolarHBondContact O-N 3.05Å
368G90.3Very high85.5Confident0 Ų065.6 Ų65.60%034%0.339CS..Hα-helixtrans-55.9-27.5179.700000114.8I371 F372 D397G368-I371 PolarHBondContact O-N 3.46Å; G368-F372 WeakPolarHBondContact O-CB 3.31Å; G368-F372 PolarHBondContact O-N 2.81Å; G368-D397 VanDerWaalsContact CA-O 3.29Å; G368-D397 WeakPolarHBondContact CA-O 3.49Å; G368-D397 PolarHBondContact N-OD2 3.32Å
369K89.7Confident84.6Confident123 Ų12366.5 Ų66.554%0.53535%0.353SS..Hα-helixtrans-68.4-33.2173.9-68.5174.7179.6168.10113D367 K373 E404D367-K369 PolarHBondContact O-N 3.21Å; D367-K369 VanDerWaalsContact O-N 3.11Å; D367-K369 VanDerWaalsContact OD1-CB 3.27Å; D367-K369 WeakPolarHBondContact OD1-CB 3.36Å; D367-K369 WeakPolarHBondContact OD1-CG 3.42Å; D367-K369 PolarHBondContact OD1-N 3.23Å; K369-K373 VanDerWaalsContact O-CB 3.3Å; K369-K373 WeakPolarHBondContact O-CB 3.19Å; K369-K373 PolarHBondContact O-N 3.26Å; K369-E404 WeakPolarHBondContact CE-OE1 3.47Å; K369-E404 HydrophobicContact CG-CG 4Å
370V89.3Confident84.2Confident41 Ų4161.9 Ų61.925%0.24833%0.333CS..Hα-helixtrans-71.6-43.7177.1-179.70000109.5V354 L366 D367 F372 K373 L374V354-V370 HydrophobicContact CB-CG1 4.49Å; V354-V370 HydrophobicContact CG1-CG1 3.98Å; V354-V370 HydrophobicContact CG2-CG1 3.95Å; L366-V370 HydrophobicContact CD1-CB 4.22Å; L366-V370 HydrophobicContact CD1-CG1 4.12Å; D367-V370 HydrophobicContact CB-CG2 4.31Å; D367-V370 WeakPolarHBondContact O-CB 3.4Å; D367-V370 PolarHBondContact O-N 2.79Å; V370-F372 VanDerWaalsContact C-N 3.34Å; V370-F372 PolarHBondContact O-N 2.83Å; V370-K373 PolarHBondContact O-N 2.92Å; V370-L374 HydrophobicContact CG1-CD1 4.24Å; V370-L374 WeakPolarHBondContact O-CG 3.33Å; V370-L374 PolarHBondContact O-N 3.02Å
371I90.3Very high83.7Confident0 Ų058.2 Ų58.20%030%0.301CS..Hα-helixtrans-57.9-49.3173.5-50.7170000109.7L366 D367 G368 K373 L374 Y375 V382 T385 V396 F401L366-I371 HydrophobicContact CD2-CG1 4.09Å; L366-I371 HydrophobicContact CG-CG1 4.13Å; D367-I371 PolarHBondContact O-N 3.05Å; G368-I371 PolarHBondContact O-N 3.46Å; I371-K373 VanDerWaalsContact C-N 3.32Å; I371-K373 PolarHBondContact O-N 2.88Å; I371-L374 PolarHBondContact O-N 2.88Å; I371-Y375 WeakPolarHBondContact O-CB 3.37Å; I371-Y375 PolarHBondContact O-N 3.32Å; I371-V382 HydrophobicContact CG2-CB 4.21Å; I371-V382 HydrophobicContact CG2-CG1 3.51Å; I371-V382 HydrophobicContact CG2-CG2 4.32Å; I371-T385 HydrophobicContact CG1-CG2 4.19Å; I371-T385 HydrophobicContact CG2-CG2 4.4Å; I371-V396 HydrophobicContact CD1-CG1 3.13Å; I371-V396 HydrophobicContact CG1-CG1 4.29Å; I371-F401 HydrophobicContact CB-CD2 4.18Å; I371-F401 HydrophobicContact CG2-CD2 3.84Å; I371-F401 HydrophobicContact CG2-CE2 4.39Å; I371-F401 HydrophobicContact CG2-CG 4.33Å
372F84.4Confident83.4Confident15 Ų1553.3 Ų53.37%0.06628%0.281CS..Hα-helixtrans-59.8-41.4177.4179.7-95.7000111.9G368 V370 Y375 D376 F401 E404 M405 Q408G368-F372 WeakPolarHBondContact O-CB 3.31Å; G368-F372 PolarHBondContact O-N 2.81Å; V370-F372 VanDerWaalsContact C-N 3.34Å; V370-F372 PolarHBondContact O-N 2.83Å; F372-Y375 PolarHBondContact O-N 3.2Å; F372-D376 HydrophobicContact CD1-CB 4.24Å; F372-D376 HydrophobicContact CE1-CB 3.76Å; F372-D376 HydrophobicContact CE2-CB 4.23Å; F372-D376 HydrophobicContact CZ-CB 3.75Å; F372-D376 WeakPolarHBondContact O-CB 3.15Å; F372-D376 PolarHBondContact O-N 3.07Å; F372-F401 HydrophobicContact CB-CD2 3.93Å; F372-F401 HydrophobicContact CB-CE2 4.32Å; F372-F401 HydrophobicContact CD2-CD2 4.4Å; F372-F401 HydrophobicContact CD2-CE2 4.17Å; F372-E404 HydrophobicContact CB-CB 3.83Å; F372-E404 HydrophobicContact CB-CG 4.29Å; F372-E404 HydrophobicContact CD1-CB 3.89Å; F372-E404 HydrophobicContact CD1-CG 4.45Å; F372-E404 HydrophobicContact CD2-CB 3.62Å; F372-E404 HydrophobicContact CE1-CB 4.42Å; F372-E404 HydrophobicContact CE2-CB 4.17Å; F372-E404 HydrophobicContact CG-CB 3.47Å; F372-E404 VanDerWaalsContact CG-CB 3.47Å; F372-E404 HydrophobicContact CG-CG 4.26Å; F372-M405 HydrophobicContact CD2-CG 4.2Å; F372-M405 HydrophobicContact CD2-SD 4.11Å; F372-M405 HydrophobicContact CE2-CG 4.36Å; F372-M405 HydrophobicContact CE2-SD 3.86Å; F372-Q408 HydrophobicContact CE2-CB 4.1Å; F372-Q408 HydrophobicContact CE2-CG 4.48Å; F372-Q408 HydrophobicContact CZ-CB 3.9Å; F372-Q408 HydrophobicContact CZ-CG 4.05Å
373K83.6Confident83.1Confident109 Ų10947 Ų4747%0.47425%0.247SC..Hα-helixtrans-65.2-43.7176.9-176.7-174.7177.2-166.10112.2K369 V370 I371 Y375 T377 F378K369-K373 VanDerWaalsContact O-CB 3.3Å; K369-K373 WeakPolarHBondContact O-CB 3.19Å; K369-K373 PolarHBondContact O-N 3.26Å; V370-K373 PolarHBondContact O-N 2.92Å; I371-K373 VanDerWaalsContact C-N 3.32Å; I371-K373 PolarHBondContact O-N 2.88Å; K373-Y375 VanDerWaalsContact C-N 3.28Å; K373-Y375 PolarHBondContact O-N 2.89Å; K373-T377 WeakPolarHBondContact O-CB 3.32Å; K373-T377 PolarHBondContact O-N 3.11Å; K373-F378 HydrophobicContact CG-CE2 4.21Å
374L82.6Confident82.9Confident2 Ų242.5 Ų42.51%0.0123%0.226CC..Hα-helixtrans-58-44.2175-77.2170.1000110.6M350 L351 V370 I371 F378 G379 F380 T385M350-L374 HydrophobicContact CB-CD2 4.13Å; M350-L374 HydrophobicContact CG-CD2 3.97Å; M350-L374 HydrophobicContact SD-CD2 4.04Å; L351-L374 HydrophobicContact CB-CD1 4.39Å; L351-L374 HydrophobicContact CD1-CD1 3.97Å; V370-L374 HydrophobicContact CG1-CD1 4.24Å; V370-L374 WeakPolarHBondContact O-CG 3.33Å; V370-L374 PolarHBondContact O-N 3.02Å; I371-L374 PolarHBondContact O-N 2.88Å; L374-F378 CarbonylContact O-C 3.35Å; L374-F378 WeakPolarHBondContact O-CA 3.49Å; L374-F378 WeakPolarHBondContact O-CB 3.23Å; L374-F378 PolarHBondContact O-N 3.01Å; L374-G379 PolarHBondContact O-N 3.28Å; L374-G379 VanDerWaalsContact O-N 3.12Å; L374-F380 HydrophobicContact CB-CB 4.19Å; L374-F380 PolarHBondContact O-N 3.22Å; L374-T385 HydrophobicContact CD1-CG2 3.78Å
375Y79.7Confident82.8Confident82 Ų8238.2 Ų38.232%0.32220%0.199SC..Hα-helixtrans-67-58.7176.1174-102.4000113.8I371 F372 K373 G379 F380 V382 F401 M405I371-Y375 WeakPolarHBondContact O-CB 3.37Å; I371-Y375 PolarHBondContact O-N 3.32Å; F372-Y375 PolarHBondContact O-N 3.2Å; K373-Y375 VanDerWaalsContact C-N 3.28Å; K373-Y375 PolarHBondContact O-N 2.89Å; Y375-G379 VanDerWaalsContact O-CA 3.23Å; Y375-G379 WeakPolarHBondContact O-CA 3.46Å; Y375-G379 PolarHBondContact O-N 2.88Å; Y375-G379 VanDerWaalsContact O-N 3.11Å; Y375-F380 VanDerWaalsContact CA-O 3.25Å; Y375-F380 WeakPolarHBondContact CA-O 3.46Å; Y375-F380 PolarHBondContact N-O 2.97Å; Y375-V382 HydrophobicContact CD2-CG2 3.72Å; Y375-V382 HydrophobicContact CE2-CG2 4.43Å; Y375-V382 HydrophobicContact CG-CG2 3.92Å; Y375-F401 HydrophobicContact CD1-CE2 4.21Å; Y375-F401 HydrophobicContact CD1-CZ 4.41Å; Y375-F401 HydrophobicContact CG-CE2 4.31Å; Y375-M405 HydrophobicContact CD1-SD 4.08Å; Y375-M405 HydrophobicContact CE1-CE 4.2Å; Y375-M405 HydrophobicContact CE1-SD 3.62Å
376D74.9Confident82.6Confident75 Ų7536.6 Ų36.640%0.40119%0.187SC..Hα-helixtrans-72.1-41-171.7-179.266.7000112.7F372 Q408F372-D376 HydrophobicContact CD1-CB 4.24Å; F372-D376 HydrophobicContact CE1-CB 3.76Å; F372-D376 HydrophobicContact CE2-CB 4.23Å; F372-D376 HydrophobicContact CZ-CB 3.75Å; F372-D376 WeakPolarHBondContact O-CB 3.15Å; F372-D376 PolarHBondContact O-N 3.07Å; D376-Q408 PolarHBondContact OD1-NE2 3.39Å
377T70.7Confident82.2Confident87 Ų8736.8 Ų36.853%0.53419%0.188SC..Hα-helixtrans-92.7-39.3-174.3-54.90000113K373K373-T377 WeakPolarHBondContact O-CB 3.32Å; K373-T377 PolarHBondContact O-N 3.11Å
378F67.9Low82Confident62 Ų6233.9 Ų33.927%0.27217%0.173SC..Hα-helixtrans-107.2-6.3-173.5-59-83.9000113.3M350 K373 L374 F380M350-F378 HydrophobicContact CE-CD1 4.21Å; M350-F378 HydrophobicContact CE-CD2 4.19Å; M350-F378 HydrophobicContact CE-CE1 3.5Å; M350-F378 HydrophobicContact CE-CE2 3.5Å; M350-F378 VanDerWaalsContact CE-CE2 3.5Å; M350-F378 HydrophobicContact CE-CZ 3.12Å; M350-F378 HydrophobicContact SD-CD2 3.79Å; M350-F378 HydrophobicContact SD-CE1 4.37Å; M350-F378 HydrophobicContact SD-CE2 3.35Å; M350-F378 WeakPolarHBondContact SD-CE2 3.29Å; M350-F378 HydrophobicContact SD-CG 4.48Å; M350-F378 HydrophobicContact SD-CZ 3.71Å; K373-F378 HydrophobicContact CG-CE2 4.21Å; L374-F378 CarbonylContact O-C 3.35Å; L374-F378 WeakPolarHBondContact O-CA 3.49Å; L374-F378 WeakPolarHBondContact O-CB 3.23Å; L374-F378 PolarHBondContact O-N 3.01Å; F378-F380 PolarHBondContact O-N 3.33Å
379G68.8Low81.9Confident35 Ų3533.9 Ų33.936%0.36117%0.173SC..  trans67.513.6-177.300000113.7L374 Y375L374-G379 PolarHBondContact O-N 3.28Å; L374-G379 VanDerWaalsContact O-N 3.12Å; Y375-G379 VanDerWaalsContact O-CA 3.23Å; Y375-G379 WeakPolarHBondContact O-CA 3.46Å; Y375-G379 PolarHBondContact O-N 2.88Å; Y375-G379 VanDerWaalsContact O-N 3.11Å
380F78.1Confident81.8Confident1 Ų132.6 Ų32.60%0.00417%0.169CC..  trans-76.7128.2-178.7-162.4-97000109.5M292 I344 L348 L351 L374 Y375 F378 L384 T385M292-F380 HydrophobicContact CE-CZ 4.21Å; M292-F380 HydrophobicContact SD-CE2 4.33Å; M292-F380 HydrophobicContact SD-CZ 4.09Å; I344-F380 HydrophobicContact CG1-CE2 4.25Å; L348-F380 HydrophobicContact CD2-CZ 4.15Å; L348-F380 HydrophobicContact CG-CE2 4.1Å; L348-F380 HydrophobicContact CG-CZ 4.2Å; L351-F380 HydrophobicContact CD2-CE1 3.95Å; L351-F380 HydrophobicContact CD2-CZ 4.46Å; L374-F380 HydrophobicContact CB-CB 4.19Å; L374-F380 PolarHBondContact O-N 3.22Å; Y375-F380 VanDerWaalsContact CA-O 3.25Å; Y375-F380 WeakPolarHBondContact CA-O 3.46Å; Y375-F380 PolarHBondContact N-O 2.97Å; F378-F380 PolarHBondContact O-N 3.33Å; F380-L384 HydrophobicContact CE1-CB 3.95Å; F380-L384 HydrophobicContact CZ-CB 4.22Å; F380-T385 WeakPolarHBondContact CD1-OG1 3.18Å
381P78.1Confident81.6Confident6 Ų633.6 Ų33.64%0.03917%0.173CC..  trans-64.3145.1-172.8-22.334.8000112.8R288 F340 E383 L384 T385R288-P381 HydrophobicContact CB-CG 4.43Å; F340-P381 HydrophobicContact CE2-CG 4.1Å; F340-P381 HydrophobicContact CZ-CG 4.26Å; P381-E383 VanDerWaalsContact C-N 3.35Å; P381-L384 HydrophobicContact CB-CB 4.22Å; P381-L384 HydrophobicContact CB-CD1 3.89Å; P381-L384 HydrophobicContact CB-CG 3.9Å; P381-L384 HydrophobicContact CG-CD1 3.5Å; P381-L384 HydrophobicContact CG-CG 4.1Å; P381-L384 PolarHBondContact O-N 3.33Å; P381-T385 PolarHBondContact O-N 3.45Å; P381-T385 VanDerWaalsContact O-N 3.14Å; P381-T385 PolarHBondContact O-OG1 3.14Å
382V83.3Confident81.5Confident8 Ų838.1 Ų38.15%0.04819%0.194CC..Hα-helixtrans-64.1-44.9179.9-177.50000109.6I371 Y375 L384 T385 E386 F401I371-V382 HydrophobicContact CG2-CB 4.21Å; I371-V382 HydrophobicContact CG2-CG1 3.51Å; I371-V382 HydrophobicContact CG2-CG2 4.32Å; Y375-V382 HydrophobicContact CD2-CG2 3.72Å; Y375-V382 HydrophobicContact CE2-CG2 4.43Å; Y375-V382 HydrophobicContact CG-CG2 3.92Å; V382-L384 VanDerWaalsContact C-N 3.31Å; V382-L384 PolarHBondContact O-N 2.98Å; V382-T385 WeakPolarHBondContact O-CA 3.49Å; V382-T385 WeakPolarHBondContact O-CB 3.07Å; V382-T385 PolarHBondContact O-N 3.44Å; V382-E386 WeakPolarHBondContact CG1-OE1 3.38Å; V382-E386 WeakPolarHBondContact O-CG 3.19Å; V382-E386 PolarHBondContact O-N 2.85Å; V382-F401 HydrophobicContact CB-CZ 4.45Å; V382-F401 HydrophobicContact CG1-CD1 4.35Å; V382-F401 HydrophobicContact CG1-CE1 4.22Å; V382-F401 HydrophobicContact CG1-CE2 4.38Å; V382-F401 HydrophobicContact CG1-CG 4.5Å; V382-F401 HydrophobicContact CG1-CZ 4.25Å; V382-F401 HydrophobicContact CG2-CD2 4.4Å; V382-F401 HydrophobicContact CG2-CE1 4.11Å; V382-F401 HydrophobicContact CG2-CE2 3.56Å; V382-F401 HydrophobicContact CG2-CZ 3.4Å; V382-F401 VanDerWaalsContact CG2-CZ 3.4Å
383E81.2Confident81.5Confident18 Ų1840.5 Ų40.58%0.08422%0.223CC..Hα-helixtrans-67.8-32.3-176.8-54.994.7150.500112.5Y281 R285 P381 T385 E386 E387Y281-E383 WeakPolarHBondContact CE1-OE1 3.1Å; Y281-E383 PolarHBondContact OH-OE1 3.25Å; Y281-E383 PolarHBondContact OH-OE2 3.2Å; R285-E383 HydrophobicContact CG-CB 4.49Å; P381-E383 VanDerWaalsContact C-N 3.35Å; E383-T385 VanDerWaalsContact C-N 3.31Å; E383-E386 WeakPolarHBondContact CA-OE2 3.4Å; E383-E386 WeakPolarHBondContact O-CB 3.34Å; E383-E386 PolarHBondContact O-N 3.48Å; E383-E387 WeakPolarHBondContact O-CB 3.28Å; E383-E387 PolarHBondContact O-N 3.2Å
384L83.2Confident81.8Confident3 Ų336 Ų362%0.01620%0.204CC..Hα-helixtrans-75-27.5174.9-58.9177.6000111.6R288 R289 M292 F340 F380 P381 V382 V388R288-L384 HydrophobicContact CB-CD1 3.68Å; R289-L384 HydrophobicContact CB-CD2 3.8Å; R289-L384 HydrophobicContact CG-CD2 4.16Å; M292-L384 HydrophobicContact CG-CD1 3.68Å; M292-L384 HydrophobicContact CG-CD2 4.11Å; M292-L384 HydrophobicContact CG-CG 4.31Å; F340-L384 HydrophobicContact CE1-CD1 4.31Å; F340-L384 HydrophobicContact CZ-CD1 3.81Å; F380-L384 HydrophobicContact CE1-CB 3.95Å; F380-L384 HydrophobicContact CZ-CB 4.22Å; P381-L384 HydrophobicContact CB-CB 4.22Å; P381-L384 HydrophobicContact CB-CD1 3.89Å; P381-L384 HydrophobicContact CB-CG 3.9Å; P381-L384 HydrophobicContact CG-CD1 3.5Å; P381-L384 HydrophobicContact CG-CG 4.1Å; P381-L384 PolarHBondContact O-N 3.33Å; V382-L384 VanDerWaalsContact C-N 3.31Å; V382-L384 PolarHBondContact O-N 2.98Å; L384-V388 WeakPolarHBondContact O-CB 3.46Å; L384-V388 WeakPolarHBondContact O-CG2 3.25Å; L384-V388 PolarHBondContact O-N 3.19Å
385T87Confident82.2Confident0 Ų043.1 Ų43.10%024%0.235CC..Hα-helixtrans-67.5-43.9171.3-55.50000109.9L351 L366 I371 L374 F380 P381 V382 E383 A389L351-T385 HydrophobicContact CD1-CG2 3.94Å; L351-T385 HydrophobicContact CD2-CG2 4.36Å; L366-T385 HydrophobicContact CD2-CG2 3.44Å; L366-T385 VanDerWaalsContact CD2-CG2 3.44Å; I371-T385 HydrophobicContact CG1-CG2 4.19Å; I371-T385 HydrophobicContact CG2-CG2 4.4Å; L374-T385 HydrophobicContact CD1-CG2 3.78Å; F380-T385 WeakPolarHBondContact CD1-OG1 3.18Å; P381-T385 PolarHBondContact O-N 3.45Å; P381-T385 VanDerWaalsContact O-N 3.14Å; P381-T385 PolarHBondContact O-OG1 3.14Å; V382-T385 WeakPolarHBondContact O-CA 3.49Å; V382-T385 WeakPolarHBondContact O-CB 3.07Å; V382-T385 PolarHBondContact O-N 3.44Å; E383-T385 VanDerWaalsContact C-N 3.31Å; T385-A389 VanDerWaalsContact O-CB 3.31Å; T385-A389 WeakPolarHBondContact O-CB 3.3Å; T385-A389 PolarHBondContact O-N 3.49Å
386E87.1Confident82.7Confident25 Ų2540.3 Ų40.312%0.11723%0.227CC..Hα-helixtrans-61.2-53.5176.4-74.6154.9-171.800111.6V382 E383 V388 A389 E390 V396 H398V382-E386 WeakPolarHBondContact CG1-OE1 3.38Å; V382-E386 WeakPolarHBondContact O-CG 3.19Å; V382-E386 PolarHBondContact O-N 2.85Å; E383-E386 WeakPolarHBondContact CA-OE2 3.4Å; E383-E386 WeakPolarHBondContact O-CB 3.34Å; E383-E386 PolarHBondContact O-N 3.48Å; E386-V388 VanDerWaalsContact C-N 3.33Å; E386-V388 PolarHBondContact O-N 2.87Å; E386-A389 WeakPolarHBondContact O-CB 3.38Å; E386-A389 PolarHBondContact O-N 3.08Å; E386-A389 VanDerWaalsContact O-N 3.07Å; E386-E390 WeakPolarHBondContact O-CG 3.33Å; E386-E390 PolarHBondContact O-N 2.86Å; E386-V396 HydrophobicContact CB-CG2 4.31Å; E386-V396 HydrophobicContact CG-CB 4.23Å; E386-V396 HydrophobicContact CG-CG1 3.75Å; E386-V396 HydrophobicContact CG-CG2 4.04Å; E386-H398 IonicContact OE1-CE1 2.64Å; E386-H398 PolarHBondContact OE1-CE1 3.16Å; E386-H398 IonicContact OE1-ND1 3.48Å; E386-H398 PolarHBondContact OE1-ND1 3.32Å; E386-H398 IonicContact OE1-NE2 3.98Å; E386-H398 IonicContact OE2-CE1 3.3Å; E386-H398 PolarHBondContact OE2-CE1 2.96Å
387E85.1Confident83.5Confident5 Ų539.3 Ų39.32%0.02322%0.221CC..Hα-helixtrans-59.3-42.3-178.7-176.9170.8-155.300112.2R289 H293 E383 E390 D391R289-E387 WeakPolarHBondContact CD-OE2 3.23Å; R289-E387 WeakPolarHBondContact CG-OE2 3.49Å; R289-E387 IonicContact CZ-OE1 3.74Å; R289-E387 VanDerWaalsContact CZ-OE1 3.25Å; R289-E387 VanDerWaalsContact NE-CD 3.26Å; R289-E387 IonicContact NE-OE1 3.69Å; R289-E387 PolarHBondContact NE-OE1 2.87Å; R289-E387 IonicContact NE-OE2 3.83Å; R289-E387 PolarHBondContact NE-OE2 3.4Å; R289-E387 IonicContact NH2-OE1 2.63Å; R289-E387 PolarHBondContact NH2-OE1 3.32Å; H293-E387 IonicContact CE1-OE1 2.7Å; H293-E387 IonicContact NE2-OE1 3.95Å; H293-E387 PolarHBondContact NE2-OE1 2.89Å; E383-E387 WeakPolarHBondContact O-CB 3.28Å; E383-E387 PolarHBondContact O-N 3.2Å; E387-E390 PolarHBondContact O-N 2.72Å; E387-D391 WeakPolarHBondContact O-CB 3.47Å; E387-D391 PolarHBondContact O-N 3.02Å
388V87Confident84.3Confident14 Ų1439.5 Ų39.59%0.08522%0.216CC..Hα-helixtrans-69.6-35.4177173.80000111.7M292 L351 L355 L384 E386 E392M292-V388 HydrophobicContact CE-CG2 3.66Å; L351-V388 HydrophobicContact CD2-CB 3.78Å; L351-V388 HydrophobicContact CD2-CG1 3.71Å; L351-V388 HydrophobicContact CD2-CG2 4.28Å; L351-V388 HydrophobicContact CG-CG1 4.26Å; L355-V388 HydrophobicContact CD1-CG1 3.8Å; L384-V388 WeakPolarHBondContact O-CB 3.46Å; L384-V388 WeakPolarHBondContact O-CG2 3.25Å; L384-V388 PolarHBondContact O-N 3.19Å; E386-V388 VanDerWaalsContact C-N 3.33Å; E386-V388 PolarHBondContact O-N 2.87Å; V388-E392 WeakPolarHBondContact O-CG 3.47Å; V388-E392 PolarHBondContact O-N 3.26Å
389A89Confident85.3Confident0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-67.2-42.5175.900000111.5L366 T385 E386 E392 G393 L394 V396L366-A389 HydrophobicContact CD2-CB 4.1Å; T385-A389 VanDerWaalsContact O-CB 3.31Å; T385-A389 WeakPolarHBondContact O-CB 3.3Å; T385-A389 PolarHBondContact O-N 3.49Å; E386-A389 WeakPolarHBondContact O-CB 3.38Å; E386-A389 PolarHBondContact O-N 3.08Å; E386-A389 VanDerWaalsContact O-N 3.07Å; A389-E392 CarbonylContact O-C 3.5Å; A389-E392 PolarHBondContact O-N 3.28Å; A389-G393 PolarHBondContact O-N 3.26Å; A389-L394 HydrophobicContact CB-CB 4.33Å; A389-L394 WeakPolarHBondContact O-CB 3.41Å; A389-L394 PolarHBondContact O-N 3.44Å; A389-V396 HydrophobicContact CB-CG2 3.91Å
390E87.6Confident86.2Confident96 Ų9643.4 Ų43.445%0.44923%0.23SC..Hα-helixtrans-65.2-42.5177-72.5-179.6-179.900112.4E386 E387 E392 G393E386-E390 WeakPolarHBondContact O-CG 3.33Å; E386-E390 PolarHBondContact O-N 2.86Å; E387-E390 PolarHBondContact O-N 2.72Å; E390-E392 PolarHBondContact O-N 2.97Å; E390-G393 WeakPolarHBondContact O-CA 3.36Å; E390-G393 PolarHBondContact O-N 3.17Å
391D84.3Confident86.7Confident62 Ų6244 Ų4433%0.33223%0.233SC..Hα-helixtrans-56.4-31.9173.6-84.1-13.7000112K296 E387 G393K296-D391 IonicContact NZ-OD2 3.76Å; K296-D391 PolarHBondContact NZ-OD2 3.32Å; E387-D391 WeakPolarHBondContact O-CB 3.47Å; E387-D391 PolarHBondContact O-N 3.02Å; D391-G393 VanDerWaalsContact C-N 3.32Å
392E87.2Confident87Confident95 Ų9548.8 Ų48.844%0.44426%0.255SS..THydrogen-bonded Turntrans-90.25.8177.5-66.4-67.4171.900113.4L355 K359 V388 A389 E390L355-E392 HydrophobicContact CD1-CG 4.39Å; K359-E392 IonicContact NZ-OE2 2.84Å; K359-E392 PolarHBondContact NZ-OE2 2.81Å; V388-E392 WeakPolarHBondContact O-CG 3.47Å; V388-E392 PolarHBondContact O-N 3.26Å; A389-E392 CarbonylContact O-C 3.5Å; A389-E392 PolarHBondContact O-N 3.28Å; E390-E392 PolarHBondContact O-N 2.97Å
393G85.7Confident87.3Confident65 Ų6553 Ų5367%0.6728%0.28SS*.THydrogen-bonded Turntrans74.922.7177.400000114.7A389 E390 D391A389-G393 PolarHBondContact O-N 3.26Å; E390-G393 WeakPolarHBondContact O-CA 3.36Å; E390-G393 PolarHBondContact O-N 3.17Å; D391-G393 VanDerWaalsContact C-N 3.32Å
394L90.1Very high87.6Confident16 Ų1654.4 Ų54.48%0.08429%0.287CS..  trans-99.6152.1177.9-59.4173.4000111.4L355 L358 A389L355-L394 HydrophobicContact CD2-CD1 3.26Å; L358-L394 HydrophobicContact CD1-CD1 4.36Å; A389-L394 HydrophobicContact CB-CB 4.33Å; A389-L394 WeakPolarHBondContact O-CB 3.41Å; A389-L394 PolarHBondContact O-N 3.44Å
395K90.4Very high87.5Confident151 Ų15155.3 Ų55.366%0.65729%0.291SS*.EExtended strand (participates in β ladder)trans-86.4160.7169.9-60.7-173.9178.4-172.90110.4T364 T365 L366T364-K395 PolarHBondContact O-N 3.08Å; T365-K395 CarbonylContact C-O 3.59Å; T365-K395 VanDerWaalsContact CA-O 3.26Å; T365-K395 WeakPolarHBondContact CA-O 3.49Å; T365-K395 HydrophobicContact CG2-CB 4.34Å; L366-K395 PolarHBondContact N-O 3.04Å
396V90.2Very high87.1Confident23 Ų2359 Ų5914%0.13931%0.308CS..EExtended strand (participates in β ladder)trans-121.4135.6179.8-170.30000110.4I371 E386 A389 H398I371-V396 HydrophobicContact CD1-CG1 3.13Å; I371-V396 HydrophobicContact CG1-CG1 4.29Å; E386-V396 HydrophobicContact CB-CG2 4.31Å; E386-V396 HydrophobicContact CG-CB 4.23Å; E386-V396 HydrophobicContact CG-CG1 3.75Å; E386-V396 HydrophobicContact CG-CG2 4.04Å; A389-V396 HydrophobicContact CB-CG2 3.91Å; V396-H398 PolarHBondContact O-N 3.24Å
397D91.6Very high86.8Confident54 Ų5459.4 Ų59.429%0.28932%0.316SS..  trans-9079.3174.8177.223.4000111.5T365 L366 G368 E399 G400 F401T365-D397 HydrophobicContact CG2-CB 4.14Å; L366-D397 WeakPolarHBondContact O-CB 3.22Å; L366-D397 PolarHBondContact O-N 3.02Å; G368-D397 VanDerWaalsContact CA-O 3.29Å; G368-D397 WeakPolarHBondContact CA-O 3.49Å; G368-D397 PolarHBondContact N-OD2 3.32Å; D397-E399 VanDerWaalsContact C-N 3.34Å; D397-G400 PolarHBondContact O-N 3.49Å; D397-G400 PolarHBondContact OD1-N 3.2Å; D397-G400 WeakPolarHBondContact OD2-CA 3.47Å; D397-F401 PolarHBondContact O-N 3.14Å
398H87.2Confident86.3Confident90 Ų9061.9 Ų61.942%0.41733%0.328SS..Hα-helixtrans-64.8-36.1176.7-65.7-93000112.9E386 V396 G400 F401 E402E386-H398 IonicContact OE1-CE1 2.64Å; E386-H398 PolarHBondContact OE1-CE1 3.16Å; E386-H398 IonicContact OE1-ND1 3.48Å; E386-H398 PolarHBondContact OE1-ND1 3.32Å; E386-H398 IonicContact OE1-NE2 3.98Å; E386-H398 IonicContact OE2-CE1 3.3Å; E386-H398 PolarHBondContact OE2-CE1 2.96Å; V396-H398 PolarHBondContact O-N 3.24Å; H398-G400 VanDerWaalsContact C-N 3.33Å; H398-G400 PolarHBondContact O-N 3.45Å; H398-F401 WeakPolarHBondContact O-CB 3.5Å; H398-F401 PolarHBondContact O-N 2.9Å; H398-F401 VanDerWaalsContact O-N 3.17Å; H398-E402 PolarHBondContact O-N 3.19Å
399E88.7Confident85.4Confident163 Ų16365.5 Ų65.576%0.76234%0.342SS*.Hα-helixtrans-62.8-43178.9-70.1-173.8177.600110.8D397 F401 E402 V403D397-E399 VanDerWaalsContact C-N 3.34Å; E399-F401 VanDerWaalsContact C-N 3.3Å; E399-F401 PolarHBondContact O-N 3.2Å; E399-E402 PolarHBondContact O-N 3.35Å; E399-V403 WeakPolarHBondContact O-CG2 3.27Å; E399-V403 PolarHBondContact O-N 2.92Å
400G88.7Confident84.6Confident17 Ų1770.8 Ų70.818%0.17537%0.367CS..Hα-helixtrans-60.7-36.6173.800000113.3D397 H398 E404D397-G400 PolarHBondContact O-N 3.49Å; D397-G400 PolarHBondContact OD1-N 3.2Å; D397-G400 WeakPolarHBondContact OD2-CA 3.47Å; H398-G400 VanDerWaalsContact C-N 3.33Å; H398-G400 PolarHBondContact O-N 3.45Å; G400-E404 PolarHBondContact O-N 2.92Å
401F87.1Confident83.6Confident14 Ų1473.2 Ų73.26%0.06137%0.372CS..Hα-helixtrans-66-46.6175168.7-98.2000111.7I371 F372 Y375 V382 D397 H398 E399 V403 E404 M405I371-F401 HydrophobicContact CB-CD2 4.18Å; I371-F401 HydrophobicContact CG2-CD2 3.84Å; I371-F401 HydrophobicContact CG2-CE2 4.39Å; I371-F401 HydrophobicContact CG2-CG 4.33Å; F372-F401 HydrophobicContact CB-CD2 3.93Å; F372-F401 HydrophobicContact CB-CE2 4.32Å; F372-F401 HydrophobicContact CD2-CD2 4.4Å; F372-F401 HydrophobicContact CD2-CE2 4.17Å; Y375-F401 HydrophobicContact CD1-CE2 4.21Å; Y375-F401 HydrophobicContact CD1-CZ 4.41Å; Y375-F401 HydrophobicContact CG-CE2 4.31Å; V382-F401 HydrophobicContact CB-CZ 4.45Å; V382-F401 HydrophobicContact CG1-CD1 4.35Å; V382-F401 HydrophobicContact CG1-CE1 4.22Å; V382-F401 HydrophobicContact CG1-CE2 4.38Å; V382-F401 HydrophobicContact CG1-CG 4.5Å; V382-F401 HydrophobicContact CG1-CZ 4.25Å; V382-F401 HydrophobicContact CG2-CD2 4.4Å; V382-F401 HydrophobicContact CG2-CE1 4.11Å; V382-F401 HydrophobicContact CG2-CE2 3.56Å; V382-F401 HydrophobicContact CG2-CZ 3.4Å; V382-F401 VanDerWaalsContact CG2-CZ 3.4Å; D397-F401 PolarHBondContact O-N 3.14Å; H398-F401 WeakPolarHBondContact O-CB 3.5Å; H398-F401 PolarHBondContact O-N 2.9Å; H398-F401 VanDerWaalsContact O-N 3.17Å; E399-F401 VanDerWaalsContact C-N 3.3Å; E399-F401 PolarHBondContact O-N 3.2Å; F401-V403 VanDerWaalsContact C-N 3.29Å; F401-V403 PolarHBondContact O-N 3.35Å; F401-E404 PolarHBondContact O-N 3.37Å; F401-E404 VanDerWaalsContact O-N 3.13Å; F401-M405 HydrophobicContact CD1-CG 4.14Å; F401-M405 HydrophobicContact CD2-CG 4.39Å; F401-M405 HydrophobicContact CE1-CG 3.51Å; F401-M405 HydrophobicContact CE1-SD 4.49Å; F401-M405 HydrophobicContact CE2-CG 3.81Å; F401-M405 HydrophobicContact CE2-SD 4.24Å; F401-M405 HydrophobicContact CZ-CG 3.31Å; F401-M405 HydrophobicContact CZ-SD 3.79Å; F401-M405 PolarHBondContact O-N 2.9Å
402E85.8Confident82.1Confident106 Ų10673 Ų7350%0.49538%0.379SS..Hα-helixtrans-62.5-35.4178.8-76.5-57.914000112.4H398 E399 E404 M405 Q406H398-E402 PolarHBondContact O-N 3.19Å; E399-E402 PolarHBondContact O-N 3.35Å; E402-E404 PolarHBondContact O-N 3.33Å; E402-M405 PolarHBondContact O-N 3.3Å; E402-Q406 WeakPolarHBondContact O-CB 3.43Å; E402-Q406 PolarHBondContact O-N 3.28Å
403V89.3Confident80.2Confident97 Ų9776.8 Ų76.859%0.58839%0.389SS*.Hα-helixtrans-60.1-45173.1169.90000111.4E399 F401 Q406 A407E399-V403 WeakPolarHBondContact O-CG2 3.27Å; E399-V403 PolarHBondContact O-N 2.92Å; F401-V403 VanDerWaalsContact C-N 3.29Å; F401-V403 PolarHBondContact O-N 3.35Å; V403-Q406 PolarHBondContact O-N 3.33Å; V403-A407 WeakPolarHBondContact O-CB 3.49Å; V403-A407 PolarHBondContact O-N 3.48Å
404E86.8Confident78.5Confident46 Ų4678.1 Ų78.122%0.21539%0.394CS..Hα-helixtrans-70.4-37.7178.1-68-66.1161.900112.4K369 F372 G400 F401 E402 A407 Q408K369-E404 WeakPolarHBondContact CE-OE1 3.47Å; K369-E404 HydrophobicContact CG-CG 4Å; F372-E404 HydrophobicContact CB-CB 3.83Å; F372-E404 HydrophobicContact CB-CG 4.29Å; F372-E404 HydrophobicContact CD1-CB 3.89Å; F372-E404 HydrophobicContact CD1-CG 4.45Å; F372-E404 HydrophobicContact CD2-CB 3.62Å; F372-E404 HydrophobicContact CE1-CB 4.42Å; F372-E404 HydrophobicContact CE2-CB 4.17Å; F372-E404 HydrophobicContact CG-CB 3.47Å; F372-E404 VanDerWaalsContact CG-CB 3.47Å; F372-E404 HydrophobicContact CG-CG 4.26Å; G400-E404 PolarHBondContact O-N 2.92Å; F401-E404 PolarHBondContact O-N 3.37Å; F401-E404 VanDerWaalsContact O-N 3.13Å; E402-E404 PolarHBondContact O-N 3.33Å; E404-A407 PolarHBondContact O-N 3.21Å; E404-Q408 WeakPolarHBondContact O-CB 3.42Å; E404-Q408 PolarHBondContact O-N 3.48Å
405M81.4Confident76.2Confident22 Ų2281.4 Ų81.411%0.10842%0.423CS..Hα-helixtrans-60.2-44.6172.5-81.5-62.7-69.800112F372 Y375 F401 E402 Q408 K409F372-M405 HydrophobicContact CD2-CG 4.2Å; F372-M405 HydrophobicContact CD2-SD 4.11Å; F372-M405 HydrophobicContact CE2-CG 4.36Å; F372-M405 HydrophobicContact CE2-SD 3.86Å; Y375-M405 HydrophobicContact CD1-SD 4.08Å; Y375-M405 HydrophobicContact CE1-CE 4.2Å; Y375-M405 HydrophobicContact CE1-SD 3.62Å; F401-M405 HydrophobicContact CD1-CG 4.14Å; F401-M405 HydrophobicContact CD2-CG 4.39Å; F401-M405 HydrophobicContact CE1-CG 3.51Å; F401-M405 HydrophobicContact CE1-SD 4.49Å; F401-M405 HydrophobicContact CE2-CG 3.81Å; F401-M405 HydrophobicContact CE2-SD 4.24Å; F401-M405 HydrophobicContact CZ-CG 3.31Å; F401-M405 HydrophobicContact CZ-SD 3.79Å; F401-M405 PolarHBondContact O-N 2.9Å; E402-M405 PolarHBondContact O-N 3.3Å; M405-Q408 PolarHBondContact O-N 3.45Å; M405-K409 WeakPolarHBondContact O-CG 3.44Å; M405-K409 PolarHBondContact O-N 2.82Å
406Q79.2Confident73.3Confident77 Ų7784.3 Ų84.336%0.3643%0.43SS..Hα-helixtrans-64.7-42.3176.7-175.858.421.400111E402 V403 Q408 K409 E410E402-Q406 WeakPolarHBondContact O-CB 3.43Å; E402-Q406 PolarHBondContact O-N 3.28Å; V403-Q406 PolarHBondContact O-N 3.33Å; Q406-Q408 VanDerWaalsContact C-N 3.31Å; Q406-Q408 PolarHBondContact O-N 2.97Å; Q406-K409 PolarHBondContact O-N 2.99Å; Q406-E410 PolarHBondContact NE2-OE1 2.86Å; Q406-E410 WeakPolarHBondContact O-CB 3.18Å; Q406-E410 WeakPolarHBondContact O-CG 3.41Å; Q406-E410 PolarHBondContact O-N 3.3Å
407A80.6Confident70.3Confident35 Ų3590.1 Ų90.129%0.28947%0.466SS..Hα-helixtrans-63.4-32.9174.700000113V403 E404 R411V403-A407 WeakPolarHBondContact O-CB 3.49Å; V403-A407 PolarHBondContact O-N 3.48Å; E404-A407 PolarHBondContact O-N 3.21Å; A407-R411 WeakPolarHBondContact O-CG 3.48Å; A407-R411 PolarHBondContact O-N 3.43Å; A407-R411 VanDerWaalsContact O-N 3.17Å; A407-R411 PolarHBondContact O-NE 3.28Å; A407-R411 VanDerWaalsContact O-NE 3.13Å
408Q73.7Confident67.3Low56 Ų5693.9 Ų93.926%0.26249%0.491SS..Hα-helixtrans-70.7-44.8173.1-166.3-146.936.600111.4F372 D376 E404 M405 Q406 E410 R411 A412F372-Q408 HydrophobicContact CE2-CB 4.1Å; F372-Q408 HydrophobicContact CE2-CG 4.48Å; F372-Q408 HydrophobicContact CZ-CB 3.9Å; F372-Q408 HydrophobicContact CZ-CG 4.05Å; D376-Q408 PolarHBondContact OD1-NE2 3.39Å; E404-Q408 WeakPolarHBondContact O-CB 3.42Å; E404-Q408 PolarHBondContact O-N 3.48Å; M405-Q408 PolarHBondContact O-N 3.45Å; Q406-Q408 VanDerWaalsContact C-N 3.31Å; Q406-Q408 PolarHBondContact O-N 2.97Å; Q408-E410 VanDerWaalsContact C-N 3.33Å; Q408-E410 PolarHBondContact O-N 2.94Å; Q408-R411 WeakPolarHBondContact O-CB 3.37Å; Q408-R411 PolarHBondContact O-N 3.21Å; Q408-A412 PolarHBondContact O-N 2.86Å
409K69Low64.3Low90 Ų9098.3 Ų98.339%0.39151%0.512SS..Hα-helixtrans-59.3-42174.6-75.5173.6-176.5166.20111.8M405 Q406 A412 R413M405-K409 WeakPolarHBondContact O-CG 3.44Å; M405-K409 PolarHBondContact O-N 2.82Å; Q406-K409 PolarHBondContact O-N 2.99Å; K409-A412 PolarHBondContact O-N 3.38Å; K409-R413 WeakPolarHBondContact O-CB 3.36Å; K409-R413 VanDerWaalsContact O-CG 3.3Å; K409-R413 WeakPolarHBondContact O-CG 3.42Å; K409-R413 PolarHBondContact O-N 2.87Å
410E71.1Confident61.2Low111 Ų111100.5 Ų100.552%0.51952%0.519SS..Hα-helixtrans-65-42.1176.6-75175.3-170.900112.2Q406 Q408 A412 R413 A414Q406-E410 PolarHBondContact NE2-OE1 2.86Å; Q406-E410 WeakPolarHBondContact O-CB 3.18Å; Q406-E410 WeakPolarHBondContact O-CG 3.41Å; Q406-E410 PolarHBondContact O-N 3.3Å; Q408-E410 VanDerWaalsContact C-N 3.33Å; Q408-E410 PolarHBondContact O-N 2.94Å; E410-A412 VanDerWaalsContact C-N 3.34Å; E410-A412 PolarHBondContact O-N 3.27Å; E410-R413 PolarHBondContact O-N 2.76Å; E410-A414 WeakPolarHBondContact O-CB 3.37Å; E410-A414 PolarHBondContact O-N 3.45Å
411R68.1Low58.1Low147 Ų147104.8 Ų104.856%0.55555%0.546SS*.Hα-helixtrans-58.6-43171-78.3179.2-81163.8-8.1112.1A407 Q408A407-R411 WeakPolarHBondContact O-CG 3.48Å; A407-R411 PolarHBondContact O-N 3.43Å; A407-R411 VanDerWaalsContact O-N 3.17Å; A407-R411 PolarHBondContact O-NE 3.28Å; A407-R411 VanDerWaalsContact O-NE 3.13Å; Q408-R411 WeakPolarHBondContact O-CB 3.37Å; Q408-R411 PolarHBondContact O-N 3.21Å
412A52.8Low55.2Low57 Ų57113 Ų11347%0.47159%0.587SS.*Hα-helixtrans-69.2-37.8178.200000112.8Q408 K409 E410 A415Q408-A412 PolarHBondContact O-N 2.86Å; K409-A412 PolarHBondContact O-N 3.38Å; E410-A412 VanDerWaalsContact C-N 3.34Å; E410-A412 PolarHBondContact O-N 3.27Å; A412-A415 PolarHBondContact O-N 3.48Å
413R46.5Very low52.5Low175 Ų175111.6 Ų111.666%0.6660%0.601SS**Hα-helixtrans-69.1-37.7176.5-76.2175.9179.2-178.70.4112.3K409 E410 A415 R416K409-R413 WeakPolarHBondContact O-CB 3.36Å; K409-R413 VanDerWaalsContact O-CG 3.3Å; K409-R413 WeakPolarHBondContact O-CG 3.42Å; K409-R413 PolarHBondContact O-N 2.87Å; E410-R413 PolarHBondContact O-N 2.76Å; R413-A415 PolarHBondContact O-N 3.06Å; R413-A415 VanDerWaalsContact O-N 3.1Å; R413-R416 PolarHBondContact O-N 3.02Å; R413-R416 VanDerWaalsContact O-N 3.1Å
414A49.9Very low49.6Very low94 Ų94113.4 Ų113.478%0.77761%0.612SS**THydrogen-bonded Turntrans-61-17.517400000113.3E410E410-A414 WeakPolarHBondContact O-CB 3.37Å; E410-A414 PolarHBondContact O-N 3.45Å
415A42Very low47.4Very low85 Ų85119.4 Ų119.470%0.70264%0.64SS**THydrogen-bonded Turntrans-95.8-1.1177.700000114.7A412 R413A412-A415 PolarHBondContact O-N 3.48Å; R413-A415 PolarHBondContact O-N 3.06Å; R413-A415 VanDerWaalsContact O-N 3.1Å
416R29.5Very low45.8Very low211 Ų211121 Ų12180%0.79665%0.651SS**  trans-116125.2-175.4-79.9-174.9175179.1-0.2113.2R413R413-R416 PolarHBondContact O-N 3.02Å; R413-R416 VanDerWaalsContact O-N 3.1Å
417T27.8Very low44.7Very low145 Ų145121.4 Ų121.489%0.8967%0.667SS**PPolyproline II helixtrans-71.3130168.7-22.20000109.9
418T27.7Very low44.1Very low133 Ų133121.8 Ų121.882%0.81667%0.665SS**PPolyproline II helixtrans-83.2116.1-168.9-31.40000111.8
419E24.8Very low43.8Very low184 Ų184120.2 Ų120.286%0.8666%0.658SS**PPolyproline II helixtrans-94.9136.5164.8-78.3-84.5137.500109.2
420K24.7Very low43.9Very low208 Ų208117.4 Ų117.490%0.90465%0.654SS**PPolyproline II helixtrans-86.8121.3-172.3-74.5179.8175.8-179.80111.3
421S23.7Very low44Very low108 Ų108118.1 Ų118.176%0.75566%0.662SS**PPolyproline II helixtrans-96.5137.7174.157.30000112.9
422M25.1Very low44.5Very low186 Ų186111.5 Ų111.592%0.91664%0.637SS**  trans58.2115.7160-71.5-139.9-73.700120.1
423G29.7Very low46Very low76 Ų76116.8 Ų116.878%0.78465%0.65SS**  trans-76.1146.6167.400000112.7
424V28.6Very low48Very low136 Ų136110.8 Ų110.882%0.82463%0.632SS**  trans-71.3128.1-177.3178.20000110.2T426V424-T426 PolarHBondContact O-N 3.15Å
425Q40.2Very low50Low171 Ų171110.3 Ų110.380%0.79963%0.629SS**  trans-71.2113.3169.8-64.7-178.73000109.3
426T47Very low52.5Low57 Ų57107.6 Ų107.635%0.3560%0.604SS.*  trans-82.3140.3177.8-21.30000110.6V424 L428 L429V424-T426 PolarHBondContact O-N 3.15Å; T426-L428 PolarHBondContact O-N 3.39Å; T426-L429 PolarHBondContact O-N 3.4Å
427A56.7Low55.6Low84 Ų84101.4 Ų101.469%0.69459%0.59SS**G310 helixtrans-51.9-29.8179.600000114.2L429 G430A427-L429 VanDerWaalsContact C-N 3.27Å; A427-L429 PolarHBondContact O-N 3.18Å; A427-G430 PolarHBondContact O-N 3.14Å; A427-G430 VanDerWaalsContact O-N 3.13Å
428L66.9Low58.9Low44 Ų4497 Ų9723%0.2356%0.558CS.*G310 helixtrans-55.4-36179.8-170.478.2000114.1T426 G430 L454 D457 I459T426-L428 PolarHBondContact O-N 3.39Å; L428-G430 VanDerWaalsContact C-N 3.34Å; L428-L454 HydrophobicContact CD2-CD2 3.45Å; L428-L454 VanDerWaalsContact CD2-CD2 3.45Å; L428-L454 HydrophobicContact CG-CD2 4.25Å; L428-D457 VanDerWaalsContact CD2-O 3.3Å; L428-D457 WeakPolarHBondContact CD2-O 3.42Å; L428-I459 HydrophobicContact CD1-CD1 4.17Å; L428-I459 HydrophobicContact CD1-CG1 4.16Å; L428-I459 HydrophobicContact CD2-CG1 4.38Å; L428-I459 HydrophobicContact CG-CG1 4.34Å
429L69.2Low62.2Low23 Ų2392 Ų9212%0.1253%0.528CS..G310 helixtrans-72.1-28.7-178.4-70.2174.3000112.5T426 A427 D431 I432 L454 P509 L514T426-L429 PolarHBondContact O-N 3.4Å; A427-L429 VanDerWaalsContact C-N 3.27Å; A427-L429 PolarHBondContact O-N 3.18Å; L429-D431 VanDerWaalsContact C-N 3.31Å; L429-D431 PolarHBondContact O-N 3.48Å; L429-I432 HydrophobicContact CD2-CD1 4.18Å; L429-I432 PolarHBondContact O-N 3.36Å; L429-L454 HydrophobicContact CD2-CD1 3.62Å; L429-P509 HydrophobicContact CB-CG 3.97Å; L429-L514 HydrophobicContact CD1-CD2 4.38Å; L429-L514 HydrophobicContact CD2-CD2 3.87Å
430G69.4Low65.6Low31 Ų3183.3 Ų83.332%0.3249%0.488SS..THydrogen-bonded Turntrans-69.4-28.4178.900000113.3A427 L428 I432 N510A427-G430 PolarHBondContact O-N 3.14Å; A427-G430 VanDerWaalsContact O-N 3.13Å; L428-G430 VanDerWaalsContact C-N 3.34Å; G430-I432 VanDerWaalsContact C-N 3.32Å; G430-I432 PolarHBondContact O-N 3.41Å; G430-N510 PolarHBondContact O-ND2 2.82Å
431D75Confident69Low126 Ų12677.4 Ų77.467%0.67446%0.46SS*.THydrogen-bonded Turntrans-79-13.5-179.6-71.1-29.9000113.5L429 K433L429-D431 VanDerWaalsContact C-N 3.31Å; L429-D431 PolarHBondContact O-N 3.48Å; D431-K433 PolarHBondContact O-N 2.96Å
432I77.6Confident72.3Confident7 Ų780.2 Ų80.24%0.03646%0.462CS..  trans-79.4104.2179.8-60.3168.5000110L429 G430 V434 V452 L454 I459 I471 N510 Q512L429-I432 HydrophobicContact CD2-CD1 4.18Å; L429-I432 PolarHBondContact O-N 3.36Å; G430-I432 VanDerWaalsContact C-N 3.32Å; G430-I432 PolarHBondContact O-N 3.41Å; I432-V434 HydrophobicContact CG2-CG2 3.87Å; I432-V452 HydrophobicContact CD1-CG1 4.12Å; I432-V452 HydrophobicContact CG2-CG2 4.01Å; I432-L454 HydrophobicContact CD1-CD1 3.83Å; I432-L454 HydrophobicContact CD1-CD2 4.22Å; I432-L454 HydrophobicContact CD1-CG 4.36Å; I432-I459 HydrophobicContact CG1-CD1 4.22Å; I432-I471 HydrophobicContact CD1-CD1 4.24Å; I432-I471 HydrophobicContact CG2-CD1 3.72Å; I432-N510 PolarHBondContact O-ND2 3.39Å; I432-Q512 PolarHBondContact O-NE2 3.26Å
433K84.5Confident75.7Confident169 Ų16976.2 Ų76.274%0.73544%0.44SS*.  trans-110.813.1-176.2-63-177.6-179-1780114.4D431D431-K433 PolarHBondContact O-N 2.96Å
434V88.5Confident78.9Confident48 Ų4875.5 Ų75.529%0.29142%0.418SS..  trans-63.6142.5178-59.70000110.5I432 L451 V452 I471 Q512I432-V434 HydrophobicContact CG2-CG2 3.87Å; V434-L451 HydrophobicContact CB-CB 4.46Å; V434-L451 HydrophobicContact CB-CD1 4.01Å; V434-L451 HydrophobicContact CG2-CB 4.19Å; V434-L451 HydrophobicContact CG2-CD1 4.05Å; V434-V452 HydrophobicContact CG1-CG2 4.07Å; V434-V452 HydrophobicContact CG2-CG2 3.93Å; V434-I471 HydrophobicContact CG2-CG2 3.9Å; V434-Q512 VanDerWaalsContact O-CG 3.25Å; V434-Q512 WeakPolarHBondContact O-CG 3.45Å; V434-Q512 PolarHBondContact O-NE2 2.99Å
435A91.3Very high82.2Confident85 Ų8573.4 Ų73.470%0.70240%0.4SS*.  trans-76.5133.3175.200000110L451A435-L451 WeakPolarHBondContact O-CD1 3.45Å
436S94.2Very high84.9Confident27 Ų2766 Ų6619%0.18937%0.366CS..  trans-138.7126.2178.5-177.90000109F472 A473S436-F472 VanDerWaalsContact CB-O 3.3Å; S436-F472 WeakPolarHBondContact CB-O 3.4Å; S436-F472 PolarHBondContact OG-O 3.42Å; S436-A473 CarbonylContact C-O 3.59Å; S436-A473 WeakPolarHBondContact CA-O 3.27Å
