A0A087XVT6_POEFO Loading...

Nuclear transcription factor Y subunit gamma

Component of the sequence-specific heterotrimeric transcription factor (NF-Y) which specifically recognizes a 5'-CCAAT-3' box motif found in the promoters of its target genes. NF-Y can function as both an activator and a repressor, depending on its interacting cofactors.

AlphaFold DB , UniProt , Accession A0A087XVT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 356 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
1M50Low49.3Very low244 Ų244106.8 Ų106.8100%1.20272%0.715SS**  0102.30-77.8174.2148.400108.3
2S37.6Very low52.1Low130 Ų130107.6 Ų107.691%0.90971%0.707SS**  trans-179.382.1169.8-750000102.3
3G39.6Very low54.6Low69 Ų6999.7 Ų99.771%0.71166%0.656SS**  111.578.172.500000104.2A5G3-A5 PolarHBondContact O-N 3.19Å
4D39.4Very low57.1Low141 Ų14198.6 Ų98.675%0.75464%0.637SS**  trans-56.2100.5178.7-71-69.8000109.3F6D4-F6 HydrophobicContact CB-CD2 3.65Å; D4-F6 HydrophobicContact CB-CE2 3.56Å; D4-F6 PolarHBondContact O-N 3.32Å
5A44.3Very low59.4Low100 Ų10098.5 Ų98.583%0.82663%0.625SS**  trans-6981.7159.100000106.9G3 G7G3-A5 PolarHBondContact O-N 3.19Å; A5-G7 PolarHBondContact O-N 2.85Å
6F41.6Very low61.5Low182 Ų18296.6 Ų96.680%0.79861%0.612SS**  trans-64.283.3159.1-79-84.2000106.9D4 A8D4-F6 HydrophobicContact CB-CD2 3.65Å; D4-F6 HydrophobicContact CB-CE2 3.56Å; D4-F6 PolarHBondContact O-N 3.32Å; F6-A8 VanDerWaalsContact C-N 3.35Å; F6-A8 PolarHBondContact O-N 3.44Å
7G41.2Very low63.4Low69 Ų6992.7 Ų92.771%0.71159%0.585SS**  trans-55.3106.2161.300000106.2A5 G9A5-G7 PolarHBondContact O-N 2.85Å; G7-G9 PolarHBondContact O-N 2.96Å
8A51Low65Low102 Ų10295.1 Ų95.184%0.84359%0.588SS**  trans-56109169.900000106F6F6-A8 VanDerWaalsContact C-N 3.35Å; F6-A8 PolarHBondContact O-N 3.44Å
9G59.1Low66.6Low54 Ų5493.6 Ų93.656%0.55758%0.582SS**PPolyproline II helixtrans-53.8155.9170.800000109.4G7 C11G7-G9 PolarHBondContact O-N 2.96Å; G9-C11 PolarHBondContact O-N 3.49Å
10P63.8Low68.1Low58 Ų5889.8 Ų89.838%0.37756%0.556SS.*PPolyproline II helixtrans-50.8131176.921.3-31.2000109.1Q14 Q15P10-Q14 HydrophobicContact CB-CB 4.28Å; P10-Q14 HydrophobicContact CB-CG 4.25Å; P10-Q15 HydrophobicContact CB-CG 3.97Å; P10-Q15 HydrophobicContact CG-CG 3.79Å; P10-Q15 PolarHBondContact O-NE2 2.88Å
11C74.3Confident69.4Low26 Ų2690.4 Ų90.418%0.17655%0.549CS..PPolyproline II helixtrans-59.4156.6-178.590.30000110.2G9 A13 Q14 Q15 E87G9-C11 PolarHBondContact O-N 3.49Å; C11-A13 PolarHBondContact O-N 2.86Å; C11-A13 VanDerWaalsContact O-N 3.15Å; C11-Q14 WeakPolarHBondContact O-CA 3.36Å; C11-Q14 WeakPolarHBondContact O-CB 3.2Å; C11-Q14 PolarHBondContact O-N 2.84Å; C11-Q14 PolarHBondContact SG-N 3.32Å; C11-Q15 PolarHBondContact O-N 2.91Å; C11-E87 WeakPolarHBondContact CB-OE2 3.45Å; C11-E87 PolarHBondContact SG-OE2 3.49Å
12D82.9Confident71.6Confident116 Ų11682.9 Ų82.962%0.6252%0.518SS*.Hα-helixtrans-56.9-36-174.6-68.8-24.3000111.6Q15 T16D12-Q15 PolarHBondContact O-N 3.4Å; D12-T16 WeakPolarHBondContact O-CB 3.49Å; D12-T16 PolarHBondContact O-N 3.27Å; D12-T16 PolarHBondContact O-OG1 2.93Å
13A85.1Confident74.4Confident5 Ų585 Ų854%0.04151%0.506CS..Hα-helixtrans-68.8-35.6173.200000113.5C11 T16 L17 W83 I84C11-A13 PolarHBondContact O-N 2.86Å; C11-A13 VanDerWaalsContact O-N 3.15Å; A13-T16 PolarHBondContact O-N 3.35Å; A13-L17 WeakPolarHBondContact O-CB 3.18Å; A13-L17 PolarHBondContact O-N 3.39Å; A13-W83 HydrophobicContact CB-CB 4.4Å; A13-W83 HydrophobicContact CB-CG 4.4Å; A13-I84 HydrophobicContact CB-CG1 3.96Å
14Q90.2Very high77.1Confident85 Ų8582.2 Ų82.240%0.39748%0.475SS..Hα-helixtrans-67.1-38175.2-170.4-175.6-28.600111.5P10 C11 L17 Q18 I84P10-Q14 HydrophobicContact CB-CB 4.28Å; P10-Q14 HydrophobicContact CB-CG 4.25Å; C11-Q14 WeakPolarHBondContact O-CA 3.36Å; C11-Q14 WeakPolarHBondContact O-CB 3.2Å; C11-Q14 PolarHBondContact O-N 2.84Å; C11-Q14 PolarHBondContact SG-N 3.32Å; Q14-L17 PolarHBondContact O-N 2.79Å; Q14-Q18 WeakPolarHBondContact O-CG 3.45Å; Q14-Q18 PolarHBondContact O-N 2.94Å; Q14-I84 HydrophobicContact CB-CD1 4.24Å; Q14-I84 HydrophobicContact CB-CG1 4.42Å
15Q91.1Very high79.8Confident97 Ų9780.5 Ų80.545%0.45346%0.464SS..Hα-helixtrans-65.9-43.7173.4-66.8-18046.900111.3P10 C11 D12 L17 Q18P10-Q15 HydrophobicContact CB-CG 3.97Å; P10-Q15 HydrophobicContact CG-CG 3.79Å; P10-Q15 PolarHBondContact O-NE2 2.88Å; C11-Q15 PolarHBondContact O-N 2.91Å; D12-Q15 PolarHBondContact O-N 3.4Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; Q15-L17 PolarHBondContact O-N 2.69Å; Q15-Q18 PolarHBondContact O-N 2.83Å
16T92.3Very high82.2Confident68 Ų6880.9 Ų80.942%0.41745%0.448SS..Hα-helixtrans-60.9-41.2176-570000111.3D12 A13 Q18 S19 F20 L80D12-T16 WeakPolarHBondContact O-CB 3.49Å; D12-T16 PolarHBondContact O-N 3.27Å; D12-T16 PolarHBondContact O-OG1 2.93Å; A13-T16 PolarHBondContact O-N 3.35Å; T16-Q18 VanDerWaalsContact C-N 3.33Å; T16-Q18 PolarHBondContact O-N 3.48Å; T16-S19 PolarHBondContact O-N 3.43Å; T16-S19 PolarHBondContact O-OG 3.4Å; T16-F20 PolarHBondContact O-N 2.9Å; T16-F20 VanDerWaalsContact O-N 3.08Å; T16-L80 HydrophobicContact CG2-CD1 4.12Å; T16-L80 HydrophobicContact CG2-CD2 4.03Å
17L93.6Very high84.7Confident30 Ų3076.1 Ų76.116%0.15743%0.428CS..Hα-helixtrans-64.3-34.7179.4-170.366.9000112.8A13 Q14 Q15 S19 F20 E77 L80 R81 I84A13-L17 WeakPolarHBondContact O-CB 3.18Å; A13-L17 PolarHBondContact O-N 3.39Å; Q14-L17 PolarHBondContact O-N 2.79Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; Q15-L17 PolarHBondContact O-N 2.69Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 2.6Å; L17-F20 HydrophobicContact CD1-CB 4.45Å; L17-F20 VanDerWaalsContact O-CB 3.28Å; L17-F20 WeakPolarHBondContact O-CB 3.25Å; L17-F20 PolarHBondContact O-N 3.02Å; L17-E77 HydrophobicContact CD1-CG 4.14Å; L17-L80 HydrophobicContact CD1-CB 4.22Å; L17-R81 HydrophobicContact CD1-CG 3.97Å; L17-R81 HydrophobicContact CD2-CG 3.64Å; L17-R81 HydrophobicContact CG-CG 4.49Å; L17-I84 HydrophobicContact CD2-CD1 3.96Å
18Q93.6Very high87.2Confident136 Ų13676.2 Ų76.264%0.63641%0.412SS*.Hα-helixtrans-63.7-34.7178.3-73.8175.845.100112.9Q14 Q15 T16Q14-Q18 WeakPolarHBondContact O-CG 3.45Å; Q14-Q18 PolarHBondContact O-N 2.94Å; Q15-Q18 PolarHBondContact O-N 2.83Å; T16-Q18 VanDerWaalsContact C-N 3.33Å; T16-Q18 PolarHBondContact O-N 3.48Å
19S95.4Very high89.2Confident67 Ų6779.9 Ų79.947%0.46940%0.404SS..Hα-helixtrans-94.8-1.8178.459.70000113.6T16 L17 P22 R23T16-S19 PolarHBondContact O-N 3.43Å; T16-S19 PolarHBondContact O-OG 3.4Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 2.6Å; S19-P22 WeakPolarHBondContact O-CD 3.46Å; S19-R23 VanDerWaalsContact O-CB 3.32Å; S19-R23 WeakPolarHBondContact O-CB 3.48Å; S19-R23 PolarHBondContact O-N 3.35Å; S19-R23 VanDerWaalsContact O-N 3.12Å
20F95.9Very high90.8Very high17 Ų1782.3 Ų82.38%0.07540%0.404CS..Hα-helixtrans-59.1-60.2-174.2175-101.8000112.6T16 L17 R23 V24 I73 T76 E77 L80T16-F20 PolarHBondContact O-N 2.9Å; T16-F20 VanDerWaalsContact O-N 3.08Å; L17-F20 HydrophobicContact CD1-CB 4.45Å; L17-F20 VanDerWaalsContact O-CB 3.28Å; L17-F20 WeakPolarHBondContact O-CB 3.25Å; L17-F20 PolarHBondContact O-N 3.02Å; F20-R23 WeakPolarHBondContact O-CB 3.37Å; F20-R23 PolarHBondContact O-N 3.29Å; F20-V24 HydrophobicContact CD1-CG2 4.28Å; F20-V24 HydrophobicContact CD2-CG2 4.04Å; F20-V24 HydrophobicContact CE1-CG2 3.93Å; F20-V24 HydrophobicContact CE2-CG2 3.66Å; F20-V24 HydrophobicContact CG-CG2 4.34Å; F20-V24 HydrophobicContact CZ-CG2 3.62Å; F20-V24 WeakPolarHBondContact O-CG2 3.33Å; F20-V24 PolarHBondContact O-N 3.49Å; F20-I73 HydrophobicContact CE1-CG2 4.08Å; F20-I73 HydrophobicContact CZ-CG2 3.85Å; F20-T76 HydrophobicContact CE2-CG2 3.71Å; F20-T76 HydrophobicContact CZ-CG2 4.49Å; F20-E77 HydrophobicContact CD1-CB 4.36Å; F20-E77 HydrophobicContact CD1-CG 4.21Å; F20-E77 HydrophobicContact CE1-CB 3.61Å; F20-E77 HydrophobicContact CE1-CG 3.88Å; F20-E77 HydrophobicContact CZ-CB 3.74Å; F20-E77 HydrophobicContact CZ-CG 4.46Å; F20-L80 HydrophobicContact CD2-CD1 3.82Å; F20-L80 HydrophobicContact CE2-CD1 4.31Å; F20-L80 HydrophobicContact CG-CD1 4.42Å
21W95.9Very high92Very high103 Ų10381.7 Ų81.739%0.3940%0.398SS..Hα-helixtrans-64.4-43.4-176.7-81.6107.8000113.7R23 V24 M25 I73 E77W21-R23 VanDerWaalsContact C-N 3.27Å; W21-R23 PolarHBondContact O-N 3.05Å; W21-V24 HydrophobicContact CE3-CB 4.44Å; W21-V24 HydrophobicContact CE3-CG1 4.23Å; W21-V24 HydrophobicContact CZ3-CG1 4.19Å; W21-V24 PolarHBondContact O-N 3.36Å; W21-M25 WeakPolarHBondContact O-CB 3.44Å; W21-M25 WeakPolarHBondContact O-CG 3.36Å; W21-M25 PolarHBondContact O-N 3.44Å; W21-I73 HydrophobicContact CH2-CG2 3.9Å; W21-I73 HydrophobicContact CZ2-CG2 4.46Å; W21-I73 HydrophobicContact CZ3-CG2 4.19Å; W21-E77 WeakPolarHBondContact CZ2-OE2 3.35Å; W21-E77 PolarHBondContact NE1-OE1 3.39Å; W21-E77 PolarHBondContact NE1-OE2 2.94Å
22P96.8Very high92.7Very high85 Ų8583.8 Ų83.855%0.55241%0.41SS*.Hα-helixtrans-53-44.6171.3-28.635.4000112.9S19 E26S19-P22 WeakPolarHBondContact O-CD 3.46Å; P22-E26 PolarHBondContact O-N 2.9Å; P22-E26 VanDerWaalsContact O-N 3.08Å
23R95.9Very high92.6Very high176 Ų17684.9 Ų84.966%0.66441%0.414SS*.Hα-helixtrans-67.1-46.1177.8-179179.6175.2171.90.1112.4S19 F20 W21 M25 E26 E27S19-R23 VanDerWaalsContact O-CB 3.32Å; S19-R23 WeakPolarHBondContact O-CB 3.48Å; S19-R23 PolarHBondContact O-N 3.35Å; S19-R23 VanDerWaalsContact O-N 3.12Å; F20-R23 WeakPolarHBondContact O-CB 3.37Å; F20-R23 PolarHBondContact O-N 3.29Å; W21-R23 VanDerWaalsContact C-N 3.27Å; W21-R23 PolarHBondContact O-N 3.05Å; R23-M25 VanDerWaalsContact C-N 3.3Å; R23-M25 PolarHBondContact O-N 3.13Å; R23-E26 PolarHBondContact O-N 3.25Å; R23-E27 WeakPolarHBondContact O-CB 3.46Å; R23-E27 PolarHBondContact O-N 3.19Å
24V95.8Very high92.5Very high10 Ų1092.6 Ų92.66%0.06145%0.447CS..Hα-helixtrans-60.4-42.4177.8167.50000110.8F20 W21 E26 E27 I28 I73F20-V24 HydrophobicContact CD1-CG2 4.28Å; F20-V24 HydrophobicContact CD2-CG2 4.04Å; F20-V24 HydrophobicContact CE1-CG2 3.93Å; F20-V24 HydrophobicContact CE2-CG2 3.66Å; F20-V24 HydrophobicContact CG-CG2 4.34Å; F20-V24 HydrophobicContact CZ-CG2 3.62Å; F20-V24 WeakPolarHBondContact O-CG2 3.33Å; F20-V24 PolarHBondContact O-N 3.49Å; W21-V24 HydrophobicContact CE3-CB 4.44Å; W21-V24 HydrophobicContact CE3-CG1 4.23Å; W21-V24 HydrophobicContact CZ3-CG1 4.19Å; W21-V24 PolarHBondContact O-N 3.36Å; V24-E26 VanDerWaalsContact C-N 3.35Å; V24-E26 PolarHBondContact O-N 3.46Å; V24-E27 PolarHBondContact O-N 3.21Å; V24-I28 HydrophobicContact CG1-CD1 3.77Å; V24-I28 HydrophobicContact CG1-CG1 4.42Å; V24-I28 WeakPolarHBondContact O-CB 3.33Å; V24-I28 VanDerWaalsContact O-CG1 3.24Å; V24-I28 WeakPolarHBondContact O-CG1 3.33Å; V24-I28 PolarHBondContact O-N 3.18Å; V24-I73 HydrophobicContact CG1-CD1 3.65Å; V24-I73 HydrophobicContact CG1-CG1 3.9Å; V24-I73 HydrophobicContact CG1-CG2 4.03Å
25M95.8Very high92.1Very high105 Ų10592 Ų9252%0.51745%0.447SS..Hα-helixtrans-66.3-37.3178.6-69.8-69.4-82.700112.2W21 R23 R29W21-M25 WeakPolarHBondContact O-CB 3.44Å; W21-M25 WeakPolarHBondContact O-CG 3.36Å; W21-M25 PolarHBondContact O-N 3.44Å; R23-M25 VanDerWaalsContact C-N 3.3Å; R23-M25 PolarHBondContact O-N 3.13Å; M25-R29 WeakPolarHBondContact O-CB 3.41Å; M25-R29 PolarHBondContact O-N 3.21Å
26E95.9Very high91.5Very high108 Ų10891.6 Ų91.651%0.50544%0.443SS..Hα-helixtrans-67.6-43.4173.1-177.8170.7-163.600112.1P22 R23 V24 I28 R29 N30P22-E26 PolarHBondContact O-N 2.9Å; P22-E26 VanDerWaalsContact O-N 3.08Å; R23-E26 PolarHBondContact O-N 3.25Å; V24-E26 VanDerWaalsContact C-N 3.35Å; V24-E26 PolarHBondContact O-N 3.46Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 3.17Å; E26-R29 WeakPolarHBondContact O-CB 3.45Å; E26-R29 PolarHBondContact O-N 3.08Å; E26-N30 PolarHBondContact O-N 3.03Å; E26-N30 VanDerWaalsContact O-N 3.09Å; E26-N30 PolarHBondContact O-ND2 2.97Å
27E92.4Very high90.9Very high81 Ų8198.6 Ų98.638%0.37946%0.462SS..Hα-helixtrans-57.1-49.2174.4-171.9-173.1145.600110.6R23 V24 R29 N30 L31 K69R23-E27 WeakPolarHBondContact O-CB 3.46Å; R23-E27 PolarHBondContact O-N 3.19Å; V24-E27 PolarHBondContact O-N 3.21Å; E27-R29 VanDerWaalsContact C-N 3.31Å; E27-R29 PolarHBondContact O-N 2.95Å; E27-N30 CarbonylContact O-C 3.53Å; E27-N30 PolarHBondContact O-N 2.86Å; E27-N30 VanDerWaalsContact O-N 3.07Å; E27-L31 WeakPolarHBondContact O-CG 3.36Å; E27-L31 PolarHBondContact O-N 3.13Å; E27-K69 IonicContact OE1-NZ 3.27Å; E27-K69 PolarHBondContact OE1-NZ 3.15Å
28I93.5Very high90.2Very high72 Ų72102.8 Ų102.837%0.36949%0.489SS..Hα-helixtrans-58.5-41.9177.5-69.9166.8000111.5V24 E26 N30 L31 I73V24-I28 HydrophobicContact CG1-CD1 3.77Å; V24-I28 HydrophobicContact CG1-CG1 4.42Å; V24-I28 WeakPolarHBondContact O-CB 3.33Å; V24-I28 VanDerWaalsContact O-CG1 3.24Å; V24-I28 WeakPolarHBondContact O-CG1 3.33Å; V24-I28 PolarHBondContact O-N 3.18Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 3.17Å; I28-N30 PolarHBondContact O-N 3.24Å; I28-L31 HydrophobicContact CB-CD1 4.47Å; I28-L31 HydrophobicContact CG1-CD1 4.37Å; I28-L31 WeakPolarHBondContact O-CB 3.31Å; I28-L31 PolarHBondContact O-N 3.03Å; I28-I73 HydrophobicContact CD1-CD1 3.91Å
29R93.7Very high89.7Confident178 Ų17898.5 Ų98.567%0.67247%0.469SS*.Hα-helixtrans-63.4-31.7178.5-168.5-174.1-58.9110.82.3112.3M25 E26 E27M25-R29 WeakPolarHBondContact O-CB 3.41Å; M25-R29 PolarHBondContact O-N 3.21Å; E26-R29 WeakPolarHBondContact O-CB 3.45Å; E26-R29 PolarHBondContact O-N 3.08Å; E27-R29 VanDerWaalsContact C-N 3.31Å; E27-R29 PolarHBondContact O-N 2.95Å
