G4V734_SCHMA Loading...

Guanine nucleotide-binding protein subunit alpha

Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems.

AlphaFold DB , UniProt , Accession G4V734, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 353 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
1M39.8Very low70.1Confident225 Ų225131.5 Ų131.5100%1.10865%0.648SS**  0910-160.3173.2-155.900107.1C3M1-C3 VanDerWaalsContact C-N 3.26Å; M1-C3 PolarHBondContact O-N 2.84Å
2F48.7Very low71.6Confident208 Ų208129.8 Ų129.891%0.91264%0.637SS**  trans-7289.7174.3-80.8-92.1000106.6C4F2-C4 VanDerWaalsContact C-N 3.26Å; F2-C4 PolarHBondContact O-N 2.94Å
3C52.8Low73.1Confident105 Ų105123.8 Ų123.871%0.70961%0.609SS**  trans-62.795.8170.8-93.50000107.3M1 R5M1-C3 VanDerWaalsContact C-N 3.26Å; M1-C3 PolarHBondContact O-N 2.84Å; C3-R5 PolarHBondContact O-N 3.18Å
4C57.2Low74.5Confident123 Ų123125.4 Ų125.483%0.83161%0.605SS**  trans-54.293.6162.5-65.70000106.8F2 S6F2-C4 VanDerWaalsContact C-N 3.26Å; F2-C4 PolarHBondContact O-N 2.94Å; C4-S6 PolarHBondContact O-N 2.78Å
5R61.5Low75.5Confident157 Ų157122.3 Ų122.359%0.59259%0.592SS**  trans-51.5125.7168.5-78.2173.6165.2-170.8-3.2106.2C3 Y9C3-R5 PolarHBondContact O-N 3.18Å; R5-Y9 HydrophobicContact CB-CD1 3.91Å; R5-Y9 VanDerWaalsContact CD-CE1 3.48Å; R5-Y9 HydrophobicContact CG-CD1 3.88Å; R5-Y9 HydrophobicContact CG-CE1 4.19Å; R5-Y9 VanDerWaalsContact CZ-CE1 3.44Å
6S77.6Confident76.6Confident59 Ų59119.2 Ų119.241%0.41358%0.579SS.*  trans-53.1145.8-179.557.20000109.3C4 E8 Y9 K10C4-S6 PolarHBondContact O-N 2.78Å; S6-E8 PolarHBondContact O-N 2.89Å; S6-E8 VanDerWaalsContact O-N 3.13Å; S6-Y9 WeakPolarHBondContact O-CB 3.48Å; S6-Y9 PolarHBondContact O-N 2.75Å; S6-Y9 PolarHBondContact OG-N 3.36Å; S6-K10 PolarHBondContact O-N 3.13Å
7E84.3Confident77.5Confident135 Ų135120.1 Ų120.163%0.63158%0.579SS**Hα-helixtrans-51.9-33.7173.9-74.4-61.9130.100111Y9 K10 E11E7-Y9 PolarHBondContact O-N 3.26Å; E7-K10 PolarHBondContact O-N 3.32Å; E7-K10 IonicContact OE1-NZ 2.75Å; E7-K10 PolarHBondContact OE1-NZ 3.48Å; E7-E11 PolarHBondContact O-N 3.43Å
8E84.4Confident78.4Confident156 Ų156120.3 Ų120.373%0.72958%0.579SS**Hα-helixtrans-56-44.8171-64.3175.216600113.5S6 K10 E11 Q12S6-E8 PolarHBondContact O-N 2.89Å; S6-E8 VanDerWaalsContact O-N 3.13Å; E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 3.02Å; E8-E11 PolarHBondContact O-N 2.88Å; E8-Q12 WeakPolarHBondContact O-CB 3.29Å; E8-Q12 PolarHBondContact O-N 2.82Å
9Y86.7Confident79Confident87 Ų87118.5 Ų118.534%0.34157%0.572SS.*Hα-helixtrans-68.6-33178.7-178.9-92.4000112.3R5 S6 E7 N13R5-Y9 HydrophobicContact CB-CD1 3.91Å; R5-Y9 VanDerWaalsContact CD-CE1 3.48Å; R5-Y9 HydrophobicContact CG-CD1 3.88Å; R5-Y9 HydrophobicContact CG-CE1 4.19Å; R5-Y9 VanDerWaalsContact CZ-CE1 3.44Å; S6-Y9 WeakPolarHBondContact O-CB 3.48Å; S6-Y9 PolarHBondContact O-N 2.75Å; S6-Y9 PolarHBondContact OG-N 3.36Å; E7-Y9 PolarHBondContact O-N 3.26Å; Y9-N13 VanDerWaalsContact CD1-ND2 3.29Å; Y9-N13 WeakPolarHBondContact CD1-ND2 3.5Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.39Å; Y9-N13 PolarHBondContact O-N 2.94Å; Y9-N13 PolarHBondContact O-ND2 3.48Å
10K87.9Confident79.5Confident112 Ų112119.2 Ų119.249%0.48757%0.574SS.*Hα-helixtrans-67.9-43.5173.4-67.3-179.8-169.61620110.7S6 E7 E8 N13 R14S6-K10 PolarHBondContact O-N 3.13Å; E7-K10 PolarHBondContact O-N 3.32Å; E7-K10 IonicContact OE1-NZ 2.75Å; E7-K10 PolarHBondContact OE1-NZ 3.48Å; E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 3.02Å; K10-N13 PolarHBondContact O-N 3.38Å; K10-R14 PolarHBondContact O-N 3.21Å
11E89.9Confident80.1Confident79 Ų79120.5 Ų120.537%0.36958%0.578SS.*Hα-helixtrans-66.8-43.3179.2-175.159.2-171.800111.9E7 E8 N13 R14 I15E7-E11 PolarHBondContact O-N 3.43Å; E8-E11 PolarHBondContact O-N 2.88Å; E11-N13 VanDerWaalsContact C-N 3.31Å; E11-N13 PolarHBondContact O-N 3.19Å; E11-R14 WeakPolarHBondContact O-CA 3.27Å; E11-R14 WeakPolarHBondContact O-CB 3.4Å; E11-R14 PolarHBondContact O-N 2.85Å; E11-R14 IonicContact OE1-CZ 3.52Å; E11-R14 IonicContact OE1-NE 2.68Å; E11-R14 PolarHBondContact OE1-NE 3.4Å; E11-R14 IonicContact OE1-NH2 2.74Å; E11-R14 PolarHBondContact OE1-NH2 3.08Å; E11-R14 IonicContact OE2-CZ 3.48Å; E11-R14 IonicContact OE2-NE 3.35Å; E11-R14 PolarHBondContact OE2-NE 2.74Å; E11-R14 IonicContact OE2-NH2 3.4Å; E11-R14 PolarHBondContact OE2-NH2 2.89Å; E11-I15 HydrophobicContact CG-CD1 4.04Å; E11-I15 WeakPolarHBondContact O-CG1 2.89Å; E11-I15 PolarHBondContact O-N 3.02Å
12Q89Confident82.3Confident112 Ų112114.2 Ų114.252%0.52355%0.545SS..Hα-helixtrans-58.9-41.2174.8-170.6-177.54.800112.1E8 R14 I15 N16E8-Q12 WeakPolarHBondContact O-CB 3.29Å; E8-Q12 PolarHBondContact O-N 2.82Å; Q12-R14 VanDerWaalsContact C-N 3.34Å; Q12-I15 PolarHBondContact O-N 3.33Å; Q12-N16 WeakPolarHBondContact O-CB 3.37Å; Q12-N16 PolarHBondContact O-N 3.46Å
13N90.6Very high84Confident51 Ų51108.8 Ų108.827%0.27353%0.525SS..Hα-helixtrans-68.4-31.9175-79.8-50.9000113.2Y9 K10 E11 K17Y9-N13 VanDerWaalsContact CD1-ND2 3.29Å; Y9-N13 WeakPolarHBondContact CD1-ND2 3.5Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.39Å; Y9-N13 PolarHBondContact O-N 2.94Å; Y9-N13 PolarHBondContact O-ND2 3.48Å; K10-N13 PolarHBondContact O-N 3.38Å; E11-N13 VanDerWaalsContact C-N 3.31Å; E11-N13 PolarHBondContact O-N 3.19Å; N13-K17 WeakPolarHBondContact O-CB 3.36Å; N13-K17 VanDerWaalsContact O-CG 3.27Å; N13-K17 WeakPolarHBondContact O-CG 3.36Å; N13-K17 PolarHBondContact O-N 2.92Å; N13-K17 VanDerWaalsContact O-N 3.08Å
14R92Very high85.4Confident147 Ų147111.7 Ų111.756%0.55553%0.526SS*.Hα-helixtrans-65.7-49.8174.7-170.5177.876.4117.55.1110K10 E11 Q12 K17 E18K10-R14 PolarHBondContact O-N 3.21Å; E11-R14 WeakPolarHBondContact O-CA 3.27Å; E11-R14 WeakPolarHBondContact O-CB 3.4Å; E11-R14 PolarHBondContact O-N 2.85Å; E11-R14 IonicContact OE1-CZ 3.52Å; E11-R14 IonicContact OE1-NE 2.68Å; E11-R14 PolarHBondContact OE1-NE 3.4Å; E11-R14 IonicContact OE1-NH2 2.74Å; E11-R14 PolarHBondContact OE1-NH2 3.08Å; E11-R14 IonicContact OE2-CZ 3.48Å; E11-R14 IonicContact OE2-NE 3.35Å; E11-R14 PolarHBondContact OE2-NE 2.74Å; E11-R14 IonicContact OE2-NH2 3.4Å; E11-R14 PolarHBondContact OE2-NH2 2.89Å; Q12-R14 VanDerWaalsContact C-N 3.34Å; R14-K17 PolarHBondContact O-N 3.34Å; R14-E18 PolarHBondContact O-N 3.04Å
15I90.8Very high86.5Confident79 Ų79113.4 Ų113.441%0.40552%0.515SS..Hα-helixtrans-59.4-49.1176.7-65.4167.8000110.6E11 Q12 K17 E18 I19E11-I15 HydrophobicContact CG-CD1 4.04Å; E11-I15 WeakPolarHBondContact O-CG1 2.89Å; E11-I15 PolarHBondContact O-N 3.02Å; Q12-I15 PolarHBondContact O-N 3.33Å; I15-K17 VanDerWaalsContact C-N 3.35Å; I15-K17 PolarHBondContact O-N 3.08Å; I15-E18 WeakPolarHBondContact O-CB 3.49Å; I15-E18 PolarHBondContact O-N 3.37Å; I15-E18 VanDerWaalsContact O-N 3.08Å; I15-I19 HydrophobicContact CG2-CD1 3.71Å; I15-I19 HydrophobicContact CG2-CG1 4.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.38Å; I15-I19 PolarHBondContact O-N 2.9Å