437T95.6Very high87.3Confident81 Ų8169.3 Ų69.350%0.49738%0.378SS..EExtended strand (participates in β ladder)trans-111.2131-175.1-56.80000110.8V439 A473 E474 T475T437-V439 HydrophobicContact CG2-CG1 4.36Å; T437-A473 PolarHBondContact N-O 2.88Å; T437-E474 CarbonylContact O-C 3.53Å; T437-E474 VanDerWaalsContact O-CA 3.23Å; T437-E474 WeakPolarHBondContact O-CA 3.42Å; T437-T475 PolarHBondContact O-N 3.33Å
438F96.3Very high89.3Confident52 Ų5265.6 Ų65.623%0.22835%0.347CS..EExtended strand (participates in β ladder)trans-83.2122171175.9-110.6000110.4G440 Y441 T475 P476 F477 Y478 T650F438-G440 VanDerWaalsContact CZ-C 3.41Å; F438-Y441 AromaticContact CD1-CD2 3.84Å; F438-Y441 HydrophobicContact CD1-CD2 3.84Å; F438-Y441 HydrophobicContact CD1-CE1 4.44Å; F438-Y441 AromaticContact CD1-CE2 3.62Å; F438-Y441 HydrophobicContact CD1-CE2 3.62Å; F438-Y441 HydrophobicContact CD1-CG 4.35Å; F438-Y441 AromaticContact CD1-CZ 3.95Å; F438-Y441 AromaticContact CE1-CD1 3.76Å; F438-Y441 HydrophobicContact CE1-CD1 3.76Å; F438-Y441 AromaticContact CE1-CD2 3.7Å; F438-Y441 HydrophobicContact CE1-CD2 3.7Å; F438-Y441 AromaticContact CE1-CE1 3.73Å; F438-Y441 HydrophobicContact CE1-CE1 3.73Å; F438-Y441 AromaticContact CE1-CE2 3.68Å; F438-Y441 HydrophobicContact CE1-CE2 3.68Å; F438-Y441 AromaticContact CE1-CG 3.74Å; F438-Y441 HydrophobicContact CE1-CG 3.74Å; F438-Y441 AromaticContact CE1-CZ 3.69Å; F438-T475 WeakPolarHBondContact CA-O 3.07Å; F438-T475 WeakPolarHBondContact CD2-O 3.34Å; F438-P476 WeakPolarHBondContact CE2-O 3.41Å; F438-F477 WeakPolarHBondContact CD2-O 3.31Å; F438-F477 VanDerWaalsContact CE2-C 3.44Å; F438-F477 WeakPolarHBondContact CE2-O 3.5Å; F438-Y478 HydrophobicContact CE1-CD2 4.1Å; F438-Y478 HydrophobicContact CE2-CD2 4.3Å; F438-Y478 AromaticContact CZ-CD2 3.72Å; F438-Y478 HydrophobicContact CZ-CD2 3.72Å; F438-Y478 HydrophobicContact CZ-CG 4.46Å; F438-T650 HydrophobicContact CZ-CG2 4.27Å
439V97.2Very high90.7Very high30 Ų3067.4 Ų67.418%0.18235%0.354CS..  trans-110.85.2178-60.80000112.4T437 Y441 E442 H443 E474 T475T437-V439 HydrophobicContact CG2-CG1 4.36Å; V439-Y441 PolarHBondContact O-N 3.27Å; V439-Y441 VanDerWaalsContact O-N 3.16Å; V439-E442 PolarHBondContact O-N 3.06Å; V439-H443 PolarHBondContact O-N 2.97Å; V439-E474 HydrophobicContact CG1-CB 4.31Å; V439-E474 HydrophobicContact CG1-CG 4.41Å; V439-T475 WeakPolarHBondContact CG2-O 3.4Å; V439-T475 PolarHBondContact N-O 3.32Å
440G96.7Very high92.1Very high1 Ų166.3 Ų66.31%0.0135%0.348CS..THydrogen-bonded Turntrans-76.21-168.100000116.7F438 H443 P476 R538F438-G440 VanDerWaalsContact CZ-C 3.41Å; G440-H443 VanDerWaalsContact CA-O 3.28Å; G440-H443 WeakPolarHBondContact CA-O 3.43Å; G440-P476 VanDerWaalsContact CA-O 3.3Å; G440-P476 WeakPolarHBondContact CA-O 3.46Å; G440-R538 PolarHBondContact O-NH1 3.42Å
441Y95.4Very high93.4Very high83 Ų8366.4 Ų66.433%0.32534%0.341SS..THydrogen-bonded Turntrans-72.7-36.9171.8-66.1-57000111.9F438 V439 G648 G649 T650F438-Y441 AromaticContact CD1-CD2 3.84Å; F438-Y441 HydrophobicContact CD1-CD2 3.84Å; F438-Y441 HydrophobicContact CD1-CE1 4.44Å; F438-Y441 AromaticContact CD1-CE2 3.62Å; F438-Y441 HydrophobicContact CD1-CE2 3.62Å; F438-Y441 HydrophobicContact CD1-CG 4.35Å; F438-Y441 AromaticContact CD1-CZ 3.95Å; F438-Y441 AromaticContact CE1-CD1 3.76Å; F438-Y441 HydrophobicContact CE1-CD1 3.76Å; F438-Y441 AromaticContact CE1-CD2 3.7Å; F438-Y441 HydrophobicContact CE1-CD2 3.7Å; F438-Y441 AromaticContact CE1-CE1 3.73Å; F438-Y441 HydrophobicContact CE1-CE1 3.73Å; F438-Y441 AromaticContact CE1-CE2 3.68Å; F438-Y441 HydrophobicContact CE1-CE2 3.68Å; F438-Y441 AromaticContact CE1-CG 3.74Å; F438-Y441 HydrophobicContact CE1-CG 3.74Å; F438-Y441 AromaticContact CE1-CZ 3.69Å; V439-Y441 PolarHBondContact O-N 3.27Å; V439-Y441 VanDerWaalsContact O-N 3.16Å; Y441-G648 PolarHBondContact OH-O 3.27Å; Y441-G649 WeakPolarHBondContact CE1-O 3.46Å; Y441-T650 HydrophobicContact CD1-CG2 4.07Å; Y441-T650 HydrophobicContact CE1-CG2 4.31Å
442E92.9Very high94.4Very high168 Ų16860.9 Ų60.979%0.78531%0.312SS*.THydrogen-bonded Turntrans-109.2-23.7-175.2-61.4-176.8174.600112.6V439V439-E442 PolarHBondContact O-N 3.06Å
443H96.2Very high95.3Very high101 Ų10160.6 Ų60.647%0.46831%0.311SS..  trans-129.7134.6-172.3-56.4-40.7000111.4V439 G440 E445 P476V439-H443 PolarHBondContact O-N 2.97Å; G440-H443 VanDerWaalsContact CA-O 3.28Å; G440-H443 WeakPolarHBondContact CA-O 3.43Å; H443-E445 VanDerWaalsContact C-N 3.34Å; H443-P476 WeakPolarHBondContact O-CB 3.4Å
444L97.5Very high95.6Very high62 Ų6252.6 Ų52.633%0.32528%0.276SS..SBendtrans-92.6-3.4170.9-62.9-179.3000112.4V533 A535 R538L444-V533 HydrophobicContact CB-CB 4.35Å; L444-V533 HydrophobicContact CD2-CB 4.31Å; L444-V533 HydrophobicContact CD2-CG1 4.29Å; L444-V533 PolarHBondContact O-N 3.03Å; L444-A535 HydrophobicContact CD1-CB 3.61Å; L444-R538 HydrophobicContact CD2-CG 4.06Å
445E97.7Very high95.7Very high92 Ų9253 Ų5343%0.4327%0.274SS..EExtended strand (participates in β ladder)trans-139.6140.6-173.5-71.7172.2-167.900109.6H443 F530 L531 Q532H443-E445 VanDerWaalsContact C-N 3.34Å; E445-F530 HydrophobicContact CB-CE1 4.27Å; E445-F530 HydrophobicContact CB-CE2 4.26Å; E445-F530 HydrophobicContact CB-CZ 3.65Å; E445-F530 HydrophobicContact CG-CE1 4.07Å; E445-F530 HydrophobicContact CG-CZ 3.85Å; E445-F530 WeakPolarHBondContact OE2-CZ 3.37Å; E445-L531 CarbonylContact C-O 3.57Å; E445-L531 WeakPolarHBondContact CA-O 3.32Å; E445-Q532 HydrophobicContact CG-CB 4.1Å; E445-Q532 HydrophobicContact CG-CG 3.79Å; E445-Q532 PolarHBondContact OE1-NE2 2.93Å
446S97.1Very high95.3Very high15 Ų1556 Ų5611%0.10528%0.278CS..EExtended strand (participates in β ladder)trans-154.6144.4174.5170.70000110.6L531S446-L531 PolarHBondContact N-O 2.93Å; S446-L531 WeakPolarHBondContact O-CB 3.4Å; S446-L531 PolarHBondContact O-N 3.44Å
447E97.6Very high94.5Very high127 Ų12759 Ų5959%0.59329%0.292SS*.EExtended strand (participates in β ladder)trans-92.2117.7165.9-176.5-176.6-154.900108.7K528 Y529 F530E447-K528 HydrophobicContact CG-CB 4.36Å; E447-Y529 WeakPolarHBondContact CA-O 3.32Å; E447-F530 HydrophobicContact CB-CD2 4.47Å
448S97.7Very high94Very high5 Ų557.1 Ų57.14%0.03529%0.285CS..EExtended strand (participates in β ladder)trans-138.9151.1-173.9-160.80000113.8E474 K528 Y529S448-E474 WeakPolarHBondContact CB-O 3.49Å; S448-E474 WeakPolarHBondContact OG-CA 3.32Å; S448-E474 PolarHBondContact OG-N 2.91Å; S448-E474 PolarHBondContact OG-O 2.87Å; S448-K528 WeakPolarHBondContact O-CA 3.33Å; S448-Y529 PolarHBondContact N-O 2.94Å; S448-Y529 PolarHBondContact O-N 3.49Å
449E97.8Very high93.7Very high82 Ų8258.5 Ų58.538%0.38329%0.294SS..EExtended strand (participates in β ladder)trans-78.2132.4176-173.1176.7164.700110.9L451 F472 A473 E527 K528E449-L451 HydrophobicContact CG-CD2 4.21Å; E449-L451 PolarHBondContact O-N 2.91Å; E449-F472 WeakPolarHBondContact O-CA 3.41Å; E449-A473 HydrophobicContact CB-CB 4.43Å; E449-A473 PolarHBondContact O-N 3.5Å; E449-E527 WeakPolarHBondContact CA-O 3.34Å; E449-K528 HydrophobicContact CB-CG 4.3Å
450L98Very high93.4Very high0 Ų059.2 Ų59.20%030%0.298CS..EExtended strand (participates in β ladder)trans-78.1113.4172.8177.455.1000109.7I453 L470 F472 L523 G526 E527 Y529L450-I453 HydrophobicContact CD1-CG1 4.2Å; L450-I453 HydrophobicContact CD2-CD1 3.7Å; L450-I453 HydrophobicContact CD2-CG1 3.72Å; L450-I453 HydrophobicContact CG-CD1 4.38Å; L450-I453 HydrophobicContact CG-CG1 3.99Å; L450-L470 HydrophobicContact CD1-CB 3.83Å; L450-L470 HydrophobicContact CD1-CD1 4.45Å; L450-L470 HydrophobicContact CD1-CD2 4.1Å; L450-L470 HydrophobicContact CD1-CG 4.35Å; L450-L470 HydrophobicContact CD2-CD2 4.43Å; L450-F472 HydrophobicContact CB-CD1 4.14Å; L450-F472 HydrophobicContact CB-CE1 3.74Å; L450-F472 HydrophobicContact CB-CZ 4.34Å; L450-F472 HydrophobicContact CD1-CD1 4.39Å; L450-F472 HydrophobicContact CD1-CE1 4.01Å; L450-F472 HydrophobicContact CD1-CE2 4.13Å; L450-F472 HydrophobicContact CD1-CZ 3.85Å; L450-F472 HydrophobicContact CG-CE1 4.39Å; L450-L523 HydrophobicContact CD2-CB 4.05Å; L450-L523 HydrophobicContact CD2-CD2 4.12Å; L450-G526 PolarHBondContact O-N 2.99Å; L450-E527 PolarHBondContact N-O 3.17Å; L450-Y529 HydrophobicContact CB-CD2 3.83Å; L450-Y529 HydrophobicContact CB-CE2 3.78Å; L450-Y529 HydrophobicContact CD2-CD2 4.25Å; L450-Y529 HydrophobicContact CD2-CE2 3.7Å; L450-Y529 HydrophobicContact CG-CE2 4.43Å
451L97.1Very high93.3Very high34 Ų3465 Ų6518%0.17833%0.329CS..EExtended strand (participates in β ladder)trans-94.5-35.1-173-61.8-178.9000113.7V434 A435 E449 I471 A473 E525V434-L451 HydrophobicContact CB-CB 4.46Å; V434-L451 HydrophobicContact CB-CD1 4.01Å; V434-L451 HydrophobicContact CG2-CB 4.19Å; V434-L451 HydrophobicContact CG2-CD1 4.05Å; A435-L451 WeakPolarHBondContact O-CD1 3.45Å; E449-L451 HydrophobicContact CG-CD2 4.21Å; E449-L451 PolarHBondContact O-N 2.91Å; L451-I471 PolarHBondContact N-O 2.88Å; L451-A473 VanDerWaalsContact CD1-CA 3.48Å; L451-A473 HydrophobicContact CD1-CB 3.8Å; L451-A473 HydrophobicContact CD2-CB 4.23Å; L451-A473 HydrophobicContact CG-CB 4.05Å; L451-E525 WeakPolarHBondContact O-CG 3.36Å
452V95.3Very high93.3Very high10 Ų1066 Ų666%0.06134%0.338CS..EExtended strand (participates in β ladder)trans-145.1137.9-177.4-176.10000109.8I432 V434 L454 I459 L470 I471I432-V452 HydrophobicContact CD1-CG1 4.12Å; I432-V452 HydrophobicContact CG2-CG2 4.01Å; V434-V452 HydrophobicContact CG1-CG2 4.07Å; V434-V452 HydrophobicContact CG2-CG2 3.93Å; V452-L454 HydrophobicContact CG1-CG 4.22Å; V452-I459 HydrophobicContact CG1-CG1 4.33Å; V452-I459 HydrophobicContact CG1-CG2 4.29Å; V452-L470 WeakPolarHBondContact O-CA 3.13Å; V452-I471 HydrophobicContact CB-CB 4.17Å; V452-I471 HydrophobicContact CB-CD1 4.35Å; V452-I471 PolarHBondContact N-O 3.16Å; V452-I471 PolarHBondContact O-N 2.9Å
453I96.6Very high93.4Very high0 Ų058.1 Ų58.10%030%0.301CS..EExtended strand (participates in β ladder)trans-119.9131171.1-52.6173.2000108.6L450 I459 V460 V463 L470 L523 E525L450-I453 HydrophobicContact CD1-CG1 4.2Å; L450-I453 HydrophobicContact CD2-CD1 3.7Å; L450-I453 HydrophobicContact CD2-CG1 3.72Å; L450-I453 HydrophobicContact CG-CD1 4.38Å; L450-I453 HydrophobicContact CG-CG1 3.99Å; I453-I459 WeakPolarHBondContact O-CA 3.23Å; I453-V460 HydrophobicContact CB-CG2 4.05Å; I453-V460 WeakPolarHBondContact CB-O 3.45Å; I453-V460 HydrophobicContact CG2-CG2 3.64Å; I453-V460 PolarHBondContact O-N 3.43Å; I453-V463 HydrophobicContact CD1-CG1 4.33Å; I453-V463 HydrophobicContact CG2-CB 3.69Å; I453-V463 HydrophobicContact CG2-CG1 3.47Å; I453-V463 VanDerWaalsContact CG2-CG1 3.47Å; I453-L470 HydrophobicContact CB-CD2 4.25Å; I453-L470 HydrophobicContact CG1-CD2 4Å; I453-L470 HydrophobicContact CG2-CD2 3.9Å; I453-L523 HydrophobicContact CD1-CB 4.47Å; I453-E525 HydrophobicContact CD1-CB 4.41Å
454L91.2Very high93.1Very high1 Ų154.7 Ų54.71%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-119.8125.9177.1-69.6167.6000109.7L428 L429 I432 V452 A458 I459 R469 L514L428-L454 HydrophobicContact CD2-CD2 3.45Å; L428-L454 VanDerWaalsContact CD2-CD2 3.45Å; L428-L454 HydrophobicContact CG-CD2 4.25Å; L429-L454 HydrophobicContact CD2-CD1 3.62Å; I432-L454 HydrophobicContact CD1-CD1 3.83Å; I432-L454 HydrophobicContact CD1-CD2 4.22Å; I432-L454 HydrophobicContact CD1-CG 4.36Å; V452-L454 HydrophobicContact CG1-CG 4.22Å; L454-A458 WeakPolarHBondContact CA-O 3.43Å; L454-I459 HydrophobicContact CD2-CB 4.39Å; L454-I459 HydrophobicContact CD2-CG1 3.49Å; L454-I459 VanDerWaalsContact CD2-CG1 3.49Å; L454-R469 HydrophobicContact CB-CB 4.05Å; L454-R469 HydrophobicContact CD1-CB 4.47Å; L454-R469 PolarHBondContact N-O 3.37Å; L454-R469 PolarHBondContact O-N 3.11Å; L454-L514 HydrophobicContact CD1-CD1 3.79Å
455K90.5Very high92.9Very high57 Ų5759 Ų5925%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-137.7135.5173.1-172.1176.6-164.1154.90109.3D457 A458 V460 V463 E465K455-D457 PolarHBondContact O-N 3.4Å; K455-D457 VanDerWaalsContact O-N 3.15Å; K455-A458 PolarHBondContact N-O 3.43Å; K455-A458 PolarHBondContact O-N 3.48Å; K455-V460 HydrophobicContact CB-CG2 4.33Å; K455-V463 HydrophobicContact CD-CG2 3.69Å; K455-V463 HydrophobicContact CG-CG2 4.48Å; K455-E465 PolarHBondContact NZ-O 2.73Å
456D83.3Confident92.7Very high148 Ų14856.1 Ų56.179%0.79131%0.307SS*.THydrogen-bonded Turntrans48.842.5178-55.7-41.6000113.3A458D456-A458 VanDerWaalsContact C-N 3.3Å; D456-A458 PolarHBondContact O-N 3.37Å
457D76.1Confident92.6Very high89 Ų8962.4 Ų62.448%0.47634%0.335SS..THydrogen-bonded Turntrans55.935.7-175.6-62.4-44.3000115L428 K455 R469L428-D457 VanDerWaalsContact CD2-O 3.3Å; L428-D457 WeakPolarHBondContact CD2-O 3.42Å; K455-D457 PolarHBondContact O-N 3.4Å; K455-D457 VanDerWaalsContact O-N 3.15Å; D457-R469 IonicContact OD1-CZ 3.99Å; D457-R469 IonicContact OD1-NH2 3.47Å; D457-R469 PolarHBondContact OD1-NH2 3.04Å
458A85.1Confident92.5Very high43 Ų4356.5 Ų56.536%0.35531%0.308SS..EExtended strand (participates in β ladder)trans-134.1146.516900000111.6L454 K455 D456L454-A458 WeakPolarHBondContact CA-O 3.43Å; K455-A458 PolarHBondContact N-O 3.43Å; K455-A458 PolarHBondContact O-N 3.48Å; D456-A458 VanDerWaalsContact C-N 3.3Å; D456-A458 PolarHBondContact O-N 3.37Å
459I89.7Confident92.4Very high81 Ų8158.9 Ų58.942%0.41532%0.316SS..EExtended strand (participates in β ladder)trans-76.7132.3169.1-62.9168.1000108.4L428 I432 V452 I453 L454L428-I459 HydrophobicContact CD1-CD1 4.17Å; L428-I459 HydrophobicContact CD1-CG1 4.16Å; L428-I459 HydrophobicContact CD2-CG1 4.38Å; L428-I459 HydrophobicContact CG-CG1 4.34Å; I432-I459 HydrophobicContact CG1-CD1 4.22Å; V452-I459 HydrophobicContact CG1-CG1 4.33Å; V452-I459 HydrophobicContact CG1-CG2 4.29Å; I453-I459 WeakPolarHBondContact O-CA 3.23Å; L454-I459 HydrophobicContact CD2-CB 4.39Å; L454-I459 HydrophobicContact CD2-CG1 3.49Å; L454-I459 VanDerWaalsContact CD2-CG1 3.49Å
460V92.6Very high92.4Very high44 Ų4455 Ų5527%0.26730%0.298SS..  trans-135.3148.8-179.3-63.10000111I453 K455 M462I453-V460 HydrophobicContact CB-CG2 4.05Å; I453-V460 WeakPolarHBondContact CB-O 3.45Å; I453-V460 HydrophobicContact CG2-CG2 3.64Å; I453-V460 PolarHBondContact O-N 3.43Å; K455-V460 HydrophobicContact CB-CG2 4.33Å; V460-M462 VanDerWaalsContact C-N 3.27Å; V460-M462 WeakPolarHBondContact CG2-O 3.36Å; V460-M462 PolarHBondContact O-N 3.24Å
461D94Very high92.3Very high123 Ų12355 Ų5566%0.65830%0.298SS*.SBendtrans-76.3-17.8179.2-51.8-17.4000112.8K524 E525D461-K524 WeakPolarHBondContact O-CA 3.25Å; D461-K524 WeakPolarHBondContact O-CG 3.19Å; D461-E525 PolarHBondContact O-N 3.46Å
462M95.1Very high92.4Very high105 Ų10553.4 Ų53.452%0.51729%0.289SS..EExtended strand (participates in β ladder)trans-153.7142.9-176.5-173.2-176.9-70.100110.9V460 L523 K524V460-M462 VanDerWaalsContact C-N 3.27Å; V460-M462 WeakPolarHBondContact CG2-O 3.36Å; V460-M462 PolarHBondContact O-N 3.24Å; M462-L523 CarbonylContact C-O 3.54Å; M462-L523 VanDerWaalsContact CA-O 3.27Å; M462-L523 WeakPolarHBondContact CA-O 3.31Å; M462-L523 VanDerWaalsContact CG-O 3.24Å; M462-L523 WeakPolarHBondContact CG-O 3.1Å; M462-K524 HydrophobicContact CE-CB 4.22Å; M462-K524 HydrophobicContact CE-CD 3.93Å; M462-K524 HydrophobicContact CE-CG 3.95Å
463V94.6Very high92.5Very high2 Ų254.2 Ų54.21%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-127.6131.8172.662.60000110.9I453 K455 A468 V519 S522 L523I453-V463 HydrophobicContact CD1-CG1 4.33Å; I453-V463 HydrophobicContact CG2-CB 3.69Å; I453-V463 HydrophobicContact CG2-CG1 3.47Å; I453-V463 VanDerWaalsContact CG2-CG1 3.47Å; K455-V463 HydrophobicContact CD-CG2 3.69Å; K455-V463 HydrophobicContact CG-CG2 4.48Å; V463-A468 HydrophobicContact CB-CB 4.44Å; V463-A468 HydrophobicContact CG1-CB 4.09Å; V463-A468 HydrophobicContact CG2-CB 3.83Å; V463-V519 HydrophobicContact CG1-CG2 4.09Å; V463-V519 HydrophobicContact CG2-CG2 4.4Å; V463-S522 VanDerWaalsContact O-CA 3.26Å; V463-S522 WeakPolarHBondContact O-CA 3.48Å; V463-L523 HydrophobicContact CG1-CB 3.87Å; V463-L523 HydrophobicContact CG1-CD1 4.17Å; V463-L523 PolarHBondContact N-O 3.34Å; V463-L523 PolarHBondContact O-N 3.44Å
464G91.2Very high92.6Very high29 Ų2958.6 Ų58.630%0.29932%0.317SS..  trans-87.7-171.4167.400000112.1V519G464-V519 WeakPolarHBondContact O-CG1 3.4Å
465E93.5Very high92.9Very high151 Ų15158.6 Ų58.671%0.70632%0.317SS*.SBendtrans-48.1147.2-178.1-67.2175.3-156.600114.2K455 V519K455-E465 PolarHBondContact NZ-O 2.73Å; E465-V519 VanDerWaalsContact CA-O 3.29Å; E465-V519 WeakPolarHBondContact CA-O 3.43Å
466G93.3Very high93.3Very high33 Ų3355.9 Ų55.934%0.3431%0.306SS..EExtended strand (participates in β ladder)trans116.5-169-178.600000113.3V519G466-V519 PolarHBondContact N-O 3.17Å; G466-V519 VanDerWaalsContact N-O 3.08Å; G466-V519 WeakPolarHBondContact O-CA 3.24Å; G466-V519 VanDerWaalsContact O-CB 3.23Å; G466-V519 WeakPolarHBondContact O-CB 3.38Å; G466-V519 WeakPolarHBondContact O-CG2 3.4Å; G466-V519 PolarHBondContact O-N 3.24Å
467E95.3Very high94Very high147 Ų14748.8 Ų48.869%0.68727%0.268SS*.EExtended strand (participates in β ladder)trans-77.8139.1-179-165177.2111.700111.6T516 V517E467-T516 HydrophobicContact CG-CG2 4.22Å; E467-V517 WeakPolarHBondContact CA-O 3.44Å
468A95.2Very high95Very high3 Ų344.7 Ų44.73%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-149.6164.2174.100000110.5V463 L470 V517 V519V463-A468 HydrophobicContact CB-CB 4.44Å; V463-A468 HydrophobicContact CG1-CB 4.09Å; V463-A468 HydrophobicContact CG2-CB 3.83Å; A468-L470 HydrophobicContact CB-CD2 4.47Å; A468-V517 HydrophobicContact CB-CG2 4.16Å; A468-V517 PolarHBondContact N-O 2.87Å; A468-V517 WeakPolarHBondContact O-CG2 3.49Å; A468-V517 PolarHBondContact O-N 3.42Å; A468-V519 HydrophobicContact CB-CG2 3.76Å
469R95Very high95.5Very high55 Ų5543.2 Ų43.221%0.20823%0.233CC..EExtended strand (participates in β ladder)trans-117136.6169.1-60169.7-73-174.9-7.8110.8L454 D457 L514 H515L454-R469 HydrophobicContact CB-CB 4.05Å; L454-R469 HydrophobicContact CD1-CB 4.47Å; L454-R469 PolarHBondContact N-O 3.37Å; L454-R469 PolarHBondContact O-N 3.11Å; D457-R469 IonicContact OD1-CZ 3.99Å; D457-R469 IonicContact OD1-NH2 3.47Å; D457-R469 PolarHBondContact OD1-NH2 3.04Å; R469-L514 HydrophobicContact CB-CD1 3.7Å; R469-L514 HydrophobicContact CB-CG 4.12Å; R469-H515 CarbonylContact C-O 3.6Å; R469-H515 WeakPolarHBondContact CA-O 3.39Å
470L97.3Very high95.7Very high0 Ų043.1 Ų43.10%023%0.231CC..EExtended strand (participates in β ladder)trans-127.2146.9-171.6-50.8179.3000111.9L450 V452 I453 A468 F472 I491 H515 V517 L523L450-L470 HydrophobicContact CD1-CB 3.83Å; L450-L470 HydrophobicContact CD1-CD1 4.45Å; L450-L470 HydrophobicContact CD1-CD2 4.1Å; L450-L470 HydrophobicContact CD1-CG 4.35Å; L450-L470 HydrophobicContact CD2-CD2 4.43Å; V452-L470 WeakPolarHBondContact O-CA 3.13Å; I453-L470 HydrophobicContact CB-CD2 4.25Å; I453-L470 HydrophobicContact CG1-CD2 4Å; I453-L470 HydrophobicContact CG2-CD2 3.9Å; A468-L470 HydrophobicContact CB-CD2 4.47Å; L470-F472 HydrophobicContact CB-CD2 4.42Å; L470-F472 HydrophobicContact CB-CE2 3.82Å; L470-F472 HydrophobicContact CD1-CE2 3.87Å; L470-F472 HydrophobicContact CD1-CZ 4.02Å; L470-I491 HydrophobicContact CD1-CD1 3.56Å; L470-H515 HydrophobicContact CB-CB 4.38Å; L470-H515 PolarHBondContact N-O 3.27Å; L470-H515 PolarHBondContact O-N 2.88Å; L470-H515 PolarHBondContact O-ND1 3.3Å; L470-V517 HydrophobicContact CD1-CB 4.45Å; L470-V517 HydrophobicContact CD1-CG1 3.91Å; L470-V517 HydrophobicContact CD1-CG2 3.72Å; L470-V517 HydrophobicContact CD2-CG2 4.5Å; L470-V517 HydrophobicContact CG-CG1 4.26Å; L470-V517 HydrophobicContact CG-CG2 3.84Å; L470-L523 HydrophobicContact CD1-CD1 3.88Å; L470-L523 HydrophobicContact CD2-CD1 4.38Å
471I97Very high95.4Very high0 Ų043.5 Ų43.50%023%0.231CC..EExtended strand (participates in β ladder)trans-125.5127.6169.6-62169.1000108.9I432 V434 L451 V452 Q512 L514I432-I471 HydrophobicContact CD1-CD1 4.24Å; I432-I471 HydrophobicContact CG2-CD1 3.72Å; V434-I471 HydrophobicContact CG2-CG2 3.9Å; L451-I471 PolarHBondContact N-O 2.88Å; V452-I471 HydrophobicContact CB-CB 4.17Å; V452-I471 HydrophobicContact CB-CD1 4.35Å; V452-I471 PolarHBondContact N-O 3.16Å; V452-I471 PolarHBondContact O-N 2.9Å; I471-Q512 HydrophobicContact CD1-CB 4.41Å; I471-Q512 HydrophobicContact CG2-CB 3.98Å; I471-Q512 HydrophobicContact CG2-CG 4.39Å; I471-L514 HydrophobicContact CD1-CD1 4.13Å; I471-L514 HydrophobicContact CG1-CD1 3.9Å
472F98.3Very high94.9Very high0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-107.2154.8178-70.9-89.5000111.1S436 E449 L450 L470 E474 I491 Y529 L531S436-F472 VanDerWaalsContact CB-O 3.3Å; S436-F472 WeakPolarHBondContact CB-O 3.4Å; S436-F472 PolarHBondContact OG-O 3.42Å; E449-F472 WeakPolarHBondContact O-CA 3.41Å; L450-F472 HydrophobicContact CB-CD1 4.14Å; L450-F472 HydrophobicContact CB-CE1 3.74Å; L450-F472 HydrophobicContact CB-CZ 4.34Å; L450-F472 HydrophobicContact CD1-CD1 4.39Å; L450-F472 HydrophobicContact CD1-CE1 4.01Å; L450-F472 HydrophobicContact CD1-CE2 4.13Å; L450-F472 HydrophobicContact CD1-CZ 3.85Å; L450-F472 HydrophobicContact CG-CE1 4.39Å; L470-F472 HydrophobicContact CB-CD2 4.42Å; L470-F472 HydrophobicContact CB-CE2 3.82Å; L470-F472 HydrophobicContact CD1-CE2 3.87Å; L470-F472 HydrophobicContact CD1-CZ 4.02Å; F472-E474 VanDerWaalsContact C-N 3.28Å; F472-E474 WeakPolarHBondContact CB-O 3.4Å; F472-E474 PolarHBondContact O-N 3.09Å; F472-I491 HydrophobicContact CE2-CD1 3.84Å; F472-I491 HydrophobicContact CZ-CD1 3.85Å; F472-I491 HydrophobicContact CZ-CG2 4.35Å; F472-Y529 AromaticContact CE1-CD2 3.94Å; F472-Y529 HydrophobicContact CE1-CD2 3.94Å; F472-Y529 HydrophobicContact CE1-CG 4.45Å; F472-L531 HydrophobicContact CB-CD1 4Å; F472-L531 HydrophobicContact CD1-CD1 4Å; F472-L531 HydrophobicContact CD1-CD2 4.1Å; F472-L531 HydrophobicContact CD1-CG 4.42Å; F472-L531 HydrophobicContact CD2-CD1 4.04Å; F472-L531 HydrophobicContact CD2-CD2 4.12Å; F472-L531 HydrophobicContact CE1-CD2 3.78Å; F472-L531 HydrophobicContact CE2-CD2 3.82Å; F472-L531 HydrophobicContact CG-CD1 3.74Å; F472-L531 HydrophobicContact CG-CD2 4.27Å; F472-L531 HydrophobicContact CZ-CD2 3.65Å
473A97.7Very high94.5Very high28 Ų2836.3 Ų36.323%0.23121%0.212CC..SBendtrans-62.5-37.5176.100000112.6S436 T437 E449 L451S436-A473 CarbonylContact C-O 3.59Å; S436-A473 WeakPolarHBondContact CA-O 3.27Å; T437-A473 PolarHBondContact N-O 2.88Å; E449-A473 HydrophobicContact CB-CB 4.43Å; E449-A473 PolarHBondContact O-N 3.5Å; L451-A473 VanDerWaalsContact CD1-CA 3.48Å; L451-A473 HydrophobicContact CD1-CB 3.8Å; L451-A473 HydrophobicContact CD2-CB 4.23Å; L451-A473 HydrophobicContact CG-CB 4.05Å
474E97.9Very high94.5Very high91 Ų9136.2 Ų36.243%0.42521%0.212SC..EExtended strand (participates in β ladder)trans-135.2141.7173.9-66.3-178.4-171.900108.6T437 V439 S448 F472 L531T437-E474 CarbonylContact O-C 3.53Å; T437-E474 VanDerWaalsContact O-CA 3.23Å; T437-E474 WeakPolarHBondContact O-CA 3.42Å; V439-E474 HydrophobicContact CG1-CB 4.31Å; V439-E474 HydrophobicContact CG1-CG 4.41Å; S448-E474 WeakPolarHBondContact CB-O 3.49Å; S448-E474 WeakPolarHBondContact OG-CA 3.32Å; S448-E474 PolarHBondContact OG-N 2.91Å; S448-E474 PolarHBondContact OG-O 2.87Å; F472-E474 VanDerWaalsContact C-N 3.28Å; F472-E474 WeakPolarHBondContact CB-O 3.4Å; F472-E474 PolarHBondContact O-N 3.09Å; E474-L531 WeakPolarHBondContact O-CD1 3.48Å
475T98.3Very high94.7Very high1 Ų136 Ų361%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-140136.3176-179.60000112.9T437 F438 V439 F477 A513 H515T437-T475 PolarHBondContact O-N 3.33Å; F438-T475 WeakPolarHBondContact CA-O 3.07Å; F438-T475 WeakPolarHBondContact CD2-O 3.34Å; V439-T475 WeakPolarHBondContact CG2-O 3.4Å; V439-T475 PolarHBondContact N-O 3.32Å; T475-F477 VanDerWaalsContact C-N 3.29Å; T475-F477 WeakPolarHBondContact OG1-CB 3.44Å; T475-F477 WeakPolarHBondContact OG1-CD2 3.15Å; T475-F477 PolarHBondContact OG1-N 2.79Å; T475-A513 HydrophobicContact CG2-CB 3.56Å; T475-H515 WeakPolarHBondContact CB-NE2 3.4Å; T475-H515 PolarHBondContact OG1-NE2 3.46Å
476P98.2Very high94.8Very high0 Ų029 Ų290%017%0.172CC..  trans-81.5-10.1169.633.7-32.5000112.3F438 G440 H443 L531 V533 R538F438-P476 WeakPolarHBondContact CE2-O 3.41Å; G440-P476 VanDerWaalsContact CA-O 3.3Å; G440-P476 WeakPolarHBondContact CA-O 3.46Å; H443-P476 WeakPolarHBondContact O-CB 3.4Å; P476-L531 HydrophobicContact CG-CB 3.82Å; P476-V533 HydrophobicContact CB-CG2 4Å; P476-V533 HydrophobicContact CG-CG2 4.07Å; P476-V533 WeakPolarHBondContact O-CG2 3.44Å; P476-R538 PolarHBondContact O-NH2 3.49Å
477F98.5Very high95.1Very high0 Ų027.5 Ų27.50%016%0.155CC..SBendtrans-81.6125.7-176.9-65.4-95000111.7F438 T475 D487 V502 V505 L531 Q532 V533F438-F477 WeakPolarHBondContact CD2-O 3.31Å; F438-F477 VanDerWaalsContact CE2-C 3.44Å; F438-F477 WeakPolarHBondContact CE2-O 3.5Å; T475-F477 VanDerWaalsContact C-N 3.29Å; T475-F477 WeakPolarHBondContact OG1-CB 3.44Å; T475-F477 WeakPolarHBondContact OG1-CD2 3.15Å; T475-F477 PolarHBondContact OG1-N 2.79Å; F477-D487 HydrophobicContact CB-CB 4.18Å; F477-D487 HydrophobicContact CD1-CB 3.78Å; F477-D487 HydrophobicContact CG-CB 4.46Å; F477-V502 HydrophobicContact CD1-CB 4.16Å; F477-V502 HydrophobicContact CD1-CG1 3.86Å; F477-V502 HydrophobicContact CD1-CG2 4.4Å; F477-V502 HydrophobicContact CE1-CB 3.67Å; F477-V502 HydrophobicContact CE1-CG1 3.91Å; F477-V502 HydrophobicContact CE1-CG2 3.78Å; F477-V502 HydrophobicContact CE2-CG2 4.01Å; F477-V502 HydrophobicContact CG-CG1 4.44Å; F477-V502 HydrophobicContact CZ-CB 4Å; F477-V502 HydrophobicContact CZ-CG1 4.49Å; F477-V502 HydrophobicContact CZ-CG2 3.56Å; F477-V505 HydrophobicContact CB-CG2 3.88Å; F477-V505 HydrophobicContact CD1-CG2 4.48Å; F477-V505 HydrophobicContact CG-CG2 4.43Å; F477-L531 HydrophobicContact CD2-CB 4.43Å; F477-L531 HydrophobicContact CE2-CB 3.87Å; F477-L531 HydrophobicContact CE2-CD2 4.45Å; F477-Q532 VanDerWaalsContact CZ-O 3.31Å; F477-Q532 WeakPolarHBondContact CZ-O 3.49Å; F477-V533 HydrophobicContact CB-CG2 4.44Å; F477-V533 HydrophobicContact CD1-CG2 3.76Å; F477-V533 HydrophobicContact CD2-CG2 4.26Å; F477-V533 HydrophobicContact CE1-CG2 3.97Å; F477-V533 HydrophobicContact CE2-CG2 4.48Å; F477-V533 HydrophobicContact CG-CG2 3.88Å; F477-V533 HydrophobicContact CZ-CG2 4.33Å
478Y98.1Very high95.2Very high3 Ų324.9 Ų24.91%0.01214%0.142CC..PPolyproline II helixtrans-74.2125.4176.4-170.5-96.1000110.1F438 M481 Q484 A486 D487 G648 G649 T650F438-Y478 HydrophobicContact CE1-CD2 4.1Å; F438-Y478 HydrophobicContact CE2-CD2 4.3Å; F438-Y478 AromaticContact CZ-CD2 3.72Å; F438-Y478 HydrophobicContact CZ-CD2 3.72Å; F438-Y478 HydrophobicContact CZ-CG 4.46Å; Y478-M481 HydrophobicContact CE1-CG 3.98Å; Y478-M481 HydrophobicContact CE2-CE 3.62Å; Y478-M481 WeakPolarHBondContact OH-CE 3.47Å; Y478-M481 WeakPolarHBondContact OH-CG 3.41Å; Y478-Q484 HydrophobicContact CD1-CG 4.29Å; Y478-Q484 HydrophobicContact CE1-CB 3.79Å; Y478-Q484 HydrophobicContact CE1-CG 3.98Å; Y478-A486 WeakPolarHBondContact O-CA 3.42Å; Y478-D487 WeakPolarHBondContact CA-OD2 3.49Å; Y478-D487 WeakPolarHBondContact CB-OD2 3.36Å; Y478-D487 PolarHBondContact N-OD2 2.99Å; Y478-D487 PolarHBondContact O-N 2.88Å; Y478-D487 VanDerWaalsContact O-N 3.08Å; Y478-G648 WeakPolarHBondContact CE2-O 3.43Å; Y478-G648 PolarHBondContact OH-O 3.21Å; Y478-G649 WeakPolarHBondContact OH-CA 3.29Å; Y478-T650 HydrophobicContact CD2-CG2 3.85Å; Y478-T650 HydrophobicContact CE2-CG2 4.32Å; Y478-T650 HydrophobicContact CG-CG2 4.48Å
479A96Very high95.4Very high11 Ų1125.4 Ų25.49%0.09115%0.147CC..PPolyproline II helixtrans-79.1135.417000000110M481 V505 K507A479-M481 PolarHBondContact O-N 2.97Å; A479-V505 CarbonylContact C-O 3.55Å; A479-V505 VanDerWaalsContact CA-O 3.28Å; A479-V505 WeakPolarHBondContact CA-O 3.46Å; A479-V505 HydrophobicContact CB-CG1 3.87Å; A479-K507 HydrophobicContact CB-CG 3.96Å
480E92.9Very high95.5Very high80 Ų8024.6 Ų24.637%0.37415%0.147SC..SBendtrans-53.4122179.2179.3172.1162.800111.6Q484 A486 V505 Q506E480-Q484 WeakPolarHBondContact CA-O 3.4Å; E480-Q484 WeakPolarHBondContact CG-O 3.09Å; E480-A486 HydrophobicContact CB-CB 4.16Å; E480-V505 PolarHBondContact N-O 3.2Å; E480-Q506 PolarHBondContact OE2-NE2 3.37Å; E480-Q506 VanDerWaalsContact OE2-NE2 3.08Å
481M87.3Confident95.6Very high52 Ų5224.6 Ų24.626%0.25615%0.147SC..BIsolated β-bridgetrans-164.7159.5174.865.4177.2-179.500110.9Y478 A479 G483 Q484 K507 G648Y478-M481 HydrophobicContact CE1-CG 3.98Å; Y478-M481 HydrophobicContact CE2-CE 3.62Å; Y478-M481 WeakPolarHBondContact OH-CE 3.47Å; Y478-M481 WeakPolarHBondContact OH-CG 3.41Å; A479-M481 PolarHBondContact O-N 2.97Å; M481-G483 PolarHBondContact O-N 3.44Å; M481-Q484 PolarHBondContact N-O 3.49Å; M481-Q484 PolarHBondContact O-N 2.81Å; M481-K507 HydrophobicContact SD-CD 4.5Å; M481-K507 WeakPolarHBondContact SD-CE 3.49Å; M481-K507 PolarHBondContact SD-NZ 2.67Å; M481-G648 WeakPolarHBondContact CE-O 3.5Å
482G82.8Confident95.6Very high56 Ų5625.2 Ų25.258%0.57715%0.151SC*.THydrogen-bonded Turntrans60.620.3175.800000114.6Q484G482-Q484 VanDerWaalsContact C-N 3.34Å
483G86.6Confident95.5Very high20 Ų2026.8 Ų26.821%0.20616%0.159CC..THydrogen-bonded Turntrans88.1-13.5-174.400000114.7M481 S568 L569 V570M481-G483 PolarHBondContact O-N 3.44Å; G483-S568 WeakPolarHBondContact CA-O 3.39Å; G483-L569 CarbonylContact O-C 3.56Å; G483-L569 WeakPolarHBondContact O-CA 3.45Å; G483-V570 PolarHBondContact O-N 2.99Å
484Q93.8Very high95.2Very high0 Ų031 Ų310%019%0.187CC..BIsolated β-bridgetrans-78.8123.2174.7-170.3-166.7-5900110.7Y478 E480 M481 G482 I541 H545 T650Y478-Q484 HydrophobicContact CD1-CG 4.29Å; Y478-Q484 HydrophobicContact CE1-CB 3.79Å; Y478-Q484 HydrophobicContact CE1-CG 3.98Å; E480-Q484 WeakPolarHBondContact CA-O 3.4Å; E480-Q484 WeakPolarHBondContact CG-O 3.09Å; M481-Q484 PolarHBondContact N-O 3.49Å; M481-Q484 PolarHBondContact O-N 2.81Å; G482-Q484 VanDerWaalsContact C-N 3.34Å; Q484-I541 HydrophobicContact CG-CG2 3.37Å; Q484-H545 PolarHBondContact OE1-CE1 3.05Å; Q484-H545 PolarHBondContact OE1-ND1 3.02Å; Q484-T650 PolarHBondContact NE2-OG1 2.8Å; Q484-T650 PolarHBondContact OE1-O 3.4Å; Q484-T650 PolarHBondContact OE1-OG1 2.99Å
485I95.4Very high94.9Very high26 Ų2635 Ų3513%0.13321%0.206CC..PPolyproline II helixtrans-65.3157.9175.867.8175.3000112.4Y537 I541 L569 V570 T571I485-Y537 WeakPolarHBondContact CD1-OH 3.2Å; I485-I541 HydrophobicContact CD1-CD1 4.03Å; I485-I541 HydrophobicContact CD1-CG1 4.37Å; I485-I541 HydrophobicContact CG1-CD1 3.72Å; I485-I541 HydrophobicContact CG1-CG1 4.19Å; I485-L569 HydrophobicContact CG2-CD1 3.87Å; I485-V570 WeakPolarHBondContact CG1-O 3.48Å; I485-V570 PolarHBondContact N-O 3.44Å; I485-V570 VanDerWaalsContact N-O 3.13Å; I485-T571 HydrophobicContact CD1-CG2 4.38Å; I485-T571 HydrophobicContact CG2-CG2 4.09Å
486A97Very high94.6Very high4 Ų437.6 Ų37.63%0.03323%0.233CC..PPolyproline II helixtrans-63.6153.6179.200000113.9Y478 E480 D504 V505 Y537Y478-A486 WeakPolarHBondContact O-CA 3.42Å; E480-A486 HydrophobicContact CB-CB 4.16Å; A486-D504 VanDerWaalsContact CB-OD1 3.26Å; A486-D504 WeakPolarHBondContact CB-OD1 3.48Å; A486-V505 HydrophobicContact CB-CB 4.12Å; A486-V505 VanDerWaalsContact CB-N 3.32Å; A486-V505 VanDerWaalsContact CB-O 3.24Å; A486-V505 WeakPolarHBondContact CB-O 3.36Å; A486-Y537 WeakPolarHBondContact O-CE1 3.49Å; A486-Y537 PolarHBondContact O-OH 3.09Å
487D98.4Very high94.5Very high0 Ų043.2 Ų43.20%026%0.258CS..PPolyproline II helixtrans-71.5159.6168.7-81.6-54.8000114.1F477 Y478 V533 R538F477-D487 HydrophobicContact CB-CB 4.18Å; F477-D487 HydrophobicContact CD1-CB 3.78Å; F477-D487 HydrophobicContact CG-CB 4.46Å; Y478-D487 WeakPolarHBondContact CA-OD2 3.49Å; Y478-D487 WeakPolarHBondContact CB-OD2 3.36Å; Y478-D487 PolarHBondContact N-OD2 2.99Å; Y478-D487 PolarHBondContact O-N 2.88Å; Y478-D487 VanDerWaalsContact O-N 3.08Å; D487-V533 HydrophobicContact CB-CG1 4.13Å; D487-R538 IonicContact OD1-CZ 2.83Å; D487-R538 IonicContact OD1-NE 3.08Å; D487-R538 PolarHBondContact OD1-NE 2.96Å; D487-R538 IonicContact OD1-NH2 3.92Å; D487-R538 IonicContact OD2-CZ 2.8Å; D487-R538 IonicContact OD2-NE 3.44Å; D487-R538 PolarHBondContact OD2-NE 2.82Å; D487-R538 IonicContact OD2-NH2 2.76Å; D487-R538 PolarHBondContact OD2-NH2 3.02Å
488K98.3Very high94.4Very high92 Ų9246.9 Ų46.940%0.428%0.276SS..  trans-130.7157.6173.3-63.5178-177.7171.60109.5V502 T503 N534 Y537K488-V502 WeakPolarHBondContact CA-O 3.24Å; K488-T503 VanDerWaalsContact CE-O 3.27Å; K488-T503 WeakPolarHBondContact CE-O 3.45Å; K488-N534 VanDerWaalsContact O-CB 3.27Å; K488-N534 WeakPolarHBondContact O-CB 3.44Å; K488-N534 PolarHBondContact O-N 2.71Å; K488-Y537 HydrophobicContact CB-CD1 4.18Å; K488-Y537 HydrophobicContact CB-CE1 4.04Å; K488-Y537 HydrophobicContact CD-CE1 4.14Å; K488-Y537 HydrophobicContact CD-CE2 4.18Å; K488-Y537 WeakPolarHBondContact CE-OH 3.31Å; K488-Y537 HydrophobicContact CG-CE1 3.89Å
489G98.3Very high94.4Very high14 Ų1447 Ų4714%0.14428%0.277CS..EExtended strand (participates in β ladder)trans165-150-177.700000112V502 Q532G489-V502 PolarHBondContact N-O 2.89Å; G489-V502 PolarHBondContact O-N 3.15Å; G489-Q532 CarbonylContact C-O 3.5Å; G489-Q532 VanDerWaalsContact CA-O 3.32Å; G489-Q532 WeakPolarHBondContact CA-O 3.46Å
490I98.5Very high94.5Very high38 Ų3846.4 Ų46.420%0.19527%0.273CS..EExtended strand (participates in β ladder)trans-136.3155-170.956.6172.3000112.1V492 I498 A500 Q532I490-V492 HydrophobicContact CD1-CG2 3.98Å; I490-V492 HydrophobicContact CG1-CG2 4.25Å; I490-I498 HydrophobicContact CB-CG2 4.08Å; I490-I498 HydrophobicContact CD1-CD1 3.85Å; I490-I498 HydrophobicContact CD1-CG1 3.97Å; I490-I498 HydrophobicContact CG2-CG2 4.04Å; I490-A500 WeakPolarHBondContact CA-O 3.28Å; I490-Q532 HydrophobicContact CG1-CB 3.99Å; I490-Q532 HydrophobicContact CG1-CG 4.45Å; I490-Q532 PolarHBondContact N-O 3.24Å; I490-Q532 PolarHBondContact O-N 3.4Å
491I98.4Very high94.7Very high0 Ų045 Ų450%027%0.267CS..EExtended strand (participates in β ladder)trans-114.8131.1171-55.7176.2000107.1L470 F472 I499 A500 V502 V517 L523 Y529 F530 L531L470-I491 HydrophobicContact CD1-CD1 3.56Å; F472-I491 HydrophobicContact CE2-CD1 3.84Å; F472-I491 HydrophobicContact CZ-CD1 3.85Å; F472-I491 HydrophobicContact CZ-CG2 4.35Å; I491-I499 HydrophobicContact CB-CG1 4.28Å; I491-I499 HydrophobicContact CG2-CD1 4.01Å; I491-I499 HydrophobicContact CG2-CG1 3.94Å; I491-I499 WeakPolarHBondContact O-CG1 3.39Å; I491-I499 PolarHBondContact O-N 3.02Å; I491-A500 HydrophobicContact CB-CB 4.2Å; I491-A500 HydrophobicContact CD1-CB 4.2Å; I491-A500 HydrophobicContact CG1-CB 4.47Å; I491-A500 PolarHBondContact N-O 2.6Å; I491-A500 PolarHBondContact O-N 3.18Å; I491-V502 HydrophobicContact CD1-CG2 3.94Å; I491-V502 HydrophobicContact CG1-CG2 3.77Å; I491-V517 HydrophobicContact CD1-CG1 4.01Å; I491-L523 HydrophobicContact CG2-CD2 4.33Å; I491-Y529 HydrophobicContact CG2-CD1 4.44Å; I491-Y529 HydrophobicContact CG2-CG 4.12Å; I491-F530 WeakPolarHBondContact CA-O 3.4Å; I491-L531 HydrophobicContact CB-CD2 4.42Å; I491-L531 HydrophobicContact CD1-CD2 4.28Å; I491-L531 HydrophobicContact CG1-CD2 3.83Å; I491-L531 HydrophobicContact CG2-CD2 4.08Å
492V97.9Very high95.2Very high14 Ų1442.7 Ų42.79%0.08526%0.256CS..EExtended strand (participates in β ladder)trans-123.8138.7-173.9-173.40000109.1I490 G496 K497 I498 F530I490-V492 HydrophobicContact CD1-CG2 3.98Å; I490-V492 HydrophobicContact CG1-CG2 4.25Å; V492-G496 VanDerWaalsContact CG1-CA 3.49Å; V492-K497 VanDerWaalsContact CA-O 3.3Å; V492-K497 WeakPolarHBondContact CA-O 3.27Å; V492-K497 WeakPolarHBondContact CG1-O 3.34Å; V492-I498 HydrophobicContact CG2-CG1 4.3Å; V492-F530 HydrophobicContact CB-CB 4.19Å; V492-F530 HydrophobicContact CB-CD1 4.42Å; V492-F530 PolarHBondContact N-O 2.93Å; V492-F530 PolarHBondContact O-N 3.11Å
493D95.6Very high95.9Very high33 Ų3343 Ų4318%0.17625%0.247CC..  trans-78.8176.5174.666.818.9000112.8E495 G496 K497 I499 Y529D493-E495 PolarHBondContact O-N 2.9Å; D493-E495 VanDerWaalsContact O-N 3.17Å; D493-E495 WeakPolarHBondContact OD1-CA 3.16Å; D493-E495 WeakPolarHBondContact OD1-CB 3.49Å; D493-E495 PolarHBondContact OD1-N 2.93Å; D493-G496 PolarHBondContact O-N 3.46Å; D493-G496 PolarHBondContact OD1-N 3.15Å; D493-K497 PolarHBondContact N-O 3.28Å; D493-K497 WeakPolarHBondContact OD1-CB 3.24Å; D493-K497 PolarHBondContact OD1-N 3.16Å; D493-K497 WeakPolarHBondContact OD2-CB 3.25Å; D493-I499 HydrophobicContact CB-CD1 4.27Å; D493-I499 HydrophobicContact CB-CG2 3.88Å; D493-Y529 HydrophobicContact CB-CD1 4.49Å
494S91.4Very high96.4Very high117 Ų11744.4 Ų44.482%0.81825%0.25SC*.THydrogen-bonded Turntrans-63.9-15.9177.357.30000114.4
495E90.8Very high96.6Very high173 Ų17344.4 Ų44.481%0.80825%0.25SC*.THydrogen-bonded Turntrans-90.2-2.2176.5-60.8-172.4177.200112.3D493D493-E495 PolarHBondContact O-N 2.9Å; D493-E495 VanDerWaalsContact O-N 3.17Å; D493-E495 WeakPolarHBondContact OD1-CA 3.16Å; D493-E495 WeakPolarHBondContact OD1-CB 3.49Å; D493-E495 PolarHBondContact OD1-N 2.93Å
496G92.2Very high96.4Very high57 Ų5746 Ų4659%0.58826%0.257SS*.SBendtrans82.414.1-178.800000113.8V492 D493V492-G496 VanDerWaalsContact CG1-CA 3.49Å; D493-G496 PolarHBondContact O-N 3.46Å; D493-G496 PolarHBondContact OD1-N 3.15Å
