A0A024DAE5_HUMAN Loading...

Integrin beta

AlphaFold DB , UniProt , Accession A0A024DAE5, Species HUMAN (Homo sapiens, Human), Gene ITGB2, Length 80 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
1F97.7Very high98Very high85 Ų8562.1 Ų62.137%0.37334%0.344SS..  01370175.6-99000109.5V40 L41 F50 V54 Q57F1-V40 HydrophobicContact CD1-CB 3.88Å; F1-V40 HydrophobicContact CD1-CG1 4.11Å; F1-V40 HydrophobicContact CD1-CG2 4.35Å; F1-V40 HydrophobicContact CE1-CB 4.33Å; F1-V40 HydrophobicContact CE1-CG2 4.33Å; F1-V40 PolarHBondContact O-N 3.04Å; F1-L41 HydrophobicContact CB-CB 4.21Å; F1-L41 PolarHBondContact N-O 2.88Å; F1-L41 PolarHBondContact O-N 3.28Å; F1-F50 HydrophobicContact CB-CD2 4.4Å; F1-F50 HydrophobicContact CB-CE2 3.94Å; F1-F50 HydrophobicContact CD2-CE2 4.43Å; F1-F50 HydrophobicContact CG-CE2 4.43Å; F1-V54 HydrophobicContact CD1-CG2 4.15Å; F1-V54 HydrophobicContact CD2-CG2 4.16Å; F1-V54 HydrophobicContact CE1-CG2 4.36Å; F1-V54 HydrophobicContact CE2-CG2 4.33Å; F1-V54 HydrophobicContact CG-CG2 4.08Å; F1-V54 HydrophobicContact CZ-CG2 4.43Å; F1-Q57 HydrophobicContact CE1-CG 3.85Å; F1-Q57 HydrophobicContact CZ-CG 4.39Å
2G98Very high98Very high30 Ų3062.5 Ų62.531%0.30934%0.34SS..EExtended strand (participates in β ladder)trans-146.6162.6172.700000109.1R38G2-R38 CarbonylContact C-O 3.54Å; G2-R38 WeakPolarHBondContact CA-O 3.23Å
3S98.3Very high98Very high22 Ų2257.8 Ų57.815%0.15431%0.314CS..EExtended strand (participates in β ladder)trans-128.3160.6-179.552.90000110.4F35 F37 R38S3-F35 WeakPolarHBondContact O-CE2 3.46Å; S3-F35 WeakPolarHBondContact OG-CZ 3.36Å; S3-F37 WeakPolarHBondContact O-CD2 3.42Å; S3-R38 PolarHBondContact N-O 3.02Å; S3-R38 PolarHBondContact O-N 3.3Å
4F98.6Very high97.9Very high96 Ų9658.4 Ų58.442%0.42132%0.317SS..EExtended strand (participates in β ladder)trans-149.8158.7-17970.8-93.5000111A36 E67 T72F4-A36 VanDerWaalsContact CA-O 3.31Å; F4-A36 WeakPolarHBondContact CA-O 3.41Å; F4-A36 VanDerWaalsContact CB-O 3.24Å; F4-A36 WeakPolarHBondContact CB-O 3.44Å; F4-E67 HydrophobicContact CE2-CB 4.08Å; F4-T72 HydrophobicContact CB-CG2 4.23Å; F4-T72 WeakPolarHBondContact CB-OG1 3.46Å; F4-T72 HydrophobicContact CD1-CG2 4.08Å; F4-T72 HydrophobicContact CG-CG2 4.44Å
5V98.4Very high97.9Very high13 Ų1358.3 Ų58.38%0.07932%0.319CS..  trans-131.3-94.3168.7-171.20000107.2F35 A36 N62 G68V5-F35 VanDerWaalsContact CB-O 3.28Å; V5-F35 WeakPolarHBondContact CB-O 3.43Å; V5-F35 HydrophobicContact CG2-CD1 3.97Å; V5-F35 HydrophobicContact CG2-CE1 3.71Å; V5-F35 HydrophobicContact CG2-CZ 4.08Å; V5-F35 PolarHBondContact N-O 3.26Å; V5-F35 VanDerWaalsContact N-O 3.14Å; V5-A36 PolarHBondContact N-O 3.15Å; V5-N62 HydrophobicContact CG1-CB 3.94Å; V5-G68 PolarHBondContact O-N 2.99Å
6D98.6Very high97.9Very high11 Ų1160.9 Ų60.96%0.05933%0.328CS..  trans-157176.6174.1-145.7-33.6000110.7T8 F12 F35 A36 N62 E67 G68D6-T8 PolarHBondContact O-N 2.94Å; D6-F12 HydrophobicContact CB-CB 4.32Å; D6-F35 PolarHBondContact N-O 3.33Å; D6-F35 CarbonylContact O-C 3.2Å; D6-F35 VanDerWaalsContact O-C 3.27Å; D6-A36 VanDerWaalsContact O-CA 3.3Å; D6-A36 WeakPolarHBondContact O-CA 3.29Å; D6-A36 PolarHBondContact O-N 3.5Å; D6-N62 HydrophobicContact CB-CB 4.44Å; D6-E67 WeakPolarHBondContact OD2-CA 3.34Å; D6-G68 PolarHBondContact OD2-N 3.1Å
7K98.4Very high97.8Very high90 Ų9061.9 Ų61.939%0.39134%0.339SS..  trans-58.5132.6173.7-62.5-176-173-62.90109.9V9 F12 D71K7-V9 HydrophobicContact CB-CG2 4.24Å; K7-V9 PolarHBondContact O-N 3.43Å; K7-F12 HydrophobicContact CB-CD2 3.98Å; K7-F12 HydrophobicContact CB-CE2 4.49Å; K7-D71 IonicContact NZ-OD1 2.67Å; K7-D71 IonicContact NZ-OD2 3.71Å; K7-D71 PolarHBondContact NZ-OD2 2.97Å
8T98.1Very high97.6Very high71 Ų7164.2 Ų64.244%0.43635%0.35SS..SBendtrans-82.644.3-174.6600000113D6 P34D6-T8 PolarHBondContact O-N 2.94Å; T8-P34 HydrophobicContact CG2-CB 4.34Å; T8-P34 HydrophobicContact CG2-CG 4.44Å; T8-P34 VanDerWaalsContact CG2-O 3.29Å; T8-P34 WeakPolarHBondContact CG2-O 3.4Å
9V98.3Very high97.4Very high77 Ų7765.1 Ų65.147%0.46735%0.35SS..SBendtrans-131.1155.5177.4-61.60000110.4K7 F12 V13K7-V9 HydrophobicContact CB-CG2 4.24Å; K7-V9 PolarHBondContact O-N 3.43Å; V9-F12 HydrophobicContact CG2-CD2 3.76Å; V9-F12 HydrophobicContact CG2-CE2 4.01Å; V9-F12 PolarHBondContact O-N 3.35Å; V9-V13 PolarHBondContact O-N 3.27Å; V9-V13 VanDerWaalsContact O-N 3.12Å