16N92.1Very high87.3Confident72 Ų72109.4 Ų109.439%0.38551%0.505SS..Hα-helixtrans-59.4-43.1178.8-79.5-10.2000112.5Q12 E18 I19 E20Q12-N16 WeakPolarHBondContact O-CB 3.37Å; Q12-N16 PolarHBondContact O-N 3.46Å; N16-E18 VanDerWaalsContact C-N 3.28Å; N16-E18 PolarHBondContact O-N 2.86Å; N16-I19 PolarHBondContact O-N 3.29Å; N16-E20 WeakPolarHBondContact O-CB 3.48Å; N16-E20 WeakPolarHBondContact O-CG 3.28Å; N16-E20 PolarHBondContact O-N 3.41Å
17K92.4Very high87.2Confident135 Ų135113.8 Ų113.859%0.58752%0.517SS*.Hα-helixtrans-65-33176.1-77176.4179.3-179.20112.7N13 R14 I15 K21N13-K17 WeakPolarHBondContact O-CB 3.36Å; N13-K17 VanDerWaalsContact O-CG 3.27Å; N13-K17 WeakPolarHBondContact O-CG 3.36Å; N13-K17 PolarHBondContact O-N 2.92Å; N13-K17 VanDerWaalsContact O-N 3.08Å; R14-K17 PolarHBondContact O-N 3.34Å; I15-K17 VanDerWaalsContact C-N 3.35Å; I15-K17 PolarHBondContact O-N 3.08Å; K17-K21 WeakPolarHBondContact O-CB 3.44Å; K17-K21 VanDerWaalsContact O-CG 3.28Å; K17-K21 WeakPolarHBondContact O-CG 3.34Å; K17-K21 PolarHBondContact O-N 3.07Å
18E92.7Very high86.6Confident123 Ų123113.2 Ų113.258%0.57551%0.512SS*.Hα-helixtrans-71.9-42.9176.6-168.1156.3-156.100111.1R14 I15 N16 K21 Q22R14-E18 PolarHBondContact O-N 3.04Å; I15-E18 WeakPolarHBondContact O-CB 3.49Å; I15-E18 PolarHBondContact O-N 3.37Å; I15-E18 VanDerWaalsContact O-N 3.08Å; N16-E18 VanDerWaalsContact C-N 3.28Å; N16-E18 PolarHBondContact O-N 2.86Å; E18-K21 PolarHBondContact O-N 3.36Å; E18-Q22 WeakPolarHBondContact O-CB 3.42Å; E18-Q22 PolarHBondContact O-N 2.87Å
19I90.5Very high85.9Confident86 Ų86109.8 Ų109.844%0.44150%0.499SS..Hα-helixtrans-58.7-48.2171.3-66.8168.9000110.7I15 N16 K21 Q22 L23I15-I19 HydrophobicContact CG2-CD1 3.71Å; I15-I19 HydrophobicContact CG2-CG1 4.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.38Å; I15-I19 PolarHBondContact O-N 2.9Å; N16-I19 PolarHBondContact O-N 3.29Å; I19-K21 VanDerWaalsContact C-N 3.34Å; I19-K21 PolarHBondContact O-N 3Å; I19-Q22 PolarHBondContact O-N 2.82Å; I19-L23 HydrophobicContact CG2-CD1 3.82Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.29Å; I19-L23 VanDerWaalsContact O-CG 3.29Å; I19-L23 WeakPolarHBondContact O-CG 3.4Å; I19-L23 PolarHBondContact O-N 3.18Å
20E90Very high85Confident133 Ų133108.7 Ų108.762%0.62151%0.508SS*.Hα-helixtrans-61.3-40.4178.1-77.1179178.600112.6N16 K24N16-E20 WeakPolarHBondContact O-CB 3.48Å; N16-E20 WeakPolarHBondContact O-CG 3.28Å; N16-E20 PolarHBondContact O-N 3.41Å; E20-K24 WeakPolarHBondContact O-CB 3.45Å; E20-K24 PolarHBondContact O-N 3.4Å
21K90.6Very high84.3Confident147 Ų147111.4 Ų111.464%0.63952%0.515SS*.Hα-helixtrans-64.5-41.6174.8-79.7175.8-178.4179.30111.5K17 E18 I19 K24 R25K17-K21 WeakPolarHBondContact O-CB 3.44Å; K17-K21 VanDerWaalsContact O-CG 3.28Å; K17-K21 WeakPolarHBondContact O-CG 3.34Å; K17-K21 PolarHBondContact O-N 3.07Å; E18-K21 PolarHBondContact O-N 3.36Å; I19-K21 VanDerWaalsContact C-N 3.34Å; I19-K21 PolarHBondContact O-N 3Å; K21-K24 PolarHBondContact O-N 2.82Å; K21-R25 WeakPolarHBondContact O-CG 3.39Å; K21-R25 PolarHBondContact O-N 2.8Å; K21-R25 VanDerWaalsContact O-N 3.11Å
22Q86.6Confident83.8Confident93 Ų93113 Ų11344%0.43552%0.518SS..Hα-helixtrans-65.1-49.5177.6-169.259.632.200110.5E18 I19 K24 R25 D26E18-Q22 WeakPolarHBondContact O-CB 3.42Å; E18-Q22 PolarHBondContact O-N 2.87Å; I19-Q22 PolarHBondContact O-N 2.82Å; Q22-K24 PolarHBondContact O-N 3.42Å; Q22-R25 CarbonylContact O-C 3.55Å; Q22-R25 WeakPolarHBondContact O-CA 3.44Å; Q22-R25 WeakPolarHBondContact O-CB 3.32Å; Q22-R25 PolarHBondContact O-N 3.19Å; Q22-D26 PolarHBondContact NE2-OD1 3.11Å; Q22-D26 PolarHBondContact O-N 3.36Å
23L84.1Confident83.9Confident93 Ų93110.7 Ų110.749%0.48751%0.507SS..Hα-helixtrans-56.4-37.1175.5-72.1172.2000112.8I19 K27I19-L23 HydrophobicContact CG2-CD1 3.82Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.29Å; I19-L23 VanDerWaalsContact O-CG 3.29Å; I19-L23 WeakPolarHBondContact O-CG 3.4Å; I19-L23 PolarHBondContact O-N 3.18Å; L23-K27 VanDerWaalsContact O-CB 3.32Å; L23-K27 WeakPolarHBondContact O-CB 3.43Å; L23-K27 VanDerWaalsContact O-CG 3.28Å; L23-K27 WeakPolarHBondContact O-CG 3.44Å; L23-K27 PolarHBondContact O-N 2.95Å
24K82Confident84Confident167 Ų167108.7 Ų108.773%0.72650%0.496SS*.Hα-helixtrans-70.1-34.4176.4-170175.8-179.4177.60112.4E20 K21 Q22 K28E20-K24 WeakPolarHBondContact O-CB 3.45Å; E20-K24 PolarHBondContact O-N 3.4Å; K21-K24 PolarHBondContact O-N 2.82Å; Q22-K24 PolarHBondContact O-N 3.42Å; K24-K28 PolarHBondContact O-N 3.25Å
25R79.9Confident84.1Confident158 Ų158103 Ų10360%0.59648%0.476SS*.Hα-helixtrans-69.8-50.3173-72.4174.4177.5177.2-3.4110.3K21 Q22 K27 K28 D29K21-R25 WeakPolarHBondContact O-CG 3.39Å; K21-R25 PolarHBondContact O-N 2.8Å; K21-R25 VanDerWaalsContact O-N 3.11Å; Q22-R25 CarbonylContact O-C 3.55Å; Q22-R25 WeakPolarHBondContact O-CA 3.44Å; Q22-R25 WeakPolarHBondContact O-CB 3.32Å; Q22-R25 PolarHBondContact O-N 3.19Å; R25-K27 VanDerWaalsContact C-N 3.29Å; R25-K27 PolarHBondContact O-N 2.92Å; R25-K28 CarbonylContact O-C 3.5Å; R25-K28 WeakPolarHBondContact O-CA 3.28Å; R25-K28 WeakPolarHBondContact O-CB 3.35Å; R25-K28 PolarHBondContact O-N 2.85Å; R25-D29 PolarHBondContact O-N 3.32Å
26D78.4Confident84.4Confident74 Ų7499.3 Ų99.340%0.39646%0.456SS..Hα-helixtrans-57.5-41.7178.2-58.8-14.5000111.3Q22 K28 D29 A30Q22-D26 PolarHBondContact NE2-OD1 3.11Å; Q22-D26 PolarHBondContact O-N 3.36Å; D26-K28 VanDerWaalsContact C-N 3.32Å; D26-K28 PolarHBondContact O-N 3.28Å; D26-D29 PolarHBondContact O-N 3.48Å; D26-A30 WeakPolarHBondContact O-CB 3.32Å; D26-A30 PolarHBondContact O-N 2.87Å
27K75.3Confident84.7Confident150 Ų15095.9 Ų95.965%0.65244%0.438SS*.Hα-helixtrans-63.4-34.6173-80.1-177.8-179.6-174.60113.5L23 R25 R31L23-K27 VanDerWaalsContact O-CB 3.32Å; L23-K27 WeakPolarHBondContact O-CB 3.43Å; L23-K27 VanDerWaalsContact O-CG 3.28Å; L23-K27 WeakPolarHBondContact O-CG 3.44Å; L23-K27 PolarHBondContact O-N 2.95Å; R25-K27 VanDerWaalsContact C-N 3.29Å; R25-K27 PolarHBondContact O-N 2.92Å; K27-R31 VanDerWaalsContact O-CG 3.32Å; K27-R31 WeakPolarHBondContact O-CG 3.16Å; K27-R31 PolarHBondContact O-N 2.79Å
28K73Confident85Confident124 Ų12489.4 Ų89.454%0.53941%0.41SS..Hα-helixtrans-73.7-38.8178.1-174.1-174.8175.6-172.40110.8K24 R25 D26 R31K24-K28 PolarHBondContact O-N 3.25Å; R25-K28 CarbonylContact O-C 3.5Å; R25-K28 WeakPolarHBondContact O-CA 3.28Å; R25-K28 WeakPolarHBondContact O-CB 3.35Å; R25-K28 PolarHBondContact O-N 2.85Å; D26-K28 VanDerWaalsContact C-N 3.32Å; D26-K28 PolarHBondContact O-N 3.28Å; K28-R31 PolarHBondContact O-N 3.42Å
29D69.7Low85.2Confident84 Ų8483.6 Ų83.645%0.44938%0.383SS..Hα-helixtrans-74.2-39.8179.7-63.4-20.9000110.7R25 D26 R31 R32 E33R25-D29 PolarHBondContact O-N 3.32Å; D26-D29 PolarHBondContact O-N 3.48Å; D29-R31 VanDerWaalsContact C-N 3.25Å; D29-R31 PolarHBondContact O-N 2.87Å; D29-R32 WeakPolarHBondContact O-CA 3.39Å; D29-R32 WeakPolarHBondContact O-CB 3.44Å; D29-R32 PolarHBondContact O-N 3.02Å; D29-E33 PolarHBondContact O-N 3.23Å
30A68.5Low85.5Confident64 Ų6479.5 Ų79.553%0.52936%0.362SS..Hα-helixtrans-59.5-33.7172.300000112.7D26 R32 E33D26-A30 WeakPolarHBondContact O-CB 3.32Å; D26-A30 PolarHBondContact O-N 2.87Å; A30-R32 PolarHBondContact O-N 3.25Å; A30-E33 PolarHBondContact O-N 3.26Å