497K95.7Very high95.8Very high118 Ų11851.4 Ų51.451%0.51328%0.28SS..  trans-89.6134.7177.2-176-171.2173.5-1670110.1V492 D493 I499V492-K497 VanDerWaalsContact CA-O 3.3Å; V492-K497 WeakPolarHBondContact CA-O 3.27Å; V492-K497 WeakPolarHBondContact CG1-O 3.34Å; D493-K497 PolarHBondContact N-O 3.28Å; D493-K497 WeakPolarHBondContact OD1-CB 3.24Å; D493-K497 PolarHBondContact OD1-N 3.16Å; D493-K497 WeakPolarHBondContact OD2-CB 3.25Å; K497-I499 PolarHBondContact O-N 3.14Å
498I97.1Very high95.1Very high77 Ų7751.6 Ų51.640%0.39528%0.281SS..EExtended strand (participates in β ladder)trans-69.3119.9171.9-56.4173.5000108.6I490 V492 L520I490-I498 HydrophobicContact CB-CG2 4.08Å; I490-I498 HydrophobicContact CD1-CD1 3.85Å; I490-I498 HydrophobicContact CD1-CG1 3.97Å; I490-I498 HydrophobicContact CG2-CG2 4.04Å; V492-I498 HydrophobicContact CG2-CG1 4.3Å; I498-L520 HydrophobicContact CG2-CD1 4.11Å
499I97.2Very high93.8Very high4 Ų450.8 Ų50.82%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-111.3-18.1-176.760.9171.9000113.2I491 D493 K497 L520 A521 L523 Y529I491-I499 HydrophobicContact CB-CG1 4.28Å; I491-I499 HydrophobicContact CG2-CD1 4.01Å; I491-I499 HydrophobicContact CG2-CG1 3.94Å; I491-I499 WeakPolarHBondContact O-CG1 3.39Å; I491-I499 PolarHBondContact O-N 3.02Å; D493-I499 HydrophobicContact CB-CD1 4.27Å; D493-I499 HydrophobicContact CB-CG2 3.88Å; K497-I499 PolarHBondContact O-N 3.14Å; I499-L520 WeakPolarHBondContact O-CA 3.33Å; I499-L520 WeakPolarHBondContact O-CB 3.49Å; I499-L520 PolarHBondContact O-N 3.32Å; I499-A521 HydrophobicContact CB-CB 4.15Å; I499-A521 HydrophobicContact CG2-CB 3.99Å; I499-A521 PolarHBondContact O-N 3.44Å; I499-A521 VanDerWaalsContact O-N 3.11Å; I499-L523 HydrophobicContact CD1-CD2 3.31Å; I499-L523 HydrophobicContact CD1-CG 4Å; I499-L523 HydrophobicContact CG1-CD2 4.12Å; I499-Y529 HydrophobicContact CD1-CD1 3.19Å; I499-Y529 HydrophobicContact CD1-CE1 3.23Å; I499-Y529 HydrophobicContact CD1-CG 4.14Å; I499-Y529 HydrophobicContact CG1-CD1 4.5Å
500A98.1Very high92.9Very high0 Ų054.1 Ų54.10%030%0.3CS..EExtended strand (participates in β ladder)trans-156.5152.9172.300000112.6I490 I491 V517 E518 L523I490-A500 WeakPolarHBondContact CA-O 3.28Å; I491-A500 HydrophobicContact CB-CB 4.2Å; I491-A500 HydrophobicContact CD1-CB 4.2Å; I491-A500 HydrophobicContact CG1-CB 4.47Å; I491-A500 PolarHBondContact N-O 2.6Å; I491-A500 PolarHBondContact O-N 3.18Å; A500-V517 HydrophobicContact CB-CB 4.22Å; A500-V517 HydrophobicContact CB-CG2 4.32Å; A500-E518 CarbonylContact C-O 3.5Å; A500-E518 WeakPolarHBondContact CA-O 3.18Å; A500-E518 WeakPolarHBondContact CB-O 3.39Å; A500-L523 HydrophobicContact CB-CD1 4.15Å
501N98.4Very high92.1Very high50 Ų5054.4 Ų54.427%0.26731%0.312SS..EExtended strand (participates in β ladder)trans-101.1125.4169.7-60.4-47.2000109.4V517 E518N501-V517 CarbonylContact O-C 3.54Å; N501-V517 WeakPolarHBondContact O-CA 3.11Å; N501-V517 WeakPolarHBondContact O-CB 3.5Å; N501-E518 HydrophobicContact CB-CB 4.34Å; N501-E518 PolarHBondContact N-O 3.47Å; N501-E518 PolarHBondContact ND2-OE2 2.97Å; N501-E518 PolarHBondContact O-N 3.33Å
502V98.5Very high91.8Very high4 Ų454.7 Ų54.72%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-81.6118.9171.3-175.20000108.7F477 K488 G489 I491 V505 H515 V517F477-V502 HydrophobicContact CD1-CB 4.16Å; F477-V502 HydrophobicContact CD1-CG1 3.86Å; F477-V502 HydrophobicContact CD1-CG2 4.4Å; F477-V502 HydrophobicContact CE1-CB 3.67Å; F477-V502 HydrophobicContact CE1-CG1 3.91Å; F477-V502 HydrophobicContact CE1-CG2 3.78Å; F477-V502 HydrophobicContact CE2-CG2 4.01Å; F477-V502 HydrophobicContact CG-CG1 4.44Å; F477-V502 HydrophobicContact CZ-CB 4Å; F477-V502 HydrophobicContact CZ-CG1 4.49Å; F477-V502 HydrophobicContact CZ-CG2 3.56Å; K488-V502 WeakPolarHBondContact CA-O 3.24Å; G489-V502 PolarHBondContact N-O 2.89Å; G489-V502 PolarHBondContact O-N 3.15Å; I491-V502 HydrophobicContact CD1-CG2 3.94Å; I491-V502 HydrophobicContact CG1-CG2 3.77Å; V502-V505 HydrophobicContact CG1-CG2 3.59Å; V502-H515 HydrophobicContact CG1-CB 4.36Å; V502-V517 HydrophobicContact CB-CG1 4.46Å; V502-V517 HydrophobicContact CG2-CG1 4.01Å
503T97.3Very high91.6Very high62 Ų6254.6 Ų54.638%0.3831%0.314SS..EExtended strand (participates in β ladder)trans-106.5-27.8-17459.70000113.2K488 T516K488-T503 VanDerWaalsContact CE-O 3.27Å; K488-T503 WeakPolarHBondContact CE-O 3.45Å; T503-T516 PolarHBondContact N-O 3.01Å; T503-T516 PolarHBondContact OG1-O 3.34Å
504D96.6Very high91.6Very high50 Ų5053.6 Ų53.627%0.26731%0.309SS..EExtended strand (participates in β ladder)trans-157.6155.1178.7-176.533.1000109.9A486 Q506 H515 T516A486-D504 VanDerWaalsContact CB-OD1 3.26Å; A486-D504 WeakPolarHBondContact CB-OD1 3.48Å; D504-Q506 PolarHBondContact OD1-NE2 3.14Å; D504-Q506 WeakPolarHBondContact OD2-CG 3.42Å; D504-Q506 PolarHBondContact OD2-NE2 3.21Å; D504-Q506 VanDerWaalsContact OD2-NE2 3.15Å; D504-H515 CarbonylContact O-C 3.49Å; D504-T516 PolarHBondContact N-O 2.92Å; D504-T516 PolarHBondContact O-N 3.2Å
505V97.5Very high91.9Very high0 Ų048 Ų480%027%0.27CS..EExtended strand (participates in β ladder)trans-143.1121.6177.2-172.20000109.1F477 A479 E480 A486 V502 A513 L514 H515F477-V505 HydrophobicContact CB-CG2 3.88Å; F477-V505 HydrophobicContact CD1-CG2 4.48Å; F477-V505 HydrophobicContact CG-CG2 4.43Å; A479-V505 CarbonylContact C-O 3.55Å; A479-V505 VanDerWaalsContact CA-O 3.28Å; A479-V505 WeakPolarHBondContact CA-O 3.46Å; A479-V505 HydrophobicContact CB-CG1 3.87Å; E480-V505 PolarHBondContact N-O 3.2Å; A486-V505 HydrophobicContact CB-CB 4.12Å; A486-V505 VanDerWaalsContact CB-N 3.32Å; A486-V505 VanDerWaalsContact CB-O 3.24Å; A486-V505 WeakPolarHBondContact CB-O 3.36Å; V502-V505 HydrophobicContact CG1-CG2 3.59Å; V505-A513 HydrophobicContact CG1-CB 3.9Å; V505-L514 WeakPolarHBondContact CA-O 3.27Å; V505-H515 HydrophobicContact CG2-CB 4.38Å
506Q91Very high92.2Very high60 Ų6041 Ų4128%0.2824%0.238SC..EExtended strand (participates in β ladder)trans-123.8160.3-176.9-61.1-64.3-33.500110E480 D504 L514E480-Q506 PolarHBondContact OE2-NE2 3.37Å; E480-Q506 VanDerWaalsContact OE2-NE2 3.08Å; D504-Q506 PolarHBondContact OD1-NE2 3.14Å; D504-Q506 WeakPolarHBondContact OD2-CG 3.42Å; D504-Q506 PolarHBondContact OD2-NE2 3.21Å; D504-Q506 VanDerWaalsContact OD2-NE2 3.15Å; Q506-L514 PolarHBondContact N-O 3.35Å; Q506-L514 WeakPolarHBondContact O-CB 3.26Å; Q506-L514 PolarHBondContact O-N 2.95Å
507K85.3Confident92.4Very high117 Ų11738.2 Ų38.251%0.50921%0.21SC..EExtended strand (participates in β ladder)trans-79.9127.8171.1-74.8-169.5176.7-179.20110.7A479 M481 Q512A479-K507 HydrophobicContact CB-CG 3.96Å; M481-K507 HydrophobicContact SD-CD 4.5Å; M481-K507 WeakPolarHBondContact SD-CE 3.49Å; M481-K507 PolarHBondContact SD-NZ 2.67Å; K507-Q512 CarbonylContact C-O 3.58Å; K507-Q512 WeakPolarHBondContact CA-O 3.38Å
508A82.4Confident92.5Very high4 Ų437.5 Ų37.53%0.03321%0.209CC..  trans-69.7161.9163.600000110.4N510 G511 Q512 L514A508-N510 PolarHBondContact O-N 2.96Å; A508-N510 VanDerWaalsContact O-N 3.09Å; A508-G511 PolarHBondContact O-N 3.02Å; A508-Q512 HydrophobicContact CB-CB 4.34Å; A508-Q512 PolarHBondContact N-O 2.77Å; A508-L514 HydrophobicContact CB-CB 4.48Å
509P72.8Confident92.5Very high74 Ų7434 Ų3448%0.48119%0.191SC..THydrogen-bonded Turntrans-54.4-31.2-177.7-2936.6000115.1L429 G511L429-P509 HydrophobicContact CB-CG 3.97Å; P509-G511 VanDerWaalsContact C-N 3.34Å
510N78.3Confident92.5Very high84 Ų8437 Ų3745%0.44921%0.207SC..THydrogen-bonded Turntrans-94.617.1178.1-63-47.3000113.1G430 I432 A508 Q512G430-N510 PolarHBondContact O-ND2 2.82Å; I432-N510 PolarHBondContact O-ND2 3.39Å; A508-N510 PolarHBondContact O-N 2.96Å; A508-N510 VanDerWaalsContact O-N 3.09Å; N510-Q512 VanDerWaalsContact C-OE1 3.22Å; N510-Q512 VanDerWaalsContact CB-OE1 3.29Å; N510-Q512 PolarHBondContact O-OE1 3.22Å
511G82.8Confident92.3Very high45 Ų4537.8 Ų37.846%0.46421%0.213SC..SBendtrans89-4.4171.500000116.2A508 P509A508-G511 PolarHBondContact O-N 3.02Å; P509-G511 VanDerWaalsContact C-N 3.34Å
512Q91.1Very high92Very high6 Ų639.2 Ų39.23%0.02823%0.227CC..  trans-70.4150.7179.8-52.591.7-1900112.1I432 V434 I471 K507 A508 N510 L514I432-Q512 PolarHBondContact O-NE2 3.26Å; V434-Q512 VanDerWaalsContact O-CG 3.25Å; V434-Q512 WeakPolarHBondContact O-CG 3.45Å; V434-Q512 PolarHBondContact O-NE2 2.99Å; I471-Q512 HydrophobicContact CD1-CB 4.41Å; I471-Q512 HydrophobicContact CG2-CB 3.98Å; I471-Q512 HydrophobicContact CG2-CG 4.39Å; K507-Q512 CarbonylContact C-O 3.58Å; K507-Q512 WeakPolarHBondContact CA-O 3.38Å; A508-Q512 HydrophobicContact CB-CB 4.34Å; A508-Q512 PolarHBondContact N-O 2.77Å; N510-Q512 VanDerWaalsContact C-OE1 3.22Å; N510-Q512 VanDerWaalsContact CB-OE1 3.29Å; N510-Q512 PolarHBondContact O-OE1 3.22Å; Q512-L514 PolarHBondContact O-N 3.21Å
513A94.6Very high91.9Very high11 Ų1139 Ų399%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-77.6113.217200000110.7T475 V505 H515T475-A513 HydrophobicContact CG2-CB 3.56Å; V505-A513 HydrophobicContact CG1-CB 3.9Å; A513-H515 PolarHBondContact O-CE1 2.78Å; A513-H515 PolarHBondContact O-ND1 2.9Å
514L94.1Very high91.8Very high12 Ų1240.5 Ų40.56%0.06323%0.227CC..EExtended strand (participates in β ladder)trans-96.6106.8177.3-176.265.3000109.3L429 L454 R469 I471 V505 Q506 A508 Q512L429-L514 HydrophobicContact CD1-CD2 4.38Å; L429-L514 HydrophobicContact CD2-CD2 3.87Å; L454-L514 HydrophobicContact CD1-CD1 3.79Å; R469-L514 HydrophobicContact CB-CD1 3.7Å; R469-L514 HydrophobicContact CB-CG 4.12Å; I471-L514 HydrophobicContact CD1-CD1 4.13Å; I471-L514 HydrophobicContact CG1-CD1 3.9Å; V505-L514 WeakPolarHBondContact CA-O 3.27Å; Q506-L514 PolarHBondContact N-O 3.35Å; Q506-L514 WeakPolarHBondContact O-CB 3.26Å; Q506-L514 PolarHBondContact O-N 2.95Å; A508-L514 HydrophobicContact CB-CB 4.48Å; Q512-L514 PolarHBondContact O-N 3.21Å
515H98Very high91.8Very high0 Ų041.9 Ų41.90%023%0.232CC..EExtended strand (participates in β ladder)trans-92.5116.2-174.1-52.472000109.8R469 L470 T475 V502 D504 V505 A513 V517R469-H515 CarbonylContact C-O 3.6Å; R469-H515 WeakPolarHBondContact CA-O 3.39Å; L470-H515 HydrophobicContact CB-CB 4.38Å; L470-H515 PolarHBondContact N-O 3.27Å; L470-H515 PolarHBondContact O-N 2.88Å; L470-H515 PolarHBondContact O-ND1 3.3Å; T475-H515 WeakPolarHBondContact CB-NE2 3.4Å; T475-H515 PolarHBondContact OG1-NE2 3.46Å; V502-H515 HydrophobicContact CG1-CB 4.36Å; D504-H515 CarbonylContact O-C 3.49Å; V505-H515 HydrophobicContact CG2-CB 4.38Å; A513-H515 PolarHBondContact O-CE1 2.78Å; A513-H515 PolarHBondContact O-ND1 2.9Å; H515-V517 HydrophobicContact CB-CG1 4.08Å
516T96.6Very high91.8Very high25 Ų2543.9 Ų43.915%0.15325%0.253CS..EExtended strand (participates in β ladder)trans-83121.8169-56.10000109.1E467 T503 D504E467-T516 HydrophobicContact CG-CG2 4.22Å; T503-T516 PolarHBondContact N-O 3.01Å; T503-T516 PolarHBondContact OG1-O 3.34Å; D504-T516 PolarHBondContact N-O 2.92Å; D504-T516 PolarHBondContact O-N 3.2Å
517V97.8Very high92Very high0 Ų045.2 Ų45.20%026%0.259CS..EExtended strand (participates in β ladder)trans-128.8147.8-172-52.80000112.7E467 A468 L470 I491 A500 N501 V502 H515 V519E467-V517 WeakPolarHBondContact CA-O 3.44Å; A468-V517 HydrophobicContact CB-CG2 4.16Å; A468-V517 PolarHBondContact N-O 2.87Å; A468-V517 WeakPolarHBondContact O-CG2 3.49Å; A468-V517 PolarHBondContact O-N 3.42Å; L470-V517 HydrophobicContact CD1-CB 4.45Å; L470-V517 HydrophobicContact CD1-CG1 3.91Å; L470-V517 HydrophobicContact CD1-CG2 3.72Å; L470-V517 HydrophobicContact CD2-CG2 4.5Å; L470-V517 HydrophobicContact CG-CG1 4.26Å; L470-V517 HydrophobicContact CG-CG2 3.84Å; I491-V517 HydrophobicContact CD1-CG1 4.01Å; A500-V517 HydrophobicContact CB-CB 4.22Å; A500-V517 HydrophobicContact CB-CG2 4.32Å; N501-V517 CarbonylContact O-C 3.54Å; N501-V517 WeakPolarHBondContact O-CA 3.11Å; N501-V517 WeakPolarHBondContact O-CB 3.5Å; V502-V517 HydrophobicContact CB-CG1 4.46Å; V502-V517 HydrophobicContact CG2-CG1 4.01Å; H515-V517 HydrophobicContact CB-CG1 4.08Å; V517-V519 HydrophobicContact CG2-CG2 3.68Å
518E97.8Very high92.6Very high102 Ų10245.4 Ų45.448%0.47726%0.26SS..EExtended strand (participates in β ladder)trans-90.3107.6160.1-179.9-168.9-159.400108.1A500 N501 L520A500-E518 CarbonylContact C-O 3.5Å; A500-E518 WeakPolarHBondContact CA-O 3.18Å; A500-E518 WeakPolarHBondContact CB-O 3.39Å; N501-E518 HydrophobicContact CB-CB 4.34Å; N501-E518 PolarHBondContact N-O 3.47Å; N501-E518 PolarHBondContact ND2-OE2 2.97Å; N501-E518 PolarHBondContact O-N 3.33Å; E518-L520 HydrophobicContact CG-CD2 4.25Å
519V97.4Very high93.4Very high3 Ų345.6 Ų45.62%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-78.3125.7178.5-175.50000109.9V463 G464 E465 G466 A468 V517 A521 L523V463-V519 HydrophobicContact CG1-CG2 4.09Å; V463-V519 HydrophobicContact CG2-CG2 4.4Å; G464-V519 WeakPolarHBondContact O-CG1 3.4Å; E465-V519 VanDerWaalsContact CA-O 3.29Å; E465-V519 WeakPolarHBondContact CA-O 3.43Å; G466-V519 PolarHBondContact N-O 3.17Å; G466-V519 VanDerWaalsContact N-O 3.08Å; G466-V519 WeakPolarHBondContact O-CA 3.24Å; G466-V519 VanDerWaalsContact O-CB 3.23Å; G466-V519 WeakPolarHBondContact O-CB 3.38Å; G466-V519 WeakPolarHBondContact O-CG2 3.4Å; G466-V519 PolarHBondContact O-N 3.24Å; A468-V519 HydrophobicContact CB-CG2 3.76Å; V517-V519 HydrophobicContact CG2-CG2 3.68Å; V519-A521 WeakPolarHBondContact CG1-O 3.21Å; V519-L523 HydrophobicContact CB-CD1 4.39Å; V519-L523 HydrophobicContact CG1-CD1 3.85Å; V519-L523 HydrophobicContact CG2-CD1 3.75Å
520L96.5Very high94.6Very high68 Ų6845.4 Ų45.436%0.35625%0.251SS..SBendtrans-105.2-21179.1-53.5177.2000112.8I498 I499 E518I498-L520 HydrophobicContact CG2-CD1 4.11Å; I499-L520 WeakPolarHBondContact O-CA 3.33Å; I499-L520 WeakPolarHBondContact O-CB 3.49Å; I499-L520 PolarHBondContact O-N 3.32Å; E518-L520 HydrophobicContact CG-CD2 4.25Å
521A93.9Very high95.5Very high17 Ų1741.4 Ų41.414%0.1423%0.23CC..SBendtrans-152159.2175.400000109.5I499 V519 L523I499-A521 HydrophobicContact CB-CB 4.15Å; I499-A521 HydrophobicContact CG2-CB 3.99Å; I499-A521 PolarHBondContact O-N 3.44Å; I499-A521 VanDerWaalsContact O-N 3.11Å; V519-A521 WeakPolarHBondContact CG1-O 3.21Å; A521-L523 PolarHBondContact O-N 3.43Å
522S92.8Very high96.3Very high79 Ų7942.2 Ų42.255%0.55222%0.222SC*.  trans-56.5130.5-173-59.50000113.3V463V463-S522 VanDerWaalsContact O-CA 3.26Å; V463-S522 WeakPolarHBondContact O-CA 3.48Å
523L95.1Very high96.6Very high0 Ų042.2 Ų42.20%022%0.222CC..EExtended strand (participates in β ladder)trans-108.5143.8170.7-74.1148000109.2L450 I453 M462 V463 L470 I491 I499 A500 V519 A521 Y529L450-L523 HydrophobicContact CD2-CB 4.05Å; L450-L523 HydrophobicContact CD2-CD2 4.12Å; I453-L523 HydrophobicContact CD1-CB 4.47Å; M462-L523 CarbonylContact C-O 3.54Å; M462-L523 VanDerWaalsContact CA-O 3.27Å; M462-L523 WeakPolarHBondContact CA-O 3.31Å; M462-L523 VanDerWaalsContact CG-O 3.24Å; M462-L523 WeakPolarHBondContact CG-O 3.1Å; V463-L523 HydrophobicContact CG1-CB 3.87Å; V463-L523 HydrophobicContact CG1-CD1 4.17Å; V463-L523 PolarHBondContact N-O 3.34Å; V463-L523 PolarHBondContact O-N 3.44Å; L470-L523 HydrophobicContact CD1-CD1 3.88Å; L470-L523 HydrophobicContact CD2-CD1 4.38Å; I491-L523 HydrophobicContact CG2-CD2 4.33Å; I499-L523 HydrophobicContact CD1-CD2 3.31Å; I499-L523 HydrophobicContact CD1-CG 4Å; I499-L523 HydrophobicContact CG1-CD2 4.12Å; A500-L523 HydrophobicContact CB-CD1 4.15Å; V519-L523 HydrophobicContact CB-CD1 4.39Å; V519-L523 HydrophobicContact CG1-CD1 3.85Å; V519-L523 HydrophobicContact CG2-CD1 3.75Å; A521-L523 PolarHBondContact O-N 3.43Å; L523-Y529 HydrophobicContact CD2-CD1 4.21Å; L523-Y529 HydrophobicContact CD2-CD2 4.17Å; L523-Y529 HydrophobicContact CD2-CE1 3.95Å; L523-Y529 HydrophobicContact CD2-CE2 3.86Å; L523-Y529 HydrophobicContact CD2-CG 4.31Å
524K96.4Very high96.8Very high93 Ų9345.3 Ų45.340%0.40424%0.237SC..EExtended strand (participates in β ladder)trans-132.1137.5-178.5-169.7-171.1171.8-167.30111.2D461 M462 E527 Y529D461-K524 WeakPolarHBondContact O-CA 3.25Å; D461-K524 WeakPolarHBondContact O-CG 3.19Å; M462-K524 HydrophobicContact CE-CB 4.22Å; M462-K524 HydrophobicContact CE-CD 3.93Å; M462-K524 HydrophobicContact CE-CG 3.95Å; K524-E527 HydrophobicContact CB-CG 4.26Å; K524-E527 HydrophobicContact CD-CG 4.47Å; K524-E527 WeakPolarHBondContact CD-OE1 3.3Å; K524-E527 PolarHBondContact O-N 3.02Å; K524-Y529 PolarHBondContact N-OH 3.38Å; K524-Y529 PolarHBondContact O-OH 2.69Å
525E96.5Very high97Very high79 Ų7947.2 Ų47.237%0.36926%0.255SS..THydrogen-bonded Turntrans-59.7141.2174.4-169.1-174.8141.300111.2L451 I453 D461 E527L451-E525 WeakPolarHBondContact O-CG 3.36Å; I453-E525 HydrophobicContact CD1-CB 4.41Å; D461-E525 PolarHBondContact O-N 3.46Å; E525-E527 VanDerWaalsContact C-N 3.28Å; E525-E527 PolarHBondContact O-N 2.86Å
526G95.8Very high97Very high43 Ų4350.4 Ų50.444%0.44328%0.281SS..THydrogen-bonded Turntrans81.2-3.5-179.500000114.9L450L450-G526 PolarHBondContact O-N 2.99Å
527E97Very high97Very high87 Ų8750.3 Ų50.341%0.40728%0.278SS..  trans-86.3153.2172.8-70.3-175.3-17800111.6E449 L450 K524 E525 Y529E449-E527 WeakPolarHBondContact CA-O 3.34Å; L450-E527 PolarHBondContact N-O 3.17Å; K524-E527 HydrophobicContact CB-CG 4.26Å; K524-E527 HydrophobicContact CD-CG 4.47Å; K524-E527 WeakPolarHBondContact CD-OE1 3.3Å; K524-E527 PolarHBondContact O-N 3.02Å; E525-E527 VanDerWaalsContact C-N 3.28Å; E525-E527 PolarHBondContact O-N 2.86Å; E527-Y529 HydrophobicContact CB-CE2 3.68Å; E527-Y529 PolarHBondContact OE2-OH 2.62Å
528K97.6Very high97.1Very high122 Ų12250.9 Ų50.953%0.5328%0.28SS..EExtended strand (participates in β ladder)trans-93.3136.6175.1-68.5-169.9175.4-1650110.9E447 S448 E449E447-K528 HydrophobicContact CG-CB 4.36Å; S448-K528 WeakPolarHBondContact O-CA 3.33Å; E449-K528 HydrophobicContact CB-CG 4.3Å
529Y98Very high97.1Very high7 Ų749.4 Ų49.43%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-131.8151.4178.2-59.5-76.8000110.4E447 S448 L450 F472 I491 D493 I499 L523 K524 E527E447-Y529 WeakPolarHBondContact CA-O 3.32Å; S448-Y529 PolarHBondContact N-O 2.94Å; S448-Y529 PolarHBondContact O-N 3.49Å; L450-Y529 HydrophobicContact CB-CD2 3.83Å; L450-Y529 HydrophobicContact CB-CE2 3.78Å; L450-Y529 HydrophobicContact CD2-CD2 4.25Å; L450-Y529 HydrophobicContact CD2-CE2 3.7Å; L450-Y529 HydrophobicContact CG-CE2 4.43Å; F472-Y529 AromaticContact CE1-CD2 3.94Å; F472-Y529 HydrophobicContact CE1-CD2 3.94Å; F472-Y529 HydrophobicContact CE1-CG 4.45Å; I491-Y529 HydrophobicContact CG2-CD1 4.44Å; I491-Y529 HydrophobicContact CG2-CG 4.12Å; D493-Y529 HydrophobicContact CB-CD1 4.49Å; I499-Y529 HydrophobicContact CD1-CD1 3.19Å; I499-Y529 HydrophobicContact CD1-CE1 3.23Å; I499-Y529 HydrophobicContact CD1-CG 4.14Å; I499-Y529 HydrophobicContact CG1-CD1 4.5Å; L523-Y529 HydrophobicContact CD2-CD1 4.21Å; L523-Y529 HydrophobicContact CD2-CD2 4.17Å; L523-Y529 HydrophobicContact CD2-CE1 3.95Å; L523-Y529 HydrophobicContact CD2-CE2 3.86Å; L523-Y529 HydrophobicContact CD2-CG 4.31Å; K524-Y529 PolarHBondContact N-OH 3.38Å; K524-Y529 PolarHBondContact O-OH 2.69Å; E527-Y529 HydrophobicContact CB-CE2 3.68Å; E527-Y529 PolarHBondContact OE2-OH 2.62Å
530F98.2Very high97.1Very high70 Ų7051.9 Ų51.931%0.30729%0.286SS..EExtended strand (participates in β ladder)trans-90.4117.7174.2-173-97000109.7E445 E447 I491 V492 Q532E445-F530 HydrophobicContact CB-CE1 4.27Å; E445-F530 HydrophobicContact CB-CE2 4.26Å; E445-F530 HydrophobicContact CB-CZ 3.65Å; E445-F530 HydrophobicContact CG-CE1 4.07Å; E445-F530 HydrophobicContact CG-CZ 3.85Å; E445-F530 WeakPolarHBondContact OE2-CZ 3.37Å; E447-F530 HydrophobicContact CB-CD2 4.47Å; I491-F530 WeakPolarHBondContact CA-O 3.4Å; V492-F530 HydrophobicContact CB-CB 4.19Å; V492-F530 HydrophobicContact CB-CD1 4.42Å; V492-F530 PolarHBondContact N-O 2.93Å; V492-F530 PolarHBondContact O-N 3.11Å; F530-Q532 HydrophobicContact CD1-CB 4.4Å; F530-Q532 HydrophobicContact CE1-CB 4.1Å
531L98.6Very high97.2Very high0 Ų048.7 Ų48.70%027%0.269CS..EExtended strand (participates in β ladder)trans-97.1125.3-177.8-60.4-173.5000109E445 S446 F472 E474 P476 F477 I491E445-L531 CarbonylContact C-O 3.57Å; E445-L531 WeakPolarHBondContact CA-O 3.32Å; S446-L531 PolarHBondContact N-O 2.93Å; S446-L531 WeakPolarHBondContact O-CB 3.4Å; S446-L531 PolarHBondContact O-N 3.44Å; F472-L531 HydrophobicContact CB-CD1 4Å; F472-L531 HydrophobicContact CD1-CD1 4Å; F472-L531 HydrophobicContact CD1-CD2 4.1Å; F472-L531 HydrophobicContact CD1-CG 4.42Å; F472-L531 HydrophobicContact CD2-CD1 4.04Å; F472-L531 HydrophobicContact CD2-CD2 4.12Å; F472-L531 HydrophobicContact CE1-CD2 3.78Å; F472-L531 HydrophobicContact CE2-CD2 3.82Å; F472-L531 HydrophobicContact CG-CD1 3.74Å; F472-L531 HydrophobicContact CG-CD2 4.27Å; F472-L531 HydrophobicContact CZ-CD2 3.65Å; E474-L531 WeakPolarHBondContact O-CD1 3.48Å; P476-L531 HydrophobicContact CG-CB 3.82Å; F477-L531 HydrophobicContact CD2-CB 4.43Å; F477-L531 HydrophobicContact CE2-CB 3.87Å; F477-L531 HydrophobicContact CE2-CD2 4.45Å; I491-L531 HydrophobicContact CB-CD2 4.42Å; I491-L531 HydrophobicContact CD1-CD2 4.28Å; I491-L531 HydrophobicContact CG1-CD2 3.83Å; I491-L531 HydrophobicContact CG2-CD2 4.08Å
532Q98.4Very high97.4Very high62 Ų6249 Ų4929%0.2927%0.269SS..EExtended strand (participates in β ladder)trans-134.3116.3-178.6179.7174.436.300111.9E445 F477 G489 I490 F530E445-Q532 HydrophobicContact CG-CB 4.1Å; E445-Q532 HydrophobicContact CG-CG 3.79Å; E445-Q532 PolarHBondContact OE1-NE2 2.93Å; F477-Q532 VanDerWaalsContact CZ-O 3.31Å; F477-Q532 WeakPolarHBondContact CZ-O 3.49Å; G489-Q532 CarbonylContact C-O 3.5Å; G489-Q532 VanDerWaalsContact CA-O 3.32Å; G489-Q532 WeakPolarHBondContact CA-O 3.46Å; I490-Q532 HydrophobicContact CG1-CB 3.99Å; I490-Q532 HydrophobicContact CG1-CG 4.45Å; I490-Q532 PolarHBondContact N-O 3.24Å; I490-Q532 PolarHBondContact O-N 3.4Å; F530-Q532 HydrophobicContact CD1-CB 4.4Å; F530-Q532 HydrophobicContact CE1-CB 4.1Å
533V98.5Very high97.6Very high6 Ų647.3 Ų47.34%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-74.3143.2174.4176.20000110.4L444 P476 F477 D487 A535 R538L444-V533 HydrophobicContact CB-CB 4.35Å; L444-V533 HydrophobicContact CD2-CB 4.31Å; L444-V533 HydrophobicContact CD2-CG1 4.29Å; L444-V533 PolarHBondContact O-N 3.03Å; P476-V533 HydrophobicContact CB-CG2 4Å; P476-V533 HydrophobicContact CG-CG2 4.07Å; P476-V533 WeakPolarHBondContact O-CG2 3.44Å; F477-V533 HydrophobicContact CB-CG2 4.44Å; F477-V533 HydrophobicContact CD1-CG2 3.76Å; F477-V533 HydrophobicContact CD2-CG2 4.26Å; F477-V533 HydrophobicContact CE1-CG2 3.97Å; F477-V533 HydrophobicContact CE2-CG2 4.48Å; F477-V533 HydrophobicContact CG-CG2 3.88Å; F477-V533 HydrophobicContact CZ-CG2 4.33Å; D487-V533 HydrophobicContact CB-CG1 4.13Å; V533-A535 PolarHBondContact O-N 3.2Å; V533-R538 HydrophobicContact CG1-CB 4.03Å
534N98.4Very high97.8Very high77 Ų7747.3 Ų47.341%0.41225%0.251SS..  trans-68.896.8169.9-177.8-24.5000110.3K488 A536 Y537 R538K488-N534 VanDerWaalsContact O-CB 3.27Å; K488-N534 WeakPolarHBondContact O-CB 3.44Å; K488-N534 PolarHBondContact O-N 2.71Å; N534-A536 VanDerWaalsContact C-N 3.3Å; N534-A536 PolarHBondContact O-N 3.38Å; N534-A536 PolarHBondContact OD1-N 3.05Å; N534-Y537 VanDerWaalsContact CG-CB 3.48Å; N534-Y537 WeakPolarHBondContact O-CB 3.09Å; N534-Y537 PolarHBondContact O-N 3.05Å; N534-Y537 VanDerWaalsContact O-N 3.11Å; N534-Y537 PolarHBondContact OD1-N 3.11Å; N534-R538 PolarHBondContact O-N 2.91Å
535A97.9Very high97.9Very high52 Ų5243.1 Ų43.143%0.4323%0.233SC..Hα-helixtrans-56.7-39-177.200000113.7L444 V533 Y537 N539L444-A535 HydrophobicContact CD1-CB 3.61Å; V533-A535 PolarHBondContact O-N 3.2Å; A535-Y537 VanDerWaalsContact C-N 3.35Å; A535-N539 WeakPolarHBondContact O-CB 3.25Å; A535-N539 PolarHBondContact O-N 3.33Å
536A97.5Very high98Very high66 Ų6639.3 Ų39.355%0.54522%0.215SC..Hα-helixtrans-68.7-35.9179.500000112.1N534N534-A536 VanDerWaalsContact C-N 3.3Å; N534-A536 PolarHBondContact O-N 3.38Å; N534-A536 PolarHBondContact OD1-N 3.05Å
537Y98Very high98.1Very high24 Ų2437.3 Ų37.39%0.09419%0.194CC..Hα-helixtrans-70-51174.5174.5-101000111.4I485 A486 K488 N534 A535 N539 K540 I541 D572I485-Y537 WeakPolarHBondContact CD1-OH 3.2Å; A486-Y537 WeakPolarHBondContact O-CE1 3.49Å; A486-Y537 PolarHBondContact O-OH 3.09Å; K488-Y537 HydrophobicContact CB-CD1 4.18Å; K488-Y537 HydrophobicContact CB-CE1 4.04Å; K488-Y537 HydrophobicContact CD-CE1 4.14Å; K488-Y537 HydrophobicContact CD-CE2 4.18Å; K488-Y537 WeakPolarHBondContact CE-OH 3.31Å; K488-Y537 HydrophobicContact CG-CE1 3.89Å; N534-Y537 VanDerWaalsContact CG-CB 3.48Å; N534-Y537 WeakPolarHBondContact O-CB 3.09Å; N534-Y537 PolarHBondContact O-N 3.05Å; N534-Y537 VanDerWaalsContact O-N 3.11Å; N534-Y537 PolarHBondContact OD1-N 3.11Å; A535-Y537 VanDerWaalsContact C-N 3.35Å; Y537-N539 VanDerWaalsContact C-N 3.27Å; Y537-N539 PolarHBondContact O-N 3.09Å; Y537-K540 PolarHBondContact O-N 3.1Å; Y537-K540 VanDerWaalsContact O-N 3.1Å; Y537-I541 HydrophobicContact CD1-CD1 3.77Å; Y537-I541 HydrophobicContact CE1-CD1 3.3Å; Y537-I541 HydrophobicContact CE2-CD1 4.21Å; Y537-I541 HydrophobicContact CG-CD1 4.41Å; Y537-I541 PolarHBondContact O-N 2.92Å; Y537-D572 HydrophobicContact CD2-CB 3.78Å; Y537-D572 HydrophobicContact CE2-CB 3.72Å
538R98.1Very high98.2Very high12 Ų1233.2 Ų33.25%0.04518%0.175CC..Hα-helixtrans-53.3-44.8174.3173.770.677.673.67.4111.6G440 L444 P476 D487 V533 N534 K540 I541 I542G440-R538 PolarHBondContact O-NH1 3.42Å; L444-R538 HydrophobicContact CD2-CG 4.06Å; P476-R538 PolarHBondContact O-NH2 3.49Å; D487-R538 IonicContact OD1-CZ 2.83Å; D487-R538 IonicContact OD1-NE 3.08Å; D487-R538 PolarHBondContact OD1-NE 2.96Å; D487-R538 IonicContact OD1-NH2 3.92Å; D487-R538 IonicContact OD2-CZ 2.8Å; D487-R538 IonicContact OD2-NE 3.44Å; D487-R538 PolarHBondContact OD2-NE 2.82Å; D487-R538 IonicContact OD2-NH2 2.76Å; D487-R538 PolarHBondContact OD2-NH2 3.02Å; V533-R538 HydrophobicContact CG1-CB 4.03Å; N534-R538 PolarHBondContact O-N 2.91Å; R538-K540 PolarHBondContact O-N 2.66Å; R538-I541 PolarHBondContact O-N 3.24Å; R538-I541 VanDerWaalsContact O-N 3.1Å; R538-I542 HydrophobicContact CG-CG2 4.11Å; R538-I542 WeakPolarHBondContact O-CG2 3.47Å; R538-I542 PolarHBondContact O-N 3.23Å
539N97.8Very high98.1Very high71 Ų7127.9 Ų27.938%0.3815%0.152SC..Hα-helixtrans-58.9-35.1-178.8-171.818.7000112.6A535 Y537 I542 K543A535-N539 WeakPolarHBondContact O-CB 3.25Å; A535-N539 PolarHBondContact O-N 3.33Å; Y537-N539 VanDerWaalsContact C-N 3.27Å; Y537-N539 PolarHBondContact O-N 3.09Å; N539-I542 VanDerWaalsContact O-CG1 3.29Å; N539-I542 WeakPolarHBondContact O-CG1 3.48Å; N539-K543 WeakPolarHBondContact O-CD 3.44Å; N539-K543 WeakPolarHBondContact O-CG 3.43Å; N539-K543 PolarHBondContact O-N 3.42Å; N539-K543 WeakPolarHBondContact OD1-CE 3.4Å
540K98.2Very high98.1Very high55 Ų5527.6 Ų27.624%0.23915%0.151CC..Hα-helixtrans-70.9-40.4176.3-66.9179.8174-155.40112.4Y537 R538 K543 N544 D572 E683Y537-K540 PolarHBondContact O-N 3.1Å; Y537-K540 VanDerWaalsContact O-N 3.1Å; R538-K540 PolarHBondContact O-N 2.66Å; K540-K543 PolarHBondContact O-N 2.75Å; K540-N544 PolarHBondContact O-N 3.07Å; K540-N544 PolarHBondContact O-ND2 3.41Å; K540-D572 HydrophobicContact CB-CB 3.96Å; K540-D572 WeakPolarHBondContact CB-O 3.47Å; K540-D572 HydrophobicContact CD-CB 4.24Å; K540-D572 WeakPolarHBondContact CD-O 3.14Å; K540-E683 WeakPolarHBondContact CE-OE1 3.34Å; K540-E683 IonicContact NZ-OE1 3.76Å; K540-E683 PolarHBondContact NZ-OE1 3.33Å
541I98.3Very high98.1Very high0 Ų024.2 Ų24.20%014%0.136CC..Hα-helixtrans-63-49.5178.5-66.1168.9000110.5Q484 I485 Y537 R538 K543 N544 H545 V570 D572Q484-I541 HydrophobicContact CG-CG2 3.37Å; I485-I541 HydrophobicContact CD1-CD1 4.03Å; I485-I541 HydrophobicContact CD1-CG1 4.37Å; I485-I541 HydrophobicContact CG1-CD1 3.72Å; I485-I541 HydrophobicContact CG1-CG1 4.19Å; Y537-I541 HydrophobicContact CD1-CD1 3.77Å; Y537-I541 HydrophobicContact CE1-CD1 3.3Å; Y537-I541 HydrophobicContact CE2-CD1 4.21Å; Y537-I541 HydrophobicContact CG-CD1 4.41Å; Y537-I541 PolarHBondContact O-N 2.92Å; R538-I541 PolarHBondContact O-N 3.24Å; R538-I541 VanDerWaalsContact O-N 3.1Å; I541-K543 VanDerWaalsContact C-N 3.27Å; I541-K543 PolarHBondContact O-N 3.19Å; I541-N544 PolarHBondContact O-N 3.19Å; I541-N544 VanDerWaalsContact O-N 3.17Å; I541-H545 PolarHBondContact O-N 2.65Å; I541-V570 HydrophobicContact CG2-CG1 4.18Å; I541-V570 WeakPolarHBondContact O-CG1 3.26Å; I541-D572 HydrophobicContact CG1-CB 4.11Å
542I97.9Very high98Very high25 Ų2524.7 Ų24.713%0.12814%0.138CC..Hα-helixtrans-63.7-31.4-177.265178.2000112.9R538 N539 H545 T546 T650 V652R538-I542 HydrophobicContact CG-CG2 4.11Å; R538-I542 WeakPolarHBondContact O-CG2 3.47Å; R538-I542 PolarHBondContact O-N 3.23Å; N539-I542 VanDerWaalsContact O-CG1 3.29Å; N539-I542 WeakPolarHBondContact O-CG1 3.48Å; I542-H545 PolarHBondContact O-N 3.05Å; I542-T546 PolarHBondContact O-N 3.24Å; I542-T546 PolarHBondContact O-OG1 3.36Å; I542-T650 VanDerWaalsContact CG2-OG1 3.29Å; I542-T650 WeakPolarHBondContact CG2-OG1 3.42Å; I542-V652 HydrophobicContact CB-CG1 4.4Å; I542-V652 HydrophobicContact CD1-CG1 4.06Å; I542-V652 HydrophobicContact CG1-CG1 3.82Å
543K98.6Very high97.9Very high43 Ų4324.1 Ų24.119%0.18714%0.135CC..Hα-helixtrans-64.5-49.8174.1-69.8172.9-173.7-126.70111N539 K540 I541 H545 A547 V652 D657N539-K543 WeakPolarHBondContact O-CD 3.44Å; N539-K543 WeakPolarHBondContact O-CG 3.43Å; N539-K543 PolarHBondContact O-N 3.42Å; N539-K543 WeakPolarHBondContact OD1-CE 3.4Å; K540-K543 PolarHBondContact O-N 2.75Å; I541-K543 VanDerWaalsContact C-N 3.27Å; I541-K543 PolarHBondContact O-N 3.19Å; K543-H545 VanDerWaalsContact C-N 3.26Å; K543-H545 PolarHBondContact O-N 3.34Å; K543-A547 WeakPolarHBondContact O-CB 3.26Å; K543-A547 PolarHBondContact O-N 3.06Å; K543-V652 HydrophobicContact CG-CG1 3.92Å; K543-D657 WeakPolarHBondContact CE-O 3.31Å; K543-D657 PolarHBondContact NZ-O 2.87Å
544N98.6Very high97.9Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-62.4-35.1175-75.5-31.1000111.3K540 I541 T548 V570 T571 H574 L575 T680K540-N544 PolarHBondContact O-N 3.07Å; K540-N544 PolarHBondContact O-ND2 3.41Å; I541-N544 PolarHBondContact O-N 3.19Å; I541-N544 VanDerWaalsContact O-N 3.17Å; N544-T548 PolarHBondContact O-N 3.14Å; N544-T548 PolarHBondContact O-OG1 3.31Å; N544-V570 HydrophobicContact CB-CG1 3.73Å; N544-T571 PolarHBondContact ND2-O 2.97Å; N544-H574 PolarHBondContact ND2-N 3.38Å; N544-L575 HydrophobicContact CB-CB 4.13Å; N544-L575 VanDerWaalsContact O-CD2 3.29Å; N544-L575 WeakPolarHBondContact O-CD2 3.39Å; N544-T680 WeakPolarHBondContact OD1-CB 3.38Å; N544-T680 VanDerWaalsContact OD1-CG2 3.26Å; N544-T680 WeakPolarHBondContact OD1-CG2 3.49Å; N544-T680 PolarHBondContact OD1-OG1 3.23Å
545H98.4Very high97.8Very high4 Ų420.2 Ų20.22%0.01911%0.114CC..Hα-helixtrans-67.7-55179.6-156.2161.5000111.9Q484 I541 I542 K543 A547 T548 H549 V570 C647 G649 T650 H651Q484-H545 PolarHBondContact OE1-CE1 3.05Å; Q484-H545 PolarHBondContact OE1-ND1 3.02Å; I541-H545 PolarHBondContact O-N 2.65Å; I542-H545 PolarHBondContact O-N 3.05Å; K543-H545 VanDerWaalsContact C-N 3.26Å; K543-H545 PolarHBondContact O-N 3.34Å; H545-A547 VanDerWaalsContact C-N 3.26Å; H545-A547 PolarHBondContact O-N 3.41Å; H545-T548 WeakPolarHBondContact O-CA 3.48Å; H545-T548 WeakPolarHBondContact O-CB 3.42Å; H545-T548 PolarHBondContact O-N 2.55Å; H545-H549 AromaticContact CD2-NE2 3.69Å; H545-H549 AromaticContact NE2-NE2 3.71Å; H545-H549 PolarHBondContact O-CD2 3.26Å; H545-H549 PolarHBondContact O-N 3.18Å; H545-V570 HydrophobicContact CB-CG1 3.79Å; H545-V570 VanDerWaalsContact N-CG1 3.34Å; H545-C647 PolarHBondContact NE2-SG 2.74Å; H545-C647 VanDerWaalsContact NE2-SG 3.43Å; H545-G649 WeakPolarHBondContact CE1-CA 3.43Å; H545-T650 PolarHBondContact ND1-O 2.86Å; H545-H651 AromaticContact CD2-CE1 3.48Å; H545-H651 PolarHBondContact CD2-CE1 2.81Å; H545-H651 VanDerWaalsContact CD2-CE1 3.48Å; H545-H651 AromaticContact CE1-CE1 3.84Å; H545-H651 AromaticContact CG-CE1 3.51Å; H545-H651 AromaticContact CG-ND1 3.91Å; H545-H651 AromaticContact ND1-CE1 3.71Å; H545-H651 AromaticContact NE2-CE1 3.7Å
546T98.4Very high97.6Very high0 Ų018.8 Ų18.80%010%0.098CC..Hα-helixtrans-62-37.7177.8-56.10000111.2I542 T548 H549 V550 V607 I639 H651 V652 I658I542-T546 PolarHBondContact O-N 3.24Å; I542-T546 PolarHBondContact O-OG1 3.36Å; T546-T548 PolarHBondContact O-N 2.94Å; T546-H549 PolarHBondContact O-N 3.5Å; T546-H549 VanDerWaalsContact O-N 3.14Å; T546-V550 WeakPolarHBondContact O-CG2 3.24Å; T546-V550 PolarHBondContact O-N 3.43Å; T546-V607 HydrophobicContact CG2-CG2 4.03Å; T546-I639 HydrophobicContact CG2-CD1 3.82Å; T546-H651 WeakPolarHBondContact OG1-CA 3.37Å; T546-H651 VanDerWaalsContact OG1-CB 3.29Å; T546-H651 WeakPolarHBondContact OG1-CB 3.38Å; T546-H651 PolarHBondContact OG1-ND1 2.95Å; T546-V652 HydrophobicContact CG2-CG2 3.72Å; T546-V652 WeakPolarHBondContact OG1-CG2 3.49Å; T546-V652 PolarHBondContact OG1-N 3.28Å; T546-I658 HydrophobicContact CG2-CD1 3.96Å
547A98.4Very high97.5Very high0 Ų020.4 Ų20.40%09%0.094CC..Hα-helixtrans-61-28.8173.600000113.2K543 H545 V550 L551 L575 I658 F661 T680K543-A547 WeakPolarHBondContact O-CB 3.26Å; K543-A547 PolarHBondContact O-N 3.06Å; H545-A547 VanDerWaalsContact C-N 3.26Å; H545-A547 PolarHBondContact O-N 3.41Å; A547-V550 PolarHBondContact O-N 3.37Å; A547-L551 WeakPolarHBondContact O-CB 3.48Å; A547-L551 PolarHBondContact O-N 3.37Å; A547-L575 HydrophobicContact CB-CD2 3.7Å; A547-I658 HydrophobicContact CB-CD1 4.25Å; A547-I658 HydrophobicContact CB-CG2 4.06Å; A547-F661 HydrophobicContact CB-CD2 3.97Å; A547-F661 HydrophobicContact CB-CE2 4.18Å; A547-T680 HydrophobicContact CB-CG2 3.47Å; A547-T680 VanDerWaalsContact CB-CG2 3.47Å
548T97.8Very high97.4Very high2 Ų221 Ų211%0.01210%0.101CC..Hα-helixtrans-63.9-44.9174.2-57.90000110.9N544 H545 T546 L551 H552 V570 F577N544-T548 PolarHBondContact O-N 3.14Å; N544-T548 PolarHBondContact O-OG1 3.31Å; H545-T548 WeakPolarHBondContact O-CA 3.48Å; H545-T548 WeakPolarHBondContact O-CB 3.42Å; H545-T548 PolarHBondContact O-N 2.55Å; T546-T548 PolarHBondContact O-N 2.94Å; T548-L551 PolarHBondContact O-N 2.87Å; T548-H552 WeakPolarHBondContact O-CB 3.45Å; T548-H552 PolarHBondContact O-N 2.89Å; T548-V570 WeakPolarHBondContact OG1-CG2 3.36Å; T548-F577 HydrophobicContact CG2-CD2 3.41Å; T548-F577 VanDerWaalsContact CG2-CD2 3.41Å; T548-F577 HydrophobicContact CG2-CE2 3.85Å; T548-F577 HydrophobicContact CG2-CG 4.34Å
549H96.9Very high97.1Very high10 Ų1021.4 Ų21.45%0.04610%0.103CC..Hα-helixtrans-65.5-42.5175.6-66.8-65.1000112.6H545 T546 L551 H552 K553 I639 E645 C647 H651H545-H549 AromaticContact CD2-NE2 3.69Å; H545-H549 AromaticContact NE2-NE2 3.71Å; H545-H549 PolarHBondContact O-CD2 3.26Å; H545-H549 PolarHBondContact O-N 3.18Å; T546-H549 PolarHBondContact O-N 3.5Å; T546-H549 VanDerWaalsContact O-N 3.14Å; H549-L551 VanDerWaalsContact C-N 3.32Å; H549-L551 PolarHBondContact O-N 3.2Å; H549-H552 PolarHBondContact O-N 3.08Å; H549-K553 PolarHBondContact O-N 2.94Å; H549-I639 HydrophobicContact CB-CD1 4.08Å; H549-E645 WeakPolarHBondContact CA-OE1 3.49Å; H549-E645 WeakPolarHBondContact CB-OE1 3.39Å; H549-E645 IonicContact CE1-OE2 3.76Å; H549-E645 IonicContact CG-OE1 2.74Å; H549-E645 IonicContact CG-OE2 3.97Å; H549-E645 IonicContact ND1-OE1 2.72Å; H549-E645 PolarHBondContact ND1-OE1 3.01Å; H549-E645 IonicContact ND1-OE2 2.83Å; H549-E645 PolarHBondContact ND1-OE2 3.35Å; H549-C647 PolarHBondContact NE2-SG 2.83Å; H549-C647 VanDerWaalsContact NE2-SG 3.4Å; H549-H651 AromaticContact CD2-CE1 3.36Å; H549-H651 PolarHBondContact CD2-CE1 3.45Å; H549-H651 AromaticContact CD2-ND1 3.84Å; H549-H651 AromaticContact NE2-CE1 3.18Å; H549-H651 PolarHBondContact NE2-CE1 2.9Å; H549-H651 AromaticContact NE2-NE2 3.85Å
550V98.1Very high96.7Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-63.6-41.1176.8-177.40000110.7T546 A547 A554 V597 K600 I639 W642 I658T546-V550 WeakPolarHBondContact O-CG2 3.24Å; T546-V550 PolarHBondContact O-N 3.43Å; A547-V550 PolarHBondContact O-N 3.37Å; V550-A554 WeakPolarHBondContact O-CB 3.4Å; V550-A554 PolarHBondContact O-N 3.05Å; V550-V597 HydrophobicContact CB-CG1 4.33Å; V550-V597 HydrophobicContact CG1-CB 4.09Å; V550-V597 HydrophobicContact CG1-CG1 3.76Å; V550-V597 HydrophobicContact CG1-CG2 4.08Å; V550-K600 HydrophobicContact CG1-CB 3.9Å; V550-K600 HydrophobicContact CG1-CG 4.45Å; V550-I639 HydrophobicContact CG2-CD1 3.8Å; V550-W642 HydrophobicContact CB-CZ3 4.33Å; V550-W642 HydrophobicContact CG1-CH2 4.03Å; V550-W642 HydrophobicContact CG1-CZ3 3.79Å; V550-W642 WeakPolarHBondContact O-CH2 3.49Å; V550-I658 HydrophobicContact CG2-CD1 4.49Å