10L96.5Very high97.3Very high102 Ų10264.8 Ų64.853%0.53435%0.349SS..THydrogen-bonded Turntrans-66.4144.9170.4-81.3164.9000110.3V13 T15 L63L10-V13 WeakPolarHBondContact CD2-O 3.49Å; L10-V13 WeakPolarHBondContact CG-O 3.41Å; L10-T15 HydrophobicContact CD1-CG2 4.49Å; L10-T15 VanDerWaalsContact CD1-OG1 3.23Å; L10-T15 WeakPolarHBondContact CD1-OG1 3.38Å; L10-T15 HydrophobicContact CG-CG2 3.99Å; L10-L63 HydrophobicContact CD2-CD2 4.41Å
11P97.4Very high97.2Very high86 Ų8670.7 Ų70.756%0.55837%0.366SS*.THydrogen-bonded Turncis-90.55.83.236.9-35.9000114.8L63P11-L63 WeakPolarHBondContact O-CD2 3.15Å
12F97.9Very high97.1Very high67 Ų6768.4 Ų68.429%0.29436%0.358SS..THydrogen-bonded Turntrans-69.4-39-176.2-46.3-67.6000112.2D6 K7 V9 N62 L63 D64D6-F12 HydrophobicContact CB-CB 4.32Å; K7-F12 HydrophobicContact CB-CD2 3.98Å; K7-F12 HydrophobicContact CB-CE2 4.49Å; V9-F12 HydrophobicContact CG2-CD2 3.76Å; V9-F12 HydrophobicContact CG2-CE2 4.01Å; V9-F12 PolarHBondContact O-N 3.35Å; F12-N62 WeakPolarHBondContact O-CB 3.45Å; F12-L63 WeakPolarHBondContact O-CB 3.41Å; F12-L63 PolarHBondContact O-N 3.4Å; F12-D64 VanDerWaalsContact CA-OD1 3.27Å; F12-D64 WeakPolarHBondContact CA-OD1 3.32Å; F12-D64 VanDerWaalsContact O-OD1 3.1Å
13V97.6Very high96.9Very high2 Ų268.1 Ų68.11%0.01235%0.35CS..SBendtrans-125.4154.2174.6-56.20000111.6V9 L10 T15 L20 P34 N62V9-V13 PolarHBondContact O-N 3.27Å; V9-V13 VanDerWaalsContact O-N 3.12Å; L10-V13 WeakPolarHBondContact CD2-O 3.49Å; L10-V13 WeakPolarHBondContact CG-O 3.41Å; V13-T15 HydrophobicContact CG2-CG2 4.1Å; V13-T15 PolarHBondContact O-N 3.24Å; V13-L20 HydrophobicContact CG2-CD2 4.45Å; V13-P34 HydrophobicContact CB-CG 4.34Å; V13-P34 HydrophobicContact CG1-CB 3.8Å; V13-P34 HydrophobicContact CG1-CG 4.12Å; V13-N62 HydrophobicContact CG1-CB 3.82Å
14N97.1Very high96.7Very high65 Ų6567.7 Ų67.735%0.34835%0.347SS..  trans-77.9108.2170-172.2-30000110.5H16 K19N14-H16 PolarHBondContact O-N 3.09Å; N14-H16 WeakPolarHBondContact OD1-CB 3.37Å; N14-H16 PolarHBondContact OD1-N 3.23Å; N14-K19 HydrophobicContact CB-CB 3.94Å; N14-K19 HydrophobicContact CB-CG 4.31Å
15T97.9Very high96.2Very high57 Ų5769 Ų6935%0.3537%0.365SS..  trans-81.78.8-177.359.30000114.2L10 V13L10-T15 HydrophobicContact CD1-CG2 4.49Å; L10-T15 VanDerWaalsContact CD1-OG1 3.23Å; L10-T15 WeakPolarHBondContact CD1-OG1 3.38Å; L10-T15 HydrophobicContact CG-CG2 3.99Å; V13-T15 HydrophobicContact CG2-CG2 4.1Å; V13-T15 PolarHBondContact O-N 3.24Å
16H97.4Very high95.6Very high101 Ų10171.8 Ų71.847%0.46838%0.38SS..SBendtrans-60.7133.5169.8-170.3-84.2000109.4N14 D18 K19 L20N14-H16 PolarHBondContact O-N 3.09Å; N14-H16 WeakPolarHBondContact OD1-CB 3.37Å; N14-H16 PolarHBondContact OD1-N 3.23Å; H16-D18 VanDerWaalsContact C-N 3.27Å; H16-D18 IonicContact CE1-OD2 3.33Å; H16-D18 PolarHBondContact CE1-OD2 3.29Å; H16-D18 PolarHBondContact ND1-N 3.35Å; H16-D18 IonicContact ND1-OD2 3.73Å; H16-D18 PolarHBondContact O-N 3.48Å; H16-D18 VanDerWaalsContact O-N 3.09Å; H16-K19 HydrophobicContact CB-CB 4.33Å; H16-K19 HydrophobicContact CB-CG 4.34Å; H16-K19 WeakPolarHBondContact O-CA 3.36Å; H16-K19 PolarHBondContact O-N 2.94Å; H16-L20 PolarHBondContact O-N 3.44Å
17P96.6Very high94.4Very high78 Ų7879.7 Ų79.751%0.50641%0.414SS..Hα-helixtrans-51.7-40.8-172.4-30.735.8000114.7K19 L20 R21P17-K19 VanDerWaalsContact C-N 3.33Å; P17-K19 PolarHBondContact O-N 3.36Å; P17-L20 PolarHBondContact O-N 3.04Å; P17-R21 WeakPolarHBondContact O-CG 3.16Å; P17-R21 PolarHBondContact O-N 3.37Å
18D94.1Very high92.8Very high103 Ų10384 Ų8455%0.55144%0.435SS*.Hα-helixtrans-66.9-34177.8-62.1-31000113.2H16 R21 N22H16-D18 VanDerWaalsContact C-N 3.27Å; H16-D18 IonicContact CE1-OD2 3.33Å; H16-D18 PolarHBondContact CE1-OD2 3.29Å; H16-D18 PolarHBondContact ND1-N 3.35Å; H16-D18 IonicContact ND1-OD2 3.73Å; H16-D18 PolarHBondContact O-N 3.48Å; H16-D18 VanDerWaalsContact O-N 3.09Å; D18-R21 PolarHBondContact O-N 3.36Å; D18-N22 PolarHBondContact O-N 3Å