31R71.5Confident85.8Confident168 Ų16873.3 Ų73.363%0.63433%0.333SS*.THydrogen-bonded Turntrans-67.7-14.6173.1-77.7176.3-179.9-164.3-2.8114K27 K28 D29 Y350K27-R31 VanDerWaalsContact O-CG 3.32Å; K27-R31 WeakPolarHBondContact O-CG 3.16Å; K27-R31 PolarHBondContact O-N 2.79Å; K28-R31 PolarHBondContact O-N 3.42Å; D29-R31 VanDerWaalsContact C-N 3.25Å; D29-R31 PolarHBondContact O-N 2.87Å; R31-Y350 HydrophobicContact CG-CE1 4.07Å
32R81Confident85.9Confident114 Ų11466.9 Ų66.943%0.4331%0.308SS..THydrogen-bonded Turntrans-101.1-7.7177.4-64.1174.7171.5-164.9-11.1112.2D29 A30 I193 I194D29-R32 WeakPolarHBondContact O-CA 3.39Å; D29-R32 WeakPolarHBondContact O-CB 3.44Å; D29-R32 PolarHBondContact O-N 3.02Å; A30-R32 PolarHBondContact O-N 3.25Å; R32-I193 WeakPolarHBondContact O-CA 3.34Å; R32-I193 WeakPolarHBondContact O-CG2 3.12Å; R32-I194 PolarHBondContact O-N 2.79Å
33E90.1Very high86.3Confident63 Ų6364.4 Ų64.429%0.29430%0.297SS..EExtended strand (participates in β ladder)trans-101.6124.7-178.8-166.4-177.911500110.2D29 A30 I194 R196D29-E33 PolarHBondContact O-N 3.23Å; A30-E33 PolarHBondContact O-N 3.26Å; E33-I194 CarbonylContact C-O 3.57Å; E33-I194 VanDerWaalsContact CA-O 3.3Å; E33-I194 WeakPolarHBondContact CA-O 3.24Å; E33-I194 HydrophobicContact CB-CB 4.48Å; E33-I194 HydrophobicContact CG-CB 4.25Å; E33-I194 HydrophobicContact CG-CG2 4.16Å; E33-R196 VanDerWaalsContact CD-NH2 3.27Å; E33-R196 HydrophobicContact CG-CB 4.32Å; E33-R196 IonicContact OE1-CZ 2.87Å; E33-R196 VanDerWaalsContact OE1-CZ 3.27Å; E33-R196 IonicContact OE1-NE 3.84Å; E33-R196 PolarHBondContact OE1-NE 2.89Å; E33-R196 IonicContact OE1-NH2 3.46Å; E33-R196 PolarHBondContact OE1-NH2 3.43Å; E33-R196 IonicContact OE2-CZ 2.88Å; E33-R196 IonicContact OE2-NE 3.6Å; E33-R196 IonicContact OE2-NH2 2.82Å; E33-R196 PolarHBondContact OE2-NH2 2.97Å
34L92.7Very high86.9Confident9 Ų960 Ų605%0.04727%0.274CS..EExtended strand (participates in β ladder)trans-114119.1177.7-55.1178000108.5I193 I194 F195 R196 T218 I342 L343L34-I193 HydrophobicContact CD1-CG2 3.6Å; L34-I193 HydrophobicContact CG-CG2 3.87Å; L34-I194 PolarHBondContact N-O 2.68Å; L34-F195 HydrophobicContact CB-CD1 4.13Å; L34-F195 HydrophobicContact CB-CE1 4.2Å; L34-F195 HydrophobicContact CD1-CD1 4.46Å; L34-F195 HydrophobicContact CD1-CE1 3.75Å; L34-F195 HydrophobicContact CD1-CZ 3.92Å; L34-R196 PolarHBondContact O-N 2.97Å; L34-T218 HydrophobicContact CB-CG2 4.32Å; L34-T218 HydrophobicContact CD2-CG2 3.99Å; L34-I342 HydrophobicContact CD1-CG2 3.86Å; L34-L343 HydrophobicContact CD1-CD2 3.68Å
35K95.1Very high87.6Confident28 Ų2852.5 Ų52.512%0.12224%0.244CC..EExtended strand (participates in β ladder)trans-91114.1-179.3-175.8177.7175.3-175.70110R196 V198 C213 E215 S216 V217 T218 S219K35-R196 CarbonylContact C-O 3.57Å; K35-R196 WeakPolarHBondContact CA-O 3.41Å; K35-V198 HydrophobicContact CG-CG2 4.16Å; K35-C213 VanDerWaalsContact CE-O 3.28Å; K35-C213 WeakPolarHBondContact CE-O 3.3Å; K35-C213 PolarHBondContact NZ-O 3.27Å; K35-E215 PolarHBondContact NZ-O 3.28Å; K35-S216 WeakPolarHBondContact CB-O 3.47Å; K35-V217 HydrophobicContact CD-CG2 4.21Å; K35-T218 PolarHBondContact N-OG1 3.06Å; K35-T218 WeakPolarHBondContact O-CB 3.35Å; K35-T218 PolarHBondContact O-N 3.28Å; K35-S219 PolarHBondContact O-N 3.41Å
36L96.6Very high88.4Confident0 Ų045.4 Ų45.40%022%0.217CC..EExtended strand (participates in β ladder)trans-104.9117.1178.3-51.8-176.7000109.6F195 R196 M197 V198 S219 M221 F335 I342L36-F195 HydrophobicContact CD1-CB 4.4Å; L36-F195 HydrophobicContact CD1-CD1 3.44Å; L36-F195 VanDerWaalsContact CD1-CD1 3.44Å; L36-F195 HydrophobicContact CD1-CE1 4.14Å; L36-F195 HydrophobicContact CD1-CG 4.32Å; L36-F195 HydrophobicContact CD2-CD1 4.31Å; L36-F195 HydrophobicContact CG-CD1 3.94Å; L36-R196 PolarHBondContact N-O 3.47Å; L36-M197 HydrophobicContact CB-CG 4.2Å; L36-M197 HydrophobicContact CD1-CE 3.62Å; L36-M197 HydrophobicContact CD1-CG 4.09Å; L36-M197 CarbonylContact O-C 3.47Å; L36-M197 WeakPolarHBondContact O-CA 3.44Å; L36-V198 PolarHBondContact O-N 3.44Å; L36-S219 WeakPolarHBondContact CA-O 3.43Å; L36-M221 HydrophobicContact CB-SD 4.2Å; L36-M221 HydrophobicContact CD1-CE 3.57Å; L36-M221 HydrophobicContact CD1-SD 4.04Å; L36-M221 HydrophobicContact CG-CE 4.47Å; L36-F335 HydrophobicContact CD1-CE2 4.43Å; L36-I342 HydrophobicContact CD1-CD1 4.41Å; L36-I342 HydrophobicContact CD2-CD1 3.7Å
37L97.8Very high89.3Confident0 Ų043.4 Ų43.40%021%0.209CC..EExtended strand (participates in β ladder)trans-99.5115.2179.5-179.757.1000110.2L39 V198 V200 C213 F214 V217 S219 M221 F258L37-L39 HydrophobicContact CD1-CD2 4.21Å; L37-L39 HydrophobicContact CD2-CD1 3.96Å; L37-L39 HydrophobicContact CD2-CD2 4.2Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD1 4.13Å; L37-L39 HydrophobicContact CG-CD2 3.99Å; L37-L39 HydrophobicContact CG-CG 3.88Å; L37-V198 HydrophobicContact CD1-CB 3.82Å; L37-V198 HydrophobicContact CD1-CG1 3.81Å; L37-V200 HydrophobicContact CD1-CG1 4.44Å; L37-C213 HydrophobicContact CD1-CB 4.45Å; L37-C213 WeakPolarHBondContact CD1-SG 3.24Å; L37-F214 HydrophobicContact CD2-CD1 3.74Å; L37-F214 HydrophobicContact CD2-CE1 3.85Å; L37-V217 HydrophobicContact CB-CG1 3.75Å; L37-V217 HydrophobicContact CB-CG2 4.03Å; L37-V217 HydrophobicContact CD2-CG2 3.99Å; L37-S219 PolarHBondContact N-O 2.78Å; L37-M221 PolarHBondContact O-N 2.77Å; L37-F258 HydrophobicContact CD2-CE1 3.88Å; L37-F258 HydrophobicContact CD2-CZ 3.7Å
38L98Very high90.4Very high0 Ų037.5 Ų37.50%019%0.186CC..EExtended strand (participates in β ladder)trans-88.1118.3179-74.575.2000110K46 F49 I50 M197 V198 V200 M221 L223L38-K46 HydrophobicContact CB-CB 4.38Å; L38-K46 HydrophobicContact CB-CD 4.23Å; L38-K46 HydrophobicContact CB-CG 4.26Å; L38-K46 HydrophobicContact CD2-CB 4.3Å; L38-K46 WeakPolarHBondContact O-CD 3.41Å; L38-F49 HydrophobicContact CD2-CB 4.49Å; L38-F49 HydrophobicContact CD2-CD1 4.09Å; L38-I50 HydrophobicContact CD1-CD1 4.02Å; L38-I50 HydrophobicContact CD2-CD1 3.58Å; L38-I50 HydrophobicContact CD2-CG1 3.79Å; L38-I50 HydrophobicContact CG-CD1 4.47Å; L38-M197 HydrophobicContact CD1-CB 4.04Å; L38-M197 HydrophobicContact CD1-CG 4.38Å; L38-V198 PolarHBondContact N-O 2.99Å; L38-V200 WeakPolarHBondContact O-CG2 3.34Å; L38-M221 CarbonylContact C-O 3.53Å; L38-M221 WeakPolarHBondContact CA-O 3.37Å; L38-M221 HydrophobicContact CD1-SD 4.3Å; L38-M221 HydrophobicContact CG-CB 4.21Å; L38-L223 HydrophobicContact CB-CD1 4.41Å; L38-L223 HydrophobicContact CD2-CD1 4.42Å; L38-L223 HydrophobicContact CG-CD1 4.42Å