30N92.8Very high89.3Confident106 Ų106102.6 Ų102.657%0.56748%0.48SS*.Hα-helixtrans-93.4-1.1-178-66.1-28.3000113.4E26 E27 I28E26-N30 PolarHBondContact O-N 3.03Å; E26-N30 VanDerWaalsContact O-N 3.09Å; E26-N30 PolarHBondContact O-ND2 2.97Å; E27-N30 CarbonylContact O-C 3.53Å; E27-N30 PolarHBondContact O-N 2.86Å; E27-N30 VanDerWaalsContact O-N 3.07Å; I28-N30 PolarHBondContact O-N 3.24Å
31L89.8Confident89.1Confident45 Ų45104.2 Ų104.224%0.23649%0.49CS..  trans-62.4138.2177.2-74.6172.8000111.2E27 I28 D35E27-L31 WeakPolarHBondContact O-CG 3.36Å; E27-L31 PolarHBondContact O-N 3.13Å; I28-L31 HydrophobicContact CB-CD1 4.47Å; I28-L31 HydrophobicContact CG1-CD1 4.37Å; I28-L31 WeakPolarHBondContact O-CB 3.31Å; I28-L31 PolarHBondContact O-N 3.03Å; L31-D35 HydrophobicContact CD2-CB 3.66Å
32T88.1Confident89.1Confident70 Ų70103.4 Ų103.443%0.42950%0.498SS..  trans-114.2171.3177.773.80000111.1K34 D35 F36T32-K34 PolarHBondContact O-N 3.47Å; T32-K34 VanDerWaalsContact O-N 3.1Å; T32-K34 PolarHBondContact OG1-N 3.05Å; T32-D35 WeakPolarHBondContact CA-OD2 3.31Å; T32-D35 WeakPolarHBondContact CB-OD2 3.49Å; T32-D35 PolarHBondContact N-OD2 3.22Å; T32-D35 PolarHBondContact O-N 3.4Å; T32-D35 VanDerWaalsContact O-N 3.14Å; T32-D35 PolarHBondContact OG1-OD2 2.95Å; T32-F36 WeakPolarHBondContact O-CD2 3.45Å
33I82.2Confident89Confident139 Ų139102.4 Ų102.471%0.71349%0.487SS*.G310 helixtrans-57.9-27.1176.6-61.1171.6000112F36I33-F36 PolarHBondContact O-N 3.28Å
34K81.7Confident89Confident166 Ų16697.4 Ų97.472%0.72248%0.484SS*.G310 helixtrans-69.4-36-179.2-65-177.7179.7-179.80112T32 F36 R37T32-K34 PolarHBondContact O-N 3.47Å; T32-K34 VanDerWaalsContact O-N 3.1Å; T32-K34 PolarHBondContact OG1-N 3.05Å; K34-F36 PolarHBondContact O-N 3.19Å; K34-R37 WeakPolarHBondContact O-CB 3.33Å; K34-R37 PolarHBondContact O-N 2.97Å
35D81.6Confident89.1Confident74 Ų74103.6 Ų103.640%0.39651%0.506SS..G310 helixtrans-66.7-18179.6-52.6-71000111.9L31 T32 Q39L31-D35 HydrophobicContact CD2-CB 3.66Å; T32-D35 WeakPolarHBondContact CA-OD2 3.31Å; T32-D35 WeakPolarHBondContact CB-OD2 3.49Å; T32-D35 PolarHBondContact N-OD2 3.22Å; T32-D35 PolarHBondContact O-N 3.4Å; T32-D35 VanDerWaalsContact O-N 3.14Å; T32-D35 PolarHBondContact OG1-OD2 2.95Å; D35-Q39 PolarHBondContact O-NE2 3.37Å
36F79.3Confident89.2Confident87 Ų8799.7 Ų99.738%0.38249%0.487SS..G310 helixtrans-81.5-16.2174.1-62.1-64.5000114.1T32 I33 K34 Q39 V65T32-F36 WeakPolarHBondContact O-CD2 3.45Å; I33-F36 PolarHBondContact O-N 3.28Å; K34-F36 PolarHBondContact O-N 3.19Å; F36-Q39 PolarHBondContact O-NE2 3.41Å; F36-Q39 VanDerWaalsContact O-NE2 3.08Å; F36-V65 HydrophobicContact CB-CG1 4.23Å; F36-V65 HydrophobicContact CD1-CG1 3.28Å; F36-V65 HydrophobicContact CE1-CG1 3.98Å; F36-V65 HydrophobicContact CG-CG1 4.08Å
37R78.8Confident89.3Confident215 Ų21599.5 Ų99.581%0.81148%0.484SS*.THydrogen-bonded Turntrans-81.4-28.9-178.5-65.1-164.9178.2-166.30113.6K34K34-R37 WeakPolarHBondContact O-CB 3.33Å; K34-R37 PolarHBondContact O-N 2.97Å
38V79.3Confident89.5Confident119 Ų119101.7 Ų101.772%0.72149%0.493SS*.SBendtrans-115.4109178.6-176.50000107.2
39Q84.2Confident89.7Confident46 Ų46102.6 Ų102.622%0.21550%0.497CS..  trans-109.5133.6179-63.2-61.8-34.700109.4D35 F36 L41 L43 A68D35-Q39 PolarHBondContact O-NE2 3.37Å; F36-Q39 PolarHBondContact O-NE2 3.41Å; F36-Q39 VanDerWaalsContact O-NE2 3.08Å; Q39-L41 WeakPolarHBondContact CB-O 3.33Å; Q39-L41 PolarHBondContact O-N 2.98Å; Q39-L43 HydrophobicContact CB-CD2 4.5Å; Q39-L43 HydrophobicContact CG-CD2 4.02Å; Q39-L43 HydrophobicContact CG-CG 4.33Å; Q39-A68 HydrophobicContact CG-CB 4.48Å
40E86.8Confident89.9Confident152 Ų15296.2 Ų96.271%0.7148%0.476SS*.SBendtrans-59.2-29.4172.2-65.4-63.9147.300111.9
41L92.3Very high90.2Very high52 Ų5295.6 Ų95.627%0.27247%0.468SS..SBendtrans-113.7135.1-176.9-60.9177.3000111.4Q39 L43 I46 A68 A71Q39-L41 WeakPolarHBondContact CB-O 3.33Å; Q39-L41 PolarHBondContact O-N 2.98Å; L41-L43 PolarHBondContact O-N 3.32Å; L41-I46 HydrophobicContact CB-CD1 3.97Å; L41-A68 HydrophobicContact CB-CB 4.45Å; L41-A71 HydrophobicContact CD1-CB 3.61Å
42P94.9Very high90.5Very high86 Ų8699.7 Ų99.756%0.55849%0.489SS*.  trans-69.4116-177.724.3-31.4000111.9A44 R45 I46P42-A44 VanDerWaalsContact C-N 3.25Å; P42-A44 PolarHBondContact O-N 2.68Å; P42-R45 HydrophobicContact CB-CB 4.38Å; P42-R45 HydrophobicContact CG-CB 3.9Å; P42-R45 WeakPolarHBondContact O-CB 3.47Å; P42-R45 PolarHBondContact O-N 3.05Å; P42-I46 PolarHBondContact O-N 2.76Å
43L95Very high91Very high64 Ų64100.7 Ų100.734%0.33549%0.492SS..Hα-helixtrans-56.3-36.6-177.2-62.5-175.1000113.5Q39 L41 R45 I46 K47 P64 V65 A68Q39-L43 HydrophobicContact CB-CD2 4.5Å; Q39-L43 HydrophobicContact CG-CD2 4.02Å; Q39-L43 HydrophobicContact CG-CG 4.33Å; L41-L43 PolarHBondContact O-N 3.32Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.27Å; L43-I46 HydrophobicContact CD2-CD1 4.31Å; L43-I46 PolarHBondContact O-N 3.36Å; L43-K47 WeakPolarHBondContact O-CB 3.38Å; L43-K47 PolarHBondContact O-N 2.91Å; L43-P64 HydrophobicContact CB-CB 4.42Å; L43-P64 HydrophobicContact CD2-CB 4.19Å; L43-V65 HydrophobicContact CD1-CG2 3.96Å; L43-V65 HydrophobicContact CD2-CG2 4.26Å; L43-A68 HydrophobicContact CD2-CB 4.04Å
44A95.8Very high91.6Very high71 Ų71103 Ų10359%0.58750%0.5SS*.Hα-helixtrans-62.2-37.2177.500000112.2P42 K48P42-A44 VanDerWaalsContact C-N 3.25Å; P42-A44 PolarHBondContact O-N 2.68Å; A44-K48 WeakPolarHBondContact O-CB 3.28Å; A44-K48 PolarHBondContact O-N 3.25Å
45R97.9Very high92.4Very high140 Ų140102.2 Ų102.253%0.52850%0.503SS..Hα-helixtrans-70.9-41.8178.4-172.158.3173.2143.3-4111.1P42 L43 K48 I49P42-R45 HydrophobicContact CB-CB 4.38Å; P42-R45 HydrophobicContact CG-CB 3.9Å; P42-R45 WeakPolarHBondContact O-CB 3.47Å; P42-R45 PolarHBondContact O-N 3.05Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.27Å; R45-K48 PolarHBondContact O-N 3.21Å; R45-I49 HydrophobicContact CG-CD1 4.37Å; R45-I49 WeakPolarHBondContact O-CG1 3.47Å; R45-I49 PolarHBondContact O-N 3.37Å
46I97.7Very high93.1Very high22 Ų22100.8 Ų100.811%0.11350%0.497CS..Hα-helixtrans-58.7-51.3174.5-61.7170.9000109.6L41 P42 L43 K48 I49 M50 P64 F67 A68L41-I46 HydrophobicContact CB-CD1 3.97Å; P42-I46 PolarHBondContact O-N 2.76Å; L43-I46 HydrophobicContact CD2-CD1 4.31Å; L43-I46 PolarHBondContact O-N 3.36Å; I46-K48 VanDerWaalsContact C-N 3.27Å; I46-K48 PolarHBondContact O-N 3.04Å; I46-I49 PolarHBondContact O-N 2.96Å; I46-M50 HydrophobicContact CG2-CG 4.49Å; I46-M50 HydrophobicContact CG2-SD 4.16Å; I46-M50 WeakPolarHBondContact O-CG 3.33Å; I46-M50 PolarHBondContact O-N 3.07Å; I46-P64 HydrophobicContact CG2-CB 4.28Å; I46-F67 HydrophobicContact CG2-CB 3.62Å; I46-F67 HydrophobicContact CG2-CG 4.39Å; I46-A68 HydrophobicContact CD1-CB 3.58Å
47K97.1Very high93.8Very high104 Ų104105.2 Ų105.245%0.45252%0.516SS..Hα-helixtrans-57.6-39176.9-172.1176.9-178.7175.90112.3L43 M50 K51 I59 P64L43-K47 WeakPolarHBondContact O-CB 3.38Å; L43-K47 PolarHBondContact O-N 2.91Å; K47-M50 PolarHBondContact O-N 2.99Å; K47-K51 WeakPolarHBondContact O-CB 3.45Å; K47-K51 WeakPolarHBondContact O-CG 3.48Å; K47-K51 PolarHBondContact O-N 2.93Å; K47-K51 VanDerWaalsContact O-N 3.12Å; K47-I59 HydrophobicContact CG-CD1 4.04Å; K47-P64 HydrophobicContact CB-CG 4.28Å
48K97.8Very high94.6Very high128 Ų128103.4 Ų103.456%0.55752%0.519SS*.Hα-helixtrans-65.8-38.3176.4-172.8171.7-179.11760112.4A44 R45 I46 K51 L52A44-K48 WeakPolarHBondContact O-CB 3.28Å; A44-K48 PolarHBondContact O-N 3.25Å; R45-K48 PolarHBondContact O-N 3.21Å; I46-K48 VanDerWaalsContact C-N 3.27Å; I46-K48 PolarHBondContact O-N 3.04Å; K48-K51 PolarHBondContact O-N 2.9Å; K48-L52 PolarHBondContact O-N 3.34Å
49I98Very high95.4Very high91 Ų9199 Ų9947%0.46749%0.492SS..Hα-helixtrans-67.2-45.2175.4-68165.5000110.5R45 I46 K51 L52R45-I49 HydrophobicContact CG-CD1 4.37Å; R45-I49 WeakPolarHBondContact O-CG1 3.47Å; R45-I49 PolarHBondContact O-N 3.37Å; I46-I49 PolarHBondContact O-N 2.96Å; I49-K51 PolarHBondContact O-N 3.33Å; I49-L52 HydrophobicContact CG2-CD1 4.4Å; I49-L52 VanDerWaalsContact O-CB 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.32Å; I49-L52 WeakPolarHBondContact O-CG 3.39Å; I49-L52 PolarHBondContact O-N 3.19Å
50M98.1Very high96Very high44 Ų44100.2 Ų100.222%0.21751%0.505CS..Hα-helixtrans-58.6-29.4175.6-65.5174.471.900112.8I46 K47 L52 I59 A63 P64 F67I46-M50 HydrophobicContact CG2-CG 4.49Å; I46-M50 HydrophobicContact CG2-SD 4.16Å; I46-M50 WeakPolarHBondContact O-CG 3.33Å; I46-M50 PolarHBondContact O-N 3.07Å; K47-M50 PolarHBondContact O-N 2.99Å; M50-L52 VanDerWaalsContact C-N 3.34Å; M50-I59 HydrophobicContact CB-CD1 3.61Å; M50-I59 HydrophobicContact CE-CD1 4.22Å; M50-I59 HydrophobicContact CE-CG1 4.36Å; M50-I59 HydrophobicContact CE-CG2 3.67Å; M50-I59 HydrophobicContact SD-CD1 4.37Å; M50-I59 HydrophobicContact SD-CG2 4.12Å; M50-A63 HydrophobicContact CE-CB 3.97Å; M50-P64 HydrophobicContact SD-CG 4.34Å; M50-F67 HydrophobicContact CE-CD2 3.89Å; M50-F67 HydrophobicContact CE-CE2 3.69Å; M50-F67 HydrophobicContact CG-CD2 4.44Å; M50-F67 HydrophobicContact CG-CE2 4.48Å; M50-F67 HydrophobicContact SD-CD2 3.74Å; M50-F67 HydrophobicContact SD-CE2 4.08Å
51K97.4Very high96.3Very high92 Ų9297.1 Ų97.140%0.451%0.505SS..THydrogen-bonded Turntrans-83.5-1.2177.3-80.4-62.9-162.5159.70115K47 K48 I49 V56 K57 I59K47-K51 WeakPolarHBondContact O-CB 3.45Å; K47-K51 WeakPolarHBondContact O-CG 3.48Å; K47-K51 PolarHBondContact O-N 2.93Å; K47-K51 VanDerWaalsContact O-N 3.12Å; K48-K51 PolarHBondContact O-N 2.9Å; I49-K51 PolarHBondContact O-N 3.33Å; K51-V56 HydrophobicContact CD-CG1 4.34Å; K51-V56 WeakPolarHBondContact CD-O 3.48Å; K51-V56 PolarHBondContact NZ-O 3.33Å; K51-K57 VanDerWaalsContact NZ-C 3.28Å; K51-K57 PolarHBondContact NZ-O 2.95Å; K51-I59 HydrophobicContact CD-CD1 3.95Å; K51-I59 HydrophobicContact CG-CD1 3.69Å
52L97.4Very high96.4Very high132 Ų132101.5 Ų101.569%0.69152%0.524SS*.THydrogen-bonded Turntrans-69.9-22.5171.6-64.3174.4000111.7K48 I49 M50K48-L52 PolarHBondContact O-N 3.34Å; I49-L52 HydrophobicContact CG2-CD1 4.4Å; I49-L52 VanDerWaalsContact O-CB 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.32Å; I49-L52 WeakPolarHBondContact O-CG 3.39Å; I49-L52 PolarHBondContact O-N 3.19Å; M50-L52 VanDerWaalsContact C-N 3.34Å
53D97.3Very high96.5Very high90 Ų9098.6 Ų98.648%0.48151%0.507SS..SBendtrans-79.2120.6172.1-171.1-26.3000110D55 V56D53-D55 PolarHBondContact O-N 3.04Å; D53-D55 PolarHBondContact OD1-N 2.98Å; D53-V56 HydrophobicContact CB-CB 4.47Å; D53-V56 HydrophobicContact CB-CG2 3.79Å; D53-V56 PolarHBondContact O-N 3.25Å
54E96.5Very high96.5Very high189 Ų18995.9 Ų95.988%0.88349%0.494SS*.THydrogen-bonded Turntrans-64.2-26.3-177.1-62.7-172.6171.300112.6V56E54-V56 PolarHBondContact O-N 2.73Å
55D97Very high96.4Very high148 Ų14893.7 Ų93.779%0.79147%0.473SS*.THydrogen-bonded Turntrans-77.9-10.6-179.5-70.5-37.2000112.5D53 K57D53-D55 PolarHBondContact O-N 3.04Å; D53-D55 PolarHBondContact OD1-N 2.98Å; D55-K57 PolarHBondContact O-N 2.95Å
56V95.9Very high96.2Very high44 Ų4492.6 Ų92.627%0.26748%0.477SS..  trans-89.297.5-177.5-178.90000111.9K51 D53 E54 I59K51-V56 HydrophobicContact CD-CG1 4.34Å; K51-V56 WeakPolarHBondContact CD-O 3.48Å; K51-V56 PolarHBondContact NZ-O 3.33Å; D53-V56 HydrophobicContact CB-CB 4.47Å; D53-V56 HydrophobicContact CB-CG2 3.79Å; D53-V56 PolarHBondContact O-N 3.25Å; E54-V56 PolarHBondContact O-N 2.73Å; V56-I59 HydrophobicContact CG1-CD1 3.85Å; V56-I59 HydrophobicContact CG1-CG1 3.57Å
57K94.2Very high96.2Very high180 Ų18096.7 Ų96.778%0.78349%0.494SS*.  trans-83-51.2-180-65.1-176.1-176.5176.70115.2K51 D55K51-K57 VanDerWaalsContact NZ-C 3.28Å; K51-K57 PolarHBondContact NZ-O 2.95Å; D55-K57 PolarHBondContact O-N 2.95Å
58M95.7Very high96.1Very high177 Ų17791.9 Ų91.987%0.87247%0.474SS*.  trans-128.2143.7-178.5-71.2-76.6-90.600108.7
59I96.4Very high95.9Very high28 Ų2887.2 Ų87.214%0.14445%0.454CS..  trans-124.9121.9179.7-61.7172000107.2K47 M50 K51 V56 A63 P64K47-I59 HydrophobicContact CG-CD1 4.04Å; M50-I59 HydrophobicContact CB-CD1 3.61Å; M50-I59 HydrophobicContact CE-CD1 4.22Å; M50-I59 HydrophobicContact CE-CG1 4.36Å; M50-I59 HydrophobicContact CE-CG2 3.67Å; M50-I59 HydrophobicContact SD-CD1 4.37Å; M50-I59 HydrophobicContact SD-CG2 4.12Å; K51-I59 HydrophobicContact CD-CD1 3.95Å; K51-I59 HydrophobicContact CG-CD1 3.69Å; V56-I59 HydrophobicContact CG1-CD1 3.85Å; V56-I59 HydrophobicContact CG1-CG1 3.57Å; I59-A63 HydrophobicContact CG2-CB 4.15Å; I59-P64 HydrophobicContact CG2-CG 4.05Å
60S97.6Very high95.8Very high70 Ų7085.4 Ų85.449%0.4945%0.452SS..  trans-58.6147.2173.2178.80000110.6E62 A63 P64S60-E62 PolarHBondContact O-N 2.99Å; S60-E62 PolarHBondContact OG-N 3.25Å; S60-A63 PolarHBondContact O-N 2.84Å; S60-P64 WeakPolarHBondContact O-CD 3.43Å
61A93.2Very high95.8Very high87 Ų8784.7 Ų84.772%0.71945%0.453SS*.THydrogen-bonded Turntrans-61.2-25.117700000112.8
62E93.6Very high95.7Very high144 Ų14483.5 Ų83.567%0.67345%0.449SS*.Hα-helixtrans-75.1-32-179.8-61.4173.2152.700112.6S60 V65 L66S60-E62 PolarHBondContact O-N 2.99Å; S60-E62 PolarHBondContact OG-N 3.25Å; E62-V65 WeakPolarHBondContact O-CB 3.36Å; E62-V65 PolarHBondContact O-N 3.39Å; E62-L66 PolarHBondContact O-N 3.42Å
63A96.3Very high95.6Very high25 Ų2578.3 Ų78.321%0.20742%0.422CS..Hα-helixtrans-65.1-46.1-172.100000113.4M50 I59 S60 V65 L66 F67M50-A63 HydrophobicContact CE-CB 3.97Å; I59-A63 HydrophobicContact CG2-CB 4.15Å; S60-A63 PolarHBondContact O-N 2.84Å; A63-V65 PolarHBondContact O-N 3.4Å; A63-L66 PolarHBondContact O-N 3.29Å; A63-F67 WeakPolarHBondContact O-CD2 3.39Å; A63-F67 PolarHBondContact O-N 2.86Å