19K94.6Very high91.7Very high80 Ų8086.9 Ų86.935%0.34844%0.442SS..Hα-helixtrans-80-27.4179.3-68-63.7-172.1175.90112.5N14 H16 P17 R21 N22 P23N14-K19 HydrophobicContact CB-CB 3.94Å; N14-K19 HydrophobicContact CB-CG 4.31Å; H16-K19 HydrophobicContact CB-CB 4.33Å; H16-K19 HydrophobicContact CB-CG 4.34Å; H16-K19 WeakPolarHBondContact O-CA 3.36Å; H16-K19 PolarHBondContact O-N 2.94Å; P17-K19 VanDerWaalsContact C-N 3.33Å; P17-K19 PolarHBondContact O-N 3.36Å; K19-R21 VanDerWaalsContact C-N 3.33Å; K19-N22 CarbonylContact O-C 3.27Å; K19-P23 WeakPolarHBondContact O-CA 3.35Å
20L95.5Very high91Very high60 Ų6090.8 Ų90.831%0.31446%0.455SS..Hα-helixtrans-67.4-35.3167.9-70.6176.1000111.9V13 H16 P17 P33 P34V13-L20 HydrophobicContact CG2-CD2 4.45Å; H16-L20 PolarHBondContact O-N 3.44Å; P17-L20 PolarHBondContact O-N 3.04Å; L20-P33 WeakPolarHBondContact O-CA 3.3Å; L20-P33 WeakPolarHBondContact O-CB 3.28Å; L20-P34 HydrophobicContact CD2-CG 4.07Å
21R94.3Very high90.8Very high188 Ų18886.8 Ų86.871%0.70944%0.435SS*.Hα-helixtrans-73.8-39.6175.9-67.6177.9-167.5-174.54.4112.4P17 D18 K19P17-R21 WeakPolarHBondContact O-CG 3.16Å; P17-R21 PolarHBondContact O-N 3.37Å; D18-R21 PolarHBondContact O-N 3.36Å; K19-R21 VanDerWaalsContact C-N 3.33Å
22N94.9Very high90.7Very high38 Ų3883.8 Ų83.820%0.20341%0.414CS..  trans-140.195.8176.6-172.9-8.7000110.3D18 K19 C24 C31D18-N22 PolarHBondContact O-N 3Å; K19-N22 CarbonylContact O-C 3.27Å; N22-C24 VanDerWaalsContact C-N 3.28Å; N22-C24 PolarHBondContact O-N 2.67Å; N22-C24 WeakPolarHBondContact OD1-CB 3.29Å; N22-C24 PolarHBondContact OD1-N 2.9Å; N22-C31 WeakPolarHBondContact OD1-CB 3.35Å
23P95.4Very high90.7Very high24 Ų2483.9 Ų83.916%0.15642%0.421CS..  trans-76.5-17.7-179.129.9-35.1000112.7K19 Q32 G61K19-P23 WeakPolarHBondContact O-CA 3.35Å; P23-Q32 WeakPolarHBondContact CG-O 3Å; P23-G61 WeakPolarHBondContact CB-O 3.32Å
24C94.1Very high90.7Very high12 Ų1284.5 Ų84.58%0.08143%0.425CS..SBendtrans-66.6144.3-177.3-70.40000111.8N22 N26 C31N22-C24 VanDerWaalsContact C-N 3.28Å; N22-C24 PolarHBondContact O-N 2.67Å; N22-C24 WeakPolarHBondContact OD1-CB 3.29Å; N22-C24 PolarHBondContact OD1-N 2.9Å; C24-N26 VanDerWaalsContact C-N 3.34Å; C24-N26 PolarHBondContact O-N 3.06Å; C24-C31 HydrophobicContact CB-CB 3.62Å; C24-C31 WeakPolarHBondContact CB-SG 3.31Å; C24-C31 PolarHBondContact N-SG 3.49Å; C24-C31 VanDerWaalsContact N-SG 3.44Å; C24-C31 WeakPolarHBondContact SG-CB 3.24Å; C24-C31 CovalentContact SG-SG 2.04Å; C24-C31 PolarHBondContact SG-SG 3.03Å
25P87.1Confident90.8Very high125 Ų12582.4 Ų82.481%0.81241%0.413SS*.SBendtrans-68.2-33.9-179.824.6-32.5000112.4
26N86.3Confident90.8Very high71 Ų7181.4 Ų81.438%0.3841%0.41SS..SBendtrans-93.1116.4175.3-171.3-10.5000110.2C24 E28 K29C24-N26 VanDerWaalsContact C-N 3.34Å; C24-N26 PolarHBondContact O-N 3.06Å; N26-E28 PolarHBondContact O-N 2.96Å; N26-E28 PolarHBondContact OD1-N 2.92Å; N26-E28 VanDerWaalsContact OD1-N 3.12Å; N26-K29 HydrophobicContact CB-CD 4.3Å; N26-K29 HydrophobicContact CB-CG 4.27Å; N26-K29 PolarHBondContact O-N 2.68Å
27K71.8Confident90.8Very high177 Ų17779.4 Ų79.477%0.7740%0.4SS*.THydrogen-bonded Turntrans-66.8-20.9-177.4-68.2-172.8177.6-175.10113.9K29K27-K29 VanDerWaalsContact C-N 3.31Å
28E64.8Low90.9Very high179 Ų17980.4 Ų80.484%0.83639%0.394SS*.THydrogen-bonded Turntrans-83.1-7.1-176.6-63.2175.1174.500113.3N26N26-E28 PolarHBondContact O-N 2.96Å; N26-E28 PolarHBondContact OD1-N 2.92Å; N26-E28 VanDerWaalsContact OD1-N 3.12Å
29K76.5Confident91.1Very high133 Ų13381 Ų8158%0.57839%0.393SS*.SBendtrans-89.4134.8178.7-65.9-173.3178.1-176.30110.6N26 K27 C31N26-K29 HydrophobicContact CB-CD 4.3Å; N26-K29 HydrophobicContact CB-CG 4.27Å; N26-K29 PolarHBondContact O-N 2.68Å; K27-K29 VanDerWaalsContact C-N 3.31Å; K29-C31 PolarHBondContact O-N 3.42Å
30E82.1Confident91.3Very high159 Ų15978.9 Ų78.974%0.74339%0.387SS*.  trans-59110.6165.5-68.2-173.8169.700108.9L58E30-L58 HydrophobicContact CB-CD2 4.12Å
