A0A087WSN7_MOUSE Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087WSN7, Species MOUSE (Mus musculus, Mouse), Gene Mapkapk2, Length 162 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
1M67.7Low91.8Very high121 Ų12179.5 Ų79.560%0.59638%0.381SS*.  0121.30176.7-173.2-76.900107.4Y35 C40 L42M1-Y35 VanDerWaalsContact CE-CB 3.44Å; M1-Y35 HydrophobicContact CE-CD1 3.63Å; M1-Y35 HydrophobicContact CE-CD2 3.57Å; M1-Y35 HydrophobicContact CE-CE1 4.22Å; M1-Y35 HydrophobicContact CE-CE2 4.17Å; M1-Y35 HydrophobicContact CE-CG 3.25Å; M1-Y35 VanDerWaalsContact SD-CB 3.6Å; M1-Y35 HydrophobicContact SD-CD1 3.38Å; M1-Y35 WeakPolarHBondContact SD-CD1 3.5Å; M1-Y35 HydrophobicContact SD-CD2 4.43Å; M1-Y35 HydrophobicContact SD-CE1 4.12Å; M1-Y35 HydrophobicContact SD-CG 3.56Å; M1-Y35 VanDerWaalsContact SD-CG 3.56Å; M1-C40 HydrophobicContact CG-CB 3.58Å; M1-C40 HydrophobicContact SD-CB 3.71Å; M1-L42 HydrophobicContact CB-CD2 4.4Å; M1-L42 HydrophobicContact CE-CD2 3.32Å; M1-L42 HydrophobicContact CG-CD2 4.07Å; M1-L42 HydrophobicContact SD-CD2 4.5Å
2L85.9Confident92.3Very high45 Ų4574.1 Ų74.124%0.23636%0.357CS..EExtended strand (participates in β ladder)trans-97.6140.5179.1-61.5179.1000109.4D4 A8 E11 V12 C40 L41 I43L2-D4 PolarHBondContact O-N 3.37Å; L2-A8 HydrophobicContact CB-CB 3.83Å; L2-A8 HydrophobicContact CD1-CB 3.94Å; L2-A8 HydrophobicContact CG-CB 4.5Å; L2-E11 HydrophobicContact CD1-CG 4.41Å; L2-V12 HydrophobicContact CD1-CG2 4.31Å; L2-C40 CarbonylContact O-C 3.38Å; L2-C40 WeakPolarHBondContact O-CA 3.29Å; L2-C40 WeakPolarHBondContact O-CB 3.25Å; L2-L41 HydrophobicContact CB-CB 4.45Å; L2-L41 PolarHBondContact N-O 3.02Å; L2-L41 VanDerWaalsContact N-O 3.08Å; L2-L41 PolarHBondContact O-N 2.91Å; L2-I43 HydrophobicContact CD1-CD1 3.62Å; L2-I43 HydrophobicContact CG-CD1 4.15Å
3Q93.6Very high92.7Very high128 Ų12875.9 Ų75.960%0.59837%0.365SS*.EExtended strand (participates in β ladder)trans-64.8128.6167.1-177.6176.73.900108.6C5 A8Q3-C5 PolarHBondContact O-N 3.43Å; Q3-C5 PolarHBondContact O-SG 2.89Å; Q3-C5 VanDerWaalsContact O-SG 3.41Å; Q3-A8 VanDerWaalsContact O-CB 3.28Å; Q3-A8 WeakPolarHBondContact O-CB 3.48Å
4D95.8Very high93Very high34 Ų3471.1 Ų71.118%0.18234%0.342CS..SBendtrans-66.6108179.8-179.514.9000109.9L2 R9 K39 L41L2-D4 PolarHBondContact O-N 3.37Å; D4-R9 IonicContact OD1-CZ 2.74Å; D4-R9 IonicContact OD1-NE 3.57Å; D4-R9 PolarHBondContact OD1-NE 3.17Å; D4-R9 IonicContact OD1-NH2 3.72Å; D4-R9 PolarHBondContact OD1-NH2 3.26Å; D4-R9 IonicContact OD2-CZ 2.83Å; D4-R9 IonicContact OD2-NE 3.76Å; D4-R9 IonicContact OD2-NH2 2.74Å; D4-R9 PolarHBondContact OD2-NH2 3.04Å; D4-K39 HydrophobicContact CB-CB 3.83Å; D4-K39 PolarHBondContact N-O 2.84Å; D4-L41 HydrophobicContact CB-CD2 4.41Å; D4-L41 HydrophobicContact CB-CG 4.23Å
5C95.2Very high93.4Very high48 Ų4866.9 Ų66.932%0.32432%0.322SS..SBendtrans-152165.417866.20000109.3Q3 K7 A8 R9Q3-C5 PolarHBondContact O-N 3.43Å; Q3-C5 PolarHBondContact O-SG 2.89Å; Q3-C5 VanDerWaalsContact O-SG 3.41Å; C5-K7 PolarHBondContact O-N 3.23Å; C5-K7 VanDerWaalsContact O-N 3.08Å; C5-A8 PolarHBondContact O-N 3.2Å; C5-A8 VanDerWaalsContact O-N 3.08Å; C5-R9 PolarHBondContact O-N 3.18Å
6P95.3Very high93.7Very high95 Ų9570.6 Ų70.662%0.61733%0.331SS*.Hα-helixtrans-56.5-29.7-179.7-27.935.9000114.2R10P6-R10 WeakPolarHBondContact O-CG 3.25Å; P6-R10 PolarHBondContact O-N 3.34Å; P6-R10 PolarHBondContact O-NH1 3.35Å
7K92.4Very high93.9Very high118 Ų11870.2 Ų70.251%0.51333%0.326SS..Hα-helixtrans-68.1-49.7175.9-171.8-177.1174.6-170.70111.3C5 R9 R10 E11 G116C5-K7 PolarHBondContact O-N 3.23Å; C5-K7 VanDerWaalsContact O-N 3.08Å; K7-R9 VanDerWaalsContact C-N 3.35Å; K7-R9 PolarHBondContact O-N 3.3Å; K7-R10 PolarHBondContact O-N 3.18Å; K7-E11 PolarHBondContact O-N 2.9Å; K7-G116 WeakPolarHBondContact CE-O 3.41Å
8A94.8Very high94.2Very high5 Ų566.3 Ų66.34%0.04131%0.308CS..Hα-helixtrans-63.4-39.4179.800000112.3L2 Q3 C5 R10 E11 V12 L41L2-A8 HydrophobicContact CB-CB 3.83Å; L2-A8 HydrophobicContact CD1-CB 3.94Å; L2-A8 HydrophobicContact CG-CB 4.5Å; Q3-A8 VanDerWaalsContact O-CB 3.28Å; Q3-A8 WeakPolarHBondContact O-CB 3.48Å; C5-A8 PolarHBondContact O-N 3.2Å; C5-A8 VanDerWaalsContact O-N 3.08Å; A8-R10 VanDerWaalsContact C-N 3.33Å; A8-R10 PolarHBondContact O-N 3.27Å; A8-E11 WeakPolarHBondContact O-CB 3.44Å; A8-E11 PolarHBondContact O-N 3.31Å; A8-V12 WeakPolarHBondContact O-CG2 3Å; A8-V12 PolarHBondContact O-N 2.96Å; A8-L41 HydrophobicContact CB-CD1 4.02Å
9R96.6Very high94.3Very high100 Ų10063.4 Ų63.438%0.37730%0.296SS..Hα-helixtrans-64-37.6175.6-70.9-172.9179.2-100.82.1112.8D4 C5 K7 E13 E32 L41D4-R9 IonicContact OD1-CZ 2.74Å; D4-R9 IonicContact OD1-NE 3.57Å; D4-R9 PolarHBondContact OD1-NE 3.17Å; D4-R9 IonicContact OD1-NH2 3.72Å; D4-R9 PolarHBondContact OD1-NH2 3.26Å; D4-R9 IonicContact OD2-CZ 2.83Å; D4-R9 IonicContact OD2-NE 3.76Å; D4-R9 IonicContact OD2-NH2 2.74Å; D4-R9 PolarHBondContact OD2-NH2 3.04Å; C5-R9 PolarHBondContact O-N 3.18Å; K7-R9 VanDerWaalsContact C-N 3.35Å; K7-R9 PolarHBondContact O-N 3.3Å; R9-E13 VanDerWaalsContact O-CB 3.3Å; R9-E13 WeakPolarHBondContact O-CB 3.43Å; R9-E13 PolarHBondContact O-N 3.34Å; R9-E32 IonicContact CZ-OE1 3.7Å; R9-E32 IonicContact CZ-OE2 3.67Å; R9-E32 IonicContact NH1-OE1 2.85Å; R9-E32 PolarHBondContact NH1-OE1 3.46Å; R9-E32 IonicContact NH1-OE2 3.86Å; R9-E32 IonicContact NH2-OE1 3.7Å; R9-E32 PolarHBondContact NH2-OE1 2.74Å; R9-E32 VanDerWaalsContact NH2-OE1 3.15Å; R9-E32 IonicContact NH2-OE2 2.82Å; R9-E32 PolarHBondContact NH2-OE2 2.68Å; R9-L41 HydrophobicContact CG-CD1 3.88Å
10R95.8Very high94.4Very high147 Ų14767.9 Ų67.956%0.55532%0.317SS*.Hα-helixtrans-66.4-44.6174.1-75.3-172.2-54.9-96.94.2112.1P6 K7 A8 E13 L14P6-R10 WeakPolarHBondContact O-CG 3.25Å; P6-R10 PolarHBondContact O-N 3.34Å; P6-R10 PolarHBondContact O-NH1 3.35Å; K7-R10 PolarHBondContact O-N 3.18Å; A8-R10 VanDerWaalsContact C-N 3.33Å; A8-R10 PolarHBondContact O-N 3.27Å; R10-E13 PolarHBondContact O-N 3.34Å; R10-L14 WeakPolarHBondContact O-CB 3.26Å; R10-L14 VanDerWaalsContact O-CG 3.23Å; R10-L14 WeakPolarHBondContact O-CG 3.22Å; R10-L14 PolarHBondContact O-N 3.19Å
11E96.5Very high94.5Very high33 Ų3365 Ų6515%0.15430%0.304CS..Hα-helixtrans-55.2-51.3175.2169.8-178.8167.300111L2 K7 A8 E13 L14 H15 F115L2-E11 HydrophobicContact CD1-CG 4.41Å; K7-E11 PolarHBondContact O-N 2.9Å; A8-E11 WeakPolarHBondContact O-CB 3.44Å; A8-E11 PolarHBondContact O-N 3.31Å; E11-E13 PolarHBondContact O-N 3.11Å; E11-L14 PolarHBondContact O-N 3.38Å; E11-H15 VanDerWaalsContact O-CB 3.31Å; E11-H15 WeakPolarHBondContact O-CB 3.34Å; E11-H15 PolarHBondContact O-N 3.41Å; E11-F115 HydrophobicContact CG-CB 4.1Å
12V97.7Very high96Very high15 Ų1563.3 Ų63.39%0.09130%0.302CS..Hα-helixtrans-60.5-45.1177.9171.40000112L2 A8 H15 W16 V30 L41 I43L2-V12 HydrophobicContact CD1-CG2 4.31Å; A8-V12 WeakPolarHBondContact O-CG2 3Å; A8-V12 PolarHBondContact O-N 2.96Å; V12-H15 PolarHBondContact O-N 2.9Å; V12-W16 VanDerWaalsContact O-CB 3.25Å; V12-W16 WeakPolarHBondContact O-CB 3.48Å; V12-W16 PolarHBondContact O-N 3.18Å; V12-V30 HydrophobicContact CG1-CB 4.42Å; V12-V30 HydrophobicContact CG1-CG1 4.04Å; V12-V30 HydrophobicContact CG1-CG2 3.62Å; V12-L41 HydrophobicContact CG2-CD1 4.08Å; V12-I43 HydrophobicContact CG2-CD1 3.52Å; V12-I43 HydrophobicContact CG2-CG1 3.9Å
13E97.6Very high96.6Very high98 Ų9862.4 Ų62.446%0.45830%0.297SS..Hα-helixtrans-62.4-44.8179.5175.856.7-147.900112.2R9 R10 E11 W16 R17R9-E13 VanDerWaalsContact O-CB 3.3Å; R9-E13 WeakPolarHBondContact O-CB 3.43Å; R9-E13 PolarHBondContact O-N 3.34Å; R10-E13 PolarHBondContact O-N 3.34Å; E11-E13 PolarHBondContact O-N 3.11Å; E13-W16 PolarHBondContact O-N 3.28Å; E13-R17 PolarHBondContact O-N 3.39Å; E13-R17 IonicContact OE1-NE 3.88Å
14L97.9Very high96.8Very high9 Ų956.3 Ų56.35%0.04727%0.268CS..Hα-helixtrans-65.3-42.4178.5-67.3172.4000111.2R10 E11 R17 A18 I89 F115 A118 E120R10-L14 WeakPolarHBondContact O-CB 3.26Å; R10-L14 VanDerWaalsContact O-CG 3.23Å; R10-L14 WeakPolarHBondContact O-CG 3.22Å; R10-L14 PolarHBondContact O-N 3.19Å; E11-L14 PolarHBondContact O-N 3.38Å; L14-R17 PolarHBondContact O-N 2.82Å; L14-A18 WeakPolarHBondContact O-CB 3.42Å; L14-A18 PolarHBondContact O-N 2.94Å; L14-I89 HydrophobicContact CB-CD1 4.22Å; L14-I89 HydrophobicContact CD2-CD1 3.7Å; L14-I89 HydrophobicContact CD2-CG1 3.84Å; L14-I89 HydrophobicContact CD2-CG2 4.39Å; L14-F115 HydrophobicContact CB-CD1 4.39Å; L14-A118 HydrophobicContact CD1-CB 4.05Å; L14-A118 WeakPolarHBondContact CD1-O 3.48Å; L14-E120 HydrophobicContact CD2-CB 4.17Å
15H98.4Very high97Very high8 Ų855 Ų554%0.03726%0.261CS..Hα-helixtrans-68.4-36.9177.7-168.4-179.6000111.9E11 V12 A18 S19 V25 I27 F115E11-H15 VanDerWaalsContact O-CB 3.31Å; E11-H15 WeakPolarHBondContact O-CB 3.34Å; E11-H15 PolarHBondContact O-N 3.41Å; V12-H15 PolarHBondContact O-N 2.9Å; H15-A18 CarbonylContact O-C 3.16Å; H15-A18 WeakPolarHBondContact O-CB 3.43Å; H15-A18 PolarHBondContact O-N 3.41Å; H15-A18 VanDerWaalsContact O-N 3.14Å; H15-S19 PolarHBondContact O-N 2.92Å; H15-S19 PolarHBondContact O-OG 2.93Å; H15-V25 VanDerWaalsContact CE1-CG1 3.44Å; H15-V25 WeakPolarHBondContact CE1-CG1 3.47Å; H15-V25 WeakPolarHBondContact NE2-CG1 3.49Å; H15-V25 PolarHBondContact NE2-O 2.99Å; H15-I27 HydrophobicContact CB-CD1 3.66Å; H15-I27 HydrophobicContact CB-CG1 4.5Å; H15-F115 HydrophobicContact CB-CB 3.88Å; H15-F115 HydrophobicContact CB-CD1 3.92Å; H15-F115 HydrophobicContact CB-CD2 3.9Å; H15-F115 HydrophobicContact CB-CE1 4.48Å; H15-F115 HydrophobicContact CB-CE2 4.47Å; H15-F115 HydrophobicContact CB-CG 3.62Å; H15-F115 AromaticContact CD2-CD2 3.62Å; H15-F115 AromaticContact CD2-CE2 3.55Å; H15-F115 AromaticContact CG-CD2 3.49Å; H15-F115 VanDerWaalsContact CG-CD2 3.49Å; H15-F115 AromaticContact CG-CE2 3.92Å; H15-F115 AromaticContact CG-CG 3.77Å; H15-F115 AromaticContact ND1-CD2 3.79Å; H15-F115 AromaticContact NE2-CE2 3.93Å
16W98.1Very high97.1Very high125 Ų12556.7 Ų56.747%0.47326%0.264SS..Hα-helixtrans-60.8-47.8174.2-175.9-93.5000111.3V12 E13 A18 S19 I27 V30V12-W16 VanDerWaalsContact O-CB 3.25Å; V12-W16 WeakPolarHBondContact O-CB 3.48Å; V12-W16 PolarHBondContact O-N 3.18Å; E13-W16 PolarHBondContact O-N 3.28Å; W16-A18 VanDerWaalsContact C-N 3.27Å; W16-A18 PolarHBondContact O-N 3.21Å; W16-S19 WeakPolarHBondContact O-CB 3.48Å; W16-S19 PolarHBondContact O-N 3.12Å; W16-I27 HydrophobicContact CE3-CB 3.9Å; W16-I27 HydrophobicContact CE3-CG2 3.61Å; W16-I27 HydrophobicContact CZ3-CB 4.26Å; W16-I27 HydrophobicContact CZ3-CG2 3.73Å; W16-V30 HydrophobicContact CE3-CG2 4.5Å
17R97.8Very high97.3Very high64 Ų6452.1 Ų52.124%0.24224%0.235CC..Hα-helixtrans-59-39.9172.9-71.9-168.6-80.7169.7-14.6111.9E13 L14 S19 Y83 I87 I89 E120E13-R17 PolarHBondContact O-N 3.39Å; E13-R17 IonicContact OE1-NE 3.88Å; L14-R17 PolarHBondContact O-N 2.82Å; R17-S19 VanDerWaalsContact C-N 3.29Å; R17-S19 PolarHBondContact O-N 2.96Å; R17-Y83 PolarHBondContact O-OH 3.11Å; R17-I87 HydrophobicContact CB-CD1 4.21Å; R17-I89 HydrophobicContact CB-CD1 4.31Å; R17-E120 IonicContact CZ-OE1 2.73Å; R17-E120 IonicContact CZ-OE2 3.73Å; R17-E120 IonicContact NH1-OE1 2.75Å; R17-E120 PolarHBondContact NH1-OE1 2.69Å; R17-E120 IonicContact NH1-OE2 3.39Å; R17-E120 VanDerWaalsContact NH2-CD 3.33Å; R17-E120 IonicContact NH2-OE1 3.67Å; R17-E120 PolarHBondContact NH2-OE1 3.11Å; R17-E120 IonicContact NH2-OE2 3.36Å; R17-E120 PolarHBondContact NH2-OE2 3.35Å