64P95.8Very high95.6Very high7 Ų777.1 Ų77.15%0.04541%0.412CS..Hα-helixtrans-59.1-33174.6-26.335.8000113.4L43 I46 K47 M50 I59 S60 A68L43-P64 HydrophobicContact CB-CB 4.42Å; L43-P64 HydrophobicContact CD2-CB 4.19Å; I46-P64 HydrophobicContact CG2-CB 4.28Å; K47-P64 HydrophobicContact CB-CG 4.28Å; M50-P64 HydrophobicContact SD-CG 4.34Å; I59-P64 HydrophobicContact CG2-CG 4.05Å; S60-P64 WeakPolarHBondContact O-CD 3.43Å; P64-A68 WeakPolarHBondContact O-CB 3.26Å; P64-A68 PolarHBondContact O-N 3.08Å
65V93.7Very high95.7Very high25 Ų2572.3 Ų72.315%0.15239%0.392CS..Hα-helixtrans-69.6-44.6179-179.40000110.6F36 L43 E62 A63 F67 A68 K69F36-V65 HydrophobicContact CB-CG1 4.23Å; F36-V65 HydrophobicContact CD1-CG1 3.28Å; F36-V65 HydrophobicContact CE1-CG1 3.98Å; F36-V65 HydrophobicContact CG-CG1 4.08Å; L43-V65 HydrophobicContact CD1-CG2 3.96Å; L43-V65 HydrophobicContact CD2-CG2 4.26Å; E62-V65 WeakPolarHBondContact O-CB 3.36Å; E62-V65 PolarHBondContact O-N 3.39Å; A63-V65 PolarHBondContact O-N 3.4Å; V65-F67 PolarHBondContact O-N 3.24Å; V65-A68 WeakPolarHBondContact O-CB 3.48Å; V65-A68 PolarHBondContact O-N 3.31Å; V65-K69 PolarHBondContact O-N 2.98Å
66L94.2Very high95.7Very high117 Ų11768.2 Ų68.261%0.61337%0.372SS*.Hα-helixtrans-62.3-42.8174.3-67.2176.1000111.7E62 A63 A68 K69 A70E62-L66 PolarHBondContact O-N 3.42Å; A63-L66 PolarHBondContact O-N 3.29Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.38Å; L66-K69 PolarHBondContact O-N 3.45Å; L66-A70 WeakPolarHBondContact O-CB 3.26Å; L66-A70 PolarHBondContact O-N 2.81Å
67F96.9Very high95.7Very high109 Ų10966.3 Ų66.348%0.47836%0.36SS..Hα-helixtrans-64.1-36176-89.6-66.8000112.8I46 M50 A63 V65 K69 A70 A71I46-F67 HydrophobicContact CG2-CB 3.62Å; I46-F67 HydrophobicContact CG2-CG 4.39Å; M50-F67 HydrophobicContact CE-CD2 3.89Å; M50-F67 HydrophobicContact CE-CE2 3.69Å; M50-F67 HydrophobicContact CG-CD2 4.44Å; M50-F67 HydrophobicContact CG-CE2 4.48Å; M50-F67 HydrophobicContact SD-CD2 3.74Å; M50-F67 HydrophobicContact SD-CE2 4.08Å; A63-F67 WeakPolarHBondContact O-CD2 3.39Å; A63-F67 PolarHBondContact O-N 2.86Å; V65-F67 PolarHBondContact O-N 3.24Å; F67-K69 VanDerWaalsContact C-N 3.34Å; F67-K69 PolarHBondContact O-N 2.97Å; F67-A70 PolarHBondContact O-N 3.12Å; F67-A71 WeakPolarHBondContact O-CB 3.5Å; F67-A71 PolarHBondContact O-N 2.99Å
68A95.4Very high95.9Very high3 Ų358.8 Ų58.83%0.02533%0.329CS..Hα-helixtrans-58.9-48.3175.500000110.8Q39 L41 L43 I46 P64 V65 L66 Q72Q39-A68 HydrophobicContact CG-CB 4.48Å; L41-A68 HydrophobicContact CB-CB 4.45Å; L43-A68 HydrophobicContact CD2-CB 4.04Å; I46-A68 HydrophobicContact CD1-CB 3.58Å; P64-A68 WeakPolarHBondContact O-CB 3.26Å; P64-A68 PolarHBondContact O-N 3.08Å; V65-A68 WeakPolarHBondContact O-CB 3.48Å; V65-A68 PolarHBondContact O-N 3.31Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.38Å; A68-Q72 PolarHBondContact O-N 3.09Å; A68-Q72 VanDerWaalsContact O-N 3.07Å
69K94.2Very high95.9Very high30 Ų3053.1 Ų53.113%0.1330%0.304CS..Hα-helixtrans-67.8-44.2178.3-172.761.6179.5-1760112.5E27 V65 L66 F67 A71 Q72 I73E27-K69 IonicContact OE1-NZ 3.27Å; E27-K69 PolarHBondContact OE1-NZ 3.15Å; V65-K69 PolarHBondContact O-N 2.98Å; L66-K69 PolarHBondContact O-N 3.45Å; F67-K69 VanDerWaalsContact C-N 3.34Å; F67-K69 PolarHBondContact O-N 2.97Å; K69-A71 VanDerWaalsContact C-N 3.35Å; K69-A71 PolarHBondContact O-N 3.23Å; K69-Q72 VanDerWaalsContact NZ-OE1 3.16Å; K69-Q72 WeakPolarHBondContact O-CB 3.33Å; K69-Q72 PolarHBondContact O-N 2.86Å; K69-I73 HydrophobicContact CG-CD1 4.1Å; K69-I73 WeakPolarHBondContact O-CG1 3.26Å; K69-I73 PolarHBondContact O-N 2.95Å; K69-I73 VanDerWaalsContact O-N 3.08Å
70A95.7Very high96Very high52 Ų5253.3 Ų53.343%0.4331%0.305SS..Hα-helixtrans-62.3-42.2178.400000111.7L66 F67 I73 F74L66-A70 WeakPolarHBondContact O-CB 3.26Å; L66-A70 PolarHBondContact O-N 2.81Å; F67-A70 PolarHBondContact O-N 3.12Å; A70-I73 PolarHBondContact O-N 2.99Å; A70-F74 VanDerWaalsContact O-CB 3.27Å; A70-F74 WeakPolarHBondContact O-CB 3.16Å; A70-F74 PolarHBondContact O-N 3.24Å
71A97.4Very high95.9Very high30 Ų3052.2 Ų52.225%0.24829%0.291CS..Hα-helixtrans-64.9-38.8176.900000111.9L41 F67 K69 F74 I75L41-A71 HydrophobicContact CD1-CB 3.61Å; F67-A71 WeakPolarHBondContact O-CB 3.5Å; F67-A71 PolarHBondContact O-N 2.99Å; K69-A71 VanDerWaalsContact C-N 3.35Å; K69-A71 PolarHBondContact O-N 3.23Å; A71-F74 PolarHBondContact O-N 3.1Å; A71-I75 WeakPolarHBondContact O-CB 3.49Å; A71-I75 WeakPolarHBondContact O-CD1 3.16Å; A71-I75 WeakPolarHBondContact O-CG1 3.33Å; A71-I75 PolarHBondContact O-N 2.77Å
72Q95.1Very high96.1Very high67 Ų6748.1 Ų48.131%0.31326%0.256SS..Hα-helixtrans-57.3-52.5172.5-174-170.612.600110.9A68 K69 F74 I75 T76A68-Q72 PolarHBondContact O-N 3.09Å; A68-Q72 VanDerWaalsContact O-N 3.07Å; K69-Q72 VanDerWaalsContact NZ-OE1 3.16Å; K69-Q72 WeakPolarHBondContact O-CB 3.33Å; K69-Q72 PolarHBondContact O-N 2.86Å; Q72-F74 PolarHBondContact O-N 3.37Å; Q72-I75 PolarHBondContact O-N 2.76Å; Q72-T76 PolarHBondContact O-N 2.93Å; Q72-T76 PolarHBondContact O-OG1 3.44Å; Q72-T76 VanDerWaalsContact O-OG1 3.05Å
73I96.3Very high96.3Very high22 Ų2245 Ų4511%0.11324%0.239CC..Hα-helixtrans-59.6-47.3179.6-65.1163.2000110.5F20 W21 V24 I28 K69 A70 I75 T76 E77F20-I73 HydrophobicContact CE1-CG2 4.08Å; F20-I73 HydrophobicContact CZ-CG2 3.85Å; W21-I73 HydrophobicContact CH2-CG2 3.9Å; W21-I73 HydrophobicContact CZ2-CG2 4.46Å; W21-I73 HydrophobicContact CZ3-CG2 4.19Å; V24-I73 HydrophobicContact CG1-CD1 3.65Å; V24-I73 HydrophobicContact CG1-CG1 3.9Å; V24-I73 HydrophobicContact CG1-CG2 4.03Å; I28-I73 HydrophobicContact CD1-CD1 3.91Å; K69-I73 HydrophobicContact CG-CD1 4.1Å; K69-I73 WeakPolarHBondContact O-CG1 3.26Å; K69-I73 PolarHBondContact O-N 2.95Å; K69-I73 VanDerWaalsContact O-N 3.08Å; A70-I73 PolarHBondContact O-N 2.99Å; I73-I75 PolarHBondContact O-N 2.98Å; I73-T76 PolarHBondContact O-N 3.49Å; I73-E77 WeakPolarHBondContact O-CB 3.48Å; I73-E77 PolarHBondContact O-N 3.49Å
74F97.6Very high96.3Very high65 Ų6545 Ų4529%0.28524%0.235SC..Hα-helixtrans-59-47.3179169.2-101000112.2A70 A71 Q72 T76 E77 L78 F109 F111 L112A70-F74 VanDerWaalsContact O-CB 3.27Å; A70-F74 WeakPolarHBondContact O-CB 3.16Å; A70-F74 PolarHBondContact O-N 3.24Å; A71-F74 PolarHBondContact O-N 3.1Å; Q72-F74 PolarHBondContact O-N 3.37Å; F74-T76 PolarHBondContact O-N 3.23Å; F74-E77 PolarHBondContact O-N 2.98Å; F74-L78 HydrophobicContact CE1-CD2 4.19Å; F74-L78 HydrophobicContact CZ-CD2 3.88Å; F74-L78 VanDerWaalsContact O-CB 3.26Å; F74-L78 WeakPolarHBondContact O-CB 3.45Å; F74-L78 PolarHBondContact O-N 3.37Å; F74-F109 HydrophobicContact CD2-CE1 4.16Å; F74-F109 HydrophobicContact CE2-CD1 4.02Å; F74-F109 AromaticContact CE2-CE1 3.87Å; F74-F109 HydrophobicContact CE2-CE1 3.87Å; F74-F111 HydrophobicContact CE2-CE1 4.05Å; F74-F111 AromaticContact CE2-CZ 3.63Å; F74-F111 HydrophobicContact CE2-CZ 3.63Å; F74-F111 AromaticContact CZ-CZ 3.79Å; F74-F111 HydrophobicContact CZ-CZ 3.79Å; F74-L112 HydrophobicContact CE2-CD1 4.29Å; F74-L112 HydrophobicContact CZ-CD1 3.81Å
75I97.4Very high96.2Very high88 Ų8845.3 Ų45.345%0.45124%0.236SC..Hα-helixtrans-62.4-45.3178.3-69.3164.6000110.1A71 Q72 I73 T79A71-I75 WeakPolarHBondContact O-CB 3.49Å; A71-I75 WeakPolarHBondContact O-CD1 3.16Å; A71-I75 WeakPolarHBondContact O-CG1 3.33Å; A71-I75 PolarHBondContact O-N 2.77Å; Q72-I75 PolarHBondContact O-N 2.76Å; I73-I75 PolarHBondContact O-N 2.98Å; I75-T79 WeakPolarHBondContact O-CB 3.38Å; I75-T79 PolarHBondContact O-N 3.25Å; I75-T79 PolarHBondContact O-OG1 3.07Å
76T96.3Very high96.3Very high62 Ų6244.1 Ų44.138%0.3823%0.228SC..Hα-helixtrans-62.1-46.9179.3-55.40000111.6F20 Q72 I73 F74 T79 L80F20-T76 HydrophobicContact CE2-CG2 3.71Å; F20-T76 HydrophobicContact CZ-CG2 4.49Å; Q72-T76 PolarHBondContact O-N 2.93Å; Q72-T76 PolarHBondContact O-OG1 3.44Å; Q72-T76 VanDerWaalsContact O-OG1 3.05Å; I73-T76 PolarHBondContact O-N 3.49Å; F74-T76 PolarHBondContact O-N 3.23Å; T76-T79 PolarHBondContact O-N 3.39Å; T76-L80 HydrophobicContact CG2-CD1 4.22Å; T76-L80 WeakPolarHBondContact O-CG 3.27Å; T76-L80 PolarHBondContact O-N 3.26Å
77E96.9Very high96.4Very high4 Ų441.1 Ų41.12%0.01921%0.211CC..Hα-helixtrans-65-48.1-179.5-171.2176.9-171.600112.1L17 F20 W21 I73 F74 T79 L80 R81 F109L17-E77 HydrophobicContact CD1-CG 4.14Å; F20-E77 HydrophobicContact CD1-CB 4.36Å; F20-E77 HydrophobicContact CD1-CG 4.21Å; F20-E77 HydrophobicContact CE1-CB 3.61Å; F20-E77 HydrophobicContact CE1-CG 3.88Å; F20-E77 HydrophobicContact CZ-CB 3.74Å; F20-E77 HydrophobicContact CZ-CG 4.46Å; W21-E77 WeakPolarHBondContact CZ2-OE2 3.35Å; W21-E77 PolarHBondContact NE1-OE1 3.39Å; W21-E77 PolarHBondContact NE1-OE2 2.94Å; I73-E77 WeakPolarHBondContact O-CB 3.48Å; I73-E77 PolarHBondContact O-N 3.49Å; F74-E77 PolarHBondContact O-N 2.98Å; E77-T79 VanDerWaalsContact C-N 3.26Å; E77-T79 PolarHBondContact O-N 3.24Å; E77-L80 PolarHBondContact O-N 2.8Å; E77-R81 WeakPolarHBondContact O-CG 3.2Å; E77-R81 PolarHBondContact O-N 3.49Å; E77-R81 IonicContact OE1-CZ 3.65Å; E77-R81 VanDerWaalsContact OE1-CZ 3.32Å; E77-R81 IonicContact OE1-NE 3.48Å; E77-R81 PolarHBondContact OE1-NE 3.43Å; E77-R81 IonicContact OE1-NH2 2.68Å; E77-R81 PolarHBondContact OE1-NH2 2.87Å; E77-F109 HydrophobicContact CG-CZ 4.47Å
78L97.6Very high96.2Very high22 Ų2240 Ų4012%0.11521%0.211CC..Hα-helixtrans-59.6-41.4178.2179.261.4000110.7F74 R81 A82 I99 I103 F109 L112F74-L78 HydrophobicContact CE1-CD2 4.19Å; F74-L78 HydrophobicContact CZ-CD2 3.88Å; F74-L78 VanDerWaalsContact O-CB 3.26Å; F74-L78 WeakPolarHBondContact O-CB 3.45Å; F74-L78 PolarHBondContact O-N 3.37Å; L78-R81 PolarHBondContact O-N 3.42Å; L78-A82 WeakPolarHBondContact O-CB 3.42Å; L78-A82 PolarHBondContact O-N 3.29Å; L78-I99 HydrophobicContact CD1-CG2 4.31Å; L78-I99 HydrophobicContact CD2-CG2 4.28Å; L78-I99 HydrophobicContact CG-CG2 4.44Å; L78-I103 HydrophobicContact CD1-CG1 4.13Å; L78-F109 HydrophobicContact CB-CE2 4.48Å; L78-F109 HydrophobicContact CB-CZ 4.33Å; L78-F109 HydrophobicContact CD1-CD2 3.83Å; L78-F109 HydrophobicContact CD1-CE2 3.64Å; L78-F109 HydrophobicContact CD1-CZ 4.25Å; L78-L112 HydrophobicContact CD2-CD1 4.44Å
79T97.3Very high96.1Very high59 Ų5944 Ų4436%0.36223%0.231SC..Hα-helixtrans-65.6-43.6177.8-57.10000111.5I75 T76 E77 R81 A82 W83 L94I75-T79 WeakPolarHBondContact O-CB 3.38Å; I75-T79 PolarHBondContact O-N 3.25Å; I75-T79 PolarHBondContact O-OG1 3.07Å; T76-T79 PolarHBondContact O-N 3.39Å; E77-T79 VanDerWaalsContact C-N 3.26Å; E77-T79 PolarHBondContact O-N 3.24Å; T79-R81 PolarHBondContact O-N 2.91Å; T79-A82 PolarHBondContact O-N 2.84Å; T79-W83 VanDerWaalsContact O-CB 3.26Å; T79-W83 WeakPolarHBondContact O-CB 3.49Å; T79-W83 PolarHBondContact O-N 2.91Å; T79-L94 HydrophobicContact CG2-CD2 4.02Å
80L96.8Very high96.1Very high32 Ų3250.8 Ų50.817%0.16826%0.261CS..Hα-helixtrans-60.9-44.6175.8-77.7172.1000111.7T16 L17 F20 T76 E77 W83 I84T16-L80 HydrophobicContact CG2-CD1 4.12Å; T16-L80 HydrophobicContact CG2-CD2 4.03Å; L17-L80 HydrophobicContact CD1-CB 4.22Å; F20-L80 HydrophobicContact CD2-CD1 3.82Å; F20-L80 HydrophobicContact CE2-CD1 4.31Å; F20-L80 HydrophobicContact CG-CD1 4.42Å; T76-L80 HydrophobicContact CG2-CD1 4.22Å; T76-L80 WeakPolarHBondContact O-CG 3.27Å; T76-L80 PolarHBondContact O-N 3.26Å; E77-L80 PolarHBondContact O-N 2.8Å; L80-W83 PolarHBondContact O-N 3.33Å; L80-I84 PolarHBondContact O-N 3.08Å
81R96.8Very high96.1Very high47 Ų4751.4 Ų51.418%0.17725%0.252CS..Hα-helixtrans-64.8-41.1178-71.5168.1179.6-92.86.5112L17 E77 L78 T79 A102 F106 F109L17-R81 HydrophobicContact CD1-CG 3.97Å; L17-R81 HydrophobicContact CD2-CG 3.64Å; L17-R81 HydrophobicContact CG-CG 4.49Å; E77-R81 WeakPolarHBondContact O-CG 3.2Å; E77-R81 PolarHBondContact O-N 3.49Å; E77-R81 IonicContact OE1-CZ 3.65Å; E77-R81 VanDerWaalsContact OE1-CZ 3.32Å; E77-R81 IonicContact OE1-NE 3.48Å; E77-R81 PolarHBondContact OE1-NE 3.43Å; E77-R81 IonicContact OE1-NH2 2.68Å; E77-R81 PolarHBondContact OE1-NH2 2.87Å; L78-R81 PolarHBondContact O-N 3.42Å; T79-R81 PolarHBondContact O-N 2.91Å; R81-A102 HydrophobicContact CB-CB 3.99Å; R81-F106 VanDerWaalsContact CZ-CE1 3.44Å; R81-F106 VanDerWaalsContact NH2-CE1 3.26Å; R81-F109 VanDerWaalsContact CD-CE2 3.42Å
82A96.9Very high96.1Very high0 Ų060.9 Ų60.90%028%0.281CS..Hα-helixtrans-67.2-36.9174.100000111.7L78 T79 I84 H85 T86 L94 D98 I99 A102L78-A82 WeakPolarHBondContact O-CB 3.42Å; L78-A82 PolarHBondContact O-N 3.29Å; T79-A82 PolarHBondContact O-N 2.84Å; A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 PolarHBondContact O-N 2.87Å; A82-H85 WeakPolarHBondContact O-CB 3.37Å; A82-H85 PolarHBondContact O-N 2.9Å; A82-T86 PolarHBondContact O-N 3.44Å; A82-L94 HydrophobicContact CB-CD1 3.8Å; A82-D98 HydrophobicContact CB-CB 4.24Å; A82-D98 WeakPolarHBondContact O-CB 3.36Å; A82-I99 HydrophobicContact CB-CB 4.48Å; A82-I99 HydrophobicContact CB-CG1 3.91Å; A82-A102 HydrophobicContact CB-CB 4.13Å
83W97.4Very high96.1Very high80 Ų8062.4 Ų62.430%0.30330%0.295SS..Hα-helixtrans-63.7-33.6-179.3-169.2-94.8000113.3A13 T79 L80 H85 T86 E87 L94A13-W83 HydrophobicContact CB-CB 4.4Å; A13-W83 HydrophobicContact CB-CG 4.4Å; T79-W83 VanDerWaalsContact O-CB 3.26Å; T79-W83 WeakPolarHBondContact O-CB 3.49Å; T79-W83 PolarHBondContact O-N 2.91Å; L80-W83 PolarHBondContact O-N 3.33Å; W83-H85 PolarHBondContact O-N 2.65Å; W83-T86 HydrophobicContact CE3-CG2 4.22Å; W83-T86 HydrophobicContact CH2-CG2 4.39Å; W83-T86 HydrophobicContact CZ3-CG2 4.09Å; W83-T86 WeakPolarHBondContact O-CA 3.34Å; W83-T86 WeakPolarHBondContact O-CB 3.43Å; W83-T86 PolarHBondContact O-N 2.86Å; W83-E87 VanDerWaalsContact CD1-CD 3.48Å; W83-E87 PolarHBondContact NE1-OE1 2.81Å; W83-E87 PolarHBondContact O-N 3.2Å; W83-L94 HydrophobicContact CE3-CB 4.08Å; W83-L94 HydrophobicContact CE3-CD1 4.33Å; W83-L94 HydrophobicContact CZ3-CB 3.98Å