31C92.9Very high91.4Very high18 Ų1876.4 Ų76.412%0.12237%0.374CS..BIsolated β-bridgetrans-136.8128.7-173.9-169.50000108.9N22 C24 K29 I59N22-C31 WeakPolarHBondContact OD1-CB 3.35Å; C24-C31 HydrophobicContact CB-CB 3.62Å; C24-C31 WeakPolarHBondContact CB-SG 3.31Å; C24-C31 PolarHBondContact N-SG 3.49Å; C24-C31 VanDerWaalsContact N-SG 3.44Å; C24-C31 WeakPolarHBondContact SG-CB 3.24Å; C24-C31 CovalentContact SG-SG 2.04Å; C24-C31 PolarHBondContact SG-SG 3.03Å; K29-C31 PolarHBondContact O-N 3.42Å; C31-I59 CarbonylContact C-O 3.59Å; C31-I59 WeakPolarHBondContact CA-O 3.47Å
32Q96.1Very high91.6Very high23 Ų2374.5 Ų74.511%0.10737%0.371CS..PPolyproline II helixtrans-88.1150.4178.265.8177.5-50.400111.4P23 F35 L58 I59 S60P23-Q32 WeakPolarHBondContact CG-O 3Å; Q32-F35 HydrophobicContact CG-CE1 4.27Å; Q32-L58 HydrophobicContact CB-CB 4.19Å; Q32-L58 HydrophobicContact CG-CB 4.2Å; Q32-L58 PolarHBondContact NE2-O 3.42Å; Q32-I59 PolarHBondContact N-O 3.2Å; Q32-S60 WeakPolarHBondContact O-CB 3.27Å; Q32-S60 PolarHBondContact O-OG 3.25Å
33P97.4Very high91.7Very high68 Ų6880.8 Ų80.844%0.44240%0.403SS..PPolyproline II helixtrans-49.7149.5170.7-30.937.9000113.2L20 F35 S60L20-P33 WeakPolarHBondContact O-CA 3.3Å; L20-P33 WeakPolarHBondContact O-CB 3.28Å; P33-F35 WeakPolarHBondContact O-CD1 3.4Å; P33-S60 PolarHBondContact O-OG 3.21Å
34P97.8Very high91.8Very high15 Ų1582.6 Ų82.610%0.09741%0.414CS..PPolyproline II helixtrans-64.8150.3176.928.5-34000111.5T8 V13 L20 S60T8-P34 HydrophobicContact CG2-CB 4.34Å; T8-P34 HydrophobicContact CG2-CG 4.44Å; T8-P34 VanDerWaalsContact CG2-O 3.29Å; T8-P34 WeakPolarHBondContact CG2-O 3.4Å; V13-P34 HydrophobicContact CB-CG 4.34Å; V13-P34 HydrophobicContact CG1-CB 3.8Å; V13-P34 HydrophobicContact CG1-CG 4.12Å; L20-P34 HydrophobicContact CD2-CG 4.07Å; P34-S60 WeakPolarHBondContact CA-OG 3.33Å
35F98.4Very high92.1Very high22 Ų2290.5 Ų90.510%0.09646%0.456CS..  trans-153.7150.9177.861.7-81.7000110.2S3 V5 D6 Q32 P33 R38S3-F35 WeakPolarHBondContact O-CE2 3.46Å; S3-F35 WeakPolarHBondContact OG-CZ 3.36Å; V5-F35 VanDerWaalsContact CB-O 3.28Å; V5-F35 WeakPolarHBondContact CB-O 3.43Å; V5-F35 HydrophobicContact CG2-CD1 3.97Å; V5-F35 HydrophobicContact CG2-CE1 3.71Å; V5-F35 HydrophobicContact CG2-CZ 4.08Å; V5-F35 PolarHBondContact N-O 3.26Å; V5-F35 VanDerWaalsContact N-O 3.14Å; D6-F35 PolarHBondContact N-O 3.33Å; D6-F35 CarbonylContact O-C 3.2Å; D6-F35 VanDerWaalsContact O-C 3.27Å; Q32-F35 HydrophobicContact CG-CE1 4.27Å; P33-F35 WeakPolarHBondContact O-CD1 3.4Å; F35-R38 HydrophobicContact CD2-CB 3.89Å; F35-R38 HydrophobicContact CE2-CB 3.68Å
36A98.1Very high92.6Very high36 Ų3688.2 Ų88.230%0.29844%0.436SS..SBendtrans-70.5-63.7-179.900000111.7F4 V5 D6F4-A36 VanDerWaalsContact CA-O 3.31Å; F4-A36 WeakPolarHBondContact CA-O 3.41Å; F4-A36 VanDerWaalsContact CB-O 3.24Å; F4-A36 WeakPolarHBondContact CB-O 3.44Å; V5-A36 PolarHBondContact N-O 3.15Å; D6-A36 VanDerWaalsContact O-CA 3.3Å; D6-A36 WeakPolarHBondContact O-CA 3.29Å; D6-A36 PolarHBondContact O-N 3.5Å
37F98.5Very high93.2Very high59 Ų5988.8 Ų88.826%0.25945%0.446SS..EExtended strand (participates in β ladder)trans-144.5140.7179.9171-123.1000110.6S3 H39 T72 Q75 V76S3-F37 WeakPolarHBondContact O-CD2 3.42Å; F37-H39 HydrophobicContact CE1-CB 4.23Å; F37-H39 HydrophobicContact CZ-CB 3.97Å; F37-T72 HydrophobicContact CD2-CG2 3.32Å; F37-T72 HydrophobicContact CE2-CG2 3.55Å; F37-T72 HydrophobicContact CG-CG2 4.16Å; F37-Q75 HydrophobicContact CD1-CB 3.76Å; F37-Q75 HydrophobicContact CD1-CG 4.16Å; F37-Q75 HydrophobicContact CE1-CB 3.87Å; F37-V76 HydrophobicContact CE2-CG2 4.18Å; F37-V76 HydrophobicContact CZ-CG2 3.78Å
38R98.4Very high94.4Very high99 Ų9985.4 Ų85.437%0.37444%0.437SS..EExtended strand (participates in β ladder)trans-133.4119170.7-170.3-179.8-62.1143.45.9110.3G2 S3 F35 V40G2-R38 CarbonylContact C-O 3.54Å; G2-R38 WeakPolarHBondContact CA-O 3.23Å; S3-R38 PolarHBondContact N-O 3.02Å; S3-R38 PolarHBondContact O-N 3.3Å; F35-R38 HydrophobicContact CD2-CB 3.89Å; F35-R38 HydrophobicContact CE2-CB 3.68Å; R38-V40 HydrophobicContact CG-CG2 4.16Å; R38-V40 PolarHBondContact O-N 3.12Å
39H98.3Very high96.1Very high115 Ų11580.5 Ų80.553%0.53241%0.414SS..EExtended strand (participates in β ladder)trans-77.8117.8166.1-174.180.4000109.4F37 K42F37-H39 HydrophobicContact CE1-CB 4.23Å; F37-H39 HydrophobicContact CZ-CB 3.97Å; H39-K42 WeakPolarHBondContact NE2-CA 3.49Å; H39-K42 PolarHBondContact NE2-N 2.72Å