551L98.2Very high96Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-64-44174.217563.2000111.8A547 T548 H549 K553 A554 L555 L575 F577 V597 F661 I663 I676A547-L551 WeakPolarHBondContact O-CB 3.48Å; A547-L551 PolarHBondContact O-N 3.37Å; T548-L551 PolarHBondContact O-N 2.87Å; H549-L551 VanDerWaalsContact C-N 3.32Å; H549-L551 PolarHBondContact O-N 3.2Å; L551-K553 VanDerWaalsContact C-N 3.33Å; L551-K553 PolarHBondContact O-N 3.41Å; L551-A554 PolarHBondContact O-N 2.88Å; L551-L555 HydrophobicContact CD1-CD1 4.24Å; L551-L555 HydrophobicContact CD1-CG 4.24Å; L551-L555 HydrophobicContact CG-CD1 3.91Å; L551-L555 HydrophobicContact CG-CG 4.41Å; L551-L555 WeakPolarHBondContact O-CB 3.47Å; L551-L555 WeakPolarHBondContact O-CG 3.39Å; L551-L555 PolarHBondContact O-N 3.19Å; L551-L575 HydrophobicContact CD2-CD1 3.87Å; L551-F577 HydrophobicContact CD2-CB 4.04Å; L551-V597 HydrophobicContact CB-CG2 4.34Å; L551-V597 HydrophobicContact CD1-CG2 4.37Å; L551-F661 HydrophobicContact CB-CZ 4.24Å; L551-F661 HydrophobicContact CD1-CZ 4.08Å; L551-F661 HydrophobicContact CD2-CZ 4.23Å; L551-F661 HydrophobicContact CG-CZ 4.41Å; L551-I663 HydrophobicContact CD1-CD1 4.42Å; L551-I676 HydrophobicContact CD2-CB 4.39Å; L551-I676 HydrophobicContact CD2-CG2 3.76Å
552H96.1Very high95.1Very high9 Ų924.4 Ų24.44%0.04213%0.127CC..Hα-helixtrans-59-44.7179.1-176.4-162.2000111.6T548 H549 L555 K556 F577 E645T548-H552 WeakPolarHBondContact O-CB 3.45Å; T548-H552 PolarHBondContact O-N 2.89Å; H549-H552 PolarHBondContact O-N 3.08Å; H552-L555 WeakPolarHBondContact O-CB 3.47Å; H552-L555 PolarHBondContact O-N 3.48Å; H552-K556 WeakPolarHBondContact NE2-CE 3.24Å; H552-K556 PolarHBondContact O-N 3.23Å; H552-F577 HydrophobicContact CB-CE1 4.14Å; H552-F577 HydrophobicContact CB-CE2 4.13Å; H552-F577 HydrophobicContact CB-CZ 3.62Å; H552-F577 AromaticContact CD2-CE1 3.88Å; H552-F577 AromaticContact CD2-CZ 3.49Å; H552-F577 VanDerWaalsContact CD2-CZ 3.49Å; H552-F577 WeakPolarHBondContact CD2-CZ 3.41Å; H552-F577 AromaticContact CG-CZ 3.45Å; H552-F577 VanDerWaalsContact CG-CZ 3.45Å; H552-E645 IonicContact CE1-OE2 3.58Å; H552-E645 IonicContact ND1-OE1 3.9Å; H552-E645 IonicContact ND1-OE2 3.7Å; H552-E645 PolarHBondContact ND1-OE2 2.99Å
553K96.7Very high94.6Very high51 Ų5123.2 Ų23.222%0.22212%0.12CC..Hα-helixtrans-65.9-42.1175.5-175.465.2-175.9-171.90112.3H549 L551 L555 K556 E557 M623 W642H549-K553 PolarHBondContact O-N 2.94Å; L551-K553 VanDerWaalsContact C-N 3.33Å; L551-K553 PolarHBondContact O-N 3.41Å; K553-L555 VanDerWaalsContact C-N 3.31Å; K553-L555 PolarHBondContact O-N 3.44Å; K553-K556 PolarHBondContact O-N 3.4Å; K553-E557 PolarHBondContact O-N 3.08Å; K553-E557 VanDerWaalsContact O-N 3.09Å; K553-M623 HydrophobicContact CD-CE 4.23Å; K553-W642 HydrophobicContact CB-CE3 4.33Å; K553-W642 HydrophobicContact CB-CH2 3.58Å; K553-W642 HydrophobicContact CB-CZ2 3.92Å; K553-W642 HydrophobicContact CB-CZ3 3.79Å; K553-W642 WeakPolarHBondContact CD-O 3.19Å; K553-W642 WeakPolarHBondContact CE-O 3.37Å; K553-W642 HydrophobicContact CG-CD2 3.82Å; K553-W642 VanDerWaalsContact CG-CE2 3.48Å; K553-W642 HydrophobicContact CG-CE3 3.99Å; K553-W642 HydrophobicContact CG-CH2 3.58Å; K553-W642 HydrophobicContact CG-CZ2 3.38Å; K553-W642 HydrophobicContact CG-CZ3 3.86Å
554A97.7Very high94Very high0 Ų023.3 Ų23.30%012%0.123CC..Hα-helixtrans-62.2-37.1175.700000112.6V550 L551 E557 V558 I596 V597V550-A554 WeakPolarHBondContact O-CB 3.4Å; V550-A554 PolarHBondContact O-N 3.05Å; L551-A554 PolarHBondContact O-N 2.88Å; A554-E557 PolarHBondContact O-N 2.99Å; A554-V558 WeakPolarHBondContact O-CG2 3.45Å; A554-V558 PolarHBondContact O-N 2.92Å; A554-I596 HydrophobicContact CB-CB 4.11Å; A554-I596 HydrophobicContact CB-CG2 3.77Å; A554-V597 HydrophobicContact CB-CG2 3.86Å
555L95.2Very high93.2Very high0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-58.3-47.4173.6-83.1160.6000111.4L551 H552 K553 E557 V558 L559 A563 F577 F579 M593 I676L551-L555 HydrophobicContact CD1-CD1 4.24Å; L551-L555 HydrophobicContact CD1-CG 4.24Å; L551-L555 HydrophobicContact CG-CD1 3.91Å; L551-L555 HydrophobicContact CG-CG 4.41Å; L551-L555 WeakPolarHBondContact O-CB 3.47Å; L551-L555 WeakPolarHBondContact O-CG 3.39Å; L551-L555 PolarHBondContact O-N 3.19Å; H552-L555 WeakPolarHBondContact O-CB 3.47Å; H552-L555 PolarHBondContact O-N 3.48Å; K553-L555 VanDerWaalsContact C-N 3.31Å; K553-L555 PolarHBondContact O-N 3.44Å; L555-E557 PolarHBondContact O-N 2.76Å; L555-V558 PolarHBondContact O-N 3.37Å; L555-L559 HydrophobicContact CD2-CD1 3.59Å; L555-L559 HydrophobicContact CD2-CG 4.46Å; L555-L559 WeakPolarHBondContact O-CA 3.47Å; L555-L559 VanDerWaalsContact O-CB 3.24Å; L555-L559 WeakPolarHBondContact O-CB 3.48Å; L555-L559 PolarHBondContact O-N 3.27Å; L555-A563 HydrophobicContact CB-CB 4.42Å; L555-F577 HydrophobicContact CD1-CD1 3.4Å; L555-F577 HydrophobicContact CD1-CE1 3.46Å; L555-F577 VanDerWaalsContact CD1-CE1 3.46Å; L555-F579 HydrophobicContact CD1-CD1 4.14Å; L555-F579 HydrophobicContact CD1-CE1 4.48Å; L555-F579 HydrophobicContact CD1-CG 4.26Å; L555-F579 HydrophobicContact CD2-CD1 4.35Å; L555-F579 HydrophobicContact CD2-CD2 4.07Å; L555-F579 HydrophobicContact CD2-CE1 4.06Å; L555-F579 HydrophobicContact CD2-CE2 3.75Å; L555-F579 HydrophobicContact CD2-CG 4.36Å; L555-F579 HydrophobicContact CD2-CZ 3.74Å; L555-M593 HydrophobicContact CB-SD 4.28Å; L555-M593 HydrophobicContact CD2-CE 3.99Å; L555-M593 HydrophobicContact CD2-SD 3.21Å; L555-M593 WeakPolarHBondContact CD2-SD 3.33Å; L555-M593 HydrophobicContact CG-SD 3.68Å; L555-I676 HydrophobicContact CD1-CD1 4.43Å; L555-I676 HydrophobicContact CD2-CD1 3.76Å; L555-I676 HydrophobicContact CG-CD1 4.47Å
556K93.7Very high92.3Very high22 Ų2227.7 Ų27.710%0.09615%0.153CC..Hα-helixtrans-64.8-37.7177.9-74.4177.7172.6-82.40112.7H552 K553 G560 D561 A563 N564 M623H552-K556 WeakPolarHBondContact NE2-CE 3.24Å; H552-K556 PolarHBondContact O-N 3.23Å; K553-K556 PolarHBondContact O-N 3.4Å; K556-G560 WeakPolarHBondContact CA-O 3.31Å; K556-G560 CarbonylContact O-C 3.54Å; K556-G560 VanDerWaalsContact O-C 3.31Å; K556-G560 WeakPolarHBondContact O-CA 3.48Å; K556-G560 PolarHBondContact O-N 2.88Å; K556-D561 PolarHBondContact NZ-O 2.91Å; K556-A563 WeakPolarHBondContact CE-O 3.47Å; K556-A563 HydrophobicContact CG-CB 4.42Å; K556-N564 PolarHBondContact NZ-OD1 3.46Å; K556-M623 HydrophobicContact CD-SD 3.78Å
557E95.4Very high91.5Very high100 Ų10028.6 Ų28.647%0.46716%0.163SC..Hα-helixtrans-67.9-38.4177.2-71.1-172.3171.800113.4K553 A554 L555 W642K553-E557 PolarHBondContact O-N 3.08Å; K553-E557 VanDerWaalsContact O-N 3.09Å; A554-E557 PolarHBondContact O-N 2.99Å; L555-E557 PolarHBondContact O-N 2.76Å; E557-W642 PolarHBondContact OE1-NE1 3.12Å
558V96.1Very high91Very high38 Ų3829.9 Ų29.923%0.2317%0.171CC..Hα-helixtrans-85.3-42.5-176.9176.10000111.9A554 L555 E589 E592 M593 I596A554-V558 WeakPolarHBondContact O-CG2 3.45Å; A554-V558 PolarHBondContact O-N 2.92Å; L555-V558 PolarHBondContact O-N 3.37Å; V558-E589 HydrophobicContact CG1-CB 3.78Å; V558-E589 HydrophobicContact CG1-CG 3.87Å; V558-E592 HydrophobicContact CG2-CB 4.35Å; V558-E592 HydrophobicContact CG2-CG 4.15Å; V558-M593 HydrophobicContact CB-CG 3.68Å; V558-M593 HydrophobicContact CB-SD 4.32Å; V558-M593 HydrophobicContact CG1-CG 3.98Å; V558-M593 HydrophobicContact CG2-CG 3.56Å; V558-I596 HydrophobicContact CG2-CD1 3.55Å
559L92.5Very high90.7Very high19 Ų1931.8 Ų31.810%0.09918%0.181CC..Hα-helixtrans-98.1-28.8-172.8-55.9-177.7000113.2L555 H562 A563 F579 V585 E589 M593L555-L559 HydrophobicContact CD2-CD1 3.59Å; L555-L559 HydrophobicContact CD2-CG 4.46Å; L555-L559 WeakPolarHBondContact O-CA 3.47Å; L555-L559 VanDerWaalsContact O-CB 3.24Å; L555-L559 WeakPolarHBondContact O-CB 3.48Å; L555-L559 PolarHBondContact O-N 3.27Å; L559-H562 PolarHBondContact O-CE1 3.18Å; L559-A563 HydrophobicContact CB-CB 4.31Å; L559-F579 HydrophobicContact CD1-CD2 4.38Å; L559-F579 HydrophobicContact CD1-CE2 3.6Å; L559-F579 HydrophobicContact CD1-CZ 4.3Å; L559-V585 HydrophobicContact CD1-CG2 3.87Å; L559-V585 HydrophobicContact CD2-CG1 4.24Å; L559-V585 HydrophobicContact CD2-CG2 4.43Å; L559-E589 HydrophobicContact CD2-CB 4.13Å; L559-E589 HydrophobicContact CD2-CG 4.13Å; L559-M593 HydrophobicContact CD1-SD 4.39Å; L559-M593 HydrophobicContact CG-SD 4.37Å
560G88.6Confident90.7Very high24 Ų2431.3 Ų31.325%0.24718%0.179CC..  trans115.3167.5-175.900000113.8K556 H562 A563K556-G560 WeakPolarHBondContact CA-O 3.31Å; K556-G560 CarbonylContact O-C 3.54Å; K556-G560 VanDerWaalsContact O-C 3.31Å; K556-G560 WeakPolarHBondContact O-CA 3.48Å; K556-G560 PolarHBondContact O-N 2.88Å; G560-H562 PolarHBondContact O-N 3.12Å; G560-H562 VanDerWaalsContact O-N 3.11Å; G560-A563 WeakPolarHBondContact O-CB 3.3Å; G560-A563 PolarHBondContact O-N 3.27Å; G560-A563 VanDerWaalsContact O-N 3.09Å
561D84.3Confident90.6Very high130 Ų13032.1 Ų32.170%0.69518%0.184SC*.THydrogen-bonded Turntrans-64-19.7-172.1-70.5-43.6000114.5K556 A563K556-D561 PolarHBondContact NZ-O 2.91Å; D561-A563 PolarHBondContact O-N 3.12Å
562H79.5Confident90.5Very high36 Ų3633.6 Ų33.617%0.16719%0.192CC..THydrogen-bonded Turntrans-69-11.9175.466.5-87.4000113.9F328 L559 G560 N564 T580 H581 F582F328-H562 HydrophobicContact CD2-CB 4.13Å; F328-H562 AromaticContact CD2-ND1 3.91Å; F328-H562 HydrophobicContact CE2-CB 3.36Å; F328-H562 AromaticContact CE2-CD2 3.85Å; F328-H562 AromaticContact CE2-CG 3.34Å; F328-H562 AromaticContact CE2-ND1 3.66Å; F328-H562 HydrophobicContact CZ-CB 3.56Å; L559-H562 PolarHBondContact O-CE1 3.18Å; G560-H562 PolarHBondContact O-N 3.12Å; G560-H562 VanDerWaalsContact O-N 3.11Å; H562-N564 PolarHBondContact O-N 3.24Å; H562-T580 PolarHBondContact O-OG1 3.47Å; H562-H581 AromaticContact CD2-ND1 3.99Å; H562-H581 AromaticContact NE2-CE1 3.79Å; H562-H581 AromaticContact NE2-ND1 3.14Å; H562-H581 PolarHBondContact NE2-ND1 3.2Å; H562-H581 VanDerWaalsContact NE2-ND1 3.14Å; H562-F582 AromaticContact CD2-CD2 3.79Å; H562-F582 AromaticContact CD2-CE2 3.7Å; H562-F582 AromaticContact NE2-CD2 3.91Å
563A88Confident90.5Very high0 Ų038.1 Ų38.10%021%0.212CC..  trans-74.97217600000111.5L555 K556 L559 G560 D561 F579 T580L555-A563 HydrophobicContact CB-CB 4.42Å; K556-A563 WeakPolarHBondContact CE-O 3.47Å; K556-A563 HydrophobicContact CG-CB 4.42Å; L559-A563 HydrophobicContact CB-CB 4.31Å; G560-A563 WeakPolarHBondContact O-CB 3.3Å; G560-A563 PolarHBondContact O-N 3.27Å; G560-A563 VanDerWaalsContact O-N 3.09Å; D561-A563 PolarHBondContact O-N 3.12Å; A563-F579 HydrophobicContact CB-CD2 4.33Å; A563-T580 VanDerWaalsContact CA-O 3.32Å; A563-T580 WeakPolarHBondContact CA-O 3.48Å
564N84.4Confident90.5Very high45 Ų4537.9 Ų37.924%0.24121%0.211CC..  trans-91.2149.4178.5-64.7-51.6000111.2K556 H562 A566 F579 T580 F626K556-N564 PolarHBondContact NZ-OD1 3.46Å; H562-N564 PolarHBondContact O-N 3.24Å; N564-A566 PolarHBondContact O-N 2.92Å; N564-F579 CarbonylContact O-C 3.48Å; N564-F579 WeakPolarHBondContact O-CA 3.43Å; N564-F579 WeakPolarHBondContact O-CB 3.39Å; N564-T580 PolarHBondContact N-OG1 2.92Å; N564-T580 VanDerWaalsContact N-OG1 3.1Å; N564-T580 PolarHBondContact O-N 3.3Å; N564-T580 PolarHBondContact O-OG1 3.32Å; N564-F626 HydrophobicContact CB-CB 4.45Å
565Q83.4Confident90.5Very high39 Ų3937.9 Ų37.918%0.18221%0.211CC..EExtended strand (participates in β ladder)trans-58.6128.8172.4-175.8176.1-44.600111.2F577 L625Q565-F577 HydrophobicContact CB-CE2 3.93Å; Q565-F577 HydrophobicContact CB-CZ 3.69Å; Q565-F577 HydrophobicContact CG-CD2 4.47Å; Q565-F577 HydrophobicContact CG-CE2 3.67Å; Q565-F577 HydrophobicContact CG-CZ 3.95Å; Q565-L625 HydrophobicContact CB-CD2 3.8Å; Q565-L625 HydrophobicContact CG-CD2 3.91Å; Q565-L625 VanDerWaalsContact NE2-CD2 3.31Å
566A79.7Confident90.5Very high57 Ų5741.2 Ų41.247%0.47122%0.224SC..EExtended strand (participates in β ladder)trans-114.1-9.2172.500000112.6N564 D578 T580 V673N564-A566 PolarHBondContact O-N 2.92Å; A566-D578 HydrophobicContact CB-CB 4.46Å; A566-D578 PolarHBondContact N-O 3.4Å; A566-T580 HydrophobicContact CB-CG2 4.36Å; A566-V673 HydrophobicContact CB-CG1 3.82Å
567G81.3Confident90.6Very high19 Ų1940.2 Ų40.220%0.19622%0.219CC..EExtended strand (participates in β ladder)trans176.8153.4177.900000111D578G567-D578 PolarHBondContact N-O 3.45Å; G567-D578 PolarHBondContact O-N 3.26Å
568S88.2Confident90.3Very high26 Ų2636.1 Ų36.118%0.18220%0.2CC..EExtended strand (participates in β ladder)trans-147.2141.6179.1-1780000110G483 R576G483-S568 WeakPolarHBondContact CA-O 3.39Å; S568-R576 WeakPolarHBondContact CA-O 3.33Å
569L91.2Very high89.8Confident43 Ų4334.3 Ų34.323%0.22519%0.189CC..EExtended strand (participates in β ladder)trans-139.2120.7168.5171.968.9000108.6G483 I485 T571 L575 R576G483-L569 CarbonylContact O-C 3.56Å; G483-L569 WeakPolarHBondContact O-CA 3.45Å; I485-L569 HydrophobicContact CG2-CD1 3.87Å; L569-T571 HydrophobicContact CD1-CG2 3.97Å; L569-T571 HydrophobicContact CD2-CG2 4.16Å; L569-T571 HydrophobicContact CG-CG2 3.82Å; L569-L575 CarbonylContact O-C 3.54Å; L569-L575 WeakPolarHBondContact O-CA 3.43Å; L569-R576 HydrophobicContact CB-CB 4.18Å; L569-R576 PolarHBondContact N-O 2.93Å; L569-R576 PolarHBondContact O-N 3.11Å
570V95.9Very high89.3Confident0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-120.3111.7-177.2177.40000107.9G483 I485 I541 N544 H545 T548G483-V570 PolarHBondContact O-N 2.99Å; I485-V570 WeakPolarHBondContact CG1-O 3.48Å; I485-V570 PolarHBondContact N-O 3.44Å; I485-V570 VanDerWaalsContact N-O 3.13Å; I541-V570 HydrophobicContact CG2-CG1 4.18Å; I541-V570 WeakPolarHBondContact O-CG1 3.26Å; N544-V570 HydrophobicContact CB-CG1 3.73Å; H545-V570 HydrophobicContact CB-CG1 3.79Å; H545-V570 VanDerWaalsContact N-CG1 3.34Å; T548-V570 WeakPolarHBondContact OG1-CG2 3.36Å
571T96.6Very high89.2Confident17 Ų1734.3 Ų34.310%0.10419%0.185CC..  trans-115.7178.9-177.371.70000111.9I485 N544 L569 K573 H574I485-T571 HydrophobicContact CD1-CG2 4.38Å; I485-T571 HydrophobicContact CG2-CG2 4.09Å; N544-T571 PolarHBondContact ND2-O 2.97Å; L569-T571 HydrophobicContact CD1-CG2 3.97Å; L569-T571 HydrophobicContact CD2-CG2 4.16Å; L569-T571 HydrophobicContact CG-CG2 3.82Å; T571-K573 PolarHBondContact O-N 3.2Å; T571-K573 PolarHBondContact OG1-N 3.1Å; T571-K573 VanDerWaalsContact OG1-N 3.13Å; T571-H574 PolarHBondContact N-O 3.07Å; T571-H574 PolarHBondContact OG1-N 2.83Å; T571-H574 PolarHBondContact OG1-ND1 3.1Å; T571-H574 PolarHBondContact OG1-O 3.39Å
572D96.7Very high88.7Confident31 Ų3130.4 Ų30.417%0.16616%0.162CC..SBendtrans-72.6-11.7170.174.5-62.6000113.2Y537 K540 I541Y537-D572 HydrophobicContact CD2-CB 3.78Å; Y537-D572 HydrophobicContact CE2-CB 3.72Å; K540-D572 HydrophobicContact CB-CB 3.96Å; K540-D572 WeakPolarHBondContact CB-O 3.47Å; K540-D572 HydrophobicContact CD-CB 4.24Å; K540-D572 WeakPolarHBondContact CD-O 3.14Å; I541-D572 HydrophobicContact CG1-CB 4.11Å
573K95.4Very high88.7Confident104 Ų10431.2 Ų31.245%0.45218%0.18SC..SBendtrans-105.9-39.7-175.8-60.6-54.6-176.6-167.20113.8T571 L679T571-K573 PolarHBondContact O-N 3.2Å; T571-K573 PolarHBondContact OG1-N 3.1Å; T571-K573 VanDerWaalsContact OG1-N 3.13Å; K573-L679 VanDerWaalsContact O-CD2 3.23Å; K573-L679 WeakPolarHBondContact O-CD2 2.9Å
574H97.3Very high88.5Confident45 Ų4538.4 Ų38.421%0.20821%0.213CC..  trans-156.5165.1-172.771.1-66.4000110.4N544 T571 A678 L679N544-H574 PolarHBondContact ND2-N 3.38Å; T571-H574 PolarHBondContact N-O 3.07Å; T571-H574 PolarHBondContact OG1-N 2.83Å; T571-H574 PolarHBondContact OG1-ND1 3.1Å; T571-H574 PolarHBondContact OG1-O 3.39Å; H574-A678 WeakPolarHBondContact CA-O 3.06Å; H574-A678 WeakPolarHBondContact CB-O 3.43Å; H574-L679 HydrophobicContact CB-CD2 3.56Å
575L98.1Very high88.9Confident0 Ų036.4 Ų36.40%020%0.203CC..EExtended strand (participates in β ladder)trans-109.3149.9160.472.390.2000110.1N544 A547 L551 L569 F577 F661 E677 A678N544-L575 HydrophobicContact CB-CB 4.13Å; N544-L575 VanDerWaalsContact O-CD2 3.29Å; N544-L575 WeakPolarHBondContact O-CD2 3.39Å; A547-L575 HydrophobicContact CB-CD2 3.7Å; L551-L575 HydrophobicContact CD2-CD1 3.87Å; L569-L575 CarbonylContact O-C 3.54Å; L569-L575 WeakPolarHBondContact O-CA 3.43Å; L575-F577 HydrophobicContact CD1-CB 4.31Å; L575-F661 HydrophobicContact CD2-CE2 4.09Å; L575-E677 WeakPolarHBondContact O-CA 3.48Å; L575-A678 HydrophobicContact CD1-CB 4Å; L575-A678 HydrophobicContact CD2-CB 4.38Å; L575-A678 HydrophobicContact CG-CB 3.99Å; L575-A678 PolarHBondContact N-O 2.97Å; L575-A678 PolarHBondContact O-N 3.32Å
576R95.2Very high89.4Confident71 Ų7137.7 Ų37.727%0.26821%0.214SC..EExtended strand (participates in β ladder)trans-126.5128.1169.4170.6-153.4-74.7179.44.8107.3S568 L569 R675 I676 E677S568-R576 WeakPolarHBondContact CA-O 3.33Å; L569-R576 HydrophobicContact CB-CB 4.18Å; L569-R576 PolarHBondContact N-O 2.93Å; L569-R576 PolarHBondContact O-N 3.11Å; R576-R675 VanDerWaalsContact CD-CZ 3.44Å; R576-R675 VanDerWaalsContact CD-NE 3.3Å; R576-R675 HydrophobicContact CG-CG 3.87Å; R576-I676 WeakPolarHBondContact CA-O 3.34Å; R576-E677 HydrophobicContact CB-CG 4.16Å; R576-E677 HydrophobicContact CG-CG 4.21Å; R576-E677 IonicContact NE-OE1 3.34Å
577F94.3Very high90.1Very high0 Ų038.1 Ų38.10%022%0.217CC..EExtended strand (participates in β ladder)trans-125117.9178.5-167-105.8000110.2T548 L551 H552 L555 Q565 L575 F579 R675 I676T548-F577 HydrophobicContact CG2-CD2 3.41Å; T548-F577 VanDerWaalsContact CG2-CD2 3.41Å; T548-F577 HydrophobicContact CG2-CE2 3.85Å; T548-F577 HydrophobicContact CG2-CG 4.34Å; L551-F577 HydrophobicContact CD2-CB 4.04Å; H552-F577 HydrophobicContact CB-CE1 4.14Å; H552-F577 HydrophobicContact CB-CE2 4.13Å; H552-F577 HydrophobicContact CB-CZ 3.62Å; H552-F577 AromaticContact CD2-CE1 3.88Å; H552-F577 AromaticContact CD2-CZ 3.49Å; H552-F577 VanDerWaalsContact CD2-CZ 3.49Å; H552-F577 WeakPolarHBondContact CD2-CZ 3.41Å; H552-F577 AromaticContact CG-CZ 3.45Å; H552-F577 VanDerWaalsContact CG-CZ 3.45Å; L555-F577 HydrophobicContact CD1-CD1 3.4Å; L555-F577 HydrophobicContact CD1-CE1 3.46Å; L555-F577 VanDerWaalsContact CD1-CE1 3.46Å; Q565-F577 HydrophobicContact CB-CE2 3.93Å; Q565-F577 HydrophobicContact CB-CZ 3.69Å; Q565-F577 HydrophobicContact CG-CD2 4.47Å; Q565-F577 HydrophobicContact CG-CE2 3.67Å; Q565-F577 HydrophobicContact CG-CZ 3.95Å; L575-F577 HydrophobicContact CD1-CB 4.31Å; F577-F579 HydrophobicContact CD1-CB 4.14Å; F577-F579 HydrophobicContact CD1-CD1 4.07Å; F577-F579 HydrophobicContact CD1-CG 4.47Å; F577-F579 HydrophobicContact CE1-CB 3.83Å; F577-R675 WeakPolarHBondContact O-CA 3.41Å; F577-I676 PolarHBondContact N-O 2.77Å; F577-I676 PolarHBondContact O-N 3.44Å
578D88.9Confident90.9Very high14 Ų1442.6 Ų42.68%0.07524%0.24CC..EExtended strand (participates in β ladder)trans-99.4133.1175.5-60.7-19.1000108.5A566 G567 I669 V673 R674 R675A566-D578 HydrophobicContact CB-CB 4.46Å; A566-D578 PolarHBondContact N-O 3.4Å; G567-D578 PolarHBondContact N-O 3.45Å; G567-D578 PolarHBondContact O-N 3.26Å; D578-I669 HydrophobicContact CB-CD1 4.03Å; D578-I669 WeakPolarHBondContact OD2-CD1 3.12Å; D578-V673 HydrophobicContact CB-CG1 4.28Å; D578-R674 CarbonylContact C-O 3.51Å; D578-R674 WeakPolarHBondContact CA-O 3.48Å; D578-R675 VanDerWaalsContact OD1-CB 3.25Å; D578-R675 WeakPolarHBondContact OD1-CB 3.46Å; D578-R675 VanDerWaalsContact OD1-CG 3.24Å; D578-R675 WeakPolarHBondContact OD1-CG 3.35Å; D578-R675 IonicContact OD1-CZ 2.88Å; D578-R675 IonicContact OD1-NE 3.77Å; D578-R675 PolarHBondContact OD1-NE 3.38Å; D578-R675 IonicContact OD1-NH2 2.88Å; D578-R675 PolarHBondContact OD1-NH2 2.94Å; D578-R675 IonicContact OD2-CZ 2.85Å; D578-R675 IonicContact OD2-NE 3.66Å; D578-R675 IonicContact OD2-NH2 3.27Å; D578-R675 PolarHBondContact OD2-NH2 3.18Å
579F87.5Confident91.3Very high0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-144.4152.8-174.862.7-78.2000112.6L555 L559 A563 N564 F577 H581 V585 V673 R674 I676L555-F579 HydrophobicContact CD1-CD1 4.14Å; L555-F579 HydrophobicContact CD1-CE1 4.48Å; L555-F579 HydrophobicContact CD1-CG 4.26Å; L555-F579 HydrophobicContact CD2-CD1 4.35Å; L555-F579 HydrophobicContact CD2-CD2 4.07Å; L555-F579 HydrophobicContact CD2-CE1 4.06Å; L555-F579 HydrophobicContact CD2-CE2 3.75Å; L555-F579 HydrophobicContact CD2-CG 4.36Å; L555-F579 HydrophobicContact CD2-CZ 3.74Å; L559-F579 HydrophobicContact CD1-CD2 4.38Å; L559-F579 HydrophobicContact CD1-CE2 3.6Å; L559-F579 HydrophobicContact CD1-CZ 4.3Å; A563-F579 HydrophobicContact CB-CD2 4.33Å; N564-F579 CarbonylContact O-C 3.48Å; N564-F579 WeakPolarHBondContact O-CA 3.43Å; N564-F579 WeakPolarHBondContact O-CB 3.39Å; F577-F579 HydrophobicContact CD1-CB 4.14Å; F577-F579 HydrophobicContact CD1-CD1 4.07Å; F577-F579 HydrophobicContact CD1-CG 4.47Å; F577-F579 HydrophobicContact CE1-CB 3.83Å; F579-H581 HydrophobicContact CD2-CB 3.7Å; F579-H581 HydrophobicContact CE2-CB 3.5Å; F579-H581 VanDerWaalsContact CE2-CB 3.5Å; F579-H581 PolarHBondContact O-N 3.16Å; F579-V585 HydrophobicContact CE2-CG2 4.12Å; F579-V585 HydrophobicContact CZ-CG2 3.87Å; F579-V673 WeakPolarHBondContact O-CA 3.26Å; F579-R674 HydrophobicContact CD1-CB 4.23Å; F579-R674 WeakPolarHBondContact CD1-O 3.29Å; F579-R674 HydrophobicContact CD2-CB 4.32Å; F579-R674 HydrophobicContact CE1-CB 3.68Å; F579-R674 HydrophobicContact CE2-CB 3.8Å; F579-R674 HydrophobicContact CE2-CG 4.28Å; F579-R674 HydrophobicContact CZ-CB 3.45Å; F579-R674 VanDerWaalsContact CZ-CB 3.45Å; F579-R674 HydrophobicContact CZ-CG 4.29Å; F579-R674 PolarHBondContact N-O 3.05Å; F579-R674 PolarHBondContact O-N 3.14Å; F579-I676 HydrophobicContact CE1-CB 4.39Å; F579-I676 HydrophobicContact CE1-CD1 3.65Å; F579-I676 HydrophobicContact CE1-CG1 3.8Å; F579-I676 HydrophobicContact CZ-CD1 3.92Å; F579-I676 HydrophobicContact CZ-CG1 4.33Å
580T81.2Confident91.6Very high33 Ų3343.5 Ų43.520%0.20224%0.242CC..EExtended strand (participates in β ladder)trans-76.2117.7176.749.20000110.6H562 A563 N564 A566 G672H562-T580 PolarHBondContact O-OG1 3.47Å; A563-T580 VanDerWaalsContact CA-O 3.32Å; A563-T580 WeakPolarHBondContact CA-O 3.48Å; N564-T580 PolarHBondContact N-OG1 2.92Å; N564-T580 VanDerWaalsContact N-OG1 3.1Å; N564-T580 PolarHBondContact O-N 3.3Å; N564-T580 PolarHBondContact O-OG1 3.32Å; A566-T580 HydrophobicContact CB-CG2 4.36Å; T580-G672 CarbonylContact C-O 3.57Å; T580-G672 WeakPolarHBondContact CA-O 3.4Å
581H85.4Confident91.7Very high11 Ų1150.9 Ų50.95%0.05127%0.273CS..  trans-159.3149176.3-175.180000112H562 F579 G583 G672 R674H562-H581 AromaticContact CD2-ND1 3.99Å; H562-H581 AromaticContact NE2-CE1 3.79Å; H562-H581 AromaticContact NE2-ND1 3.14Å; H562-H581 PolarHBondContact NE2-ND1 3.2Å; H562-H581 VanDerWaalsContact NE2-ND1 3.14Å; F579-H581 HydrophobicContact CD2-CB 3.7Å; F579-H581 HydrophobicContact CE2-CB 3.5Å; F579-H581 VanDerWaalsContact CE2-CB 3.5Å; F579-H581 PolarHBondContact O-N 3.16Å; H581-G583 PolarHBondContact CD2-O 2.65Å; H581-G672 PolarHBondContact N-O 2.83Å; H581-G672 CarbonylContact O-C 3.47Å; H581-R674 HydrophobicContact CB-CG 3.89Å
582F74.9Confident91.8Very high48 Ų4853.8 Ų53.821%0.21129%0.286CS..SBendtrans-93.5111.1-174.4-56-94.8000110.4L273 F328 V332 H562L273-F582 HydrophobicContact CB-CE1 3.9Å; L273-F582 HydrophobicContact CB-CZ 4.28Å; L273-F582 HydrophobicContact CD1-CD1 4.27Å; L273-F582 HydrophobicContact CD1-CD2 4.47Å; L273-F582 HydrophobicContact CD1-CE1 3.58Å; L273-F582 HydrophobicContact CD1-CE2 3.73Å; L273-F582 HydrophobicContact CD1-CZ 3.35Å; L273-F582 HydrophobicContact CD2-CE1 3.53Å; L273-F582 HydrophobicContact CD2-CE2 4.03Å; L273-F582 HydrophobicContact CD2-CZ 3.07Å; L273-F582 HydrophobicContact CG-CE1 3.82Å; L273-F582 HydrophobicContact CG-CE2 4.48Å; L273-F582 HydrophobicContact CG-CZ 3.68Å; F328-F582 HydrophobicContact CD2-CE2 4.35Å; F328-F582 HydrophobicContact CE1-CE2 4.5Å; F328-F582 HydrophobicContact CE1-CZ 4.28Å; F328-F582 AromaticContact CE2-CD2 3.94Å; F328-F582 HydrophobicContact CE2-CD2 3.94Å; F328-F582 AromaticContact CE2-CE2 3.13Å; F328-F582 HydrophobicContact CE2-CE2 3.13Å; F328-F582 AromaticContact CE2-CZ 3.64Å; F328-F582 HydrophobicContact CE2-CZ 3.64Å; F328-F582 HydrophobicContact CZ-CD2 4.41Å; F328-F582 AromaticContact CZ-CE2 3.24Å; F328-F582 HydrophobicContact CZ-CE2 3.24Å; F328-F582 AromaticContact CZ-CZ 3.32Å; F328-F582 HydrophobicContact CZ-CZ 3.32Å; V332-F582 HydrophobicContact CB-CE1 3.96Å; V332-F582 HydrophobicContact CB-CZ 4.34Å; V332-F582 HydrophobicContact CG1-CD1 4.19Å; V332-F582 HydrophobicContact CG1-CE1 3.53Å; V332-F582 HydrophobicContact CG1-CZ 4.24Å; V332-F582 HydrophobicContact CG2-CD1 3.8Å; V332-F582 HydrophobicContact CG2-CD2 4.38Å; V332-F582 HydrophobicContact CG2-CE1 3.18Å; V332-F582 HydrophobicContact CG2-CE2 3.93Å; V332-F582 HydrophobicContact CG2-CG 4.3Å; V332-F582 HydrophobicContact CG2-CZ 3.17Å; H562-F582 AromaticContact CD2-CD2 3.79Å; H562-F582 AromaticContact CD2-CE2 3.7Å; H562-F582 AromaticContact NE2-CD2 3.91Å
583G78.6Confident91.8Very high53 Ų5352.3 Ų52.355%0.54628%0.278SS..SBendtrans76.7-172.8175.300000113.4H581 V585 R674H581-G583 PolarHBondContact CD2-O 2.65Å; G583-V585 PolarHBondContact O-N 3.34Å; G583-R674 WeakPolarHBondContact O-CD 3.29Å; G583-R674 PolarHBondContact O-NE 3.22Å
584Q85.3Confident91.9Very high150 Ų15049.6 Ų49.670%0.70127%0.267SS*.  trans-81116-172.2-163.4179.712.200112T586Q584-T586 PolarHBondContact O-N 3.46Å
585V92.5Very high92Very high3 Ų352.7 Ų52.72%0.01828%0.28CS..  trans-49.9117.9159.4-173.10000109L559 F579 G583 E589 L590 M593 E666L559-V585 HydrophobicContact CD1-CG2 3.87Å; L559-V585 HydrophobicContact CD2-CG1 4.24Å; L559-V585 HydrophobicContact CD2-CG2 4.43Å; F579-V585 HydrophobicContact CE2-CG2 4.12Å; F579-V585 HydrophobicContact CZ-CG2 3.87Å; G583-V585 PolarHBondContact O-N 3.34Å; V585-E589 HydrophobicContact CG1-CB 3.72Å; V585-L590 HydrophobicContact CB-CD2 4.5Å; V585-L590 HydrophobicContact CB-CG 4.5Å; V585-L590 HydrophobicContact CG1-CD2 3.82Å; V585-L590 HydrophobicContact CG1-CG 3.74Å; V585-M593 HydrophobicContact CG1-CE 3.56Å; V585-E666 HydrophobicContact CB-CG 4.3Å
586T93.8Very high92Very high67 Ų6753.7 Ų53.741%0.41129%0.285SS..  trans-72.6158.6-176.666.40000111.3Q584 V588 E589 L590Q584-T586 PolarHBondContact O-N 3.46Å; T586-V588 PolarHBondContact O-N 3.29Å; T586-V588 VanDerWaalsContact O-N 3.13Å; T586-E589 WeakPolarHBondContact CB-OE2 3.35Å; T586-E589 WeakPolarHBondContact CG2-OE2 3.43Å; T586-E589 PolarHBondContact N-OE2 2.86Å; T586-E589 PolarHBondContact O-N 2.91Å; T586-E589 VanDerWaalsContact O-N 3.16Å; T586-E589 VanDerWaalsContact OG1-CD 3.25Å; T586-E589 VanDerWaalsContact OG1-CG 3.31Å; T586-E589 WeakPolarHBondContact OG1-CG 3.49Å; T586-E589 PolarHBondContact OG1-N 3.45Å; T586-E589 PolarHBondContact OG1-OE2 3.21Å; T586-L590 PolarHBondContact O-N 3.4Å
587A94.9Very high92.2Very high66 Ų6650.3 Ų50.355%0.54527%0.272SS..Hα-helixtrans-61.3-21.3174.800000113.5K591A587-K591 VanDerWaalsContact O-CG 3.24Å; A587-K591 WeakPolarHBondContact O-CG 3.36Å; A587-K591 PolarHBondContact O-N 2.95Å
588V96.9Very high92.4Very high112 Ų11250.9 Ų50.968%0.67928%0.275SS*.Hα-helixtrans-77.1-45.9175.4176.80000110.3T586 K591 E592T586-V588 PolarHBondContact O-N 3.29Å; T586-V588 VanDerWaalsContact O-N 3.13Å; V588-K591 PolarHBondContact O-N 3.22Å; V588-E592 PolarHBondContact O-N 3.01Å
589E97.1Very high92.8Very high56 Ų5654.5 Ų54.526%0.26229%0.292SS..Hα-helixtrans-62.5-43.4176.5-70.6158.9149.300111.3V558 L559 V585 T586 K591 E592 M593V558-E589 HydrophobicContact CG1-CB 3.78Å; V558-E589 HydrophobicContact CG1-CG 3.87Å; L559-E589 HydrophobicContact CD2-CB 4.13Å; L559-E589 HydrophobicContact CD2-CG 4.13Å; V585-E589 HydrophobicContact CG1-CB 3.72Å; T586-E589 WeakPolarHBondContact CB-OE2 3.35Å; T586-E589 WeakPolarHBondContact CG2-OE2 3.43Å; T586-E589 PolarHBondContact N-OE2 2.86Å; T586-E589 PolarHBondContact O-N 2.91Å; T586-E589 VanDerWaalsContact O-N 3.16Å; T586-E589 VanDerWaalsContact OG1-CD 3.25Å; T586-E589 VanDerWaalsContact OG1-CG 3.31Å; T586-E589 WeakPolarHBondContact OG1-CG 3.49Å; T586-E589 PolarHBondContact OG1-N 3.45Å; T586-E589 PolarHBondContact OG1-OE2 3.21Å; E589-K591 VanDerWaalsContact C-N 3.32Å; E589-K591 PolarHBondContact O-N 2.97Å; E589-E592 PolarHBondContact O-N 2.96Å; E589-M593 WeakPolarHBondContact O-CG 3.45Å; E589-M593 PolarHBondContact O-N 2.96Å
590L97.6Very high93.3Very high33 Ų3356 Ų5617%0.17330%0.298CS..Hα-helixtrans-57.8-43.5175.3-70.6169.2000112.4V585 T586 M593 E594 I663 E666 I676V585-L590 HydrophobicContact CB-CD2 4.5Å; V585-L590 HydrophobicContact CB-CG 4.5Å; V585-L590 HydrophobicContact CG1-CD2 3.82Å; V585-L590 HydrophobicContact CG1-CG 3.74Å; T586-L590 PolarHBondContact O-N 3.4Å; L590-M593 HydrophobicContact CD2-CE 3.74Å; L590-M593 HydrophobicContact CG-CE 4.36Å; L590-M593 PolarHBondContact O-N 3.26Å; L590-E594 WeakPolarHBondContact O-CB 3.45Å; L590-E594 PolarHBondContact O-N 3.46Å; L590-I663 HydrophobicContact CD2-CD1 4.28Å; L590-I663 HydrophobicContact CD2-CG2 4.3Å; L590-E666 HydrophobicContact CD1-CB 3.77Å; L590-E666 HydrophobicContact CD1-CG 4.12Å; L590-E666 HydrophobicContact CD2-CB 3.96Å; L590-E666 HydrophobicContact CD2-CG 3.8Å; L590-E666 HydrophobicContact CG-CG 4.49Å; L590-I676 HydrophobicContact CD2-CD1 4.06Å; L590-I676 HydrophobicContact CD2-CG1 4.24Å
591K97.3Very high94.1Very high154 Ų15454.7 Ų54.767%0.6729%0.29SS*.Hα-helixtrans-66.3-39.5177.3-75.9176.7-172.2-175.60112.4A587 V588 E589 K595A587-K591 VanDerWaalsContact O-CG 3.24Å; A587-K591 WeakPolarHBondContact O-CG 3.36Å; A587-K591 PolarHBondContact O-N 2.95Å; V588-K591 PolarHBondContact O-N 3.22Å; E589-K591 VanDerWaalsContact C-N 3.32Å; E589-K591 PolarHBondContact O-N 2.97Å; K591-K595 VanDerWaalsContact O-CB 3.22Å; K591-K595 WeakPolarHBondContact O-CB 3.39Å; K591-K595 PolarHBondContact O-N 3.46Å
592E98Very high94.7Very high79 Ų7962.9 Ų62.937%0.36932%0.321SS..Hα-helixtrans-68.1-40.8178.1-167.560.4-160.600111V558 V588 E589 K595 I596V558-E592 HydrophobicContact CG2-CB 4.35Å; V558-E592 HydrophobicContact CG2-CG 4.15Å; V588-E592 PolarHBondContact O-N 3.01Å; E589-E592 PolarHBondContact O-N 2.96Å; E592-K595 WeakPolarHBondContact O-CB 3.36Å; E592-K595 PolarHBondContact O-N 3.32Å; E592-K595 IonicContact OE1-NZ 3.6Å; E592-K595 PolarHBondContact OE1-NZ 3.35Å; E592-K595 VanDerWaalsContact OE1-NZ 3.17Å; E592-K595 IonicContact OE2-NZ 2.78Å; E592-K595 PolarHBondContact OE2-NZ 2.93Å; E592-I596 HydrophobicContact CG-CD1 4.19Å; E592-I596 VanDerWaalsContact O-CG1 3.31Å; E592-I596 WeakPolarHBondContact O-CG1 3.21Å; E592-I596 PolarHBondContact O-N 3.4Å
593M97.7Very high95.8Very high0 Ų064.8 Ų64.80%033%0.33CS..Hα-helixtrans-61.4-50174.1-69.7-174.7-69.700112.2L555 V558 L559 V585 E589 L590 K595 I596 V597 I663 I676L555-M593 HydrophobicContact CB-SD 4.28Å; L555-M593 HydrophobicContact CD2-CE 3.99Å; L555-M593 HydrophobicContact CD2-SD 3.21Å; L555-M593 WeakPolarHBondContact CD2-SD 3.33Å; L555-M593 HydrophobicContact CG-SD 3.68Å; V558-M593 HydrophobicContact CB-CG 3.68Å; V558-M593 HydrophobicContact CB-SD 4.32Å; V558-M593 HydrophobicContact CG1-CG 3.98Å; V558-M593 HydrophobicContact CG2-CG 3.56Å; L559-M593 HydrophobicContact CD1-SD 4.39Å; L559-M593 HydrophobicContact CG-SD 4.37Å; V585-M593 HydrophobicContact CG1-CE 3.56Å; E589-M593 WeakPolarHBondContact O-CG 3.45Å; E589-M593 PolarHBondContact O-N 2.96Å; L590-M593 HydrophobicContact CD2-CE 3.74Å; L590-M593 HydrophobicContact CG-CE 4.36Å; L590-M593 PolarHBondContact O-N 3.26Å; M593-K595 PolarHBondContact O-N 3.41Å; M593-I596 PolarHBondContact O-N 2.93Å; M593-V597 VanDerWaalsContact O-CG2 3.31Å; M593-V597 WeakPolarHBondContact O-CG2 3.4Å; M593-V597 PolarHBondContact O-N 2.7Å; M593-I663 HydrophobicContact CB-CD1 4.45Å; M593-I676 HydrophobicContact CE-CD1 4.09Å
594E98.3Very high96.8Very high47 Ų4763.8 Ų63.822%0.2232%0.317CS..Hα-helixtrans-58-38.4177.3-176.5175.3118.100111.8L590 N598 F661 I663L590-E594 WeakPolarHBondContact O-CB 3.45Å; L590-E594 PolarHBondContact O-N 3.46Å; E594-N598 PolarHBondContact O-N 3.25Å; E594-N598 PolarHBondContact O-ND2 2.97Å; E594-F661 HydrophobicContact CG-CD1 4.13Å; E594-F661 HydrophobicContact CG-CE1 4.42Å; E594-I663 HydrophobicContact CB-CD1 4.08Å; E594-I663 HydrophobicContact CB-CG1 4.28Å; E594-I663 PolarHBondContact OE2-N 3.25Å
595K98.2Very high97.4Very high109 Ų10957.5 Ų57.547%0.47429%0.287SS..Hα-helixtrans-67.5-44.4176.8178.2-172.1161.3-1440112.2K591 E592 M593 V597 N598 Q599K591-K595 VanDerWaalsContact O-CB 3.22Å; K591-K595 WeakPolarHBondContact O-CB 3.39Å; K591-K595 PolarHBondContact O-N 3.46Å; E592-K595 WeakPolarHBondContact O-CB 3.36Å; E592-K595 PolarHBondContact O-N 3.32Å; E592-K595 IonicContact OE1-NZ 3.6Å; E592-K595 PolarHBondContact OE1-NZ 3.35Å; E592-K595 VanDerWaalsContact OE1-NZ 3.17Å; E592-K595 IonicContact OE2-NZ 2.78Å; E592-K595 PolarHBondContact OE2-NZ 2.93Å; M593-K595 PolarHBondContact O-N 3.41Å; K595-V597 VanDerWaalsContact C-N 3.34Å; K595-N598 PolarHBondContact O-N 3.23Å; K595-Q599 VanDerWaalsContact O-CB 3.3Å; K595-Q599 WeakPolarHBondContact O-CB 3.42Å; K595-Q599 PolarHBondContact O-N 3.31Å
596I98.3Very high97.7Very high21 Ų2161.2 Ų61.211%0.10831%0.312CS..Hα-helixtrans-59.4-47.3175.5-69.8164.1000109.9A554 V558 E592 M593 N598 Q599 K600 W642A554-I596 HydrophobicContact CB-CB 4.11Å; A554-I596 HydrophobicContact CB-CG2 3.77Å; V558-I596 HydrophobicContact CG2-CD1 3.55Å; E592-I596 HydrophobicContact CG-CD1 4.19Å; E592-I596 VanDerWaalsContact O-CG1 3.31Å; E592-I596 WeakPolarHBondContact O-CG1 3.21Å; E592-I596 PolarHBondContact O-N 3.4Å; M593-I596 PolarHBondContact O-N 2.93Å; I596-N598 PolarHBondContact O-N 2.96Å; I596-Q599 WeakPolarHBondContact O-CB 3.31Å; I596-Q599 PolarHBondContact O-N 3.47Å; I596-K600 HydrophobicContact CG2-CG 4.49Å; I596-K600 WeakPolarHBondContact O-CG 3.24Å; I596-K600 PolarHBondContact O-N 2.75Å; I596-W642 HydrophobicContact CG2-CH2 4.23Å; I596-W642 HydrophobicContact CG2-CZ2 3.9Å
597V98.6Very high97.9Very high0 Ų058.8 Ų58.80%030%0.297CS..Hα-helixtrans-59.3-50.9179.4175.80000111V550 L551 A554 M593 K595 Q599 K600 I601 F661V550-V597 HydrophobicContact CB-CG1 4.33Å; V550-V597 HydrophobicContact CG1-CB 4.09Å; V550-V597 HydrophobicContact CG1-CG1 3.76Å; V550-V597 HydrophobicContact CG1-CG2 4.08Å; L551-V597 HydrophobicContact CB-CG2 4.34Å; L551-V597 HydrophobicContact CD1-CG2 4.37Å; A554-V597 HydrophobicContact CB-CG2 3.86Å; M593-V597 VanDerWaalsContact O-CG2 3.31Å; M593-V597 WeakPolarHBondContact O-CG2 3.4Å; M593-V597 PolarHBondContact O-N 2.7Å; K595-V597 VanDerWaalsContact C-N 3.34Å; V597-Q599 VanDerWaalsContact C-N 3.31Å; V597-Q599 PolarHBondContact O-N 2.97Å; V597-K600 PolarHBondContact O-N 2.87Å; V597-I601 HydrophobicContact CG1-CD1 4.09Å; V597-I601 WeakPolarHBondContact O-CG1 3.33Å; V597-I601 PolarHBondContact O-N 2.8Å; V597-F661 HydrophobicContact CB-CD1 3.71Å; V597-F661 HydrophobicContact CB-CE1 3.9Å; V597-F661 HydrophobicContact CB-CG 4.21Å; V597-F661 HydrophobicContact CG1-CB 3.85Å; V597-F661 HydrophobicContact CG1-CD1 3.4Å; V597-F661 VanDerWaalsContact CG1-CD1 3.4Å; V597-F661 HydrophobicContact CG1-CD2 3.74Å; V597-F661 HydrophobicContact CG1-CE1 3.8Å; V597-F661 HydrophobicContact CG1-CE2 4.09Å; V597-F661 HydrophobicContact CG1-CG 3.37Å; V597-F661 HydrophobicContact CG1-CZ 4.13Å; V597-F661 HydrophobicContact CG2-CD1 4.31Å; V597-F661 HydrophobicContact CG2-CE1 3.98Å; V597-F661 HydrophobicContact CG2-CZ 4.34Å
598N98.6Very high98Very high13 Ų1359.2 Ų59.27%0.0729%0.292CS..Hα-helixtrans-64.1-35.1178-79.6-78.9000112.6E594 K595 I596 I601 W602 F661E594-N598 PolarHBondContact O-N 3.25Å; E594-N598 PolarHBondContact O-ND2 2.97Å; K595-N598 PolarHBondContact O-N 3.23Å; I596-N598 PolarHBondContact O-N 2.96Å; N598-I601 WeakPolarHBondContact O-CB 3.41Å; N598-I601 PolarHBondContact O-N 3.49Å; N598-W602 HydrophobicContact CB-CH2 4.1Å; N598-W602 HydrophobicContact CB-CZ2 3.85Å; N598-W602 PolarHBondContact O-N 3.21Å; N598-F661 PolarHBondContact ND2-O 2.81Å; N598-F661 PolarHBondContact OD1-N 3.1Å; N598-F661 PolarHBondContact OD1-O 2.89Å
599Q98.2Very high97.9Very high89 Ų8956.9 Ų56.942%0.41628%0.279SS..Hα-helixtrans-61.9-44173.9-177.4180-23.500111.4K595 I596 V597 I601 W602 E603K595-Q599 VanDerWaalsContact O-CB 3.3Å; K595-Q599 WeakPolarHBondContact O-CB 3.42Å; K595-Q599 PolarHBondContact O-N 3.31Å; I596-Q599 WeakPolarHBondContact O-CB 3.31Å; I596-Q599 PolarHBondContact O-N 3.47Å; V597-Q599 VanDerWaalsContact C-N 3.31Å; V597-Q599 PolarHBondContact O-N 2.97Å; Q599-I601 VanDerWaalsContact C-N 3.28Å; Q599-I601 PolarHBondContact O-N 3.06Å; Q599-W602 PolarHBondContact O-N 2.78Å; Q599-W602 VanDerWaalsContact O-N 3.14Å; Q599-E603 PolarHBondContact NE2-OE1 2.79Å; Q599-E603 VanDerWaalsContact NE2-OE1 3.07Å; Q599-E603 WeakPolarHBondContact O-CG 3.49Å; Q599-E603 PolarHBondContact O-N 3.19Å
600K98.3Very high97.7Very high33 Ų3357.1 Ų57.114%0.14328%0.281CS..Hα-helixtrans-67-28.8177.3-67.1-68.5166.4-161.80113.3V550 I596 V597 E603 I605 W642 T655V550-K600 HydrophobicContact CG1-CB 3.9Å; V550-K600 HydrophobicContact CG1-CG 4.45Å; I596-K600 HydrophobicContact CG2-CG 4.49Å; I596-K600 WeakPolarHBondContact O-CG 3.24Å; I596-K600 PolarHBondContact O-N 2.75Å; V597-K600 PolarHBondContact O-N 2.87Å; K600-E603 WeakPolarHBondContact CD-OE2 3.27Å; K600-E603 IonicContact NZ-OE1 2.91Å; K600-E603 IonicContact NZ-OE2 3.77Å; K600-E603 PolarHBondContact NZ-OE2 2.96Å; K600-I605 HydrophobicContact CB-CD1 4.35Å; K600-I605 HydrophobicContact CD-CD1 3.73Å; K600-W642 HydrophobicContact CB-CZ3 4.41Å; K600-W642 HydrophobicContact CD-CD2 3.9Å; K600-W642 HydrophobicContact CD-CE3 3.95Å; K600-W642 HydrophobicContact CD-CG 4.43Å; K600-W642 HydrophobicContact CD-CH2 4.43Å; K600-W642 HydrophobicContact CD-CZ2 4.39Å; K600-W642 HydrophobicContact CD-CZ3 4.23Å; K600-W642 HydrophobicContact CG-CD2 4.34Å; K600-W642 HydrophobicContact CG-CE3 4.09Å; K600-W642 HydrophobicContact CG-CH2 3.83Å; K600-W642 HydrophobicContact CG-CZ2 4.09Å; K600-W642 HydrophobicContact CG-CZ3 3.84Å; K600-T655 WeakPolarHBondContact O-CB 3.47Å; K600-T655 PolarHBondContact O-OG1 3.43Å