39L97.7Very high91.5Very high0 Ų031.7 Ų31.70%016%0.16CC..EExtended strand (participates in β ladder)trans-125.9163.6-177.6-62.7175.2000111.5L37 V200 W210 I220 M221 F222 L223 I252 F258L37-L39 HydrophobicContact CD1-CD2 4.21Å; L37-L39 HydrophobicContact CD2-CD1 3.96Å; L37-L39 HydrophobicContact CD2-CD2 4.2Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD1 4.13Å; L37-L39 HydrophobicContact CG-CD2 3.99Å; L37-L39 HydrophobicContact CG-CG 3.88Å; L39-V200 HydrophobicContact CD2-CG2 3.79Å; L39-W210 HydrophobicContact CD2-CD2 3.89Å; L39-W210 HydrophobicContact CD2-CE3 3.71Å; L39-W210 HydrophobicContact CD2-CG 4.49Å; L39-W210 HydrophobicContact CD2-CH2 4.2Å; L39-W210 HydrophobicContact CD2-CZ2 4.36Å; L39-W210 HydrophobicContact CD2-CZ3 3.87Å; L39-I220 HydrophobicContact CD1-CG2 3.98Å; L39-I220 HydrophobicContact CG-CG2 4.5Å; L39-M221 PolarHBondContact N-O 3.13Å; L39-F222 HydrophobicContact CB-CD2 3.74Å; L39-F222 HydrophobicContact CB-CE2 4.17Å; L39-F222 WeakPolarHBondContact O-CA 3.39Å; L39-L223 PolarHBondContact O-N 3.27Å; L39-I252 HydrophobicContact CD1-CB 4.48Å; L39-I252 HydrophobicContact CD1-CD1 3.84Å; L39-I252 HydrophobicContact CD1-CG1 3.98Å; L39-I252 HydrophobicContact CD1-CG2 3.63Å; L39-F258 HydrophobicContact CD1-CE2 4.5Å; L39-F258 HydrophobicContact CD1-CZ 4.46Å
40G97.1Very high92.8Very high0 Ų027.8 Ų27.80%014%0.139CC..  trans137.6168.7-179.600000112K46 G202G40-K46 PolarHBondContact O-NZ 3.33Å; G40-G202 WeakPolarHBondContact O-CA 3.38Å
41T95.7Very high94.2Very high4 Ų426.1 Ų26.13%0.02512%0.12CC..SBendtrans-59.4165.3179.754.40000112.3E43 S44 K46 E244 L248T41-E43 PolarHBondContact O-N 3.18Å; T41-S44 PolarHBondContact O-N 3.4Å; T41-S44 PolarHBondContact O-OG 3.24Å; T41-K46 PolarHBondContact O-NZ 2.83Å; T41-E244 HydrophobicContact CG2-CG 4.06Å; T41-L248 HydrophobicContact CG2-CD2 4.1Å
42G93.4Very high95.5Very high11 Ų1118.1 Ų18.111%0.1139%0.09CC..THydrogen-bonded Turntrans-52.9143.7167.200000109.6S44 G202 R241G42-S44 PolarHBondContact O-N 2.84Å; G42-S44 VanDerWaalsContact O-N 3.14Å; G42-G202 PolarHBondContact N-O 3.18Å; G42-R241 PolarHBondContact O-NH2 2.66Å
43E94Very high96.2Very high42 Ų4212.7 Ų12.720%0.1967%0.069CC..THydrogen-bonded Turntrans701.7177-17.6-149.28700117.9T41 G45 R177 R241 K269T41-E43 PolarHBondContact O-N 3.18Å; E43-G45 PolarHBondContact O-N 2.89Å; E43-G45 VanDerWaalsContact O-N 3.09Å; E43-R177 VanDerWaalsContact CG-NH2 3.32Å; E43-R177 IonicContact OE1-CZ 2.71Å; E43-R177 IonicContact OE1-NE 3.13Å; E43-R177 PolarHBondContact OE1-NE 3.37Å; E43-R177 IonicContact OE1-NH1 2.7Å; E43-R177 PolarHBondContact OE1-NH1 3.39Å; E43-R177 IonicContact OE1-NH2 3.84Å; E43-R177 PolarHBondContact OE1-NH2 2.86Å; E43-R241 VanDerWaalsContact CG-NH2 3.29Å; E43-R241 IonicContact OE2-CZ 2.66Å; E43-R241 IonicContact OE2-NH1 3.75Å; E43-R241 PolarHBondContact OE2-NH1 3.02Å; E43-R241 IonicContact OE2-NH2 3.79Å; E43-R241 PolarHBondContact OE2-NH2 2.74Å; E43-K269 WeakPolarHBondContact O-CE 3.23Å; E43-K269 PolarHBondContact O-NZ 2.83Å
44S96.8Very high96.5Very high0 Ų012.8 Ų12.80%07%0.067CC..SBendtrans-64.5-16.5176.467.90000115.1T41 G42 K46 L223 N268T41-S44 PolarHBondContact O-N 3.4Å; T41-S44 PolarHBondContact O-OG 3.24Å; G42-S44 PolarHBondContact O-N 2.84Å; G42-S44 VanDerWaalsContact O-N 3.14Å; S44-K46 PolarHBondContact OG-NZ 2.9Å; S44-L223 WeakPolarHBondContact CB-O 3.25Å; S44-L223 WeakPolarHBondContact OG-CB 3Å; S44-L223 PolarHBondContact OG-O 3.42Å; S44-N268 PolarHBondContact O-ND2 2.82Å
45G96.8Very high96.7Very high9 Ų914 Ų149%0.0937%0.073CC..SBendtrans11012175.700000115.9E43 T48 F49E43-G45 PolarHBondContact O-N 2.89Å; E43-G45 VanDerWaalsContact O-N 3.09Å; G45-T48 WeakPolarHBondContact O-CB 3.45Å; G45-T48 PolarHBondContact O-N 3.41Å; G45-F49 PolarHBondContact O-N 3.3Å
46K97.1Very high96.7Very high10 Ų1013.7 Ų13.74%0.0437%0.073CC..Hα-helixtrans-53.9-57.5-177.9-64.9-178.2-68.2-67.20112.9L38 G40 T41 S44 T48 F49 I50 D199 V200 L223L38-K46 HydrophobicContact CB-CB 4.38Å; L38-K46 HydrophobicContact CB-CD 4.23Å; L38-K46 HydrophobicContact CB-CG 4.26Å; L38-K46 HydrophobicContact CD2-CB 4.3Å; L38-K46 WeakPolarHBondContact O-CD 3.41Å; G40-K46 PolarHBondContact O-NZ 3.33Å; T41-K46 PolarHBondContact O-NZ 2.83Å; S44-K46 PolarHBondContact OG-NZ 2.9Å; K46-T48 PolarHBondContact O-N 3.17Å; K46-F49 WeakPolarHBondContact O-CA 3.43Å; K46-F49 VanDerWaalsContact O-CB 3.29Å; K46-F49 WeakPolarHBondContact O-CB 3.42Å; K46-F49 PolarHBondContact O-N 3.44Å; K46-I50 PolarHBondContact O-N 2.71Å; K46-D199 WeakPolarHBondContact CB-OD1 3.41Å; K46-V200 WeakPolarHBondContact CE-O 3.48Å; K46-L223 HydrophobicContact CB-CD1 4.49Å; K46-L223 HydrophobicContact CG-CB 4.3Å; K46-L223 HydrophobicContact CG-CD1 3.74Å; K46-L223 HydrophobicContact CG-CD2 4.44Å; K46-L223 HydrophobicContact CG-CG 4.35Å
47S97.2Very high96.6Very high31 Ų3116.9 Ų16.922%0.2179%0.087CC..Hα-helixtrans-65.8-29.8-179.6-46.70000112I50 K51 T180 D199S47-I50 PolarHBondContact O-N 3.05Å; S47-K51 WeakPolarHBondContact O-CG 3.28Å; S47-K51 PolarHBondContact O-N 2.7Å; S47-T180 PolarHBondContact OG-OG1 3.35Å; S47-D199 WeakPolarHBondContact CA-OD2 3.5Å; S47-D199 WeakPolarHBondContact CB-OD2 3.41Å; S47-D199 PolarHBondContact OG-OD2 3.19Å
48T97.6Very high96.3Very high27 Ų2718.7 Ų18.717%0.16611%0.107CC..Hα-helixtrans-65.4-41.1172.3-53.80000111.3G45 K46 I50 K51 Q52 L174 A325 T326G45-T48 WeakPolarHBondContact O-CB 3.45Å; G45-T48 PolarHBondContact O-N 3.41Å; K46-T48 PolarHBondContact O-N 3.17Å; T48-I50 PolarHBondContact O-N 3.33Å; T48-K51 WeakPolarHBondContact O-CB 3.38Å; T48-K51 PolarHBondContact O-N 3.1Å; T48-Q52 WeakPolarHBondContact O-CG 3.05Å; T48-Q52 PolarHBondContact O-N 2.97Å; T48-L174 HydrophobicContact CG2-CB 4.35Å; T48-L174 HydrophobicContact CG2-CD2 3.96Å; T48-L174 WeakPolarHBondContact CG2-O 3.31Å; T48-L174 PolarHBondContact OG1-O 2.89Å; T48-A325 HydrophobicContact CG2-CB 3.64Å; T48-A325 WeakPolarHBondContact CG2-O 3.49Å; T48-T326 HydrophobicContact CG2-CG2 4.49Å
49F97.7Very high96Very high1 Ų124 Ų240%0.00415%0.151CC..Hα-helixtrans-60.2-44.2173.3-170.5-89.8000111.7L38 G45 K46 K51 Q52 M53 M197 M221 L223 F266 I331 F335L38-F49 HydrophobicContact CD2-CB 4.49Å; L38-F49 HydrophobicContact CD2-CD1 4.09Å; G45-F49 PolarHBondContact O-N 3.3Å; K46-F49 WeakPolarHBondContact O-CA 3.43Å; K46-F49 VanDerWaalsContact O-CB 3.29Å; K46-F49 WeakPolarHBondContact O-CB 3.42Å; K46-F49 PolarHBondContact O-N 3.44Å; F49-K51 PolarHBondContact O-N 3Å; F49-Q52 WeakPolarHBondContact O-CB 3.45Å; F49-Q52 PolarHBondContact O-N 3.16Å; F49-Q52 VanDerWaalsContact O-N 3.13Å; F49-M53 HydrophobicContact CD1-CG 4.1Å; F49-M53 HydrophobicContact CE1-CG 3.93Å; F49-M53 HydrophobicContact CE1-SD 4.21Å; F49-M53 WeakPolarHBondContact O-CG 3.48Å; F49-M53 PolarHBondContact O-N 3.25Å; F49-M197 HydrophobicContact CE1-CE 4.16Å; F49-M221 HydrophobicContact CE1-SD 4.2Å; F49-L223 HydrophobicContact CB-CD2 4.26Å; F49-F266 HydrophobicContact CE2-CE1 4.39Å; F49-F266 AromaticContact CE2-CE2 3.97Å; F49-F266 HydrophobicContact CE2-CE2 3.97Å; F49-F266 AromaticContact CE2-CZ 3.86Å; F49-F266 HydrophobicContact CE2-CZ 3.86Å; F49-F266 AromaticContact CZ-CE2 3.93Å; F49-F266 HydrophobicContact CZ-CE2 3.93Å; F49-F266 AromaticContact CZ-CZ 3.84Å; F49-F266 HydrophobicContact CZ-CZ 3.84Å; F49-I331 HydrophobicContact CD2-CD1 3.99Å; F49-I331 HydrophobicContact CD2-CG2 4.19Å; F49-I331 HydrophobicContact CE2-CD1 4.11Å; F49-I331 HydrophobicContact CE2-CG2 3.95Å; F49-F335 HydrophobicContact CE1-CD2 4.21Å; F49-F335 HydrophobicContact CZ-CB 4.49Å; F49-F335 AromaticContact CZ-CD2 3.82Å; F49-F335 HydrophobicContact CZ-CD2 3.82Å