40V98.1Very high97.1Very high35 Ų3579.2 Ų79.221%0.21241%0.408CS..  trans-103.4-44-173.3173.60000111.6F1 R38 E53F1-V40 HydrophobicContact CD1-CB 3.88Å; F1-V40 HydrophobicContact CD1-CG1 4.11Å; F1-V40 HydrophobicContact CD1-CG2 4.35Å; F1-V40 HydrophobicContact CE1-CB 4.33Å; F1-V40 HydrophobicContact CE1-CG2 4.33Å; F1-V40 PolarHBondContact O-N 3.04Å; R38-V40 HydrophobicContact CG-CG2 4.16Å; R38-V40 PolarHBondContact O-N 3.12Å; V40-E53 HydrophobicContact CG1-CB 4.2Å
41L98.3Very high97.9Very high9 Ų978.2 Ų78.25%0.04740%0.404CS..  trans-140.2122.5-174.9178.461.8000110.7F1 T44 Q49 F50 E53F1-L41 HydrophobicContact CB-CB 4.21Å; F1-L41 PolarHBondContact N-O 2.88Å; F1-L41 PolarHBondContact O-N 3.28Å; L41-T44 HydrophobicContact CD1-CG2 4.15Å; L41-T44 HydrophobicContact CD2-CG2 4.2Å; L41-T44 HydrophobicContact CG-CG2 4.27Å; L41-Q49 HydrophobicContact CD1-CG 3.8Å; L41-Q49 HydrophobicContact CD2-CG 4.45Å; L41-F50 VanDerWaalsContact CD2-CA 3.49Å; L41-F50 HydrophobicContact CD2-CB 3.95Å; L41-F50 HydrophobicContact CD2-CD2 3.97Å; L41-F50 HydrophobicContact CD2-CG 4.4Å; L41-E53 HydrophobicContact CB-CB 4.44Å; L41-E53 HydrophobicContact CD1-CG 4.36Å; L41-E53 HydrophobicContact CD2-CB 4.27Å; L41-E53 HydrophobicContact CD2-CG 4.42Å
42K98.1Very high98.2Very high147 Ų14780.9 Ų80.964%0.63942%0.419SS*.  trans-64.9153.5171.4-171.6167.4-177.4167.50110.7H39 T44H39-K42 WeakPolarHBondContact NE2-CA 3.49Å; H39-K42 PolarHBondContact NE2-N 2.72Å; K42-T44 PolarHBondContact O-N 3.45Å
43L97.9Very high98.3Very high170 Ų17082 Ų8289%0.8942%0.424SS*.SBendtrans-52.8128.7173.5-67.1175.5000110.3
44T97.8Very high98.3Very high62 Ų6281.2 Ų81.238%0.3842%0.419SS..  trans-153.1151.8-173-178.30000109.6L41 K42 N46L41-T44 HydrophobicContact CD1-CG2 4.15Å; L41-T44 HydrophobicContact CD2-CG2 4.2Å; L41-T44 HydrophobicContact CG-CG2 4.27Å; K42-T44 PolarHBondContact O-N 3.45Å; T44-N46 VanDerWaalsContact C-N 3.27Å; T44-N46 HydrophobicContact CG2-CB 4.44Å; T44-N46 PolarHBondContact OG1-N 3.39Å
45N98.4Very high98.3Very high179 Ų17983.7 Ų83.796%0.95745%0.446SS*.SBendtrans-86.51173.6-63.2-18000112.3S47N45-S47 PolarHBondContact O-N 2.96Å
46N98.5Very high98.2Very high76 Ų7688.5 Ų88.541%0.40647%0.468SS..  trans-88.3100.6-178.2-172.4-20.1000111.5T44 N48 Q49 F50T44-N46 VanDerWaalsContact C-N 3.27Å; T44-N46 HydrophobicContact CG2-CB 4.44Å; T44-N46 PolarHBondContact OG1-N 3.39Å; N46-N48 PolarHBondContact OD1-N 3.14Å; N46-Q49 HydrophobicContact CB-CB 3.89Å; N46-Q49 PolarHBondContact O-N 3.28Å; N46-Q49 PolarHBondContact OD1-N 2.88Å; N46-F50 PolarHBondContact O-N 3.39Å
47S98.4Very high98.1Very high84 Ų8489.3 Ų89.359%0.58747%0.465SS*.Hα-helixtrans-65.5-38179.654.40000113.5N45 Q49 F50 Q51N45-S47 PolarHBondContact O-N 2.96Å; S47-Q49 VanDerWaalsContact C-N 3.31Å; S47-Q49 PolarHBondContact O-N 3.36Å; S47-F50 WeakPolarHBondContact O-CB 3.19Å; S47-F50 PolarHBondContact O-N 2.92Å; S47-F50 VanDerWaalsContact O-N 3.17Å; S47-Q51 PolarHBondContact O-N 3.37Å
48N98.6Very high98Very high106 Ų10690.4 Ų90.457%0.56747%0.473SS*.Hα-helixtrans-65.9-37.5179.3-66.9-22.7000111.2N46 Q51 T52N46-N48 PolarHBondContact OD1-N 3.14Å; N48-Q51 PolarHBondContact O-N 3.35Å; N48-T52 WeakPolarHBondContact O-CB 3.17Å; N48-T52 PolarHBondContact O-N 2.98Å; N48-T52 PolarHBondContact O-OG1 3.17Å
49Q98.5Very high97.8Very high76 Ų7691.7 Ų91.736%0.35549%0.486SS..Hα-helixtrans-62-45.6172.4-173.7179.516.600110.7L41 N46 S47 T52 E53L41-Q49 HydrophobicContact CD1-CG 3.8Å; L41-Q49 HydrophobicContact CD2-CG 4.45Å; N46-Q49 HydrophobicContact CB-CB 3.89Å; N46-Q49 PolarHBondContact O-N 3.28Å; N46-Q49 PolarHBondContact OD1-N 2.88Å; S47-Q49 VanDerWaalsContact C-N 3.31Å; S47-Q49 PolarHBondContact O-N 3.36Å; Q49-T52 PolarHBondContact O-N 3.47Å; Q49-E53 HydrophobicContact CG-CG 4.32Å; Q49-E53 WeakPolarHBondContact O-CB 3.49Å; Q49-E53 WeakPolarHBondContact O-CG 3.16Å; Q49-E53 PolarHBondContact O-N 2.78Å