18A98.1Very high97.5Very high0 Ų049.8 Ų49.80%023%0.23CC..Hα-helixtrans-68.8-23.1179.700000114.4L14 H15 W16 Q20 C21 I24 L84 F115L14-A18 WeakPolarHBondContact O-CB 3.42Å; L14-A18 PolarHBondContact O-N 2.94Å; H15-A18 CarbonylContact O-C 3.16Å; H15-A18 WeakPolarHBondContact O-CB 3.43Å; H15-A18 PolarHBondContact O-N 3.41Å; H15-A18 VanDerWaalsContact O-N 3.14Å; W16-A18 VanDerWaalsContact C-N 3.27Å; W16-A18 PolarHBondContact O-N 3.21Å; A18-Q20 PolarHBondContact O-N 2.82Å; A18-C21 WeakPolarHBondContact O-CB 3.39Å; A18-C21 PolarHBondContact O-N 2.94Å; A18-I24 HydrophobicContact CB-CD1 3.93Å; A18-I24 HydrophobicContact CB-CG2 4.02Å; A18-L84 HydrophobicContact CB-CD2 3.55Å; A18-F115 HydrophobicContact CB-CE1 3.45Å; A18-F115 VanDerWaalsContact CB-CE1 3.45Å; A18-F115 HydrophobicContact CB-CZ 3.46Å; A18-F115 VanDerWaalsContact CB-CZ 3.46Å
19S97.5Very high97.7Very high11 Ų1152.8 Ų52.88%0.07725%0.245CC..THydrogen-bonded Turntrans-66.5-4.8-171.9-68.70000115.1H15 W16 R17 C21 H26 I27H15-S19 PolarHBondContact O-N 2.92Å; H15-S19 PolarHBondContact O-OG 2.93Å; W16-S19 WeakPolarHBondContact O-CB 3.48Å; W16-S19 PolarHBondContact O-N 3.12Å; R17-S19 VanDerWaalsContact C-N 3.29Å; R17-S19 PolarHBondContact O-N 2.96Å; S19-C21 VanDerWaalsContact C-N 3.33Å; S19-H26 PolarHBondContact O-ND1 2.87Å; S19-H26 VanDerWaalsContact O-ND1 3.09Å; S19-I27 PolarHBondContact OG-N 3.19Å
20Q94.8Very high97.7Very high153 Ų15350.3 Ų50.372%0.71524%0.241SC*.THydrogen-bonded Turntrans-81.6-13.4173.3-52175.743.900112.5A18 Y83A18-Q20 PolarHBondContact O-N 2.82Å; Q20-Y83 WeakPolarHBondContact CB-OH 3.45Å
21C98.2Very high97.8Very high8 Ų848.7 Ų48.75%0.05424%0.236CC..SBendtrans-81.6129.1176.7-175.90000111.2A18 S19 H23 I24 Y83A18-C21 WeakPolarHBondContact O-CB 3.39Å; A18-C21 PolarHBondContact O-N 2.94Å; S19-C21 VanDerWaalsContact C-N 3.33Å; C21-H23 PolarHBondContact O-N 3.31Å; C21-I24 HydrophobicContact CB-CB 4.04Å; C21-I24 HydrophobicContact CB-CD1 3.68Å; C21-I24 HydrophobicContact CB-CG1 3.78Å; C21-I24 PolarHBondContact O-N 3.44Å; C21-I24 VanDerWaalsContact O-N 3.12Å; C21-Y83 HydrophobicContact CB-CD1 3.55Å; C21-Y83 HydrophobicContact CB-CD2 4.17Å; C21-Y83 HydrophobicContact CB-CE1 4.04Å; C21-Y83 HydrophobicContact CB-CG 3.63Å
22P98.1Very high97.8Very high85 Ų8552.7 Ų52.755%0.55226%0.255SS*.THydrogen-bonded Turntrans-59.2-29.6177.4-25.534.8000114.3I24 K111P22-I24 VanDerWaalsContact C-N 3.33Å; P22-K111 VanDerWaalsContact O-CE 3.25Å; P22-K111 WeakPolarHBondContact O-CE 3.49Å; P22-K111 PolarHBondContact O-NZ 3.34Å
23H98.7Very high97.7Very high26 Ų2656 Ų5612%0.1227%0.272CS..THydrogen-bonded Turntrans-93.616.8-179.1-67.9-64.5000113.5C21 S76 E79 A80 L110 K111 L112C21-H23 PolarHBondContact O-N 3.31Å; H23-S76 WeakPolarHBondContact CB-O 3.47Å; H23-E79 IonicContact CD2-OE2 2.68Å; H23-E79 PolarHBondContact CD2-OE2 3.07Å; H23-E79 IonicContact NE2-OE2 3.46Å; H23-E79 PolarHBondContact NE2-OE2 2.98Å; H23-A80 HydrophobicContact CB-CB 3.87Å; H23-L110 PolarHBondContact ND1-O 3.4Å; H23-K111 CarbonylContact O-C 3.57Å; H23-K111 WeakPolarHBondContact O-CA 3.47Å; H23-L112 PolarHBondContact O-N 3.29Å
24I98.8Very high97.6Very high0 Ų057.4 Ų57.40%028%0.282CS..BIsolated β-bridgetrans-122.7143.9172-61.9178.9000108.1A18 C21 P22 H26 A80 Y83 L84 K111 L112 F115A18-I24 HydrophobicContact CB-CD1 3.93Å; A18-I24 HydrophobicContact CB-CG2 4.02Å; C21-I24 HydrophobicContact CB-CB 4.04Å; C21-I24 HydrophobicContact CB-CD1 3.68Å; C21-I24 HydrophobicContact CB-CG1 3.78Å; C21-I24 PolarHBondContact O-N 3.44Å; C21-I24 VanDerWaalsContact O-N 3.12Å; P22-I24 VanDerWaalsContact C-N 3.33Å; I24-H26 PolarHBondContact O-N 3.36Å; I24-A80 HydrophobicContact CD1-CB 4.44Å; I24-A80 HydrophobicContact CG1-CB 3.94Å; I24-Y83 HydrophobicContact CD1-CD1 4.18Å; I24-L84 HydrophobicContact CD1-CD1 4.26Å; I24-L84 HydrophobicContact CD1-CD2 3.69Å; I24-L84 HydrophobicContact CD1-CG 3.75Å; I24-K111 PolarHBondContact O-NZ 3.02Å; I24-L112 HydrophobicContact CG1-CB 4.48Å; I24-F115 HydrophobicContact CD1-CZ 4.38Å; I24-F115 HydrophobicContact CG2-CE2 3.76Å; I24-F115 HydrophobicContact CG2-CZ 3.67Å
25V98.5Very high97.3Very high6 Ų664 Ų644%0.03631%0.307CS..PPolyproline II helixtrans-64.8130.5176.767.50000110.9H15 M45 E46 L48 L112 T113H15-V25 VanDerWaalsContact CE1-CG1 3.44Å; H15-V25 WeakPolarHBondContact CE1-CG1 3.47Å; H15-V25 WeakPolarHBondContact NE2-CG1 3.49Å; H15-V25 PolarHBondContact NE2-O 2.99Å; V25-M45 HydrophobicContact CG2-CB 4.37Å; V25-E46 VanDerWaalsContact CA-OE1 3.3Å; V25-E46 WeakPolarHBondContact CA-OE1 3.12Å; V25-E46 HydrophobicContact CG2-CG 3.55Å; V25-L48 HydrophobicContact CB-CD1 4.08Å; V25-L48 HydrophobicContact CG2-CD1 3.78Å; V25-L48 HydrophobicContact CG2-CG 4.19Å; V25-L112 PolarHBondContact N-O 2.79Å; V25-T113 HydrophobicContact CB-CG2 3.96Å; V25-T113 HydrophobicContact CG1-CG2 3.85Å
26H98.2Very high97.1Very high84 Ų8468 Ų6839%0.38934%0.342SS..PPolyproline II helixtrans-82.9126.6-174.9-173.373000111.2S19 I24 M45 E46S19-H26 PolarHBondContact O-ND1 2.87Å; S19-H26 VanDerWaalsContact O-ND1 3.09Å; I24-H26 PolarHBondContact O-N 3.36Å; H26-M45 CarbonylContact O-C 3.59Å; H26-M45 VanDerWaalsContact O-CA 3.25Å; H26-M45 WeakPolarHBondContact O-CA 3.42Å; H26-E46 HydrophobicContact CB-CB 4.43Å; H26-E46 HydrophobicContact CB-CG 4.2Å; H26-E46 WeakPolarHBondContact CB-OE1 3.27Å; H26-E46 PolarHBondContact N-OE1 3.16Å; H26-E46 PolarHBondContact O-N 3.29Å
27I98.2Very high96.8Very high0 Ų065.5 Ų65.50%036%0.355CS..EExtended strand (participates in β ladder)trans-78.8120.9162.6-61.3-177.4000108.3H15 W16 S19 V30 I43 M45H15-I27 HydrophobicContact CB-CD1 3.66Å; H15-I27 HydrophobicContact CB-CG1 4.5Å; W16-I27 HydrophobicContact CE3-CB 3.9Å; W16-I27 HydrophobicContact CE3-CG2 3.61Å; W16-I27 HydrophobicContact CZ3-CB 4.26Å; W16-I27 HydrophobicContact CZ3-CG2 3.73Å; S19-I27 PolarHBondContact OG-N 3.19Å; I27-V30 HydrophobicContact CG2-CG2 3.76Å; I27-I43 HydrophobicContact CD1-CG2 3.89Å; I27-I43 HydrophobicContact CG1-CG2 3.93Å; I27-I43 HydrophobicContact CG2-CG2 3.87Å; I27-M45 HydrophobicContact CG1-CG 4.28Å
28V97.9Very high96.7Very high69 Ų6970.4 Ų70.442%0.41837%0.373SS..EExtended strand (participates in β ladder)trans-81.7-45.6175.9178.80000110.7V44V28-V44 HydrophobicContact CB-CB 4.31Å; V28-V44 HydrophobicContact CB-CG1 4.02Å; V28-V44 HydrophobicContact CG1-CG1 4.38Å; V28-V44 PolarHBondContact N-O 2.86Å
29D97.8Very high96.6Very high67 Ų6777.3 Ų77.336%0.35840%0.403SS..EExtended strand (participates in β ladder)trans-158.4158.2-174.9-100.8-30.1000111.5Y31 V44D29-Y31 HydrophobicContact CB-CD2 4.32Å; D29-Y31 HydrophobicContact CB-CE2 3.56Å; D29-Y31 PolarHBondContact OD2-OH 2.97Å; D29-V44 HydrophobicContact CB-CB 4.07Å; D29-V44 HydrophobicContact CB-CG2 4.16Å; D29-V44 PolarHBondContact N-O 2.84Å; D29-V44 PolarHBondContact O-N 3.11Å
30V97.4Very high96.6Very high48 Ų4877.2 Ų77.229%0.29140%0.403SS..EExtended strand (participates in β ladder)trans-133.1125.6174.3-174.40000109.8V12 W16 I27 L42V12-V30 HydrophobicContact CG1-CB 4.42Å; V12-V30 HydrophobicContact CG1-CG1 4.04Å; V12-V30 HydrophobicContact CG1-CG2 3.62Å; W16-V30 HydrophobicContact CE3-CG2 4.5Å; I27-V30 HydrophobicContact CG2-CG2 3.76Å; V30-L42 CarbonylContact C-O 3.56Å; V30-L42 WeakPolarHBondContact CA-O 3.18Å
31Y96.9Very high96.7Very high113 Ų11370.1 Ų70.144%0.44337%0.37SS..EExtended strand (participates in β ladder)trans-117.6133.2177.1-60.8-93.3000111.4D29 L42 V44D29-Y31 HydrophobicContact CB-CD2 4.32Å; D29-Y31 HydrophobicContact CB-CE2 3.56Å; D29-Y31 PolarHBondContact OD2-OH 2.97Å; Y31-L42 PolarHBondContact N-O 3.25Å; Y31-L42 PolarHBondContact O-N 3.5Å; Y31-V44 HydrophobicContact CD2-CG2 4.22Å; Y31-V44 HydrophobicContact CE2-CG2 4.06Å
32E97Very high96.6Very high118 Ų11872.3 Ų72.355%0.55138%0.38SS*.EExtended strand (participates in β ladder)trans-89.3119.1168.9-56.7-170-161.700109.1R9 L41R9-E32 IonicContact CZ-OE1 3.7Å; R9-E32 IonicContact CZ-OE2 3.67Å; R9-E32 IonicContact NH1-OE1 2.85Å; R9-E32 PolarHBondContact NH1-OE1 3.46Å; R9-E32 IonicContact NH1-OE2 3.86Å; R9-E32 IonicContact NH2-OE1 3.7Å; R9-E32 PolarHBondContact NH2-OE1 2.74Å; R9-E32 VanDerWaalsContact NH2-OE1 3.15Å; R9-E32 IonicContact NH2-OE2 2.82Å; R9-E32 PolarHBondContact NH2-OE2 2.68Å; E32-L41 HydrophobicContact CG-CD2 3.78Å
33N95.3Very high96.6Very high84 Ų8470.2 Ų70.245%0.44936%0.364SS..EExtended strand (participates in β ladder)trans-140.5164-176.5-87.9-34.2000112.4C40 L42N33-C40 PolarHBondContact N-O 2.94Å; N33-C40 PolarHBondContact O-N 2.83Å; N33-L42 HydrophobicContact CB-CD1 4.17Å; N33-L42 VanDerWaalsContact ND2-CD1 3.29Å; N33-L42 WeakPolarHBondContact ND2-CD1 3.3Å
34L95.8Very high96.5Very high127 Ų12771.9 Ų71.967%0.66538%0.376SS*.EExtended strand (participates in β ladder)trans-95120.8166.3-69.8173.6000109.4R38 K39L34-R38 WeakPolarHBondContact CA-O 3.47Å; L34-K39 HydrophobicContact CD2-CG 3.81Å
35Y91.8Very high96.5Very high148 Ų14876.3 Ų76.358%0.5840%0.398SS*.EExtended strand (participates in β ladder)trans-123.5124.9173.1-177.3-101.5000109.6M1 G37 R38M1-Y35 VanDerWaalsContact CE-CB 3.44Å; M1-Y35 HydrophobicContact CE-CD1 3.63Å; M1-Y35 HydrophobicContact CE-CD2 3.57Å; M1-Y35 HydrophobicContact CE-CE1 4.22Å; M1-Y35 HydrophobicContact CE-CE2 4.17Å; M1-Y35 HydrophobicContact CE-CG 3.25Å; M1-Y35 VanDerWaalsContact SD-CB 3.6Å; M1-Y35 HydrophobicContact SD-CD1 3.38Å; M1-Y35 WeakPolarHBondContact SD-CD1 3.5Å; M1-Y35 HydrophobicContact SD-CD2 4.43Å; M1-Y35 HydrophobicContact SD-CE1 4.12Å; M1-Y35 HydrophobicContact SD-CG 3.56Å; M1-Y35 VanDerWaalsContact SD-CG 3.56Å; Y35-G37 PolarHBondContact O-N 2.94Å; Y35-G37 VanDerWaalsContact O-N 3.13Å; Y35-R38 PolarHBondContact N-O 2.94Å; Y35-R38 PolarHBondContact O-N 3.27Å
36A93.3Very high96.4Very high92 Ų9278.6 Ų78.676%0.7641%0.408SS*.THydrogen-bonded Turntrans48.539.5-175.400000113.3R38A36-R38 VanDerWaalsContact C-N 3.3Å; A36-R38 PolarHBondContact O-N 2.89Å
37G93.6Very high96.4Very high73 Ų7378.8 Ų78.875%0.75342%0.418SS*.THydrogen-bonded Turntrans75.86.9-179.700000115.7Y35Y35-G37 PolarHBondContact O-N 2.94Å; Y35-G37 VanDerWaalsContact O-N 3.13Å
38R95.1Very high96.4Very high166 Ų16680.3 Ų80.363%0.62643%0.426SS*.EExtended strand (participates in β ladder)trans-112.7142.9178.1-60.1-178.5-175.3-175.51.4110.8L34 Y35 A36 C40L34-R38 WeakPolarHBondContact CA-O 3.47Å; Y35-R38 PolarHBondContact N-O 2.94Å; Y35-R38 PolarHBondContact O-N 3.27Å; A36-R38 VanDerWaalsContact C-N 3.3Å; A36-R38 PolarHBondContact O-N 2.89Å; R38-C40 PolarHBondContact O-N 3.13Å
39K96.4Very high96.3Very high145 Ų14582.2 Ų82.263%0.6343%0.434SS*.EExtended strand (participates in β ladder)trans-69.5128.1170.7-65.9-172.2177.1-171.20109.6D4 L34D4-K39 HydrophobicContact CB-CB 3.83Å; D4-K39 PolarHBondContact N-O 2.84Å; L34-K39 HydrophobicContact CD2-CG 3.81Å