50I97Very high95.9Very high3 Ų324.6 Ų24.62%0.01516%0.157CC..Hα-helixtrans-61.4-42.5174-62.2-60.2000112L38 K46 S47 T48 Q52 M53 R54 Y186 F188 M197 D199L38-I50 HydrophobicContact CD1-CD1 4.02Å; L38-I50 HydrophobicContact CD2-CD1 3.58Å; L38-I50 HydrophobicContact CD2-CG1 3.79Å; L38-I50 HydrophobicContact CG-CD1 4.47Å; K46-I50 PolarHBondContact O-N 2.71Å; S47-I50 PolarHBondContact O-N 3.05Å; T48-I50 PolarHBondContact O-N 3.33Å; I50-Q52 PolarHBondContact O-N 2.78Å; I50-M53 WeakPolarHBondContact O-CB 3.16Å; I50-M53 PolarHBondContact O-N 3.44Å; I50-M53 VanDerWaalsContact O-N 3.12Å; I50-R54 PolarHBondContact O-N 3.34Å; I50-Y186 HydrophobicContact CD1-CD2 4.45Å; I50-Y186 HydrophobicContact CG1-CD2 4.48Å; I50-Y186 HydrophobicContact CG2-CD1 3.87Å; I50-Y186 HydrophobicContact CG2-CD2 3.61Å; I50-Y186 HydrophobicContact CG2-CE1 3.9Å; I50-Y186 HydrophobicContact CG2-CE2 3.65Å; I50-Y186 HydrophobicContact CG2-CG 3.71Å; I50-F188 HydrophobicContact CG2-CZ 4.46Å; I50-M197 HydrophobicContact CD1-CB 3.58Å; I50-M197 HydrophobicContact CD1-CG 4.21Å; I50-M197 HydrophobicContact CD1-SD 3.59Å; I50-M197 VanDerWaalsContact CD1-SD 3.59Å; I50-D199 HydrophobicContact CG1-CB 4.16Å
51K97.4Very high95.9Very high28 Ų2825.7 Ų25.712%0.12216%0.161CC..Hα-helixtrans-59.7-38.1175.3-68.6168.8-178177.90111S47 T48 F49 R54 I55 Y61 I173 L174 V176S47-K51 WeakPolarHBondContact O-CG 3.28Å; S47-K51 PolarHBondContact O-N 2.7Å; T48-K51 WeakPolarHBondContact O-CB 3.38Å; T48-K51 PolarHBondContact O-N 3.1Å; F49-K51 PolarHBondContact O-N 3Å; K51-R54 WeakPolarHBondContact O-CB 3.45Å; K51-R54 PolarHBondContact O-N 3.16Å; K51-I55 WeakPolarHBondContact O-CG1 3.22Å; K51-I55 PolarHBondContact O-N 3.19Å; K51-I55 VanDerWaalsContact O-N 3.13Å; K51-Y61 WeakPolarHBondContact CA-OH 3.32Å; K51-Y61 WeakPolarHBondContact CB-OH 3.41Å; K51-Y61 VanDerWaalsContact CG-OH 3.28Å; K51-Y61 WeakPolarHBondContact CG-OH 3.46Å; K51-I173 HydrophobicContact CD-CG2 4.27Å; K51-I173 WeakPolarHBondContact CD-O 3.41Å; K51-I173 WeakPolarHBondContact CE-O 3.49Å; K51-I173 PolarHBondContact NZ-O 3.46Å; K51-L174 HydrophobicContact CB-CD2 3.9Å; K51-V176 PolarHBondContact NZ-O 3.03Å
52Q97.8Very high96Very high0 Ų028.2 Ų28.20%018%0.179CC..Hα-helixtrans-65.6-41.8173.5-69.9-72.326.200112.2T48 F49 I50 R54 I55 I56 L174 A325 T328 I331T48-Q52 WeakPolarHBondContact O-CG 3.05Å; T48-Q52 PolarHBondContact O-N 2.97Å; F49-Q52 WeakPolarHBondContact O-CB 3.45Å; F49-Q52 PolarHBondContact O-N 3.16Å; F49-Q52 VanDerWaalsContact O-N 3.13Å; I50-Q52 PolarHBondContact O-N 2.78Å; Q52-R54 VanDerWaalsContact C-N 3.26Å; Q52-R54 PolarHBondContact O-N 3.11Å; Q52-I55 PolarHBondContact O-N 3.2Å; Q52-I56 HydrophobicContact CB-CD1 4.2Å; Q52-I56 WeakPolarHBondContact O-CB 3.48Å; Q52-I56 VanDerWaalsContact O-CG1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 3.33Å; Q52-I56 PolarHBondContact O-N 2.97Å; Q52-L174 HydrophobicContact CG-CD2 3.65Å; Q52-A325 WeakPolarHBondContact CG-O 3.25Å; Q52-A325 PolarHBondContact NE2-O 3.14Å; Q52-T328 PolarHBondContact OE1-OG1 3.36Å; Q52-I331 HydrophobicContact CB-CB 4.31Å; Q52-I331 HydrophobicContact CB-CG2 3.74Å; Q52-I331 HydrophobicContact CG-CB 4.33Å; Q52-I331 HydrophobicContact CG-CG1 4.14Å; Q52-I331 HydrophobicContact CG-CG2 4.26Å
53M96.7Very high96.2Very high0 Ų031.6 Ų31.60%019%0.194CC..Hα-helixtrans-58.6-40.1174.4-68.8-58.8-5500111.9F49 I50 I55 H57 G58 F188 L190 M197 F335F49-M53 HydrophobicContact CD1-CG 4.1Å; F49-M53 HydrophobicContact CE1-CG 3.93Å; F49-M53 HydrophobicContact CE1-SD 4.21Å; F49-M53 WeakPolarHBondContact O-CG 3.48Å; F49-M53 PolarHBondContact O-N 3.25Å; I50-M53 WeakPolarHBondContact O-CB 3.16Å; I50-M53 PolarHBondContact O-N 3.44Å; I50-M53 VanDerWaalsContact O-N 3.12Å; M53-I55 VanDerWaalsContact C-N 3.33Å; M53-I55 PolarHBondContact O-N 3.03Å; M53-H57 HydrophobicContact CE-CB 4.27Å; M53-H57 WeakPolarHBondContact CE-CD2 3.41Å; M53-H57 WeakPolarHBondContact O-CA 3.34Å; M53-H57 WeakPolarHBondContact O-CB 3.45Å; M53-H57 PolarHBondContact O-N 3.04Å; M53-G58 PolarHBondContact O-N 3.15Å; M53-F188 HydrophobicContact CB-CD1 4.36Å; M53-F188 HydrophobicContact CB-CD2 4.44Å; M53-F188 HydrophobicContact CB-CE1 3.78Å; M53-F188 HydrophobicContact CB-CE2 3.86Å; M53-F188 HydrophobicContact CB-CZ 3.49Å; M53-F188 VanDerWaalsContact CB-CZ 3.49Å; M53-L190 HydrophobicContact CE-CD1 4.46Å; M53-M197 HydrophobicContact CB-SD 4.23Å; M53-M197 HydrophobicContact CE-CE 3.66Å; M53-M197 HydrophobicContact CE-SD 4.46Å; M53-M197 HydrophobicContact CG-CE 3.76Å; M53-M197 HydrophobicContact CG-SD 3.69Å; M53-M197 HydrophobicContact SD-CE 3.94Å; M53-F335 HydrophobicContact CE-CD1 3.74Å; M53-F335 HydrophobicContact CE-CD2 4.21Å; M53-F335 HydrophobicContact CE-CE1 3.38Å; M53-F335 HydrophobicContact CE-CE2 3.85Å; M53-F335 HydrophobicContact CE-CG 4.14Å; M53-F335 HydrophobicContact CE-CZ 3.42Å; M53-F335 VanDerWaalsContact CE-CZ 3.42Å; M53-F335 HydrophobicContact SD-CB 4.33Å; M53-F335 HydrophobicContact SD-CD1 3.81Å; M53-F335 HydrophobicContact SD-CD2 3.72Å; M53-F335 HydrophobicContact SD-CE1 4.04Å; M53-F335 HydrophobicContact SD-CE2 3.92Å; M53-F335 HydrophobicContact SD-CG 3.64Å; M53-F335 HydrophobicContact SD-CZ 4.07Å
54R96.5Very high96.4Very high66 Ų6635.5 Ų35.525%0.24922%0.217CC..Hα-helixtrans-62-37172-70.1-174.857.9177.2-1.3113.4I50 K51 Q52 G58 G60 Y61 E65 F188I50-R54 PolarHBondContact O-N 3.34Å; K51-R54 WeakPolarHBondContact O-CB 3.45Å; K51-R54 PolarHBondContact O-N 3.16Å; Q52-R54 VanDerWaalsContact C-N 3.26Å; Q52-R54 PolarHBondContact O-N 3.11Å; R54-G58 CarbonylContact O-C 3.44Å; R54-G58 WeakPolarHBondContact O-CA 3.46Å; R54-G58 PolarHBondContact O-N 3.16Å; R54-G58 VanDerWaalsContact O-N 3.1Å; R54-G60 PolarHBondContact NH2-O 2.83Å; R54-G60 VanDerWaalsContact O-CA 3.31Å; R54-G60 WeakPolarHBondContact O-CA 3.43Å; R54-G60 PolarHBondContact O-N 2.83Å; R54-Y61 HydrophobicContact CB-CE2 4.48Å; R54-Y61 VanDerWaalsContact CZ-CE1 3.41Å; R54-E65 IonicContact CZ-OE1 3.33Å; R54-E65 IonicContact NH2-OE1 2.99Å; R54-E65 PolarHBondContact NH2-OE1 2.93Å; R54-E65 IonicContact NH2-OE2 3.44Å; R54-F188 HydrophobicContact CG-CE1 3.94Å; R54-F188 HydrophobicContact CG-CZ 4.07Å
55I96.8Very high96.5Very high33 Ų3338.7 Ų38.717%0.16923%0.231CC..Hα-helixtrans-74.8-44179.7-68.7163.9000111.8K51 Q52 M53 Y61 L170 L174 T328K51-I55 WeakPolarHBondContact O-CG1 3.22Å; K51-I55 PolarHBondContact O-N 3.19Å; K51-I55 VanDerWaalsContact O-N 3.13Å; Q52-I55 PolarHBondContact O-N 3.2Å; M53-I55 VanDerWaalsContact C-N 3.33Å; M53-I55 PolarHBondContact O-N 3.03Å; I55-Y61 HydrophobicContact CD1-CE2 4.11Å; I55-Y61 HydrophobicContact CG1-CD2 4.08Å; I55-Y61 HydrophobicContact CG1-CE2 3.8Å; I55-L170 HydrophobicContact CD1-CB 4.32Å; I55-L170 HydrophobicContact CD1-CD1 4.43Å; I55-L170 HydrophobicContact CD1-CD2 4.19Å; I55-L170 HydrophobicContact CG1-CD1 4.5Å; I55-L170 HydrophobicContact CG1-CD2 4.25Å; I55-L170 HydrophobicContact CG2-CD1 4.15Å; I55-L174 HydrophobicContact CD1-CD1 4.21Å; I55-L174 HydrophobicContact CD1-CD2 4Å; I55-L174 HydrophobicContact CD1-CG 4.12Å; I55-T328 HydrophobicContact CG2-CG2 4.31Å