50F98.7Very high97.7Very high106 Ų10687.4 Ų87.447%0.46547%0.469SS..Hα-helixtrans-58.9-49.4176179.9-90.8000112.3F1 L41 N46 S47 T52 E53 V54F1-F50 HydrophobicContact CB-CD2 4.4Å; F1-F50 HydrophobicContact CB-CE2 3.94Å; F1-F50 HydrophobicContact CD2-CE2 4.43Å; F1-F50 HydrophobicContact CG-CE2 4.43Å; L41-F50 VanDerWaalsContact CD2-CA 3.49Å; L41-F50 HydrophobicContact CD2-CB 3.95Å; L41-F50 HydrophobicContact CD2-CD2 3.97Å; L41-F50 HydrophobicContact CD2-CG 4.4Å; N46-F50 PolarHBondContact O-N 3.39Å; S47-F50 WeakPolarHBondContact O-CB 3.19Å; S47-F50 PolarHBondContact O-N 2.92Å; S47-F50 VanDerWaalsContact O-N 3.17Å; F50-T52 VanDerWaalsContact C-N 3.31Å; F50-T52 PolarHBondContact O-N 2.9Å; F50-E53 PolarHBondContact O-N 3.45Å; F50-V54 HydrophobicContact CD1-CG2 4.16Å; F50-V54 HydrophobicContact CD2-CG2 4.25Å; F50-V54 HydrophobicContact CE1-CG2 3.81Å; F50-V54 HydrophobicContact CE2-CG2 3.92Å; F50-V54 HydrophobicContact CG-CG2 4.36Å; F50-V54 HydrophobicContact CZ-CG2 3.68Å; F50-V54 WeakPolarHBondContact O-CB 3.37Å; F50-V54 VanDerWaalsContact O-CG2 3.29Å; F50-V54 WeakPolarHBondContact O-CG2 3.34Å; F50-V54 PolarHBondContact O-N 3.34Å
51Q98.6Very high97.6Very high137 Ų13786.6 Ų86.664%0.6447%0.468SS*.Hα-helixtrans-57.6-45.1178.6-177.6-179.30.400111.7S47 N48 G55S47-Q51 PolarHBondContact O-N 3.37Å; N48-Q51 PolarHBondContact O-N 3.35Å; Q51-G55 PolarHBondContact O-N 2.92Å
52T98.6Very high97.5Very high74 Ų7488 Ų8845%0.45448%0.475SS..Hα-helixtrans-66.4-46.1-179.1-56.20000111.5N48 Q49 F50 G55 K56N48-T52 WeakPolarHBondContact O-CB 3.17Å; N48-T52 PolarHBondContact O-N 2.98Å; N48-T52 PolarHBondContact O-OG1 3.17Å; Q49-T52 PolarHBondContact O-N 3.47Å; F50-T52 VanDerWaalsContact C-N 3.31Å; F50-T52 PolarHBondContact O-N 2.9Å; T52-G55 PolarHBondContact O-N 2.9Å; T52-K56 WeakPolarHBondContact O-CG 3.46Å; T52-K56 PolarHBondContact O-N 3.29Å
53E98.4Very high97.4Very high46 Ų4685.9 Ų85.922%0.21547%0.47CS..Hα-helixtrans-70.7-34.9-177.9-67.8-48.8129.900112.9V40 L41 Q49 F50 K56 Q57V40-E53 HydrophobicContact CG1-CB 4.2Å; L41-E53 HydrophobicContact CB-CB 4.44Å; L41-E53 HydrophobicContact CD1-CG 4.36Å; L41-E53 HydrophobicContact CD2-CB 4.27Å; L41-E53 HydrophobicContact CD2-CG 4.42Å; Q49-E53 HydrophobicContact CG-CG 4.32Å; Q49-E53 WeakPolarHBondContact O-CB 3.49Å; Q49-E53 WeakPolarHBondContact O-CG 3.16Å; Q49-E53 PolarHBondContact O-N 2.78Å; F50-E53 PolarHBondContact O-N 3.45Å; E53-K56 IonicContact OE1-NZ 3.67Å; E53-K56 PolarHBondContact OE1-NZ 2.75Å; E53-K56 IonicContact OE2-NZ 2.72Å; E53-Q57 PolarHBondContact O-NE2 3.17Å
54V97.9Very high97.4Very high53 Ų5380.4 Ų80.432%0.32144%0.442SS..Hα-helixtrans-67.8-42.1173.41720000110.9F1 F50 K56 Q57F1-V54 HydrophobicContact CD1-CG2 4.15Å; F1-V54 HydrophobicContact CD2-CG2 4.16Å; F1-V54 HydrophobicContact CE1-CG2 4.36Å; F1-V54 HydrophobicContact CE2-CG2 4.33Å; F1-V54 HydrophobicContact CG-CG2 4.08Å; F1-V54 HydrophobicContact CZ-CG2 4.43Å; F50-V54 HydrophobicContact CD1-CG2 4.16Å; F50-V54 HydrophobicContact CD2-CG2 4.25Å; F50-V54 HydrophobicContact CE1-CG2 3.81Å; F50-V54 HydrophobicContact CE2-CG2 3.92Å; F50-V54 HydrophobicContact CG-CG2 4.36Å; F50-V54 HydrophobicContact CZ-CG2 3.68Å; F50-V54 WeakPolarHBondContact O-CB 3.37Å; F50-V54 VanDerWaalsContact O-CG2 3.29Å; F50-V54 WeakPolarHBondContact O-CG2 3.34Å; F50-V54 PolarHBondContact O-N 3.34Å; V54-K56 PolarHBondContact O-N 3.2Å; V54-Q57 WeakPolarHBondContact O-CG 3.47Å; V54-Q57 PolarHBondContact O-N 2.7Å
55G97.3Very high97.4Very high66 Ų6681.7 Ų81.768%0.6846%0.459SS*.Hα-helixtrans-65.6-20.6179.700000114.8Q51 T52 Q57Q51-G55 PolarHBondContact O-N 2.92Å; T52-G55 PolarHBondContact O-N 2.9Å; G55-Q57 VanDerWaalsContact C-N 3.32Å
56K96.9Very high97.4Very high124 Ų12477.7 Ų77.754%0.53944%0.443SS..THydrogen-bonded Turntrans-78.8-10.5175.9-72169.2-176.4170.10114T52 E53 V54T52-K56 WeakPolarHBondContact O-CG 3.46Å; T52-K56 PolarHBondContact O-N 3.29Å; E53-K56 IonicContact OE1-NZ 3.67Å; E53-K56 PolarHBondContact OE1-NZ 2.75Å; E53-K56 IonicContact OE2-NZ 2.72Å; V54-K56 PolarHBondContact O-N 3.2Å
57Q96.5Very high97.3Very high53 Ų5378.4 Ų78.425%0.24844%0.444CS..PPolyproline II helixtrans-79.1139.9-174.4-55.6-50.1-60.900111.6F1 E53 V54 G55F1-Q57 HydrophobicContact CE1-CG 3.85Å; F1-Q57 HydrophobicContact CZ-CG 4.39Å; E53-Q57 PolarHBondContact O-NE2 3.17Å; V54-Q57 WeakPolarHBondContact O-CG 3.47Å; V54-Q57 PolarHBondContact O-N 2.7Å; G55-Q57 VanDerWaalsContact C-N 3.32Å