84I96.2Very high96.2Very high25 Ų2564.2 Ų64.213%0.12831%0.305CS..Hα-helixtrans-51.2-43.8172-65167.7000110.1A13 Q14 L17 L80 A82 E87 D88A13-I84 HydrophobicContact CB-CG1 3.96Å; Q14-I84 HydrophobicContact CB-CD1 4.24Å; Q14-I84 HydrophobicContact CB-CG1 4.42Å; L17-I84 HydrophobicContact CD2-CD1 3.96Å; L80-I84 PolarHBondContact O-N 3.08Å; A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 PolarHBondContact O-N 2.87Å; I84-E87 PolarHBondContact O-N 3.48Å; I84-D88 WeakPolarHBondContact O-CB 3.24Å; I84-D88 PolarHBondContact O-N 3.35Å
85H94.9Very high96.1Very high13 Ų1365.2 Ų65.26%0.0631%0.311CS..Hα-helixtrans-70.8-34177.9-69.2-46.4000114A82 W83 E87 D88 N89 D98 M101A82-H85 WeakPolarHBondContact O-CB 3.37Å; A82-H85 PolarHBondContact O-N 2.9Å; W83-H85 PolarHBondContact O-N 2.65Å; H85-E87 VanDerWaalsContact C-N 3.33Å; H85-D88 IonicContact ND1-OD2 3.32Å; H85-N89 WeakPolarHBondContact O-CB 3.48Å; H85-N89 PolarHBondContact O-N 3.29Å; H85-N89 VanDerWaalsContact O-N 3.13Å; H85-N89 PolarHBondContact O-ND2 3.36Å; H85-D98 HydrophobicContact CB-CB 4.11Å; H85-M101 HydrophobicContact CB-CE 3.34Å
86T95.9Very high96Very high0 Ų066.4 Ų66.40%031%0.309CS..Hα-helixtrans-60.5-45.1172.4-54.20000110.8A82 W83 N89 K90 R91 T93 L94 D98A82-T86 PolarHBondContact O-N 3.44Å; W83-T86 HydrophobicContact CE3-CG2 4.22Å; W83-T86 HydrophobicContact CH2-CG2 4.39Å; W83-T86 HydrophobicContact CZ3-CG2 4.09Å; W83-T86 WeakPolarHBondContact O-CA 3.34Å; W83-T86 WeakPolarHBondContact O-CB 3.43Å; W83-T86 PolarHBondContact O-N 2.86Å; T86-N89 PolarHBondContact O-N 3.02Å; T86-K90 PolarHBondContact O-N 3.46Å; T86-R91 HydrophobicContact CG2-CB 3.89Å; T86-R91 WeakPolarHBondContact CG2-O 3.48Å; T86-R91 PolarHBondContact O-N 3.32Å; T86-T93 WeakPolarHBondContact CG2-O 3.45Å; T86-L94 VanDerWaalsContact OG1-CD1 3.26Å; T86-L94 WeakPolarHBondContact OG1-CD1 3.5Å; T86-D98 VanDerWaalsContact OG1-CG 3.28Å; T86-D98 PolarHBondContact OG1-OD2 3.2Å
87E94.9Very high95.9Very high53 Ų5367 Ų6725%0.24831%0.31CS..Hα-helixtrans-70.6-38.7178.8-68.6-173.1154.400113.3C11 W83 I84 H85 N89 K90C11-E87 WeakPolarHBondContact CB-OE2 3.45Å; C11-E87 PolarHBondContact SG-OE2 3.49Å; W83-E87 VanDerWaalsContact CD1-CD 3.48Å; W83-E87 PolarHBondContact NE1-OE1 2.81Å; W83-E87 PolarHBondContact O-N 3.2Å; I84-E87 PolarHBondContact O-N 3.48Å; H85-E87 VanDerWaalsContact C-N 3.33Å; E87-N89 VanDerWaalsContact C-N 3.26Å; E87-N89 PolarHBondContact O-N 3.2Å; E87-K90 WeakPolarHBondContact O-CA 3.2Å; E87-K90 PolarHBondContact O-N 3.08Å; E87-K90 PolarHBondContact O-NZ 3.48Å; E87-K90 VanDerWaalsContact O-NZ 3.07Å
88D93Very high95.8Very high87 Ų8766.8 Ų66.847%0.46531%0.309SS..Hα-helixtrans-55.8-45.5173.7-76.9-18.8000110.5I84 H85 K90I84-D88 WeakPolarHBondContact O-CB 3.24Å; I84-D88 PolarHBondContact O-N 3.35Å; H85-D88 IonicContact ND1-OD2 3.32Å; D88-K90 PolarHBondContact O-N 3.29Å; D88-K90 PolarHBondContact O-NZ 3.05Å
89N93.7Very high95.8Very high86 Ų8668.2 Ų68.246%0.4632%0.316SS..THydrogen-bonded Turntrans-76.56.2176.3-72.7-73.8000114.2H85 T86 E87 R91H85-N89 WeakPolarHBondContact O-CB 3.48Å; H85-N89 PolarHBondContact O-N 3.29Å; H85-N89 VanDerWaalsContact O-N 3.13Å; H85-N89 PolarHBondContact O-ND2 3.36Å; T86-N89 PolarHBondContact O-N 3.02Å; E87-N89 VanDerWaalsContact C-N 3.26Å; E87-N89 PolarHBondContact O-N 3.2Å; N89-R91 HydrophobicContact CB-CG 4.49Å; N89-R91 PolarHBondContact O-N 3.29Å
90K95.1Very high95.7Very high172 Ų17265.6 Ų65.675%0.74830%0.301SS*.THydrogen-bonded Turntrans58.328.7179-51.9-69.9163.2-79.50113.1T86 E87 D88T86-K90 PolarHBondContact O-N 3.46Å; E87-K90 WeakPolarHBondContact O-CA 3.2Å; E87-K90 PolarHBondContact O-N 3.08Å; E87-K90 PolarHBondContact O-NZ 3.48Å; E87-K90 VanDerWaalsContact O-NZ 3.07Å; D88-K90 PolarHBondContact O-N 3.29Å; D88-K90 PolarHBondContact O-NZ 3.05Å
91R95.6Very high95.6Very high65 Ų6566 Ų6625%0.24530%0.302CS..  trans-98.7159.2175.2-71.2-174.2-76.3103.6-2110.2T86 N89 T93 Q95 D98T86-R91 HydrophobicContact CG2-CB 3.89Å; T86-R91 WeakPolarHBondContact CG2-O 3.48Å; T86-R91 PolarHBondContact O-N 3.32Å; N89-R91 HydrophobicContact CB-CG 4.49Å; N89-R91 PolarHBondContact O-N 3.29Å; R91-T93 PolarHBondContact NH1-O 2.89Å; R91-Q95 VanDerWaalsContact CZ-OE1 3.26Å; R91-D98 IonicContact CZ-OD1 3.04Å; R91-D98 IonicContact CZ-OD2 3.86Å; R91-D98 IonicContact NH1-OD1 2.73Å; R91-D98 IonicContact NH1-OD2 2.64Å; R91-D98 PolarHBondContact NH1-OD2 3.32Å; R91-D98 IonicContact NH2-OD1 2.76Å; R91-D98 PolarHBondContact NH2-OD1 3.27Å; R91-D98 IonicContact NH2-OD2 3.71Å; R91-D98 PolarHBondContact NH2-OD2 3.34Å
92R95.7Very high95.5Very high229 Ų22964 Ų6486%0.86430%0.296SS*.SBendtrans-118.311.3171-65.4-175.9174.7-124.4-1.4112.4
93T97Very high95.5Very high99 Ų9964.1 Ų64.161%0.60730%0.296SS*.SBendtrans-123.3114.9179.7-52.50000107.3T86 R91T86-T93 WeakPolarHBondContact CG2-O 3.45Å; R91-T93 PolarHBondContact NH1-O 2.89Å
94L97.5Very high95.3Very high61 Ų6163.2 Ų63.232%0.31930%0.3SS..  trans-65.2131.4175.6-17765.4000109.4T79 A82 W83 T86 D98T79-L94 HydrophobicContact CG2-CD2 4.02Å; A82-L94 HydrophobicContact CB-CD1 3.8Å; W83-L94 HydrophobicContact CE3-CB 4.08Å; W83-L94 HydrophobicContact CE3-CD1 4.33Å; W83-L94 HydrophobicContact CZ3-CB 3.98Å; T86-L94 VanDerWaalsContact OG1-CD1 3.26Å; T86-L94 WeakPolarHBondContact OG1-CD1 3.5Å; L94-D98 HydrophobicContact CD1-CB 3.89Å
95Q95.9Very high95.1Very high86 Ų8669.6 Ų69.640%0.40233%0.326SS..  trans-119.7160.8-179.2-69.6-177.3-30.300111.6R91 N97 D98R91-Q95 VanDerWaalsContact CZ-OE1 3.26Å; Q95-N97 PolarHBondContact O-N 3.34Å; Q95-D98 PolarHBondContact N-OD2 2.99Å; Q95-D98 WeakPolarHBondContact O-CB 3.11Å; Q95-D98 PolarHBondContact O-N 3.09Å
96R94.9Very high95Very high113 Ų11371.3 Ų71.343%0.42633%0.334SS..Hα-helixtrans-54-38.6174.6-171-177.6-173.1-72.6-19.1112.7D98 I99 A100 P117R96-D98 VanDerWaalsContact C-N 3.28Å; R96-D98 PolarHBondContact O-N 3.46Å; R96-I99 WeakPolarHBondContact O-CB 3.38Å; R96-I99 PolarHBondContact O-N 3.07Å; R96-A100 PolarHBondContact O-N 3.07Å; R96-A100 VanDerWaalsContact O-N 3.1Å; R96-P117 PolarHBondContact NH1-O 3.22Å; R96-P117 VanDerWaalsContact NH1-O 3.09Å
97N94.6Very high94.8Very high74 Ų7477.1 Ų77.140%0.39637%0.365SS..Hα-helixtrans-63.7-32.6179.2-67.3-19.2000112.8Q95 I99 A100 M101Q95-N97 PolarHBondContact O-N 3.34Å; N97-I99 VanDerWaalsContact C-N 3.33Å; N97-A100 PolarHBondContact O-N 3.32Å; N97-M101 WeakPolarHBondContact O-CG 3.47Å; N97-M101 PolarHBondContact O-N 3.26Å
98D95.4Very high94.8Very high0 Ų080 Ų800%038%0.378CS..Hα-helixtrans-66.3-39.3177.7-61.3-39.1000111.1A82 H85 T86 R91 L94 Q95 R96 M101 A102A82-D98 HydrophobicContact CB-CB 4.24Å; A82-D98 WeakPolarHBondContact O-CB 3.36Å; H85-D98 HydrophobicContact CB-CB 4.11Å; T86-D98 VanDerWaalsContact OG1-CG 3.28Å; T86-D98 PolarHBondContact OG1-OD2 3.2Å; R91-D98 IonicContact CZ-OD1 3.04Å; R91-D98 IonicContact CZ-OD2 3.86Å; R91-D98 IonicContact NH1-OD1 2.73Å; R91-D98 IonicContact NH1-OD2 2.64Å; R91-D98 PolarHBondContact NH1-OD2 3.32Å; R91-D98 IonicContact NH2-OD1 2.76Å; R91-D98 PolarHBondContact NH2-OD1 3.27Å; R91-D98 IonicContact NH2-OD2 3.71Å; R91-D98 PolarHBondContact NH2-OD2 3.34Å; L94-D98 HydrophobicContact CD1-CB 3.89Å; Q95-D98 PolarHBondContact N-OD2 2.99Å; Q95-D98 WeakPolarHBondContact O-CB 3.11Å; Q95-D98 PolarHBondContact O-N 3.09Å; R96-D98 VanDerWaalsContact C-N 3.28Å; R96-D98 PolarHBondContact O-N 3.46Å; D98-M101 PolarHBondContact O-N 2.96Å; D98-A102 WeakPolarHBondContact O-CB 3.46Å; D98-A102 PolarHBondContact O-N 3.49Å
99I96.4Very high95Very high51 Ų5175.9 Ų75.926%0.26236%0.356SS..Hα-helixtrans-65.1-45.3174.9-58.2172.9000110L78 A82 R96 N97 M101 A102 I103L78-I99 HydrophobicContact CD1-CG2 4.31Å; L78-I99 HydrophobicContact CD2-CG2 4.28Å; L78-I99 HydrophobicContact CG-CG2 4.44Å; A82-I99 HydrophobicContact CB-CB 4.48Å; A82-I99 HydrophobicContact CB-CG1 3.91Å; R96-I99 WeakPolarHBondContact O-CB 3.38Å; R96-I99 PolarHBondContact O-N 3.07Å; N97-I99 VanDerWaalsContact C-N 3.33Å; I99-M101 VanDerWaalsContact C-N 3.3Å; I99-M101 PolarHBondContact O-N 3.25Å; I99-A102 PolarHBondContact O-N 3.32Å; I99-I103 HydrophobicContact CG2-CD1 3.87Å; I99-I103 HydrophobicContact CG2-CG1 4.44Å; I99-I103 VanDerWaalsContact O-CG1 3.31Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 3.46Å
100A95.8Very high95Very high4 Ų475.4 Ų75.43%0.03335%0.354CS..Hα-helixtrans-60.1-39.7177.400000112.4R96 N97 T104 V116R96-A100 PolarHBondContact O-N 3.07Å; R96-A100 VanDerWaalsContact O-N 3.1Å; N97-A100 PolarHBondContact O-N 3.32Å; A100-T104 WeakPolarHBondContact O-CB 3.46Å; A100-T104 PolarHBondContact O-N 2.94Å; A100-T104 PolarHBondContact O-OG1 3.04Å; A100-V116 HydrophobicContact CB-CG1 3.97Å
101M94.5Very high95.1Very high42 Ų4273.6 Ų73.621%0.20735%0.346CS..Hα-helixtrans-67.2-41.9174.5-69.9-157.6-59.400112.5H85 N97 D98 I99 I103 T104 K105 L121H85-M101 HydrophobicContact CB-CE 3.34Å; N97-M101 WeakPolarHBondContact O-CG 3.47Å; N97-M101 PolarHBondContact O-N 3.26Å; D98-M101 PolarHBondContact O-N 2.96Å; I99-M101 VanDerWaalsContact C-N 3.3Å; I99-M101 PolarHBondContact O-N 3.25Å; M101-I103 PolarHBondContact O-N 3.45Å; M101-T104 WeakPolarHBondContact O-CB 3.36Å; M101-T104 PolarHBondContact O-N 2.88Å; M101-K105 PolarHBondContact O-N 2.64Å; M101-L121 HydrophobicContact CG-CD1 3.91Å; M101-L121 HydrophobicContact CG-CD2 4.08Å; M101-L121 HydrophobicContact SD-CD2 4.4Å
102A95.3Very high95.1Very high4 Ų471.5 Ų71.53%0.03334%0.34CS..Hα-helixtrans-61.5-43.8177.200000112.1R81 A82 D98 I99 T104 K105 F106R81-A102 HydrophobicContact CB-CB 3.99Å; A82-A102 HydrophobicContact CB-CB 4.13Å; D98-A102 WeakPolarHBondContact O-CB 3.46Å; D98-A102 PolarHBondContact O-N 3.49Å; I99-A102 PolarHBondContact O-N 3.32Å; A102-T104 VanDerWaalsContact C-N 3.31Å; A102-T104 PolarHBondContact O-N 3.5Å; A102-K105 PolarHBondContact O-N 2.74Å; A102-F106 PolarHBondContact O-N 3.28Å
103I95.8Very high94.9Very high3 Ų364.1 Ų64.12%0.01532%0.317CS..Hα-helixtrans-60.5-42.6174.2-66.8168.1000110.5L78 I99 M101 K105 F106 F109 L112 V116L78-I103 HydrophobicContact CD1-CG1 4.13Å; I99-I103 HydrophobicContact CG2-CD1 3.87Å; I99-I103 HydrophobicContact CG2-CG1 4.44Å; I99-I103 VanDerWaalsContact O-CG1 3.31Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 3.46Å; M101-I103 PolarHBondContact O-N 3.45Å; I103-K105 VanDerWaalsContact C-N 3.29Å; I103-K105 PolarHBondContact O-N 3.38Å; I103-F106 PolarHBondContact O-N 3.27Å; I103-F109 HydrophobicContact CB-CB 4.32Å; I103-F109 HydrophobicContact CG1-CB 4.14Å; I103-F109 HydrophobicContact CG2-CB 4.11Å; I103-L112 HydrophobicContact CD1-CB 3.85Å; I103-L112 HydrophobicContact CD1-CD1 3.83Å; I103-L112 HydrophobicContact CG1-CB 4.46Å; I103-L112 HydrophobicContact CG1-CD1 4.03Å; I103-L112 HydrophobicContact CG2-CB 4.31Å; I103-V116 HydrophobicContact CD1-CB 3.94Å; I103-V116 HydrophobicContact CD1-CG1 4.29Å; I103-V116 HydrophobicContact CD1-CG2 3.76Å
104T93.1Very high94.7Very high61 Ų6166.3 Ų66.337%0.37432%0.324SS..Hα-helixtrans-63.8-32.8179.3-60.80000113.3A100 M101 A102 R118A100-T104 WeakPolarHBondContact O-CB 3.46Å; A100-T104 PolarHBondContact O-N 2.94Å; A100-T104 PolarHBondContact O-OG1 3.04Å; M101-T104 WeakPolarHBondContact O-CB 3.36Å; M101-T104 PolarHBondContact O-N 2.88Å; A102-T104 VanDerWaalsContact C-N 3.31Å; A102-T104 PolarHBondContact O-N 3.5Å; T104-R118 VanDerWaalsContact CG2-NH1 3.29Å; T104-R118 VanDerWaalsContact OG1-CZ 3.27Å; T104-R118 PolarHBondContact OG1-NE 3.07Å; T104-R118 PolarHBondContact OG1-NH1 3.21Å
105K91.7Very high94.5Very high159 Ų15969.2 Ų69.269%0.69134%0.339SS*.Hα-helixtrans-86.9-12.2-177.3-72.7-160.5179.3-170.20114.2M101 A102 I103M101-K105 PolarHBondContact O-N 2.64Å; A102-K105 PolarHBondContact O-N 2.74Å; I103-K105 VanDerWaalsContact C-N 3.29Å; I103-K105 PolarHBondContact O-N 3.38Å
106F92.5Very high94.3Very high48 Ų4866.2 Ų66.221%0.21133%0.326CS..  trans-131.6106.1-175.8-165.5-125.8000110.9R81 A102 I103 Q108 F109R81-F106 VanDerWaalsContact CZ-CE1 3.44Å; R81-F106 VanDerWaalsContact NH2-CE1 3.26Å; A102-F106 PolarHBondContact O-N 3.28Å; I103-F106 PolarHBondContact O-N 3.27Å; F106-Q108 VanDerWaalsContact C-N 3.26Å; F106-Q108 HydrophobicContact CD1-CB 3.78Å; F106-Q108 HydrophobicContact CE1-CB 3.42Å; F106-Q108 VanDerWaalsContact CE1-CB 3.42Å; F106-Q108 HydrophobicContact CE1-CG 4.15Å; F106-Q108 HydrophobicContact CZ-CB 3.87Å; F106-Q108 PolarHBondContact O-N 2.78Å; F106-F109 HydrophobicContact CB-CD2 4.06Å; F106-F109 HydrophobicContact CB-CE2 4.43Å; F106-F109 HydrophobicContact CD1-CD1 4.24Å; F106-F109 AromaticContact CD1-CD2 3.76Å; F106-F109 HydrophobicContact CD1-CD2 3.76Å; F106-F109 HydrophobicContact CD1-CE1 4.12Å; F106-F109 AromaticContact CD1-CE2 3.66Å; F106-F109 HydrophobicContact CD1-CE2 3.66Å; F106-F109 HydrophobicContact CD1-CG 4.06Å; F106-F109 AromaticContact CD1-CZ 3.84Å; F106-F109 HydrophobicContact CD1-CZ 3.84Å; F106-F109 HydrophobicContact CE1-CE1 4.35Å; F106-F109 HydrophobicContact CE1-CE2 4.47Å; F106-F109 HydrophobicContact CE1-CZ 4.22Å; F106-F109 HydrophobicContact CG-CD2 4.42Å; F106-F109 WeakPolarHBondContact O-CB 3.27Å; F106-F109 PolarHBondContact O-N 3Å