40C96.8Very high96.2Very high10 Ų1079.5 Ų79.57%0.06842%0.422CS..EExtended strand (participates in β ladder)trans-138.5149.2-176.2-64.40000111.2M1 L2 N33 R38M1-C40 HydrophobicContact CG-CB 3.58Å; M1-C40 HydrophobicContact SD-CB 3.71Å; L2-C40 CarbonylContact O-C 3.38Å; L2-C40 WeakPolarHBondContact O-CA 3.29Å; L2-C40 WeakPolarHBondContact O-CB 3.25Å; N33-C40 PolarHBondContact N-O 2.94Å; N33-C40 PolarHBondContact O-N 2.83Å; R38-C40 PolarHBondContact O-N 3.13Å
41L97.1Very high96.2Very high3 Ų379 Ų792%0.01643%0.426CS..EExtended strand (participates in β ladder)trans-96122.1166.1-56.5176.9000108.7L2 D4 A8 R9 V12 E32L2-L41 HydrophobicContact CB-CB 4.45Å; L2-L41 PolarHBondContact N-O 3.02Å; L2-L41 VanDerWaalsContact N-O 3.08Å; L2-L41 PolarHBondContact O-N 2.91Å; D4-L41 HydrophobicContact CB-CD2 4.41Å; D4-L41 HydrophobicContact CB-CG 4.23Å; A8-L41 HydrophobicContact CB-CD1 4.02Å; R9-L41 HydrophobicContact CG-CD1 3.88Å; V12-L41 HydrophobicContact CG2-CD1 4.08Å; E32-L41 HydrophobicContact CG-CD2 3.78Å
42L96.8Very high96.1Very high54 Ų5477.3 Ų77.328%0.28342%0.422SS..EExtended strand (participates in β ladder)trans-94.5117.9167.7-58.8179.5000107.8M1 V30 Y31 N33M1-L42 HydrophobicContact CB-CD2 4.4Å; M1-L42 HydrophobicContact CE-CD2 3.32Å; M1-L42 HydrophobicContact CG-CD2 4.07Å; M1-L42 HydrophobicContact SD-CD2 4.5Å; V30-L42 CarbonylContact C-O 3.56Å; V30-L42 WeakPolarHBondContact CA-O 3.18Å; Y31-L42 PolarHBondContact N-O 3.25Å; Y31-L42 PolarHBondContact O-N 3.5Å; N33-L42 HydrophobicContact CB-CD1 4.17Å; N33-L42 VanDerWaalsContact ND2-CD1 3.29Å; N33-L42 WeakPolarHBondContact ND2-CD1 3.3Å
43I97Very high95.9Very high41 Ų4171.8 Ų71.821%0.2140%0.396CS..EExtended strand (participates in β ladder)trans-105.8119.1178.5-49.7168.6000106.7L2 V12 I27 M45L2-I43 HydrophobicContact CD1-CD1 3.62Å; L2-I43 HydrophobicContact CG-CD1 4.15Å; V12-I43 HydrophobicContact CG2-CD1 3.52Å; V12-I43 HydrophobicContact CG2-CG1 3.9Å; I27-I43 HydrophobicContact CD1-CG2 3.89Å; I27-I43 HydrophobicContact CG1-CG2 3.93Å; I27-I43 HydrophobicContact CG2-CG2 3.87Å; I43-M45 HydrophobicContact CG2-CG 3.76Å; I43-M45 HydrophobicContact CG2-SD 4.22Å
44V97.7Very high95.7Very high61 Ų6170 Ų7037%0.3738%0.384SS..EExtended strand (participates in β ladder)trans-93.8123.9172.6-173.80000106.9V28 D29 Y31V28-V44 HydrophobicContact CB-CB 4.31Å; V28-V44 HydrophobicContact CB-CG1 4.02Å; V28-V44 HydrophobicContact CG1-CG1 4.38Å; V28-V44 PolarHBondContact N-O 2.86Å; D29-V44 HydrophobicContact CB-CB 4.07Å; D29-V44 HydrophobicContact CB-CG2 4.16Å; D29-V44 PolarHBondContact N-O 2.84Å; D29-V44 PolarHBondContact O-N 3.11Å; Y31-V44 HydrophobicContact CD2-CG2 4.22Å; Y31-V44 HydrophobicContact CE2-CG2 4.06Å
45M97.8Very high95.5Very high93 Ų9366.2 Ų66.246%0.45837%0.369SS..EExtended strand (participates in β ladder)trans-125.8162-177.3-63.8179.2-71.200110.5V25 H26 I27 I43V25-M45 HydrophobicContact CG2-CB 4.37Å; H26-M45 CarbonylContact O-C 3.59Å; H26-M45 VanDerWaalsContact O-CA 3.25Å; H26-M45 WeakPolarHBondContact O-CA 3.42Å; I27-M45 HydrophobicContact CG1-CG 4.28Å; I43-M45 HydrophobicContact CG2-CG 3.76Å; I43-M45 HydrophobicContact CG2-SD 4.22Å
46E97.1Very high95.5Very high54 Ų5461.3 Ų61.325%0.25235%0.349SS..  trans-58.7149.2165.970.7179.2130.400111.2V25 H26 L48 K111V25-E46 VanDerWaalsContact CA-OE1 3.3Å; V25-E46 WeakPolarHBondContact CA-OE1 3.12Å; V25-E46 HydrophobicContact CG2-CG 3.55Å; H26-E46 HydrophobicContact CB-CB 4.43Å; H26-E46 HydrophobicContact CB-CG 4.2Å; H26-E46 WeakPolarHBondContact CB-OE1 3.27Å; H26-E46 PolarHBondContact N-OE1 3.16Å; H26-E46 PolarHBondContact O-N 3.29Å; E46-L48 HydrophobicContact CG-CD2 4.02Å; E46-K111 VanDerWaalsContact CD-CE 3.5Å; E46-K111 VanDerWaalsContact OE1-CD 3.27Å; E46-K111 WeakPolarHBondContact OE1-CD 3.25Å; E46-K111 WeakPolarHBondContact OE1-CE 3.38Å; E46-K111 IonicContact OE1-NZ 2.79Å; E46-K111 PolarHBondContact OE1-NZ 2.93Å; E46-K111 WeakPolarHBondContact OE2-CE 3.23Å; E46-K111 IonicContact OE2-NZ 3.29Å; E46-K111 PolarHBondContact OE2-NZ 2.88Å
47C97.6Very high95.3Very high89 Ų8959 Ų5960%0.60132%0.324SS*.  trans-88.6131.8-179.3-1680000110.5D49C47-D49 PolarHBondContact SG-OD1 3.4Å
48L97.9Very high95.1Very high31 Ų3163.2 Ų63.216%0.16232%0.324CS..  trans-11788-177.8-56.3-177.6000110.3V25 E46 L100 Y101 T102 K111 T113V25-L48 HydrophobicContact CB-CD1 4.08Å; V25-L48 HydrophobicContact CG2-CD1 3.78Å; V25-L48 HydrophobicContact CG2-CG 4.19Å; E46-L48 HydrophobicContact CG-CD2 4.02Å; L48-L100 HydrophobicContact CB-CB 4.2Å; L48-L100 HydrophobicContact CB-CD1 4.47Å; L48-L100 HydrophobicContact CD1-CB 3.8Å; L48-L100 HydrophobicContact CD1-CD1 4.16Å; L48-Y101 CarbonylContact C-O 3.51Å; L48-T102 HydrophobicContact CD2-CG2 3.87Å; L48-K111 HydrophobicContact CD1-CB 4.33Å; L48-K111 HydrophobicContact CD2-CD 3.73Å; L48-T113 HydrophobicContact CD1-CG2 3.65Å
49D96.7Very high94.7Very high110 Ų11061.8 Ų61.859%0.58833%0.329SS*.THydrogen-bonded Turntrans-91.84.2-173.6-69.1-35.3000113.9C47 T102C47-D49 PolarHBondContact SG-OD1 3.4Å; D49-T102 PolarHBondContact N-O 3.44Å
50G95.9Very high93.8Very high10 Ų1058.1 Ų58.110%0.10331%0.311CS..THydrogen-bonded Turntrans-83.4-10.3-175.600000115.1Y101 S103G50-Y101 VanDerWaalsContact CA-O 3.22Å; G50-Y101 WeakPolarHBondContact CA-O 3.44Å; G50-Y101 PolarHBondContact N-O 3.33Å; G50-S103 VanDerWaalsContact CA-O 3.26Å; G50-S103 WeakPolarHBondContact CA-O 3.38Å
51G96.1Very high92.9Very high36 Ų3660.8 Ų60.837%0.37134%0.34SS..  trans74.3-177.2-176.400000113.3L100 Y101G51-L100 WeakPolarHBondContact O-CA 3.43Å; G51-Y101 PolarHBondContact O-N 3.41Å
52E96.2Very high91.8Very high78 Ų7869 Ų6936%0.36438%0.384SS..BIsolated β-bridgetrans-70.5150.3-178.6-64.4172.2-156.100112.2F54 S55 R56 L100E52-F54 VanDerWaalsContact C-N 3.35Å; E52-F54 PolarHBondContact O-N 3.37Å; E52-S55 PolarHBondContact O-N 2.85Å; E52-R56 PolarHBondContact O-N 3.27Å; E52-R56 VanDerWaalsContact O-N 3.11Å; E52-L100 HydrophobicContact CB-CD2 4.29Å; E52-L100 HydrophobicContact CG-CD2 3.65Å
53L93.1Very high91.2Very high2 Ų273.2 Ų73.21%0.0140%0.402CS..Hα-helixtrans-49.1-52.9178.4174.159.9000112.6R56 I57 I73 I77 L99 Y101 L110L53-R56 WeakPolarHBondContact O-CB 3.33Å; L53-R56 PolarHBondContact O-N 3.04Å; L53-I57 HydrophobicContact CD1-CD1 4.26Å; L53-I57 HydrophobicContact CG-CD1 4.34Å; L53-I57 PolarHBondContact O-N 2.95Å; L53-I73 HydrophobicContact CD1-CD1 3.94Å; L53-I73 HydrophobicContact CD1-CG1 4.13Å; L53-I73 HydrophobicContact CD1-CG2 3.79Å; L53-I73 HydrophobicContact CD2-CG2 3.71Å; L53-I73 HydrophobicContact CG-CG2 4.39Å; L53-I77 HydrophobicContact CD2-CD1 4.3Å; L53-L99 HydrophobicContact CB-CB 4.12Å; L53-L99 HydrophobicContact CD2-CD1 4Å; L53-L99 PolarHBondContact N-O 3.35Å; L53-Y101 HydrophobicContact CD1-CE2 3.74Å; L53-Y101 WeakPolarHBondContact CD1-OH 3.46Å; L53-L110 HydrophobicContact CB-CD1 4.18Å; L53-L110 HydrophobicContact CD1-CD1 4.24Å; L53-L110 HydrophobicContact CD1-CD2 4.22Å; L53-L110 HydrophobicContact CD2-CD2 4.31Å
54F91Very high90.8Very high46 Ų4675.1 Ų75.120%0.20242%0.424CS..Hα-helixtrans-74.2-33.3-174.1-73.6-82.3000112.9E52 R56 I57 Q58 P96 I159 I162E52-F54 VanDerWaalsContact C-N 3.35Å; E52-F54 PolarHBondContact O-N 3.37Å; F54-R56 VanDerWaalsContact C-N 3.25Å; F54-R56 PolarHBondContact O-N 3.16Å; F54-I57 HydrophobicContact CD1-CD1 4.32Å; F54-I57 PolarHBondContact O-N 3.44Å; F54-Q58 WeakPolarHBondContact O-CB 3.36Å; F54-Q58 PolarHBondContact O-N 3.23Å; F54-P96 HydrophobicContact CD2-CB 3.6Å; F54-P96 HydrophobicContact CD2-CG 3.87Å; F54-P96 HydrophobicContact CE2-CB 3.84Å; F54-P96 HydrophobicContact CE2-CG 3.62Å; F54-I159 HydrophobicContact CZ-CG2 4.4Å; F54-I162 HydrophobicContact CD1-CG2 4.14Å; F54-I162 HydrophobicContact CE1-CB 3.98Å; F54-I162 HydrophobicContact CE1-CG2 3.35Å; F54-I162 HydrophobicContact CZ-CB 3.92Å; F54-I162 HydrophobicContact CZ-CG2 3.7Å
55S91.4Very high90.5Very high49 Ų4975.9 Ų75.934%0.34342%0.423SS..Hα-helixtrans-58.8-41.8170.7-52.60000110.8E52 I57 Q58 D59E52-S55 PolarHBondContact O-N 2.85Å; S55-I57 VanDerWaalsContact C-N 3.33Å; S55-I57 PolarHBondContact O-N 3.46Å; S55-Q58 PolarHBondContact O-N 3.18Å; S55-D59 WeakPolarHBondContact O-CB 3.47Å; S55-D59 PolarHBondContact O-N 3.16Å
56R90.6Very high90.3Very high44 Ų4474.6 Ų74.617%0.16642%0.42CS..Hα-helixtrans-65.9-34.3177.9-162.6-171.9179.8-171.4-3.2112.9E52 L53 F54 R60 Y101 R105 P106E52-R56 PolarHBondContact O-N 3.27Å; E52-R56 VanDerWaalsContact O-N 3.11Å; L53-R56 WeakPolarHBondContact O-CB 3.33Å; L53-R56 PolarHBondContact O-N 3.04Å; F54-R56 VanDerWaalsContact C-N 3.25Å; F54-R56 PolarHBondContact O-N 3.16Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-Y101 HydrophobicContact CB-CD2 4.12Å; R56-Y101 HydrophobicContact CB-CE2 4.03Å; R56-Y101 HydrophobicContact CG-CD2 4.35Å; R56-Y101 HydrophobicContact CG-CE2 4.28Å; R56-Y101 VanDerWaalsContact NH1-CZ 3.28Å; R56-R105 PolarHBondContact NH2-O 3.48Å; R56-P106 PolarHBondContact NH2-O 3.3Å
57I89.7Confident90.3Very high44 Ų4480.4 Ų80.423%0.22645%0.447CS..Hα-helixtrans-68.2-43.2174.4-64.9168.9000109.8L53 F54 S55 R60 F65 I73L53-I57 HydrophobicContact CD1-CD1 4.26Å; L53-I57 HydrophobicContact CG-CD1 4.34Å; L53-I57 PolarHBondContact O-N 2.95Å; F54-I57 HydrophobicContact CD1-CD1 4.32Å; F54-I57 PolarHBondContact O-N 3.44Å; S55-I57 VanDerWaalsContact C-N 3.33Å; S55-I57 PolarHBondContact O-N 3.46Å; I57-R60 WeakPolarHBondContact O-CB 3.43Å; I57-R60 PolarHBondContact O-N 2.78Å; I57-F65 HydrophobicContact CD1-CE1 4.32Å; I57-F65 HydrophobicContact CD1-CE2 4.13Å; I57-F65 HydrophobicContact CD1-CZ 3.89Å; I57-F65 HydrophobicContact CG1-CD2 4.44Å; I57-F65 HydrophobicContact CG1-CE2 4.15Å; I57-F65 HydrophobicContact CG1-CZ 4.4Å; I57-F65 HydrophobicContact CG2-CB 4.48Å; I57-F65 HydrophobicContact CG2-CD1 4.39Å; I57-F65 HydrophobicContact CG2-CD2 4.37Å; I57-F65 HydrophobicContact CG2-CG 4.18Å; I57-I73 HydrophobicContact CD1-CD1 4.46Å
58Q88.8Confident90.2Very high162 Ų16285.5 Ų85.576%0.75745%0.454SS*.Hα-helixtrans-65.5-37.6179.6-174.1177-15.800113F54 S55 R60F54-Q58 WeakPolarHBondContact O-CB 3.36Å; F54-Q58 PolarHBondContact O-N 3.23Å; S55-Q58 PolarHBondContact O-N 3.18Å; Q58-R60 PolarHBondContact O-N 3.09Å; Q58-R60 VanDerWaalsContact O-N 3.17Å
59D87.4Confident90.1Very high135 Ų13586.6 Ų86.672%0.72246%0.458SS*.THydrogen-bonded Turntrans-72.6-4.2-177.5-72.7-15.8000113.9S55 G61S55-D59 WeakPolarHBondContact O-CB 3.47Å; S55-D59 PolarHBondContact O-N 3.16Å; D59-G61 PolarHBondContact O-N 3.31Å
60R78.1Confident90Very high69 Ų6982.9 Ų82.926%0.2644%0.443SS..THydrogen-bonded Turntrans-71.8-6.8-178.8-78.7174.1167.1-139.2-0.4114.7R56 I57 Q58 D62 Q63 E69R56-R60 WeakPolarHBondContact O-CG 3.49Å; I57-R60 WeakPolarHBondContact O-CB 3.43Å; I57-R60 PolarHBondContact O-N 2.78Å; Q58-R60 PolarHBondContact O-N 3.09Å; Q58-R60 VanDerWaalsContact O-N 3.17Å; R60-D62 PolarHBondContact O-N 2.98Å; R60-Q63 HydrophobicContact CB-CB 4.37Å; R60-Q63 PolarHBondContact O-N 2.86Å; R60-E69 IonicContact CZ-OE1 3.22Å; R60-E69 IonicContact NH1-OE1 2.69Å; R60-E69 PolarHBondContact NH1-OE1 2.88Å; R60-E69 IonicContact NH1-OE2 3.11Å; R60-E69 PolarHBondContact NH1-OE2 2.85Å; R60-E69 VanDerWaalsContact NH1-OE2 3.11Å; R60-E69 IonicContact NH2-OE1 2.82Å; R60-E69 PolarHBondContact NH2-OE1 3.04Å