58L95.7Very high97.3Very high81 Ų8175 Ų7542%0.42442%0.421SS..PPolyproline II helixtrans-103.2159.1176.1-63.6176.5000111.1E30 Q32E30-L58 HydrophobicContact CB-CD2 4.12Å; Q32-L58 HydrophobicContact CB-CB 4.19Å; Q32-L58 HydrophobicContact CG-CB 4.2Å; Q32-L58 PolarHBondContact NE2-O 3.42Å
59I94.9Very high97.3Very high127 Ų12770.7 Ų70.765%0.65140%0.402SS*.BIsolated β-bridgetrans-72.4148.7171.8-63.9172.3000109.1C31 Q32C31-I59 CarbonylContact C-O 3.59Å; C31-I59 WeakPolarHBondContact CA-O 3.47Å; Q32-I59 PolarHBondContact N-O 3.2Å
60S96.1Very high97.3Very high25 Ų2573.7 Ų73.718%0.17542%0.42CS..  trans-129.8-173.6171.5-162.80000109.7Q32 P33 P34Q32-S60 WeakPolarHBondContact O-CB 3.27Å; Q32-S60 PolarHBondContact O-OG 3.25Å; P33-S60 PolarHBondContact O-OG 3.21Å; P34-S60 WeakPolarHBondContact CA-OG 3.33Å
61G95.3Very high97.3Very high17 Ų1771.4 Ų71.418%0.17541%0.412CS..  trans-165.5163.5175.800000113.4P23P23-G61 WeakPolarHBondContact CB-O 3.32Å
62N96.5Very high97.2Very high40 Ų4065.5 Ų65.521%0.21439%0.386CS..  trans-134.3-169.9178.865.1-44.3000109.5V5 D6 F12 V13 D64 E67V5-N62 HydrophobicContact CG1-CB 3.94Å; D6-N62 HydrophobicContact CB-CB 4.44Å; F12-N62 WeakPolarHBondContact O-CB 3.45Å; V13-N62 HydrophobicContact CG1-CB 3.82Å; N62-D64 PolarHBondContact ND2-O 3.03Å; N62-D64 VanDerWaalsContact ND2-O 3.13Å; N62-D64 PolarHBondContact ND2-OD1 3.21Å; N62-E67 VanDerWaalsContact CG-OE2 3.26Å; N62-E67 PolarHBondContact ND2-OE2 3.27Å; N62-E67 PolarHBondContact OD1-OE1 3.13Å; N62-E67 PolarHBondContact OD1-OE2 2.77Å
63L96.7Very high97.2Very high102 Ų10268 Ų6853%0.53439%0.394SS..SBendtrans-100.2-41.4-170.2-175.161.5000113.1L10 P11 F12L10-L63 HydrophobicContact CD2-CD2 4.41Å; P11-L63 WeakPolarHBondContact O-CD2 3.15Å; F12-L63 WeakPolarHBondContact O-CB 3.41Å; F12-L63 PolarHBondContact O-N 3.4Å
64D97.1Very high97.2Very high54 Ų5471.6 Ų71.629%0.28941%0.412SS..SBendtrans-97.6173-179.363.2-33.7000112.6F12 N62F12-D64 VanDerWaalsContact CA-OD1 3.27Å; F12-D64 WeakPolarHBondContact CA-OD1 3.32Å; F12-D64 VanDerWaalsContact O-OD1 3.1Å; N62-D64 PolarHBondContact ND2-O 3.03Å; N62-D64 VanDerWaalsContact ND2-O 3.13Å; N62-D64 PolarHBondContact ND2-OD1 3.21Å
65A97.5Very high97.2Very high90 Ų9073.2 Ų73.274%0.74442%0.416SS*.SBendtrans-89.6-36.9-174.500000114.6
66P97.9Very high97.3Very high94 Ų9474.1 Ų74.161%0.6141%0.408SS*.SBendtrans-65.9150.7167.5-18.633.9000110.7
67E98.3Very high97.3Very high92 Ų9272.3 Ų72.343%0.4342%0.416SS..  trans-126.2162.1-174.6-55.3-68.1179.600111.5F4 D6 N62 G69F4-E67 HydrophobicContact CE2-CB 4.08Å; D6-E67 WeakPolarHBondContact OD2-CA 3.34Å; N62-E67 VanDerWaalsContact CG-OE2 3.26Å; N62-E67 PolarHBondContact ND2-OE2 3.27Å; N62-E67 PolarHBondContact OD1-OE1 3.13Å; N62-E67 PolarHBondContact OD1-OE2 2.77Å; E67-G69 PolarHBondContact O-N 3.18Å
68G97.8Very high97.4Very high11 Ų1172.6 Ų72.611%0.11343%0.428CS..THydrogen-bonded Turntrans-74.323.5-177.600000115.9V5 D6 L70 D71 T72V5-G68 PolarHBondContact O-N 2.99Å; D6-G68 PolarHBondContact OD2-N 3.1Å; G68-L70 VanDerWaalsContact C-N 3.34Å; G68-L70 PolarHBondContact O-N 3.44Å; G68-D71 WeakPolarHBondContact O-CB 3.46Å; G68-D71 PolarHBondContact O-N 2.97Å; G68-D71 VanDerWaalsContact O-N 3.15Å; G68-T72 PolarHBondContact O-N 2.86Å
69G98.2Very high97.5Very high16 Ų1672.6 Ų72.617%0.16543%0.434CS..Hα-helixtrans-61.1-36.3-171.500000114.4E67 D71 T72 M73E67-G69 PolarHBondContact O-N 3.18Å; G69-D71 VanDerWaalsContact C-N 3.35Å; G69-D71 PolarHBondContact O-N 3.28Å; G69-T72 WeakPolarHBondContact O-CB 3.19Å; G69-T72 PolarHBondContact O-N 3.09Å; G69-M73 PolarHBondContact O-N 3.25Å
70L98.4Very high97.2Very high140 Ų14075.1 Ų75.173%0.73346%0.458SS*.Hα-helixtrans-69.9-31.6178.2-68.4179.8000112.7G68 T72 M73 M74G68-L70 VanDerWaalsContact C-N 3.34Å; G68-L70 PolarHBondContact O-N 3.44Å; L70-T72 VanDerWaalsContact C-N 3.28Å; L70-T72 PolarHBondContact O-N 3.47Å; L70-M73 HydrophobicContact CD2-SD 3.9Å; L70-M73 PolarHBondContact O-N 3.2Å; L70-M74 PolarHBondContact O-N 3.44Å