107D93.1Very high93.7Very high123 Ų12364.4 Ų64.466%0.65833%0.33SS*.G310 helixtrans-56.2-31.5-175.660.1-11.5000114.4F109 D110D107-F109 PolarHBondContact O-N 3.45Å; D107-D110 VanDerWaalsContact O-CB 3.31Å; D107-D110 WeakPolarHBondContact O-CB 3.41Å; D107-D110 PolarHBondContact O-N 3.18Å
108Q94.9Very high92.7Very high112 Ų11265.5 Ų65.552%0.52333%0.328SS..G310 helixtrans-57.2-22.4174-171.4178.282.600112.8F106 F111F106-Q108 VanDerWaalsContact C-N 3.26Å; F106-Q108 HydrophobicContact CD1-CB 3.78Å; F106-Q108 HydrophobicContact CE1-CB 3.42Å; F106-Q108 VanDerWaalsContact CE1-CB 3.42Å; F106-Q108 HydrophobicContact CE1-CG 4.15Å; F106-Q108 HydrophobicContact CZ-CB 3.87Å; F106-Q108 PolarHBondContact O-N 2.78Å; Q108-F111 WeakPolarHBondContact O-CD1 3.1Å
109F96.1Very high91.4Very high2 Ų270.4 Ų70.41%0.00935%0.354CS..G310 helixtrans-94.17.3177.7-60.4-28.5000114.1F74 E77 L78 R81 I103 F106 D107 F111 L112F74-F109 HydrophobicContact CD2-CE1 4.16Å; F74-F109 HydrophobicContact CE2-CD1 4.02Å; F74-F109 AromaticContact CE2-CE1 3.87Å; F74-F109 HydrophobicContact CE2-CE1 3.87Å; E77-F109 HydrophobicContact CG-CZ 4.47Å; L78-F109 HydrophobicContact CB-CE2 4.48Å; L78-F109 HydrophobicContact CB-CZ 4.33Å; L78-F109 HydrophobicContact CD1-CD2 3.83Å; L78-F109 HydrophobicContact CD1-CE2 3.64Å; L78-F109 HydrophobicContact CD1-CZ 4.25Å; R81-F109 VanDerWaalsContact CD-CE2 3.42Å; I103-F109 HydrophobicContact CB-CB 4.32Å; I103-F109 HydrophobicContact CG1-CB 4.14Å; I103-F109 HydrophobicContact CG2-CB 4.11Å; F106-F109 HydrophobicContact CB-CD2 4.06Å; F106-F109 HydrophobicContact CB-CE2 4.43Å; F106-F109 HydrophobicContact CD1-CD1 4.24Å; F106-F109 AromaticContact CD1-CD2 3.76Å; F106-F109 HydrophobicContact CD1-CD2 3.76Å; F106-F109 HydrophobicContact CD1-CE1 4.12Å; F106-F109 AromaticContact CD1-CE2 3.66Å; F106-F109 HydrophobicContact CD1-CE2 3.66Å; F106-F109 HydrophobicContact CD1-CG 4.06Å; F106-F109 AromaticContact CD1-CZ 3.84Å; F106-F109 HydrophobicContact CD1-CZ 3.84Å; F106-F109 HydrophobicContact CE1-CE1 4.35Å; F106-F109 HydrophobicContact CE1-CE2 4.47Å; F106-F109 HydrophobicContact CE1-CZ 4.22Å; F106-F109 HydrophobicContact CG-CD2 4.42Å; F106-F109 WeakPolarHBondContact O-CB 3.27Å; F106-F109 PolarHBondContact O-N 3Å; D107-F109 PolarHBondContact O-N 3.45Å; F109-F111 HydrophobicContact CD1-CE1 4.36Å; F109-F111 PolarHBondContact O-N 3.12Å; F109-F111 VanDerWaalsContact O-N 3.08Å; F109-L112 HydrophobicContact CB-CD1 4.18Å; F109-L112 WeakPolarHBondContact O-CB 3.39Å; F109-L112 PolarHBondContact O-N 3.47Å
110D94.3Very high89.5Confident76 Ų7675.8 Ų75.841%0.40638%0.384SS..G310 helixtrans-62.6-18.5-179.5-84.1-16.2000113.5D107 L112 I113 R118D107-D110 VanDerWaalsContact O-CB 3.31Å; D107-D110 WeakPolarHBondContact O-CB 3.41Å; D107-D110 PolarHBondContact O-N 3.18Å; D110-L112 PolarHBondContact O-N 3.37Å; D110-I113 WeakPolarHBondContact O-CG1 3.44Å; D110-I113 WeakPolarHBondContact O-CG2 3.5Å; D110-I113 PolarHBondContact O-N 2.95Å; D110-R118 IonicContact OD1-NH2 3.51Å
111F96.4Very high87.7Confident134 Ų13479.5 Ų79.559%0.58840%0.402SS*.G310 helixtrans-63-10170.979-85.7000113.9F74 Q108 F109F74-F111 HydrophobicContact CE2-CE1 4.05Å; F74-F111 AromaticContact CE2-CZ 3.63Å; F74-F111 HydrophobicContact CE2-CZ 3.63Å; F74-F111 AromaticContact CZ-CZ 3.79Å; F74-F111 HydrophobicContact CZ-CZ 3.79Å; Q108-F111 WeakPolarHBondContact O-CD1 3.1Å; F109-F111 HydrophobicContact CD1-CE1 4.36Å; F109-F111 PolarHBondContact O-N 3.12Å; F109-F111 VanDerWaalsContact O-N 3.08Å
112L96.3Very high85.5Confident21 Ų2186 Ų8611%0.1143%0.429CS..G310 helixtrans-99.8-1.1-179.4-60.5170.3000114.2F74 L78 I103 F109 D110 D114 I115 V116F74-L112 HydrophobicContact CE2-CD1 4.29Å; F74-L112 HydrophobicContact CZ-CD1 3.81Å; L78-L112 HydrophobicContact CD2-CD1 4.44Å; I103-L112 HydrophobicContact CD1-CB 3.85Å; I103-L112 HydrophobicContact CD1-CD1 3.83Å; I103-L112 HydrophobicContact CG1-CB 4.46Å; I103-L112 HydrophobicContact CG1-CD1 4.03Å; I103-L112 HydrophobicContact CG2-CB 4.31Å; F109-L112 HydrophobicContact CB-CD1 4.18Å; F109-L112 WeakPolarHBondContact O-CB 3.39Å; F109-L112 PolarHBondContact O-N 3.47Å; D110-L112 PolarHBondContact O-N 3.37Å; L112-D114 PolarHBondContact O-N 3.07Å; L112-I115 PolarHBondContact O-N 2.99Å; L112-V116 PolarHBondContact O-N 3.27Å
113I90.9Very high83.4Confident74 Ų7490.8 Ų90.838%0.37946%0.46SS..THydrogen-bonded Turntrans-57.3-37.6-17560.7-176.2000113.2D110 I115 R118D110-I113 WeakPolarHBondContact O-CG1 3.44Å; D110-I113 WeakPolarHBondContact O-CG2 3.5Å; D110-I113 PolarHBondContact O-N 2.95Å; I113-I115 VanDerWaalsContact C-N 3.3Å; I113-R118 VanDerWaalsContact CG2-NH2 3.31Å
114D92.9Very high81.3Confident144 Ų14496.6 Ų96.677%0.7750%0.498SS*.THydrogen-bonded Turntrans-80.4-15.3-179.3-60.8-39.3000112.5L112L112-D114 PolarHBondContact O-N 3.07Å
115I94.4Very high78.8Confident123 Ų123102.6 Ų102.663%0.63152%0.519SS*.THydrogen-bonded Turntrans-93.3-36.9-177.8-52.7-56.6000111.2L112 I113 P117L112-I115 PolarHBondContact O-N 2.99Å; I113-I115 VanDerWaalsContact C-N 3.3Å; I115-P117 WeakPolarHBondContact O-CD 3.44Å
116V91.7Very high76.7Confident22 Ų22105.8 Ų105.813%0.13353%0.527CS..SBendtrans-113.892.2-179.8-174.40000108.4A100 I103 L112 R118A100-V116 HydrophobicContact CB-CG1 3.97Å; I103-V116 HydrophobicContact CD1-CB 3.94Å; I103-V116 HydrophobicContact CD1-CG1 4.29Å; I103-V116 HydrophobicContact CD1-CG2 3.76Å; L112-V116 PolarHBondContact O-N 3.27Å; V116-R118 PolarHBondContact O-N 2.97Å
117P82.1Confident74.5Confident76 Ų76112.8 Ų112.849%0.49456%0.56SS.*  trans-57129.4176.9-28.237.4000109.6R96 I115 D119R96-P117 PolarHBondContact NH1-O 3.22Å; R96-P117 VanDerWaalsContact NH1-O 3.09Å; I115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-D119 PolarHBondContact O-N 3.25Å
118R73Confident72.1Confident96 Ų96115.4 Ų115.436%0.36257%0.568SS.*  trans-78.594172.2-57.3-175.8-175.3-158.33.1104.9T104 D110 I113 V116 D120T104-R118 VanDerWaalsContact CG2-NH1 3.29Å; T104-R118 VanDerWaalsContact OG1-CZ 3.27Å; T104-R118 PolarHBondContact OG1-NE 3.07Å; T104-R118 PolarHBondContact OG1-NH1 3.21Å; D110-R118 IonicContact OD1-NH2 3.51Å; I113-R118 VanDerWaalsContact CG2-NH2 3.31Å; V116-R118 PolarHBondContact O-N 2.97Å; R118-D120 PolarHBondContact O-N 2.89Å; R118-D120 VanDerWaalsContact O-N 3.13Å
119D67.6Low69.8Low103 Ų103118.6 Ų118.655%0.55158%0.584SS**  trans-49124.9162.4-73.4-48.5000105.9P117 L121P117-D119 PolarHBondContact O-N 3.25Å; D119-L121 PolarHBondContact O-N 3.34Å
120D57.3Low67.5Low164 Ų164126.3 Ų126.388%0.87762%0.622SS**  trans-42.591.8-171.5-78.4-73.3000110.2R118 K122R118-D120 PolarHBondContact O-N 2.89Å; R118-D120 VanDerWaalsContact O-N 3.13Å; D120-K122 PolarHBondContact O-N 3.25Å
121L57Low64.8Low82 Ų82134 Ų13443%0.42965%0.645SS.*  trans-71.683.9177.1-80.8166.3000102.6M101 D119 P123M101-L121 HydrophobicContact CG-CD1 3.91Å; M101-L121 HydrophobicContact CG-CD2 4.08Å; M101-L121 HydrophobicContact SD-CD2 4.4Å; D119-L121 PolarHBondContact O-N 3.34Å; L121-P123 WeakPolarHBondContact O-CD 3.35Å
122K49.1Very low62.4Low178 Ų178136.4 Ų136.477%0.77466%0.658SS**  trans-44114.2-179.8-160.3167.2-169.9165.60105.1D120D120-K122 PolarHBondContact O-N 3.25Å
123P50.7Low59.7Low105 Ų105140.5 Ų140.568%0.68269%0.689SS**  trans-52134.1-169.114.8-28.4000107.5L121 K125L121-P123 WeakPolarHBondContact O-CD 3.35Å; P123-K125 PolarHBondContact O-N 3.43Å
124P51.4Low57.5Low125 Ų125143.8 Ų143.881%0.81271%0.712SS**  trans-54.1113.6-177.921.1-30.5000106.3R126P124-R126 PolarHBondContact O-N 3.19Å
125K42.2Very low55.1Low187 Ų187141 Ų14181%0.81371%0.709SS**  trans-55.4111.1173-76.5-173.2175.1-175.50104.8P123 Q127P123-K125 PolarHBondContact O-N 3.43Å; K125-Q127 PolarHBondContact O-N 3.26Å
126R46.1Very low52.7Low227 Ų227141.3 Ų141.386%0.85772%0.719SS**  trans-46114.6168.3-121.9-179.6-89.2124.2-7.5105.7P124 E128P124-R126 PolarHBondContact O-N 3.19Å; R126-E128 PolarHBondContact O-N 3.08Å
127Q46.6Very low50.5Low195 Ų195144.4 Ų144.491%0.91175%0.747SS**  trans-71.386.9177-166.9168.713.600106K125K125-Q127 PolarHBondContact O-N 3.26Å
128E44.2Very low48.6Very low177 Ų177147 Ų14783%0.82775%0.752SS**  trans-75.9122.3171.8-158.9163.616600107.1R126 M130R126-E128 PolarHBondContact O-N 3.08Å; E128-M130 PolarHBondContact O-N 3.19Å
129E45.5Very low47.6Very low180 Ų180147.2 Ų147.284%0.84177%0.766SS**  trans-48.3132.1-177.8-79.2174.389.300112.7R131E129-R131 PolarHBondContact O-N 3.18Å
130M48.1Very low46.8Very low164 Ų164146.5 Ų146.581%0.80877%0.765SS**  trans32.682.7140-159.7161.8-168.700116.4E128E128-M130 PolarHBondContact O-N 3.19Å
131R38.2Very low46.4Very low237 Ų237146.1 Ų146.189%0.89476%0.758SS**  trans-122.1102.5144.2-74.2-168.1172.5-157.5-1.2109.5E129 S133E129-R131 PolarHBondContact O-N 3.18Å; R131-S133 PolarHBondContact O-N 3.35Å
132Q45.9Very low46.1Very low184 Ų184151 Ų15186%0.8677%0.772SS**  trans-49.1114.4157.1-103168.2-9.500108.9
133S39.1Very low46.4Very low108 Ų108151.7 Ų151.776%0.75577%0.771SS**  trans-147124.7155.356.70000108.7R131R131-S133 PolarHBondContact O-N 3.35Å
134V44.1Very low46.5Very low143 Ų143153.8 Ų153.887%0.86777%0.77SS**  trans-52.2142.2-175-177.60000111.8
135A43.4Very low46.7Very low86 Ų86153 Ų15371%0.71176%0.763SS**  trans-56.4163.6175.300000113.3
136P43.1Very low46.9Very low129 Ų129150 Ų15084%0.83876%0.755SS**  -128.1152.3127.126.4-10.4000113.3
137A45.6Very low47.1Very low87 Ų87143.1 Ų143.172%0.71975%0.747SS**  trans-69.6154.1-175.700000113.8
138E43.2Very low47.2Very low130 Ų130140.7 Ų140.761%0.60774%0.735SS**  trans-153.6108.1161.1-101.9-61.4144.600111.1V140E138-V140 WeakPolarHBondContact OE1-CG2 3.41Å; E138-V140 WeakPolarHBondContact OE2-CA 3.43Å; E138-V140 WeakPolarHBondContact OE2-CB 3.36Å; E138-V140 WeakPolarHBondContact OE2-CG2 3.44Å; E138-V140 PolarHBondContact OE2-N 3.14Å
139P50.7Low47.2Very low101 Ų101140.9 Ų140.966%0.65674%0.736SS**  trans-122.739.814736.8-27.9000112.1
140V51.4Low47Very low88 Ų88138.2 Ų138.253%0.53374%0.735SS.*Hα-helixtrans-87.9-22-174.8-169.40000112.4E138 Y142 Y143 F144E138-V140 WeakPolarHBondContact OE1-CG2 3.41Å; E138-V140 WeakPolarHBondContact OE2-CA 3.43Å; E138-V140 WeakPolarHBondContact OE2-CB 3.36Å; E138-V140 WeakPolarHBondContact OE2-CG2 3.44Å; E138-V140 PolarHBondContact OE2-N 3.14Å; V140-Y142 VanDerWaalsContact C-N 3.33Å; V140-Y142 PolarHBondContact O-N 3.1Å; V140-Y143 PolarHBondContact O-N 3.38Å; V140-F144 PolarHBondContact O-N 2.69Å
141Q48.2Very low46.4Very low155 Ų155134 Ų13472%0.72473%0.733SS**Hα-helixtrans-62.9-33.2178.9-120.493.217.500114.3T145Q141-T145 PolarHBondContact O-OG1 3.4Å
142Y52.3Low46.2Very low186 Ų186127.7 Ų127.773%0.72973%0.732SS**Hα-helixtrans-74.8-35.7-175.2-147-93.6000112.1V140 T145 L146V140-Y142 VanDerWaalsContact C-N 3.33Å; V140-Y142 PolarHBondContact O-N 3.1Å; Y142-T145 PolarHBondContact O-N 3.31Å; Y142-L146 HydrophobicContact CD1-CD1 3.98Å; Y142-L146 HydrophobicContact CE1-CD1 4.12Å; Y142-L146 VanDerWaalsContact O-CD1 3.25Å; Y142-L146 WeakPolarHBondContact O-CD1 3.41Å
143Y55.3Low45.5Very low191 Ų191125 Ų12575%0.74973%0.727SS**Hα-helixtrans-71.5-32.4178.4-84.4-91.6000112.9V140 T145 L146V140-Y143 PolarHBondContact O-N 3.38Å; Y143-T145 PolarHBondContact O-N 2.63Å; Y143-L146 PolarHBondContact O-N 2.97Å
144F51.9Low45.3Very low149 Ų149129.2 Ų129.265%0.65474%0.735SS**Hα-helixtrans-67.4-26.4177.6-161.3-96.8000112.8V140V140-F144 PolarHBondContact O-N 2.69Å
145T55.8Low44.7Very low108 Ų108128.7 Ų128.766%0.66373%0.732SS**Hα-helixtrans-79.1-29.3-179.7-54.30000112.2Q141 Y142 Y143 A147Q141-T145 PolarHBondContact O-OG1 3.4Å; Y142-T145 PolarHBondContact O-N 3.31Å; Y143-T145 PolarHBondContact O-N 2.63Å; T145-A147 VanDerWaalsContact C-N 3.32Å
146L46.3Very low44Very low126 Ų126133.9 Ų133.966%0.6674%0.741SS**Hα-helixtrans-75.3-19.6174.4-85.288.3000113.3Y142 Y143 Q148Y142-L146 HydrophobicContact CD1-CD1 3.98Å; Y142-L146 HydrophobicContact CE1-CD1 4.12Å; Y142-L146 VanDerWaalsContact O-CD1 3.25Å; Y142-L146 WeakPolarHBondContact O-CD1 3.41Å; Y143-L146 PolarHBondContact O-N 2.97Å; L146-Q148 VanDerWaalsContact C-N 3.31Å; L146-Q148 PolarHBondContact O-N 3.18Å
147A49.1Very low43.4Very low82 Ų82130.5 Ų130.568%0.67873%0.73SS**THydrogen-bonded Turntrans-81.8-1.3-175.600000114.8T145T145-A147 VanDerWaalsContact C-N 3.32Å
148Q48.8Very low42.5Very low144 Ų144132.7 Ų132.767%0.67374%0.735SS**THydrogen-bonded Turntrans-113.326-175.1-93.8-166.789.500115.5L146 P150L146-Q148 VanDerWaalsContact C-N 3.31Å; L146-Q148 PolarHBondContact O-N 3.18Å; Q148-P150 WeakPolarHBondContact O-CD 3.45Å
149Q44.6Very low41.9Very low181 Ų181134.3 Ų134.385%0.84674%0.742SS**  trans-96.5105.4163.6-81.7-157.75100111.4G151Q149-G151 PolarHBondContact O-N 3.2Å
150P41Very low40.9Very low124 Ų124137.9 Ų137.981%0.80575%0.75SS**  trans-76.2114.8163.328.4-28.2000109.4Q148Q148-P150 WeakPolarHBondContact O-CD 3.45Å
151G37Very low39.8Very low75 Ų75136.7 Ų136.777%0.77376%0.756SS**  trans-73.1135.7168.500000111.5Q149Q149-G151 PolarHBondContact O-N 3.2Å
152A33Very low38.9Very low105 Ų105138 Ų13887%0.86876%0.762SS**  trans-106.9102.1157.100000108
153V32.4Very low38Very low126 Ų126137.5 Ų137.576%0.76477%0.766SS**  trans-72.6121.9165.2175.30000107.4V155V153-V155 HydrophobicContact CG1-CG2 4.02Å
154Q33.5Very low36.7Very low197 Ų197133.3 Ų133.392%0.92177%0.771SS**  trans-124.6116.9153.7-89.7-166.2-25.200109.9
155V31.6Very low35.5Very low132 Ų132129.8 Ų129.880%0.878%0.776SS**  trans-84.2127.4174166.40000108.5V153V153-V155 HydrophobicContact CG1-CG2 4.02Å
156Q28.9Very low34.3Very low195 Ų195129.6 Ų129.691%0.91179%0.786SS**  trans-149.5117.1149.8-162.4157.327.600109.4
157G30.5Very low33.6Very low58 Ų58132.7 Ų132.760%0.59880%0.797SS**  trans-93.2162.3-176.100000113.8