61G77.6Confident90.1Very high66 Ų6686 Ų8668%0.6846%0.463SS*.THydrogen-bonded Turntrans56.6-120.3-179.500000111.2D59D59-G61 PolarHBondContact O-N 3.31Å
62D74.1Confident90.2Very high175 Ų17588.9 Ų88.994%0.93647%0.467SS*.THydrogen-bonded Turntrans-86.8-0.2-175.7-57.8-40.8000114.5R60 A64R60-D62 PolarHBondContact O-N 2.98Å; D62-A64 PolarHBondContact O-N 3.45Å
63Q84.3Confident90.3Very high142 Ų14286.1 Ų86.166%0.66446%0.455SS*.SBendtrans-75.2120.7176.9-67.2-178-3.300110.3R60 F65R60-Q63 HydrophobicContact CB-CB 4.37Å; R60-Q63 PolarHBondContact O-N 2.86Å; Q63-F65 PolarHBondContact O-N 2.76Å
64A86.9Confident90.5Very high81 Ų8187.5 Ų87.567%0.66946%0.461SS*.PPolyproline II helixtrans-59.9130.4177.900000111.2D62D62-A64 PolarHBondContact O-N 3.45Å
65F91.8Very high90.9Very high77 Ų7790.8 Ų90.834%0.33848%0.475SS..PPolyproline II helixtrans-84.1120.7167.7-178.5-116.5000109I57 Q63 E69 A70 I73I57-F65 HydrophobicContact CD1-CE1 4.32Å; I57-F65 HydrophobicContact CD1-CE2 4.13Å; I57-F65 HydrophobicContact CD1-CZ 3.89Å; I57-F65 HydrophobicContact CG1-CD2 4.44Å; I57-F65 HydrophobicContact CG1-CE2 4.15Å; I57-F65 HydrophobicContact CG1-CZ 4.4Å; I57-F65 HydrophobicContact CG2-CB 4.48Å; I57-F65 HydrophobicContact CG2-CD1 4.39Å; I57-F65 HydrophobicContact CG2-CD2 4.37Å; I57-F65 HydrophobicContact CG2-CG 4.18Å; Q63-F65 PolarHBondContact O-N 2.76Å; F65-E69 HydrophobicContact CD2-CB 4.09Å; F65-E69 HydrophobicContact CE2-CB 3.74Å; F65-A70 HydrophobicContact CE1-CB 3.86Å; F65-A70 HydrophobicContact CZ-CB 3.8Å; F65-I73 HydrophobicContact CE2-CD1 3.67Å; F65-I73 HydrophobicContact CZ-CD1 3.75Å
66T94.4Very high91.2Very high66 Ų6689.6 Ų89.641%0.40547%0.467SS..PPolyproline II helixtrans-100.3154.3-171.764.90000112.2R68 E69 A70T66-R68 PolarHBondContact O-N 2.79Å; T66-E69 PolarHBondContact N-OE2 2.83Å; T66-E69 WeakPolarHBondContact O-CB 3.22Å; T66-E69 PolarHBondContact O-N 2.91Å; T66-E69 WeakPolarHBondContact OG1-CG 3.39Å; T66-E69 PolarHBondContact OG1-N 3.12Å; T66-E69 PolarHBondContact OG1-OE2 3.37Å; T66-E69 VanDerWaalsContact OG1-OE2 3.11Å; T66-A70 PolarHBondContact O-N 3.02Å; T66-A70 VanDerWaalsContact O-N 3.07Å
67E96.5Very high91.6Very high177 Ų17787.6 Ų87.683%0.82746%0.46SS*.Hα-helixtrans-55.6-35174-175.7-177.3171.900112.2E69 A70 S71E67-E69 VanDerWaalsContact C-N 3.33Å; E67-E69 PolarHBondContact O-N 3.5Å; E67-A70 WeakPolarHBondContact O-CB 3.35Å; E67-A70 PolarHBondContact O-N 3.27Å; E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.19Å
68R96.4Very high92Very high195 Ų19586.7 Ų86.774%0.73646%0.461SS*.Hα-helixtrans-61.6-41.6175.8-176.5174.1-178.5163.21.3111.9T66 S71 E72T66-R68 PolarHBondContact O-N 2.79Å; R68-S71 WeakPolarHBondContact O-CB 3.13Å; R68-S71 PolarHBondContact O-N 3.21Å; R68-E72 WeakPolarHBondContact O-CG 3.45Å; R68-E72 PolarHBondContact O-N 3.5Å; R68-E72 VanDerWaalsContact O-N 3.11Å
69E94.3Very high92.5Very high54 Ų5482.4 Ų82.425%0.25244%0.441SS..Hα-helixtrans-69-40.7177.3-68.6172.1117.800111.6R60 F65 T66 E67 S71 E72 I73R60-E69 IonicContact CZ-OE1 3.22Å; R60-E69 IonicContact NH1-OE1 2.69Å; R60-E69 PolarHBondContact NH1-OE1 2.88Å; R60-E69 IonicContact NH1-OE2 3.11Å; R60-E69 PolarHBondContact NH1-OE2 2.85Å; R60-E69 VanDerWaalsContact NH1-OE2 3.11Å; R60-E69 IonicContact NH2-OE1 2.82Å; R60-E69 PolarHBondContact NH2-OE1 3.04Å; F65-E69 HydrophobicContact CD2-CB 4.09Å; F65-E69 HydrophobicContact CE2-CB 3.74Å; T66-E69 PolarHBondContact N-OE2 2.83Å; T66-E69 WeakPolarHBondContact O-CB 3.22Å; T66-E69 PolarHBondContact O-N 2.91Å; T66-E69 WeakPolarHBondContact OG1-CG 3.39Å; T66-E69 PolarHBondContact OG1-N 3.12Å; T66-E69 PolarHBondContact OG1-OE2 3.37Å; T66-E69 VanDerWaalsContact OG1-OE2 3.11Å; E67-E69 VanDerWaalsContact C-N 3.33Å; E67-E69 PolarHBondContact O-N 3.5Å; E69-S71 VanDerWaalsContact C-N 3.27Å; E69-S71 PolarHBondContact O-N 3.38Å; E69-E72 PolarHBondContact O-N 3.04Å; E69-I73 WeakPolarHBondContact O-CG1 3.49Å; E69-I73 PolarHBondContact O-N 3.08Å
70A96.1Very high93Very high33 Ų3376 Ų7627%0.27341%0.407SS..Hα-helixtrans-57.5-42.4172.200000111.4F65 T66 E67 I73 M74F65-A70 HydrophobicContact CE1-CB 3.86Å; F65-A70 HydrophobicContact CZ-CB 3.8Å; T66-A70 PolarHBondContact O-N 3.02Å; T66-A70 VanDerWaalsContact O-N 3.07Å; E67-A70 WeakPolarHBondContact O-CB 3.35Å; E67-A70 PolarHBondContact O-N 3.27Å; A70-I73 PolarHBondContact O-N 2.81Å; A70-M74 WeakPolarHBondContact O-CB 3.43Å; A70-M74 WeakPolarHBondContact O-CG 3.3Å; A70-M74 PolarHBondContact O-N 3.06Å
71S98Very high94Very high76 Ų7672.9 Ų72.953%0.53140%0.395SS..Hα-helixtrans-62.1-43.2176.5-174.10000112.8E67 R68 E69 M74 K75E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.19Å; R68-S71 WeakPolarHBondContact O-CB 3.13Å; R68-S71 PolarHBondContact O-N 3.21Å; E69-S71 VanDerWaalsContact C-N 3.27Å; E69-S71 PolarHBondContact O-N 3.38Å; S71-M74 PolarHBondContact O-N 3.17Å; S71-K75 VanDerWaalsContact O-CB 3.3Å; S71-K75 WeakPolarHBondContact O-CB 3.49Å; S71-K75 PolarHBondContact O-N 3.17Å
72E97.6Very high94.9Very high96 Ų9676.3 Ų76.345%0.44939%0.394SS..Hα-helixtrans-67.8-36.7177.3-66.5-65.416700112.6R68 E69 K75 S76R68-E72 WeakPolarHBondContact O-CG 3.45Å; R68-E72 PolarHBondContact O-N 3.5Å; R68-E72 VanDerWaalsContact O-N 3.11Å; E69-E72 PolarHBondContact O-N 3.04Å; E72-K75 PolarHBondContact O-N 3.44Å; E72-S76 PolarHBondContact O-N 3.48Å; E72-S76 PolarHBondContact O-OG 3.07Å
73I97.3Very high96.1Very high20 Ų2070.5 Ų70.510%0.10336%0.359CS..Hα-helixtrans-61.9-52.5172.3-73.9160.3000109.7L53 I57 F65 E69 A70 K75 S76 I77 L110L53-I73 HydrophobicContact CD1-CD1 3.94Å; L53-I73 HydrophobicContact CD1-CG1 4.13Å; L53-I73 HydrophobicContact CD1-CG2 3.79Å; L53-I73 HydrophobicContact CD2-CG2 3.71Å; L53-I73 HydrophobicContact CG-CG2 4.39Å; I57-I73 HydrophobicContact CD1-CD1 4.46Å; F65-I73 HydrophobicContact CE2-CD1 3.67Å; F65-I73 HydrophobicContact CZ-CD1 3.75Å; E69-I73 WeakPolarHBondContact O-CG1 3.49Å; E69-I73 PolarHBondContact O-N 3.08Å; A70-I73 PolarHBondContact O-N 2.81Å; I73-K75 VanDerWaalsContact C-N 3.26Å; I73-K75 PolarHBondContact O-N 3.39Å; I73-S76 WeakPolarHBondContact O-CB 3.35Å; I73-S76 PolarHBondContact O-N 3.04Å; I73-I77 HydrophobicContact CG2-CD1 3.98Å; I73-I77 WeakPolarHBondContact O-CG1 3.34Å; I73-I77 PolarHBondContact O-N 3.29Å; I73-L110 HydrophobicContact CG2-CD2 4.03Å
74M98.3Very high96.7Very high31 Ų3163.7 Ų63.715%0.15333%0.327CS..Hα-helixtrans-62.7-34.7-179.7-73.7-52-52.100112.4A70 S71 I77 G78 L156 I159 M160A70-M74 WeakPolarHBondContact O-CB 3.43Å; A70-M74 WeakPolarHBondContact O-CG 3.3Å; A70-M74 PolarHBondContact O-N 3.06Å; S71-M74 PolarHBondContact O-N 3.17Å; M74-I77 PolarHBondContact O-N 3.44Å; M74-I77 HydrophobicContact SD-CD1 4.04Å; M74-G78 PolarHBondContact O-N 3.19Å; M74-L156 HydrophobicContact CE-CB 4.28Å; M74-L156 HydrophobicContact CE-CD2 3.65Å; M74-L156 WeakPolarHBondContact CE-O 3.06Å; M74-I159 HydrophobicContact SD-CG2 4.01Å; M74-M160 HydrophobicContact CE-CB 3.85Å; M74-M160 HydrophobicContact CG-CB 4.18Å; M74-M160 HydrophobicContact CG-CG 4.14Å; M74-M160 HydrophobicContact SD-CB 3.83Å; M74-M160 HydrophobicContact SD-CG 4.45Å
75K98.4Very high97.1Very high114 Ų11461.3 Ų61.350%0.49630%0.302SS..Hα-helixtrans-61.8-46.5171.7179.8-177.7169.8-170.30111.5S71 E72 I73 I77 G78 E79S71-K75 VanDerWaalsContact O-CB 3.3Å; S71-K75 WeakPolarHBondContact O-CB 3.49Å; S71-K75 PolarHBondContact O-N 3.17Å; E72-K75 PolarHBondContact O-N 3.44Å; I73-K75 VanDerWaalsContact C-N 3.26Å; I73-K75 PolarHBondContact O-N 3.39Å; K75-I77 VanDerWaalsContact C-N 3.35Å; K75-I77 PolarHBondContact O-N 2.82Å; K75-G78 CarbonylContact O-C 3.56Å; K75-G78 PolarHBondContact O-N 2.99Å; K75-E79 WeakPolarHBondContact CE-OE1 3.49Å; K75-E79 HydrophobicContact CG-CG 4.48Å; K75-E79 WeakPolarHBondContact O-CG 3.02Å; K75-E79 PolarHBondContact O-N 2.84Å
76S98.4Very high97.3Very high24 Ų2461.5 Ų61.517%0.16831%0.313CS..Hα-helixtrans-59.5-44.6178.2-58.50000112H23 E72 I73 E79 A80H23-S76 WeakPolarHBondContact CB-O 3.47Å; E72-S76 PolarHBondContact O-N 3.48Å; E72-S76 PolarHBondContact O-OG 3.07Å; I73-S76 WeakPolarHBondContact O-CB 3.35Å; I73-S76 PolarHBondContact O-N 3.04Å; S76-E79 PolarHBondContact O-N 3.07Å; S76-A80 PolarHBondContact O-N 2.83Å
77I98.5Very high97.3Very high3 Ų360.6 Ų60.62%0.01531%0.305CS..Hα-helixtrans-65.8-44.4175.8-53.1165.3000109.7L53 I73 M74 K75 E79 A80 I81 V94 L99 L110 L156 I159L53-I77 HydrophobicContact CD2-CD1 4.3Å; I73-I77 HydrophobicContact CG2-CD1 3.98Å; I73-I77 WeakPolarHBondContact O-CG1 3.34Å; I73-I77 PolarHBondContact O-N 3.29Å; M74-I77 PolarHBondContact O-N 3.44Å; M74-I77 HydrophobicContact SD-CD1 4.04Å; K75-I77 VanDerWaalsContact C-N 3.35Å; K75-I77 PolarHBondContact O-N 2.82Å; I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 2.74Å; I77-A80 WeakPolarHBondContact O-CB 3.21Å; I77-A80 PolarHBondContact O-N 3.42Å; I77-I81 HydrophobicContact CG2-CG1 4.44Å; I77-I81 WeakPolarHBondContact O-CG1 3.36Å; I77-I81 PolarHBondContact O-N 2.83Å; I77-V94 HydrophobicContact CG2-CG1 4.37Å; I77-L99 HydrophobicContact CD1-CD1 3.65Å; I77-L99 HydrophobicContact CD1-CD2 4.48Å; I77-L99 HydrophobicContact CG1-CD1 4.15Å; I77-L99 HydrophobicContact CG1-CD2 4.06Å; I77-L99 HydrophobicContact CG2-CD2 4.25Å; I77-L110 HydrophobicContact CD1-CD2 4.2Å; I77-L110 HydrophobicContact CG1-CD2 3.72Å; I77-L156 HydrophobicContact CB-CD2 3.99Å; I77-L156 HydrophobicContact CG2-CD2 3.47Å; I77-L156 VanDerWaalsContact CG2-CD2 3.47Å; I77-I159 HydrophobicContact CD1-CG2 3.86Å
78G98.4Very high97.2Very high24 Ų2454 Ų5425%0.24728%0.276CS..Hα-helixtrans-58.8-39.7177.600000113.4M74 K75 I81 Q82M74-G78 PolarHBondContact O-N 3.19Å; K75-G78 CarbonylContact O-C 3.56Å; K75-G78 PolarHBondContact O-N 2.99Å; G78-I81 PolarHBondContact O-N 2.95Å; G78-Q82 WeakPolarHBondContact O-CB 3.36Å; G78-Q82 PolarHBondContact O-N 2.89Å
79E98.7Very high97.1Very high72 Ų7244.8 Ų44.834%0.33624%0.241SC..Hα-helixtrans-64.9-39.8175.4-74.9178.8-171.300111.9H23 K75 S76 I77 Y83H23-E79 IonicContact CD2-OE2 2.68Å; H23-E79 PolarHBondContact CD2-OE2 3.07Å; H23-E79 IonicContact NE2-OE2 3.46Å; H23-E79 PolarHBondContact NE2-OE2 2.98Å; K75-E79 WeakPolarHBondContact CE-OE1 3.49Å; K75-E79 HydrophobicContact CG-CG 4.48Å; K75-E79 WeakPolarHBondContact O-CG 3.02Å; K75-E79 PolarHBondContact O-N 2.84Å; S76-E79 PolarHBondContact O-N 3.07Å; I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 2.74Å; E79-Y83 WeakPolarHBondContact O-CB 3.46Å; E79-Y83 PolarHBondContact O-N 3.27Å
80A98.7Very high97.2Very high1 Ų142.2 Ų42.21%0.00823%0.229CC..Hα-helixtrans-62-48.3173.300000111.7H23 I24 S76 I77 Y83 L84 L112H23-A80 HydrophobicContact CB-CB 3.87Å; I24-A80 HydrophobicContact CD1-CB 4.44Å; I24-A80 HydrophobicContact CG1-CB 3.94Å; S76-A80 PolarHBondContact O-N 2.83Å; I77-A80 WeakPolarHBondContact O-CB 3.21Å; I77-A80 PolarHBondContact O-N 3.42Å; A80-Y83 PolarHBondContact O-N 3.43Å; A80-L84 WeakPolarHBondContact O-CG 3.3Å; A80-L84 PolarHBondContact O-N 3.46Å; A80-L112 HydrophobicContact CB-CB 4.27Å; A80-L112 HydrophobicContact CB-CD2 4.34Å