71D97.8Very high97.2Very high57 Ų5777.6 Ų77.631%0.30547%0.473SS..Hα-helixtrans-63.1-41.2173.8-153.425.6000109.8K7 G68 G69 M74 Q75K7-D71 IonicContact NZ-OD1 2.67Å; K7-D71 IonicContact NZ-OD2 3.71Å; K7-D71 PolarHBondContact NZ-OD2 2.97Å; G68-D71 WeakPolarHBondContact O-CB 3.46Å; G68-D71 PolarHBondContact O-N 2.97Å; G68-D71 VanDerWaalsContact O-N 3.15Å; G69-D71 VanDerWaalsContact C-N 3.35Å; G69-D71 PolarHBondContact O-N 3.28Å; D71-M74 PolarHBondContact O-N 3.01Å; D71-Q75 WeakPolarHBondContact O-CG 3.42Å; D71-Q75 PolarHBondContact O-N 2.9Å; D71-Q75 VanDerWaalsContact O-N 3.09Å
72T98Very high97.3Very high13 Ų1380.8 Ų80.88%0.0849%0.488CS..Hα-helixtrans-62.9-46.8174.8-68.30000112.4F4 F37 G68 G69 L70 M74 Q75 V76F4-T72 HydrophobicContact CB-CG2 4.23Å; F4-T72 WeakPolarHBondContact CB-OG1 3.46Å; F4-T72 HydrophobicContact CD1-CG2 4.08Å; F4-T72 HydrophobicContact CG-CG2 4.44Å; F37-T72 HydrophobicContact CD2-CG2 3.32Å; F37-T72 HydrophobicContact CE2-CG2 3.55Å; F37-T72 HydrophobicContact CG-CG2 4.16Å; G68-T72 PolarHBondContact O-N 2.86Å; G69-T72 WeakPolarHBondContact O-CB 3.19Å; G69-T72 PolarHBondContact O-N 3.09Å; L70-T72 VanDerWaalsContact C-N 3.28Å; L70-T72 PolarHBondContact O-N 3.47Å; T72-M74 VanDerWaalsContact C-N 3.28Å; T72-M74 PolarHBondContact O-N 3.43Å; T72-Q75 PolarHBondContact O-N 3.05Å; T72-V76 HydrophobicContact CG2-CG2 4.47Å; T72-V76 WeakPolarHBondContact O-CG2 3.34Å; T72-V76 PolarHBondContact O-N 3.44Å
73M98.3Very high97.4Very high127 Ų12783.1 Ų83.163%0.62650%0.503SS*.Hα-helixtrans-58.6-41.7177.1-71.8-179.872.500111.9G69 L70 V76 A77G69-M73 PolarHBondContact O-N 3.25Å; L70-M73 HydrophobicContact CD2-SD 3.9Å; L70-M73 PolarHBondContact O-N 3.2Å; M73-V76 PolarHBondContact O-N 2.04Å; M73-A77 WeakPolarHBondContact O-CB 3.08Å; M73-A77 PolarHBondContact O-N 3.49Å
74M98.4Very high97.4Very high122 Ų12281.9 Ų81.960%0.60150%0.502SS*.Hα-helixtrans-60.9-46.7176.9-177.960.7-168.800111.6L70 D71 T72 V76 A77 A78L70-M74 PolarHBondContact O-N 3.44Å; D71-M74 PolarHBondContact O-N 3.01Å; T72-M74 VanDerWaalsContact C-N 3.28Å; T72-M74 PolarHBondContact O-N 3.43Å; M74-V76 VanDerWaalsContact C-N 3.34Å; M74-V76 PolarHBondContact O-N 3.33Å; M74-A77 PolarHBondContact O-N 3.46Å; M74-A78 VanDerWaalsContact O-CB 3.32Å; M74-A78 WeakPolarHBondContact O-CB 3Å; M74-A78 PolarHBondContact O-N 3.42Å
75Q98.4Very high97.5Very high86 Ų8683.7 Ų83.740%0.40252%0.515SS..Hα-helixtrans-61.8-41.3178.1-67.6-58.7-46.700112.3F37 D71 T72 A78 C79F37-Q75 HydrophobicContact CD1-CB 3.76Å; F37-Q75 HydrophobicContact CD1-CG 4.16Å; F37-Q75 HydrophobicContact CE1-CB 3.87Å; D71-Q75 WeakPolarHBondContact O-CG 3.42Å; D71-Q75 PolarHBondContact O-N 2.9Å; D71-Q75 VanDerWaalsContact O-N 3.09Å; T72-Q75 PolarHBondContact O-N 3.05Å; Q75-A78 PolarHBondContact O-N 3.18Å; Q75-C79 WeakPolarHBondContact O-CB 3.44Å; Q75-C79 PolarHBondContact O-N 3.3Å; Q75-C79 VanDerWaalsContact O-N 3.1Å; Q75-C79 PolarHBondContact O-SG 3.12Å
76V98.1Very high97.4Very high85 Ų8583.3 Ų83.352%0.51550%0.5SS..Hα-helixtrans-66-39.7177.4172.90000111.6F37 T72 M73 M74F37-V76 HydrophobicContact CE2-CG2 4.18Å; F37-V76 HydrophobicContact CZ-CG2 3.78Å; T72-V76 HydrophobicContact CG2-CG2 4.47Å; T72-V76 WeakPolarHBondContact O-CG2 3.34Å; T72-V76 PolarHBondContact O-N 3.44Å; M73-V76 PolarHBondContact O-N 2.04Å; M74-V76 VanDerWaalsContact C-N 3.34Å; M74-V76 PolarHBondContact O-N 3.33Å
77A98.1Very high97.4Very high86 Ų8682.5 Ų82.571%0.71149%0.492SS*.Hα-helixtrans-71-33.2178.200000112.8M73 M74M73-A77 WeakPolarHBondContact O-CB 3.08Å; M73-A77 PolarHBondContact O-N 3.49Å; M74-A77 PolarHBondContact O-N 3.46Å
78A98.1Very high97.4Very high60 Ų6081.8 Ų81.850%0.49650%0.497SS..Hα-helixtrans-81-21.5-17900000113.9M74 Q75 P80M74-A78 VanDerWaalsContact O-CB 3.32Å; M74-A78 WeakPolarHBondContact O-CB 3Å; M74-A78 PolarHBondContact O-N 3.42Å; Q75-A78 PolarHBondContact O-N 3.18Å; A78-P80 WeakPolarHBondContact O-CD 3.35Å
79C97.1Very high97.3Very high81 Ų8187.7 Ų87.755%0.54753%0.529SS..  trans-115.194.2-174.9-57.30000111.7Q75Q75-C79 WeakPolarHBondContact O-CB 3.44Å; Q75-C79 PolarHBondContact O-N 3.3Å; Q75-C79 VanDerWaalsContact O-N 3.1Å; Q75-C79 PolarHBondContact O-SG 3.12Å
80P88.8Confident97.2Very high179 Ų17994.2 Ų94.2100%1.16256%0.562SS**  trans-72.10-179.829.9-35000114.7A78A78-P80 WeakPolarHBondContact O-CD 3.35Å

Retrieved 80 of 80 residues in 228.3 ms (Link to these results)