601I98.3Very high97.5Very high4 Ų462.8 Ų62.82%0.02131%0.307CS..Hα-helixtrans-66.3-47169.1-69.1168.9000110.5V597 N598 Q599 E603 A604 T655 I658 G659 F661V597-I601 HydrophobicContact CG1-CD1 4.09Å; V597-I601 WeakPolarHBondContact O-CG1 3.33Å; V597-I601 PolarHBondContact O-N 2.8Å; N598-I601 WeakPolarHBondContact O-CB 3.41Å; N598-I601 PolarHBondContact O-N 3.49Å; Q599-I601 VanDerWaalsContact C-N 3.28Å; Q599-I601 PolarHBondContact O-N 3.06Å; I601-E603 VanDerWaalsContact C-N 3.29Å; I601-E603 PolarHBondContact O-N 2.77Å; I601-A604 PolarHBondContact O-N 3.26Å; I601-A604 VanDerWaalsContact O-N 3.15Å; I601-T655 WeakPolarHBondContact CG2-O 3.41Å; I601-I658 HydrophobicContact CD1-CB 3.96Å; I601-I658 HydrophobicContact CD1-CD1 4.35Å; I601-I658 HydrophobicContact CD1-CG2 3.63Å; I601-I658 HydrophobicContact CG1-CB 4.13Å; I601-I658 HydrophobicContact CG1-CD1 4.04Å; I601-I658 HydrophobicContact CG1-CG2 4.33Å; I601-G659 VanDerWaalsContact CG2-O 3.29Å; I601-G659 WeakPolarHBondContact CG2-O 3.29Å; I601-F661 HydrophobicContact CD1-CB 3.68Å
602W98.3Very high97.3Very high184 Ų18456.7 Ų56.770%0.69728%0.283SS*.Hα-helixtrans-70.5-23.1-178.8-57.3-28.4000114.2N598 Q599 A604N598-W602 HydrophobicContact CB-CH2 4.1Å; N598-W602 HydrophobicContact CB-CZ2 3.85Å; N598-W602 PolarHBondContact O-N 3.21Å; Q599-W602 PolarHBondContact O-N 2.78Å; Q599-W602 VanDerWaalsContact O-N 3.14Å; W602-A604 PolarHBondContact O-N 3.32Å
603E98.1Very high96.9Very high88 Ų8855.1 Ų55.141%0.41128%0.276SS..THydrogen-bonded Turntrans-66.7-10172.4-76.5172.3-161.300112.7Q599 K600 I601 I605Q599-E603 PolarHBondContact NE2-OE1 2.79Å; Q599-E603 VanDerWaalsContact NE2-OE1 3.07Å; Q599-E603 WeakPolarHBondContact O-CG 3.49Å; Q599-E603 PolarHBondContact O-N 3.19Å; K600-E603 WeakPolarHBondContact CD-OE2 3.27Å; K600-E603 IonicContact NZ-OE1 2.91Å; K600-E603 IonicContact NZ-OE2 3.77Å; K600-E603 PolarHBondContact NZ-OE2 2.96Å; I601-E603 VanDerWaalsContact C-N 3.29Å; I601-E603 PolarHBondContact O-N 2.77Å; E603-I605 HydrophobicContact CB-CD1 3.99Å; E603-I605 HydrophobicContact CB-CG1 3.71Å; E603-I605 PolarHBondContact O-N 2.92Å
604A98Very high96.2Very high32 Ų3256.4 Ų56.426%0.26428%0.283SS..THydrogen-bonded Turntrans50.553.8176.400000112.5I601 W602 N654 E656I601-A604 PolarHBondContact O-N 3.26Å; I601-A604 VanDerWaalsContact O-N 3.15Å; W602-A604 PolarHBondContact O-N 3.32Å; A604-N654 VanDerWaalsContact C-ND2 3.31Å; A604-N654 WeakPolarHBondContact CA-OD1 3.39Å; A604-N654 PolarHBondContact O-ND2 2.98Å; A604-N654 PolarHBondContact O-OD1 2.63Å; A604-E656 HydrophobicContact CB-CB 4.08Å; A604-E656 HydrophobicContact CB-CG 4.37Å
605I98.3Very high95.4Very high17 Ų1758.6 Ų58.69%0.08730%0.297CS..  trans-81.2127.3-171.7-54.4173.5000109.2K600 E603 V607 I639 G640 N654 T655K600-I605 HydrophobicContact CB-CD1 4.35Å; K600-I605 HydrophobicContact CD-CD1 3.73Å; E603-I605 HydrophobicContact CB-CD1 3.99Å; E603-I605 HydrophobicContact CB-CG1 3.71Å; E603-I605 PolarHBondContact O-N 2.92Å; I605-V607 PolarHBondContact O-N 3.27Å; I605-I639 HydrophobicContact CB-CG2 4.27Å; I605-I639 HydrophobicContact CG2-CG2 3.95Å; I605-G640 VanDerWaalsContact CG2-N 3.34Å; I605-N654 PolarHBondContact N-OD1 2.8Å; I605-N654 WeakPolarHBondContact O-CA 3.47Å; I605-T655 HydrophobicContact CB-CG2 3.92Å; I605-T655 PolarHBondContact N-OG1 3.5Å; I605-T655 PolarHBondContact O-N 3.37Å
606P98.2Very high94.9Very high82 Ų8256.1 Ų56.153%0.53229%0.291SS..BIsolated β-bridgetrans-59.7133.1171.3-23.234.1000111.6
607V98.1Very high94.4Very high16 Ų1655.1 Ų55.110%0.09729%0.285CS..EExtended strand (participates in β ladder)trans-99.2113.2174-178.90000107.7T546 I605 V637 I639 H651 V652 A653 T655T546-V607 HydrophobicContact CG2-CG2 4.03Å; I605-V607 PolarHBondContact O-N 3.27Å; V607-V637 HydrophobicContact CG1-CG1 3.83Å; V607-I639 HydrophobicContact CG1-CG1 4.31Å; V607-I639 HydrophobicContact CG2-CG1 4.28Å; V607-H651 HydrophobicContact CG1-CB 4.16Å; V607-V652 VanDerWaalsContact CB-O 3.23Å; V607-V652 WeakPolarHBondContact CB-O 3.46Å; V607-V652 HydrophobicContact CG2-CG2 4.27Å; V607-A653 PolarHBondContact N-O 3.41Å; V607-T655 HydrophobicContact CG2-CG2 4.1Å
608V97.2Very high93.6Very high74 Ų7461.1 Ų61.145%0.44831%0.311SS..EExtended strand (participates in β ladder)trans-111.3136.3-174.6-178.50000109.3I610 N638V608-I610 HydrophobicContact CG1-CD1 4.44Å; V608-I610 HydrophobicContact CG1-CG1 4.15Å; V608-N638 PolarHBondContact N-O 3.45Å; V608-N638 PolarHBondContact O-N 3.46Å
609T94.8Very high92.8Very high64 Ų6467.3 Ų67.339%0.39334%0.344SS..EExtended strand (participates in β ladder)trans-116.4132.8178.559.60000110.3R635 V636 V637T609-R635 PolarHBondContact OG1-NH2 3.36Å; T609-V636 CarbonylContact C-O 3.59Å; T609-V636 VanDerWaalsContact CA-O 3.24Å; T609-V636 WeakPolarHBondContact CA-O 3.49Å; T609-V637 HydrophobicContact CG2-CG2 4.17Å
610I93.9Very high92.3Very high60 Ų6066.2 Ų66.231%0.30834%0.34SS..EExtended strand (participates in β ladder)trans-130.2126.8-174.4-57.3166.5000108.3V608 M620 R635 V636V608-I610 HydrophobicContact CG1-CD1 4.44Å; V608-I610 HydrophobicContact CG1-CG1 4.15Å; I610-M620 HydrophobicContact CD1-CE 3.85Å; I610-R635 WeakPolarHBondContact O-CA 3.4Å; I610-V636 PolarHBondContact N-O 2.91Å; I610-V636 PolarHBondContact O-N 3.35Å
611E93.2Very high91.6Very high152 Ų15267 Ų6771%0.7136%0.358SS*.EExtended strand (participates in β ladder)trans-89.3125.8165.9-65.6-173.9172.500108.7V634 R635E611-V634 WeakPolarHBondContact CA-O 3.48Å; E611-R635 HydrophobicContact CG-CG 4.4Å
612T93.2Very high90.9Very high27 Ų2767.3 Ų67.317%0.16636%0.361CS..EExtended strand (participates in β ladder)trans-156.7174.8-174.5-167.60000110.1T616 A617 V634 V636T612-T616 HydrophobicContact CG2-CG2 4.42Å; T612-T616 VanDerWaalsContact OG1-CB 3.29Å; T612-T616 WeakPolarHBondContact OG1-CB 3.17Å; T612-T616 VanDerWaalsContact OG1-CG2 3.23Å; T612-T616 WeakPolarHBondContact OG1-CG2 3.11Å; T612-A617 HydrophobicContact CG2-CB 4.01Å; T612-V634 HydrophobicContact CG2-CG2 4.36Å; T612-V634 PolarHBondContact N-O 3.14Å; T612-V634 WeakPolarHBondContact O-CG2 3.34Å; T612-V634 PolarHBondContact O-N 3.03Å; T612-V634 VanDerWaalsContact O-O 3.08Å; T612-V636 HydrophobicContact CG2-CG2 3.85Å
613D89.7Confident90.1Very high45 Ų4560.6 Ų60.624%0.24134%0.338CS..EExtended strand (participates in β ladder)trans-78.6154.1173.864.591.1000111.8D615 T616 A617 H632D613-D615 PolarHBondContact O-N 2.55Å; D613-D615 PolarHBondContact OD1-N 2.84Å; D613-T616 VanDerWaalsContact CG-OG1 3.26Å; D613-T616 PolarHBondContact O-N 3.1Å; D613-T616 PolarHBondContact OD1-N 3.43Å; D613-T616 PolarHBondContact OD1-OG1 2.83Å; D613-T616 VanDerWaalsContact OD1-OG1 3.14Å; D613-T616 VanDerWaalsContact OD2-CB 3.31Å; D613-T616 WeakPolarHBondContact OD2-CB 3.46Å; D613-T616 PolarHBondContact OD2-OG1 2.79Å; D613-A617 PolarHBondContact O-N 2.81Å; D613-H632 CarbonylContact C-O 3.58Å; D613-H632 WeakPolarHBondContact CA-O 3.3Å
614I82.5Confident88.8Confident27 Ų2759 Ų5914%0.13834%0.34CS..Hα-helixtrans-56.3-32.1-177.5-173.859.1000113.4K618 Y630 H632 V634 L646I614-K618 VanDerWaalsContact O-CG 3.32Å; I614-K618 WeakPolarHBondContact O-CG 3.44Å; I614-K618 PolarHBondContact O-N 3.4Å; I614-Y630 HydrophobicContact CD1-CD2 4.38Å; I614-Y630 HydrophobicContact CD1-CG 4.19Å; I614-H632 PolarHBondContact N-O 2.82Å; I614-V634 HydrophobicContact CB-CG1 4.29Å; I614-V634 HydrophobicContact CD1-CG1 4Å; I614-L646 HydrophobicContact CD1-CD1 3.7Å
615D81.6Confident87.2Confident94 Ų9459.8 Ų59.850%0.50334%0.339SS..Hα-helixtrans-77.6-42.1-178.3-67.5-31.2000111.3D613 A617 K618 N619D613-D615 PolarHBondContact O-N 2.55Å; D613-D615 PolarHBondContact OD1-N 2.84Å; D615-A617 VanDerWaalsContact C-N 3.31Å; D615-A617 PolarHBondContact O-N 2.8Å; D615-K618 PolarHBondContact O-N 3.4Å; D615-K618 IonicContact OD1-NZ 2.85Å; D615-N619 WeakPolarHBondContact O-CB 3.27Å; D615-N619 VanDerWaalsContact O-CG 3.25Å; D615-N619 PolarHBondContact O-N 2.91Å; D615-N619 PolarHBondContact O-ND2 2.8Å
616T87.3Confident85Confident57 Ų5764.5 Ų64.535%0.3536%0.359SS..Hα-helixtrans-58.4-44.2169.4-63.20000110.8T612 D613 K618 N619 M620T612-T616 HydrophobicContact CG2-CG2 4.42Å; T612-T616 VanDerWaalsContact OG1-CB 3.29Å; T612-T616 WeakPolarHBondContact OG1-CB 3.17Å; T612-T616 VanDerWaalsContact OG1-CG2 3.23Å; T612-T616 WeakPolarHBondContact OG1-CG2 3.11Å; D613-T616 VanDerWaalsContact CG-OG1 3.26Å; D613-T616 PolarHBondContact O-N 3.1Å; D613-T616 PolarHBondContact OD1-N 3.43Å; D613-T616 PolarHBondContact OD1-OG1 2.83Å; D613-T616 VanDerWaalsContact OD1-OG1 3.14Å; D613-T616 VanDerWaalsContact OD2-CB 3.31Å; D613-T616 WeakPolarHBondContact OD2-CB 3.46Å; D613-T616 PolarHBondContact OD2-OG1 2.79Å; T616-K618 PolarHBondContact O-N 2.84Å; T616-N619 PolarHBondContact O-N 2.78Å; T616-M620 HydrophobicContact CG2-SD 4.27Å; T616-M620 VanDerWaalsContact O-CG 3.29Å; T616-M620 WeakPolarHBondContact O-CG 3.32Å; T616-M620 PolarHBondContact O-N 3.28Å
617A87.2Confident82.6Confident0 Ų061.9 Ų61.90%035%0.348CS..Hα-helixtrans-60.6-45.8176.900000112.7T612 D613 D615 N619 M620 G621 A622 V634 V636 L646T612-A617 HydrophobicContact CG2-CB 4.01Å; D613-A617 PolarHBondContact O-N 2.81Å; D615-A617 VanDerWaalsContact C-N 3.31Å; D615-A617 PolarHBondContact O-N 2.8Å; A617-N619 VanDerWaalsContact C-N 3.33Å; A617-N619 PolarHBondContact O-N 2.9Å; A617-M620 WeakPolarHBondContact O-CB 3.5Å; A617-M620 PolarHBondContact O-N 2.87Å; A617-G621 PolarHBondContact O-N 2.81Å; A617-A622 HydrophobicContact CB-CB 4.12Å; A617-A622 WeakPolarHBondContact O-CB 3.33Å; A617-A622 PolarHBondContact O-N 3.32Å; A617-V634 HydrophobicContact CB-CG2 3.75Å; A617-V636 HydrophobicContact CB-CG2 3.61Å; A617-L646 HydrophobicContact CB-CD2 3.81Å
618K82.8Confident80.5Confident125 Ų12566.3 Ų66.354%0.54337%0.367SS..Hα-helixtrans-59.4-42.9174.3-75.4170.5-176.51660111.9I614 D615 T616 M620 G621I614-K618 VanDerWaalsContact O-CG 3.32Å; I614-K618 WeakPolarHBondContact O-CG 3.44Å; I614-K618 PolarHBondContact O-N 3.4Å; D615-K618 PolarHBondContact O-N 3.4Å; D615-K618 IonicContact OD1-NZ 2.85Å; T616-K618 PolarHBondContact O-N 2.84Å; K618-M620 PolarHBondContact O-N 3.49Å; K618-G621 WeakPolarHBondContact O-CA 3.33Å; K618-G621 PolarHBondContact O-N 2.97Å
619N82.1Confident78.3Confident143 Ų14369.6 Ų69.677%0.76538%0.375SS*.Hα-helixtrans-65.1-27.3178-72.7-35.5000113.1D615 T616 A617 G621D615-N619 WeakPolarHBondContact O-CB 3.27Å; D615-N619 VanDerWaalsContact O-CG 3.25Å; D615-N619 PolarHBondContact O-N 2.91Å; D615-N619 PolarHBondContact O-ND2 2.8Å; T616-N619 PolarHBondContact O-N 2.78Å; A617-N619 VanDerWaalsContact C-N 3.33Å; A617-N619 PolarHBondContact O-N 2.9Å; N619-G621 PolarHBondContact O-N 2.99Å
620M86.5Confident76.9Confident66 Ų6669.9 Ų69.933%0.32537%0.37SS..THydrogen-bonded Turntrans-73.9-7.3171.4-66.2173.368.200113.1I610 T616 A617 K618 I644I610-M620 HydrophobicContact CD1-CE 3.85Å; T616-M620 HydrophobicContact CG2-SD 4.27Å; T616-M620 VanDerWaalsContact O-CG 3.29Å; T616-M620 WeakPolarHBondContact O-CG 3.32Å; T616-M620 PolarHBondContact O-N 3.28Å; A617-M620 WeakPolarHBondContact O-CB 3.5Å; A617-M620 PolarHBondContact O-N 2.87Å; K618-M620 PolarHBondContact O-N 3.49Å; M620-I644 VanDerWaalsContact O-CD1 3.27Å; M620-I644 WeakPolarHBondContact O-CD1 3.18Å
621G84.3Confident75.9Confident50 Ų5069.4 Ų69.452%0.51538%0.38SS..THydrogen-bonded Turntrans78.921.7-172.300000113.2A617 K618 N619 M623A617-G621 PolarHBondContact O-N 2.81Å; K618-G621 WeakPolarHBondContact O-CA 3.33Å; K618-G621 PolarHBondContact O-N 2.97Å; N619-G621 PolarHBondContact O-N 2.99Å; G621-M623 PolarHBondContact O-N 3.28Å
622A83.6Confident75.2Confident11 Ų1168.3 Ų68.39%0.09138%0.375CS..PPolyproline II helixtrans-63.6122.4176.300000110.4A617 A624 V636 I644 L646A617-A622 HydrophobicContact CB-CB 4.12Å; A617-A622 WeakPolarHBondContact O-CB 3.33Å; A617-A622 PolarHBondContact O-N 3.32Å; A622-A624 PolarHBondContact O-N 3.45Å; A622-V636 HydrophobicContact CB-CG1 4.16Å; A622-V636 HydrophobicContact CB-CG2 4.39Å; A622-I644 CarbonylContact C-O 3.51Å; A622-I644 WeakPolarHBondContact CA-O 3.29Å; A622-I644 HydrophobicContact CB-CG2 3.75Å; A622-L646 HydrophobicContact CB-CD2 4.15Å; A622-L646 HydrophobicContact CB-CG 4.44Å
623M82.3Confident74.8Confident42 Ų4273.2 Ų73.221%0.20740%0.4CS..BIsolated β-bridgetrans-72.2125.1172.8-61.2-176.9-62.900108.8K553 K556 G621 I644 E645 L646K553-M623 HydrophobicContact CD-CE 4.23Å; K556-M623 HydrophobicContact CD-SD 3.78Å; G621-M623 PolarHBondContact O-N 3.28Å; M623-I644 PolarHBondContact N-O 2.99Å; M623-E645 HydrophobicContact CB-CG 4.08Å; M623-E645 HydrophobicContact CE-CG 3.45Å; M623-E645 VanDerWaalsContact CE-CG 3.45Å; M623-E645 WeakPolarHBondContact O-CA 3.24Å; M623-L646 PolarHBondContact O-N 3.06Å
624A70.7Confident74.9Confident55 Ų5571.6 Ų71.646%0.45539%0.391SS..PPolyproline II helixtrans-93.2152.3170.300000109.8A622 F626 Y630 L646A622-A624 PolarHBondContact O-N 3.45Å; A624-F626 PolarHBondContact O-N 2.9Å; A624-Y630 HydrophobicContact CB-CD2 4.4Å; A624-Y630 HydrophobicContact CB-CE2 3.67Å; A624-L646 HydrophobicContact CB-CD1 3.88Å
625L63Low75.4Confident48 Ų4871.7 Ų71.725%0.25139%0.39SS..PPolyproline II helixtrans-62.5132.7167.1-69.2170.2000108.8Q565 G627 E628 Y630Q565-L625 HydrophobicContact CB-CD2 3.8Å; Q565-L625 HydrophobicContact CG-CD2 3.91Å; Q565-L625 VanDerWaalsContact NE2-CD2 3.31Å; L625-G627 PolarHBondContact O-N 3.14Å; L625-E628 HydrophobicContact CB-CB 3.86Å; L625-E628 HydrophobicContact CB-CG 3.6Å; L625-E628 HydrophobicContact CD1-CG 3.89Å; L625-E628 HydrophobicContact CG-CG 4.39Å; L625-E628 PolarHBondContact O-N 2.74Å; L625-Y630 WeakPolarHBondContact CB-OH 3.4Å; L625-Y630 WeakPolarHBondContact CG-OH 3.49Å; L625-Y630 PolarHBondContact N-OH 3.28Å
626F52.4Low76Confident116 Ų11667.2 Ų67.251%0.50937%0.366SS..THydrogen-bonded Turntrans-64.1119.4179.3-171-93.4000109.8N564 A624N564-F626 HydrophobicContact CB-CB 4.45Å; A624-F626 PolarHBondContact O-N 2.9Å
627G48.3Very low76.4Confident28 Ų2864.5 Ų64.529%0.28935%0.35SS..THydrogen-bonded Turntrans86.2-1.1179.400000116.3V11 N12 L625V11-G627 WeakPolarHBondContact CG1-O 3.47Å; N12-G627 PolarHBondContact ND2-O 2.9Å; L625-G627 PolarHBondContact O-N 3.14Å
628E53.1Low76.9Confident109 Ų10965.2 Ų65.251%0.50935%0.353SS..PPolyproline II helixtrans-81.1141.1174.9-81-72-177.200112.2L625 Y630L625-E628 HydrophobicContact CB-CB 3.86Å; L625-E628 HydrophobicContact CB-CG 3.6Å; L625-E628 HydrophobicContact CD1-CG 3.89Å; L625-E628 HydrophobicContact CG-CG 4.39Å; L625-E628 PolarHBondContact O-N 2.74Å; E628-Y630 HydrophobicContact CB-CD2 4.44Å; E628-Y630 HydrophobicContact CB-CE2 3.73Å
629K51.4Low77.6Confident142 Ų14259.3 Ų59.362%0.61733%0.328SS*.PPolyproline II helixtrans-95.4117.1171-81-175.7-177.7178.70108.9
630Y66.6Low78.1Confident70 Ų7054.6 Ų54.628%0.27531%0.313SS..PPolyproline II helixtrans-92.6145.7174.1-64.2-87.7000110.3I614 A624 L625 E628 V634 L646I614-Y630 HydrophobicContact CD1-CD2 4.38Å; I614-Y630 HydrophobicContact CD1-CG 4.19Å; A624-Y630 HydrophobicContact CB-CD2 4.4Å; A624-Y630 HydrophobicContact CB-CE2 3.67Å; L625-Y630 WeakPolarHBondContact CB-OH 3.4Å; L625-Y630 WeakPolarHBondContact CG-OH 3.49Å; L625-Y630 PolarHBondContact N-OH 3.28Å; E628-Y630 HydrophobicContact CB-CD2 4.44Å; E628-Y630 HydrophobicContact CB-CE2 3.73Å; Y630-V634 HydrophobicContact CD1-CG1 4.08Å; Y630-V634 HydrophobicContact CG-CG1 4.2Å; Y630-L646 HydrophobicContact CD1-CB 4.23Å; Y630-L646 HydrophobicContact CD1-CD1 3.64Å; Y630-L646 HydrophobicContact CD2-CD1 3.77Å; Y630-L646 HydrophobicContact CE1-CB 3.52Å; Y630-L646 HydrophobicContact CE1-CD1 3.56Å; Y630-L646 HydrophobicContact CE1-CG 4.18Å; Y630-L646 HydrophobicContact CE2-CD1 3.72Å; Y630-L646 HydrophobicContact CG-CD1 3.72Å
631G71.5Confident78.4Confident50 Ų5057.5 Ų57.552%0.51533%0.33SS..  trans-66.3175.4167.600000111.6D633 V634G631-D633 VanDerWaalsContact C-N 3.33Å; G631-V634 WeakPolarHBondContact O-CG1 3.38Å
632H78.2Confident78.9Confident130 Ų13057 Ų5760%0.60231%0.312SS*.SBendtrans-55.3-51.6172173.4-86.2000110.5D613 I614D613-H632 CarbonylContact C-O 3.58Å; D613-H632 WeakPolarHBondContact CA-O 3.3Å; I614-H632 PolarHBondContact N-O 2.82Å
633D85.8Confident79.4Confident129 Ų12956.5 Ų56.569%0.6931%0.308SS*.EExtended strand (participates in β ladder)trans-86.2126.3177.5-55.9-38.7000110.2G631G631-D633 VanDerWaalsContact C-N 3.33Å
634V90.8Very high80.1Confident11 Ų1155.4 Ų55.47%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-130.5158.4-180-63.20000111.3E611 T612 I614 A617 Y630 G631 L646E611-V634 WeakPolarHBondContact CA-O 3.48Å; T612-V634 HydrophobicContact CG2-CG2 4.36Å; T612-V634 PolarHBondContact N-O 3.14Å; T612-V634 WeakPolarHBondContact O-CG2 3.34Å; T612-V634 PolarHBondContact O-N 3.03Å; T612-V634 VanDerWaalsContact O-O 3.08Å; I614-V634 HydrophobicContact CB-CG1 4.29Å; I614-V634 HydrophobicContact CD1-CG1 4Å; A617-V634 HydrophobicContact CB-CG2 3.75Å; Y630-V634 HydrophobicContact CD1-CG1 4.08Å; Y630-V634 HydrophobicContact CG-CG1 4.2Å; G631-V634 WeakPolarHBondContact O-CG1 3.38Å; V634-L646 HydrophobicContact CB-CD2 4.02Å; V634-L646 HydrophobicContact CG2-CD2 3.75Å
635R93.2Very high81.2Confident29 Ų2953.2 Ų53.211%0.10928%0.283CS..EExtended strand (participates in β ladder)trans-109.4123.1174-170.7171.7177.7-87.89.6110T609 I610 E611 L646 C647 G649T609-R635 PolarHBondContact OG1-NH2 3.36Å; I610-R635 WeakPolarHBondContact O-CA 3.4Å; E611-R635 HydrophobicContact CG-CG 4.4Å; R635-L646 CarbonylContact O-C 3.55Å; R635-L646 WeakPolarHBondContact O-CA 2.85Å; R635-C647 PolarHBondContact NH1-O 3.27Å; R635-C647 PolarHBondContact O-N 3.04Å; R635-G649 PolarHBondContact NH1-O 2.74Å
636V94.7Very high82.6Confident0 Ų051.5 Ų51.50%028%0.275CS..EExtended strand (participates in β ladder)trans-102133.5178.2-1770000109T609 I610 T612 A617 A622 I644 E645 L646T609-V636 CarbonylContact C-O 3.59Å; T609-V636 VanDerWaalsContact CA-O 3.24Å; T609-V636 WeakPolarHBondContact CA-O 3.49Å; I610-V636 PolarHBondContact N-O 2.91Å; I610-V636 PolarHBondContact O-N 3.35Å; T612-V636 HydrophobicContact CG2-CG2 3.85Å; A617-V636 HydrophobicContact CB-CG2 3.61Å; A622-V636 HydrophobicContact CB-CG1 4.16Å; A622-V636 HydrophobicContact CB-CG2 4.39Å; V636-I644 HydrophobicContact CG1-CG2 3.46Å; V636-I644 VanDerWaalsContact CG1-CG2 3.46Å; V636-E645 CarbonylContact C-O 3.44Å; V636-E645 WeakPolarHBondContact CA-O 3.4Å; V636-L646 HydrophobicContact CG2-CD2 3.79Å
637V96.4Very high84.5Confident1 Ų146.9 Ų46.91%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-105.6120.1168.1-178.80000107.8V607 T609 I639 I644 E645 C647 H651V607-V637 HydrophobicContact CG1-CG1 3.83Å; T609-V637 HydrophobicContact CG2-CG2 4.17Å; V637-I639 HydrophobicContact CG1-CG1 4.4Å; V637-I644 WeakPolarHBondContact O-CA 3.42Å; V637-E645 PolarHBondContact N-O 3.25Å; V637-E645 PolarHBondContact O-N 3.06Å; V637-C647 HydrophobicContact CG2-CB 3.74Å; V637-H651 VanDerWaalsContact CG2-CD2 3.49Å; V637-H651 WeakPolarHBondContact CG2-CD2 3.47Å; V637-H651 WeakPolarHBondContact CG2-NE2 3.31Å
638N97.1Very high86.5Confident15 Ų1546.9 Ų46.98%0.0826%0.256CS..EExtended strand (participates in β ladder)trans-115.8121.9-179.8-178-21.4000109.9V608 G640 D641 S643V608-N638 PolarHBondContact N-O 3.45Å; V608-N638 PolarHBondContact O-N 3.46Å; N638-G640 PolarHBondContact OD1-N 3.49Å; N638-D641 PolarHBondContact ND2-OD1 3.16Å; N638-D641 WeakPolarHBondContact OD1-CA 3.31Å; N638-D641 PolarHBondContact OD1-N 3.32Å; N638-S643 WeakPolarHBondContact CA-O 3.2Å
639I97.3Very high88.5Confident1 Ų141.7 Ų41.71%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-111.286.4175.8-50.3179.3000107.6T546 H549 V550 I605 V607 V637 D641 W642 S643 T655T546-I639 HydrophobicContact CG2-CD1 3.82Å; H549-I639 HydrophobicContact CB-CD1 4.08Å; V550-I639 HydrophobicContact CG2-CD1 3.8Å; I605-I639 HydrophobicContact CB-CG2 4.27Å; I605-I639 HydrophobicContact CG2-CG2 3.95Å; V607-I639 HydrophobicContact CG1-CG1 4.31Å; V607-I639 HydrophobicContact CG2-CG1 4.28Å; V637-I639 HydrophobicContact CG1-CG1 4.4Å; I639-D641 VanDerWaalsContact C-N 3.34Å; I639-D641 PolarHBondContact O-N 2.97Å; I639-W642 WeakPolarHBondContact O-CB 3.42Å; I639-W642 PolarHBondContact O-N 3.16Å; I639-S643 PolarHBondContact N-O 3Å; I639-S643 PolarHBondContact O-N 3.06Å; I639-T655 HydrophobicContact CG2-CG2 3.43Å; I639-T655 VanDerWaalsContact CG2-CG2 3.43Å
640G93.2Very high90.7Very high44 Ų4435.2 Ų35.245%0.45420%0.204SC..THydrogen-bonded Turntrans59.435.4173.300000115.6I605 N638 W642I605-G640 VanDerWaalsContact CG2-N 3.34Å; N638-G640 PolarHBondContact OD1-N 3.49Å; G640-W642 PolarHBondContact O-N 3.44Å
641D91.8Very high92.2Very high127 Ų12733.1 Ų33.168%0.67920%0.197SC*.THydrogen-bonded Turntrans56.212.3-173.6-57.3-39.2000114.1N638 I639N638-D641 PolarHBondContact ND2-OD1 3.16Å; N638-D641 WeakPolarHBondContact OD1-CA 3.31Å; N638-D641 PolarHBondContact OD1-N 3.32Å; I639-D641 VanDerWaalsContact C-N 3.34Å; I639-D641 PolarHBondContact O-N 2.97Å
642W94.9Very high93.5Very high38 Ų3831 Ų3114%0.14417%0.174CC..THydrogen-bonded Turntrans-98-48.1-178.2174.472.6000111.4V550 K553 E557 I596 K600 I639 G640V550-W642 HydrophobicContact CB-CZ3 4.33Å; V550-W642 HydrophobicContact CG1-CH2 4.03Å; V550-W642 HydrophobicContact CG1-CZ3 3.79Å; V550-W642 WeakPolarHBondContact O-CH2 3.49Å; K553-W642 HydrophobicContact CB-CE3 4.33Å; K553-W642 HydrophobicContact CB-CH2 3.58Å; K553-W642 HydrophobicContact CB-CZ2 3.92Å; K553-W642 HydrophobicContact CB-CZ3 3.79Å; K553-W642 WeakPolarHBondContact CD-O 3.19Å; K553-W642 WeakPolarHBondContact CE-O 3.37Å; K553-W642 HydrophobicContact CG-CD2 3.82Å; K553-W642 VanDerWaalsContact CG-CE2 3.48Å; K553-W642 HydrophobicContact CG-CE3 3.99Å; K553-W642 HydrophobicContact CG-CH2 3.58Å; K553-W642 HydrophobicContact CG-CZ2 3.38Å; K553-W642 HydrophobicContact CG-CZ3 3.86Å; E557-W642 PolarHBondContact OE1-NE1 3.12Å; I596-W642 HydrophobicContact CG2-CH2 4.23Å; I596-W642 HydrophobicContact CG2-CZ2 3.9Å; K600-W642 HydrophobicContact CB-CZ3 4.41Å; K600-W642 HydrophobicContact CD-CD2 3.9Å; K600-W642 HydrophobicContact CD-CE3 3.95Å; K600-W642 HydrophobicContact CD-CG 4.43Å; K600-W642 HydrophobicContact CD-CH2 4.43Å; K600-W642 HydrophobicContact CD-CZ2 4.39Å; K600-W642 HydrophobicContact CD-CZ3 4.23Å; K600-W642 HydrophobicContact CG-CD2 4.34Å; K600-W642 HydrophobicContact CG-CE3 4.09Å; K600-W642 HydrophobicContact CG-CH2 3.83Å; K600-W642 HydrophobicContact CG-CZ2 4.09Å; K600-W642 HydrophobicContact CG-CZ3 3.84Å; I639-W642 WeakPolarHBondContact O-CB 3.42Å; I639-W642 PolarHBondContact O-N 3.16Å; G640-W642 PolarHBondContact O-N 3.44Å
643S95.8Very high94.4Very high1 Ų128.3 Ų28.31%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-114.2123.2164.1-169.70000109.8N638 I639 E645N638-S643 WeakPolarHBondContact CA-O 3.2Å; I639-S643 PolarHBondContact N-O 3Å; I639-S643 PolarHBondContact O-N 3.06Å; S643-E645 PolarHBondContact OG-OE1 3.24Å
644I95.5Very high95Very high20 Ų2023.4 Ų23.410%0.10315%0.148CC..EExtended strand (participates in β ladder)trans-127.9113.8177.2-50.7176.8000105.3M620 A622 M623 V636 V637M620-I644 VanDerWaalsContact O-CD1 3.27Å; M620-I644 WeakPolarHBondContact O-CD1 3.18Å; A622-I644 CarbonylContact C-O 3.51Å; A622-I644 WeakPolarHBondContact CA-O 3.29Å; A622-I644 HydrophobicContact CB-CG2 3.75Å; M623-I644 PolarHBondContact N-O 2.99Å; V636-I644 HydrophobicContact CG1-CG2 3.46Å; V636-I644 VanDerWaalsContact CG1-CG2 3.46Å; V637-I644 WeakPolarHBondContact O-CA 3.42Å
645E94.1Very high95.4Very high8 Ų822.9 Ų22.94%0.03715%0.145CC..EExtended strand (participates in β ladder)trans-137144.2-171.5-75.7-179.3-115.100111.4H549 H552 M623 V636 V637 S643 C647H549-E645 WeakPolarHBondContact CA-OE1 3.49Å; H549-E645 WeakPolarHBondContact CB-OE1 3.39Å; H549-E645 IonicContact CE1-OE2 3.76Å; H549-E645 IonicContact CG-OE1 2.74Å; H549-E645 IonicContact CG-OE2 3.97Å; H549-E645 IonicContact ND1-OE1 2.72Å; H549-E645 PolarHBondContact ND1-OE1 3.01Å; H549-E645 IonicContact ND1-OE2 2.83Å; H549-E645 PolarHBondContact ND1-OE2 3.35Å; H552-E645 IonicContact CE1-OE2 3.58Å; H552-E645 IonicContact ND1-OE1 3.9Å; H552-E645 IonicContact ND1-OE2 3.7Å; H552-E645 PolarHBondContact ND1-OE2 2.99Å; M623-E645 HydrophobicContact CB-CG 4.08Å; M623-E645 HydrophobicContact CE-CG 3.45Å; M623-E645 VanDerWaalsContact CE-CG 3.45Å; M623-E645 WeakPolarHBondContact O-CA 3.24Å; V636-E645 CarbonylContact C-O 3.44Å; V636-E645 WeakPolarHBondContact CA-O 3.4Å; V637-E645 PolarHBondContact N-O 3.25Å; V637-E645 PolarHBondContact O-N 3.06Å; S643-E645 PolarHBondContact OG-OE1 3.24Å; E645-C647 PolarHBondContact O-N 3.03Å
646L91.8Very high95.6Very high13 Ų1326.9 Ų26.97%0.06817%0.165CC..EExtended strand (participates in β ladder)trans-74.8116.9169.3-62.6-176.5000109.7I614 A617 A622 M623 A624 Y630 V634 R635 V636I614-L646 HydrophobicContact CD1-CD1 3.7Å; A617-L646 HydrophobicContact CB-CD2 3.81Å; A622-L646 HydrophobicContact CB-CD2 4.15Å; A622-L646 HydrophobicContact CB-CG 4.44Å; M623-L646 PolarHBondContact O-N 3.06Å; A624-L646 HydrophobicContact CB-CD1 3.88Å; Y630-L646 HydrophobicContact CD1-CB 4.23Å; Y630-L646 HydrophobicContact CD1-CD1 3.64Å; Y630-L646 HydrophobicContact CD2-CD1 3.77Å; Y630-L646 HydrophobicContact CE1-CB 3.52Å; Y630-L646 HydrophobicContact CE1-CD1 3.56Å; Y630-L646 HydrophobicContact CE1-CG 4.18Å; Y630-L646 HydrophobicContact CE2-CD1 3.72Å; Y630-L646 HydrophobicContact CG-CD1 3.72Å; V634-L646 HydrophobicContact CB-CD2 4.02Å; V634-L646 HydrophobicContact CG2-CD2 3.75Å; R635-L646 CarbonylContact O-C 3.55Å; R635-L646 WeakPolarHBondContact O-CA 2.85Å; V636-L646 HydrophobicContact CG2-CD2 3.79Å
647C92.9Very high95.8Very high19 Ų1930.3 Ų30.313%0.12818%0.183CC..  trans-154.3124.9-179.5-171.10000112.9H545 H549 R635 V637 E645 G649 H651H545-C647 PolarHBondContact NE2-SG 2.74Å; H545-C647 VanDerWaalsContact NE2-SG 3.43Å; H549-C647 PolarHBondContact NE2-SG 2.83Å; H549-C647 VanDerWaalsContact NE2-SG 3.4Å; R635-C647 PolarHBondContact NH1-O 3.27Å; R635-C647 PolarHBondContact O-N 3.04Å; V637-C647 HydrophobicContact CG2-CB 3.74Å; E645-C647 PolarHBondContact O-N 3.03Å; C647-G649 PolarHBondContact O-N 3.25Å; C647-G649 PolarHBondContact SG-N 2.9Å; C647-H651 PolarHBondContact SG-NE2 3.16Å; C647-H651 VanDerWaalsContact SG-NE2 3.43Å
648G91.6Very high95.9Very high28 Ų2830.2 Ų30.229%0.28918%0.183SC..  trans-82.814.5169.600000113.2Y441 Y478 M481Y441-G648 PolarHBondContact OH-O 3.27Å; Y478-G648 WeakPolarHBondContact CE2-O 3.43Å; Y478-G648 PolarHBondContact OH-O 3.21Å; M481-G648 WeakPolarHBondContact CE-O 3.5Å
649G94.8Very high95.9Very high0 Ų030.9 Ų30.90%019%0.193CC..SBendtrans-77.9164.7-176.200000115Y441 Y478 H545 R635 C647 H651Y441-G649 WeakPolarHBondContact CE1-O 3.46Å; Y478-G649 WeakPolarHBondContact OH-CA 3.29Å; H545-G649 WeakPolarHBondContact CE1-CA 3.43Å; R635-G649 PolarHBondContact NH1-O 2.74Å; C647-G649 PolarHBondContact O-N 3.25Å; C647-G649 PolarHBondContact SG-N 2.9Å; G649-H651 PolarHBondContact O-CD2 3.28Å; G649-H651 PolarHBondContact O-NE2 3.11Å
650T97.7Very high95.9Very high5 Ų533.9 Ų33.93%0.03121%0.209CC..  trans-90.4137.4164.1560000110.2F438 Y441 Y478 Q484 I542 H545F438-T650 HydrophobicContact CZ-CG2 4.27Å; Y441-T650 HydrophobicContact CD1-CG2 4.07Å; Y441-T650 HydrophobicContact CE1-CG2 4.31Å; Y478-T650 HydrophobicContact CD2-CG2 3.85Å; Y478-T650 HydrophobicContact CE2-CG2 4.32Å; Y478-T650 HydrophobicContact CG-CG2 4.48Å; Q484-T650 PolarHBondContact NE2-OG1 2.8Å; Q484-T650 PolarHBondContact OE1-O 3.4Å; Q484-T650 PolarHBondContact OE1-OG1 2.99Å; I542-T650 VanDerWaalsContact CG2-OG1 3.29Å; I542-T650 WeakPolarHBondContact CG2-OG1 3.42Å; H545-T650 PolarHBondContact ND1-O 2.86Å
651H97.9Very high96.1Very high26 Ų2631.8 Ų31.812%0.1219%0.187CC..  trans-133.8158.3-170.4-65.2-68.4000111.6H545 T546 H549 V607 V637 C647 G649H545-H651 AromaticContact CD2-CE1 3.48Å; H545-H651 PolarHBondContact CD2-CE1 2.81Å; H545-H651 VanDerWaalsContact CD2-CE1 3.48Å; H545-H651 AromaticContact CE1-CE1 3.84Å; H545-H651 AromaticContact CG-CE1 3.51Å; H545-H651 AromaticContact CG-ND1 3.91Å; H545-H651 AromaticContact ND1-CE1 3.71Å; H545-H651 AromaticContact NE2-CE1 3.7Å; T546-H651 WeakPolarHBondContact OG1-CA 3.37Å; T546-H651 VanDerWaalsContact OG1-CB 3.29Å; T546-H651 WeakPolarHBondContact OG1-CB 3.38Å; T546-H651 PolarHBondContact OG1-ND1 2.95Å; H549-H651 AromaticContact CD2-CE1 3.36Å; H549-H651 PolarHBondContact CD2-CE1 3.45Å; H549-H651 AromaticContact CD2-ND1 3.84Å; H549-H651 AromaticContact NE2-CE1 3.18Å; H549-H651 PolarHBondContact NE2-CE1 2.9Å; H549-H651 AromaticContact NE2-NE2 3.85Å; V607-H651 HydrophobicContact CG1-CB 4.16Å; V637-H651 VanDerWaalsContact CG2-CD2 3.49Å; V637-H651 WeakPolarHBondContact CG2-CD2 3.47Å; V637-H651 WeakPolarHBondContact CG2-NE2 3.31Å; C647-H651 PolarHBondContact SG-NE2 3.16Å; C647-H651 VanDerWaalsContact SG-NE2 3.43Å; G649-H651 PolarHBondContact O-CD2 3.28Å; G649-H651 PolarHBondContact O-NE2 3.11Å
652V98Very high96.5Very high5 Ų526.5 Ų26.53%0.0316%0.158CC..  trans-64.7158.2166.9-63.50000110.8I542 K543 T546 V607 N654 D657 I658I542-V652 HydrophobicContact CB-CG1 4.4Å; I542-V652 HydrophobicContact CD1-CG1 4.06Å; I542-V652 HydrophobicContact CG1-CG1 3.82Å; K543-V652 HydrophobicContact CG-CG1 3.92Å; T546-V652 HydrophobicContact CG2-CG2 3.72Å; T546-V652 WeakPolarHBondContact OG1-CG2 3.49Å; T546-V652 PolarHBondContact OG1-N 3.28Å; V607-V652 VanDerWaalsContact CB-O 3.23Å; V607-V652 WeakPolarHBondContact CB-O 3.46Å; V607-V652 HydrophobicContact CG2-CG2 4.27Å; V652-N654 WeakPolarHBondContact CG2-O 3.49Å; V652-D657 HydrophobicContact CB-CB 3.81Å; V652-D657 HydrophobicContact CG1-CB 3.82Å; V652-D657 HydrophobicContact CG2-CB 4.4Å; V652-I658 HydrophobicContact CG2-CG1 4.08Å
653A97.2Very high96.6Very high75 Ų7525.6 Ų25.662%0.6216%0.156SC*.SBendtrans-81.4-27.2177.600000112.5V607V607-A653 PolarHBondContact N-O 3.41Å
654N98.5Very high96.6Very high26 Ų2629.3 Ų29.314%0.13918%0.179CC..BIsolated β-bridgetrans-139.5145.2176.7-167.5-69.4000110.4A604 I605 V652 E656 D657A604-N654 VanDerWaalsContact C-ND2 3.31Å; A604-N654 WeakPolarHBondContact CA-OD1 3.39Å; A604-N654 PolarHBondContact O-ND2 2.98Å; A604-N654 PolarHBondContact O-OD1 2.63Å; I605-N654 PolarHBondContact N-OD1 2.8Å; I605-N654 WeakPolarHBondContact O-CA 3.47Å; V652-N654 WeakPolarHBondContact CG2-O 3.49Å; N654-E656 HydrophobicContact CB-CG 4.19Å; N654-E656 PolarHBondContact O-N 3Å; N654-E656 VanDerWaalsContact O-N 3.17Å; N654-E656 VanDerWaalsContact OD1-CG 3.32Å; N654-E656 WeakPolarHBondContact OD1-CG 3.45Å; N654-E656 PolarHBondContact OD1-N 2.73Å; N654-D657 PolarHBondContact N-OD2 2.93Å; N654-D657 VanDerWaalsContact O-CB 3.31Å; N654-D657 WeakPolarHBondContact O-CB 3.42Å; N654-D657 PolarHBondContact O-N 2.85Å
655T98.5Very high96.6Very high0 Ų030.5 Ų30.50%019%0.189CC..G310 helixtrans-59.9-26.6179.357.70000113.2K600 I601 I605 V607 I639 D657 I658K600-T655 WeakPolarHBondContact O-CB 3.47Å; K600-T655 PolarHBondContact O-OG1 3.43Å; I601-T655 WeakPolarHBondContact CG2-O 3.41Å; I605-T655 HydrophobicContact CB-CG2 3.92Å; I605-T655 PolarHBondContact N-OG1 3.5Å; I605-T655 PolarHBondContact O-N 3.37Å; V607-T655 HydrophobicContact CG2-CG2 4.1Å; I639-T655 HydrophobicContact CG2-CG2 3.43Å; I639-T655 VanDerWaalsContact CG2-CG2 3.43Å; T655-D657 PolarHBondContact O-N 3.44Å; T655-I658 WeakPolarHBondContact O-CB 3.43Å; T655-I658 WeakPolarHBondContact O-CG1 3.5Å; T655-I658 PolarHBondContact O-N 2.9Å
656E98.2Very high96.7Very high113 Ų11331.6 Ų31.653%0.52819%0.194SC..G310 helixtrans-63.4-26.6176.676.2-172.9143.300113A604 N654 I658 G659A604-E656 HydrophobicContact CB-CB 4.08Å; A604-E656 HydrophobicContact CB-CG 4.37Å; N654-E656 HydrophobicContact CB-CG 4.19Å; N654-E656 PolarHBondContact O-N 3Å; N654-E656 VanDerWaalsContact O-N 3.17Å; N654-E656 VanDerWaalsContact OD1-CG 3.32Å; N654-E656 WeakPolarHBondContact OD1-CG 3.45Å; N654-E656 PolarHBondContact OD1-N 2.73Å; E656-I658 PolarHBondContact O-N 2.85Å; E656-G659 PolarHBondContact O-N 2.88Å; E656-G659 VanDerWaalsContact O-N 3.08Å
657D98.1Very high96.4Very high71 Ų7133.3 Ų33.338%0.3821%0.207SC..G310 helixtrans-65.8-21.2179.4-67.2-40000112.5K543 V652 N654 T655 G659K543-D657 WeakPolarHBondContact CE-O 3.31Å; K543-D657 PolarHBondContact NZ-O 2.87Å; V652-D657 HydrophobicContact CB-CB 3.81Å; V652-D657 HydrophobicContact CG1-CB 3.82Å; V652-D657 HydrophobicContact CG2-CB 4.4Å; N654-D657 PolarHBondContact N-OD2 2.93Å; N654-D657 VanDerWaalsContact O-CB 3.31Å; N654-D657 WeakPolarHBondContact O-CB 3.42Å; N654-D657 PolarHBondContact O-N 2.85Å; T655-D657 PolarHBondContact O-N 3.44Å; D657-G659 PolarHBondContact O-N 3.36Å
658I98.6Very high95.7Very high0 Ų035 Ų350%023%0.227CC..G310 helixtrans-58.2-38.6173.4-62.1172.6000110T546 A547 V550 I601 V652 T655 E656 T680 G681T546-I658 HydrophobicContact CG2-CD1 3.96Å; A547-I658 HydrophobicContact CB-CD1 4.25Å; A547-I658 HydrophobicContact CB-CG2 4.06Å; V550-I658 HydrophobicContact CG2-CD1 4.49Å; I601-I658 HydrophobicContact CD1-CB 3.96Å; I601-I658 HydrophobicContact CD1-CD1 4.35Å; I601-I658 HydrophobicContact CD1-CG2 3.63Å; I601-I658 HydrophobicContact CG1-CB 4.13Å; I601-I658 HydrophobicContact CG1-CD1 4.04Å; I601-I658 HydrophobicContact CG1-CG2 4.33Å; V652-I658 HydrophobicContact CG2-CG1 4.08Å; T655-I658 WeakPolarHBondContact O-CB 3.43Å; T655-I658 WeakPolarHBondContact O-CG1 3.5Å; T655-I658 PolarHBondContact O-N 2.9Å; E656-I658 PolarHBondContact O-N 2.85Å; I658-T680 HydrophobicContact CG2-CG2 3.66Å; I658-G681 WeakPolarHBondContact O-CA 3.48Å; I658-G681 PolarHBondContact O-N 2.82Å
659G97.7Very high94.4Very high29 Ų2937.3 Ų37.330%0.29923%0.232SC..  trans75.4-137.5-172.700000111.7I601 E656 D657I601-G659 VanDerWaalsContact CG2-O 3.29Å; I601-G659 WeakPolarHBondContact CG2-O 3.29Å; E656-G659 PolarHBondContact O-N 2.88Å; E656-G659 VanDerWaalsContact O-N 3.08Å; D657-G659 PolarHBondContact O-N 3.36Å
660L97.1Very high92.6Very high64 Ų6439.5 Ų39.534%0.33526%0.255SS..  trans-70.8147178.4-64.4177.4000110.9T680 G681 A684 Y685 F688L660-T680 CarbonylContact O-C 3.57Å; L660-T680 WeakPolarHBondContact O-CA 3.15Å; L660-G681 PolarHBondContact O-N 3.13Å; L660-A684 HydrophobicContact CB-CB 3.84Å; L660-Y685 HydrophobicContact CD1-CD2 4.35Å; L660-F688 HydrophobicContact CD1-CD2 4.35Å
661F98.6Very high90.8Very high0 Ų041.2 Ų41.20%027%0.269CS..EExtended strand (participates in β ladder)trans-123.3134.2167.1175.8-92.1000109.8A547 L551 L575 E594 V597 N598 I601 I663 A678 L679 T680A547-F661 HydrophobicContact CB-CD2 3.97Å; A547-F661 HydrophobicContact CB-CE2 4.18Å; L551-F661 HydrophobicContact CB-CZ 4.24Å; L551-F661 HydrophobicContact CD1-CZ 4.08Å; L551-F661 HydrophobicContact CD2-CZ 4.23Å; L551-F661 HydrophobicContact CG-CZ 4.41Å; L575-F661 HydrophobicContact CD2-CE2 4.09Å; E594-F661 HydrophobicContact CG-CD1 4.13Å; E594-F661 HydrophobicContact CG-CE1 4.42Å; V597-F661 HydrophobicContact CB-CD1 3.71Å; V597-F661 HydrophobicContact CB-CE1 3.9Å; V597-F661 HydrophobicContact CB-CG 4.21Å; V597-F661 HydrophobicContact CG1-CB 3.85Å; V597-F661 HydrophobicContact CG1-CD1 3.4Å; V597-F661 VanDerWaalsContact CG1-CD1 3.4Å; V597-F661 HydrophobicContact CG1-CD2 3.74Å; V597-F661 HydrophobicContact CG1-CE1 3.8Å; V597-F661 HydrophobicContact CG1-CE2 4.09Å; V597-F661 HydrophobicContact CG1-CG 3.37Å; V597-F661 HydrophobicContact CG1-CZ 4.13Å; V597-F661 HydrophobicContact CG2-CD1 4.31Å; V597-F661 HydrophobicContact CG2-CE1 3.98Å; V597-F661 HydrophobicContact CG2-CZ 4.34Å; N598-F661 PolarHBondContact ND2-O 2.81Å; N598-F661 PolarHBondContact OD1-N 3.1Å; N598-F661 PolarHBondContact OD1-O 2.89Å; I601-F661 HydrophobicContact CD1-CB 3.68Å; F661-I663 HydrophobicContact CE1-CD1 4.34Å; F661-I663 HydrophobicContact CE1-CG1 3.71Å; F661-I663 HydrophobicContact CZ-CG1 4.06Å; F661-A678 HydrophobicContact CD2-CB 4.44Å; F661-A678 HydrophobicContact CE1-CB 4.45Å; F661-A678 HydrophobicContact CE2-CB 3.56Å; F661-A678 HydrophobicContact CZ-CB 3.56Å; F661-L679 WeakPolarHBondContact CA-O 3.42Å; F661-T680 HydrophobicContact CD2-CG2 4.09Å
662K98.3Very high89.5Confident16 Ų1640.9 Ų40.97%0.0727%0.273CS..EExtended strand (participates in β ladder)trans-141.1127.6179.7178.5-178.3169.272.50110.5A678 L679 A684 A687 F688 E691K662-A678 CarbonylContact O-C 3.59Å; K662-A678 WeakPolarHBondContact O-CA 3.43Å; K662-A678 VanDerWaalsContact O-CB 3.31Å; K662-A678 WeakPolarHBondContact O-CB 3.4Å; K662-L679 PolarHBondContact N-O 2.91Å; K662-L679 PolarHBondContact O-N 3.21Å; K662-A684 HydrophobicContact CB-CB 4.18Å; K662-A687 HydrophobicContact CD-CB 3.98Å; K662-F688 HydrophobicContact CB-CE2 3.93Å; K662-F688 HydrophobicContact CB-CZ 4.01Å; K662-F688 HydrophobicContact CD-CD1 4.11Å; K662-F688 HydrophobicContact CD-CD2 4.12Å; K662-F688 HydrophobicContact CD-CE1 3.85Å; K662-F688 HydrophobicContact CD-CE2 3.86Å; K662-F688 HydrophobicContact CD-CG 4.24Å; K662-F688 HydrophobicContact CD-CZ 3.72Å; K662-F688 HydrophobicContact CG-CE1 4.33Å; K662-F688 HydrophobicContact CG-CE2 4.18Å; K662-F688 HydrophobicContact CG-CZ 3.87Å; K662-E691 WeakPolarHBondContact CE-OE1 3.13Å; K662-E691 IonicContact NZ-OE1 3.85Å; K662-E691 PolarHBondContact NZ-OE1 2.69Å; K662-E691 IonicContact NZ-OE2 3.66Å; K662-E691 PolarHBondContact NZ-OE2 2.94Å