81I98.3Very high97.2Very high3 Ų340.6 Ų40.62%0.01522%0.216CC..Hα-helixtrans-66.4-42.8179.7-60.2-50.5000111.5I77 G78 Y83 L84 H85 V94 L112 D152 M153 L156I77-I81 HydrophobicContact CG2-CG1 4.44Å; I77-I81 WeakPolarHBondContact O-CG1 3.36Å; I77-I81 PolarHBondContact O-N 2.83Å; G78-I81 PolarHBondContact O-N 2.95Å; I81-Y83 VanDerWaalsContact C-N 3.3Å; I81-Y83 PolarHBondContact O-N 3.19Å; I81-L84 PolarHBondContact O-N 2.97Å; I81-H85 VanDerWaalsContact CG2-CE1 3.49Å; I81-H85 WeakPolarHBondContact CG2-CE1 3.43Å; I81-H85 WeakPolarHBondContact O-CB 3.39Å; I81-H85 PolarHBondContact O-CD2 3.47Å; I81-H85 PolarHBondContact O-N 3.37Å; I81-V94 HydrophobicContact CD1-CG2 3.59Å; I81-L112 HydrophobicContact CD1-CD2 3.85Å; I81-D152 HydrophobicContact CD1-CB 4.29Å; I81-D152 HydrophobicContact CG2-CB 3.9Å; I81-M153 HydrophobicContact CG2-SD 4.49Å; I81-L156 HydrophobicContact CB-CD1 4.3Å; I81-L156 HydrophobicContact CG1-CD1 4.21Å; I81-L156 HydrophobicContact CG1-CD2 4.4Å; I81-L156 HydrophobicContact CG1-CG 4.37Å; I81-L156 HydrophobicContact CG2-CD1 4.23Å
82Q97.9Very high97.1Very high138 Ų13840.9 Ų40.965%0.64521%0.205SC*.Hα-helixtrans-58-45.2175.5-177.6-176.737.800110.7G78 H85 S86G78-Q82 WeakPolarHBondContact O-CB 3.36Å; G78-Q82 PolarHBondContact O-N 2.89Å; Q82-H85 PolarHBondContact O-N 3.15Å; Q82-S86 WeakPolarHBondContact O-CB 3.41Å; Q82-S86 PolarHBondContact O-N 3.41Å
83Y98.4Very high97Very high53 Ų5337.7 Ų37.721%0.20819%0.191CC..Hα-helixtrans-58.7-53.8176.8-177.3-93.3000111.1R17 Q20 C21 I24 E79 A80 I81 H85 S86 I87R17-Y83 PolarHBondContact O-OH 3.11Å; Q20-Y83 WeakPolarHBondContact CB-OH 3.45Å; C21-Y83 HydrophobicContact CB-CD1 3.55Å; C21-Y83 HydrophobicContact CB-CD2 4.17Å; C21-Y83 HydrophobicContact CB-CE1 4.04Å; C21-Y83 HydrophobicContact CB-CG 3.63Å; I24-Y83 HydrophobicContact CD1-CD1 4.18Å; E79-Y83 WeakPolarHBondContact O-CB 3.46Å; E79-Y83 PolarHBondContact O-N 3.27Å; A80-Y83 PolarHBondContact O-N 3.43Å; I81-Y83 VanDerWaalsContact C-N 3.3Å; I81-Y83 PolarHBondContact O-N 3.19Å; Y83-H85 VanDerWaalsContact C-N 3.33Å; Y83-H85 PolarHBondContact O-N 2.73Å; Y83-S86 WeakPolarHBondContact O-CB 3.5Å; Y83-S86 PolarHBondContact O-N 3.05Å; Y83-S86 VanDerWaalsContact O-N 3.14Å; Y83-S86 PolarHBondContact O-OG 3.2Å; Y83-I87 HydrophobicContact CD1-CD1 4.23Å; Y83-I87 HydrophobicContact CE1-CD1 3.63Å; Y83-I87 HydrophobicContact CE1-CG1 4.41Å; Y83-I87 PolarHBondContact O-N 2.93Å
84L97.6Very high96.9Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-54.6-48.9177.8-69.8179.2000112A18 I24 A80 I81 S86 I87 N88 I89 H91 L112 F115A18-L84 HydrophobicContact CB-CD2 3.55Å; I24-L84 HydrophobicContact CD1-CD1 4.26Å; I24-L84 HydrophobicContact CD1-CD2 3.69Å; I24-L84 HydrophobicContact CD1-CG 3.75Å; A80-L84 WeakPolarHBondContact O-CG 3.3Å; A80-L84 PolarHBondContact O-N 3.46Å; I81-L84 PolarHBondContact O-N 2.97Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 2.99Å; L84-I87 CarbonylContact O-C 3.57Å; L84-I87 VanDerWaalsContact O-CG1 3.28Å; L84-I87 WeakPolarHBondContact O-CG1 3.15Å; L84-I87 PolarHBondContact O-N 3.36Å; L84-I87 VanDerWaalsContact O-N 3.16Å; L84-N88 PolarHBondContact O-N 2.74Å; L84-N88 VanDerWaalsContact O-N 3.16Å; L84-I89 CarbonylContact C-O 3.56Å; L84-I89 HydrophobicContact CB-CB 4.32Å; L84-I89 WeakPolarHBondContact CB-O 3.39Å; L84-I89 HydrophobicContact CD2-CB 4.18Å; L84-I89 HydrophobicContact CD2-CG2 4.07Å; L84-I89 PolarHBondContact O-N 2.94Å; L84-I89 VanDerWaalsContact O-O 3.12Å; L84-H91 HydrophobicContact CD1-CB 3.88Å; L84-L112 HydrophobicContact CD1-CD2 4.02Å; L84-F115 HydrophobicContact CD1-CE1 4.45Å; L84-F115 HydrophobicContact CD1-CZ 4.42Å; L84-F115 HydrophobicContact CD2-CE1 3.76Å; L84-F115 HydrophobicContact CD2-CZ 4.03Å
85H95.3Very high96.7Very high30 Ų3038.8 Ų38.814%0.13920%0.195CC..Hα-helixtrans-65.4-32-177.7-73.9-164.6000112.3I81 Q82 Y83 I87 N88 I89 K149 D152I81-H85 VanDerWaalsContact CG2-CE1 3.49Å; I81-H85 WeakPolarHBondContact CG2-CE1 3.43Å; I81-H85 WeakPolarHBondContact O-CB 3.39Å; I81-H85 PolarHBondContact O-CD2 3.47Å; I81-H85 PolarHBondContact O-N 3.37Å; Q82-H85 PolarHBondContact O-N 3.15Å; Y83-H85 VanDerWaalsContact C-N 3.33Å; Y83-H85 PolarHBondContact O-N 2.73Å; H85-I87 VanDerWaalsContact C-N 3.33Å; H85-N88 PolarHBondContact O-N 3.14Å; H85-I89 PolarHBondContact CD2-O 2.97Å; H85-I89 VanDerWaalsContact CD2-O 3.31Å; H85-I89 PolarHBondContact N-O 2.79Å; H85-K149 HydrophobicContact CB-CD 4.15Å; H85-K149 PolarHBondContact CE1-O 3.4Å; H85-K149 PolarHBondContact O-NZ 3.41Å; H85-D152 IonicContact CD2-OD2 2.95Å; H85-D152 IonicContact CE1-OD2 3.85Å; H85-D152 IonicContact NE2-OD2 2.81Å; H85-D152 PolarHBondContact NE2-OD2 3.28Å
86S95.8Very high96.3Very high81 Ų8134.9 Ų34.957%0.56618%0.181SC*.Hα-helixtrans-67-31.9176.679.30000113Q82 Y83 L84 N88Q82-S86 WeakPolarHBondContact O-CB 3.41Å; Q82-S86 PolarHBondContact O-N 3.41Å; Y83-S86 WeakPolarHBondContact O-CB 3.5Å; Y83-S86 PolarHBondContact O-N 3.05Å; Y83-S86 VanDerWaalsContact O-N 3.14Å; Y83-S86 PolarHBondContact O-OG 3.2Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 2.99Å; S86-N88 VanDerWaalsContact C-N 3.32Å
87I95.2Very high96.1Very high47 Ų4738.5 Ų38.524%0.24120%0.195CC..THydrogen-bonded Turntrans-97.617.6174.264.5170.6000112.3R17 Y83 L84 H85 I89R17-I87 HydrophobicContact CB-CD1 4.21Å; Y83-I87 HydrophobicContact CD1-CD1 4.23Å; Y83-I87 HydrophobicContact CE1-CD1 3.63Å; Y83-I87 HydrophobicContact CE1-CG1 4.41Å; Y83-I87 PolarHBondContact O-N 2.93Å; L84-I87 CarbonylContact O-C 3.57Å; L84-I87 VanDerWaalsContact O-CG1 3.28Å; L84-I87 WeakPolarHBondContact O-CG1 3.15Å; L84-I87 PolarHBondContact O-N 3.36Å; L84-I87 VanDerWaalsContact O-N 3.16Å; H85-I87 VanDerWaalsContact C-N 3.33Å; I87-I89 HydrophobicContact CD1-CD1 3.59Å; I87-I89 HydrophobicContact CD1-CG1 4.25Å; I87-I89 HydrophobicContact CG1-CB 4.48Å; I87-I89 HydrophobicContact CG1-CD1 3.94Å; I87-I89 HydrophobicContact CG1-CG1 4.03Å; I87-I89 PolarHBondContact O-N 2.75Å
88N92.9Very high96Very high40 Ų4038.9 Ų38.921%0.21420%0.197CC..THydrogen-bonded Turntrans59.637.7177.3-60.3-64.2000115L84 H85 S86 E120 T121 S123 K149L84-N88 PolarHBondContact O-N 2.74Å; L84-N88 VanDerWaalsContact O-N 3.16Å; H85-N88 PolarHBondContact O-N 3.14Å; S86-N88 VanDerWaalsContact C-N 3.32Å; N88-E120 CarbonylContact O-C 3.59Å; N88-E120 WeakPolarHBondContact O-CA 3.33Å; N88-T121 WeakPolarHBondContact CB-O 3.32Å; N88-T121 PolarHBondContact O-N 2.98Å; N88-T121 PolarHBondContact O-OG1 3.36Å; N88-S123 VanDerWaalsContact CG-OG 3.23Å; N88-S123 PolarHBondContact ND2-OG 3.45Å; N88-S123 PolarHBondContact OD1-OG 3.06Å; N88-K149 PolarHBondContact OD1-NZ 3.06Å
89I95.4Very high96Very high0 Ų037.8 Ų37.80%019%0.186CC..EExtended strand (participates in β ladder)trans-110.3135.1171.5-57.7179000108.4L14 R17 L84 H85 I87 A118L14-I89 HydrophobicContact CB-CD1 4.22Å; L14-I89 HydrophobicContact CD2-CD1 3.7Å; L14-I89 HydrophobicContact CD2-CG1 3.84Å; L14-I89 HydrophobicContact CD2-CG2 4.39Å; R17-I89 HydrophobicContact CB-CD1 4.31Å; L84-I89 CarbonylContact C-O 3.56Å; L84-I89 HydrophobicContact CB-CB 4.32Å; L84-I89 WeakPolarHBondContact CB-O 3.39Å; L84-I89 HydrophobicContact CD2-CB 4.18Å; L84-I89 HydrophobicContact CD2-CG2 4.07Å; L84-I89 PolarHBondContact O-N 2.94Å; L84-I89 VanDerWaalsContact O-O 3.12Å; H85-I89 PolarHBondContact CD2-O 2.97Å; H85-I89 VanDerWaalsContact CD2-O 3.31Å; H85-I89 PolarHBondContact N-O 2.79Å; I87-I89 HydrophobicContact CD1-CD1 3.59Å; I87-I89 HydrophobicContact CD1-CG1 4.25Å; I87-I89 HydrophobicContact CG1-CB 4.48Å; I87-I89 HydrophobicContact CG1-CD1 3.94Å; I87-I89 HydrophobicContact CG1-CG1 4.03Å; I87-I89 PolarHBondContact O-N 2.75Å; I89-A118 HydrophobicContact CG2-CB 4.36Å
90A95Very high96Very high0 Ų036.2 Ų36.20%018%0.18CC..EExtended strand (participates in β ladder)trans-106.6137.2164.300000109R92 A118 K119 T121 D148 K149 D152A90-R92 HydrophobicContact CB-CG 3.76Å; A90-A118 VanDerWaalsContact O-CA 3.28Å; A90-A118 WeakPolarHBondContact O-CA 3.3Å; A90-K119 PolarHBondContact N-O 3.16Å; A90-K119 PolarHBondContact O-N 3.44Å; A90-T121 HydrophobicContact CB-CG2 3.72Å; A90-D148 HydrophobicContact CB-CB 3.84Å; A90-K149 HydrophobicContact CB-CG 4.37Å; A90-D152 WeakPolarHBondContact CA-OD2 3.23Å
91H97.1Very high96Very high0 Ų037.1 Ų37.10%018%0.183CC..  trans-77.5-47.2-178.7-169.5-88.1000111.2L84 D93 V94 L112 T113 D114 F117 A118 D152L84-H91 HydrophobicContact CD1-CB 3.88Å; H91-D93 PolarHBondContact CE1-O 2.97Å; H91-D93 VanDerWaalsContact ND1-C 3.33Å; H91-D93 PolarHBondContact ND1-N 3.46Å; H91-D93 PolarHBondContact ND1-O 3.34Å; H91-D93 PolarHBondContact O-N 2.97Å; H91-D93 VanDerWaalsContact O-N 3.16Å; H91-V94 HydrophobicContact CB-CG2 3.75Å; H91-L112 HydrophobicContact CB-CD2 4.42Å; H91-T113 PolarHBondContact CE1-O 2.64Å; H91-T113 VanDerWaalsContact CE1-O 3.29Å; H91-T113 PolarHBondContact NE2-O 3.08Å; H91-D114 PolarHBondContact CE1-O 3.03Å; H91-D114 PolarHBondContact NE2-O 3.01Å; H91-F117 CarbonylContact O-C 3.57Å; H91-A118 WeakPolarHBondContact O-CA 3.28Å; H91-A118 PolarHBondContact O-N 2.96Å; H91-D152 WeakPolarHBondContact CB-OD1 3.49Å; H91-D152 PolarHBondContact N-OD1 3.34Å; H91-D152 PolarHBondContact N-OD2 3.45Å
92R95.1Very high96Very high82 Ų8238.6 Ų38.631%0.30919%0.192SC..SBendtrans64.97175.1-48.6-172.5-57.9164.18.1116.1A90 F117 D148 D152A90-R92 HydrophobicContact CB-CG 3.76Å; R92-F117 HydrophobicContact CB-CB 4.49Å; R92-F117 PolarHBondContact NE-O 3.46Å; R92-F117 PolarHBondContact NH2-O 3.05Å; R92-D148 WeakPolarHBondContact CD-OD1 3.42Å; R92-D148 IonicContact CZ-OD1 3.81Å; R92-D148 IonicContact NE-OD1 3.15Å; R92-D148 IonicContact NH1-OD1 3.37Å; R92-D148 PolarHBondContact NH1-OD1 3.3Å; R92-D152 PolarHBondContact N-OD1 3.38Å
93D95.6Very high95.9Very high28 Ų2833.4 Ų33.415%0.1517%0.171CC..  trans-142.642.9173.9-164.633.6000111.3H91 K95 N98 F117H91-D93 PolarHBondContact CE1-O 2.97Å; H91-D93 VanDerWaalsContact ND1-C 3.33Å; H91-D93 PolarHBondContact ND1-N 3.46Å; H91-D93 PolarHBondContact ND1-O 3.34Å; H91-D93 PolarHBondContact O-N 2.97Å; H91-D93 VanDerWaalsContact O-N 3.16Å; D93-K95 PolarHBondContact O-N 3.4Å; D93-K95 WeakPolarHBondContact OD1-CD 3.46Å; D93-K95 IonicContact OD1-NZ 3.21Å; D93-K95 PolarHBondContact OD1-NZ 2.96Å; D93-K95 WeakPolarHBondContact OD2-CE 3.49Å; D93-K95 IonicContact OD2-NZ 3.27Å; D93-K95 PolarHBondContact OD2-NZ 2.79Å; D93-N98 PolarHBondContact O-ND2 3.41Å; D93-N98 PolarHBondContact OD2-ND2 3Å; D93-F117 HydrophobicContact CB-CB 4.02Å; D93-F117 HydrophobicContact CB-CD2 3.76Å; D93-F117 HydrophobicContact CB-CG 4.18Å
94V95.9Very high95.8Very high5 Ų539.5 Ų39.53%0.0320%0.199CC..  trans-78.6115.9176.7-176.50000108.5I77 I81 H91 L112 D152 S155 I159I77-V94 HydrophobicContact CG2-CG1 4.37Å; I81-V94 HydrophobicContact CD1-CG2 3.59Å; H91-V94 HydrophobicContact CB-CG2 3.75Å; V94-L112 HydrophobicContact CG1-CD1 4.43Å; V94-L112 HydrophobicContact CG2-CD1 4.42Å; V94-L112 HydrophobicContact CG2-CD2 4.5Å; V94-D152 HydrophobicContact CG2-CB 4.43Å; V94-S155 WeakPolarHBondContact O-CB 3.25Å; V94-S155 PolarHBondContact O-OG 3.34Å; V94-I159 HydrophobicContact CG1-CD1 3.79Å