56I95.8Very high96.6Very high23 Ų2340.8 Ų40.812%0.11824%0.237CC..Hα-helixtrans-81.8-37.9-171.3-65.2169.1000110.9Q52 T328 I331 R332Q52-I56 HydrophobicContact CB-CD1 4.2Å; Q52-I56 WeakPolarHBondContact O-CB 3.48Å; Q52-I56 VanDerWaalsContact O-CG1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 3.33Å; Q52-I56 PolarHBondContact O-N 2.97Å; I56-T328 HydrophobicContact CD1-CG2 4.11Å; I56-T328 HydrophobicContact CG1-CG2 3.8Å; I56-I331 HydrophobicContact CD1-CB 4.15Å; I56-I331 HydrophobicContact CD1-CG2 3.85Å; I56-R332 HydrophobicContact CD1-CB 4.15Å; I56-R332 HydrophobicContact CG2-CB 4.41Å; I56-R332 HydrophobicContact CG2-CG 4.13Å
57H93.4Very high96.6Very high66 Ų6646.7 Ų46.731%0.30626%0.259SS..Hα-helixtrans-126.3-7.3-168.3-67.2-63.6000114.2M53 L190 F335M53-H57 HydrophobicContact CE-CB 4.27Å; M53-H57 WeakPolarHBondContact CE-CD2 3.41Å; M53-H57 WeakPolarHBondContact O-CA 3.34Å; M53-H57 WeakPolarHBondContact O-CB 3.45Å; M53-H57 PolarHBondContact O-N 3.04Å; H57-L190 HydrophobicContact CB-CD2 3.67Å; H57-L190 VanDerWaalsContact ND1-CD2 3.32Å; H57-L190 WeakPolarHBondContact ND1-CD2 3.42Å; H57-F335 AromaticContact CD2-CD1 3.98Å; H57-F335 AromaticContact NE2-CD1 3.43Å; H57-F335 WeakPolarHBondContact NE2-CD1 3.42Å; H57-F335 AromaticContact NE2-CE1 3.88Å
58G91.6Very high96.6Very high39 Ų3949.7 Ų49.740%0.40228%0.276SS..SBendtrans-108.5-165.6174.300000112.3M53 R54 G60M53-G58 PolarHBondContact O-N 3.15Å; R54-G58 CarbonylContact O-C 3.44Å; R54-G58 WeakPolarHBondContact O-CA 3.46Å; R54-G58 PolarHBondContact O-N 3.16Å; R54-G58 VanDerWaalsContact O-N 3.1Å; G58-G60 PolarHBondContact O-N 2.85Å
59A92.4Very high96.6Very high112 Ų11249.7 Ų49.793%0.92627%0.273SS*.  trans-75.83.9174.800000113.6
60G95.1Very high96.6Very high12 Ų1251.2 Ų51.212%0.12428%0.281CS..  trans66.9-134-171.100000112.5R54 G58R54-G60 PolarHBondContact NH2-O 2.83Å; R54-G60 VanDerWaalsContact O-CA 3.31Å; R54-G60 WeakPolarHBondContact O-CA 3.43Å; R54-G60 PolarHBondContact O-N 2.83Å; G58-G60 PolarHBondContact O-N 2.85Å
61Y97.5Very high96.7Very high22 Ų2255.3 Ų55.39%0.08630%0.299CS..  trans-130.7120.7178.4-63.1-88.3000109.3K51 R54 I55 E65 F69 L170 I173K51-Y61 WeakPolarHBondContact CA-OH 3.32Å; K51-Y61 WeakPolarHBondContact CB-OH 3.41Å; K51-Y61 VanDerWaalsContact CG-OH 3.28Å; K51-Y61 WeakPolarHBondContact CG-OH 3.46Å; R54-Y61 HydrophobicContact CB-CE2 4.48Å; R54-Y61 VanDerWaalsContact CZ-CE1 3.41Å; I55-Y61 HydrophobicContact CD1-CE2 4.11Å; I55-Y61 HydrophobicContact CG1-CD2 4.08Å; I55-Y61 HydrophobicContact CG1-CE2 3.8Å; Y61-E65 WeakPolarHBondContact CA-OE2 3.45Å; Y61-E65 HydrophobicContact CD1-CB 4.33Å; Y61-F69 HydrophobicContact CD1-CE2 4.01Å; Y61-F69 AromaticContact CE1-CE2 3.99Å; Y61-F69 HydrophobicContact CE1-CE2 3.99Å; Y61-F69 HydrophobicContact CE1-CZ 4.19Å; Y61-L170 HydrophobicContact CD2-CD2 3.88Å; Y61-I173 HydrophobicContact CD1-CD1 4.42Å; Y61-I173 HydrophobicContact CD2-CD1 4.27Å; Y61-I173 HydrophobicContact CD2-CG2 4.31Å; Y61-I173 HydrophobicContact CE1-CG2 4.17Å; Y61-I173 HydrophobicContact CE2-CG2 3.91Å; Y61-I173 HydrophobicContact CG-CD1 4.03Å
62S97.7Very high96.7Very high58 Ų5855.7 Ų55.741%0.40630%0.302SS..  trans-65.2161.3169.260.80000111.3D64 E65 R66S62-D64 PolarHBondContact O-N 2.96Å; S62-E65 PolarHBondContact N-OE2 3.35Å; S62-E65 PolarHBondContact O-N 3.45Å; S62-E65 VanDerWaalsContact O-N 3.16Å; S62-E65 VanDerWaalsContact OG-CG 3.31Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.42Å; S62-E65 PolarHBondContact OG-OE2 3.41Å; S62-R66 WeakPolarHBondContact O-CG 3.26Å; S62-R66 PolarHBondContact O-N 3.45Å
63D98.2Very high96.7Very high82 Ų8255.7 Ų55.744%0.43930%0.302SS..Hα-helixtrans-60.5-34177.4-75.9-7.3000112.7R66 R67 L167D63-R66 PolarHBondContact O-N 2.84Å; D63-R66 IonicContact OD1-CZ 2.96Å; D63-R66 IonicContact OD1-NH1 2.85Å; D63-R66 PolarHBondContact OD1-NH1 2.88Å; D63-R67 VanDerWaalsContact O-CG 3.31Å; D63-R67 WeakPolarHBondContact O-CG 3.29Å; D63-R67 PolarHBondContact O-N 2.84Å; D63-L167 HydrophobicContact CB-CD2 4.35Å
64D98.1Very high96.8Very high124 Ų12456.7 Ų56.766%0.66331%0.306SS*.Hα-helixtrans-65.8-43.2175.1-68.8-27.1000111.6S62 R67 T68S62-D64 PolarHBondContact O-N 2.96Å; D64-R67 PolarHBondContact O-N 3.48Å; D64-T68 WeakPolarHBondContact O-CG2 3.22Å; D64-T68 PolarHBondContact O-N 2.95Å
65E97.8Very high96.9Very high67 Ų6755.4 Ų55.431%0.31330%0.303SS..Hα-helixtrans-63.9-42.4173.1-70.8170.7111.700111.5R54 Y61 S62 R67 T68 F69R54-E65 IonicContact CZ-OE1 3.33Å; R54-E65 IonicContact NH2-OE1 2.99Å; R54-E65 PolarHBondContact NH2-OE1 2.93Å; R54-E65 IonicContact NH2-OE2 3.44Å; Y61-E65 WeakPolarHBondContact CA-OE2 3.45Å; Y61-E65 HydrophobicContact CD1-CB 4.33Å; S62-E65 PolarHBondContact N-OE2 3.35Å; S62-E65 PolarHBondContact O-N 3.45Å; S62-E65 VanDerWaalsContact O-N 3.16Å; S62-E65 VanDerWaalsContact OG-CG 3.31Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.42Å; S62-E65 PolarHBondContact OG-OE2 3.41Å; E65-R67 VanDerWaalsContact C-N 3.27Å; E65-R67 PolarHBondContact O-N 2.8Å; E65-T68 WeakPolarHBondContact O-CB 3.39Å; E65-T68 PolarHBondContact O-N 2.81Å; E65-T68 PolarHBondContact O-OG1 2.99Å; E65-F69 VanDerWaalsContact O-CD2 3.3Å; E65-F69 WeakPolarHBondContact O-CD2 3.33Å
66R98.5Very high96.9Very high53 Ų5354.2 Ų54.220%0.230%0.297CS..Hα-helixtrans-58.3-39.9176.9-67167.766-164.82.3111.2S62 D63 T68 F69 L167 P168 I173S62-R66 WeakPolarHBondContact O-CG 3.26Å; S62-R66 PolarHBondContact O-N 3.45Å; D63-R66 PolarHBondContact O-N 2.84Å; D63-R66 IonicContact OD1-CZ 2.96Å; D63-R66 IonicContact OD1-NH1 2.85Å; D63-R66 PolarHBondContact OD1-NH1 2.88Å; R66-T68 VanDerWaalsContact C-N 3.26Å; R66-T68 PolarHBondContact O-N 2.72Å; R66-F69 WeakPolarHBondContact O-CB 3.43Å; R66-F69 PolarHBondContact O-N 3.36Å; R66-F69 VanDerWaalsContact O-N 3.11Å; R66-L167 HydrophobicContact CB-CD1 3.88Å; R66-L167 HydrophobicContact CB-CG 4.33Å; R66-P168 PolarHBondContact NE-O 3.46Å; R66-P168 PolarHBondContact NH2-O 3.04Å; R66-P168 WeakPolarHBondContact O-CD 3.4Å; R66-P168 VanDerWaalsContact O-CG 3.28Å; R66-P168 WeakPolarHBondContact O-CG 3.42Å; R66-I173 HydrophobicContact CB-CD1 4.33Å; R66-I173 HydrophobicContact CG-CD1 3.73Å
67R98Very high97.1Very high134 Ų13453.1 Ų53.151%0.50629%0.291SS..Hα-helixtrans-60.8-33.3175.8-72.8173.1-165-67.3-3.7112.8D63 D64 E65 F69 I70 L167D63-R67 VanDerWaalsContact O-CG 3.31Å; D63-R67 WeakPolarHBondContact O-CG 3.29Å; D63-R67 PolarHBondContact O-N 2.84Å; D64-R67 PolarHBondContact O-N 3.48Å; E65-R67 VanDerWaalsContact C-N 3.27Å; E65-R67 PolarHBondContact O-N 2.8Å; R67-F69 PolarHBondContact O-N 2.93Å; R67-I70 HydrophobicContact CB-CD1 4.16Å; R67-I70 HydrophobicContact CG-CD1 4.15Å; R67-I70 WeakPolarHBondContact O-CB 3.46Å; R67-I70 WeakPolarHBondContact O-CG1 3.44Å; R67-I70 PolarHBondContact O-N 3.24Å; R67-I70 VanDerWaalsContact O-N 3.1Å; R67-L167 HydrophobicContact CG-CD1 3.67Å
68T97.2Very high97.3Very high94 Ų9450.1 Ų50.158%0.57728%0.277SS*.Hα-helixtrans-62.9-23.3177.373.80000113.1D64 E65 R66D64-T68 WeakPolarHBondContact O-CG2 3.22Å; D64-T68 PolarHBondContact O-N 2.95Å; E65-T68 WeakPolarHBondContact O-CB 3.39Å; E65-T68 PolarHBondContact O-N 2.81Å; E65-T68 PolarHBondContact O-OG1 2.99Å; R66-T68 VanDerWaalsContact C-N 3.26Å; R66-T68 PolarHBondContact O-N 2.72Å