663I98.3Very high88.4Confident18 Ų1842.4 Ų42.49%0.09228%0.282CS..EExtended strand (participates in β ladder)trans-78.3125.6167.1-61.9177.3000108L551 L590 M593 E594 F661 I676 A678L551-I663 HydrophobicContact CD1-CD1 4.42Å; L590-I663 HydrophobicContact CD2-CD1 4.28Å; L590-I663 HydrophobicContact CD2-CG2 4.3Å; M593-I663 HydrophobicContact CB-CD1 4.45Å; E594-I663 HydrophobicContact CB-CD1 4.08Å; E594-I663 HydrophobicContact CB-CG1 4.28Å; E594-I663 PolarHBondContact OE2-N 3.25Å; F661-I663 HydrophobicContact CE1-CD1 4.34Å; F661-I663 HydrophobicContact CE1-CG1 3.71Å; F661-I663 HydrophobicContact CZ-CG1 4.06Å; I663-I676 HydrophobicContact CD1-CG2 4.39Å; I663-I676 HydrophobicContact CG1-CG2 4.21Å; I663-I676 HydrophobicContact CG2-CG2 3.99Å; I663-A678 HydrophobicContact CG1-CB 4.49Å
664V96Very high88Confident80 Ų8039.7 Ų39.749%0.48526%0.256SS..EExtended strand (participates in β ladder)trans-98.9-40.1-178.4178.60000111.1E677 L679V664-E677 PolarHBondContact N-O 3.42Å; V664-L679 HydrophobicContact CG2-CB 4.48Å; V664-L679 HydrophobicContact CG2-CD1 3.5Å; V664-L679 VanDerWaalsContact CG2-CD1 3.5Å; V664-L679 HydrophobicContact CG2-CG 3.54Å
665S95.4Very high87.6Confident44 Ų4440.7 Ų40.731%0.30826%0.258SS..EExtended strand (participates in β ladder)trans-149.9157.6-178.875.90000112.3I676 E677S665-I676 WeakPolarHBondContact O-CA 3.22Å; S665-E677 PolarHBondContact N-O 2.78Å; S665-E677 PolarHBondContact O-N 3.09Å
666E94.9Very high87.5Confident31 Ų3140.7 Ų40.715%0.14526%0.258CS..EExtended strand (participates in β ladder)trans-136.9131.1173-167.3-59.6128.900106.8V585 L590 R674 R675 I676V585-E666 HydrophobicContact CB-CG 4.3Å; L590-E666 HydrophobicContact CD1-CB 3.77Å; L590-E666 HydrophobicContact CD1-CG 4.12Å; L590-E666 HydrophobicContact CD2-CB 3.96Å; L590-E666 HydrophobicContact CD2-CG 3.8Å; L590-E666 HydrophobicContact CG-CG 4.49Å; E666-R674 IonicContact OE1-CZ 3.79Å; E666-R674 IonicContact OE1-NE 2.62Å; E666-R674 PolarHBondContact OE1-NE 2.86Å; E666-R674 IonicContact OE1-NH1 3.08Å; E666-R674 PolarHBondContact OE1-NH1 3.03Å; E666-R674 IonicContact OE1-NH2 2.73Å; E666-R674 PolarHBondContact OE1-NH2 3.49Å; E666-R674 IonicContact OE2-CZ 3.92Å; E666-R674 IonicContact OE2-NH1 3.63Å; E666-R674 PolarHBondContact OE2-NH1 2.98Å; E666-R674 IonicContact OE2-NH2 3.02Å; E666-R674 PolarHBondContact OE2-NH2 3.27Å; E666-R675 CarbonylContact C-O 3.6Å; E666-R675 VanDerWaalsContact CA-O 3.27Å; E666-R675 WeakPolarHBondContact CA-O 3.41Å; E666-I676 HydrophobicContact CB-CG1 4.5Å; E666-I676 HydrophobicContact CG-CG1 4.03Å
667S87Confident87.5Confident50 Ų5037.9 Ų37.935%0.3525%0.245SC..EExtended strand (participates in β ladder)trans-149.6154.8178.460.20000113.1R675S667-R675 PolarHBondContact N-O 3.33Å; S667-R675 PolarHBondContact O-N 2.78Å
668G78Confident87.5Confident53 Ų5334.5 Ų34.555%0.54623%0.227SC..EExtended strand (participates in β ladder)trans-83.1132.316700000110.8
669I64.6Low87.5Confident77 Ų7736 Ų3640%0.39524%0.235SC..EExtended strand (participates in β ladder)trans-109.4-17.8179.361.5169000113.4D578 V673 R675D578-I669 HydrophobicContact CB-CD1 4.03Å; D578-I669 WeakPolarHBondContact OD2-CD1 3.12Å; I669-V673 HydrophobicContact CD1-CB 4.46Å; I669-V673 HydrophobicContact CD1-CG1 3.7Å; I669-V673 HydrophobicContact CG1-CB 4.05Å; I669-V673 HydrophobicContact CG1-CG1 3.77Å; I669-V673 PolarHBondContact N-O 3.16Å; I669-R675 HydrophobicContact CG2-CB 3.7Å
670G56Low87.6Confident46 Ų4634.7 Ų34.747%0.47422%0.221SC..EExtended strand (participates in β ladder)trans-170.7172.7-177.800000109.2G672 V673G670-G672 PolarHBondContact O-N 3.25Å; G670-V673 PolarHBondContact O-N 3.1Å
671A59.6Low87.6Confident41 Ų4132.3 Ų32.334%0.33921%0.211SC..THydrogen-bonded Turntrans-70.3123.5-179.100000110.9S275 V673S275-A671 VanDerWaalsContact CA-CB 3.46Å; A671-V673 VanDerWaalsContact C-N 3.28Å; A671-V673 PolarHBondContact O-N 3.34Å
672G70.1Confident87.5Confident20 Ų2038.1 Ų38.121%0.20624%0.237CC..THydrogen-bonded Turntrans78.8-0.8-17600000115.5T580 H581 G670T580-G672 CarbonylContact C-O 3.57Å; T580-G672 WeakPolarHBondContact CA-O 3.4Å; H581-G672 PolarHBondContact N-O 2.83Å; H581-G672 CarbonylContact O-C 3.47Å; G670-G672 PolarHBondContact O-N 3.25Å
673V75.9Confident87.5Confident36 Ų3638.4 Ų38.422%0.21824%0.238CC..EExtended strand (participates in β ladder)trans-121.4129.8-178-170.50000111.2A566 D578 F579 I669 G670 A671A566-V673 HydrophobicContact CB-CG1 3.82Å; D578-V673 HydrophobicContact CB-CG1 4.28Å; F579-V673 WeakPolarHBondContact O-CA 3.26Å; I669-V673 HydrophobicContact CD1-CB 4.46Å; I669-V673 HydrophobicContact CD1-CG1 3.7Å; I669-V673 HydrophobicContact CG1-CB 4.05Å; I669-V673 HydrophobicContact CG1-CG1 3.77Å; I669-V673 PolarHBondContact N-O 3.16Å; G670-V673 PolarHBondContact O-N 3.1Å; A671-V673 VanDerWaalsContact C-N 3.28Å; A671-V673 PolarHBondContact O-N 3.34Å
674R88Confident87.4Confident19 Ų1937.6 Ų37.67%0.07223%0.234CC..EExtended strand (participates in β ladder)trans-118.9154.7-175.9-55.1-72.4-89.8126.122.2109.2D578 F579 H581 G583 E666D578-R674 CarbonylContact C-O 3.51Å; D578-R674 WeakPolarHBondContact CA-O 3.48Å; F579-R674 HydrophobicContact CD1-CB 4.23Å; F579-R674 WeakPolarHBondContact CD1-O 3.29Å; F579-R674 HydrophobicContact CD2-CB 4.32Å; F579-R674 HydrophobicContact CE1-CB 3.68Å; F579-R674 HydrophobicContact CE2-CB 3.8Å; F579-R674 HydrophobicContact CE2-CG 4.28Å; F579-R674 HydrophobicContact CZ-CB 3.45Å; F579-R674 VanDerWaalsContact CZ-CB 3.45Å; F579-R674 HydrophobicContact CZ-CG 4.29Å; F579-R674 PolarHBondContact N-O 3.05Å; F579-R674 PolarHBondContact O-N 3.14Å; H581-R674 HydrophobicContact CB-CG 3.89Å; G583-R674 WeakPolarHBondContact O-CD 3.29Å; G583-R674 PolarHBondContact O-NE 3.22Å; E666-R674 IonicContact OE1-CZ 3.79Å; E666-R674 IonicContact OE1-NE 2.62Å; E666-R674 PolarHBondContact OE1-NE 2.86Å; E666-R674 IonicContact OE1-NH1 3.08Å; E666-R674 PolarHBondContact OE1-NH1 3.03Å; E666-R674 IonicContact OE1-NH2 2.73Å; E666-R674 PolarHBondContact OE1-NH2 3.49Å; E666-R674 IonicContact OE2-CZ 3.92Å; E666-R674 IonicContact OE2-NH1 3.63Å; E666-R674 PolarHBondContact OE2-NH1 2.98Å; E666-R674 IonicContact OE2-NH2 3.02Å; E666-R674 PolarHBondContact OE2-NH2 3.27Å
675R90.3Very high87.5Confident46 Ų4640 Ų4017%0.17424%0.235CC..EExtended strand (participates in β ladder)trans-127.7128.8-179.1172170.3-69170.73.8109.5R576 F577 D578 E666 S667 I669 E677R576-R675 VanDerWaalsContact CD-CZ 3.44Å; R576-R675 VanDerWaalsContact CD-NE 3.3Å; R576-R675 HydrophobicContact CG-CG 3.87Å; F577-R675 WeakPolarHBondContact O-CA 3.41Å; D578-R675 VanDerWaalsContact OD1-CB 3.25Å; D578-R675 WeakPolarHBondContact OD1-CB 3.46Å; D578-R675 VanDerWaalsContact OD1-CG 3.24Å; D578-R675 WeakPolarHBondContact OD1-CG 3.35Å; D578-R675 IonicContact OD1-CZ 2.88Å; D578-R675 IonicContact OD1-NE 3.77Å; D578-R675 PolarHBondContact OD1-NE 3.38Å; D578-R675 IonicContact OD1-NH2 2.88Å; D578-R675 PolarHBondContact OD1-NH2 2.94Å; D578-R675 IonicContact OD2-CZ 2.85Å; D578-R675 IonicContact OD2-NE 3.66Å; D578-R675 IonicContact OD2-NH2 3.27Å; D578-R675 PolarHBondContact OD2-NH2 3.18Å; E666-R675 CarbonylContact C-O 3.6Å; E666-R675 VanDerWaalsContact CA-O 3.27Å; E666-R675 WeakPolarHBondContact CA-O 3.41Å; S667-R675 PolarHBondContact N-O 3.33Å; S667-R675 PolarHBondContact O-N 2.78Å; I669-R675 HydrophobicContact CG2-CB 3.7Å; R675-E677 HydrophobicContact CG-CG 4.19Å
676I97.4Very high87.6Confident0 Ų041.9 Ų41.90%024%0.239CC..EExtended strand (participates in β ladder)trans-109.1131.5164.6-76.4164.6000108.6L551 L555 R576 F577 F579 L590 M593 I663 S665 E666L551-I676 HydrophobicContact CD2-CB 4.39Å; L551-I676 HydrophobicContact CD2-CG2 3.76Å; L555-I676 HydrophobicContact CD1-CD1 4.43Å; L555-I676 HydrophobicContact CD2-CD1 3.76Å; L555-I676 HydrophobicContact CG-CD1 4.47Å; R576-I676 WeakPolarHBondContact CA-O 3.34Å; F577-I676 PolarHBondContact N-O 2.77Å; F577-I676 PolarHBondContact O-N 3.44Å; F579-I676 HydrophobicContact CE1-CB 4.39Å; F579-I676 HydrophobicContact CE1-CD1 3.65Å; F579-I676 HydrophobicContact CE1-CG1 3.8Å; F579-I676 HydrophobicContact CZ-CD1 3.92Å; F579-I676 HydrophobicContact CZ-CG1 4.33Å; L590-I676 HydrophobicContact CD2-CD1 4.06Å; L590-I676 HydrophobicContact CD2-CG1 4.24Å; M593-I676 HydrophobicContact CE-CD1 4.09Å; I663-I676 HydrophobicContact CD1-CG2 4.39Å; I663-I676 HydrophobicContact CG1-CG2 4.21Å; I663-I676 HydrophobicContact CG2-CG2 3.99Å; S665-I676 WeakPolarHBondContact O-CA 3.22Å; E666-I676 HydrophobicContact CB-CG1 4.5Å; E666-I676 HydrophobicContact CG-CG1 4.03Å
677E97.3Very high87.7Confident55 Ų5541.4 Ų41.426%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-110.5132.3166-63.5-171.9171.200109.4L575 R576 V664 S665 R675L575-E677 WeakPolarHBondContact O-CA 3.48Å; R576-E677 HydrophobicContact CB-CG 4.16Å; R576-E677 HydrophobicContact CG-CG 4.21Å; R576-E677 IonicContact NE-OE1 3.34Å; V664-E677 PolarHBondContact N-O 3.42Å; S665-E677 PolarHBondContact N-O 2.78Å; S665-E677 PolarHBondContact O-N 3.09Å; R675-E677 HydrophobicContact CG-CG 4.19Å
678A98.5Very high88.2Confident0 Ų042.8 Ų42.80%024%0.24CC..EExtended strand (participates in β ladder)trans-138.9156.6-176.100000111.8H574 L575 F661 K662 I663H574-A678 WeakPolarHBondContact CA-O 3.06Å; H574-A678 WeakPolarHBondContact CB-O 3.43Å; L575-A678 HydrophobicContact CD1-CB 4Å; L575-A678 HydrophobicContact CD2-CB 4.38Å; L575-A678 HydrophobicContact CG-CB 3.99Å; L575-A678 PolarHBondContact N-O 2.97Å; L575-A678 PolarHBondContact O-N 3.32Å; F661-A678 HydrophobicContact CD2-CB 4.44Å; F661-A678 HydrophobicContact CE1-CB 4.45Å; F661-A678 HydrophobicContact CE2-CB 3.56Å; F661-A678 HydrophobicContact CZ-CB 3.56Å; K662-A678 CarbonylContact O-C 3.59Å; K662-A678 WeakPolarHBondContact O-CA 3.43Å; K662-A678 VanDerWaalsContact O-CB 3.31Å; K662-A678 WeakPolarHBondContact O-CB 3.4Å; I663-A678 HydrophobicContact CG1-CB 4.49Å
679L98.5Very high89.1Confident31 Ų3144.4 Ų44.416%0.16223%0.23CC..EExtended strand (participates in β ladder)trans-116.6150.7179.1-57.1174.4000109.7K573 H574 F661 K662 V664 E683 A684 A687K573-L679 VanDerWaalsContact O-CD2 3.23Å; K573-L679 WeakPolarHBondContact O-CD2 2.9Å; H574-L679 HydrophobicContact CB-CD2 3.56Å; F661-L679 WeakPolarHBondContact CA-O 3.42Å; K662-L679 PolarHBondContact N-O 2.91Å; K662-L679 PolarHBondContact O-N 3.21Å; V664-L679 HydrophobicContact CG2-CB 4.48Å; V664-L679 HydrophobicContact CG2-CD1 3.5Å; V664-L679 VanDerWaalsContact CG2-CD1 3.5Å; V664-L679 HydrophobicContact CG2-CG 3.54Å; L679-E683 HydrophobicContact CB-CB 4.37Å; L679-E683 HydrophobicContact CD2-CB 4.35Å; L679-A684 HydrophobicContact CB-CB 3.95Å; L679-A687 HydrophobicContact CD1-CB 3.63Å
680T98.7Very high90.7Very high2 Ų245.2 Ų45.21%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-123.1164.7172.864.60000112.3N544 A547 I658 L660 F661 K682 E683 A684N544-T680 WeakPolarHBondContact OD1-CB 3.38Å; N544-T680 VanDerWaalsContact OD1-CG2 3.26Å; N544-T680 WeakPolarHBondContact OD1-CG2 3.49Å; N544-T680 PolarHBondContact OD1-OG1 3.23Å; A547-T680 HydrophobicContact CB-CG2 3.47Å; A547-T680 VanDerWaalsContact CB-CG2 3.47Å; I658-T680 HydrophobicContact CG2-CG2 3.66Å; L660-T680 CarbonylContact O-C 3.57Å; L660-T680 WeakPolarHBondContact O-CA 3.15Å; F661-T680 HydrophobicContact CD2-CG2 4.09Å; T680-K682 PolarHBondContact O-N 3.36Å; T680-E683 PolarHBondContact O-N 3.01Å; T680-A684 PolarHBondContact O-N 3.46Å
681G97.3Very high92.5Very high13 Ų1347.6 Ų47.613%0.13423%0.234CC..Hα-helixtrans54.6-121.3167.400000114.1I658 L660 Y685I658-G681 WeakPolarHBondContact O-CA 3.48Å; I658-G681 PolarHBondContact O-N 2.82Å; L660-G681 PolarHBondContact O-N 3.13Å; G681-Y685 PolarHBondContact O-N 2.93Å
682K96.9Very high94.2Very high122 Ų12249.6 Ų49.653%0.5324%0.236SC..Hα-helixtrans-69.3-43.5-175.6177.2179.1168.3-178.20111.3T680 A684 Y685 E686T680-K682 PolarHBondContact O-N 3.36Å; K682-A684 VanDerWaalsContact C-N 3.3Å; K682-A684 PolarHBondContact O-N 2.96Å; K682-Y685 WeakPolarHBondContact O-CB 3.39Å; K682-Y685 PolarHBondContact O-N 3.16Å; K682-Y685 VanDerWaalsContact O-N 3.13Å; K682-E686 VanDerWaalsContact CE-CD 3.44Å; K682-E686 WeakPolarHBondContact CE-OE1 3.27Å; K682-E686 HydrophobicContact CG-CG 4.42Å; K682-E686 IonicContact NZ-OE1 3.57Å; K682-E686 PolarHBondContact NZ-OE1 2.74Å; K682-E686 PolarHBondContact O-N 3.1Å
683E97.9Very high95.5Very high23 Ų2352.7 Ų52.711%0.10725%0.245CC..Hα-helixtrans-62.5-38.1-179.3-72.771.9-16700111.1K540 L679 T680 E686 A687K540-E683 WeakPolarHBondContact CE-OE1 3.34Å; K540-E683 IonicContact NZ-OE1 3.76Å; K540-E683 PolarHBondContact NZ-OE1 3.33Å; L679-E683 HydrophobicContact CB-CB 4.37Å; L679-E683 HydrophobicContact CD2-CB 4.35Å; T680-E683 PolarHBondContact O-N 3.01Å; E683-E686 PolarHBondContact O-N 3.48Å; E683-A687 PolarHBondContact O-N 3.47Å
684A97.8Very high96.4Very high0 Ų056.9 Ų56.90%026%0.263CS..Hα-helixtrans-65.6-40.9172.100000112.8L660 K662 L679 T680 K682 A687 F688L660-A684 HydrophobicContact CB-CB 3.84Å; K662-A684 HydrophobicContact CB-CB 4.18Å; L679-A684 HydrophobicContact CB-CB 3.95Å; T680-A684 PolarHBondContact O-N 3.46Å; K682-A684 VanDerWaalsContact C-N 3.3Å; K682-A684 PolarHBondContact O-N 2.96Å; A684-A687 PolarHBondContact O-N 2.86Å; A684-F688 VanDerWaalsContact O-CD2 3.23Å; A684-F688 WeakPolarHBondContact O-CD2 3.43Å; A684-F688 PolarHBondContact O-N 3.28Å; A684-F688 VanDerWaalsContact O-N 3.13Å
685Y97.9Very high96.8Very high131 Ų13159.5 Ų59.551%0.51428%0.277SS..Hα-helixtrans-61.9-45.7175.1172.9-98.4000112L660 G681 K682 A687 F688 R689L660-Y685 HydrophobicContact CD1-CD2 4.35Å; G681-Y685 PolarHBondContact O-N 2.93Å; K682-Y685 WeakPolarHBondContact O-CB 3.39Å; K682-Y685 PolarHBondContact O-N 3.16Å; K682-Y685 VanDerWaalsContact O-N 3.13Å; Y685-A687 VanDerWaalsContact C-N 3.31Å; Y685-A687 PolarHBondContact O-N 2.56Å; Y685-F688 PolarHBondContact O-N 2.88Å; Y685-R689 HydrophobicContact CD1-CG 4.18Å; Y685-R689 HydrophobicContact CE1-CG 3.67Å; Y685-R689 HydrophobicContact CE2-CG 4.05Å; Y685-R689 WeakPolarHBondContact O-CG 3.45Å; Y685-R689 PolarHBondContact O-N 3.37Å
686E97.9Very high97Very high84 Ų8462.1 Ų62.139%0.39329%0.293SS..Hα-helixtrans-60.8-40.5177.3-72.8179.2160.900110.9K682 E683 F688 R689 D690K682-E686 VanDerWaalsContact CE-CD 3.44Å; K682-E686 WeakPolarHBondContact CE-OE1 3.27Å; K682-E686 HydrophobicContact CG-CG 4.42Å; K682-E686 IonicContact NZ-OE1 3.57Å; K682-E686 PolarHBondContact NZ-OE1 2.74Å; K682-E686 PolarHBondContact O-N 3.1Å; E683-E686 PolarHBondContact O-N 3.48Å; E686-F688 PolarHBondContact O-N 3.16Å; E686-R689 WeakPolarHBondContact O-CB 3.47Å; E686-R689 PolarHBondContact O-N 2.88Å; E686-D690 PolarHBondContact O-N 3.42Å
687A97.1Very high97Very high20 Ų2067.8 Ų67.817%0.16532%0.319CS..Hα-helixtrans-62.4-42.5175.400000113.6K662 L679 E683 A684 Y685 R689 D690 E691K662-A687 HydrophobicContact CD-CB 3.98Å; L679-A687 HydrophobicContact CD1-CB 3.63Å; E683-A687 PolarHBondContact O-N 3.47Å; A684-A687 PolarHBondContact O-N 2.86Å; Y685-A687 VanDerWaalsContact C-N 3.31Å; Y685-A687 PolarHBondContact O-N 2.56Å; A687-R689 VanDerWaalsContact C-N 3.32Å; A687-R689 PolarHBondContact O-N 2.86Å; A687-D690 PolarHBondContact O-N 3.13Å; A687-E691 WeakPolarHBondContact O-CG 3.31Å; A687-E691 PolarHBondContact O-N 3.16Å; A687-E691 VanDerWaalsContact O-N 3.13Å
688F96.5Very high96.9Very high79 Ų7967.9 Ų67.935%0.34632%0.324SS..Hα-helixtrans-65-36.7174.1-77.9-60.7000112.4L660 K662 A684 Y685 E686 E692L660-F688 HydrophobicContact CD1-CD2 4.35Å; K662-F688 HydrophobicContact CB-CE2 3.93Å; K662-F688 HydrophobicContact CB-CZ 4.01Å; K662-F688 HydrophobicContact CD-CD1 4.11Å; K662-F688 HydrophobicContact CD-CD2 4.12Å; K662-F688 HydrophobicContact CD-CE1 3.85Å; K662-F688 HydrophobicContact CD-CE2 3.86Å; K662-F688 HydrophobicContact CD-CG 4.24Å; K662-F688 HydrophobicContact CD-CZ 3.72Å; K662-F688 HydrophobicContact CG-CE1 4.33Å; K662-F688 HydrophobicContact CG-CE2 4.18Å; K662-F688 HydrophobicContact CG-CZ 3.87Å; A684-F688 VanDerWaalsContact O-CD2 3.23Å; A684-F688 WeakPolarHBondContact O-CD2 3.43Å; A684-F688 PolarHBondContact O-N 3.28Å; A684-F688 VanDerWaalsContact O-N 3.13Å; Y685-F688 PolarHBondContact O-N 2.88Å; E686-F688 PolarHBondContact O-N 3.16Å; F688-E692 WeakPolarHBondContact O-CB 3.48Å; F688-E692 PolarHBondContact O-N 3.37Å
689R97.2Very high96.8Very high88 Ų8868.2 Ų68.233%0.33233%0.327SS..Hα-helixtrans-65.3-42.8176.4-80.9-67.9-55.4173.12112.1Y685 E686 A687 E692 E693Y685-R689 HydrophobicContact CD1-CG 4.18Å; Y685-R689 HydrophobicContact CE1-CG 3.67Å; Y685-R689 HydrophobicContact CE2-CG 4.05Å; Y685-R689 WeakPolarHBondContact O-CG 3.45Å; Y685-R689 PolarHBondContact O-N 3.37Å; E686-R689 WeakPolarHBondContact O-CB 3.47Å; E686-R689 PolarHBondContact O-N 2.88Å; A687-R689 VanDerWaalsContact C-N 3.32Å; A687-R689 PolarHBondContact O-N 2.86Å; R689-E692 IonicContact CZ-OE2 2.78Å; R689-E692 IonicContact NE-OE2 2.62Å; R689-E692 IonicContact NH1-OE2 2.88Å; R689-E692 PolarHBondContact NH1-OE2 3.36Å; R689-E692 PolarHBondContact O-N 3.38Å; R689-E693 IonicContact CZ-OE1 3.25Å; R689-E693 IonicContact NH2-OE1 3.22Å; R689-E693 PolarHBondContact NH2-OE1 2.72Å; R689-E693 WeakPolarHBondContact O-CG 3.33Å; R689-E693 PolarHBondContact O-N 2.81Å
690D96.8Very high96.6Very high94 Ų9474.2 Ų74.250%0.50335%0.354SS..Hα-helixtrans-64-41.9177.2-71.8-11.5000111.4E686 A687 E693 Q694E686-D690 PolarHBondContact O-N 3.42Å; A687-D690 PolarHBondContact O-N 3.13Å; D690-E693 PolarHBondContact O-N 3.2Å; D690-Q694 WeakPolarHBondContact O-CG 2.92Å; D690-Q694 PolarHBondContact O-N 2.48Å
691E95.3Very high96.5Very high96 Ų9680.4 Ų80.445%0.44939%0.385SS..Hα-helixtrans-62.5-42.2173.7-73.5175.6179.100112.1K662 A687 Q694 L695K662-E691 WeakPolarHBondContact CE-OE1 3.13Å; K662-E691 IonicContact NZ-OE1 3.85Å; K662-E691 PolarHBondContact NZ-OE1 2.69Å; K662-E691 IonicContact NZ-OE2 3.66Å; K662-E691 PolarHBondContact NZ-OE2 2.94Å; A687-E691 WeakPolarHBondContact O-CG 3.31Å; A687-E691 PolarHBondContact O-N 3.16Å; A687-E691 VanDerWaalsContact O-N 3.13Å; E691-Q694 PolarHBondContact O-N 3.29Å; E691-L695 WeakPolarHBondContact O-CB 3.31Å; E691-L695 PolarHBondContact O-N 3.44Å
692E95.6Very high96.3Very high83 Ų8380.9 Ų80.939%0.38839%0.386SS..Hα-helixtrans-61.2-45.6175-177.6-178.1-144.900111.3F688 R689 L695 M696F688-E692 WeakPolarHBondContact O-CB 3.48Å; F688-E692 PolarHBondContact O-N 3.37Å; R689-E692 IonicContact CZ-OE2 2.78Å; R689-E692 IonicContact NE-OE2 2.62Å; R689-E692 IonicContact NH1-OE2 2.88Å; R689-E692 PolarHBondContact NH1-OE2 3.36Å; R689-E692 PolarHBondContact O-N 3.38Å; E692-L695 PolarHBondContact O-N 2.82Å; E692-M696 HydrophobicContact CG-SD 4.39Å; E692-M696 WeakPolarHBondContact O-CG 3.38Å; E692-M696 PolarHBondContact O-N 2.97Å
693E96.1Very high96.2Very high85 Ų8583.8 Ų83.840%0.39740%0.398SS..Hα-helixtrans-64.5-41.1179.5-75.6-176.5-166.400112.2R689 D690 L695 M696 Q697R689-E693 IonicContact CZ-OE1 3.25Å; R689-E693 IonicContact NH2-OE1 3.22Å; R689-E693 PolarHBondContact NH2-OE1 2.72Å; R689-E693 WeakPolarHBondContact O-CG 3.33Å; R689-E693 PolarHBondContact O-N 2.81Å; D690-E693 PolarHBondContact O-N 3.2Å; E693-L695 VanDerWaalsContact C-N 3.34Å; E693-L695 PolarHBondContact O-N 3.33Å; E693-M696 WeakPolarHBondContact O-CB 3.42Å; E693-M696 PolarHBondContact O-N 3.39Å; E693-Q697 WeakPolarHBondContact O-CG 3.08Å; E693-Q697 PolarHBondContact O-N 2.55Å
694Q95.8Very high96Very high124 Ų12483.2 Ų83.258%0.57940%0.397SS*.Hα-helixtrans-61-43.8172.8-72.7178.21.400111.5D690 E691 M696 Q697 V698D690-Q694 WeakPolarHBondContact O-CG 2.92Å; D690-Q694 PolarHBondContact O-N 2.48Å; E691-Q694 PolarHBondContact O-N 3.29Å; Q694-M696 VanDerWaalsContact C-N 3.31Å; Q694-M696 PolarHBondContact O-N 3.07Å; Q694-Q697 WeakPolarHBondContact O-CB 3.16Å; Q694-Q697 PolarHBondContact O-N 3.12Å; Q694-Q697 VanDerWaalsContact O-N 3.16Å; Q694-V698 WeakPolarHBondContact O-CG2 3.25Å; Q694-V698 PolarHBondContact O-N 3.29Å
695L95.6Very high95.5Very high73 Ų7388.4 Ų88.438%0.38243%0.431SS..Hα-helixtrans-65.5-35.2178.3-174.256.7000112.2E691 E692 E693 V698 A699 I707 V710E691-L695 WeakPolarHBondContact O-CB 3.31Å; E691-L695 PolarHBondContact O-N 3.44Å; E692-L695 PolarHBondContact O-N 2.82Å; E693-L695 VanDerWaalsContact C-N 3.34Å; E693-L695 PolarHBondContact O-N 3.33Å; L695-V698 PolarHBondContact O-N 2.95Å; L695-A699 PolarHBondContact O-N 3.23Å; L695-I707 HydrophobicContact CD1-CG2 4.46Å; L695-I707 HydrophobicContact CD2-CG2 3.26Å; L695-I707 HydrophobicContact CG-CG2 3.6Å; L695-V710 HydrophobicContact CD1-CB 4.3Å; L695-V710 HydrophobicContact CD1-CG1 4.04Å; L695-V710 HydrophobicContact CD1-CG2 4.32Å
696M95.5Very high95.2Very high102 Ų10286.5 Ų86.550%0.50243%0.426SS..Hα-helixtrans-64.8-39.7171.1-72.3179.77700112.5E692 E693 Q694 A699 Q700 I707E692-M696 HydrophobicContact CG-SD 4.39Å; E692-M696 WeakPolarHBondContact O-CG 3.38Å; E692-M696 PolarHBondContact O-N 2.97Å; E693-M696 WeakPolarHBondContact O-CB 3.42Å; E693-M696 PolarHBondContact O-N 3.39Å; Q694-M696 VanDerWaalsContact C-N 3.31Å; Q694-M696 PolarHBondContact O-N 3.07Å; M696-A699 WeakPolarHBondContact O-CB 3.25Å; M696-A699 PolarHBondContact O-N 3.46Å; M696-Q700 PolarHBondContact O-N 3.02Å; M696-I707 HydrophobicContact CG-CD1 3.58Å; M696-I707 HydrophobicContact CG-CG1 4.21Å
697Q95.7Very high94.8Very high118 Ų11885.6 Ų85.655%0.55142%0.424SS*.Hα-helixtrans-63-43.2174.4-70.1174.19.600111.4E693 Q694 A699 Q700 I701E693-Q697 WeakPolarHBondContact O-CG 3.08Å; E693-Q697 PolarHBondContact O-N 2.55Å; Q694-Q697 WeakPolarHBondContact O-CB 3.16Å; Q694-Q697 PolarHBondContact O-N 3.12Å; Q694-Q697 VanDerWaalsContact O-N 3.16Å; Q697-A699 VanDerWaalsContact C-N 3.33Å; Q697-A699 PolarHBondContact O-N 2.9Å; Q697-Q700 WeakPolarHBondContact O-CB 3.36Å; Q697-Q700 PolarHBondContact O-N 3.23Å; Q697-I701 WeakPolarHBondContact O-CG1 3.36Å; Q697-I701 PolarHBondContact O-N 2.74Å
698V95.8Very high94.7Very high58 Ų5892.6 Ų92.635%0.35245%0.45SS..Hα-helixtrans-60.8-45174.1179.20000110.3Q694 L695 Q700 I701 V702 V710Q694-V698 WeakPolarHBondContact O-CG2 3.25Å; Q694-V698 PolarHBondContact O-N 3.29Å; L695-V698 PolarHBondContact O-N 2.95Å; V698-Q700 PolarHBondContact O-N 3.09Å; V698-I701 PolarHBondContact O-N 3.07Å; V698-I701 VanDerWaalsContact O-N 3.07Å; V698-V702 HydrophobicContact CG1-CG1 4.37Å; V698-V702 WeakPolarHBondContact O-CG2 3.43Å; V698-V702 PolarHBondContact O-N 3.07Å; V698-V710 HydrophobicContact CB-CG1 4.32Å; V698-V710 HydrophobicContact CG1-CG1 3.56Å
699A95.8Very high94.5Very high7 Ų792 Ų926%0.05845%0.448CS..Hα-helixtrans-54.5-41.3175.400000112.2L695 M696 Q697 K703 S704 V710L695-A699 PolarHBondContact O-N 3.23Å; M696-A699 WeakPolarHBondContact O-CB 3.25Å; M696-A699 PolarHBondContact O-N 3.46Å; Q697-A699 VanDerWaalsContact C-N 3.33Å; Q697-A699 PolarHBondContact O-N 2.9Å; A699-K703 CarbonylContact O-C 3.56Å; A699-K703 WeakPolarHBondContact O-CA 3.44Å; A699-K703 PolarHBondContact O-N 3.41Å; A699-S704 PolarHBondContact O-N 2.85Å; A699-V710 HydrophobicContact CB-CG2 3.51Å
700Q95.3Very high94.4Very high156 Ų15688.1 Ų88.173%0.72943%0.434SS*.Hα-helixtrans-65.1-44.2175.3-172.1177.2-2.600112.6M696 Q697 V698 K703M696-Q700 PolarHBondContact O-N 3.02Å; Q697-Q700 WeakPolarHBondContact O-CB 3.36Å; Q697-Q700 PolarHBondContact O-N 3.23Å; V698-Q700 PolarHBondContact O-N 3.09Å; Q700-K703 PolarHBondContact O-N 3.19Å; Q700-K703 VanDerWaalsContact O-N 3.16Å
701I95.6Very high94.3Very high133 Ų13388.4 Ų88.468%0.68244%0.439SS*.Hα-helixtrans-60.6-46.7178.7-67.8166000110.9Q697 V698 K703Q697-I701 WeakPolarHBondContact O-CG1 3.36Å; Q697-I701 PolarHBondContact O-N 2.74Å; V698-I701 PolarHBondContact O-N 3.07Å; V698-I701 VanDerWaalsContact O-N 3.07Å; I701-K703 PolarHBondContact O-N 3.2Å
702V95Very high94.3Very high23 Ų2386.6 Ų86.614%0.13944%0.438CS..THydrogen-bonded Turntrans-83.85.7179.9-53.10000113.2V698 S704 V710 K713V698-V702 HydrophobicContact CG1-CG1 4.37Å; V698-V702 WeakPolarHBondContact O-CG2 3.43Å; V698-V702 PolarHBondContact O-N 3.07Å; V702-S704 PolarHBondContact O-N 3.15Å; V702-V710 HydrophobicContact CG2-CG1 4.49Å; V702-K713 HydrophobicContact CB-CB 4.1Å; V702-K713 HydrophobicContact CG2-CB 3.74Å
703K93.7Very high94.2Very high183 Ų18385.6 Ų85.680%0.79643%0.432SS*.THydrogen-bonded Turntrans5338.9-178.4-56.3177.1-179.1175.20112.7A699 Q700 I701A699-K703 CarbonylContact O-C 3.56Å; A699-K703 WeakPolarHBondContact O-CA 3.44Å; A699-K703 PolarHBondContact O-N 3.41Å; Q700-K703 PolarHBondContact O-N 3.19Å; Q700-K703 VanDerWaalsContact O-N 3.16Å; I701-K703 PolarHBondContact O-N 3.2Å
704S93.4Very high94.2Very high11 Ų1184.6 Ų84.68%0.07743%0.432CS..  trans-86122.7172.9-169.90000110.5A699 V702 Q706 E709A699-S704 PolarHBondContact O-N 2.85Å; V702-S704 PolarHBondContact O-N 3.15Å; S704-Q706 VanDerWaalsContact C-N 3.25Å; S704-Q706 PolarHBondContact O-N 3.18Å; S704-Q706 PolarHBondContact OG-O 2.83Å; S704-E709 WeakPolarHBondContact OG-CB 3.22Å
705P88.3Confident94.2Very high109 Ų10984.4 Ų84.471%0.70843%0.431SS*.SBendtrans-72.6-19.8175.230.1-34.2000112.8
706Q91.7Very high94.2Very high90 Ų9085.1 Ų85.142%0.42143%0.432SS..SBendtrans-130132.9-177.3-62.6-176.3-9.900110S704 K708 E709S704-Q706 VanDerWaalsContact C-N 3.25Å; S704-Q706 PolarHBondContact O-N 3.18Å; S704-Q706 PolarHBondContact OG-O 2.83Å; Q706-K708 HydrophobicContact CB-CG 4.14Å; Q706-K708 PolarHBondContact O-N 3.44Å; Q706-K708 VanDerWaalsContact OE1-NZ 3.1Å; Q706-E709 HydrophobicContact CB-CG 4.44Å; Q706-E709 PolarHBondContact O-N 3.12Å
707I89.9Confident94.2Very high66 Ų6683.9 Ų83.934%0.33843%0.427SS..G310 helixtrans-54.1-40.4179.9-72.7174.7000111.9L695 M696 E709 V710L695-I707 HydrophobicContact CD1-CG2 4.46Å; L695-I707 HydrophobicContact CD2-CG2 3.26Å; L695-I707 HydrophobicContact CG-CG2 3.6Å; M696-I707 HydrophobicContact CG-CD1 3.58Å; M696-I707 HydrophobicContact CG-CG1 4.21Å; I707-E709 PolarHBondContact O-N 3.34Å; I707-E709 VanDerWaalsContact O-N 3.07Å; I707-V710 VanDerWaalsContact O-CB 3.28Å; I707-V710 WeakPolarHBondContact O-CB 3.25Å; I707-V710 WeakPolarHBondContact O-CG2 3.45Å; I707-V710 PolarHBondContact O-N 3.09Å
708K93Very high94.2Very high166 Ų16683.2 Ų83.272%0.72242%0.424SS*.G310 helixtrans-61.6-17.817967.7176.6178.7-175.80114.8Q706Q706-K708 HydrophobicContact CB-CG 4.14Å; Q706-K708 PolarHBondContact O-N 3.44Å; Q706-K708 VanDerWaalsContact OE1-NZ 3.1Å
709E93.6Very high94.2Very high66 Ų6685.8 Ų85.831%0.30843%0.432SS..G310 helixtrans-95.7-1.7178.2-66-179.3-172.700112.5S704 Q706 I707 V711 S712 K713S704-E709 WeakPolarHBondContact OG-CB 3.22Å; Q706-E709 HydrophobicContact CB-CG 4.44Å; Q706-E709 PolarHBondContact O-N 3.12Å; I707-E709 PolarHBondContact O-N 3.34Å; I707-E709 VanDerWaalsContact O-N 3.07Å; E709-V711 VanDerWaalsContact C-N 3.32Å; E709-V711 PolarHBondContact O-N 3.38Å; E709-S712 PolarHBondContact O-N 2.81Å; E709-S712 PolarHBondContact O-OG 3.13Å; E709-K713 HydrophobicContact CB-CG 4.44Å; E709-K713 WeakPolarHBondContact O-CB 3.43Å; E709-K713 VanDerWaalsContact O-CG 3.26Å; E709-K713 WeakPolarHBondContact O-CG 3.29Å; E709-K713 PolarHBondContact O-N 3.32Å
710V95.1Very high94.2Very high7 Ų789.6 Ų89.64%0.04245%0.449CS..Hα-helixtrans-56.8-44.7-177168.60000112L695 V698 A699 V702 I707 K713 T714L695-V710 HydrophobicContact CD1-CB 4.3Å; L695-V710 HydrophobicContact CD1-CG1 4.04Å; L695-V710 HydrophobicContact CD1-CG2 4.32Å; V698-V710 HydrophobicContact CB-CG1 4.32Å; V698-V710 HydrophobicContact CG1-CG1 3.56Å; A699-V710 HydrophobicContact CB-CG2 3.51Å; V702-V710 HydrophobicContact CG2-CG1 4.49Å; I707-V710 VanDerWaalsContact O-CB 3.28Å; I707-V710 WeakPolarHBondContact O-CB 3.25Å; I707-V710 WeakPolarHBondContact O-CG2 3.45Å; I707-V710 PolarHBondContact O-N 3.09Å; V710-K713 PolarHBondContact O-N 3.3Å; V710-T714 WeakPolarHBondContact O-CB 3.41Å; V710-T714 PolarHBondContact O-N 3.49Å; V710-T714 PolarHBondContact O-OG1 2.96Å
711V94.6Very high94.3Very high100 Ų10086.7 Ų86.761%0.60644%0.438SS*.Hα-helixtrans-61.9-52.7-179.7177.90000110.7E709 K713 T714 E715E709-V711 VanDerWaalsContact C-N 3.32Å; E709-V711 PolarHBondContact O-N 3.38Å; V711-K713 VanDerWaalsContact C-N 3.31Å; V711-K713 PolarHBondContact O-N 3.14Å; V711-T714 WeakPolarHBondContact O-CB 3.4Å; V711-T714 PolarHBondContact O-N 3.08Å; V711-E715 WeakPolarHBondContact O-CG 3.23Å; V711-E715 PolarHBondContact O-N 3.41Å
712S95Very high94.3Very high59 Ų5987.8 Ų87.841%0.41343%0.433SS..Hα-helixtrans-64.6-34.4-179.262.50000112.7E709 T714 E715 Q716E709-S712 PolarHBondContact O-N 2.81Å; E709-S712 PolarHBondContact O-OG 3.13Å; S712-T714 VanDerWaalsContact C-N 3.35Å; S712-E715 PolarHBondContact O-N 3.49Å; S712-Q716 VanDerWaalsContact O-CB 3.32Å; S712-Q716 WeakPolarHBondContact O-CB 3.29Å; S712-Q716 PolarHBondContact O-N 3.06Å
713K94.3Very high94.4Very high62 Ų6291.3 Ų91.327%0.2745%0.448SS..Hα-helixtrans-66.2-36.6172.2-72.4-70.3176.1-166.30112.6V702 E709 V710 V711 Q716 L717V702-K713 HydrophobicContact CB-CB 4.1Å; V702-K713 HydrophobicContact CG2-CB 3.74Å; E709-K713 HydrophobicContact CB-CG 4.44Å; E709-K713 WeakPolarHBondContact O-CB 3.43Å; E709-K713 VanDerWaalsContact O-CG 3.26Å; E709-K713 WeakPolarHBondContact O-CG 3.29Å; E709-K713 PolarHBondContact O-N 3.32Å; V710-K713 PolarHBondContact O-N 3.3Å; V711-K713 VanDerWaalsContact C-N 3.31Å; V711-K713 PolarHBondContact O-N 3.14Å; K713-Q716 PolarHBondContact O-N 3.13Å; K713-L717 WeakPolarHBondContact O-CB 3.31Å; K713-L717 PolarHBondContact O-N 2.87Å
714T95Very high94.6Very high63 Ų6387 Ų8739%0.38743%0.433SS..Hα-helixtrans-67.9-44.4176.2-55.50000110.9V710 V711 S712 Q716 L717 Q718V710-T714 WeakPolarHBondContact O-CB 3.41Å; V710-T714 PolarHBondContact O-N 3.49Å; V710-T714 PolarHBondContact O-OG1 2.96Å; V711-T714 WeakPolarHBondContact O-CB 3.4Å; V711-T714 PolarHBondContact O-N 3.08Å; S712-T714 VanDerWaalsContact C-N 3.35Å; T714-Q716 PolarHBondContact O-N 2.83Å; T714-L717 PolarHBondContact O-N 3.16Å; T714-Q718 PolarHBondContact O-N 2.9Å
715E96.4Very high94.6Very high121 Ų12192.8 Ų92.857%0.56546%0.459SS*.Hα-helixtrans-60.7-43.9173.7-69.1176.5151.500111.7V711 S712 L717 Q718 Q719V711-E715 WeakPolarHBondContact O-CG 3.23Å; V711-E715 PolarHBondContact O-N 3.41Å; S712-E715 PolarHBondContact O-N 3.49Å; E715-L717 PolarHBondContact O-N 2.93Å; E715-Q718 PolarHBondContact O-N 2.99Å; E715-Q719 PolarHBondContact O-N 2.72Å
716Q95.2Very high94.8Very high88 Ų8894.3 Ų94.341%0.41146%0.455SS..Hα-helixtrans-60-44.1175.7-175.9177.820.800111.8S712 K713 T714 Q718 Q719 Q720S712-Q716 VanDerWaalsContact O-CB 3.32Å; S712-Q716 WeakPolarHBondContact O-CB 3.29Å; S712-Q716 PolarHBondContact O-N 3.06Å; K713-Q716 PolarHBondContact O-N 3.13Å; T714-Q716 PolarHBondContact O-N 2.83Å; Q716-Q718 VanDerWaalsContact C-N 3.35Å; Q716-Q719 PolarHBondContact O-N 3.13Å; Q716-Q720 WeakPolarHBondContact O-CG 3.38Å; Q716-Q720 PolarHBondContact O-N 3.45Å
717L95.4Very high94.9Very high75 Ų7595.1 Ų95.139%0.39346%0.458SS..Hα-helixtrans-62.6-42.3176.4179.862.8000111.3K713 T714 E715 Q719 Q720 L721K713-L717 WeakPolarHBondContact O-CB 3.31Å; K713-L717 PolarHBondContact O-N 2.87Å; T714-L717 PolarHBondContact O-N 3.16Å; E715-L717 PolarHBondContact O-N 2.93Å; L717-Q719 VanDerWaalsContact C-N 3.33Å; L717-Q719 PolarHBondContact O-N 2.92Å; L717-Q720 PolarHBondContact O-N 3.01Å; L717-L721 HydrophobicContact CG-CD1 4.47Å; L717-L721 WeakPolarHBondContact O-CG 3.34Å; L717-L721 PolarHBondContact O-N 3.32Å
718Q96.3Very high94.9Very high104 Ų10497 Ų9749%0.48647%0.469SS..Hα-helixtrans-63-40.6176.7-165.4-173.738.200111.6T714 E715 Q716 L721 R722T714-Q718 PolarHBondContact O-N 2.9Å; E715-Q718 PolarHBondContact O-N 2.99Å; Q716-Q718 VanDerWaalsContact C-N 3.35Å; Q718-L721 PolarHBondContact O-N 3.24Å; Q718-R722 WeakPolarHBondContact O-CG 3.4Å; Q718-R722 PolarHBondContact O-N 3.1Å
719Q96.5Very high94.6Very high112 Ų11294.5 Ų94.552%0.52346%0.46SS..Hα-helixtrans-64.3-46.7175.6-177.4177.2-6.600111.7E715 Q716 L717 L721 R722 E723E715-Q719 PolarHBondContact O-N 2.72Å; Q716-Q719 PolarHBondContact O-N 3.13Å; L717-Q719 VanDerWaalsContact C-N 3.33Å; L717-Q719 PolarHBondContact O-N 2.92Å; Q719-L721 VanDerWaalsContact C-N 3.3Å; Q719-L721 PolarHBondContact O-N 3.42Å; Q719-R722 PolarHBondContact O-N 2.84Å; Q719-R722 VanDerWaalsContact O-N 3.11Å; Q719-E723 WeakPolarHBondContact CG-OE1 3.18Å; Q719-E723 PolarHBondContact NE2-OE1 2.9Å; Q719-E723 PolarHBondContact O-N 2.76Å
720Q95.6Very high94.3Very high88 Ų8896.2 Ų96.241%0.41147%0.468SS..Hα-helixtrans-59.5-39.7177.3-74.6175.6-3.900112.2Q716 L717 R722 E723 L724Q716-Q720 WeakPolarHBondContact O-CG 3.38Å; Q716-Q720 PolarHBondContact O-N 3.45Å; L717-Q720 PolarHBondContact O-N 3.01Å; Q720-R722 VanDerWaalsContact C-N 3.33Å; Q720-R722 PolarHBondContact O-N 2.87Å; Q720-E723 PolarHBondContact O-N 3.46Å; Q720-L724 WeakPolarHBondContact O-CB 3.43Å; Q720-L724 WeakPolarHBondContact O-CG 3.29Å; Q720-L724 PolarHBondContact O-N 3.09Å
721L96.8Very high94Very high95 Ų95100.3 Ų100.350%0.49749%0.489SS..Hα-helixtrans-61-41.6175.4-76.3170.1000112L717 Q718 Q719 Q725L717-L721 HydrophobicContact CG-CD1 4.47Å; L717-L721 WeakPolarHBondContact O-CG 3.34Å; L717-L721 PolarHBondContact O-N 3.32Å; Q718-L721 PolarHBondContact O-N 3.24Å; Q719-L721 VanDerWaalsContact C-N 3.3Å; Q719-L721 PolarHBondContact O-N 3.42Å; L721-Q725 WeakPolarHBondContact O-CB 3.29Å; L721-Q725 VanDerWaalsContact O-CG 3.22Å; L721-Q725 WeakPolarHBondContact O-CG 3.33Å; L721-Q725 PolarHBondContact O-N 3.05Å
722R96.5Very high93.3Very high155 Ų15596.6 Ų96.659%0.58547%0.469SS*.Hα-helixtrans-66.9-40.4176.8-68.4177.6-172.7165.75.8112Q718 Q719 Q720 K726Q718-R722 WeakPolarHBondContact O-CG 3.4Å; Q718-R722 PolarHBondContact O-N 3.1Å; Q719-R722 PolarHBondContact O-N 2.84Å; Q719-R722 VanDerWaalsContact O-N 3.11Å; Q720-R722 VanDerWaalsContact C-N 3.33Å; Q720-R722 PolarHBondContact O-N 2.87Å; R722-K726 PolarHBondContact O-N 3.23Å; R722-K726 VanDerWaalsContact O-N 3.14Å
723E96.4Very high92.6Very high97 Ų9795.7 Ų95.745%0.45346%0.461SS..Hα-helixtrans-65.5-47.3177.5-72.4172.6-17300111.5Q719 Q720 Q725 K726 E727Q719-E723 WeakPolarHBondContact CG-OE1 3.18Å; Q719-E723 PolarHBondContact NE2-OE1 2.9Å; Q719-E723 PolarHBondContact O-N 2.76Å; Q720-E723 PolarHBondContact O-N 3.46Å; E723-Q725 VanDerWaalsContact C-N 3.33Å; E723-Q725 PolarHBondContact O-N 2.75Å; E723-K726 WeakPolarHBondContact O-CB 3.46Å; E723-K726 PolarHBondContact O-N 2.96Å; E723-K726 VanDerWaalsContact O-N 3.14Å; E723-E727 PolarHBondContact O-N 3.02Å
724L96.6Very high92Very high92 Ų9299.4 Ų99.448%0.48248%0.478SS..Hα-helixtrans-62.6-37.5176.6-75.1170000112.6Q720 K726 E727 N728Q720-L724 WeakPolarHBondContact O-CB 3.43Å; Q720-L724 WeakPolarHBondContact O-CG 3.29Å; Q720-L724 PolarHBondContact O-N 3.09Å; L724-K726 VanDerWaalsContact C-N 3.34Å; L724-E727 PolarHBondContact O-N 3.47Å; L724-N728 VanDerWaalsContact O-CB 3.28Å; L724-N728 WeakPolarHBondContact O-CB 3.33Å; L724-N728 PolarHBondContact O-N 3.18Å; L724-N728 PolarHBondContact O-ND2 3.24Å
725Q93.9Very high91.4Very high134 Ų134101.3 Ų101.363%0.62649%0.485SS*.Hα-helixtrans-61.5-43.4173.5-78.6173-6.300111.6L721 E723 N728 E729L721-Q725 WeakPolarHBondContact O-CB 3.29Å; L721-Q725 VanDerWaalsContact O-CG 3.22Å; L721-Q725 WeakPolarHBondContact O-CG 3.33Å; L721-Q725 PolarHBondContact O-N 3.05Å; E723-Q725 VanDerWaalsContact C-N 3.33Å; E723-Q725 PolarHBondContact O-N 2.75Å; Q725-N728 PolarHBondContact O-N 2.82Å; Q725-E729 PolarHBondContact O-N 3.04Å; Q725-E729 VanDerWaalsContact O-N 3.08Å
726K93.7Very high90.4Very high140 Ų14095.7 Ų95.761%0.60946%0.459SS*.Hα-helixtrans-66.6-43.3177.5-175.5179.3179.3-178.60112.3R722 E723 L724 E729 Q730R722-K726 PolarHBondContact O-N 3.23Å; R722-K726 VanDerWaalsContact O-N 3.14Å; E723-K726 WeakPolarHBondContact O-CB 3.46Å; E723-K726 PolarHBondContact O-N 2.96Å; E723-K726 VanDerWaalsContact O-N 3.14Å; L724-K726 VanDerWaalsContact C-N 3.34Å; K726-E729 PolarHBondContact O-N 2.83Å; K726-Q730 WeakPolarHBondContact O-CG 3.31Å; K726-Q730 PolarHBondContact O-N 2.79Å
727E93.4Very high89.4Confident107 Ų10794.3 Ų94.350%0.545%0.454SS..Hα-helixtrans-63.4-44.1175.9-74.1-173.6174.600111.8E723 L724 E729 Q730 L731E723-E727 PolarHBondContact O-N 3.02Å; L724-E727 PolarHBondContact O-N 3.47Å; E727-E729 VanDerWaalsContact C-N 3.26Å; E727-E729 PolarHBondContact O-N 3.16Å; E727-Q730 PolarHBondContact O-N 3.35Å; E727-Q730 VanDerWaalsContact O-N 3.15Å; E727-L731 WeakPolarHBondContact O-CB 3.25Å; E727-L731 WeakPolarHBondContact O-CG 3.48Å; E727-L731 PolarHBondContact O-N 3Å
728N89.7Confident88.8Confident106 Ų10697.6 Ų97.657%0.56747%0.468SS*.Hα-helixtrans-57.9-40175.2-86-22.2000111.7L724 Q725 A732L724-N728 VanDerWaalsContact O-CB 3.28Å; L724-N728 WeakPolarHBondContact O-CB 3.33Å; L724-N728 PolarHBondContact O-N 3.18Å; L724-N728 PolarHBondContact O-ND2 3.24Å; Q725-N728 PolarHBondContact O-N 2.82Å; N728-A732 VanDerWaalsContact O-CB 3.25Å; N728-A732 WeakPolarHBondContact O-CB 3.45Å; N728-A732 PolarHBondContact O-N 3.22Å
729E85.9Confident87.7Confident113 Ų11395.6 Ų95.653%0.52846%0.458SS..Hα-helixtrans-67.6-39.7176.5-177.4151.3-126.600112.9Q725 K726 E727 T733 K763Q725-E729 PolarHBondContact O-N 3.04Å; Q725-E729 VanDerWaalsContact O-N 3.08Å; K726-E729 PolarHBondContact O-N 2.83Å; E727-E729 VanDerWaalsContact C-N 3.26Å; E727-E729 PolarHBondContact O-N 3.16Å; E729-T733 WeakPolarHBondContact O-CB 3.45Å; E729-T733 PolarHBondContact O-N 2.94Å; E729-T733 PolarHBondContact O-OG1 2.94Å; E729-K763 IonicContact OE1-NZ 3.81Å; E729-K763 PolarHBondContact OE1-NZ 2.88Å