95K93.1Very high95.6Very high70 Ų7048 Ų4830%0.30423%0.231SC..SBendtrans-159.7162.7-174.262.1-178.5-177.9-142.40110.8D93 E97 N98D93-K95 PolarHBondContact O-N 3.4Å; D93-K95 WeakPolarHBondContact OD1-CD 3.46Å; D93-K95 IonicContact OD1-NZ 3.21Å; D93-K95 PolarHBondContact OD1-NZ 2.96Å; D93-K95 WeakPolarHBondContact OD2-CE 3.49Å; D93-K95 IonicContact OD2-NZ 3.27Å; D93-K95 PolarHBondContact OD2-NZ 2.79Å; K95-E97 VanDerWaalsContact C-N 3.26Å; K95-E97 WeakPolarHBondContact CB-OE2 3.34Å; K95-E97 WeakPolarHBondContact CD-OE2 3.31Å; K95-E97 WeakPolarHBondContact CG-OE2 3.49Å; K95-E97 PolarHBondContact O-N 3.39Å; K95-E97 VanDerWaalsContact O-N 3.16Å; K95-N98 WeakPolarHBondContact CE-ND2 3.38Å; K95-N98 HydrophobicContact CG-CB 4.26Å; K95-N98 PolarHBondContact O-N 2.87Å
96P91.4Very high95.2Very high32 Ų3252.4 Ų52.421%0.20826%0.262CS..G310 helixtrans-44.6-44.8-179.1-35.740.8000115.7F54 N98 L99F54-P96 HydrophobicContact CD2-CB 3.6Å; F54-P96 HydrophobicContact CD2-CG 3.87Å; F54-P96 HydrophobicContact CE2-CB 3.84Å; F54-P96 HydrophobicContact CE2-CG 3.62Å; P96-N98 PolarHBondContact O-N 3.39Å; P96-L99 PolarHBondContact O-N 2.91Å; P96-L99 VanDerWaalsContact O-N 3.16Å
97E93.3Very high95Very high99 Ų9954.7 Ų54.746%0.46327%0.268SS..G310 helixtrans-68.9-22.7-173.9-55.183174.400112.3K95K95-E97 VanDerWaalsContact C-N 3.26Å; K95-E97 WeakPolarHBondContact CB-OE2 3.34Å; K95-E97 WeakPolarHBondContact CD-OE2 3.31Å; K95-E97 WeakPolarHBondContact CG-OE2 3.49Å; K95-E97 PolarHBondContact O-N 3.39Å; K95-E97 VanDerWaalsContact O-N 3.16Å
98N97.8Very high95Very high11 Ų1153.1 Ų53.16%0.05926%0.262CS..G310 helixtrans-96.39179.5-73.3-16.7000112.8D93 K95 P96 L112 T113D93-N98 PolarHBondContact O-ND2 3.41Å; D93-N98 PolarHBondContact OD2-ND2 3Å; K95-N98 WeakPolarHBondContact CE-ND2 3.38Å; K95-N98 HydrophobicContact CG-CB 4.26Å; K95-N98 PolarHBondContact O-N 2.87Å; P96-N98 PolarHBondContact O-N 3.39Å; N98-L112 HydrophobicContact CB-CD1 4.37Å; N98-L112 CarbonylContact O-C 3.46Å; N98-L112 WeakPolarHBondContact O-CA 3.48Å; N98-T113 WeakPolarHBondContact CA-OG1 3.5Å; N98-T113 WeakPolarHBondContact CB-O 3.34Å; N98-T113 PolarHBondContact O-N 3.02Å; N98-T113 PolarHBondContact O-OG1 3.08Å
99L98.2Very high95.3Very high2 Ų255 Ų551%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-116.296.6179.9-66.9175.4000109.8L53 I77 P96 L110 L112 I159L53-L99 HydrophobicContact CB-CB 4.12Å; L53-L99 HydrophobicContact CD2-CD1 4Å; L53-L99 PolarHBondContact N-O 3.35Å; I77-L99 HydrophobicContact CD1-CD1 3.65Å; I77-L99 HydrophobicContact CD1-CD2 4.48Å; I77-L99 HydrophobicContact CG1-CD1 4.15Å; I77-L99 HydrophobicContact CG1-CD2 4.06Å; I77-L99 HydrophobicContact CG2-CD2 4.25Å; P96-L99 PolarHBondContact O-N 2.91Å; P96-L99 VanDerWaalsContact O-N 3.16Å; L99-L110 HydrophobicContact CB-CD1 4.19Å; L99-L112 HydrophobicContact CD2-CB 4.43Å; L99-L112 HydrophobicContact CD2-CD1 3.94Å; L99-I159 HydrophobicContact CD1-CD1 3.78Å; L99-I159 HydrophobicContact CD1-CG2 4.35Å
100L98.3Very high95.4Very high39 Ų3955.2 Ų55.220%0.20427%0.273CS..EExtended strand (participates in β ladder)trans-115.6143.3-170.6-57.6-175.5000111.7L48 G51 E52 K111 T113L48-L100 HydrophobicContact CB-CB 4.2Å; L48-L100 HydrophobicContact CB-CD1 4.47Å; L48-L100 HydrophobicContact CD1-CB 3.8Å; L48-L100 HydrophobicContact CD1-CD1 4.16Å; G51-L100 WeakPolarHBondContact O-CA 3.43Å; E52-L100 HydrophobicContact CB-CD2 4.29Å; E52-L100 HydrophobicContact CG-CD2 3.65Å; L100-K111 PolarHBondContact N-O 3.39Å; L100-K111 PolarHBondContact O-N 3.05Å; L100-T113 HydrophobicContact CB-CG2 4.43Å; L100-T113 HydrophobicContact CD1-CG2 4.04Å; L100-T113 HydrophobicContact CG-CG2 4.22Å
101Y98.3Very high95.6Very high19 Ų1956 Ų568%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-86144.8172.5-80-73000112L48 G50 G51 L53 R56 S103 A108 I109 L110L48-Y101 CarbonylContact C-O 3.51Å; G50-Y101 VanDerWaalsContact CA-O 3.22Å; G50-Y101 WeakPolarHBondContact CA-O 3.44Å; G50-Y101 PolarHBondContact N-O 3.33Å; G51-Y101 PolarHBondContact O-N 3.41Å; L53-Y101 HydrophobicContact CD1-CE2 3.74Å; L53-Y101 WeakPolarHBondContact CD1-OH 3.46Å; R56-Y101 HydrophobicContact CB-CD2 4.12Å; R56-Y101 HydrophobicContact CB-CE2 4.03Å; R56-Y101 HydrophobicContact CG-CD2 4.35Å; R56-Y101 HydrophobicContact CG-CE2 4.28Å; R56-Y101 VanDerWaalsContact NH1-CZ 3.28Å; Y101-S103 VanDerWaalsContact C-N 3.26Å; Y101-S103 PolarHBondContact O-N 2.96Å; Y101-A108 HydrophobicContact CD1-CB 3.94Å; Y101-A108 WeakPolarHBondContact CD1-O 3.44Å; Y101-A108 HydrophobicContact CG-CB 4.41Å; Y101-I109 WeakPolarHBondContact CA-O 3.28Å; Y101-L110 HydrophobicContact CD1-CB 4.16Å; Y101-L110 HydrophobicContact CD1-CD1 4.24Å; Y101-L110 HydrophobicContact CD2-CD1 4.1Å; Y101-L110 HydrophobicContact CE1-CB 3.76Å; Y101-L110 HydrophobicContact CE1-CD1 4.07Å; Y101-L110 HydrophobicContact CE1-CG 4.5Å; Y101-L110 HydrophobicContact CE2-CD1 3.96Å; Y101-L110 HydrophobicContact CG-CD1 4.26Å
102T97.9Very high95.7Very high34 Ų3456.1 Ų56.121%0.20928%0.276CS..SBendtrans-62.4-30.5176.554.30000113.7L48 D49 I109 K111L48-T102 HydrophobicContact CD2-CG2 3.87Å; D49-T102 PolarHBondContact N-O 3.44Å; T102-I109 HydrophobicContact CG2-CB 4.05Å; T102-I109 PolarHBondContact N-O 3.31Å; T102-I109 PolarHBondContact OG1-N 3.16Å; T102-I109 VanDerWaalsContact OG1-N 3.12Å; T102-K111 HydrophobicContact CG2-CD 3.65Å; T102-K111 HydrophobicContact CG2-CG 4.4Å
103S97.3Very high95.8Very high30 Ų3053 Ų5321%0.2127%0.267CS..  trans-161174.2179.271.20000111.7G50 Y101 R105 A108G50-S103 VanDerWaalsContact CA-O 3.26Å; G50-S103 WeakPolarHBondContact CA-O 3.38Å; Y101-S103 VanDerWaalsContact C-N 3.26Å; Y101-S103 PolarHBondContact O-N 2.96Å; S103-R105 PolarHBondContact O-N 2.75Å; S103-R105 PolarHBondContact OG-N 3.39Å; S103-A108 WeakPolarHBondContact O-CB 3.28Å
104K94.4Very high95.8Very high181 Ų18155 Ų5579%0.78728%0.277SS*.SBendtrans-77.9-2174.1-61.2-177.2179.1-176.90113.9
105R93.8Very high95.9Very high177 Ų17754.8 Ų54.867%0.66828%0.276SS*.SBendtrans-71.9151.3-177.3-62.8-177.4-178.7176.92.1110.9R56 S103 N107 A108R56-R105 PolarHBondContact NH2-O 3.48Å; S103-R105 PolarHBondContact O-N 2.75Å; S103-R105 PolarHBondContact OG-N 3.39Å; R105-N107 WeakPolarHBondContact CB-OD1 3.18Å; R105-N107 PolarHBondContact O-N 3.25Å; R105-A108 VanDerWaalsContact O-CB 3.25Å; R105-A108 WeakPolarHBondContact O-CB 3.3Å; R105-A108 PolarHBondContact O-N 2.96Å
106P87.8Confident95.9Very high123 Ų12352.2 Ų52.280%0.79927%0.27SS*.THydrogen-bonded Turntrans-53-39.9179.7-28.836.2000113.9R56 A108R56-P106 PolarHBondContact NH2-O 3.3Å; P106-A108 VanDerWaalsContact C-N 3.29Å; P106-A108 PolarHBondContact O-N 3.41Å
107N90.7Very high95.9Very high130 Ų13055.9 Ų55.970%0.69528%0.282SS*.THydrogen-bonded Turntrans-86.817.6-179.169.2-34.2000114.6R105R105-N107 WeakPolarHBondContact CB-OD1 3.18Å; R105-N107 PolarHBondContact O-N 3.25Å
108A96.4Very high95.9Very high14 Ų1451.9 Ų51.912%0.11627%0.266CS..PPolyproline II helixtrans-62.5140.8178.100000112.1Y101 S103 R105 P106Y101-A108 HydrophobicContact CD1-CB 3.94Å; Y101-A108 WeakPolarHBondContact CD1-O 3.44Å; Y101-A108 HydrophobicContact CG-CB 4.41Å; S103-A108 WeakPolarHBondContact O-CB 3.28Å; R105-A108 VanDerWaalsContact O-CB 3.25Å; R105-A108 WeakPolarHBondContact O-CB 3.3Å; R105-A108 PolarHBondContact O-N 2.96Å; P106-A108 VanDerWaalsContact C-N 3.29Å; P106-A108 PolarHBondContact O-N 3.41Å
109I98Very high95.6Very high78 Ų7854.9 Ų54.940%0.428%0.279SS..PPolyproline II helixtrans-88.5135-178.7-60.1173.2000108.1Y101 T102 K111Y101-I109 WeakPolarHBondContact CA-O 3.28Å; T102-I109 HydrophobicContact CG2-CB 4.05Å; T102-I109 PolarHBondContact N-O 3.31Å; T102-I109 PolarHBondContact OG1-N 3.16Å; T102-I109 VanDerWaalsContact OG1-N 3.12Å; I109-K111 HydrophobicContact CG2-CG 4.33Å
110L98.4Very high95.3Very high6 Ų659.6 Ų59.63%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-81.5133.1172.3-172.666.6000109.8H23 L53 I73 I77 L99 Y101H23-L110 PolarHBondContact ND1-O 3.4Å; L53-L110 HydrophobicContact CB-CD1 4.18Å; L53-L110 HydrophobicContact CD1-CD1 4.24Å; L53-L110 HydrophobicContact CD1-CD2 4.22Å; L53-L110 HydrophobicContact CD2-CD2 4.31Å; I73-L110 HydrophobicContact CG2-CD2 4.03Å; I77-L110 HydrophobicContact CD1-CD2 4.2Å; I77-L110 HydrophobicContact CG1-CD2 3.72Å; L99-L110 HydrophobicContact CB-CD1 4.19Å; Y101-L110 HydrophobicContact CD1-CB 4.16Å; Y101-L110 HydrophobicContact CD1-CD1 4.24Å; Y101-L110 HydrophobicContact CD2-CD1 4.1Å; Y101-L110 HydrophobicContact CE1-CB 3.76Å; Y101-L110 HydrophobicContact CE1-CD1 4.07Å; Y101-L110 HydrophobicContact CE1-CG 4.5Å; Y101-L110 HydrophobicContact CE2-CD1 3.96Å; Y101-L110 HydrophobicContact CG-CD1 4.26Å
111K98.7Very high94.7Very high17 Ų1758 Ų587%0.07429%0.293CS..EExtended strand (participates in β ladder)trans-131.6138.5-178.2-74.4174.8171.6-87.80111.8P22 H23 I24 E46 L48 L100 T102 I109P22-K111 VanDerWaalsContact O-CE 3.25Å; P22-K111 WeakPolarHBondContact O-CE 3.49Å; P22-K111 PolarHBondContact O-NZ 3.34Å; H23-K111 CarbonylContact O-C 3.57Å; H23-K111 WeakPolarHBondContact O-CA 3.47Å; I24-K111 PolarHBondContact O-NZ 3.02Å; E46-K111 VanDerWaalsContact CD-CE 3.5Å; E46-K111 VanDerWaalsContact OE1-CD 3.27Å; E46-K111 WeakPolarHBondContact OE1-CD 3.25Å; E46-K111 WeakPolarHBondContact OE1-CE 3.38Å; E46-K111 IonicContact OE1-NZ 2.79Å; E46-K111 PolarHBondContact OE1-NZ 2.93Å; E46-K111 WeakPolarHBondContact OE2-CE 3.23Å; E46-K111 IonicContact OE2-NZ 3.29Å; E46-K111 PolarHBondContact OE2-NZ 2.88Å; L48-K111 HydrophobicContact CD1-CB 4.33Å; L48-K111 HydrophobicContact CD2-CD 3.73Å; L100-K111 PolarHBondContact N-O 3.39Å; L100-K111 PolarHBondContact O-N 3.05Å; T102-K111 HydrophobicContact CG2-CD 3.65Å; T102-K111 HydrophobicContact CG2-CG 4.4Å; I109-K111 HydrophobicContact CG2-CG 4.33Å
112L98.8Very high93.4Very high1 Ų160.4 Ų60.41%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-81.2138170.7-178.563.3000110.6H23 I24 V25 A80 I81 L84 H91 V94 N98 L99H23-L112 PolarHBondContact O-N 3.29Å; I24-L112 HydrophobicContact CG1-CB 4.48Å; V25-L112 PolarHBondContact N-O 2.79Å; A80-L112 HydrophobicContact CB-CB 4.27Å; A80-L112 HydrophobicContact CB-CD2 4.34Å; I81-L112 HydrophobicContact CD1-CD2 3.85Å; L84-L112 HydrophobicContact CD1-CD2 4.02Å; H91-L112 HydrophobicContact CB-CD2 4.42Å; V94-L112 HydrophobicContact CG1-CD1 4.43Å; V94-L112 HydrophobicContact CG2-CD1 4.42Å; V94-L112 HydrophobicContact CG2-CD2 4.5Å; N98-L112 HydrophobicContact CB-CD1 4.37Å; N98-L112 CarbonylContact O-C 3.46Å; N98-L112 WeakPolarHBondContact O-CA 3.48Å; L99-L112 HydrophobicContact CD2-CB 4.43Å; L99-L112 HydrophobicContact CD2-CD1 3.94Å