158T27.3Very low32.6Very low134 Ų134135.6 Ų135.682%0.82281%0.807SS**  179.3132.1118.633.40000110.5
159Q31Very low31.6Very low164 Ų164133.2 Ų133.277%0.76681%0.811SS**  trans33.5139142.5-63.3-178.445.600119.4
160Q28.8Very low30.6Very low175 Ų175131 Ų13182%0.81881%0.81SS**  cis-177.3145.239.3-139170.552.500109.3
161G27.6Very low30Very low63 Ų63131 Ų13165%0.64981%0.808SS**  trans100.6110.3139.200000121.8
162Q30.9Very low29.5Very low182 Ų182134.8 Ų134.885%0.8581%0.809SS**  trans62.4143.1135.2-83.9162.4-15.300119.6
163Q31.6Very low29.2Very low177 Ų177138.7 Ų138.783%0.82781%0.809SS**  cis-163.1160.613.8-146.9166.76.500109.3
164A28.9Very low29.2Very low103 Ų103138.7 Ų138.785%0.85181%0.812SS**  trans-72.5158.1-178.100000115
165G27.2Very low29.1Very low74 Ų74132.8 Ų132.876%0.76380%0.804SS**  trans-179.288168.200000116.5
166A29.6Very low28.9Very low104 Ų104134.6 Ų134.686%0.8680%0.804SS**  trans52.6129.4140.100000123
167Q31.6Very low29Very low191 Ų191132.9 Ų132.989%0.89380%0.799SS**  trans-69.7138.9161.2-60.1166.3-23.700111.1
168T28.1Very low28.9Very low144 Ų144136 Ų13688%0.88380%0.801SS**  trans-141.7117.9148.441.90000109.4
169A27.5Very low28.9Very low93 Ų93136.6 Ų136.677%0.76980%0.798SS**  trans-80.9133.1163.500000108.8
170T25.3Very low28.7Very low134 Ų134134.4 Ų134.482%0.82280%0.796SS**  trans-170.9134.2133.15.40000113.7
171T27.2Very low28.7Very low125 Ų125134.7 Ų134.777%0.76780%0.797SS**  trans83.5113.5140.4-42.10000120.8
172I27.7Very low28.8Very low155 Ų155137.2 Ų137.280%0.79580%0.802SS**  trans-74.2130.5168-60.1-80000110.5
173Q26.9Very low28.9Very low186 Ų186137.8 Ų137.887%0.86980%0.804SS**  trans-145.3141.4142.1-79.4-161.435.600110.2
174P31.3Very low29Very low126 Ų126138.4 Ų138.482%0.81881%0.807SS**  trans-92.5144.6-168.335.3-32.3000113.4
175G30.5Very low29.1Very low73 Ų73137.1 Ų137.175%0.75380%0.804SS**  trans109.976.5150.400000117.7
176Q28.1Very low29.3Very low171 Ų171142.3 Ų142.380%0.79981%0.809SS**  trans-162.8115.5137.1-94.9-151.513.800109
177I31.7Very low29.2Very low158 Ų158145.7 Ų145.781%0.8181%0.809SS**  trans-96.9103.9165.3-63.8173.7000106.4I179I177-I179 HydrophobicContact CG2-CD1 4.22Å; I177-I179 HydrophobicContact CG2-CG1 3.8Å
178I28Very low29.2Very low125 Ų125143.7 Ų143.764%0.64180%0.804SS**  trans-83.6105.3162.8-62.3166000105.5T180I178-T180 HydrophobicContact CG2-CG2 4.06Å; I178-T180 PolarHBondContact O-N 3.01Å
179I28.2Very low29.2Very low146 Ų146145.7 Ų145.775%0.74980%0.803SS**  trans-82.599.2165.2-71.9157.9000106.9I177I177-I179 HydrophobicContact CG2-CD1 4.22Å; I177-I179 HydrophobicContact CG2-CG1 3.8Å
180T26.2Very low29.2Very low118 Ų118144.9 Ų144.972%0.72480%0.803SS**PPolyproline II helixtrans-75.9121.1157.6420000108.1I178I178-T180 HydrophobicContact CG2-CG2 4.06Å; I178-T180 PolarHBondContact O-N 3.01Å
181Q28Very low29.4Very low181 Ų181143.1 Ų143.185%0.84680%0.803SS**PPolyproline II helixtrans-83.1125.2174.5-173.6165.186.300109.5
182P30.7Very low29.5Very low115 Ų115143.7 Ų143.775%0.74781%0.806SS**PPolyproline II helixtrans-81.3134.417729.9-30.7000111.6
183Q32.5Very low29.5Very low194 Ų194144.4 Ų144.491%0.90781%0.808SS**PPolyproline II helixtrans-80.4130.9173-166.9176.930.200109.8
184Q33.9Very low29.7Very low190 Ų190145.2 Ų145.289%0.88881%0.812SS**  trans-129.5120.7163.6-78.5-173.8-300109.7
185G30.6Very low29.5Very low77 Ų77146.1 Ų146.179%0.79481%0.805SS**  trans-83.5-173.6162.400000110.9
186Q30.7Very low29.4Very low183 Ų183151.2 Ų151.286%0.85581%0.814SS**  cis-175.7141.52.6-171.2176.644.400105.8
187M29.1Very low29.4Very low174 Ų174149.7 Ų149.786%0.85781%0.807SS**  trans-170.6115135.140.9-155.1-69.900115
188L31.4Very low29.2Very low150 Ų150151.5 Ų151.579%0.78581%0.812SS**  trans34.7139.4145.7-67.1102.4000120.5
189Q27.8Very low29.2Very low185 Ų185151.1 Ų151.186%0.86482%0.816SS**  cis-172.4145.337-166.4151.257.600111.3
190G27.5Very low29.1Very low76 Ų76153.5 Ų153.578%0.78482%0.824SS**  trans139.5115.5159.100000116.4
191A29.8Very low29.1Very low97 Ų97154 Ų15480%0.80283%0.826SS**  trans-59.4158.4-174.700000114.8
192T29.7Very low29.2Very low137 Ų137154.2 Ų154.284%0.8483%0.827SS**  cis-159.2138.94843.80000113.6
193M26.2Very low29.1Very low171 Ų171154.2 Ų154.284%0.84283%0.83SS**  trans-4.2128.5154.3-75.6-93.6-126.100120.5
194Q30.8Very low29Very low203 Ų203154.5 Ų154.595%0.94983%0.831SS**  -164.3123.6111.7-110.2174.1-000112.4
195Q28.5Very low28.7Very low144 Ų144149.2 Ų149.267%0.67383%0.827SS**  trans-102.3134.6-179.7171.9-177.232.700109
196L27.4Very low28.5Very low180 Ų180151.8 Ų151.894%0.94283%0.828SS**  trans-136.1111.7150.8-87.4166.4000110.1
197Q28.8Very low28.3Very low140 Ų140149.1 Ų149.165%0.65483%0.826SS**  trans-61.3138.8171.4-167.28442.500110.8
198Q28Very low28.1Very low196 Ų196148.8 Ų148.892%0.91683%0.826SS**  trans-118.5124.2157-106.1-179.229.300110.9
199V27.6Very low28.3Very low117 Ų117148.4 Ų148.471%0.70983%0.831SS**  trans-80.5134.5-178.7171.20000109V201V199-V201 HydrophobicContact CG1-CG2 4.12Å
200Q26.3Very low28.3Very low196 Ų196144.9 Ų144.992%0.91683%0.826SS**  trans-83.6121.3175-164.4174.6-10.600108.5
201V25.5Very low28.1Very low128 Ų128145.5 Ų145.578%0.77682%0.824SS**  trans-125.2124172.5-149.10000109.9V199V199-V201 HydrophobicContact CG1-CG2 4.12Å
202Q30.7Very low28Very low186 Ų186146.7 Ų146.787%0.86982%0.824SS**  trans-92.5128.1179.7179.6178.9-1.600108.8
203S28.1Very low27.8Very low115 Ų115146.1 Ų146.180%0.80482%0.819SS**  trans-149.8123.6166.8590000113
204Q30.2Very low27.8Very low200 Ų200142.6 Ų142.694%0.93582%0.817SS**  trans-64.6140.2169.5-75.8170.1-1000111.7
205G27.6Very low27.5Very low78 Ų78138 Ų13880%0.80480%0.797SS**  trans-161.7125167.500000110.7
206T26.1Very low27.5Very low132 Ų132140.6 Ų140.681%0.8181%0.809SS**PPolyproline II helixtrans-63.2149.7-171.838.70000115.6
207P27.5Very low27.4Very low127 Ų127137.1 Ų137.183%0.82580%0.795SS**PPolyproline II helixtrans-78.9122.8178.130.8-31.5000111.9
208I25.4Very low27.4Very low167 Ų167133.7 Ų133.786%0.85680%0.798SS**PPolyproline II helixtrans-90.1123.3158.231.8174.3000108.4S210I208-S210 PolarHBondContact O-N 2.68Å
209T34.6Very low27.5Very low142 Ų142134.2 Ų134.287%0.87180%0.801SS**  trans-64.6113.1-17951.10000110.9
210S28.3Very low27.7Very low111 Ų111132.3 Ų132.378%0.77680%0.804SS**  trans-115.1118.9149.351.90000106.7I208I208-S210 PolarHBondContact O-N 2.68Å
211A23.5Very low28Very low89 Ų89129.2 Ų129.274%0.73679%0.79SS**  trans-64.5127.1179.300000108.8V213A211-V213 PolarHBondContact O-N 3.33Å
212P27.5Very low28.3Very low122 Ų122128.8 Ų128.879%0.79278%0.779SS**  trans-72.7113.3169.629.1-29.2000107.5A214P212-A214 PolarHBondContact O-N 2.97Å; P212-A214 VanDerWaalsContact O-N 3.13Å
213V24.6Very low28.3Very low124 Ų124123.2 Ų123.275%0.75276%0.758SS**  trans-72.6102.2163.7175.90000106.4A211 M215A211-V213 PolarHBondContact O-N 3.33Å; V213-M215 HydrophobicContact CG1-CE 4.47Å; V213-M215 HydrophobicContact CG1-CG 4.45Å; V213-M215 PolarHBondContact O-N 3.13Å
214A26.8Very low28.6Very low97 Ų97124.4 Ų124.480%0.80275%0.751SS**  trans-76117168.800000108.7P212P212-A214 PolarHBondContact O-N 2.97Å; P212-A214 VanDerWaalsContact O-N 3.13Å
215M24.5Very low28.8Very low106 Ų106119.5 Ų119.552%0.52273%0.73SS.*  trans-109.1121.2161.1-82.1-167.8-166.200110V213 P336V213-M215 HydrophobicContact CG1-CE 4.47Å; V213-M215 HydrophobicContact CG1-CG 4.45Å; V213-M215 PolarHBondContact O-N 3.13Å; M215-P336 HydrophobicContact CE-CG 3.75Å; M215-P336 HydrophobicContact SD-CG 3.59Å; M215-P336 VanDerWaalsContact SD-CG 3.59Å
216Q28.2Very low29.1Very low199 Ų199120.7 Ų120.793%0.9372%0.721SS**  trans-75.4115.5178.7-176.1174.4-16.800109.5
217V26.3Very low29.5Very low107 Ų107120.3 Ų120.365%0.64871%0.71SS**  trans-123.5131166-179.60000106.7
218G28.7Very low29.5Very low69 Ų69118.7 Ų118.771%0.71171%0.708SS**SBendtrans-57.8144.8-17400000114.2
219E29.8Very low29.8Very low207 Ų207115.5 Ų115.597%0.96771%0.706SS**SBendtrans45.576.4169-68.9-178.1112.400117.5
220G32.2Very low29.6Very low76 Ų76113.1 Ų113.178%0.78470%0.701SS**SBend102.723.3107.200000121.1
221Q30.8Very low29.7Very low132 Ų132112.7 Ų112.762%0.61770%0.704SS**  trans-168126.7152.4-130.4166.6-4.700112.1Q249Q221-Q249 VanDerWaalsContact NE2-CD 3.32Å
222Q33.5Very low30.2Very low119 Ų119118.1 Ų118.156%0.55671%0.714SS**EExtended strand (participates in β ladder)trans-123.5132.2168.4-61.5-167.119.500109.3
223V30.8Very low30.3Very low69 Ų69115.7 Ų115.742%0.41871%0.711SS.*EExtended strand (participates in β ladder)trans-109.7121.4177.2-176.50000107.9V247V223-V247 HydrophobicContact CG1-CG1 4.23Å
224Q34.2Very low30.6Very low139 Ų139119.5 Ų119.565%0.6572%0.721SS**EExtended strand (participates in β ladder)trans-114.3125.2177.1-167.816232.300110.1
225I34.8Very low31Very low97 Ų97119.6 Ų119.650%0.49772%0.721SS.*  trans-92109.2178.2-56.1168.8000107.5M245I225-M245 HydrophobicContact CG2-CE 3.99Å
226V33.4Very low31.2Very low103 Ų103123.6 Ų123.662%0.62474%0.739SS**  trans-93.8112.5174-178.10000108.7
227Q33Very low31.5Very low124 Ų124121 Ų12158%0.57974%0.737SS**  trans-85.2113.3169.6-118.6174.12.700108.4A229Q227-A229 PolarHBondContact O-N 2.89Å
228A28.8Very low31.5Very low93 Ų93120.4 Ų120.477%0.76974%0.743SS**  trans-72.2108.5171.500000109.1A230A228-A230 PolarHBondContact O-N 3.37Å
229A30.9Very low31.4Very low100 Ų100125.2 Ų125.283%0.82675%0.747SS**PPolyproline II helixtrans-73118.3170.700000109.1Q227Q227-A229 PolarHBondContact O-N 2.89Å
230A30.7Very low31.5Very low93 Ų93120.8 Ų120.877%0.76975%0.746SS**PPolyproline II helixtrans-69.3132.5170.100000109.5A228 Q232A228-A230 PolarHBondContact O-N 3.37Å; A230-Q232 PolarHBondContact O-N 3.2Å
231A29.7Very low31.4Very low101 Ų101125.7 Ų125.784%0.83575%0.749SS**PPolyproline II helixtrans-55.8129.8171.100000110.1G233A231-G233 PolarHBondContact O-N 2.91Å
232Q34.7Very low31.4Very low203 Ų203122.2 Ų122.295%0.94975%0.749SS**PPolyproline II helixtrans-65.6123.1-179.6-76.4175.5-28.400110.9A230A230-Q232 PolarHBondContact O-N 3.2Å
233G30.7Very low31.5Very low71 Ų71122.6 Ų122.673%0.73275%0.75SS**  trans-16282.2174.600000112.6A231A231-G233 PolarHBondContact O-N 2.91Å
234Q30.5Very low31.7Very low205 Ų205124.6 Ų124.696%0.95876%0.763SS**  trans57.9141.3158.9-74.6175-27.900121.2
235A35.6Very low31.9Very low98 Ų98119.6 Ų119.681%0.8174%0.74SS**  trans-83.7133.7-161.100000113.9
236Q27.1Very low32Very low191 Ų191121 Ų12189%0.89375%0.745SS**  trans-159.4137.8145.1-118.2165.3-4.700111.2A238Q236-A238 PolarHBondContact O-N 3.34Å
237T34.5Very low32.5Very low144 Ų144117 Ų11788%0.88372%0.72SS**  trans-54113.2-176.943.80000113
238A26.6Very low32.7Very low95 Ų95114.3 Ų114.379%0.78571%0.708SS**  trans-154.7146.8161.800000110.6Q236Q236-A238 PolarHBondContact O-N 3.34Å
239Q28.1Very low33.1Very low169 Ų169112.4 Ų112.479%0.7968%0.684SS**  trans-42145.4-173.7-71.9151.5-72.300114.4Q241Q239-Q241 PolarHBondContact O-N 2.89Å
240A31.7Very low33.3Very low115 Ų115110.9 Ų110.995%0.9566%0.659SS**  trans-62.472.4170.900000111.5
241Q28.4Very low33.5Very low178 Ų178109.7 Ų109.783%0.83264%0.639SS**  trans-95.7105.5166.7-84-176-39.500108.6Q239Q239-Q241 PolarHBondContact O-N 2.89Å
242G31.8Very low33.9Very low60 Ų60110.5 Ų110.562%0.61963%0.628SS**  trans83.653.9143.900000118T244G242-T244 PolarHBondContact O-N 2.84Å; G242-T244 VanDerWaalsContact O-N 3.1Å
243Q36.3Very low33.9Very low126 Ų126103.1 Ų103.159%0.58960%0.597SS**  trans-64.7105.7145.5-100.7-179.7-6.700107.6M245 R274Q243-M245 PolarHBondContact O-N 2.81Å; Q243-R274 PolarHBondContact O-NH1 3.12Å; Q243-R274 PolarHBondContact O-NH2 2.92Å
244T35Very low34Very low111 Ų111108.5 Ų108.568%0.68161%0.609SS**  trans-79.197.6169.459.30000107.6G242 Q246G242-T244 PolarHBondContact O-N 2.84Å; G242-T244 VanDerWaalsContact O-N 3.1Å; T244-Q246 PolarHBondContact O-N 3.06Å; T244-Q246 VanDerWaalsContact O-N 3.1Å
245M37.7Very low34Very low35 Ų35104 Ų10417%0.17260%0.596CS.*  trans-64.7109.1164.1-86.8-168.159.900107.9I225 Q243 V247 L270 I273I225-M245 HydrophobicContact CG2-CE 3.99Å; Q243-M245 PolarHBondContact O-N 2.81Å; M245-V247 HydrophobicContact CE-CG2 4.37Å; M245-L270 HydrophobicContact CB-CD2 3.81Å; M245-I273 HydrophobicContact CE-CB 4.32Å; M245-I273 HydrophobicContact CE-CD1 4.48Å; M245-I273 HydrophobicContact CE-CG2 3.36Å; M245-I273 HydrophobicContact SD-CB 4.3Å; M245-I273 HydrophobicContact SD-CG2 3.59Å; M245-I273 VanDerWaalsContact SD-CG2 3.59Å
246Q36.9Very low33.9Very low127 Ų127101.9 Ų101.959%0.59358%0.583SS**  trans-92.4115.9168.8-66.9-168.625.400107.9T244T244-Q246 PolarHBondContact O-N 3.06Å; T244-Q246 VanDerWaalsContact O-N 3.1Å
247V43.9Very low34.2Very low17 Ų1799.3 Ų99.310%0.10357%0.571CS.*EExtended strand (participates in β ladder)trans-93.4115.6172.4176.80000106.9V223 M245 V263 L265V223-V247 HydrophobicContact CG1-CG1 4.23Å; M245-V247 HydrophobicContact CE-CG2 4.37Å; V247-V263 WeakPolarHBondContact O-CB 3.36Å; V247-V263 PolarHBondContact O-N 3.09Å; V247-L265 HydrophobicContact CB-CD1 3.68Å; V247-L265 HydrophobicContact CG1-CD1 4.36Å; V247-L265 HydrophobicContact CG2-CD1 3.32Å
248M37.2Very low34.4Very low68 Ų6897.4 Ų97.434%0.33556%0.555SS.*EExtended strand (participates in β ladder)trans-100.3127.2178.1-61.1176.388.700108.1Q260M248-Q260 HydrophobicContact CE-CB 3.95Å
249Q36.3Very low34.6Very low54 Ų5498.7 Ų98.725%0.25254%0.544SS..EExtended strand (participates in β ladder)trans-91124.9170.2-176.7164.196.300108Q221 I251 I261 V263Q221-Q249 VanDerWaalsContact NE2-CD 3.32Å; Q249-I251 HydrophobicContact CG-CG1 4.27Å; Q249-I261 PolarHBondContact N-O 3.39Å; Q249-I261 PolarHBondContact O-N 3.34Å; Q249-V263 HydrophobicContact CB-CG2 3.57Å