730Q87.9Confident86.5Confident102 Ų10290.3 Ų90.348%0.47743%0.434SS..Hα-helixtrans-65.9-43.3175.2-70.9178.52.300112.2K726 E727 T733 K734K726-Q730 WeakPolarHBondContact O-CG 3.31Å; K726-Q730 PolarHBondContact O-N 2.79Å; E727-Q730 PolarHBondContact O-N 3.35Å; E727-Q730 VanDerWaalsContact O-N 3.15Å; Q730-T733 PolarHBondContact O-N 3.13Å; Q730-K734 WeakPolarHBondContact O-CG 3.42Å; Q730-K734 PolarHBondContact O-N 3.07Å
731L88Confident85.5Confident93 Ų9387.7 Ų87.749%0.48743%0.43SS..Hα-helixtrans-64.1-44.6176.6-73.1171.6000111.2E727 T733 K734 L735E727-L731 WeakPolarHBondContact O-CB 3.25Å; E727-L731 WeakPolarHBondContact O-CG 3.48Å; E727-L731 PolarHBondContact O-N 3Å; L731-T733 PolarHBondContact O-N 2.63Å; L731-K734 PolarHBondContact O-N 2.88Å; L731-L735 WeakPolarHBondContact O-CB 3.49Å; L731-L735 PolarHBondContact O-N 2.99Å
732A80.9Confident84.6Confident23 Ų2388.1 Ų88.119%0.1943%0.433CS..Hα-helixtrans-58.9-38.4175.100000111.6N728 A736 K763 Q767N728-A732 VanDerWaalsContact O-CB 3.25Å; N728-A732 WeakPolarHBondContact O-CB 3.45Å; N728-A732 PolarHBondContact O-N 3.22Å; A732-A736 WeakPolarHBondContact O-CB 3.21Å; A732-A736 PolarHBondContact O-N 3.23Å; A732-A736 VanDerWaalsContact O-N 3.08Å; A732-K763 HydrophobicContact CB-CD 4.14Å; A732-Q767 PolarHBondContact O-NE2 2.83Å; A732-Q767 VanDerWaalsContact O-NE2 3.07Å
733T79.3Confident83.8Confident39 Ų3981.9 Ų81.924%0.23941%0.412CS..Hα-helixtrans-68.6-42.9176.5-55.50000111.9E729 Q730 L731 A736 N737E729-T733 WeakPolarHBondContact O-CB 3.45Å; E729-T733 PolarHBondContact O-N 2.94Å; E729-T733 PolarHBondContact O-OG1 2.94Å; Q730-T733 PolarHBondContact O-N 3.13Å; L731-T733 PolarHBondContact O-N 2.63Å; T733-A736 PolarHBondContact O-N 3.17Å; T733-N737 VanDerWaalsContact O-CG 3.24Å; T733-N737 PolarHBondContact O-N 3.07Å; T733-N737 PolarHBondContact O-ND2 2.95Å
734K83Confident83.2Confident141 Ų14178 Ų7861%0.61339%0.393SS*.Hα-helixtrans-62.3-44.1176.1-75.5179.5-179175.60112.2Q730 L731 N737 Q738Q730-K734 WeakPolarHBondContact O-CG 3.42Å; Q730-K734 PolarHBondContact O-N 3.07Å; L731-K734 PolarHBondContact O-N 2.88Å; K734-N737 PolarHBondContact O-N 2.96Å; K734-Q738 PolarHBondContact O-N 2.88Å
735L81.2Confident82.6Confident103 Ų10381 Ų8154%0.53940%0.403SS..Hα-helixtrans-60.6-45.3176.4-84.2157.7000111.6L731 N737 Q738 Q739L731-L735 WeakPolarHBondContact O-CB 3.49Å; L731-L735 PolarHBondContact O-N 2.99Å; L735-N737 VanDerWaalsContact C-N 3.35Å; L735-N737 PolarHBondContact O-N 3.01Å; L735-Q738 PolarHBondContact O-N 3.06Å; L735-Q739 PolarHBondContact O-N 3.01Å; L735-Q739 VanDerWaalsContact O-N 3.12Å
736A75.2Confident82.2Confident2 Ų278.6 Ų78.62%0.01739%0.394CS..Hα-helixtrans-59.1-46.217600000111.4A732 T733 Q738 Q739 A740 V762 Q767 L771A732-A736 WeakPolarHBondContact O-CB 3.21Å; A732-A736 PolarHBondContact O-N 3.23Å; A732-A736 VanDerWaalsContact O-N 3.08Å; T733-A736 PolarHBondContact O-N 3.17Å; A736-Q738 VanDerWaalsContact C-N 3.35Å; A736-Q738 PolarHBondContact O-N 3.25Å; A736-Q739 PolarHBondContact O-N 2.81Å; A736-A740 PolarHBondContact O-N 3.14Å; A736-V762 HydrophobicContact CB-CG1 3.83Å; A736-Q767 HydrophobicContact CB-CB 4.45Å; A736-L771 WeakPolarHBondContact O-CD2 3.19Å
737N76.1Confident82Confident60 Ų6075 Ų7532%0.32138%0.384SS..Hα-helixtrans-63.4-36.7178.6-70.7-19.6000113.4T733 K734 L735 A740 Q774T733-N737 VanDerWaalsContact O-CG 3.24Å; T733-N737 PolarHBondContact O-N 3.07Å; T733-N737 PolarHBondContact O-ND2 2.95Å; K734-N737 PolarHBondContact O-N 2.96Å; L735-N737 VanDerWaalsContact C-N 3.35Å; L735-N737 PolarHBondContact O-N 3.01Å; N737-A740 VanDerWaalsContact O-CB 3.27Å; N737-A740 WeakPolarHBondContact O-CB 3.37Å; N737-A740 PolarHBondContact O-N 2.69Å; N737-Q774 PolarHBondContact OD1-NE2 2.89Å
738Q81.3Confident81.9Confident143 Ų14374.7 Ų74.767%0.66838%0.381SS*.Hα-helixtrans-67.1-43.2177.6-173.3176-2.200111.3K734 L735 A736 A740 G741K734-Q738 PolarHBondContact O-N 2.88Å; L735-Q738 PolarHBondContact O-N 3.06Å; A736-Q738 VanDerWaalsContact C-N 3.35Å; A736-Q738 PolarHBondContact O-N 3.25Å; Q738-A740 VanDerWaalsContact C-N 3.3Å; Q738-A740 PolarHBondContact O-N 3.2Å; Q738-G741 PolarHBondContact O-N 3.35Å
739Q73.8Confident82Confident63 Ų6376.6 Ų76.629%0.29439%0.386SS..Hα-helixtrans-63.2-36175.9-72.4-174-13.400112.6L735 A736 G741 D742 V743 N761L735-Q739 PolarHBondContact O-N 3.01Å; L735-Q739 VanDerWaalsContact O-N 3.12Å; A736-Q739 PolarHBondContact O-N 2.81Å; Q739-G741 PolarHBondContact O-N 3.46Å; Q739-D742 PolarHBondContact O-N 3.25Å; Q739-V743 WeakPolarHBondContact O-CG2 3.49Å; Q739-V743 PolarHBondContact O-N 2.93Å; Q739-V743 VanDerWaalsContact O-N 3.15Å; Q739-N761 PolarHBondContact OE1-O 3.31Å
740A71Confident82.1Confident1 Ų172.7 Ų72.71%0.00837%0.369CS..Hα-helixtrans-51.1-45.9174.100000111.9A736 N737 Q738 D742 V743 F744 L771A736-A740 PolarHBondContact O-N 3.14Å; N737-A740 VanDerWaalsContact O-CB 3.27Å; N737-A740 WeakPolarHBondContact O-CB 3.37Å; N737-A740 PolarHBondContact O-N 2.69Å; Q738-A740 VanDerWaalsContact C-N 3.3Å; Q738-A740 PolarHBondContact O-N 3.2Å; A740-D742 VanDerWaalsContact C-N 3.27Å; A740-D742 PolarHBondContact O-N 3.17Å; A740-V743 PolarHBondContact O-N 3.02Å; A740-F744 HydrophobicContact CB-CD2 4.04Å; A740-F744 HydrophobicContact CB-CE2 3.48Å; A740-F744 VanDerWaalsContact CB-CE2 3.48Å; A740-F744 HydrophobicContact CB-CZ 3.87Å; A740-F744 VanDerWaalsContact O-CB 3.23Å; A740-F744 WeakPolarHBondContact O-CB 3.33Å; A740-F744 WeakPolarHBondContact O-CD2 3.27Å; A740-F744 WeakPolarHBondContact O-CG 3.28Å; A740-F744 PolarHBondContact O-N 3.2Å; A740-L771 HydrophobicContact CB-CD2 3.28Å
741G74.3Confident82.1Confident32 Ų3274.1 Ų74.133%0.3338%0.38SS..Hα-helixtrans-61.5-31.9-174.400000114.3Q738 Q739 K745Q738-G741 PolarHBondContact O-N 3.35Å; Q739-G741 PolarHBondContact O-N 3.46Å; G741-K745 VanDerWaalsContact O-CE 3.26Å; G741-K745 WeakPolarHBondContact O-CE 3.13Å; G741-K745 WeakPolarHBondContact O-CG 2.97Å
742D77.9Confident82.1Confident105 Ų10571.7 Ų71.756%0.56138%0.377SS*.Hα-helixtrans-86.9-38.5178.1-70.6-31.3000112.1Q739 A740 F744 K745Q739-D742 PolarHBondContact O-N 3.25Å; A740-D742 VanDerWaalsContact C-N 3.27Å; A740-D742 PolarHBondContact O-N 3.17Å; D742-F744 VanDerWaalsContact C-N 3.28Å; D742-F744 PolarHBondContact O-N 2.86Å; D742-K745 PolarHBondContact O-N 3.14Å; D742-K745 IonicContact OD1-NZ 2.81Å; D742-K745 PolarHBondContact OD1-NZ 3.17Å
743V80.6Confident82.6Confident24 Ų2471.2 Ų71.215%0.14537%0.372CS..Hα-helixtrans-60-40.1174.8165.10000111.9Q739 A740 K745 D746 I756 A758 V760 L786Q739-V743 WeakPolarHBondContact O-CG2 3.49Å; Q739-V743 PolarHBondContact O-N 2.93Å; Q739-V743 VanDerWaalsContact O-N 3.15Å; A740-V743 PolarHBondContact O-N 3.02Å; V743-K745 PolarHBondContact O-N 3.13Å; V743-K745 VanDerWaalsContact O-N 3.15Å; V743-D746 PolarHBondContact O-N 2.95Å; V743-I756 HydrophobicContact CG1-CG2 4.04Å; V743-A758 HydrophobicContact CB-CB 4.19Å; V743-A758 HydrophobicContact CG1-CB 3.35Å; V743-A758 HydrophobicContact CG2-CB 3.86Å; V743-V760 HydrophobicContact CG2-CG1 3.83Å; V743-L786 HydrophobicContact CG1-CD2 3.94Å
744F84.5Confident83.3Confident14 Ų1471.3 Ų71.36%0.06137%0.372CS..THydrogen-bonded Turntrans-69.5-7.3-177.7-72.2-17.7000115.3A740 D742 I756 L771 Q774 W775 L780 L784A740-F744 HydrophobicContact CB-CD2 4.04Å; A740-F744 HydrophobicContact CB-CE2 3.48Å; A740-F744 VanDerWaalsContact CB-CE2 3.48Å; A740-F744 HydrophobicContact CB-CZ 3.87Å; A740-F744 VanDerWaalsContact O-CB 3.23Å; A740-F744 WeakPolarHBondContact O-CB 3.33Å; A740-F744 WeakPolarHBondContact O-CD2 3.27Å; A740-F744 WeakPolarHBondContact O-CG 3.28Å; A740-F744 PolarHBondContact O-N 3.2Å; D742-F744 VanDerWaalsContact C-N 3.28Å; D742-F744 PolarHBondContact O-N 2.86Å; F744-I756 HydrophobicContact CD1-CD1 4.4Å; F744-L771 HydrophobicContact CZ-CB 4.44Å; F744-L771 WeakPolarHBondContact CZ-O 3.2Å; F744-Q774 HydrophobicContact CE2-CB 4.14Å; F744-Q774 HydrophobicContact CZ-CB 4.47Å; F744-W775 HydrophobicContact CE1-CB 3.79Å; F744-W775 HydrophobicContact CE1-CG 4.49Å; F744-W775 HydrophobicContact CZ-CB 3.83Å; F744-L780 HydrophobicContact CB-CD1 3.54Å; F744-L780 HydrophobicContact CD1-CD1 3.89Å; F744-L780 HydrophobicContact CD2-CD1 3.53Å; F744-L780 HydrophobicContact CE2-CD1 4.23Å; F744-L780 HydrophobicContact CG-CD1 3.34Å; F744-L784 HydrophobicContact CE1-CD1 4.2Å
745K83.2Confident83.9Confident155 Ų15564.8 Ų64.867%0.67434%0.344SS*.THydrogen-bonded Turntrans-87.7-19.9178-64.8168.5-172.2157.80113.1G741 D742 V743 V747G741-K745 VanDerWaalsContact O-CE 3.26Å; G741-K745 WeakPolarHBondContact O-CE 3.13Å; G741-K745 WeakPolarHBondContact O-CG 2.97Å; D742-K745 PolarHBondContact O-N 3.14Å; D742-K745 IonicContact OD1-NZ 2.81Å; D742-K745 PolarHBondContact OD1-NZ 3.17Å; V743-K745 PolarHBondContact O-N 3.13Å; V743-K745 VanDerWaalsContact O-N 3.15Å; K745-V747 PolarHBondContact O-N 3.43Å
746D85Confident84.5Confident84 Ų8459.9 Ų59.945%0.44932%0.319SS..  trans-89.768.4-178.4-17129.1000111.3V743 K748V743-D746 PolarHBondContact O-N 2.95Å; D746-K748 WeakPolarHBondContact OD2-CE 2.9Å; D746-K748 IonicContact OD2-NZ 3.58Å
747V90.1Very high85.4Confident64 Ų6461.2 Ų61.239%0.38833%0.326SS..  trans-86.9123.8176.6-169.70000109.6K745 T754 I756K745-V747 PolarHBondContact O-N 3.43Å; V747-T754 HydrophobicContact CG1-CG2 4.32Å; V747-I756 HydrophobicContact CB-CG1 4.38Å; V747-I756 HydrophobicContact CG1-CG1 4.47Å; V747-I756 HydrophobicContact CG2-CD1 3.95Å; V747-I756 HydrophobicContact CG2-CG1 3.89Å
748K91Very high86.1Confident102 Ų10259.1 Ų59.144%0.44332%0.317SS..EExtended strand (participates in β ladder)trans-108.9147.3175.5-64.3174.6-173.1164.50110D746 T754 V755D746-K748 WeakPolarHBondContact OD2-CE 2.9Å; D746-K748 IonicContact OD2-NZ 3.58Å; K748-T754 CarbonylContact O-C 3.54Å; K748-T754 WeakPolarHBondContact O-CA 3.28Å; K748-V755 HydrophobicContact CB-CG1 4.18Å; K748-V755 PolarHBondContact N-O 2.88Å; K748-V755 PolarHBondContact O-N 3.04Å
749E91.8Very high86.5Confident145 Ų14558 Ų5868%0.67831%0.312SS*.EExtended strand (participates in β ladder)trans-109.7125.3174.2-168.9179.6165.400109.8
750I88.9Confident87.3Confident32 Ų3255.2 Ų55.216%0.16430%0.3CS..EExtended strand (participates in β ladder)trans-131.4119.8-179.5-55.4179.8000107.4G752 T753 V755 A851 L854 A855I750-G752 PolarHBondContact O-N 2.93Å; I750-G752 VanDerWaalsContact O-N 3.11Å; I750-T753 PolarHBondContact N-O 2.62Å; I750-T753 WeakPolarHBondContact O-CB 3.32Å; I750-T753 PolarHBondContact O-N 2.7Å; I750-V755 HydrophobicContact CD1-CG1 3.86Å; I750-V755 HydrophobicContact CG1-CG1 4.2Å; I750-A851 VanDerWaalsContact CD1-CA 3.5Å; I750-A851 HydrophobicContact CD1-CB 3.44Å; I750-A851 VanDerWaalsContact CD1-CB 3.44Å; I750-L854 HydrophobicContact CB-CB 4.34Å; I750-L854 HydrophobicContact CG2-CB 3.97Å; I750-A855 HydrophobicContact CG2-CB 4.29Å
751N87.3Confident87.9Confident132 Ų13261 Ų6171%0.70633%0.331SS*.THydrogen-bonded Turntrans49.139.6179.2-157.110.5000113.7T753 A855N751-T753 VanDerWaalsContact C-N 3.33Å; N751-T753 PolarHBondContact O-N 3.45Å; N751-A855 PolarHBondContact ND2-O 3.19Å
752G87.2Confident88.4Confident41 Ų4159.7 Ų59.742%0.42332%0.316SS..THydrogen-bonded Turntrans73.317.2-178.100000115.6I750 K807I750-G752 PolarHBondContact O-N 2.93Å; I750-G752 VanDerWaalsContact O-N 3.11Å; G752-K807 PolarHBondContact O-NZ 3.23Å; G752-K807 VanDerWaalsContact O-NZ 3.11Å
753T91.2Very high88.6Confident13 Ų1358.5 Ų58.58%0.0831%0.306CS..EExtended strand (participates in β ladder)trans-119.4128.1173.8-57.40000109.6I750 N751 D782 V783 L809 L854I750-T753 PolarHBondContact N-O 2.62Å; I750-T753 WeakPolarHBondContact O-CB 3.32Å; I750-T753 PolarHBondContact O-N 2.7Å; N751-T753 VanDerWaalsContact C-N 3.33Å; N751-T753 PolarHBondContact O-N 3.45Å; T753-D782 HydrophobicContact CG2-CB 3.61Å; T753-V783 HydrophobicContact CG2-CG2 4.04Å; T753-L809 HydrophobicContact CG2-CD1 3.95Å; T753-L854 HydrophobicContact CG2-CD2 4.42Å
754T94.9Very high88.8Confident41 Ų4159.3 Ų59.325%0.25231%0.309SS..EExtended strand (participates in β ladder)trans-85.3132.2178.555.90000111V747 K748 S781 D782 V783V747-T754 HydrophobicContact CG1-CG2 4.32Å; K748-T754 CarbonylContact O-C 3.54Å; K748-T754 WeakPolarHBondContact O-CA 3.28Å; T754-S781 WeakPolarHBondContact O-CB 3.29Å; T754-S781 VanDerWaalsContact OG1-CA 3.3Å; T754-S781 WeakPolarHBondContact OG1-CA 3.19Å; T754-D782 PolarHBondContact N-OD2 3.37Å; T754-D782 WeakPolarHBondContact O-CA 3.33Å; T754-D782 VanDerWaalsContact O-CB 3.31Å; T754-D782 WeakPolarHBondContact O-CB 3.37Å; T754-D782 PolarHBondContact O-N 3.33Å; T754-D782 PolarHBondContact OG1-N 3.24Å; T754-D782 PolarHBondContact OG1-OD2 3.32Å; T754-V783 PolarHBondContact O-N 2.91Å
755V94.6Very high89Confident4 Ų459.9 Ų59.92%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-135.7141.3-175.463.40000112K748 I750 T757 V783 V850 L854K748-V755 HydrophobicContact CB-CG1 4.18Å; K748-V755 PolarHBondContact N-O 2.88Å; K748-V755 PolarHBondContact O-N 3.04Å; I750-V755 HydrophobicContact CD1-CG1 3.86Å; I750-V755 HydrophobicContact CG1-CG1 4.2Å; V755-T757 HydrophobicContact CG2-CG2 3.88Å; V755-V783 CarbonylContact C-O 3.52Å; V755-V783 VanDerWaalsContact CA-O 3.31Å; V755-V783 WeakPolarHBondContact CA-O 3.3Å; V755-V783 HydrophobicContact CB-CB 4.31Å; V755-V783 HydrophobicContact CG2-CB 3.98Å; V755-V783 HydrophobicContact CG2-CG1 4.14Å; V755-V850 HydrophobicContact CG2-CG1 3.9Å; V755-L854 HydrophobicContact CB-CD1 3.81Å; V755-L854 HydrophobicContact CG1-CD1 3.98Å; V755-L854 HydrophobicContact CG2-CD1 3.9Å
756I94.2Very high89.3Confident1 Ų157 Ų571%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-118.1123.1169.6-62.7165.6000107.6V743 F744 V747 L780 S781 V783 L784 V785V743-I756 HydrophobicContact CG1-CG2 4.04Å; F744-I756 HydrophobicContact CD1-CD1 4.4Å; V747-I756 HydrophobicContact CB-CG1 4.38Å; V747-I756 HydrophobicContact CG1-CG1 4.47Å; V747-I756 HydrophobicContact CG2-CD1 3.95Å; V747-I756 HydrophobicContact CG2-CG1 3.89Å; I756-L780 HydrophobicContact CD1-CB 3.95Å; I756-S781 WeakPolarHBondContact CD1-OG 3.07Å; I756-V783 PolarHBondContact N-O 3.07Å; I756-L784 HydrophobicContact CB-CD1 3.8Å; I756-L784 HydrophobicContact CG2-CD1 3.69Å; I756-L784 CarbonylContact O-C 3.6Å; I756-L784 WeakPolarHBondContact O-CA 3.17Å; I756-V785 PolarHBondContact O-N 3.19Å
757T93.7Very high89.3Confident29 Ų2953.3 Ų53.318%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-125.3125.6174.659.80000109.7V755 V785 V850V755-T757 HydrophobicContact CG2-CG2 3.88Å; T757-V785 VanDerWaalsContact CA-O 3.29Å; T757-V785 WeakPolarHBondContact CA-O 3.46Å; T757-V785 HydrophobicContact CG2-CB 4.23Å; T757-V850 HydrophobicContact CG2-CB 3.84Å; T757-V850 HydrophobicContact CG2-CG1 3.82Å; T757-V850 HydrophobicContact CG2-CG2 4Å
758A91.9Very high89.3Confident16 Ų1650.2 Ų50.213%0.13227%0.266CS..EExtended strand (participates in β ladder)trans-153150.2176.800000113.8V743 V785 L786 G787V743-A758 HydrophobicContact CB-CB 4.19Å; V743-A758 HydrophobicContact CG1-CB 3.35Å; V743-A758 HydrophobicContact CG2-CB 3.86Å; A758-V785 PolarHBondContact N-O 3.22Å; A758-L786 HydrophobicContact CB-CD2 4.16Å; A758-L786 WeakPolarHBondContact O-CA 3.18Å; A758-G787 PolarHBondContact O-N 3.01Å
759Q90.4Very high89.3Confident119 Ų11948.9 Ų48.956%0.55626%0.258SS*.EExtended strand (participates in β ladder)trans-83.2129.6159.7178.2176.2-9.600109G787 L843 L847Q759-G787 CarbonylContact C-O 3.55Å; Q759-G787 VanDerWaalsContact CA-O 3.26Å; Q759-G787 WeakPolarHBondContact CA-O 3.2Å; Q759-L843 HydrophobicContact CB-CD2 4.13Å; Q759-L843 HydrophobicContact CG-CD2 3.71Å; Q759-L847 HydrophobicContact CB-CD1 4.26Å
760V88.6Confident89.2Confident6 Ų645.8 Ų45.84%0.03624%0.244CC..  trans-119.1149.5175.9-69.80000110V743 V762 L768 L771 L786 G787 T788V743-V760 HydrophobicContact CG2-CG1 3.83Å; V760-V762 HydrophobicContact CB-CG1 4.26Å; V760-V762 HydrophobicContact CG2-CG1 4.15Å; V760-V762 HydrophobicContact CG2-CG2 3.98Å; V760-V762 PolarHBondContact O-N 3.42Å; V760-L768 HydrophobicContact CG2-CD2 3.35Å; V760-L771 HydrophobicContact CB-CD1 4.33Å; V760-L771 HydrophobicContact CG1-CD1 4.21Å; V760-L771 HydrophobicContact CG2-CD1 4.07Å; V760-L786 HydrophobicContact CG1-CD2 4.12Å; V760-L786 HydrophobicContact CG2-CB 4.34Å; V760-G787 PolarHBondContact N-O 3.43Å; V760-T788 WeakPolarHBondContact O-CA 3.37Å; V760-T788 VanDerWaalsContact O-CB 3.24Å; V760-T788 WeakPolarHBondContact O-CB 3.23Å; V760-T788 PolarHBondContact O-OG1 3.29Å; V760-T788 VanDerWaalsContact O-OG1 3.09Å
761N84.9Confident89.2Confident123 Ų12344.3 Ų44.366%0.65824%0.236SC*.  trans-100.478.7179.7-166.611.7000109.5Q739Q739-N761 PolarHBondContact OE1-O 3.31Å
762V84.9Confident89.4Confident4 Ų438.1 Ų38.12%0.02420%0.204CC..  trans-118.3151.3-178.4-60.50000112.5A736 V760 D764 Q767 L768 L771 T788 Q790A736-V762 HydrophobicContact CB-CG1 3.83Å; V760-V762 HydrophobicContact CB-CG1 4.26Å; V760-V762 HydrophobicContact CG2-CG1 4.15Å; V760-V762 HydrophobicContact CG2-CG2 3.98Å; V760-V762 PolarHBondContact O-N 3.42Å; V762-D764 PolarHBondContact O-N 3.34Å; V762-Q767 HydrophobicContact CB-CB 3.73Å; V762-Q767 VanDerWaalsContact CB-OE1 3.31Å; V762-Q767 HydrophobicContact CG1-CB 4.17Å; V762-Q767 HydrophobicContact CG2-CB 4.15Å; V762-L768 HydrophobicContact CG2-CD2 3.57Å; V762-L768 HydrophobicContact CG2-CG 3.73Å; V762-L771 HydrophobicContact CG1-CD1 3.96Å; V762-T788 HydrophobicContact CG2-CG2 3.82Å; V762-T788 PolarHBondContact N-OG1 3.34Å; V762-T788 PolarHBondContact O-OG1 2.9Å; V762-Q790 PolarHBondContact O-NE2 3.47Å
763K81Confident89.5Confident79 Ų7940.2 Ų40.234%0.34321%0.205SC..SBendtrans-72.2-20.9-16987.8-176.7-179.8172.60114.6E729 A732 Q767 Q790E729-K763 IonicContact OE1-NZ 3.81Å; E729-K763 PolarHBondContact OE1-NZ 2.88Å; A732-K763 HydrophobicContact CB-CD 4.14Å; K763-Q767 HydrophobicContact CG-CG 4.13Å; K763-Q790 PolarHBondContact O-NE2 2.91Å; K763-Q790 PolarHBondContact O-OE1 3.4Å; K763-Q790 VanDerWaalsContact O-OE1 3.05Å
764D85.5Confident89.3Confident42 Ų4241.8 Ų41.823%0.22521%0.211CC..SBendtrans-168.9-179.1-177.458.429.1000112.2V762 N766 Q767 L768 Q790V762-D764 PolarHBondContact O-N 3.34Å; D764-N766 VanDerWaalsContact C-N 3.29Å; D764-N766 PolarHBondContact O-N 3.03Å; D764-N766 WeakPolarHBondContact OD1-CA 3.41Å; D764-N766 WeakPolarHBondContact OD1-CB 3.11Å; D764-N766 PolarHBondContact OD1-N 3.38Å; D764-Q767 PolarHBondContact OD1-N 3.2Å; D764-L768 PolarHBondContact O-N 2.9Å; D764-Q790 VanDerWaalsContact N-NE2 3.18Å
765M89.6Confident89.1Confident25 Ų2540 Ų4012%0.12320%0.2CC..Hα-helixtrans-66.5-26.6174.2-170.463.376.200113.1L768 R769 N795 L797 Q834M765-L768 HydrophobicContact CE-CD1 4.49Å; M765-L768 PolarHBondContact O-N 2.84Å; M765-L768 HydrophobicContact SD-CB 4.28Å; M765-L768 HydrophobicContact SD-CD1 3.78Å; M765-R769 WeakPolarHBondContact O-CG 3.33Å; M765-R769 PolarHBondContact O-N 3.24Å; M765-R769 VanDerWaalsContact O-N 3.08Å; M765-N795 HydrophobicContact CE-CB 3.6Å; M765-L797 HydrophobicContact SD-CB 4.48Å; M765-Q834 HydrophobicContact CE-CB 3.92Å; M765-Q834 HydrophobicContact SD-CB 3.96Å
766N87.9Confident88.9Confident94 Ų9444.5 Ų44.550%0.50322%0.219SC..Hα-helixtrans-66.1-41.8178.9-73.4-21.2000110.7D764 R769 Q770D764-N766 VanDerWaalsContact C-N 3.29Å; D764-N766 PolarHBondContact O-N 3.03Å; D764-N766 WeakPolarHBondContact OD1-CA 3.41Å; D764-N766 WeakPolarHBondContact OD1-CB 3.11Å; D764-N766 PolarHBondContact OD1-N 3.38Å; N766-R769 PolarHBondContact O-N 3.33Å; N766-R769 PolarHBondContact OD1-NH1 2.82Å; N766-Q770 WeakPolarHBondContact O-CG 3.47Å; N766-Q770 PolarHBondContact O-N 2.88Å; N766-Q770 VanDerWaalsContact O-N 3.08Å
767Q85.6Confident88.6Confident7 Ų752.3 Ų52.33%0.03326%0.256CS..Hα-helixtrans-65.1-38.4174.3-70.4-168.6-24.600112.2A732 A736 V762 K763 D764 R769 Q770 L771A732-Q767 PolarHBondContact O-NE2 2.83Å; A732-Q767 VanDerWaalsContact O-NE2 3.07Å; A736-Q767 HydrophobicContact CB-CB 4.45Å; V762-Q767 HydrophobicContact CB-CB 3.73Å; V762-Q767 VanDerWaalsContact CB-OE1 3.31Å; V762-Q767 HydrophobicContact CG1-CB 4.17Å; V762-Q767 HydrophobicContact CG2-CB 4.15Å; K763-Q767 HydrophobicContact CG-CG 4.13Å; D764-Q767 PolarHBondContact OD1-N 3.2Å; Q767-R769 VanDerWaalsContact C-N 3.31Å; Q767-R769 PolarHBondContact O-N 3.47Å; Q767-Q770 PolarHBondContact O-N 2.79Å; Q767-L771 WeakPolarHBondContact O-CG 3.33Å; Q767-L771 PolarHBondContact O-N 2.88Å; Q767-L771 VanDerWaalsContact O-N 3.08Å
768L90.7Very high88.4Confident0 Ų057.3 Ų57.30%028%0.275CS..Hα-helixtrans-57.9-42.7172.7-71.7-179.2000112.2V760 V762 D764 M765 L771 A772 L786 T788 N795 L797V760-L768 HydrophobicContact CG2-CD2 3.35Å; V762-L768 HydrophobicContact CG2-CD2 3.57Å; V762-L768 HydrophobicContact CG2-CG 3.73Å; D764-L768 PolarHBondContact O-N 2.9Å; M765-L768 HydrophobicContact CE-CD1 4.49Å; M765-L768 PolarHBondContact O-N 2.84Å; M765-L768 HydrophobicContact SD-CB 4.28Å; M765-L768 HydrophobicContact SD-CD1 3.78Å; L768-L771 PolarHBondContact O-N 3.42Å; L768-A772 PolarHBondContact O-N 2.77Å; L768-L786 HydrophobicContact CD2-CB 3.81Å; L768-L786 HydrophobicContact CD2-CD1 4.38Å; L768-T788 HydrophobicContact CD1-CG2 3.96Å; L768-T788 HydrophobicContact CD2-CG2 4.43Å; L768-T788 HydrophobicContact CG-CG2 4.24Å; L768-N795 HydrophobicContact CD1-CB 3.91Å; L768-L797 HydrophobicContact CB-CB 4.21Å; L768-L797 HydrophobicContact CB-CD1 4.06Å; L768-L797 HydrophobicContact CD1-CB 4.25Å
769R91.4Very high88.1Confident73 Ų7360.6 Ų60.628%0.27530%0.302SS..Hα-helixtrans-64.5-40.4177.1-67.8-174.3-156.9113.50.3112.1M765 N766 Q767 L771 A772 D773 L797 M832 Q834M765-R769 WeakPolarHBondContact O-CG 3.33Å; M765-R769 PolarHBondContact O-N 3.24Å; M765-R769 VanDerWaalsContact O-N 3.08Å; N766-R769 PolarHBondContact O-N 3.33Å; N766-R769 PolarHBondContact OD1-NH1 2.82Å; Q767-R769 VanDerWaalsContact C-N 3.31Å; Q767-R769 PolarHBondContact O-N 3.47Å; R769-L771 VanDerWaalsContact C-N 3.3Å; R769-L771 PolarHBondContact O-N 2.81Å; R769-A772 WeakPolarHBondContact O-CB 3.22Å; R769-A772 PolarHBondContact O-N 3.42Å; R769-A772 VanDerWaalsContact O-N 3.11Å; R769-D773 PolarHBondContact O-N 2.82Å; R769-L797 HydrophobicContact CB-CD1 4.32Å; R769-L797 HydrophobicContact CG-CD1 3.63Å; R769-M832 HydrophobicContact CG-SD 4.44Å; R769-Q834 VanDerWaalsContact NE-OE1 3.16Å
770Q87.8Confident88.1Confident80 Ų8057.6 Ų57.637%0.37429%0.29SS..Hα-helixtrans-60.6-39.3175.5-71.4177.1-12.700112.3N766 Q767 D773 Q774N766-Q770 WeakPolarHBondContact O-CG 3.47Å; N766-Q770 PolarHBondContact O-N 2.88Å; N766-Q770 VanDerWaalsContact O-N 3.08Å; Q767-Q770 PolarHBondContact O-N 2.79Å; Q770-D773 PolarHBondContact O-N 3.27Å; Q770-Q774 WeakPolarHBondContact O-CG 3.36Å; Q770-Q774 PolarHBondContact O-N 2.96Å; Q770-Q774 VanDerWaalsContact O-N 3.09Å
771L88.9Confident88.3Confident1 Ų157.7 Ų57.71%0.00529%0.291CS..Hα-helixtrans-65.3-42.1173.7-60.1175.6000111.1A736 A740 F744 V760 V762 Q767 L768 R769 D773 Q774 W775 L786A736-L771 WeakPolarHBondContact O-CD2 3.19Å; A740-L771 HydrophobicContact CB-CD2 3.28Å; F744-L771 HydrophobicContact CZ-CB 4.44Å; F744-L771 WeakPolarHBondContact CZ-O 3.2Å; V760-L771 HydrophobicContact CB-CD1 4.33Å; V760-L771 HydrophobicContact CG1-CD1 4.21Å; V760-L771 HydrophobicContact CG2-CD1 4.07Å; V762-L771 HydrophobicContact CG1-CD1 3.96Å; Q767-L771 WeakPolarHBondContact O-CG 3.33Å; Q767-L771 PolarHBondContact O-N 2.88Å; Q767-L771 VanDerWaalsContact O-N 3.08Å; L768-L771 PolarHBondContact O-N 3.42Å; R769-L771 VanDerWaalsContact C-N 3.3Å; R769-L771 PolarHBondContact O-N 2.81Å; L771-D773 VanDerWaalsContact C-N 3.32Å; L771-D773 PolarHBondContact O-N 3.24Å; L771-Q774 PolarHBondContact O-N 2.92Å; L771-W775 WeakPolarHBondContact O-CB 3.39Å; L771-W775 PolarHBondContact O-N 3.39Å; L771-L786 HydrophobicContact CB-CD1 3.64Å; L771-L786 HydrophobicContact CD1-CD1 3.89Å; L771-L786 HydrophobicContact CG-CD1 4.43Å
772A91.5Very high88.8Confident3 Ų353.2 Ų53.23%0.02527%0.267CS..Hα-helixtrans-61.1-39.7175.800000112.5L768 R769 W775 K776 L784 L797 A799L768-A772 PolarHBondContact O-N 2.77Å; R769-A772 WeakPolarHBondContact O-CB 3.22Å; R769-A772 PolarHBondContact O-N 3.42Å; R769-A772 VanDerWaalsContact O-N 3.11Å; A772-W775 WeakPolarHBondContact O-CB 3.27Å; A772-W775 PolarHBondContact O-N 2.68Å; A772-K776 WeakPolarHBondContact O-CB 3.32Å; A772-K776 PolarHBondContact O-N 2.97Å; A772-L784 HydrophobicContact CB-CD2 4.16Å; A772-L797 HydrophobicContact CB-CD1 4.27Å; A772-L797 HydrophobicContact CB-CD2 3.56Å; A772-A799 HydrophobicContact CB-CB 4.24Å
773D89.5Confident89.3Confident84 Ų8453 Ų5345%0.44927%0.266SS..Hα-helixtrans-64.5-42.8175.8-71.7-29.8000111.7R769 Q770 L771 W775 K776 Q777R769-D773 PolarHBondContact O-N 2.82Å; Q770-D773 PolarHBondContact O-N 3.27Å; L771-D773 VanDerWaalsContact C-N 3.32Å; L771-D773 PolarHBondContact O-N 3.24Å; D773-W775 VanDerWaalsContact C-N 3.34Å; D773-W775 PolarHBondContact O-N 2.91Å; D773-K776 PolarHBondContact O-N 2.79Å; D773-Q777 WeakPolarHBondContact O-CG 3.38Å; D773-Q777 PolarHBondContact O-N 2.98Å
774Q87.4Confident90Very high47 Ų4749.3 Ų49.322%0.2225%0.249CC..Hα-helixtrans-63-41.3175.4-73.7179.26.900112.4N737 F744 Q770 L771 K776 Q777 K778N737-Q774 PolarHBondContact OD1-NE2 2.89Å; F744-Q774 HydrophobicContact CE2-CB 4.14Å; F744-Q774 HydrophobicContact CZ-CB 4.47Å; Q770-Q774 WeakPolarHBondContact O-CG 3.36Å; Q770-Q774 PolarHBondContact O-N 2.96Å; Q770-Q774 VanDerWaalsContact O-N 3.09Å; L771-Q774 PolarHBondContact O-N 2.92Å; Q774-K776 VanDerWaalsContact C-N 3.35Å; Q774-Q777 PolarHBondContact O-N 2.65Å; Q774-K778 PolarHBondContact O-N 3.27Å
775W91.6Very high90.5Very high2 Ų247.3 Ų47.31%0.00824%0.239CC..Hα-helixtrans-60-46.5174.6164.986.5000111.6F744 L771 A772 D773 Q777 K778 A779 S781 L784 A799F744-W775 HydrophobicContact CE1-CB 3.79Å; F744-W775 HydrophobicContact CE1-CG 4.49Å; F744-W775 HydrophobicContact CZ-CB 3.83Å; L771-W775 WeakPolarHBondContact O-CB 3.39Å; L771-W775 PolarHBondContact O-N 3.39Å; A772-W775 WeakPolarHBondContact O-CB 3.27Å; A772-W775 PolarHBondContact O-N 2.68Å; D773-W775 VanDerWaalsContact C-N 3.34Å; D773-W775 PolarHBondContact O-N 2.91Å; W775-Q777 PolarHBondContact O-N 2.93Å; W775-K778 PolarHBondContact O-N 2.85Å; W775-A779 PolarHBondContact O-N 2.76Å; W775-S781 WeakPolarHBondContact CZ2-O 3.19Å; W775-S781 PolarHBondContact NE1-OG 3.24Å; W775-L784 HydrophobicContact CB-CD2 3.71Å; W775-L784 HydrophobicContact CD2-CB 3.64Å; W775-L784 HydrophobicContact CD2-CD2 3.92Å; W775-L784 HydrophobicContact CD2-CG 4.31Å; W775-L784 HydrophobicContact CE3-CB 4.07Å; W775-L784 HydrophobicContact CE3-CD2 4.22Å; W775-L784 HydrophobicContact CG-CB 4Å; W775-L784 HydrophobicContact CG-CD1 4.32Å; W775-L784 HydrophobicContact CG-CD2 3.68Å; W775-L784 HydrophobicContact CG-CG 4.21Å; W775-L784 HydrophobicContact CH2-CB 4.28Å; W775-L784 HydrophobicContact CZ2-CB 3.86Å; W775-L784 HydrophobicContact CZ3-CB 4.38Å; W775-A799 HydrophobicContact CE3-CB 4.03Å; W775-A799 HydrophobicContact CH2-CB 4.32Å; W775-A799 HydrophobicContact CZ3-CB 3.61Å
776K90.4Very high90.7Very high99 Ų9946.1 Ų46.143%0.4323%0.233SC..Hα-helixtrans-63.7-41.8179.9-169.2172.6-175.31720111.9A772 D773 Q774 K778 A779 D831A772-K776 WeakPolarHBondContact O-CB 3.32Å; A772-K776 PolarHBondContact O-N 2.97Å; D773-K776 PolarHBondContact O-N 2.79Å; Q774-K776 VanDerWaalsContact C-N 3.35Å; K776-K778 VanDerWaalsContact C-N 3.32Å; K776-K778 PolarHBondContact O-N 2.93Å; K776-A779 PolarHBondContact O-N 2.92Å; K776-D831 IonicContact NZ-OD2 3.36Å; K776-D831 PolarHBondContact NZ-OD2 3.41Å
777Q87.9Confident91Very high166 Ų16641.6 Ų41.678%0.77621%0.209SC*.Hα-helixtrans-63.5-35.8177.1-75.51775.900113.1D773 Q774 W775D773-Q777 WeakPolarHBondContact O-CG 3.38Å; D773-Q777 PolarHBondContact O-N 2.98Å; Q774-Q777 PolarHBondContact O-N 2.65Å; W775-Q777 PolarHBondContact O-N 2.93Å
778K88.1Confident91.3Very high133 Ų13341.3 Ų41.358%0.57821%0.208SC*.Hα-helixtrans-89.2-6.4-179.1-69.8179.9-177.8177.60113.7Q774 W775 K776 L780Q774-K778 PolarHBondContact O-N 3.27Å; W775-K778 PolarHBondContact O-N 2.85Å; K776-K778 VanDerWaalsContact C-N 3.32Å; K776-K778 PolarHBondContact O-N 2.93Å; K778-L780 VanDerWaalsContact C-N 3.3Å; K778-L780 HydrophobicContact CB-CD1 4.04Å; K778-L780 HydrophobicContact CB-CD2 3.82Å; K778-L780 HydrophobicContact CB-CG 3.59Å; K778-L780 HydrophobicContact CD-CD1 4.32Å; K778-L780 HydrophobicContact CD-CD2 4.46Å; K778-L780 PolarHBondContact O-N 2.9Å
779A87.4Confident91.4Very high85 Ų8543 Ų4370%0.70222%0.218SC*.THydrogen-bonded Turntrans48.349.1-178.700000112.9W775 K776W775-A779 PolarHBondContact O-N 2.76Å; K776-A779 PolarHBondContact O-N 2.92Å
780L88.6Confident91.1Very high57 Ų5743 Ų4330%0.29822%0.221SC..  trans-77.4-26.5-168.7-63.8167.2000114.5F744 I756 K778F744-L780 HydrophobicContact CB-CD1 3.54Å; F744-L780 HydrophobicContact CD1-CD1 3.89Å; F744-L780 HydrophobicContact CD2-CD1 3.53Å; F744-L780 HydrophobicContact CE2-CD1 4.23Å; F744-L780 HydrophobicContact CG-CD1 3.34Å; I756-L780 HydrophobicContact CD1-CB 3.95Å; K778-L780 VanDerWaalsContact C-N 3.3Å; K778-L780 HydrophobicContact CB-CD1 4.04Å; K778-L780 HydrophobicContact CB-CD2 3.82Å; K778-L780 HydrophobicContact CB-CG 3.59Å; K778-L780 HydrophobicContact CD-CD1 4.32Å; K778-L780 HydrophobicContact CD-CD2 4.46Å; K778-L780 PolarHBondContact O-N 2.9Å
781S93.2Very high91Very high8 Ų842.5 Ų42.56%0.05624%0.237CC..  trans-158.6174.9176.265.90000110.4T754 I756 W775 V783T754-S781 WeakPolarHBondContact O-CB 3.29Å; T754-S781 VanDerWaalsContact OG1-CA 3.3Å; T754-S781 WeakPolarHBondContact OG1-CA 3.19Å; I756-S781 WeakPolarHBondContact CD1-OG 3.07Å; W775-S781 WeakPolarHBondContact CZ2-O 3.19Å; W775-S781 PolarHBondContact NE1-OG 3.24Å; S781-V783 PolarHBondContact OG-O 2.68Å
782D95.3Very high91Very high29 Ų2950.1 Ų50.116%0.15527%0.273CS..SBendtrans-78.1-35.8175.2-65.7-56.5000112.2T753 T754 M800 S801 A804T753-D782 HydrophobicContact CG2-CB 3.61Å; T754-D782 PolarHBondContact N-OD2 3.37Å; T754-D782 WeakPolarHBondContact O-CA 3.33Å; T754-D782 VanDerWaalsContact O-CB 3.31Å; T754-D782 WeakPolarHBondContact O-CB 3.37Å; T754-D782 PolarHBondContact O-N 3.33Å; T754-D782 PolarHBondContact OG1-N 3.24Å; T754-D782 PolarHBondContact OG1-OD2 3.32Å; D782-M800 CarbonylContact O-C 3.5Å; D782-M800 WeakPolarHBondContact O-CA 3.38Å; D782-S801 PolarHBondContact O-N 2.8Å; D782-S801 PolarHBondContact OD1-OG 3.14Å; D782-A804 HydrophobicContact CB-CB 4.1Å; D782-A804 WeakPolarHBondContact O-CB 3.27Å
783V95.9Very high90.9Very high0 Ų056.6 Ų56.60%030%0.3CS..EExtended strand (participates in β ladder)trans-131.3138-179-176.10000110.3T753 T754 V755 I756 S781 V785 M800 A804 L809 L814 L854T753-V783 HydrophobicContact CG2-CG2 4.04Å; T754-V783 PolarHBondContact O-N 2.91Å; V755-V783 CarbonylContact C-O 3.52Å; V755-V783 VanDerWaalsContact CA-O 3.31Å; V755-V783 WeakPolarHBondContact CA-O 3.3Å; V755-V783 HydrophobicContact CB-CB 4.31Å; V755-V783 HydrophobicContact CG2-CB 3.98Å; V755-V783 HydrophobicContact CG2-CG1 4.14Å; I756-V783 PolarHBondContact N-O 3.07Å; S781-V783 PolarHBondContact OG-O 2.68Å; V783-V785 HydrophobicContact CG1-CG2 4.23Å; V783-M800 HydrophobicContact CG1-CE 4.24Å; V783-M800 HydrophobicContact CG1-CG 4.35Å; V783-M800 HydrophobicContact CG2-CE 4.31Å; V783-M800 HydrophobicContact CG2-CG 4.2Å; V783-A804 HydrophobicContact CG2-CB 4.39Å; V783-L809 HydrophobicContact CG2-CD1 4.27Å; V783-L814 HydrophobicContact CG1-CD2 3.82Å; V783-L854 HydrophobicContact CG2-CD2 4.44Å
784L95.3Very high91.1Very high0 Ų052.6 Ų52.60%028%0.279CS..EExtended strand (participates in β ladder)trans-122.7130.8170.4176.573.9000109.4F744 I756 A772 W775 L786 A798 A799F744-L784 HydrophobicContact CE1-CD1 4.2Å; I756-L784 HydrophobicContact CB-CD1 3.8Å; I756-L784 HydrophobicContact CG2-CD1 3.69Å; I756-L784 CarbonylContact O-C 3.6Å; I756-L784 WeakPolarHBondContact O-CA 3.17Å; A772-L784 HydrophobicContact CB-CD2 4.16Å; W775-L784 HydrophobicContact CB-CD2 3.71Å; W775-L784 HydrophobicContact CD2-CB 3.64Å; W775-L784 HydrophobicContact CD2-CD2 3.92Å; W775-L784 HydrophobicContact CD2-CG 4.31Å; W775-L784 HydrophobicContact CE3-CB 4.07Å; W775-L784 HydrophobicContact CE3-CD2 4.22Å; W775-L784 HydrophobicContact CG-CB 4Å; W775-L784 HydrophobicContact CG-CD1 4.32Å; W775-L784 HydrophobicContact CG-CD2 3.68Å; W775-L784 HydrophobicContact CG-CG 4.21Å; W775-L784 HydrophobicContact CH2-CB 4.28Å; W775-L784 HydrophobicContact CZ2-CB 3.86Å; W775-L784 HydrophobicContact CZ3-CB 4.38Å; L784-L786 HydrophobicContact CD1-CD1 4.5Å; L784-L786 HydrophobicContact CD1-CD2 3.88Å; L784-L786 HydrophobicContact CD1-CG 3.98Å; L784-L786 HydrophobicContact CD2-CD1 3.97Å; L784-L786 HydrophobicContact CD2-CG 4.06Å; L784-L786 HydrophobicContact CG-CD1 4.42Å; L784-L786 HydrophobicContact CG-CD2 4.42Å; L784-L786 HydrophobicContact CG-CG 3.97Å; L784-A798 CarbonylContact O-C 3.59Å; L784-A798 VanDerWaalsContact O-CA 3.27Å; L784-A798 WeakPolarHBondContact O-CA 3.15Å; L784-A799 HydrophobicContact CB-CB 4.42Å; L784-A799 PolarHBondContact N-O 2.93Å; L784-A799 PolarHBondContact O-N 3.31Å
785V95.9Very high91.5Very high0 Ų052 Ų520%028%0.277CS..EExtended strand (participates in β ladder)trans-128119.8168.4-173.40000109.9I756 T757 A758 V783 L797 A798 L814 I818 L847 V850I756-V785 PolarHBondContact O-N 3.19Å; T757-V785 VanDerWaalsContact CA-O 3.29Å; T757-V785 WeakPolarHBondContact CA-O 3.46Å; T757-V785 HydrophobicContact CG2-CB 4.23Å; A758-V785 PolarHBondContact N-O 3.22Å; V783-V785 HydrophobicContact CG1-CG2 4.23Å; V785-L797 CarbonylContact C-O 3.51Å; V785-L797 VanDerWaalsContact CA-O 3.31Å; V785-L797 WeakPolarHBondContact CA-O 3.37Å; V785-A798 HydrophobicContact CG2-CB 4.23Å; V785-L814 HydrophobicContact CG2-CD2 3.61Å; V785-L814 HydrophobicContact CG2-CG 4.46Å; V785-I818 HydrophobicContact CG1-CD1 3.56Å; V785-L847 HydrophobicContact CB-CD2 4.41Å; V785-L847 HydrophobicContact CG1-CD2 3.84Å; V785-V850 HydrophobicContact CB-CG2 4.07Å; V785-V850 HydrophobicContact CG1-CG2 4.07Å; V785-V850 HydrophobicContact CG2-CG1 3.94Å; V785-V850 HydrophobicContact CG2-CG2 3.79Å
786L94.4Very high91.8Very high0 Ų051.9 Ų51.90%028%0.277CS..EExtended strand (participates in β ladder)trans-117.1143.3177.8-62.7-178.9000110.7V743 A758 V760 L768 L771 L784 L796 L797V743-L786 HydrophobicContact CG1-CD2 3.94Å; A758-L786 HydrophobicContact CB-CD2 4.16Å; A758-L786 WeakPolarHBondContact O-CA 3.18Å; V760-L786 HydrophobicContact CG1-CD2 4.12Å; V760-L786 HydrophobicContact CG2-CB 4.34Å; L768-L786 HydrophobicContact CD2-CB 3.81Å; L768-L786 HydrophobicContact CD2-CD1 4.38Å; L771-L786 HydrophobicContact CB-CD1 3.64Å; L771-L786 HydrophobicContact CD1-CD1 3.89Å; L771-L786 HydrophobicContact CG-CD1 4.43Å; L784-L786 HydrophobicContact CD1-CD1 4.5Å; L784-L786 HydrophobicContact CD1-CD2 3.88Å; L784-L786 HydrophobicContact CD1-CG 3.98Å; L784-L786 HydrophobicContact CD2-CD1 3.97Å; L784-L786 HydrophobicContact CD2-CG 4.06Å; L784-L786 HydrophobicContact CG-CD1 4.42Å; L784-L786 HydrophobicContact CG-CD2 4.42Å; L784-L786 HydrophobicContact CG-CG 3.97Å; L786-L796 CarbonylContact O-C 3.58Å; L786-L796 WeakPolarHBondContact O-CA 3.35Å; L786-L797 PolarHBondContact N-O 2.87Å; L786-L797 PolarHBondContact O-N 3.04Å
787G93.9Very high92.1Very high0 Ų047.1 Ų47.10%026%0.256CS..EExtended strand (participates in β ladder)trans-131145.6170.200000112.9A758 Q759 V760 N795A758-G787 PolarHBondContact O-N 3.01Å; Q759-G787 CarbonylContact C-O 3.55Å; Q759-G787 VanDerWaalsContact CA-O 3.26Å; Q759-G787 WeakPolarHBondContact CA-O 3.2Å; V760-G787 PolarHBondContact N-O 3.43Å; G787-N795 CarbonylContact C-O 3.53Å; G787-N795 WeakPolarHBondContact CA-O 3.46Å
788T92.7Very high92.5Very high1 Ų139.2 Ų39.21%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-130.9148.6171.1-174.10000110.7V760 V762 L768 V794 N795V760-T788 WeakPolarHBondContact O-CA 3.37Å; V760-T788 VanDerWaalsContact O-CB 3.24Å; V760-T788 WeakPolarHBondContact O-CB 3.23Å; V760-T788 PolarHBondContact O-OG1 3.29Å; V760-T788 VanDerWaalsContact O-OG1 3.09Å; V762-T788 HydrophobicContact CG2-CG2 3.82Å; V762-T788 PolarHBondContact N-OG1 3.34Å; V762-T788 PolarHBondContact O-OG1 2.9Å; L768-T788 HydrophobicContact CD1-CG2 3.96Å; L768-T788 HydrophobicContact CD2-CG2 4.43Å; L768-T788 HydrophobicContact CG-CG2 4.24Å; T788-V794 WeakPolarHBondContact O-CA 3.43Å; T788-N795 HydrophobicContact CG2-CB 3.82Å; T788-N795 PolarHBondContact N-O 3.22Å; T788-N795 PolarHBondContact O-N 3.26Å
789V91.7Very high92.9Very high36 Ų3633.1 Ų33.122%0.21819%0.194CC..EExtended strand (participates in β ladder)trans-114.8129.6176.9177.80000108.9G791 K793 V794 P840 L843V789-G791 WeakPolarHBondContact CG1-O 3.26Å; V789-K793 CarbonylContact C-O 3.51Å; V789-K793 WeakPolarHBondContact CA-O 3.26Å; V789-V794 HydrophobicContact CG2-CG2 4.4Å; V789-P840 HydrophobicContact CG1-CB 3.73Å; V789-P840 HydrophobicContact CG1-CG 3.93Å; V789-P840 HydrophobicContact CG2-CB 4.12Å; V789-L843 HydrophobicContact CG2-CD2 3.64Å