69F98Very high97.6Very high27 Ų2750.3 Ų50.312%0.11827%0.268CS..Hα-helixtrans-82.1-14.2176.8-70.3-79.2000114.5Y61 E65 R66 R67 K71 I72 V73 P168 I173 V176Y61-F69 HydrophobicContact CD1-CE2 4.01Å; Y61-F69 AromaticContact CE1-CE2 3.99Å; Y61-F69 HydrophobicContact CE1-CE2 3.99Å; Y61-F69 HydrophobicContact CE1-CZ 4.19Å; E65-F69 VanDerWaalsContact O-CD2 3.3Å; E65-F69 WeakPolarHBondContact O-CD2 3.33Å; R66-F69 WeakPolarHBondContact O-CB 3.43Å; R66-F69 PolarHBondContact O-N 3.36Å; R66-F69 VanDerWaalsContact O-N 3.11Å; R67-F69 PolarHBondContact O-N 2.93Å; F69-K71 PolarHBondContact O-N 2.87Å; F69-I72 HydrophobicContact CD1-CD1 4.1Å; F69-I72 PolarHBondContact O-N 3.19Å; F69-I72 VanDerWaalsContact O-N 3.09Å; F69-V73 WeakPolarHBondContact O-CG2 3.14Å; F69-V73 PolarHBondContact O-N 2.82Å; F69-P168 HydrophobicContact CB-CB 4.33Å; F69-P168 HydrophobicContact CB-CG 4.15Å; F69-I173 HydrophobicContact CB-CG1 4.32Å; F69-I173 HydrophobicContact CD2-CD1 3.9Å; F69-I173 HydrophobicContact CD2-CG1 3.78Å; F69-I173 HydrophobicContact CD2-CG2 4.45Å; F69-I173 HydrophobicContact CE1-CG2 4.31Å; F69-I173 HydrophobicContact CE2-CD1 4.2Å; F69-I173 HydrophobicContact CE2-CG1 4.2Å; F69-I173 HydrophobicContact CE2-CG2 4.06Å; F69-I173 HydrophobicContact CG-CG1 3.97Å; F69-I173 HydrophobicContact CZ-CG2 3.98Å; F69-V176 HydrophobicContact CD1-CG1 3.71Å; F69-V176 HydrophobicContact CE1-CG1 3.94Å
70I98.2Very high97.9Very high33 Ų3345.1 Ų45.117%0.16923%0.225CC..Hα-helixtrans-53.8-53.1-177.1-69.9170000110.7R67 I72 V73 Y74 Y166 P168R67-I70 HydrophobicContact CB-CD1 4.16Å; R67-I70 HydrophobicContact CG-CD1 4.15Å; R67-I70 WeakPolarHBondContact O-CB 3.46Å; R67-I70 WeakPolarHBondContact O-CG1 3.44Å; R67-I70 PolarHBondContact O-N 3.24Å; R67-I70 VanDerWaalsContact O-N 3.1Å; I70-I72 VanDerWaalsContact C-N 3.29Å; I70-I72 PolarHBondContact O-N 3.39Å; I70-V73 PolarHBondContact O-N 3.05Å; I70-Y74 HydrophobicContact CG2-CD2 4.04Å; I70-Y74 HydrophobicContact CG2-CE1 4.24Å; I70-Y74 HydrophobicContact CG2-CE2 3.35Å; I70-Y74 VanDerWaalsContact CG2-CZ 3.5Å; I70-Y74 PolarHBondContact O-N 2.93Å; I70-Y74 VanDerWaalsContact O-N 3.12Å; I70-Y166 WeakPolarHBondContact CD1-O 3.46Å; I70-Y166 HydrophobicContact CG1-CD1 4.27Å; I70-Y166 HydrophobicContact CG1-CE1 4.33Å; I70-Y166 HydrophobicContact CG2-CD1 4.3Å; I70-P168 VanDerWaalsContact CG1-CD 3.45Å; I70-P168 HydrophobicContact CG1-CG 3.67Å
71K97.5Very high98.1Very high88 Ų8844.5 Ų44.538%0.38322%0.219SC..Hα-helixtrans-54.7-48.6178.4-177.5-177.1-178.5-167.20110.9F69 V73 Y74 Q75 V115 T116F69-K71 PolarHBondContact O-N 2.87Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 2.98Å; K71-Y74 WeakPolarHBondContact O-CB 3.31Å; K71-Y74 PolarHBondContact O-N 2.85Å; K71-Y74 VanDerWaalsContact O-N 3.14Å; K71-Q75 VanDerWaalsContact CE-NE2 3.29Å; K71-Q75 HydrophobicContact CG-CG 4.33Å; K71-Q75 VanDerWaalsContact O-CG 3.29Å; K71-Q75 WeakPolarHBondContact O-CG 3.49Å; K71-Q75 PolarHBondContact O-N 2.98Å; K71-V115 WeakPolarHBondContact CE-O 3.31Å; K71-V115 WeakPolarHBondContact CG-O 3.5Å; K71-T116 HydrophobicContact CD-CG2 4.09Å; K71-T116 HydrophobicContact CG-CG2 4.43Å
72I97.8Very high98.1Very high37 Ų3745.2 Ų45.219%0.1922%0.222CC..Hα-helixtrans-65.8-39.2-173.8-48.2177.6000111F69 I70 Y74 Q75 N76 V176 V178F69-I72 HydrophobicContact CD1-CD1 4.1Å; F69-I72 PolarHBondContact O-N 3.19Å; F69-I72 VanDerWaalsContact O-N 3.09Å; I70-I72 VanDerWaalsContact C-N 3.29Å; I70-I72 PolarHBondContact O-N 3.39Å; I72-Y74 VanDerWaalsContact C-N 3.33Å; I72-Y74 PolarHBondContact O-N 3.07Å; I72-Q75 PolarHBondContact O-N 2.9Å; I72-N76 WeakPolarHBondContact O-CB 3.27Å; I72-N76 PolarHBondContact O-N 2.96Å; I72-N76 PolarHBondContact O-ND2 3.47Å; I72-V176 HydrophobicContact CB-CG2 3.87Å; I72-V176 HydrophobicContact CG2-CG2 3.33Å; I72-V178 HydrophobicContact CD1-CG2 4.17Å; I72-V178 HydrophobicContact CG2-CG2 3.51Å
73V98.5Very high98.1Very high0 Ų044.1 Ų44.10%021%0.213CC..Hα-helixtrans-60.1-44.8173.7171.20000110.7F69 I70 K71 N76 I77 Y154 I161 Y166 D172 V176F69-V73 WeakPolarHBondContact O-CG2 3.14Å; F69-V73 PolarHBondContact O-N 2.82Å; I70-V73 PolarHBondContact O-N 3.05Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 2.98Å; V73-N76 WeakPolarHBondContact O-CB 3.43Å; V73-N76 PolarHBondContact O-N 3.33Å; V73-I77 HydrophobicContact CG1-CD1 4.04Å; V73-I77 WeakPolarHBondContact O-CG1 3.42Å; V73-I77 PolarHBondContact O-N 3.4Å; V73-Y154 HydrophobicContact CG1-CD1 3.98Å; V73-Y154 HydrophobicContact CG1-CE1 3.72Å; V73-Y154 HydrophobicContact CG2-CE1 4.22Å; V73-I161 HydrophobicContact CG1-CD1 4.42Å; V73-I161 HydrophobicContact CG1-CG2 3.93Å; V73-Y166 HydrophobicContact CG1-CE1 4.37Å; V73-D172 HydrophobicContact CG2-CB 4.36Å; V73-V176 HydrophobicContact CG2-CB 4.48Å; V73-V176 HydrophobicContact CG2-CG2 4.17Å
74Y98.3Very high98.1Very high21 Ų2140.2 Ų40.28%0.08219%0.192CC..Hα-helixtrans-61.8-49.2176.6-59.3-19.5000111.5I70 K71 I72 N76 I77 Y78 T116 M118 I161 Y166I70-Y74 HydrophobicContact CG2-CD2 4.04Å; I70-Y74 HydrophobicContact CG2-CE1 4.24Å; I70-Y74 HydrophobicContact CG2-CE2 3.35Å; I70-Y74 VanDerWaalsContact CG2-CZ 3.5Å; I70-Y74 PolarHBondContact O-N 2.93Å; I70-Y74 VanDerWaalsContact O-N 3.12Å; K71-Y74 WeakPolarHBondContact O-CB 3.31Å; K71-Y74 PolarHBondContact O-N 2.85Å; K71-Y74 VanDerWaalsContact O-N 3.14Å; I72-Y74 VanDerWaalsContact C-N 3.33Å; I72-Y74 PolarHBondContact O-N 3.07Å; Y74-N76 PolarHBondContact O-N 2.84Å; Y74-I77 WeakPolarHBondContact O-CB 3.37Å; Y74-I77 PolarHBondContact O-N 2.64Å; Y74-Y78 VanDerWaalsContact O-CD2 3.25Å; Y74-Y78 WeakPolarHBondContact O-CD2 3.45Å; Y74-Y78 PolarHBondContact O-N 3.19Å; Y74-T116 WeakPolarHBondContact CD2-O 3.28Å; Y74-M118 HydrophobicContact CD1-CG 3.33Å; Y74-M118 HydrophobicContact CD1-SD 3.82Å; Y74-M118 HydrophobicContact CD2-CG 4.06Å; Y74-M118 HydrophobicContact CE1-CB 4.45Å; Y74-M118 HydrophobicContact CE1-CG 3.36Å; Y74-M118 HydrophobicContact CE1-SD 4.42Å; Y74-M118 HydrophobicContact CE2-CG 4.08Å; Y74-M118 HydrophobicContact CG-CG 3.69Å; Y74-M118 HydrophobicContact CG-SD 4Å; Y74-I161 HydrophobicContact CD1-CG2 4.02Å; Y74-I161 HydrophobicContact CE1-CG2 3.67Å; Y74-I161 PolarHBondContact OH-O 3.44Å; Y74-Y166 AromaticContact CE1-CD1 3.87Å; Y74-Y166 HydrophobicContact CE1-CD1 3.87Å; Y74-Y166 HydrophobicContact CE1-CE1 4.03Å
75Q98.3Very high98.1Very high39 Ų3934.3 Ų34.318%0.18216%0.161CC..Hα-helixtrans-54.5-41.3176.2-62.4175.4-42.200111.7K71 I72 M79 Y112 E113K71-Q75 VanDerWaalsContact CE-NE2 3.29Å; K71-Q75 HydrophobicContact CG-CG 4.33Å; K71-Q75 VanDerWaalsContact O-CG 3.29Å; K71-Q75 WeakPolarHBondContact O-CG 3.49Å; K71-Q75 PolarHBondContact O-N 2.98Å; I72-Q75 PolarHBondContact O-N 2.9Å; Q75-M79 WeakPolarHBondContact O-CB 3.46Å; Q75-M79 PolarHBondContact O-N 2.72Å; Q75-Y112 VanDerWaalsContact CG-O 3.24Å; Q75-Y112 WeakPolarHBondContact CG-O 3.32Å; Q75-E113 PolarHBondContact NE2-O 2.87Å