250Q36.4Very low35Very low68 Ų6895.6 Ų95.632%0.31853%0.53SS..EExtended strand (participates in β ladder)trans-103.7114.2179.5-163.5168.690.600108.8I258 Q260Q250-I258 HydrophobicContact CG-CG2 3.28Å; Q250-Q260 HydrophobicContact CG-CG 4.35Å
251I34.4Very low35.2Very low68 Ų6893.7 Ų93.735%0.34950%0.503SS..EExtended strand (participates in β ladder)trans-104.1121.6177.6-54.8-178.6000107Q249 Q259 I261Q249-I251 HydrophobicContact CG-CG1 4.27Å; I251-Q259 PolarHBondContact N-O 3.39Å; I251-Q259 PolarHBondContact O-N 2.96Å; I251-I261 HydrophobicContact CD1-CD1 3.54Å; I251-I261 HydrophobicContact CD1-CG1 4.41Å; I251-I261 HydrophobicContact CG1-CD1 4.42Å
252I37.3Very low35.6Very low118 Ų11889.6 Ų89.661%0.60549%0.492SS*.EExtended strand (participates in β ladder)trans-93.1115.1173.6-57.6168.1000106.2
253T34.7Very low36Very low48 Ų4889.3 Ų89.329%0.29448%0.478SS..  trans-73.6164.217858.70000110.5T255 G256 E257T253-T255 PolarHBondContact O-N 2.88Å; T253-T255 PolarHBondContact OG1-OG1 3.08Å; T253-G256 PolarHBondContact O-N 2.89Å; T253-E257 PolarHBondContact N-O 2.95Å; T253-E257 VanDerWaalsContact N-O 3.08Å; T253-E257 PolarHBondContact OG1-N 3.27Å; T253-E257 PolarHBondContact OG1-O 2.88Å
254N34.4Very low36.1Very low184 Ų18492.6 Ų92.698%0.98449%0.493SS*.THydrogen-bonded Turntrans-60.9-9.4177.5-85.5-73.6000114.1
255T30Very low36.5Very low110 Ų11089.3 Ų89.368%0.67547%0.471SS*.THydrogen-bonded Turntrans-94.3-1.417452.50000113.3T253 E257T253-T255 PolarHBondContact O-N 2.88Å; T253-T255 PolarHBondContact OG1-OG1 3.08Å; T255-E257 VanDerWaalsContact C-N 3.31Å
256G34.2Very low36.6Very low53 Ų5391.9 Ų91.955%0.54649%0.486SS..  trans816.1-178.200000114.3T253T253-G256 PolarHBondContact O-N 2.89Å
257E32.3Very low36.7Very low138 Ų13891.2 Ų91.265%0.64549%0.491SS*.  trans-77.2136.7174.8-73.1-177.6121.700111T253 T255T253-E257 PolarHBondContact N-O 2.95Å; T253-E257 VanDerWaalsContact N-O 3.08Å; T253-E257 PolarHBondContact OG1-N 3.27Å; T253-E257 PolarHBondContact OG1-O 2.88Å; T255-E257 VanDerWaalsContact C-N 3.31Å
258I38.6Very low36.4Very low103 Ų10392.2 Ų92.253%0.52850%0.504SS..EExtended strand (participates in β ladder)trans-91.6108.4-178.3-60.8179.7000108.4Q250 Q260Q250-I258 HydrophobicContact CG-CG2 3.28Å; I258-Q260 HydrophobicContact CG2-CG 4.36Å
259Q31.7Very low36.8Very low122 Ų12293.4 Ų93.457%0.5751%0.509SS*.EExtended strand (participates in β ladder)trans-105119.2176-162.4151.377.400110.5I251I251-Q259 PolarHBondContact N-O 3.39Å; I251-Q259 PolarHBondContact O-N 2.96Å
260Q36.8Very low37.2Very low105 Ų10592.3 Ų92.349%0.49150%0.504SS..EExtended strand (participates in β ladder)trans-99.3116.9-177.4-60.2-179.913.600109.9M248 Q250 I258M248-Q260 HydrophobicContact CE-CB 3.95Å; Q250-Q260 HydrophobicContact CG-CG 4.35Å; I258-Q260 HydrophobicContact CG2-CG 4.36Å
261I35.8Very low37.4Very low74 Ų7494.6 Ų94.638%0.37952%0.515SS..EExtended strand (participates in β ladder)trans-109.3120.6178.9-52.8-176.6000108.7Q249 I251 V263Q249-I261 PolarHBondContact N-O 3.39Å; Q249-I261 PolarHBondContact O-N 3.34Å; I251-I261 HydrophobicContact CD1-CD1 3.54Å; I251-I261 HydrophobicContact CD1-CG1 4.41Å; I251-I261 HydrophobicContact CG1-CD1 4.42Å; I261-V263 PolarHBondContact O-N 3.4Å
262P35.4Very low38Very low92 Ų9299.8 Ų99.860%0.59753%0.532SS*.EExtended strand (participates in β ladder)trans-68.3123.7175.725.5-30.4000110.1
263V41.5Very low38.5Very low54 Ų5496.9 Ų96.933%0.32752%0.517SS..EExtended strand (participates in β ladder)trans-92114.8177-175.90000108.6V247 Q249 I261 L265V247-V263 WeakPolarHBondContact O-CB 3.36Å; V247-V263 PolarHBondContact O-N 3.09Å; Q249-V263 HydrophobicContact CB-CG2 3.57Å; I261-V263 PolarHBondContact O-N 3.4Å; V263-L265 HydrophobicContact CG1-CD2 4.37Å; V263-L265 HydrophobicContact CG1-CG 4.31Å; V263-L265 PolarHBondContact O-N 3.14Å
264Q37.8Very low38.9Very low196 Ų19698.7 Ų98.792%0.91652%0.518SS*.  trans-77.7101.1172-75.1-16937.400109.9
265L44.2Very low39.2Very low41 Ų4196.8 Ų96.822%0.21551%0.507CS..  trans-85145.1172.6-69.1164.2000110.7V247 V263 Q269 L270 I273V247-L265 HydrophobicContact CB-CD1 3.68Å; V247-L265 HydrophobicContact CG1-CD1 4.36Å; V247-L265 HydrophobicContact CG2-CD1 3.32Å; V263-L265 HydrophobicContact CG1-CD2 4.37Å; V263-L265 HydrophobicContact CG1-CG 4.31Å; V263-L265 PolarHBondContact O-N 3.14Å; L265-Q269 HydrophobicContact CB-CB 4.44Å; L265-Q269 HydrophobicContact CD2-CB 4.29Å; L265-L270 HydrophobicContact CB-CD2 4.34Å; L265-L270 HydrophobicContact CB-CG 4.05Å; L265-L270 HydrophobicContact CD1-CD2 4.47Å; L265-I273 HydrophobicContact CD1-CD1 4.11Å
266N38.3Very low39.7Very low90 Ų9094.1 Ų94.148%0.48150%0.496SS..  trans-76162.3175.871.925.8000111.8G268 Q269 L270N266-G268 PolarHBondContact O-N 3.38Å; N266-G268 PolarHBondContact OD1-N 3.16Å; N266-Q269 VanDerWaalsContact CG-NE2 3.27Å; N266-Q269 PolarHBondContact ND2-NE2 3.1Å; N266-Q269 VanDerWaalsContact ND2-NE2 3.13Å; N266-Q269 PolarHBondContact O-N 3.42Å; N266-Q269 VanDerWaalsContact O-N 3.16Å; N266-Q269 WeakPolarHBondContact OD1-CB 3.2Å; N266-Q269 WeakPolarHBondContact OD1-CG 3.4Å; N266-Q269 PolarHBondContact OD1-N 3.15Å; N266-Q269 PolarHBondContact OD1-NE2 3.41Å; N266-L270 PolarHBondContact O-N 2.87Å; N266-L270 VanDerWaalsContact O-N 3.09Å
267T38.8Very low40Very low113 Ų11395.3 Ų95.369%0.69349%0.488SS*.Hα-helixtrans-58.5-33.9-174.6-33.10000112.9Q271T267-Q271 PolarHBondContact O-N 3.03Å; T267-Q271 VanDerWaalsContact O-N 3.14Å
268G39.2Very low40.2Very low37 Ų3792 Ų9238%0.38148%0.478SS..Hα-helixtrans-66-49176.300000112.4N266 L270 Q271 Y272N266-G268 PolarHBondContact O-N 3.38Å; N266-G268 PolarHBondContact OD1-N 3.16Å; G268-L270 VanDerWaalsContact C-N 3.3Å; G268-L270 PolarHBondContact O-N 3.19Å; G268-Q271 WeakPolarHBondContact O-CB 3.41Å; G268-Q271 PolarHBondContact O-N 3.09Å; G268-Y272 WeakPolarHBondContact O-CD2 3.28Å; G268-Y272 PolarHBondContact O-N 3.48Å; G268-Y272 VanDerWaalsContact O-N 3.15Å
269Q43.8Very low40.1Very low94 Ų9493.8 Ų93.844%0.43949%0.493SS..Hα-helixtrans-61.7-38.4178.3-71.9178.779.200111.9L265 N266 Q271 Y272 I273L265-Q269 HydrophobicContact CB-CB 4.44Å; L265-Q269 HydrophobicContact CD2-CB 4.29Å; N266-Q269 VanDerWaalsContact CG-NE2 3.27Å; N266-Q269 PolarHBondContact ND2-NE2 3.1Å; N266-Q269 VanDerWaalsContact ND2-NE2 3.13Å; N266-Q269 PolarHBondContact O-N 3.42Å; N266-Q269 VanDerWaalsContact O-N 3.16Å; N266-Q269 WeakPolarHBondContact OD1-CB 3.2Å; N266-Q269 WeakPolarHBondContact OD1-CG 3.4Å; N266-Q269 PolarHBondContact OD1-N 3.15Å; N266-Q269 PolarHBondContact OD1-NE2 3.41Å; Q269-Q271 VanDerWaalsContact C-N 3.3Å; Q269-Q271 PolarHBondContact O-N 3.22Å; Q269-Y272 PolarHBondContact O-N 3.11Å; Q269-I273 WeakPolarHBondContact O-CD1 3.21Å; Q269-I273 VanDerWaalsContact O-CG1 3.28Å; Q269-I273 WeakPolarHBondContact O-CG1 3.29Å; Q269-I273 PolarHBondContact O-N 3.38Å
270L45.3Very low40.2Very low30 Ų3093 Ų9316%0.15750%0.501CS..Hα-helixtrans-66.1-28.9173.8-72.5163.4000113.3M245 L265 N266 G268 R274M245-L270 HydrophobicContact CB-CD2 3.81Å; L265-L270 HydrophobicContact CB-CD2 4.34Å; L265-L270 HydrophobicContact CB-CG 4.05Å; L265-L270 HydrophobicContact CD1-CD2 4.47Å; N266-L270 PolarHBondContact O-N 2.87Å; N266-L270 VanDerWaalsContact O-N 3.09Å; G268-L270 VanDerWaalsContact C-N 3.3Å; G268-L270 PolarHBondContact O-N 3.19Å; L270-R274 PolarHBondContact O-N 2.99Å; L270-R274 PolarHBondContact O-NE 3.43Å
271Q41.6Very low40.4Very low116 Ų11691.5 Ų91.554%0.54251%0.514SS..Hα-helixtrans-76.5-37.7179.3-152.373.956.300111.7T267 G268 Q269 R274 L275T267-Q271 PolarHBondContact O-N 3.03Å; T267-Q271 VanDerWaalsContact O-N 3.14Å; G268-Q271 WeakPolarHBondContact O-CB 3.41Å; G268-Q271 PolarHBondContact O-N 3.09Å; Q269-Q271 VanDerWaalsContact C-N 3.3Å; Q269-Q271 PolarHBondContact O-N 3.22Å; Q271-R274 WeakPolarHBondContact O-CB 3.39Å; Q271-R274 PolarHBondContact O-N 3.39Å; Q271-L275 PolarHBondContact O-N 3.24Å
272Y46.6Very low40.3Very low177 Ų17793 Ų9369%0.69454%0.538SS*.Hα-helixtrans-67.9-40.1175.6-79.9-76000112.5G268 Q269 R274 L275 A276G268-Y272 WeakPolarHBondContact O-CD2 3.28Å; G268-Y272 PolarHBondContact O-N 3.48Å; G268-Y272 VanDerWaalsContact O-N 3.15Å; Q269-Y272 PolarHBondContact O-N 3.11Å; Y272-R274 VanDerWaalsContact C-N 3.27Å; Y272-R274 PolarHBondContact O-N 3.33Å; Y272-L275 PolarHBondContact O-N 2.86Å; Y272-L275 VanDerWaalsContact O-N 3.13Å; Y272-A276 PolarHBondContact O-N 3.1Å; Y272-A276 VanDerWaalsContact O-N 3.12Å
273I47.5Very low40.1Very low57 Ų5792.6 Ų92.629%0.29253%0.528SS..Hα-helixtrans-65.7-35.2175-59.4160.9000110.7M245 L265 Q269 L275 A276M245-I273 HydrophobicContact CE-CB 4.32Å; M245-I273 HydrophobicContact CE-CD1 4.48Å; M245-I273 HydrophobicContact CE-CG2 3.36Å; M245-I273 HydrophobicContact SD-CB 4.3Å; M245-I273 HydrophobicContact SD-CG2 3.59Å; M245-I273 VanDerWaalsContact SD-CG2 3.59Å; L265-I273 HydrophobicContact CD1-CD1 4.11Å; Q269-I273 WeakPolarHBondContact O-CD1 3.21Å; Q269-I273 VanDerWaalsContact O-CG1 3.28Å; Q269-I273 WeakPolarHBondContact O-CG1 3.29Å; Q269-I273 PolarHBondContact O-N 3.38Å; I273-L275 VanDerWaalsContact C-N 3.35Å; I273-A276 PolarHBondContact O-N 3.37Å
274R42.6Very low39.8Very low86 Ų8696.7 Ų96.733%0.32555%0.552SS.*Hα-helixtrans-63.6-37.6171-96.8177-106-109.2-0.5113Q243 L270 Q271 Y272 A276 Q277Q243-R274 PolarHBondContact O-NH1 3.12Å; Q243-R274 PolarHBondContact O-NH2 2.92Å; L270-R274 PolarHBondContact O-N 2.99Å; L270-R274 PolarHBondContact O-NE 3.43Å; Q271-R274 WeakPolarHBondContact O-CB 3.39Å; Q271-R274 PolarHBondContact O-N 3.39Å; Y272-R274 VanDerWaalsContact C-N 3.27Å; Y272-R274 PolarHBondContact O-N 3.33Å; R274-A276 VanDerWaalsContact C-N 3.31Å; R274-Q277 PolarHBondContact O-N 3.24Å
275L41.7Very low39.8Very low145 Ų14590.4 Ų90.476%0.75953%0.527SS*.Hα-helixtrans-74.9-21.4-178.5-15470.4000113Q271 Y272 I273 Q277Q271-L275 PolarHBondContact O-N 3.24Å; Y272-L275 PolarHBondContact O-N 2.86Å; Y272-L275 VanDerWaalsContact O-N 3.13Å; I273-L275 VanDerWaalsContact C-N 3.35Å; L275-Q277 VanDerWaalsContact C-N 3.31Å
276A40.2Very low39.4Very low53 Ų5396.6 Ų96.644%0.43856%0.555SS.*THydrogen-bonded Turntrans-84.30.7175.600000113.9Y272 I273 R274Y272-A276 PolarHBondContact O-N 3.1Å; Y272-A276 VanDerWaalsContact O-N 3.12Å; I273-A276 PolarHBondContact O-N 3.37Å; R274-A276 VanDerWaalsContact C-N 3.31Å
277Q40.8Very low39.3Very low79 Ų7993.6 Ų93.637%0.36955%0.546SS..SBendtrans-86.9131178.4-131.1168.998.300110R274 L275 V279R274-Q277 PolarHBondContact O-N 3.24Å; L275-Q277 VanDerWaalsContact C-N 3.31Å; Q277-V279 PolarHBondContact O-N 3.49Å
278P36Very low39.1Very low67 Ų6794.4 Ų94.444%0.43554%0.542SS..  trans-65.8127.1177.225.1-31.1000110.1S280 Q283P278-S280 PolarHBondContact O-N 2.7Å; P278-Q283 HydrophobicContact CG-CB 4.25Å
279V36.2Very low39Very low142 Ų14297.5 Ų97.586%0.86155%0.548SS*.SBendtrans-69110.2164.5-115.10000107Q277Q277-V279 PolarHBondContact O-N 3.49Å
280S35.1Very low38.7Very low105 Ų10599 Ų9973%0.73456%0.555SS**SBendtrans106.8108.6171.1-43.40000115P278P278-S280 PolarHBondContact O-N 2.7Å
281G39.4Very low38.2Very low73 Ų73102.1 Ų102.175%0.75358%0.575SS**SBendtrans53.3107.2142.400000119.2
282A34.8Very low38Very low107 Ų107100.4 Ų100.488%0.88457%0.57SS**  trans67.940.315300000118.1
283Q31.7Very low37.2Very low83 Ų8396.7 Ų96.739%0.38858%0.575SS.*  trans-118.9116.7165-78.3-95.1-9.100108.9P278 M327P278-Q283 HydrophobicContact CG-CB 4.25Å; Q283-M327 PolarHBondContact NE2-O 3.42Å
284V35.3Very low36.6Very low139 Ų139100.7 Ų100.784%0.84260%0.597SS**  trans-88111.2173.9-170.50000107.5
285V36Very low36.2Very low64 Ų64103 Ų10339%0.38862%0.621SS.*  trans-90.9110.7175.1174.40000108.5Q324V285-Q324 HydrophobicContact CG1-CG 4.31Å
286Q36.3Very low35.8Very low172 Ų172104 Ų10480%0.80462%0.622SS**  trans-93.399.9169.8-172.6172.2-6.900108.6
287G36Very low35.5Very low27 Ų27110.8 Ų110.828%0.27865%0.645SS.*  trans-101.1127.8175.600000111.3
288Q36.2Very low35Very low130 Ų130113.5 Ų113.561%0.60766%0.66SS**  trans-98.5140.5161.5-85-179.3-30.300109.3
289I35.3Very low34.7Very low102 Ų102116.1 Ų116.152%0.52368%0.675SS.*EExtended strand (participates in β ladder)trans-99.6113172.4-58.6-167000107.5Y320I289-Y320 HydrophobicContact CG2-CD1 3.92Å
290Q37.3Very low34.6Very low126 Ų126118.7 Ų118.759%0.58968%0.678SS**EExtended strand (participates in β ladder)trans-108130.5173.9-159.588.579.500109.6
291T35.1Very low34.3Very low94 Ų94119.8 Ų119.858%0.57768%0.68SS**EExtended strand (participates in β ladder)trans-90.6119173.6530000109.7Y320T291-Y320 HydrophobicContact CG2-CE1 4.2Å
292L37.7Very low33.8Very low81 Ų81125.4 Ų125.442%0.42469%0.687SS.*EExtended strand (participates in β ladder)trans-95.7137.9176.8-77.186.9000111.5Q321L292-Q321 HydrophobicContact CD1-CB 4.11Å
293A31Very low33.6Very low98 Ų98126 Ų12681%0.8168%0.679SS**SBendtrans-89.4-1.9-177.700000115
294N33.7Very low33.6Very low141 Ų141130 Ų13075%0.75470%0.698SS**SBendtrans-140.2139.5-178-83.1-38.6000113.7Q296N294-Q296 PolarHBondContact O-N 3.13Å
295T35.2Very low33.4Very low135 Ų135133 Ų13383%0.82870%0.703SS**  trans-8397.5178.7-45.50000110.5
296Q33Very low33.4Very low166 Ų166134 Ų13478%0.77673%0.726SS**  trans-117.6122.9156.3-73.4-165.250.900108.8N294 I298N294-Q296 PolarHBondContact O-N 3.13Å; Q296-I298 PolarHBondContact O-N 3.42Å
297Q33Very low33.5Very low196 Ų196133.9 Ų133.992%0.91673%0.725SS**  trans-67.9120172.1-88.1176.2-30.500109