790Q85.3Confident93.3Very high73 Ų7329.1 Ų29.134%0.34116%0.16SC..EExtended strand (participates in β ladder)trans-130.2101.2172.5-75.3164.735.700109.7V762 K763 D764 E792 K793V762-Q790 PolarHBondContact O-NE2 3.47Å; K763-Q790 PolarHBondContact O-NE2 2.91Å; K763-Q790 PolarHBondContact O-OE1 3.4Å; K763-Q790 VanDerWaalsContact O-OE1 3.05Å; D764-Q790 VanDerWaalsContact N-NE2 3.18Å; Q790-E792 PolarHBondContact O-N 2.68Å; Q790-E792 VanDerWaalsContact O-N 3.12Å; Q790-K793 PolarHBondContact N-O 3.3Å; Q790-K793 PolarHBondContact O-N 3.19Å
791G85.9Confident93.6Very high69 Ų6927.3 Ų27.371%0.71115%0.152SC*.THydrogen-bonded Turntrans56-118.6-169.400000109.8V789V789-G791 WeakPolarHBondContact CG1-O 3.26Å
792E88.6Confident93.5Very high161 Ų16131 Ų3175%0.75218%0.176SC*.THydrogen-bonded Turntrans-86.8-9.4179.7-60.4-175.7167.900114.1Q790 K838 P840Q790-E792 PolarHBondContact O-N 2.68Å; Q790-E792 VanDerWaalsContact O-N 3.12Å; E792-K838 CarbonylContact O-C 3.31Å; E792-K838 WeakPolarHBondContact O-CA 3.15Å; E792-P840 WeakPolarHBondContact O-CD 3.45Å
793K91Very high93.3Very high138 Ų13831.7 Ų31.760%0.619%0.186SC*.EExtended strand (participates in β ladder)trans-92.2142-176.5-67.2-177.3-178.8176.20111.5V789 Q790 G837V789-K793 CarbonylContact C-O 3.51Å; V789-K793 WeakPolarHBondContact CA-O 3.26Å; Q790-K793 PolarHBondContact N-O 3.3Å; Q790-K793 PolarHBondContact O-N 3.19Å; K793-G837 WeakPolarHBondContact CA-O 3.45Å
794V93.8Very high93Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-119.1135.6172.9-170.40000108.9T788 V789 V822 G836 G837 P840 L843T788-V794 WeakPolarHBondContact O-CA 3.43Å; V789-V794 HydrophobicContact CG2-CG2 4.4Å; V794-V822 HydrophobicContact CB-CB 4.19Å; V794-V822 HydrophobicContact CB-CG1 4.42Å; V794-V822 HydrophobicContact CG1-CB 4.17Å; V794-V822 HydrophobicContact CG1-CG1 3.9Å; V794-V822 HydrophobicContact CG1-CG2 4.48Å; V794-V822 HydrophobicContact CG2-CB 4.38Å; V794-G836 CarbonylContact O-C 3.49Å; V794-G836 VanDerWaalsContact O-CA 3.31Å; V794-G836 WeakPolarHBondContact O-CA 3.13Å; V794-G837 PolarHBondContact N-O 3.48Å; V794-G837 PolarHBondContact O-N 3Å; V794-P840 VanDerWaalsContact CG2-CA 3.43Å; V794-P840 HydrophobicContact CG2-CB 4.16Å; V794-P840 HydrophobicContact CG2-CG 3.99Å; V794-L843 HydrophobicContact CG1-CB 4.41Å; V794-L843 HydrophobicContact CG1-CD1 4.03Å; V794-L843 HydrophobicContact CG1-CD2 4.34Å; V794-L843 HydrophobicContact CG1-CG 4.5Å
795N95.4Very high93Very high34 Ų3433.7 Ų33.718%0.18220%0.196CC..EExtended strand (participates in β ladder)trans-118.3134.3170.2-72.7-49000108.7M765 L768 G787 T788 A835M765-N795 HydrophobicContact CE-CB 3.6Å; L768-N795 HydrophobicContact CD1-CB 3.91Å; G787-N795 CarbonylContact C-O 3.53Å; G787-N795 WeakPolarHBondContact CA-O 3.46Å; T788-N795 HydrophobicContact CG2-CB 3.82Å; T788-N795 PolarHBondContact N-O 3.22Å; T788-N795 PolarHBondContact O-N 3.26Å; N795-A835 WeakPolarHBondContact CA-O 3.44Å
796L96.5Very high92.7Very high0 Ų041.7 Ų41.70%023%0.234CC..EExtended strand (participates in β ladder)trans-119142.9176.3-65.8172.6000109.6L786 I815 I818 V822 Q834 A835 L843 A846L786-L796 CarbonylContact O-C 3.58Å; L786-L796 WeakPolarHBondContact O-CA 3.35Å; L796-I815 HydrophobicContact CB-CD1 4.04Å; L796-I818 HydrophobicContact CD1-CD1 4.22Å; L796-I818 HydrophobicContact CD1-CG1 4.09Å; L796-V822 HydrophobicContact CD1-CG1 4.28Å; L796-V822 HydrophobicContact CD1-CG2 3.59Å; L796-V822 HydrophobicContact CG-CG2 4.32Å; L796-Q834 CarbonylContact O-C 3.56Å; L796-Q834 VanDerWaalsContact O-CA 3.25Å; L796-Q834 WeakPolarHBondContact O-CA 3.31Å; L796-A835 HydrophobicContact CB-CB 4.27Å; L796-A835 PolarHBondContact N-O 3.36Å; L796-A835 PolarHBondContact O-N 2.73Å; L796-L843 HydrophobicContact CD2-CD1 3.41Å; L796-L843 VanDerWaalsContact CD2-CD1 3.41Å; L796-A846 HydrophobicContact CD1-CB 4.45Å
797L96.7Very high92.5Very high0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-133.5132.2170.5-178.3149.6000109.1M765 L768 R769 A772 V785 L786 A799 M832 A833M765-L797 HydrophobicContact SD-CB 4.48Å; L768-L797 HydrophobicContact CB-CB 4.21Å; L768-L797 HydrophobicContact CB-CD1 4.06Å; L768-L797 HydrophobicContact CD1-CB 4.25Å; R769-L797 HydrophobicContact CB-CD1 4.32Å; R769-L797 HydrophobicContact CG-CD1 3.63Å; A772-L797 HydrophobicContact CB-CD1 4.27Å; A772-L797 HydrophobicContact CB-CD2 3.56Å; V785-L797 CarbonylContact C-O 3.51Å; V785-L797 VanDerWaalsContact CA-O 3.31Å; V785-L797 WeakPolarHBondContact CA-O 3.37Å; L786-L797 PolarHBondContact N-O 2.87Å; L786-L797 PolarHBondContact O-N 3.04Å; L797-A799 HydrophobicContact CD2-CB 4.15Å; L797-M832 HydrophobicContact CD1-SD 4.27Å; L797-A833 WeakPolarHBondContact CA-O 3.37Å
798A97.2Very high92.4Very high0 Ų050.2 Ų50.20%029%0.286CS..EExtended strand (participates in β ladder)trans-115.7136.3168.200000109.4L784 V785 A811 L814 I815 M832 A833L784-A798 CarbonylContact O-C 3.59Å; L784-A798 VanDerWaalsContact O-CA 3.27Å; L784-A798 WeakPolarHBondContact O-CA 3.15Å; V785-A798 HydrophobicContact CG2-CB 4.23Å; A798-A811 HydrophobicContact CB-CB 4.22Å; A798-L814 HydrophobicContact CB-CD2 4.23Å; A798-I815 HydrophobicContact CB-CD1 4.02Å; A798-I815 HydrophobicContact CB-CG1 3.77Å; A798-M832 CarbonylContact O-C 3.56Å; A798-M832 VanDerWaalsContact O-CA 3.3Å; A798-M832 WeakPolarHBondContact O-CA 3.38Å; A798-A833 PolarHBondContact N-O 3.44Å; A798-A833 PolarHBondContact O-N 2.85Å
799A96.6Very high92.4Very high5 Ų551.7 Ų51.74%0.04129%0.294CS..EExtended strand (participates in β ladder)trans-132.4146.7173.400000110.2A772 W775 L784 L797 D831A772-A799 HydrophobicContact CB-CB 4.24Å; W775-A799 HydrophobicContact CE3-CB 4.03Å; W775-A799 HydrophobicContact CH2-CB 4.32Å; W775-A799 HydrophobicContact CZ3-CB 3.61Å; L784-A799 HydrophobicContact CB-CB 4.42Å; L784-A799 PolarHBondContact N-O 2.93Å; L784-A799 PolarHBondContact O-N 3.31Å; L797-A799 HydrophobicContact CD2-CB 4.15Å; A799-D831 CarbonylContact C-O 3.58Å; A799-D831 VanDerWaalsContact CA-O 3.32Å; A799-D831 WeakPolarHBondContact CA-O 3.36Å
800M96.1Very high92.6Very high1 Ų154.9 Ų54.91%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-132141.8-176.3-68.8-168.1175.500111.4D782 V783 A804 L809 K810 A811 L814 D831 W853D782-M800 CarbonylContact O-C 3.5Å; D782-M800 WeakPolarHBondContact O-CA 3.38Å; V783-M800 HydrophobicContact CG1-CE 4.24Å; V783-M800 HydrophobicContact CG1-CG 4.35Å; V783-M800 HydrophobicContact CG2-CE 4.31Å; V783-M800 HydrophobicContact CG2-CG 4.2Å; M800-A804 HydrophobicContact CB-CB 4.16Å; M800-L809 HydrophobicContact CE-CB 3.99Å; M800-L809 VanDerWaalsContact SD-C 3.51Å; M800-L809 HydrophobicContact SD-CB 3.59Å; M800-L809 VanDerWaalsContact SD-CB 3.59Å; M800-K810 VanDerWaalsContact SD-CA 3.6Å; M800-K810 PolarHBondContact SD-N 2.91Å; M800-K810 VanDerWaalsContact SD-N 3.41Å; M800-A811 HydrophobicContact CG-CB 4.11Å; M800-A811 HydrophobicContact SD-CB 4.43Å; M800-A811 PolarHBondContact SD-N 3Å; M800-L814 HydrophobicContact CE-CB 3.94Å; M800-L814 HydrophobicContact CE-CD2 3.79Å; M800-D831 PolarHBondContact N-O 2.7Å; M800-W853 HydrophobicContact CE-CH2 4.2Å; M800-W853 HydrophobicContact CE-CZ3 4.06Å
801S94.4Very high93.2Very high18 Ų1851.4 Ų51.413%0.12629%0.288CS..  trans-70.2158.4175.380.90000110.1D782 A803 A804 N805D782-S801 PolarHBondContact O-N 2.8Å; D782-S801 PolarHBondContact OD1-OG 3.14Å; S801-A803 PolarHBondContact O-N 3.05Å; S801-A803 PolarHBondContact OG-N 3.14Å; S801-A804 WeakPolarHBondContact O-CB 3.39Å; S801-A804 PolarHBondContact O-N 2.94Å; S801-A804 PolarHBondContact OG-N 3.37Å; S801-A804 VanDerWaalsContact OG-N 3.09Å; S801-N805 PolarHBondContact O-N 3.28Å; S801-N805 VanDerWaalsContact O-N 3.12Å; S801-N805 PolarHBondContact O-ND2 3.13Å
802P91.4Very high93.6Very high86 Ų8648.4 Ų48.456%0.55826%0.258SS*.Hα-helixtrans-54.8-40.3172.3-26.435.5000112.7A804 N805 E806P802-A804 PolarHBondContact O-N 3.36Å; P802-N805 WeakPolarHBondContact O-CB 3.39Å; P802-N805 PolarHBondContact O-N 2.79Å; P802-E806 WeakPolarHBondContact O-CG 3.19Å; P802-E806 PolarHBondContact O-N 2.79Å
803A89.9Confident94Very high44 Ų4444 Ų4436%0.36424%0.239SC..Hα-helixtrans-65.1-36.9178.300000112.7S801 E806 K807S801-A803 PolarHBondContact O-N 3.05Å; S801-A803 PolarHBondContact OG-N 3.14Å; A803-E806 PolarHBondContact O-N 3.29Å; A803-K807 WeakPolarHBondContact O-CG 3.49Å; A803-K807 PolarHBondContact O-N 2.83Å; A803-K807 VanDerWaalsContact O-N 3.09Å
804A91.4Very high94.2Very high0 Ų037.4 Ų37.40%021%0.211CC..Hα-helixtrans-63.5-42.9173.600000111.6D782 V783 M800 S801 P802 K807 G808 L809D782-A804 HydrophobicContact CB-CB 4.1Å; D782-A804 WeakPolarHBondContact O-CB 3.27Å; V783-A804 HydrophobicContact CG2-CB 4.39Å; M800-A804 HydrophobicContact CB-CB 4.16Å; S801-A804 WeakPolarHBondContact O-CB 3.39Å; S801-A804 PolarHBondContact O-N 2.94Å; S801-A804 PolarHBondContact OG-N 3.37Å; S801-A804 VanDerWaalsContact OG-N 3.09Å; P802-A804 PolarHBondContact O-N 3.36Å; A804-K807 PolarHBondContact O-N 3.41Å; A804-G808 PolarHBondContact O-N 2.79Å; A804-L809 HydrophobicContact CB-CD1 4.26Å; A804-L809 WeakPolarHBondContact O-CB 3.46Å; A804-L809 PolarHBondContact O-N 3.38Å; A804-L809 VanDerWaalsContact O-N 3.09Å
805N93.6Very high94.3Very high41 Ų4137.4 Ų37.422%0.21921%0.211CC..Hα-helixtrans-64.6-39.3176.3-71.9-39.1000112.2S801 P802 K807 G808 L809 P830S801-N805 PolarHBondContact O-N 3.28Å; S801-N805 VanDerWaalsContact O-N 3.12Å; S801-N805 PolarHBondContact O-ND2 3.13Å; P802-N805 WeakPolarHBondContact O-CB 3.39Å; P802-N805 PolarHBondContact O-N 2.79Å; N805-K807 VanDerWaalsContact C-N 3.3Å; N805-K807 PolarHBondContact O-N 2.84Å; N805-G808 WeakPolarHBondContact O-CA 3.37Å; N805-G808 PolarHBondContact O-N 2.97Å; N805-L809 WeakPolarHBondContact CA-O 3.38Å; N805-L809 PolarHBondContact OD1-O 3.48Å; N805-P830 PolarHBondContact OD1-O 3.36Å
806E90.6Very high94.3Very high168 Ų16842.1 Ų42.179%0.78523%0.23SC*.Hα-helixtrans-64.6-32.7175.5-74.7174-169.600112.6P802 A803 G808P802-E806 WeakPolarHBondContact O-CG 3.19Å; P802-E806 PolarHBondContact O-N 2.79Å; A803-E806 PolarHBondContact O-N 3.29Å; E806-G808 PolarHBondContact O-N 3.21Å
807K89.4Confident94.2Very high126 Ų12643.8 Ų43.855%0.54824%0.243SC..THydrogen-bonded Turntrans-72-2.2169.7-69.7177-179.31770113.4G752 A803 A804 N805G752-K807 PolarHBondContact O-NZ 3.23Å; G752-K807 VanDerWaalsContact O-NZ 3.11Å; A803-K807 WeakPolarHBondContact O-CG 3.49Å; A803-K807 PolarHBondContact O-N 2.83Å; A803-K807 VanDerWaalsContact O-N 3.09Å; A804-K807 PolarHBondContact O-N 3.41Å; N805-K807 VanDerWaalsContact C-N 3.3Å; N805-K807 PolarHBondContact O-N 2.84Å
808G91.4Very high94.2Very high53 Ų5343.8 Ų43.855%0.54624%0.243SC..THydrogen-bonded Turntrans93.73176.700000115.3A804 N805 E806A804-G808 PolarHBondContact O-N 2.79Å; N805-G808 WeakPolarHBondContact O-CA 3.37Å; N805-G808 PolarHBondContact O-N 2.97Å; E806-G808 PolarHBondContact O-N 3.21Å
809L94.5Very high94Very high32 Ų3243.8 Ų43.817%0.16824%0.243CC..  trans-74144.8175.7-53179.2000110T753 V783 M800 A804 N805 W853 L854T753-L809 HydrophobicContact CG2-CD1 3.95Å; V783-L809 HydrophobicContact CG2-CD1 4.27Å; M800-L809 HydrophobicContact CE-CB 3.99Å; M800-L809 VanDerWaalsContact SD-C 3.51Å; M800-L809 HydrophobicContact SD-CB 3.59Å; M800-L809 VanDerWaalsContact SD-CB 3.59Å; A804-L809 HydrophobicContact CB-CD1 4.26Å; A804-L809 WeakPolarHBondContact O-CB 3.46Å; A804-L809 PolarHBondContact O-N 3.38Å; A804-L809 VanDerWaalsContact O-N 3.09Å; N805-L809 WeakPolarHBondContact CA-O 3.38Å; N805-L809 PolarHBondContact OD1-O 3.48Å; L809-W853 HydrophobicContact CB-CH2 4.42Å; L809-W853 HydrophobicContact CD2-CH2 3.98Å; L809-W853 HydrophobicContact CD2-CZ3 3.86Å; L809-L854 HydrophobicContact CD1-CD2 3.91Å; L809-L854 HydrophobicContact CD2-CD2 4.46Å
810K95.7Very high94Very high103 Ų10347.4 Ų47.445%0.44827%0.266SS..  trans-136.2129.2176.9-60-178.8-172.4165.80110.8M800 G812 D813 L814 P830M800-K810 VanDerWaalsContact SD-CA 3.6Å; M800-K810 PolarHBondContact SD-N 2.91Å; M800-K810 VanDerWaalsContact SD-N 3.41Å; K810-G812 PolarHBondContact O-N 2.95Å; K810-D813 HydrophobicContact CB-CB 4.36Å; K810-D813 PolarHBondContact O-N 3.44Å; K810-L814 PolarHBondContact O-N 2.85Å; K810-L814 VanDerWaalsContact O-N 3.17Å; K810-P830 HydrophobicContact CB-CB 4.5Å; K810-P830 HydrophobicContact CG-CB 4.26Å
811A96.5Very high93.9Very high0 Ų051.7 Ų51.70%029%0.285CS..Hα-helixtrans-58.7-36.8-179.200000112.4A798 M800 D813 L814 I815 P830 A833A798-A811 HydrophobicContact CB-CB 4.22Å; M800-A811 HydrophobicContact CG-CB 4.11Å; M800-A811 HydrophobicContact SD-CB 4.43Å; M800-A811 PolarHBondContact SD-N 3Å; A811-D813 VanDerWaalsContact C-N 3.33Å; A811-D813 PolarHBondContact O-N 3.15Å; A811-L814 PolarHBondContact O-N 3.19Å; A811-I815 PolarHBondContact O-N 3.38Å; A811-P830 VanDerWaalsContact CB-O 3.27Å; A811-P830 WeakPolarHBondContact CB-O 3.49Å; A811-P830 PolarHBondContact N-O 3.02Å; A811-A833 VanDerWaalsContact C-CB 3.49Å; A811-A833 HydrophobicContact CB-CB 3.96Å; A811-A833 WeakPolarHBondContact O-CB 3.23Å
812G95.6Very high93.9Very high7 Ų750.8 Ų50.87%0.07228%0.279CS..Hα-helixtrans-61.4-37.2175.800000113.9K810 K816K810-G812 PolarHBondContact O-N 2.95Å; G812-K816 WeakPolarHBondContact O-CG 3.23Å; G812-K816 PolarHBondContact O-N 2.98Å
813D95.6Very high93.9Very high68 Ų6849.3 Ų49.336%0.36428%0.279SS..Hα-helixtrans-75.8-37.7179.9-64.5-24.6000110.8K810 A811 K816 A817 W853K810-D813 HydrophobicContact CB-CB 4.36Å; K810-D813 PolarHBondContact O-N 3.44Å; A811-D813 VanDerWaalsContact C-N 3.33Å; A811-D813 PolarHBondContact O-N 3.15Å; D813-K816 PolarHBondContact O-N 3.1Å; D813-A817 PolarHBondContact O-N 3.34Å; D813-A817 VanDerWaalsContact O-N 3.14Å; D813-W853 HydrophobicContact CB-CZ2 4.12Å
814L95.9Very high94Very high0 Ų048.2 Ų48.20%027%0.272CS..Hα-helixtrans-62.2-45.7172.2179.557.2000111.9V783 V785 A798 M800 K810 A811 K816 A817 I818 V850 W853V783-L814 HydrophobicContact CG1-CD2 3.82Å; V785-L814 HydrophobicContact CG2-CD2 3.61Å; V785-L814 HydrophobicContact CG2-CG 4.46Å; A798-L814 HydrophobicContact CB-CD2 4.23Å; M800-L814 HydrophobicContact CE-CB 3.94Å; M800-L814 HydrophobicContact CE-CD2 3.79Å; K810-L814 PolarHBondContact O-N 2.85Å; K810-L814 VanDerWaalsContact O-N 3.17Å; A811-L814 PolarHBondContact O-N 3.19Å; L814-K816 VanDerWaalsContact C-N 3.29Å; L814-K816 PolarHBondContact O-N 3.04Å; L814-A817 WeakPolarHBondContact O-CB 3.27Å; L814-A817 PolarHBondContact O-N 3.2Å; L814-I818 HydrophobicContact CD1-CG2 4.05Å; L814-I818 WeakPolarHBondContact O-CG1 3.31Å; L814-I818 PolarHBondContact O-N 3.46Å; L814-I818 VanDerWaalsContact O-N 3.08Å; L814-V850 HydrophobicContact CD1-CB 4.5Å; L814-V850 HydrophobicContact CD1-CG1 4.24Å; L814-V850 HydrophobicContact CD1-CG2 4.32Å; L814-V850 HydrophobicContact CD2-CG1 4.24Å; L814-W853 HydrophobicContact CB-CE3 4.42Å; L814-W853 HydrophobicContact CB-CH2 4.33Å; L814-W853 HydrophobicContact CB-CZ2 4.44Å; L814-W853 HydrophobicContact CB-CZ3 4.31Å; L814-W853 HydrophobicContact CD1-CB 4.2Å; L814-W853 HydrophobicContact CD1-CD2 3.78Å; L814-W853 HydrophobicContact CD1-CE3 3.74Å; L814-W853 HydrophobicContact CD1-CG 3.98Å; L814-W853 HydrophobicContact CD1-CZ3 4.4Å
815I96.8Very high93.9Very high0 Ų050.9 Ų50.90%030%0.3CS..Hα-helixtrans-58.4-41.7175.8-80.5-69.9000111.5L796 A798 A811 A817 I818 A819 A833 A835L796-I815 HydrophobicContact CB-CD1 4.04Å; A798-I815 HydrophobicContact CB-CD1 4.02Å; A798-I815 HydrophobicContact CB-CG1 3.77Å; A811-I815 PolarHBondContact O-N 3.38Å; I815-A817 PolarHBondContact O-N 2.96Å; I815-I818 HydrophobicContact CD1-CD1 4.3Å; I815-I818 PolarHBondContact O-N 3.49Å; I815-A819 HydrophobicContact CG2-CB 4.43Å; I815-A819 WeakPolarHBondContact O-CB 3.29Å; I815-A819 PolarHBondContact O-N 2.96Å; I815-A833 HydrophobicContact CB-CB 4.08Å; I815-A833 HydrophobicContact CG1-CB 3.61Å; I815-A835 HydrophobicContact CD1-CB 4.3Å; I815-A835 HydrophobicContact CG2-CB 3.83Å
816K95.2Very high93.8Very high133 Ų13350.5 Ų50.558%0.57831%0.305SS*.Hα-helixtrans-63.6-30.6176.8-74.1172.3-176.8172.70112.7G812 D813 L814 P820G812-K816 WeakPolarHBondContact O-CG 3.23Å; G812-K816 PolarHBondContact O-N 2.98Å; D813-K816 PolarHBondContact O-N 3.1Å; L814-K816 VanDerWaalsContact C-N 3.29Å; L814-K816 PolarHBondContact O-N 3.04Å; K816-P820 VanDerWaalsContact O-CD 3.23Å; K816-P820 WeakPolarHBondContact O-CD 3.23Å; K816-P820 WeakPolarHBondContact O-CG 3.49Å
817A93.7Very high93.8Very high34 Ų3444 Ų4428%0.28128%0.284SS..Hα-helixtrans-74-39.6176.600000112.5D813 L814 I815 W853D813-A817 PolarHBondContact O-N 3.34Å; D813-A817 VanDerWaalsContact O-N 3.14Å; L814-A817 WeakPolarHBondContact O-CB 3.27Å; L814-A817 PolarHBondContact O-N 3.2Å; I815-A817 PolarHBondContact O-N 2.96Å; A817-W853 HydrophobicContact CB-CG 4.32Å
818I96Very high93.9Very high0 Ų040.6 Ų40.60%028%0.284CS..Hα-helixtrans-95.9-30-172.169.5175.3000114.4V785 L796 L814 I815 P820 K821 A846 E849 V850V785-I818 HydrophobicContact CG1-CD1 3.56Å; L796-I818 HydrophobicContact CD1-CD1 4.22Å; L796-I818 HydrophobicContact CD1-CG1 4.09Å; L814-I818 HydrophobicContact CD1-CG2 4.05Å; L814-I818 WeakPolarHBondContact O-CG1 3.31Å; L814-I818 PolarHBondContact O-N 3.46Å; L814-I818 VanDerWaalsContact O-N 3.08Å; I815-I818 HydrophobicContact CD1-CD1 4.3Å; I815-I818 PolarHBondContact O-N 3.49Å; I818-P820 VanDerWaalsContact C-CD 3.44Å; I818-K821 WeakPolarHBondContact O-CB 3.49Å; I818-K821 PolarHBondContact O-N 3.41Å; I818-K821 VanDerWaalsContact O-N 3.12Å; I818-A846 HydrophobicContact CB-CB 4.24Å; I818-A846 VanDerWaalsContact CG2-O 3.3Å; I818-A846 WeakPolarHBondContact CG2-O 3.48Å; I818-E849 HydrophobicContact CG2-CB 4.15Å; I818-E849 HydrophobicContact CG2-CG 4.34Å; I818-V850 HydrophobicContact CD1-CG2 4.37Å; I818-V850 HydrophobicContact CG2-CG2 4.05Å
819A94.7Very high94Very high0 Ų045.1 Ų45.10%028%0.284CS..G310 helixtrans-59.5-35.5-17700000114.6I815 K821 V822 G823 G824 A835I815-A819 HydrophobicContact CG2-CB 4.43Å; I815-A819 WeakPolarHBondContact O-CB 3.29Å; I815-A819 PolarHBondContact O-N 2.96Å; A819-K821 PolarHBondContact O-N 3.19Å; A819-V822 WeakPolarHBondContact O-CG2 3.14Å; A819-V822 PolarHBondContact O-N 2.85Å; A819-V822 VanDerWaalsContact O-N 3.12Å; A819-G823 PolarHBondContact O-N 3.45Å; A819-G824 CarbonylContact C-O 3.5Å; A819-G824 PolarHBondContact O-N 3.49Å; A819-A835 HydrophobicContact CB-CB 3.67Å
820P95.1Very high94Very high82 Ų8246.9 Ų46.953%0.53230%0.298SS..G310 helixtrans-58.8-29.9175.6-27.736.9000113.9K816 I818 V822 G823K816-P820 VanDerWaalsContact O-CD 3.23Å; K816-P820 WeakPolarHBondContact O-CD 3.23Å; K816-P820 WeakPolarHBondContact O-CG 3.49Å; I818-P820 VanDerWaalsContact C-CD 3.44Å; P820-V822 VanDerWaalsContact C-N 3.26Å; P820-V822 PolarHBondContact O-N 2.66Å; P820-G823 PolarHBondContact O-N 2.66Å
821K94.2Very high93.9Very high90 Ų9043.5 Ų43.539%0.39128%0.284SS..G310 helixtrans-64.3-32178.4-58.9-68.5-173.1170.10112.1I818 A819 G823 N839 G842 D845 A846I818-K821 WeakPolarHBondContact O-CB 3.49Å; I818-K821 PolarHBondContact O-N 3.41Å; I818-K821 VanDerWaalsContact O-N 3.12Å; A819-K821 PolarHBondContact O-N 3.19Å; K821-G823 VanDerWaalsContact C-N 3.32Å; K821-N839 PolarHBondContact O-ND2 3.47Å; K821-N839 VanDerWaalsContact O-ND2 3.16Å; K821-G842 WeakPolarHBondContact O-CA 3.42Å; K821-D845 HydrophobicContact CD-CB 4.49Å; K821-A846 HydrophobicContact CB-CB 3.89Å
822V94.4Very high94Very high0 Ų045.9 Ų45.90%030%0.296CS..G310 helixtrans-93.114.2174.5-60.10000113V794 L796 A819 P820 G824 G837 K838 N839 L843 A846V794-V822 HydrophobicContact CB-CB 4.19Å; V794-V822 HydrophobicContact CB-CG1 4.42Å; V794-V822 HydrophobicContact CG1-CB 4.17Å; V794-V822 HydrophobicContact CG1-CG1 3.9Å; V794-V822 HydrophobicContact CG1-CG2 4.48Å; V794-V822 HydrophobicContact CG2-CB 4.38Å; L796-V822 HydrophobicContact CD1-CG1 4.28Å; L796-V822 HydrophobicContact CD1-CG2 3.59Å; L796-V822 HydrophobicContact CG-CG2 4.32Å; A819-V822 WeakPolarHBondContact O-CG2 3.14Å; A819-V822 PolarHBondContact O-N 2.85Å; A819-V822 VanDerWaalsContact O-N 3.12Å; P820-V822 VanDerWaalsContact C-N 3.26Å; P820-V822 PolarHBondContact O-N 2.66Å; V822-G824 VanDerWaalsContact C-N 3.29Å; V822-G824 PolarHBondContact O-N 2.93Å; V822-G837 CarbonylContact O-C 3.57Å; V822-G837 VanDerWaalsContact O-CA 3.31Å; V822-G837 WeakPolarHBondContact O-CA 3.28Å; V822-K838 PolarHBondContact O-N 3.13Å; V822-N839 WeakPolarHBondContact O-CB 3.27Å; V822-N839 PolarHBondContact O-N 3.38Å; V822-L843 HydrophobicContact CG1-CB 4.24Å; V822-L843 HydrophobicContact CG1-CD1 4.43Å; V822-A846 HydrophobicContact CG1-CB 3.92Å
823G92.5Very high94Very high55 Ų5545.7 Ų45.757%0.56729%0.294SS*.THydrogen-bonded Turntrans63.735.8-179.500000112.6A819 P820 K821A819-G823 PolarHBondContact O-N 3.45Å; P820-G823 PolarHBondContact O-N 2.66Å; K821-G823 VanDerWaalsContact C-N 3.32Å
824G90.7Very high94.1Very high21 Ų2146 Ų4622%0.21629%0.293CS..  trans-131.7176.7-171.900000113.8A819 V822 G836A819-G824 CarbonylContact C-O 3.5Å; A819-G824 PolarHBondContact O-N 3.49Å; V822-G824 VanDerWaalsContact C-N 3.29Å; V822-G824 PolarHBondContact O-N 2.93Å; G824-G836 WeakPolarHBondContact CA-O 3.47Å
825G90.4Very high94.1Very high56 Ų5646.2 Ų46.258%0.57730%0.295SS*.EExtended strand (participates in β ladder)trans-139.815417400000110.2G836G825-G836 PolarHBondContact N-O 3.33Å
826G90.5Very high93.9Very high32 Ų3247.9 Ų47.933%0.3331%0.313SS..EExtended strand (participates in β ladder)trans-168.7-179.4-178.800000113.2Q834G826-Q834 VanDerWaalsContact CA-O 3.23Å; G826-Q834 WeakPolarHBondContact CA-O 3.37Å
827G91.2Very high93.8Very high33 Ų3342 Ų4234%0.3429%0.289SS..EExtended strand (participates in β ladder)trans-178177.7-177.300000111.3Q834G827-Q834 PolarHBondContact N-O 2.83Å; G827-Q834 VanDerWaalsContact N-O 3.09Å; G827-Q834 PolarHBondContact O-N 3.11Å
828G92Very high93.7Very high53 Ų5348.6 Ų48.655%0.54631%0.312SS..EExtended strand (participates in β ladder)trans166.4-164.2179.900000112M832G828-M832 CarbonylContact C-O 3.6Å
829R93.7Very high93.6Very high148 Ų14851.8 Ų51.856%0.55833%0.329SS*.  trans-78.9165.9-179-59.3-170.9-47.6-154.1-0.2110.5D831 M832R829-D831 WeakPolarHBondContact CB-OD1 3.32Å; R829-D831 IonicContact CZ-OD1 3.02Å; R829-D831 IonicContact CZ-OD2 2.6Å; R829-D831 IonicContact NE-OD1 2.99Å; R829-D831 PolarHBondContact NE-OD1 3.18Å; R829-D831 IonicContact NE-OD2 3.35Å; R829-D831 IonicContact NH2-OD1 2.77Å; R829-D831 PolarHBondContact NH2-OD1 2.8Å; R829-D831 IonicContact NH2-OD2 3.95Å; R829-D831 PolarHBondContact NH2-OD2 3.24Å; R829-D831 PolarHBondContact O-N 3.18Å; R829-M832 PolarHBondContact N-O 3.15Å; R829-M832 CarbonylContact O-C 3.35Å; R829-M832 PolarHBondContact O-N 2.93Å
830P93.4Very high93.4Very high69 Ų6954 Ų5445%0.44834%0.343SS..SBendtrans-53.1-38173-28.336.6000113.3N805 K810 A811N805-P830 PolarHBondContact OD1-O 3.36Å; K810-P830 HydrophobicContact CB-CB 4.5Å; K810-P830 HydrophobicContact CG-CB 4.26Å; A811-P830 VanDerWaalsContact CB-O 3.27Å; A811-P830 WeakPolarHBondContact CB-O 3.49Å; A811-P830 PolarHBondContact N-O 3.02Å
831D95Very high93.2Very high32 Ų3254.1 Ų54.117%0.17135%0.351CS..SBendtrans-84.7-22.7-177.672.5-43.7000115K776 A799 M800 R829K776-D831 IonicContact NZ-OD2 3.36Å; K776-D831 PolarHBondContact NZ-OD2 3.41Å; A799-D831 CarbonylContact C-O 3.58Å; A799-D831 VanDerWaalsContact CA-O 3.32Å; A799-D831 WeakPolarHBondContact CA-O 3.36Å; M800-D831 PolarHBondContact N-O 2.7Å; R829-D831 WeakPolarHBondContact CB-OD1 3.32Å; R829-D831 IonicContact CZ-OD1 3.02Å; R829-D831 IonicContact CZ-OD2 2.6Å; R829-D831 IonicContact NE-OD1 2.99Å; R829-D831 PolarHBondContact NE-OD1 3.18Å; R829-D831 IonicContact NE-OD2 3.35Å; R829-D831 IonicContact NH2-OD1 2.77Å; R829-D831 PolarHBondContact NH2-OD1 2.8Å; R829-D831 IonicContact NH2-OD2 3.95Å; R829-D831 PolarHBondContact NH2-OD2 3.24Å; R829-D831 PolarHBondContact O-N 3.18Å
832M96.9Very high93.2Very high51 Ų5149.9 Ų49.925%0.25133%0.333SS..EExtended strand (participates in β ladder)trans-158.8132.5-179.4-170.7175.567.800112.3R769 L797 A798 G828 R829R769-M832 HydrophobicContact CG-SD 4.44Å; L797-M832 HydrophobicContact CD1-SD 4.27Å; A798-M832 CarbonylContact O-C 3.56Å; A798-M832 VanDerWaalsContact O-CA 3.3Å; A798-M832 WeakPolarHBondContact O-CA 3.38Å; G828-M832 CarbonylContact C-O 3.6Å; R829-M832 PolarHBondContact N-O 3.15Å; R829-M832 CarbonylContact O-C 3.35Å; R829-M832 PolarHBondContact O-N 2.93Å
833A97.2Very high93.1Very high3 Ų350 Ų503%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-141.7159.4176.300000111.6L797 A798 A811 I815L797-A833 WeakPolarHBondContact CA-O 3.37Å; A798-A833 PolarHBondContact N-O 3.44Å; A798-A833 PolarHBondContact O-N 2.85Å; A811-A833 VanDerWaalsContact C-CB 3.49Å; A811-A833 HydrophobicContact CB-CB 3.96Å; A811-A833 WeakPolarHBondContact O-CB 3.23Å; I815-A833 HydrophobicContact CB-CB 4.08Å; I815-A833 HydrophobicContact CG1-CB 3.61Å
834Q96.9Very high93.1Very high74 Ų7450.5 Ų50.535%0.34633%0.333SS..EExtended strand (participates in β ladder)trans-141.8154.2-175.467.5-168.56.600111.6M765 R769 L796 G826 G827M765-Q834 HydrophobicContact CE-CB 3.92Å; M765-Q834 HydrophobicContact SD-CB 3.96Å; R769-Q834 VanDerWaalsContact NE-OE1 3.16Å; L796-Q834 CarbonylContact O-C 3.56Å; L796-Q834 VanDerWaalsContact O-CA 3.25Å; L796-Q834 WeakPolarHBondContact O-CA 3.31Å; G826-Q834 VanDerWaalsContact CA-O 3.23Å; G826-Q834 WeakPolarHBondContact CA-O 3.37Å; G827-Q834 PolarHBondContact N-O 2.83Å; G827-Q834 VanDerWaalsContact N-O 3.09Å; G827-Q834 PolarHBondContact O-N 3.11Å
835A95.4Very high93.2Very high4 Ų454.3 Ų54.33%0.03335%0.348CS..EExtended strand (participates in β ladder)trans-142.5155.4173.800000111.7N795 L796 I815 A819N795-A835 WeakPolarHBondContact CA-O 3.44Å; L796-A835 HydrophobicContact CB-CB 4.27Å; L796-A835 PolarHBondContact N-O 3.36Å; L796-A835 PolarHBondContact O-N 2.73Å; I815-A835 HydrophobicContact CD1-CB 4.3Å; I815-A835 HydrophobicContact CG2-CB 3.83Å; A819-A835 HydrophobicContact CB-CB 3.67Å
836G93.2Very high93.4Very high36 Ų3651.6 Ų51.637%0.37132%0.32SS..EExtended strand (participates in β ladder)trans-118.8144.9167.400000110.2V794 G824 G825V794-G836 CarbonylContact O-C 3.49Å; V794-G836 VanDerWaalsContact O-CA 3.31Å; V794-G836 WeakPolarHBondContact O-CA 3.13Å; G824-G836 WeakPolarHBondContact CA-O 3.47Å; G825-G836 PolarHBondContact N-O 3.33Å
837G93.2Very high93.5Very high8 Ų851 Ų518%0.08231%0.31CS..EExtended strand (participates in β ladder)trans-143.7172.618000000112.4K793 V794 V822K793-G837 WeakPolarHBondContact CA-O 3.45Å; V794-G837 PolarHBondContact N-O 3.48Å; V794-G837 PolarHBondContact O-N 3Å; V822-G837 CarbonylContact O-C 3.57Å; V822-G837 VanDerWaalsContact O-CA 3.31Å; V822-G837 WeakPolarHBondContact O-CA 3.28Å
838K92.4Very high93.6Very high174 Ų17452.2 Ų52.276%0.75732%0.316SS*.SBendtrans-124.310.5-178.4-64.8-177.5-179-178.90113.6E792 V822 P840E792-K838 CarbonylContact O-C 3.31Å; E792-K838 WeakPolarHBondContact O-CA 3.15Å; V822-K838 PolarHBondContact O-N 3.13Å; K838-P840 WeakPolarHBondContact O-CD 3.5Å
839N93.2Very high93.7Very high67 Ų6752.2 Ų52.236%0.35830%0.302SS..  trans-118.387.1178.1178.923.5000111.3K821 V822 A841 G842K821-N839 PolarHBondContact O-ND2 3.47Å; K821-N839 VanDerWaalsContact O-ND2 3.16Å; V822-N839 WeakPolarHBondContact O-CB 3.27Å; V822-N839 PolarHBondContact O-N 3.38Å; N839-A841 VanDerWaalsContact C-N 3.25Å; N839-A841 PolarHBondContact O-N 2.98Å; N839-A841 PolarHBondContact OD1-N 2.88Å; N839-G842 PolarHBondContact O-N 2.98Å; N839-G842 PolarHBondContact OD1-N 3.11Å
840P90.5Very high93.7Very high46 Ų4645.2 Ų45.230%0.29928%0.275SS..G310 helixtrans-56.5-35.1175.7-27.636.6000114.5V789 E792 V794 K838 G842 L843V789-P840 HydrophobicContact CG1-CB 3.73Å; V789-P840 HydrophobicContact CG1-CG 3.93Å; V789-P840 HydrophobicContact CG2-CB 4.12Å; E792-P840 WeakPolarHBondContact O-CD 3.45Å; V794-P840 VanDerWaalsContact CG2-CA 3.43Å; V794-P840 HydrophobicContact CG2-CB 4.16Å; V794-P840 HydrophobicContact CG2-CG 3.99Å; K838-P840 WeakPolarHBondContact O-CD 3.5Å; P840-G842 PolarHBondContact O-N 3.46Å; P840-L843 WeakPolarHBondContact O-CB 3.28Å; P840-L843 PolarHBondContact O-N 3.38Å; P840-L843 VanDerWaalsContact O-N 3.15Å
841A91.2Very high93.6Very high84 Ų8443.7 Ų43.769%0.69427%0.269SS*.G310 helixtrans-64.4-28.7-179.400000112.4N839 L843N839-A841 VanDerWaalsContact C-N 3.25Å; N839-A841 PolarHBondContact O-N 2.98Å; N839-A841 PolarHBondContact OD1-N 2.88Å; A841-L843 VanDerWaalsContact C-N 3.29Å; A841-L843 PolarHBondContact O-N 3.45Å
842G93.2Very high93.4Very high2 Ų247.1 Ų47.12%0.02129%0.287CS..G310 helixtrans-80.4-1.6178.100000114.8K821 N839 P840 D845 A846K821-G842 WeakPolarHBondContact O-CA 3.42Å; N839-G842 PolarHBondContact O-N 2.98Å; N839-G842 PolarHBondContact OD1-N 3.11Å; P840-G842 PolarHBondContact O-N 3.46Å; G842-D845 PolarHBondContact O-N 2.87Å; G842-A846 WeakPolarHBondContact O-CB 3.29Å; G842-A846 PolarHBondContact O-N 3.4Å
843L92.3Very high93.3Very high1 Ų148.4 Ų48.41%0.00529%0.289CS..Hα-helixtrans-65.9-40.3-17817758.2000112.2Q759 V789 V794 L796 V822 P840 A841 D845 A846 L847Q759-L843 HydrophobicContact CB-CD2 4.13Å; Q759-L843 HydrophobicContact CG-CD2 3.71Å; V789-L843 HydrophobicContact CG2-CD2 3.64Å; V794-L843 HydrophobicContact CG1-CB 4.41Å; V794-L843 HydrophobicContact CG1-CD1 4.03Å; V794-L843 HydrophobicContact CG1-CD2 4.34Å; V794-L843 HydrophobicContact CG1-CG 4.5Å; L796-L843 HydrophobicContact CD2-CD1 3.41Å; L796-L843 VanDerWaalsContact CD2-CD1 3.41Å; V822-L843 HydrophobicContact CG1-CB 4.24Å; V822-L843 HydrophobicContact CG1-CD1 4.43Å; P840-L843 WeakPolarHBondContact O-CB 3.28Å; P840-L843 PolarHBondContact O-N 3.38Å; P840-L843 VanDerWaalsContact O-N 3.15Å; A841-L843 VanDerWaalsContact C-N 3.29Å; A841-L843 PolarHBondContact O-N 3.45Å; L843-D845 VanDerWaalsContact C-N 3.33Å; L843-D845 PolarHBondContact O-N 2.94Å; L843-A846 WeakPolarHBondContact O-CB 3.43Å; L843-A846 PolarHBondContact O-N 2.98Å; L843-L847 HydrophobicContact CD1-CD1 4.32Å; L843-L847 HydrophobicContact CD1-CG 4.15Å; L843-L847 HydrophobicContact CG-CD1 4.37Å; L843-L847 WeakPolarHBondContact O-CG 3.33Å; L843-L847 PolarHBondContact O-N 2.97Å
844A92.5Very high92.9Very high67 Ų6748.9 Ų48.955%0.55429%0.291SS*.Hα-helixtrans-61.3-43.717700000111.3L847 A848A844-L847 PolarHBondContact O-N 3.44Å; A844-A848 WeakPolarHBondContact O-CB 3.4Å; A844-A848 PolarHBondContact O-N 2.98Å
845D93.9Very high92.4Very high100 Ų10050.3 Ų50.354%0.53532%0.316SS..Hα-helixtrans-64.8-39.9175.9-65-25.3000111.7K821 G842 L843 L847 A848 E849K821-D845 HydrophobicContact CD-CB 4.49Å; G842-D845 PolarHBondContact O-N 2.87Å; L843-D845 VanDerWaalsContact C-N 3.33Å; L843-D845 PolarHBondContact O-N 2.94Å; D845-L847 VanDerWaalsContact C-N 3.34Å; D845-L847 PolarHBondContact O-N 2.83Å; D845-A848 PolarHBondContact O-N 3.33Å; D845-E849 VanDerWaalsContact O-CB 3.32Å; D845-E849 WeakPolarHBondContact O-CB 3.36Å; D845-E849 PolarHBondContact O-N 3.42Å
846A94.4Very high92.3Very high0 Ų052.7 Ų52.70%033%0.33CS..Hα-helixtrans-60.7-42.217600000112.1L796 I818 K821 V822 G842 L843L796-A846 HydrophobicContact CD1-CB 4.45Å; I818-A846 HydrophobicContact CB-CB 4.24Å; I818-A846 VanDerWaalsContact CG2-O 3.3Å; I818-A846 WeakPolarHBondContact CG2-O 3.48Å; K821-A846 HydrophobicContact CB-CB 3.89Å; V822-A846 HydrophobicContact CG1-CB 3.92Å; G842-A846 WeakPolarHBondContact O-CB 3.29Å; G842-A846 PolarHBondContact O-N 3.4Å; L843-A846 WeakPolarHBondContact O-CB 3.43Å; L843-A846 PolarHBondContact O-N 2.98Å
847L93Very high92.2Very high20 Ų2053.5 Ų53.511%0.10533%0.328CS..Hα-helixtrans-72.1-37.4177.8-66.8176.2000112Q759 V785 L843 A844 D845 E849 V850Q759-L847 HydrophobicContact CB-CD1 4.26Å; V785-L847 HydrophobicContact CB-CD2 4.41Å; V785-L847 HydrophobicContact CG1-CD2 3.84Å; L843-L847 HydrophobicContact CD1-CD1 4.32Å; L843-L847 HydrophobicContact CD1-CG 4.15Å; L843-L847 HydrophobicContact CG-CD1 4.37Å; L843-L847 WeakPolarHBondContact O-CG 3.33Å; L843-L847 PolarHBondContact O-N 2.97Å; A844-L847 PolarHBondContact O-N 3.44Å; D845-L847 VanDerWaalsContact C-N 3.34Å; D845-L847 PolarHBondContact O-N 2.83Å; L847-E849 VanDerWaalsContact C-N 3.35Å; L847-V850 WeakPolarHBondContact O-CB 3.47Å; L847-V850 WeakPolarHBondContact O-CG2 3.19Å; L847-V850 PolarHBondContact O-N 2.71Å
848A92.6Very high92.2Very high58 Ų5856.1 Ų56.148%0.47934%0.342SS..Hα-helixtrans-66.7-36.4175.600000112.3A844 D845 V850 A851A844-A848 WeakPolarHBondContact O-CB 3.4Å; A844-A848 PolarHBondContact O-N 2.98Å; D845-A848 PolarHBondContact O-N 3.33Å; A848-V850 PolarHBondContact O-N 2.98Å; A848-A851 WeakPolarHBondContact O-CB 3.47Å; A848-A851 PolarHBondContact O-N 2.72Å
849E94.3Very high92.2Very high53 Ų5349.1 Ų49.125%0.24832%0.317CS..Hα-helixtrans-62-23.2178.6-169.762.6-160.600112.8I818 D845 L847 A851 N852 W853I818-E849 HydrophobicContact CG2-CB 4.15Å; I818-E849 HydrophobicContact CG2-CG 4.34Å; D845-E849 VanDerWaalsContact O-CB 3.32Å; D845-E849 WeakPolarHBondContact O-CB 3.36Å; D845-E849 PolarHBondContact O-N 3.42Å; L847-E849 VanDerWaalsContact C-N 3.35Å; E849-A851 PolarHBondContact O-N 3.16Å; E849-N852 PolarHBondContact O-N 3.15Å; E849-N852 PolarHBondContact OE2-ND2 3.13Å; E849-W853 WeakPolarHBondContact O-CB 3.29Å; E849-W853 PolarHBondContact O-N 3.02Å
850V93.7Very high92.1Very high0 Ų048 Ų480%032%0.315CS..Hα-helixtrans-58-39.9173.4-177.80000111.1V755 T757 V785 L814 I818 L847 A848 W853 L854V755-V850 HydrophobicContact CG2-CG1 3.9Å; T757-V850 HydrophobicContact CG2-CB 3.84Å; T757-V850 HydrophobicContact CG2-CG1 3.82Å; T757-V850 HydrophobicContact CG2-CG2 4Å; V785-V850 HydrophobicContact CB-CG2 4.07Å; V785-V850 HydrophobicContact CG1-CG2 4.07Å; V785-V850 HydrophobicContact CG2-CG1 3.94Å; V785-V850 HydrophobicContact CG2-CG2 3.79Å; L814-V850 HydrophobicContact CD1-CB 4.5Å; L814-V850 HydrophobicContact CD1-CG1 4.24Å; L814-V850 HydrophobicContact CD1-CG2 4.32Å; L814-V850 HydrophobicContact CD2-CG1 4.24Å; I818-V850 HydrophobicContact CD1-CG2 4.37Å; I818-V850 HydrophobicContact CG2-CG2 4.05Å; L847-V850 WeakPolarHBondContact O-CB 3.47Å; L847-V850 WeakPolarHBondContact O-CG2 3.19Å; L847-V850 PolarHBondContact O-N 2.71Å; A848-V850 PolarHBondContact O-N 2.98Å; V850-W853 PolarHBondContact O-N 2.87Å; V850-L854 HydrophobicContact CG1-CD1 4.03Å; V850-L854 WeakPolarHBondContact O-CB 3.3Å; V850-L854 VanDerWaalsContact O-CG 3.32Å; V850-L854 WeakPolarHBondContact O-CG 3.01Å; V850-L854 PolarHBondContact O-N 2.97Å; V850-L854 VanDerWaalsContact O-N 3.11Å
851A90.9Very high92.2Very high38 Ų3848.1 Ų48.131%0.31432%0.316SS..Hα-helixtrans-67.5-40.4178.600000112I750 A848 E849 L854 A855I750-A851 VanDerWaalsContact CD1-CA 3.5Å; I750-A851 HydrophobicContact CD1-CB 3.44Å; I750-A851 VanDerWaalsContact CD1-CB 3.44Å; A848-A851 WeakPolarHBondContact O-CB 3.47Å; A848-A851 PolarHBondContact O-N 2.72Å; E849-A851 PolarHBondContact O-N 3.16Å; A851-L854 PolarHBondContact O-N 3.02Å; A851-A855 WeakPolarHBondContact O-CB 3.49Å; A851-A855 PolarHBondContact O-N 3.26Å; A851-A855 VanDerWaalsContact O-N 3.12Å
852N91.5Very high92.3Very high103 Ų10345.6 Ų45.655%0.55129%0.289SS*.Hα-helixtrans-66.9-36.9176.5-64.3-27.4000112E849 L854E849-N852 PolarHBondContact O-N 3.15Å; E849-N852 PolarHBondContact OE2-ND2 3.13Å; N852-L854 VanDerWaalsContact C-N 3.34Å
853W93.3Very high92.2Very high78 Ų7848.9 Ų48.930%0.29531%0.309SS..Hα-helixtrans-71.4-29.7178.9-173.690.4000112.7M800 L809 D813 L814 A817 E849 V850M800-W853 HydrophobicContact CE-CH2 4.2Å; M800-W853 HydrophobicContact CE-CZ3 4.06Å; L809-W853 HydrophobicContact CB-CH2 4.42Å; L809-W853 HydrophobicContact CD2-CH2 3.98Å; L809-W853 HydrophobicContact CD2-CZ3 3.86Å; D813-W853 HydrophobicContact CB-CZ2 4.12Å; L814-W853 HydrophobicContact CB-CE3 4.42Å; L814-W853 HydrophobicContact CB-CH2 4.33Å; L814-W853 HydrophobicContact CB-CZ2 4.44Å; L814-W853 HydrophobicContact CB-CZ3 4.31Å; L814-W853 HydrophobicContact CD1-CB 4.2Å; L814-W853 HydrophobicContact CD1-CD2 3.78Å; L814-W853 HydrophobicContact CD1-CE3 3.74Å; L814-W853 HydrophobicContact CD1-CG 3.98Å; L814-W853 HydrophobicContact CD1-CZ3 4.4Å; A817-W853 HydrophobicContact CB-CG 4.32Å; E849-W853 WeakPolarHBondContact O-CB 3.29Å; E849-W853 PolarHBondContact O-N 3.02Å; V850-W853 PolarHBondContact O-N 2.87Å
854L90.1Very high92.2Very high13 Ų1352.9 Ų52.97%0.06834%0.335CS..Hα-helixtrans-84.6-21.3177.2-72.1173.4000114.2I750 T753 V755 V783 L809 V850 A851 N852I750-L854 HydrophobicContact CB-CB 4.34Å; I750-L854 HydrophobicContact CG2-CB 3.97Å; T753-L854 HydrophobicContact CG2-CD2 4.42Å; V755-L854 HydrophobicContact CB-CD1 3.81Å; V755-L854 HydrophobicContact CG1-CD1 3.98Å; V755-L854 HydrophobicContact CG2-CD1 3.9Å; V783-L854 HydrophobicContact CG2-CD2 4.44Å; L809-L854 HydrophobicContact CD1-CD2 3.91Å; L809-L854 HydrophobicContact CD2-CD2 4.46Å; V850-L854 HydrophobicContact CG1-CD1 4.03Å; V850-L854 WeakPolarHBondContact O-CB 3.3Å; V850-L854 VanDerWaalsContact O-CG 3.32Å; V850-L854 WeakPolarHBondContact O-CG 3.01Å; V850-L854 PolarHBondContact O-N 2.97Å; V850-L854 VanDerWaalsContact O-N 3.11Å; A851-L854 PolarHBondContact O-N 3.02Å; N852-L854 VanDerWaalsContact C-N 3.34Å
855A86.5Confident92.2Very high105 Ų10551.6 Ų51.687%0.86832%0.315SS*.  trans-74.60177.400000110.8I750 N751 A851I750-A855 HydrophobicContact CG2-CB 4.29Å; N751-A855 PolarHBondContact ND2-O 3.19Å; A851-A855 WeakPolarHBondContact O-CB 3.49Å; A851-A855 PolarHBondContact O-N 3.26Å; A851-A855 VanDerWaalsContact O-N 3.12Å

Retrieved 855 of 855 residues in 2344.7 ms (Link to these results)

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