113T98.3Very high91.5Very high17 Ų1762.6 Ų62.610%0.10433%0.326CS..  trans-131.6171.3-17769.90000112.6V25 L48 H91 N98 L100V25-T113 HydrophobicContact CB-CG2 3.96Å; V25-T113 HydrophobicContact CG1-CG2 3.85Å; L48-T113 HydrophobicContact CD1-CG2 3.65Å; H91-T113 PolarHBondContact CE1-O 2.64Å; H91-T113 VanDerWaalsContact CE1-O 3.29Å; H91-T113 PolarHBondContact NE2-O 3.08Å; N98-T113 WeakPolarHBondContact CA-OG1 3.5Å; N98-T113 WeakPolarHBondContact CB-O 3.34Å; N98-T113 PolarHBondContact O-N 3.02Å; N98-T113 PolarHBondContact O-OG1 3.08Å; L100-T113 HydrophobicContact CB-CG2 4.43Å; L100-T113 HydrophobicContact CD1-CG2 4.04Å; L100-T113 HydrophobicContact CG-CG2 4.22Å
114D95.6Very high89.3Confident70 Ų7068.4 Ų68.437%0.37435%0.349SS..  trans64.893.9173.7-166.2-8.5000115.5H91 G116H91-D114 PolarHBondContact CE1-O 3.03Å; H91-D114 PolarHBondContact NE2-O 3.01Å; D114-G116 PolarHBondContact OD1-N 3.22Å
115F97.1Very high86.8Confident1 Ų166.3 Ų66.30%0.00435%0.347CS..  trans-93.714.3-179.5-78.4-113.5000112.9E11 L14 H15 A18 I24 L84 F117 A118E11-F115 HydrophobicContact CG-CB 4.1Å; L14-F115 HydrophobicContact CB-CD1 4.39Å; H15-F115 HydrophobicContact CB-CB 3.88Å; H15-F115 HydrophobicContact CB-CD1 3.92Å; H15-F115 HydrophobicContact CB-CD2 3.9Å; H15-F115 HydrophobicContact CB-CE1 4.48Å; H15-F115 HydrophobicContact CB-CE2 4.47Å; H15-F115 HydrophobicContact CB-CG 3.62Å; H15-F115 AromaticContact CD2-CD2 3.62Å; H15-F115 AromaticContact CD2-CE2 3.55Å; H15-F115 AromaticContact CG-CD2 3.49Å; H15-F115 VanDerWaalsContact CG-CD2 3.49Å; H15-F115 AromaticContact CG-CE2 3.92Å; H15-F115 AromaticContact CG-CG 3.77Å; H15-F115 AromaticContact ND1-CD2 3.79Å; H15-F115 AromaticContact NE2-CE2 3.93Å; A18-F115 HydrophobicContact CB-CE1 3.45Å; A18-F115 VanDerWaalsContact CB-CE1 3.45Å; A18-F115 HydrophobicContact CB-CZ 3.46Å; A18-F115 VanDerWaalsContact CB-CZ 3.46Å; I24-F115 HydrophobicContact CD1-CZ 4.38Å; I24-F115 HydrophobicContact CG2-CE2 3.76Å; I24-F115 HydrophobicContact CG2-CZ 3.67Å; L84-F115 HydrophobicContact CD1-CE1 4.45Å; L84-F115 HydrophobicContact CD1-CZ 4.42Å; L84-F115 HydrophobicContact CD2-CE1 3.76Å; L84-F115 HydrophobicContact CD2-CZ 4.03Å; F115-F117 PolarHBondContact O-N 3.24Å; F115-A118 HydrophobicContact CB-CB 3.9Å; F115-A118 HydrophobicContact CD1-CB 3.6Å; F115-A118 HydrophobicContact CG-CB 4.12Å; F115-A118 VanDerWaalsContact O-CB 3.3Å; F115-A118 WeakPolarHBondContact O-CB 3.47Å; F115-A118 PolarHBondContact O-N 2.83Å
116G92.9Very high84.3Confident16 Ų1663.1 Ų63.117%0.16535%0.352CS..THydrogen-bonded Turntrans-61-20.3-175.600000115K7 D114K7-G116 WeakPolarHBondContact CE-O 3.41Å; D114-G116 PolarHBondContact OD1-N 3.22Å
117F91.8Very high82Confident109 Ų10963.4 Ų63.448%0.47835%0.346SS..THydrogen-bonded Turntrans-109-3.3173.6-65.3-84000113.7H91 R92 D93 F115H91-F117 CarbonylContact O-C 3.57Å; R92-F117 HydrophobicContact CB-CB 4.49Å; R92-F117 PolarHBondContact NE-O 3.46Å; R92-F117 PolarHBondContact NH2-O 3.05Å; D93-F117 HydrophobicContact CB-CB 4.02Å; D93-F117 HydrophobicContact CB-CD2 3.76Å; D93-F117 HydrophobicContact CB-CG 4.18Å; F115-F117 PolarHBondContact O-N 3.24Å
118A94.1Very high79.6Confident15 Ų1563.5 Ų63.512%0.12435%0.351CS..  trans-62.3148.2-178.200000111.3L14 I89 A90 H91 F115L14-A118 HydrophobicContact CD1-CB 4.05Å; L14-A118 WeakPolarHBondContact CD1-O 3.48Å; I89-A118 HydrophobicContact CG2-CB 4.36Å; A90-A118 VanDerWaalsContact O-CA 3.28Å; A90-A118 WeakPolarHBondContact O-CA 3.3Å; H91-A118 WeakPolarHBondContact O-CA 3.28Å; H91-A118 PolarHBondContact O-N 2.96Å; F115-A118 HydrophobicContact CB-CB 3.9Å; F115-A118 HydrophobicContact CD1-CB 3.6Å; F115-A118 HydrophobicContact CG-CB 4.12Å; F115-A118 VanDerWaalsContact O-CB 3.3Å; F115-A118 WeakPolarHBondContact O-CB 3.47Å; F115-A118 PolarHBondContact O-N 2.83Å
119K91.4Very high77Confident73 Ų7368 Ų6832%0.31738%0.377SS..EExtended strand (participates in β ladder)trans-149.5142.4-179.2-171.2-171.1159.4-149.10110.6A90 T121 D148A90-K119 PolarHBondContact N-O 3.16Å; A90-K119 PolarHBondContact O-N 3.44Å; K119-T121 PolarHBondContact O-N 3.25Å; K119-D148 IonicContact NZ-OD2 2.89Å; K119-D148 PolarHBondContact NZ-OD2 2.88Å
120E91.7Very high74.1Confident102 Ų10268 Ų6848%0.47738%0.382SS..EExtended strand (participates in β ladder)trans-70.3124.5167.1-166.4155.2-150.400109.7L14 R17 N88L14-E120 HydrophobicContact CD2-CB 4.17Å; R17-E120 IonicContact CZ-OE1 2.73Å; R17-E120 IonicContact CZ-OE2 3.73Å; R17-E120 IonicContact NH1-OE1 2.75Å; R17-E120 PolarHBondContact NH1-OE1 2.69Å; R17-E120 IonicContact NH1-OE2 3.39Å; R17-E120 VanDerWaalsContact NH2-CD 3.33Å; R17-E120 IonicContact NH2-OE1 3.67Å; R17-E120 PolarHBondContact NH2-OE1 3.11Å; R17-E120 IonicContact NH2-OE2 3.36Å; R17-E120 PolarHBondContact NH2-OE2 3.35Å; N88-E120 CarbonylContact O-C 3.59Å; N88-E120 WeakPolarHBondContact O-CA 3.33Å
121T84.4Confident71.3Confident6 Ų672.9 Ų72.94%0.03742%0.416CS..PPolyproline II helixtrans-92143.917462.50000108.1N88 A90 K119 D148 K149N88-T121 WeakPolarHBondContact CB-O 3.32Å; N88-T121 PolarHBondContact O-N 2.98Å; N88-T121 PolarHBondContact O-OG1 3.36Å; A90-T121 HydrophobicContact CB-CG2 3.72Å; K119-T121 PolarHBondContact O-N 3.25Å; T121-D148 HydrophobicContact CG2-CB 3.65Å; T121-K149 HydrophobicContact CG2-CG 4.08Å; T121-K149 WeakPolarHBondContact OG1-CE 3.42Å
122T72.8Confident68.5Low68 Ų6881.2 Ų81.242%0.41745%0.448SS..PPolyproline II helixtrans-70.9143.1171.772.90000109.3H124 E145T122-H124 PolarHBondContact O-N 3.32Å; T122-H124 PolarHBondContact OG1-CD2 3.44Å; T122-E145 VanDerWaalsContact CB-OE2 3.3Å; T122-E145 WeakPolarHBondContact CB-OE2 3.33Å; T122-E145 VanDerWaalsContact CG2-OE2 3.28Å; T122-E145 WeakPolarHBondContact CG2-OE2 3.46Å; T122-E145 PolarHBondContact OG1-OE2 3.42Å
123S56.9Low65.9Low81 Ų8185.4 Ų85.457%0.56647%0.474SS*.  trans-7161.8167.3-39.90000109.2N88 N125N88-S123 VanDerWaalsContact CG-OG 3.23Å; N88-S123 PolarHBondContact ND2-OG 3.45Å; N88-S123 PolarHBondContact OD1-OG 3.06Å; S123-N125 VanDerWaalsContact C-N 3.27Å; S123-N125 PolarHBondContact O-N 3.16Å
124H51Low63.6Low151 Ų15189.8 Ų89.870%0.69950%0.503SS*.  trans-68.1104.2156.2-89.6-62.9000105.3T122 S126T122-H124 PolarHBondContact O-N 3.32Å; T122-H124 PolarHBondContact OG1-CD2 3.44Å; H124-S126 VanDerWaalsContact C-N 3.29Å; H124-S126 PolarHBondContact O-N 2.93Å
125N42.2Very low61.3Low138 Ų13896 Ų9674%0.73852%0.523SS*.  trans-31.8108149.1-76.3-23.3000105.3S123 L127S123-N125 VanDerWaalsContact C-N 3.27Å; S123-N125 PolarHBondContact O-N 3.16Å; N125-L127 PolarHBondContact O-N 3.14Å
126S41.8Very low59Low109 Ų109105.2 Ų105.276%0.76256%0.559SS**  trans-49.3103.2154-59.80000102.2H124 T128H124-S126 VanDerWaalsContact C-N 3.29Å; H124-S126 PolarHBondContact O-N 2.93Å; S126-T128 VanDerWaalsContact C-N 3.31Å; S126-T128 PolarHBondContact O-N 3.45Å
127L38.5Very low57Low129 Ų129107.7 Ų107.768%0.67557%0.571SS**  trans-49.5108.1-176.5-88.7121.1000105.1N125 T129 P130N125-L127 PolarHBondContact O-N 3.14Å; L127-T129 PolarHBondContact O-N 3.33Å; L127-P130 WeakPolarHBondContact O-CD 3.33Å
128T40.5Very low55Low133 Ų133104.2 Ų104.282%0.81656%0.562SS**SBendtrans-58.898.3156.326.60000103.5S126S126-T128 VanDerWaalsContact C-N 3.31Å; S126-T128 PolarHBondContact O-N 3.45Å
129T42.3Very low52.9Low107 Ų107107.4 Ų107.466%0.65658%0.581SS**  trans7697.2179.7-10000117.1L127L127-T129 PolarHBondContact O-N 3.33Å
130P37.2Very low51Low78 Ų78110.9 Ų110.951%0.50660%0.598SS.*  -85.7126.5125.433.5-23.9000107.2L127 Y132L127-P130 WeakPolarHBondContact O-CD 3.33Å; P130-Y132 HydrophobicContact CB-CD2 4.03Å; P130-Y132 PolarHBondContact O-N 2.95Å
131C39.6Very low49.1Very low110 Ų110110.8 Ų110.874%0.74361%0.605SS**SBendtrans-66.765.7173.2-57.30000110.8
132Y38.8Very low47.6Very low191 Ų191113.6 Ų113.675%0.74962%0.619SS**SBendtrans-147.1140.1-179.8-63.8-74.5000111.7P130P130-Y132 HydrophobicContact CB-CD2 4.03Å; P130-Y132 PolarHBondContact O-N 2.95Å
133T45.1Very low46.8Very low90 Ų90111.6 Ų111.655%0.55261%0.612SS**  trans-65.3121-179.5-27.40000109.9Y135T133-Y135 HydrophobicContact CG2-CD2 4.16Å; T133-Y135 PolarHBondContact O-N 2.82Å
134P49.2Very low46.9Very low108 Ų108112.9 Ų112.970%0.70162%0.618SS**G310 helixtrans-59.6-16.1-170.6-26.433.5000116.7Y136P134-Y136 PolarHBondContact O-N 3.02Å
135Y47.5Very low47.4Very low202 Ų202109 Ų10979%0.79260%0.6SS**G310 helixtrans-71.7-8.2-173.4-65.2-74.4000115.3T133T133-Y135 HydrophobicContact CG2-CD2 4.16Å; T133-Y135 PolarHBondContact O-N 2.82Å
136Y49.7Very low48.4Very low194 Ų194108 Ų10876%0.76159%0.589SS**G310 helixtrans-124.38.2-169.9-54.4-75.2000115.2P134 A138P134-Y136 PolarHBondContact O-N 3.02Å; Y136-A138 PolarHBondContact O-N 3.31Å
137V49.8Very low49.6Very low68 Ų68108.8 Ų108.841%0.41258%0.577SS.*  trans-81.9120.9-178.5-1800000110V141 L142V137-V141 HydrophobicContact CG1-CB 3.76Å; V137-V141 HydrophobicContact CG1-CG1 3.92Å; V137-V141 HydrophobicContact CG1-CG2 4.48Å; V137-L142 HydrophobicContact CG1-CD2 4.07Å; V137-L142 HydrophobicContact CG1-CG 4.3Å
138A50.3Low51.7Low35 Ų35103.3 Ų103.329%0.28955%0.548SS..  trans-69.4141.5178.900000111.3Y136 E140 V141Y136-A138 PolarHBondContact O-N 3.31Å; A138-E140 WeakPolarHBondContact CB-OE1 3.45Å; A138-E140 WeakPolarHBondContact CB-OE2 3.23Å; A138-E140 PolarHBondContact O-N 2.74Å; A138-E140 VanDerWaalsContact O-N 3.14Å; A138-V141 HydrophobicContact CB-CG2 4.37Å; A138-V141 VanDerWaalsContact O-CB 3.3Å; A138-V141 WeakPolarHBondContact O-CB 3.47Å; A138-V141 PolarHBondContact O-N 2.85Å
139P50.7Low54Low82 Ų8299.9 Ų99.953%0.53252%0.522SS..G310 helixtrans-59.8-26-170.520.6-31.3000114.6V141 L142P139-V141 VanDerWaalsContact C-N 3.28Å; P139-V141 PolarHBondContact O-N 3.33Å; P139-L142 WeakPolarHBondContact O-CB 3.4Å; P139-L142 PolarHBondContact O-N 3.29Å
140E50.3Low56.1Low146 Ų14697.5 Ų97.568%0.68251%0.509SS*.G310 helixtrans-66.4-27.1174.167.9-83.3-163.900113.4A138 L142 G143A138-E140 WeakPolarHBondContact CB-OE1 3.45Å; A138-E140 WeakPolarHBondContact CB-OE2 3.23Å; A138-E140 PolarHBondContact O-N 2.74Å; A138-E140 VanDerWaalsContact O-N 3.14Å; E140-L142 PolarHBondContact O-N 2.83Å; E140-G143 PolarHBondContact O-N 3.21Å
141V51.3Low58.6Low100 Ų10096.1 Ų96.161%0.60650%0.501SS*.G310 helixtrans-74.1-17.6177.1-174.70000111V137 A138 P139V137-V141 HydrophobicContact CG1-CB 3.76Å; V137-V141 HydrophobicContact CG1-CG1 3.92Å; V137-V141 HydrophobicContact CG1-CG2 4.48Å; A138-V141 HydrophobicContact CB-CG2 4.37Å; A138-V141 VanDerWaalsContact O-CB 3.3Å; A138-V141 WeakPolarHBondContact O-CB 3.47Å; A138-V141 PolarHBondContact O-N 2.85Å; P139-V141 VanDerWaalsContact C-N 3.28Å; P139-V141 PolarHBondContact O-N 3.33Å
142L53.1Low61.1Low66 Ų6690.9 Ų90.935%0.34647%0.465SS..THydrogen-bonded Turntrans-83.5-21.9178.9-63.8-179.8000112.6V137 P139 E140 K146V137-L142 HydrophobicContact CG1-CD2 4.07Å; V137-L142 HydrophobicContact CG1-CG 4.3Å; P139-L142 WeakPolarHBondContact O-CB 3.4Å; P139-L142 PolarHBondContact O-N 3.29Å; E140-L142 PolarHBondContact O-N 2.83Å; L142-K146 HydrophobicContact CB-CD 3.93Å; L142-K146 HydrophobicContact CD2-CD 3.99Å; L142-K146 WeakPolarHBondContact O-CB 3.07Å; L142-K146 WeakPolarHBondContact O-CD 3.4Å; L142-K146 VanDerWaalsContact O-CE 3.23Å; L142-K146 WeakPolarHBondContact O-CE 3.47Å; L142-K146 WeakPolarHBondContact O-CG 3.34Å