298I31.8Very low33.7Very low136 Ų136137.1 Ų137.170%0.69773%0.733SS**  trans-109.1121.8164.6-58.1175.1000106.6Q296Q296-I298 PolarHBondContact O-N 3.42Å
299T29.6Very low33.9Very low122 Ų122135 Ų13575%0.74872%0.723SS**PPolyproline II helixtrans-63.1136.3178.6-55.90000110.6T301T299-T301 PolarHBondContact O-N 3.18Å
300Q32.5Very low34.3Very low195 Ų195135.3 Ų135.391%0.91172%0.721SS**PPolyproline II helixtrans-65.9116.2175.3-164.8177.3106.800109.3
301T28.7Very low34.4Very low128 Ų128132.8 Ų132.879%0.78571%0.712SS**PPolyproline II helixtrans-97.9129.6174.5-43.80000109.5T299T299-T301 PolarHBondContact O-N 3.18Å
302E29.1Very low34.5Very low192 Ų192132 Ų13290%0.89770%0.701SS**PPolyproline II helixtrans-58.7155.2178.2-93.9173.811200114
303V32.2Very low34.7Very low118 Ų118132.8 Ų132.872%0.71570%0.702SS**PPolyproline II helixtrans-87.4128.9-160.7-166.50000111.9
304Q30.4Very low34.9Very low169 Ų169132.8 Ų132.879%0.7969%0.691SS**  trans-127.4139.7158.7-162.4160.499.100109.9G306Q304-G306 PolarHBondContact O-N 3.47Å
305Q31.1Very low34.9Very low202 Ų202132 Ų13294%0.94469%0.687SS**THydrogen-bonded Turntrans-50.7124.3-169.2-77.1-178.923.500112.6
306G36.7Very low35.3Very low84 Ų84128.8 Ų128.887%0.86668%0.681SS**THydrogen-bonded Turntrans113.39.1174.500000116.3Q304Q304-G306 PolarHBondContact O-N 3.47Å
307Q38Very low35.4Very low170 Ų170129 Ų12979%0.79468%0.682SS**  trans-120.5147.4179.2-78-170.3-38.800115
308Q41.3Very low35.5Very low95 Ų95124.3 Ų124.344%0.44466%0.66SS.*  trans-58.2133.7-179.5-54.2-172.263.300111.3F310 V325Q308-F310 HydrophobicContact CB-CE2 4.33Å; Q308-V325 HydrophobicContact CG-CG1 4.45Å; Q308-V325 HydrophobicContact CG-CG2 4.04Å
309Q40.4Very low35.8Very low85 Ų85119.8 Ų119.840%0.39764%0.637SS.*EExtended strand (participates in β ladder)trans-100.5134.8-178.9-145.5171.955.100109.7Q323 Q324Q309-Q323 PolarHBondContact O-NE2 3.41Å; Q309-Q324 HydrophobicContact CB-CB 4.43Å; Q309-Q324 PolarHBondContact N-O 3.38Å; Q309-Q324 PolarHBondContact O-N 2.82Å
310F42.1Very low36.3Very low108 Ų108116.4 Ų116.447%0.47461%0.611SS.*EExtended strand (participates in β ladder)trans-117.4109.5178-66.2-99.4000108.6Q308 Q321 I322 Q323Q308-F310 HydrophobicContact CB-CE2 4.33Å; F310-Q321 HydrophobicContact CD1-CG 4.17Å; F310-I322 WeakPolarHBondContact CA-O 3.47Å; F310-Q323 VanDerWaalsContact CD2-NE2 3.31Å; F310-Q323 VanDerWaalsContact CG-NE2 3.34Å
311N39.1Very low36.5Very low74 Ų74109.2 Ų109.240%0.39658%0.577SS.*EExtended strand (participates in β ladder)trans-102.8119.4176.4-77.544.6000109.2I322N311-I322 PolarHBondContact N-O 3.33Å; N311-I322 PolarHBondContact O-N 3.28Å
312Q38.3Very low37.1Very low77 Ų77105 Ų10536%0.3655%0.549SS..EExtended strand (participates in β ladder)trans-110.3135.4176.9-67.8-162.9102.500111.8L319 Y320 Q321Q312-L319 HydrophobicContact CB-CD1 4.26Å; Q312-L319 VanDerWaalsContact OE1-CD2 3.23Å; Q312-Y320 VanDerWaalsContact CA-O 3.22Å; Q312-Y320 WeakPolarHBondContact CA-O 3.4Å; Q312-Q321 HydrophobicContact CG-CB 3.98Å; Q312-Q321 HydrophobicContact CG-CG 3.78Å
313F41.9Very low37.6Very low98 Ų9898.5 Ų98.543%0.4352%0.519SS..EExtended strand (participates in β ladder)trans-132.3151.417063.9-85000110.6Y320 I322F313-Y320 AromaticContact CD2-CD2 3.78Å; F313-Y320 HydrophobicContact CD2-CD2 3.78Å; F313-Y320 HydrophobicContact CD2-CG 4.34Å; F313-Y320 HydrophobicContact CE1-CG 4.27Å; F313-Y320 AromaticContact CE2-CD2 3.29Å; F313-Y320 HydrophobicContact CE2-CD2 3.29Å; F313-Y320 HydrophobicContact CE2-CE2 4.05Å; F313-Y320 AromaticContact CE2-CG 3.67Å; F313-Y320 HydrophobicContact CE2-CG 3.67Å; F313-Y320 HydrophobicContact CZ-CD1 4.44Å; F313-Y320 AromaticContact CZ-CD2 3.79Å; F313-Y320 HydrophobicContact CZ-CD2 3.79Å; F313-Y320 AromaticContact CZ-CG 3.62Å; F313-Y320 HydrophobicContact CZ-CG 3.62Å; F313-Y320 PolarHBondContact N-O 2.88Å; F313-Y320 VanDerWaalsContact N-O 3.11Å; F313-Y320 PolarHBondContact O-N 3.29Å; F313-I322 HydrophobicContact CD1-CD1 4.42Å; F313-I322 HydrophobicContact CE1-CD1 3.79Å; F313-I322 HydrophobicContact CE1-CG1 4.21Å
314T35.9Very low38Very low97 Ų9794.1 Ų94.160%0.59549%0.491SS*.EExtended strand (participates in β ladder)trans-117.4128.2-177.8-66.70000109.2Q318 L319T314-Q318 WeakPolarHBondContact CA-O 3.22Å; T314-L319 VanDerWaalsContact OG1-CD1 3.29Å; T314-L319 WeakPolarHBondContact OG1-CD1 3.39Å
315D33.4Very low38.4Very low125 Ų12589.4 Ų89.467%0.66847%0.473SS*.EExtended strand (participates in β ladder)trans-111.172.1170.4-170.948.9000109.9Q317 Q318 Y320D315-Q317 PolarHBondContact O-N 3.13Å; D315-Q318 PolarHBondContact N-O 3.19Å; D315-Y320 HydrophobicContact CB-CE2 4.2Å
316G43.7Very low38.8Very low67 Ų6784.4 Ų84.469%0.69146%0.457SS*.THydrogen-bonded Turntrans62.8-26.9173.400000118.7
317Q34.7Very low38.8Very low170 Ų17084.6 Ų84.679%0.79444%0.436SS*.THydrogen-bonded Turntrans-147.1-20.9-178.1-73.4-80.9-69.100113D315D315-Q317 PolarHBondContact O-N 3.13Å
318Q34.7Very low38.8Very low99 Ų9981.2 Ų81.246%0.46343%0.429SS..EExtended strand (participates in β ladder)trans-120.5134.5-178-67.4-171.59.400112.2T314 D315 Y320T314-Q318 WeakPolarHBondContact CA-O 3.22Å; D315-Q318 PolarHBondContact N-O 3.19Å; Q318-Y320 HydrophobicContact CB-CE2 3.85Å; Q318-Y320 PolarHBondContact OE1-OH 3.31Å
319L37.3Very low38.5Very low41 Ų4181.8 Ų81.822%0.21545%0.45CS..EExtended strand (participates in β ladder)trans-99.6117175.6-171.368.8000108.6Q312 T314Q312-L319 HydrophobicContact CB-CD1 4.26Å; Q312-L319 VanDerWaalsContact OE1-CD2 3.23Å; T314-L319 VanDerWaalsContact OG1-CD1 3.29Å; T314-L319 WeakPolarHBondContact OG1-CD1 3.39Å
320Y40.8Very low38.7Very low51 Ų5181.6 Ų81.620%0.247%0.471CS..EExtended strand (participates in β ladder)trans-101.8132.7176.8-61.5-82.8000109I289 T291 Q312 F313 D315 Q318I289-Y320 HydrophobicContact CG2-CD1 3.92Å; T291-Y320 HydrophobicContact CG2-CE1 4.2Å; Q312-Y320 VanDerWaalsContact CA-O 3.22Å; Q312-Y320 WeakPolarHBondContact CA-O 3.4Å; F313-Y320 AromaticContact CD2-CD2 3.78Å; F313-Y320 HydrophobicContact CD2-CD2 3.78Å; F313-Y320 HydrophobicContact CD2-CG 4.34Å; F313-Y320 HydrophobicContact CE1-CG 4.27Å; F313-Y320 AromaticContact CE2-CD2 3.29Å; F313-Y320 HydrophobicContact CE2-CD2 3.29Å; F313-Y320 HydrophobicContact CE2-CE2 4.05Å; F313-Y320 AromaticContact CE2-CG 3.67Å; F313-Y320 HydrophobicContact CE2-CG 3.67Å; F313-Y320 HydrophobicContact CZ-CD1 4.44Å; F313-Y320 AromaticContact CZ-CD2 3.79Å; F313-Y320 HydrophobicContact CZ-CD2 3.79Å; F313-Y320 AromaticContact CZ-CG 3.62Å; F313-Y320 HydrophobicContact CZ-CG 3.62Å; F313-Y320 PolarHBondContact N-O 2.88Å; F313-Y320 VanDerWaalsContact N-O 3.11Å; F313-Y320 PolarHBondContact O-N 3.29Å; D315-Y320 HydrophobicContact CB-CE2 4.2Å; Q318-Y320 HydrophobicContact CB-CE2 3.85Å; Q318-Y320 PolarHBondContact OE1-OH 3.31Å
321Q36.5Very low38.5Very low43 Ų4383.2 Ų83.220%0.20148%0.48CS..EExtended strand (participates in β ladder)trans-117.8121.7175.3-170.1170.3106.700109.8L292 F310 Q312L292-Q321 HydrophobicContact CD1-CB 4.11Å; F310-Q321 HydrophobicContact CD1-CG 4.17Å; Q312-Q321 HydrophobicContact CG-CB 3.98Å; Q312-Q321 HydrophobicContact CG-CG 3.78Å
322I41.1Very low38.3Very low40 Ų4088.4 Ų88.421%0.20550%0.502CS..EExtended strand (participates in β ladder)trans-103.7111173.6-57.8172.1000107.2F310 N311 F313 Q324F310-I322 WeakPolarHBondContact CA-O 3.47Å; N311-I322 PolarHBondContact N-O 3.33Å; N311-I322 PolarHBondContact O-N 3.28Å; F313-I322 HydrophobicContact CD1-CD1 4.42Å; F313-I322 HydrophobicContact CE1-CD1 3.79Å; F313-I322 HydrophobicContact CE1-CG1 4.21Å; I322-Q324 HydrophobicContact CG2-CG 3.75Å
323Q39.4Very low38.3Very low55 Ų5589.8 Ų89.826%0.25751%0.511SS..EExtended strand (participates in β ladder)trans-83.5114.7168.4-177.987.693.100108.4Q309 F310 V325Q309-Q323 PolarHBondContact O-NE2 3.41Å; F310-Q323 VanDerWaalsContact CD2-NE2 3.31Å; F310-Q323 VanDerWaalsContact CG-NE2 3.34Å; Q323-V325 HydrophobicContact CG-CG2 4.35Å
324Q40.3Very low37.9Very low27 Ų2791.6 Ų91.613%0.12653%0.53CS..EExtended strand (participates in β ladder)trans-109120.2172.5-60.5-167.256.100109.3V285 Q309 I322V285-Q324 HydrophobicContact CG1-CG 4.31Å; Q309-Q324 HydrophobicContact CB-CB 4.43Å; Q309-Q324 PolarHBondContact N-O 3.38Å; Q309-Q324 PolarHBondContact O-N 2.82Å; I322-Q324 HydrophobicContact CG2-CG 3.75Å
325V38.8Very low37.6Very low69 Ų6994.3 Ų94.342%0.41854%0.536SS..  trans-104.6116.4171.2-172.70000107.4Q308 Q323 M327Q308-V325 HydrophobicContact CG-CG1 4.45Å; Q308-V325 HydrophobicContact CG-CG2 4.04Å; Q323-V325 HydrophobicContact CG-CG2 4.35Å; V325-M327 HydrophobicContact CG1-CG 4.21Å
326T40.3Very low37.5Very low98 Ų9891.5 Ų91.560%0.60153%0.525SS*.  trans-88.8118.3173.1-560000107.8
327M36.8Very low36.8Very low88 Ų8896.3 Ų96.343%0.43353%0.531SS..  trans-105.4144175.4-62.2-139.7-62.600110.9Q283 V325 L333Q283-M327 PolarHBondContact NE2-O 3.42Å; V325-M327 HydrophobicContact CG1-CG 4.21Å; M327-L333 HydrophobicContact SD-CD1 4.41Å
328P37.3Very low36.5Very low99 Ų9995.7 Ų95.764%0.64353%0.526SS*.  trans-70.7142.6164.128-29.5000110G330P328-G330 PolarHBondContact O-N 3.38Å
329A35.9Very low36.1Very low106 Ų10698.5 Ų98.588%0.87654%0.543SS*.THydrogen-bonded Turntrans-60125.8-177.600000111.5
330G43.7Very low35.6Very low82 Ų82104.5 Ų104.585%0.84557%0.57SS**THydrogen-bonded Turntrans117.85.6166.900000117.9P328P328-G330 PolarHBondContact O-N 3.38Å
331Q38.5Very low34.9Very low141 Ų141107.6 Ų107.666%0.65960%0.599SS**  trans-99.5111.8169.3-77.3-167.85.600111.7
332E35.6Very low34.4Very low183 Ų183110.1 Ų110.186%0.85562%0.617SS**  trans-88.8110.9167.2-159-176.2118.900107.9T334E332-T334 PolarHBondContact O-N 3.17Å
333L37.4Very low34Very low106 Ų106116.1 Ų116.156%0.55565%0.65SS**  trans-82.3115.7175.1-98.7130.6000109.6M327 Q335M327-L333 HydrophobicContact SD-CD1 4.41Å; L333-Q335 VanDerWaalsContact CD2-O 3.29Å; L333-Q335 WeakPolarHBondContact CD2-O 3.29Å; L333-Q335 PolarHBondContact O-N 3.26Å
334T34.3Very low33.5Very low136 Ų136121.8 Ų121.883%0.83468%0.676SS**SBendtrans-74.50.7173.79.90000113.5E332E332-T334 PolarHBondContact O-N 3.17Å
335Q28.4Very low33.1Very low154 Ų154126.6 Ų126.672%0.7271%0.708SS**SBendtrans-149.3135171.7-68.6-165.987.700110.9L333L333-Q335 VanDerWaalsContact CD2-O 3.29Å; L333-Q335 WeakPolarHBondContact CD2-O 3.29Å; L333-Q335 PolarHBondContact O-N 3.26Å
336P32Very low32.6Very low66 Ų66127.8 Ų127.843%0.42973%0.725SS.*  trans-71.4132.9170.828.4-30.3000110.1M215 F338M215-P336 HydrophobicContact CE-CG 3.75Å; M215-P336 HydrophobicContact SD-CG 3.59Å; M215-P336 VanDerWaalsContact SD-CG 3.59Å; P336-F338 HydrophobicContact CG-CE2 3.85Å; P336-F338 HydrophobicContact CG-CZ 4.11Å; P336-F338 VanDerWaalsContact O-CD2 3.29Å; P336-F338 WeakPolarHBondContact O-CD2 3.29Å; P336-F338 PolarHBondContact O-N 3.3Å
337M28.6Very low32.2Very low168 Ų168130.6 Ų130.683%0.82874%0.736SS**  trans-74.9109.5171.4-167.4-176.7-64.400108.5
338F29.3Very low32Very low158 Ų158132.4 Ų132.469%0.69375%0.753SS**  trans-80.4140.9175.3-68.7-93000110.7P336P336-F338 HydrophobicContact CG-CE2 3.85Å; P336-F338 HydrophobicContact CG-CZ 4.11Å; P336-F338 VanDerWaalsContact O-CD2 3.29Å; P336-F338 WeakPolarHBondContact O-CD2 3.29Å; P336-F338 PolarHBondContact O-N 3.3Å
339I26.8Very low31.6Very low157 Ų157136.7 Ų136.781%0.80576%0.764SS**  trans-109.1116.7155-59.7-178.1000107.3
340Q26.1Very low31.5Very low168 Ų168137.7 Ų137.779%0.78576%0.759SS**PPolyproline II helixtrans-73.9129.3-172.4-159.7171.771.900110.3
341S25.5Very low30.7Very low115 Ų115139.4 Ų139.480%0.80475%0.753SS**PPolyproline II helixtrans-84.7121.5166.4-161.70000108.1
342T27Very low30.6Very low97 Ų97141.2 Ų141.260%0.59576%0.761SS**PPolyproline II helixtrans-101.8117.6168.755.60000108.9Q344T342-Q344 PolarHBondContact O-N 3.49Å
343N31.8Very low30.3Very low165 Ų165138.7 Ų138.788%0.88276%0.758SS**  trans-79.2102.6158.5-98-29.2000106.4
344Q28.6Very low30.2Very low175 Ų175139 Ų13982%0.81877%0.769SS**  trans-98.8101.9174.7-145176.1106.100109.6T342T342-Q344 PolarHBondContact O-N 3.49Å
345T31.8Very low30.1Very low127 Ų127138.9 Ų138.978%0.77977%0.768SS**  trans-66.7125.7157.7-45.40000107.3D347T345-D347 PolarHBondContact O-N 3.28Å; T345-D347 VanDerWaalsContact O-N 3.09Å
346A30Very low30.5Very low95 Ų95142.7 Ų142.779%0.78579%0.794SS**  trans-72102.2178.800000110.4
347D31.4Very low30.4Very low156 Ų156146.5 Ų146.583%0.83481%0.812SS**  trans-124.1100.1156.8-127.9-47.2000107.4T345 Q349T345-D347 PolarHBondContact O-N 3.28Å; T345-D347 VanDerWaalsContact O-N 3.09Å; D347-Q349 PolarHBondContact O-N 3.31Å
348T32.3Very low30.5Very low127 Ų127145.4 Ų145.478%0.77981%0.811SS**  trans-86.298.3177.735.90000110.1
349Q29.4Very low30.6Very low188 Ų188144.7 Ų144.788%0.87982%0.818SS**  trans-105.2118.3145.8-96.9-174.141.100108.8D347D347-Q349 PolarHBondContact O-N 3.31Å
350V32.2Very low30.8Very low127 Ų127143.9 Ų143.977%0.7782%0.819SS**  trans-82.7115175.7178.10000108.2
351T28.8Very low31.1Very low118 Ų118142.4 Ų142.472%0.72482%0.821SS**  trans-111.1107.7159.5-59.80000107.8
352Q34.4Very low31.5Very low179 Ų179144.3 Ų144.384%0.83682%0.822SS**  trans-64.1131.7166.2-78.1-178.7-16.800109.3
353V29.4Very low31.8Very low131 Ų131147.6 Ų147.679%0.79484%0.838SS**  trans-108.8117.6163.6-169.60000107.5
354S35.3Very low31.8Very low112 Ų112146.3 Ų146.378%0.78383%0.834SS**  trans-87.4136.6173.9-168.40000109.3
355T33.6Very low32Very low133 Ų133143.9 Ų143.982%0.81684%0.836SS**  trans178.1131.6156.544.50000105.7
356D36Very low32.1Very low234 Ų234145.5 Ų145.5100%1.25184%0.841SS**  cis-152.50-0.7175.3-113000105.5

Retrieved 356 of 356 residues in 295.7 ms (Link to these results)