143G57.2Low63.7Low25 Ų2586.9 Ų86.926%0.25846%0.455SS..  trans69.7149.7175.700000114.2E140 E145 K146 Y147E140-G143 PolarHBondContact O-N 3.21Å; G143-E145 PolarHBondContact O-N 3.37Å; G143-E145 VanDerWaalsContact O-N 3.07Å; G143-K146 PolarHBondContact O-N 3.2Å; G143-Y147 WeakPolarHBondContact O-CD2 3.39Å
144P59.7Low66Low108 Ų10891.9 Ų91.970%0.70146%0.464SS*.THydrogen-bonded Turntrans-61.3-20-177.121.4-31000114Y147P144-Y147 WeakPolarHBondContact O-CB 3.25Å; P144-Y147 PolarHBondContact O-N 2.95Å
145E60.4Low68.1Low70 Ų7087.6 Ų87.633%0.32744%0.437SS..THydrogen-bonded Turntrans-78.5-24-177.3-57-170.6169.800113.9T122 G143 Y147 D148T122-E145 VanDerWaalsContact CB-OE2 3.3Å; T122-E145 WeakPolarHBondContact CB-OE2 3.33Å; T122-E145 VanDerWaalsContact CG2-OE2 3.28Å; T122-E145 WeakPolarHBondContact CG2-OE2 3.46Å; T122-E145 PolarHBondContact OG1-OE2 3.42Å; G143-E145 PolarHBondContact O-N 3.37Å; G143-E145 VanDerWaalsContact O-N 3.07Å; E145-Y147 PolarHBondContact O-N 3.43Å; E145-D148 PolarHBondContact O-N 3.42Å
146K62.4Low70.4Confident117 Ų11779 Ų7951%0.50940%0.404SS..Hα-helixtrans-65-23.6171.6-74.8-171.9-162.3173.60112.1L142 G143 D148 S150L142-K146 HydrophobicContact CB-CD 3.93Å; L142-K146 HydrophobicContact CD2-CD 3.99Å; L142-K146 WeakPolarHBondContact O-CB 3.07Å; L142-K146 WeakPolarHBondContact O-CD 3.4Å; L142-K146 VanDerWaalsContact O-CE 3.23Å; L142-K146 WeakPolarHBondContact O-CE 3.47Å; L142-K146 WeakPolarHBondContact O-CG 3.34Å; G143-K146 PolarHBondContact O-N 3.2Å; K146-D148 VanDerWaalsContact C-N 3.34Å; K146-S150 WeakPolarHBondContact O-CB 3.02Å; K146-S150 PolarHBondContact O-OG 2.81Å; K146-S150 VanDerWaalsContact O-OG 3.05Å
147Y68.9Low72.5Confident126 Ų12671.8 Ų71.849%0.49439%0.389SS..Hα-helixtrans-76.7-19.2177.7-64.7-86.1000113.5G143 P144 E145 S150 C151G143-Y147 WeakPolarHBondContact O-CD2 3.39Å; P144-Y147 WeakPolarHBondContact O-CB 3.25Å; P144-Y147 PolarHBondContact O-N 2.95Å; E145-Y147 PolarHBondContact O-N 3.43Å; Y147-S150 VanDerWaalsContact CA-OG 3.25Å; Y147-S150 WeakPolarHBondContact CA-OG 3.45Å; Y147-S150 PolarHBondContact O-OG 3.36Å; Y147-C151 WeakPolarHBondContact O-CB 3.45Å; Y147-C151 PolarHBondContact O-N 2.99Å
148D82.1Confident74.6Confident13 Ų1371.4 Ų71.47%0.0739%0.387CS..Hα-helixtrans-68.9-61.1-177.7-75-35.3000110.2A90 R92 K119 T121 E145 K146 S150 C151A90-D148 HydrophobicContact CB-CB 3.84Å; R92-D148 WeakPolarHBondContact CD-OD1 3.42Å; R92-D148 IonicContact CZ-OD1 3.81Å; R92-D148 IonicContact NE-OD1 3.15Å; R92-D148 IonicContact NH1-OD1 3.37Å; R92-D148 PolarHBondContact NH1-OD1 3.3Å; K119-D148 IonicContact NZ-OD2 2.89Å; K119-D148 PolarHBondContact NZ-OD2 2.88Å; T121-D148 HydrophobicContact CG2-CB 3.65Å; E145-D148 PolarHBondContact O-N 3.42Å; K146-D148 VanDerWaalsContact C-N 3.34Å; D148-S150 PolarHBondContact O-N 3.2Å; D148-C151 WeakPolarHBondContact O-CB 3.28Å; D148-C151 PolarHBondContact O-N 2.77Å
149K88.3Confident76.6Confident62 Ų6270 Ų7027%0.2737%0.374SS..Hα-helixtrans-67.1-33179.1-64.9-169.6-172.6-176.50113H85 N88 A90 T121 C151 D152 M153H85-K149 HydrophobicContact CB-CD 4.15Å; H85-K149 PolarHBondContact CE1-O 3.4Å; H85-K149 PolarHBondContact O-NZ 3.41Å; N88-K149 PolarHBondContact OD1-NZ 3.06Å; A90-K149 HydrophobicContact CB-CG 4.37Å; T121-K149 HydrophobicContact CG2-CG 4.08Å; T121-K149 WeakPolarHBondContact OG1-CE 3.42Å; K149-C151 PolarHBondContact O-N 3.19Å; K149-D152 PolarHBondContact O-N 2.89Å; K149-M153 PolarHBondContact O-N 3.28Å
150S87.6Confident78.8Confident57 Ų5772.8 Ų72.840%0.39938%0.382SS..Hα-helixtrans-68-25.2178.864.90000112.8K146 Y147 D148 D152 M153 W154K146-S150 WeakPolarHBondContact O-CB 3.02Å; K146-S150 PolarHBondContact O-OG 2.81Å; K146-S150 VanDerWaalsContact O-OG 3.05Å; Y147-S150 VanDerWaalsContact CA-OG 3.25Å; Y147-S150 WeakPolarHBondContact CA-OG 3.45Å; Y147-S150 PolarHBondContact O-OG 3.36Å; D148-S150 PolarHBondContact O-N 3.2Å; S150-D152 VanDerWaalsContact C-N 3.35Å; S150-M153 PolarHBondContact O-N 3.05Å; S150-W154 PolarHBondContact O-N 2.81Å
151C88.2Confident80.8Confident48 Ų4875.7 Ų75.732%0.32439%0.388SS..Hα-helixtrans-61.1-44.7173.9-177.80000111Y147 D148 K149 M153 W154 S155Y147-C151 WeakPolarHBondContact O-CB 3.45Å; Y147-C151 PolarHBondContact O-N 2.99Å; D148-C151 WeakPolarHBondContact O-CB 3.28Å; D148-C151 PolarHBondContact O-N 2.77Å; K149-C151 PolarHBondContact O-N 3.19Å; C151-M153 VanDerWaalsContact C-N 3.31Å; C151-M153 PolarHBondContact O-N 3.37Å; C151-W154 WeakPolarHBondContact O-CB 3.3Å; C151-W154 PolarHBondContact O-N 3.16Å; C151-S155 PolarHBondContact O-N 2.89Å; C151-S155 PolarHBondContact O-OG 3.45Å
152D92.3Very high82.6Confident0 Ų077 Ų770%039%0.39CS..Hα-helixtrans-63.2-38.5176.4-61.5-29.9000111.7I81 H85 A90 H91 R92 V94 K149 S150 S155 L156I81-D152 HydrophobicContact CD1-CB 4.29Å; I81-D152 HydrophobicContact CG2-CB 3.9Å; H85-D152 IonicContact CD2-OD2 2.95Å; H85-D152 IonicContact CE1-OD2 3.85Å; H85-D152 IonicContact NE2-OD2 2.81Å; H85-D152 PolarHBondContact NE2-OD2 3.28Å; A90-D152 WeakPolarHBondContact CA-OD2 3.23Å; H91-D152 WeakPolarHBondContact CB-OD1 3.49Å; H91-D152 PolarHBondContact N-OD1 3.34Å; H91-D152 PolarHBondContact N-OD2 3.45Å; R92-D152 PolarHBondContact N-OD1 3.38Å; V94-D152 HydrophobicContact CG2-CB 4.43Å; K149-D152 PolarHBondContact O-N 2.89Å; S150-D152 VanDerWaalsContact C-N 3.35Å; D152-S155 PolarHBondContact O-N 3.19Å; D152-L156 WeakPolarHBondContact O-CG 3.09Å; D152-L156 PolarHBondContact O-N 3.4Å
153M94.3Very high84.1Confident107 Ų10777.6 Ų77.653%0.52739%0.392SS..Hα-helixtrans-66.8-37177-60.7-51.1-57.300112.7I81 K149 S150 C151 L156 G157I81-M153 HydrophobicContact CG2-SD 4.49Å; K149-M153 PolarHBondContact O-N 3.28Å; S150-M153 PolarHBondContact O-N 3.05Å; C151-M153 VanDerWaalsContact C-N 3.31Å; C151-M153 PolarHBondContact O-N 3.37Å; M153-L156 HydrophobicContact CE-CD1 3.96Å; M153-L156 PolarHBondContact O-N 3.2Å; M153-L156 HydrophobicContact SD-CD1 3.93Å; M153-G157 PolarHBondContact O-N 2.71Å
154W93.4Very high85.5Confident195 Ų19580.3 Ų80.374%0.73940%0.4SS*.Hα-helixtrans-62.8-48.2172.4176.3-87.4000110.9S150 C151 L156 G157 V158S150-W154 PolarHBondContact O-N 2.81Å; C151-W154 WeakPolarHBondContact O-CB 3.3Å; C151-W154 PolarHBondContact O-N 3.16Å; W154-L156 VanDerWaalsContact C-N 3.31Å; W154-L156 PolarHBondContact O-N 2.96Å; W154-G157 PolarHBondContact O-N 2.82Å; W154-V158 WeakPolarHBondContact O-CG2 3.49Å; W154-V158 PolarHBondContact O-N 3.41Å
155S92.9Very high86.9Confident19 Ų1978.8 Ų78.813%0.13338%0.383CS..Hα-helixtrans-57.7-41.2176.3-73.70000112.8V94 C151 D152 G157 V158 I159V94-S155 WeakPolarHBondContact O-CB 3.25Å; V94-S155 PolarHBondContact O-OG 3.34Å; C151-S155 PolarHBondContact O-N 2.89Å; C151-S155 PolarHBondContact O-OG 3.45Å; D152-S155 PolarHBondContact O-N 3.19Å; S155-G157 VanDerWaalsContact C-N 3.32Å; S155-G157 PolarHBondContact O-N 2.49Å; S155-V158 PolarHBondContact O-N 2.81Å; S155-I159 WeakPolarHBondContact O-CB 3.42Å; S155-I159 VanDerWaalsContact O-CG1 3.3Å; S155-I159 WeakPolarHBondContact O-CG1 3.47Å; S155-I159 PolarHBondContact O-N 3.07Å
156L94.9Very high88.5Confident20 Ų2079.3 Ų79.311%0.10539%0.386CS..Hα-helixtrans-57.2-44.6173-79.4171.8000111.8M74 I77 I81 D152 M153 W154 I159 M160M74-L156 HydrophobicContact CE-CB 4.28Å; M74-L156 HydrophobicContact CE-CD2 3.65Å; M74-L156 WeakPolarHBondContact CE-O 3.06Å; I77-L156 HydrophobicContact CB-CD2 3.99Å; I77-L156 HydrophobicContact CG2-CD2 3.47Å; I77-L156 VanDerWaalsContact CG2-CD2 3.47Å; I81-L156 HydrophobicContact CB-CD1 4.3Å; I81-L156 HydrophobicContact CG1-CD1 4.21Å; I81-L156 HydrophobicContact CG1-CD2 4.4Å; I81-L156 HydrophobicContact CG1-CG 4.37Å; I81-L156 HydrophobicContact CG2-CD1 4.23Å; D152-L156 WeakPolarHBondContact O-CG 3.09Å; D152-L156 PolarHBondContact O-N 3.4Å; M153-L156 HydrophobicContact CE-CD1 3.96Å; M153-L156 PolarHBondContact O-N 3.2Å; M153-L156 HydrophobicContact SD-CD1 3.93Å; W154-L156 VanDerWaalsContact C-N 3.31Å; W154-L156 PolarHBondContact O-N 2.96Å; L156-I159 PolarHBondContact O-N 2.73Å; L156-M160 VanDerWaalsContact O-CB 3.32Å; L156-M160 WeakPolarHBondContact O-CB 3.3Å; L156-M160 PolarHBondContact O-N 2.96Å
157G93.6Very high90.1Very high43 Ų4376.9 Ų76.944%0.44338%0.378SS..Hα-helixtrans-64-40.8177.500000113M153 W154 S155 Y161M153-G157 PolarHBondContact O-N 2.71Å; W154-G157 PolarHBondContact O-N 2.82Å; S155-G157 VanDerWaalsContact C-N 3.32Å; S155-G157 PolarHBondContact O-N 2.49Å; G157-Y161 WeakPolarHBondContact O-CB 3.21Å; G157-Y161 PolarHBondContact O-N 3.47Å; G157-Y161 VanDerWaalsContact O-N 3.16Å
158V94.2Very high91.5Very high60 Ų6073.7 Ų73.736%0.36437%0.371SS..Hα-helixtrans-65-46.8176.3175.20000111W154 S155 M160 Y161 I162W154-V158 WeakPolarHBondContact O-CG2 3.49Å; W154-V158 PolarHBondContact O-N 3.41Å; S155-V158 PolarHBondContact O-N 2.81Å; V158-M160 VanDerWaalsContact C-N 3.32Å; V158-M160 PolarHBondContact O-N 3.14Å; V158-Y161 PolarHBondContact O-N 2.97Å; V158-I162 HydrophobicContact CG1-CD1 3.99Å; V158-I162 WeakPolarHBondContact O-CG1 3.19Å; V158-I162 PolarHBondContact O-N 2.74Å
159I93.6Very high92.2Very high7 Ų778 Ų784%0.03639%0.392CS..Hα-helixtrans-65.9-35.9-179.9-67.1164.1000111.5F54 M74 I77 V94 L99 S155 L156 Y161F54-I159 HydrophobicContact CZ-CG2 4.4Å; M74-I159 HydrophobicContact SD-CG2 4.01Å; I77-I159 HydrophobicContact CD1-CG2 3.86Å; V94-I159 HydrophobicContact CG1-CD1 3.79Å; L99-I159 HydrophobicContact CD1-CD1 3.78Å; L99-I159 HydrophobicContact CD1-CG2 4.35Å; S155-I159 WeakPolarHBondContact O-CB 3.42Å; S155-I159 VanDerWaalsContact O-CG1 3.3Å; S155-I159 WeakPolarHBondContact O-CG1 3.47Å; S155-I159 PolarHBondContact O-N 3.07Å; L156-I159 PolarHBondContact O-N 2.73Å; I159-Y161 VanDerWaalsContact C-N 3.28Å; I159-Y161 PolarHBondContact O-N 3.19Å
160M95.7Very high92.5Very high140 Ų14079.2 Ų79.269%0.6940%0.402SS*.Hα-helixtrans-67-29.5175.4-175174.317800113M74 L156 V158M74-M160 HydrophobicContact CE-CB 3.85Å; M74-M160 HydrophobicContact CG-CB 4.18Å; M74-M160 HydrophobicContact CG-CG 4.14Å; M74-M160 HydrophobicContact SD-CB 3.83Å; M74-M160 HydrophobicContact SD-CG 4.45Å; L156-M160 VanDerWaalsContact O-CB 3.32Å; L156-M160 WeakPolarHBondContact O-CB 3.3Å; L156-M160 PolarHBondContact O-N 2.96Å; V158-M160 VanDerWaalsContact C-N 3.32Å; V158-M160 PolarHBondContact O-N 3.14Å
161Y93.3Very high92.9Very high207 Ų20781.1 Ų81.181%0.81240%0.402SS*.Hα-helixtrans-77.6-35.1-179175.1-94.5000113G157 V158 I159G157-Y161 WeakPolarHBondContact O-CB 3.21Å; G157-Y161 PolarHBondContact O-N 3.47Å; G157-Y161 VanDerWaalsContact O-N 3.16Å; V158-Y161 PolarHBondContact O-N 2.97Å; I159-Y161 VanDerWaalsContact C-N 3.28Å; I159-Y161 PolarHBondContact O-N 3.19Å
162I88.7Confident93.4Very high127 Ų12784.1 Ų84.165%0.65141%0.409SS*.  trans-71.30178.7-60.3166.5000109.7F54 V158F54-I162 HydrophobicContact CD1-CG2 4.14Å; F54-I162 HydrophobicContact CE1-CB 3.98Å; F54-I162 HydrophobicContact CE1-CG2 3.35Å; F54-I162 HydrophobicContact CZ-CB 3.92Å; F54-I162 HydrophobicContact CZ-CG2 3.7Å; V158-I162 HydrophobicContact CG1-CD1 3.99Å; V158-I162 WeakPolarHBondContact O-CG1 3.19Å; V158-I162 PolarHBondContact O-N 2.74Å

Retrieved 162 of 162 residues in 345.9 ms (Link to these results)

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