76N98.4Very high98.1Very high8 Ų837.8 Ų37.84%0.04317%0.171CC..Hα-helixtrans-63.9-40.3176.7-86.9-137.2000112.7I72 V73 Y74 A80 Y154 R177I72-N76 WeakPolarHBondContact O-CB 3.27Å; I72-N76 PolarHBondContact O-N 2.96Å; I72-N76 PolarHBondContact O-ND2 3.47Å; V73-N76 WeakPolarHBondContact O-CB 3.43Å; V73-N76 PolarHBondContact O-N 3.33Å; Y74-N76 PolarHBondContact O-N 2.84Å; N76-A80 VanDerWaalsContact O-CB 3.32Å; N76-A80 WeakPolarHBondContact O-CB 3.46Å; N76-A80 PolarHBondContact O-N 3.14Å; N76-Y154 HydrophobicContact CB-CD2 4.45Å; N76-Y154 HydrophobicContact CB-CE2 4.17Å; N76-R177 PolarHBondContact ND2-O 3.09Å; N76-R177 VanDerWaalsContact OD1-CB 3.24Å; N76-R177 WeakPolarHBondContact OD1-CB 3.25Å; N76-R177 PolarHBondContact OD1-N 2.83Å
77I98.6Very high98Very high0 Ų035.6 Ų35.60%016%0.164CC..Hα-helixtrans-64.6-50.2176.7-72164.9000110.9V73 Y74 A80 M81 M118 I126 Y154 L155 L158 I161V73-I77 HydrophobicContact CG1-CD1 4.04Å; V73-I77 WeakPolarHBondContact O-CG1 3.42Å; V73-I77 PolarHBondContact O-N 3.4Å; Y74-I77 WeakPolarHBondContact O-CB 3.37Å; Y74-I77 PolarHBondContact O-N 2.64Å; I77-A80 PolarHBondContact O-N 3.14Å; I77-M81 PolarHBondContact O-N 3.29Å; I77-M118 HydrophobicContact CG2-CE 4.37Å; I77-I126 HydrophobicContact CG2-CD1 4.12Å; I77-I126 HydrophobicContact CG2-CG2 4.41Å; I77-Y154 HydrophobicContact CG1-CG 4.13Å; I77-L155 HydrophobicContact CG2-CD2 4.29Å; I77-L158 HydrophobicContact CD1-CD1 4.32Å; I77-L158 HydrophobicContact CG2-CD1 4.3Å; I77-I161 HydrophobicContact CD1-CB 4.47Å; I77-I161 HydrophobicContact CD1-CD1 4.18Å; I77-I161 HydrophobicContact CD1-CG2 3.68Å
78Y98.3Very high97.9Very high3 Ų329.3 Ų29.31%0.01214%0.14CC..Hα-helixtrans-62.2-44.7179-79.6-80.6000111.3Y74 A80 M81 F82 I107 I110 V115 M118 H122 I126Y74-Y78 VanDerWaalsContact O-CD2 3.25Å; Y74-Y78 WeakPolarHBondContact O-CD2 3.45Å; Y74-Y78 PolarHBondContact O-N 3.19Å; Y78-A80 VanDerWaalsContact C-N 3.35Å; Y78-A80 PolarHBondContact O-N 3.26Å; Y78-M81 PolarHBondContact O-N 3.12Å; Y78-F82 WeakPolarHBondContact O-CB 3.42Å; Y78-F82 PolarHBondContact O-N 2.74Å; Y78-I107 HydrophobicContact CE1-CD1 4.37Å; Y78-I110 HydrophobicContact CD1-CD1 3.96Å; Y78-I110 HydrophobicContact CD1-CG2 4.04Å; Y78-I110 HydrophobicContact CE1-CD1 3.59Å; Y78-I110 HydrophobicContact CE1-CG2 4.3Å; Y78-V115 HydrophobicContact CD2-CB 4.23Å; Y78-V115 HydrophobicContact CD2-CG1 3.72Å; Y78-V115 HydrophobicContact CD2-CG2 3.99Å; Y78-V115 HydrophobicContact CE2-CB 4.41Å; Y78-V115 HydrophobicContact CE2-CG1 3.52Å; Y78-V115 HydrophobicContact CE2-CG2 4.2Å; Y78-V115 HydrophobicContact CG-CG2 4.27Å; Y78-M118 HydrophobicContact CD2-SD 4.17Å; Y78-M118 HydrophobicContact CE2-CE 4.24Å; Y78-M118 HydrophobicContact CE2-SD 3.4Å; Y78-M118 WeakPolarHBondContact CE2-SD 3.46Å; Y78-H122 HydrophobicContact CE1-CB 3.82Å; Y78-H122 AromaticContact CE1-CG 3.94Å; Y78-H122 AromaticContact CE1-ND1 3.86Å; Y78-H122 AromaticContact CZ-ND1 3.77Å; Y78-H122 WeakPolarHBondContact OH-CB 3.31Å; Y78-H122 VanDerWaalsContact OH-CG 3.28Å; Y78-H122 PolarHBondContact OH-ND1 3.13Å; Y78-I126 HydrophobicContact CD1-CD1 4.15Å; Y78-I126 HydrophobicContact CE1-CD1 3.9Å
79M97.8Very high97.8Very high43 Ų4329.3 Ų29.321%0.21213%0.134CC..Hα-helixtrans-58.3-45.6175.3-177.1-175.468.400111.6Q75 F82 T83 Y112 T148Q75-M79 WeakPolarHBondContact O-CB 3.46Å; Q75-M79 PolarHBondContact O-N 2.72Å; M79-F82 PolarHBondContact O-N 3.24Å; M79-T83 WeakPolarHBondContact O-CB 3.25Å; M79-T83 PolarHBondContact O-N 2.8Å; M79-T83 PolarHBondContact O-OG1 3.16Å; M79-Y112 HydrophobicContact CB-CD1 4.4Å; M79-Y112 HydrophobicContact CB-CD2 3.9Å; M79-Y112 HydrophobicContact CB-CE2 4.17Å; M79-Y112 HydrophobicContact CB-CG 4.03Å; M79-Y112 HydrophobicContact CG-CD2 4.29Å; M79-Y112 HydrophobicContact CG-CE1 4.47Å; M79-Y112 HydrophobicContact CG-CE2 4.04Å; M79-Y112 HydrophobicContact SD-CE2 4.31Å; M79-T148 HydrophobicContact CE-CG2 3.57Å
80A98.3Very high97.7Very high2 Ų232.5 Ų32.52%0.01716%0.159CC..Hα-helixtrans-61.2-46.7178.900000112.1N76 I77 Y78 T83 M84 L147 A151N76-A80 VanDerWaalsContact O-CB 3.32Å; N76-A80 WeakPolarHBondContact O-CB 3.46Å; N76-A80 PolarHBondContact O-N 3.14Å; I77-A80 PolarHBondContact O-N 3.14Å; Y78-A80 VanDerWaalsContact C-N 3.35Å; Y78-A80 PolarHBondContact O-N 3.26Å; A80-T83 PolarHBondContact O-N 3.32Å; A80-M84 WeakPolarHBondContact O-CG 3.23Å; A80-M84 PolarHBondContact O-N 3.33Å; A80-M84 VanDerWaalsContact O-N 3.1Å; A80-L147 HydrophobicContact CB-CD1 4.22Å; A80-A151 HydrophobicContact CB-CB 3.76Å
81M98.5Very high97.6Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-68.1-43.5178.7-173.753.569.200112I77 Y78 T83 M84 V85 I107 I126 L129 W130 L155I77-M81 PolarHBondContact O-N 3.29Å; Y78-M81 PolarHBondContact O-N 3.12Å; M81-T83 VanDerWaalsContact C-N 3.31Å; M81-T83 PolarHBondContact O-N 2.86Å; M81-M84 HydrophobicContact CE-CE 3.77Å; M81-M84 PolarHBondContact O-N 2.95Å; M81-M84 HydrophobicContact SD-CE 3.96Å; M81-V85 HydrophobicContact CG-CG2 4.32Å; M81-V85 WeakPolarHBondContact O-CG2 3.35Å; M81-V85 PolarHBondContact O-N 2.92Å; M81-V85 HydrophobicContact SD-CG2 4.1Å; M81-I107 HydrophobicContact CB-CG2 4.32Å; M81-I107 HydrophobicContact CG-CG1 4.42Å; M81-I107 HydrophobicContact CG-CG2 4.03Å; M81-I126 HydrophobicContact CE-CG2 3.84Å; M81-I126 HydrophobicContact CG-CG1 4.26Å; M81-I126 HydrophobicContact CG-CG2 4.45Å; M81-L129 HydrophobicContact CE-CB 3.85Å; M81-L129 HydrophobicContact CG-CD1 3.99Å; M81-L129 HydrophobicContact SD-CB 3.68Å; M81-L129 HydrophobicContact SD-CD1 3.91Å; M81-L129 HydrophobicContact SD-CG 4.37Å; M81-W130 HydrophobicContact CE-CB 4.03Å; M81-L155 HydrophobicContact CE-CD1 4.32Å; M81-L155 HydrophobicContact CE-CD2 3.97Å
82F98Very high97.6Very high37 Ų3737.2 Ų37.216%0.16218%0.18CC..Hα-helixtrans-53.4-48.7174.2173.6-90000111.6Y78 M79 V85 R86 I107 K108 Y112Y78-F82 WeakPolarHBondContact O-CB 3.42Å; Y78-F82 PolarHBondContact O-N 2.74Å; M79-F82 PolarHBondContact O-N 3.24Å; F82-V85 PolarHBondContact O-N 3.4Å; F82-R86 VanDerWaalsContact CE1-CD 3.41Å; F82-R86 HydrophobicContact CE1-CG 4.28Å; F82-R86 VanDerWaalsContact CZ-CD 3.45Å; F82-R86 HydrophobicContact CZ-CG 4.29Å; F82-R86 PolarHBondContact O-N 2.87Å; F82-I107 HydrophobicContact CB-CG2 4.36Å; F82-K108 HydrophobicContact CD2-CG 4.47Å; F82-K108 HydrophobicContact CE2-CB 4.37Å; F82-K108 HydrophobicContact CE2-CG 4.4Å; F82-K108 WeakPolarHBondContact CE2-O 3.26Å; F82-Y112 HydrophobicContact CB-CD1 4.46Å; F82-Y112 HydrophobicContact CD1-CD1 4.43Å; F82-Y112 HydrophobicContact CD1-CE1 4.06Å; F82-Y112 HydrophobicContact CE1-CE1 4.31Å; F82-Y112 HydrophobicContact CG-CD1 4.31Å; F82-Y112 HydrophobicContact CG-CE1 4.39Å
83T97.9Very high97.6Very high34 Ų3436 Ų3621%0.20917%0.174CC..Hα-helixtrans-60.4-46.7178.1-68.20000111.7M79 A80 M81 R86 A87 Y145 Q146 L147M79-T83 WeakPolarHBondContact O-CB 3.25Å; M79-T83 PolarHBondContact O-N 2.8Å; M79-T83 PolarHBondContact O-OG1 3.16Å; A80-T83 PolarHBondContact O-N 3.32Å; M81-T83 VanDerWaalsContact C-N 3.31Å; M81-T83 PolarHBondContact O-N 2.86Å; T83-R86 PolarHBondContact O-N 2.7Å; T83-A87 WeakPolarHBondContact O-CB 3.4Å; T83-A87 PolarHBondContact O-N 3.31Å; T83-Y145 HydrophobicContact CG2-CD2 3.68Å; T83-Y145 HydrophobicContact CG2-CE2 3.9Å; T83-Q146 VanDerWaalsContact CG2-O 3.25Å; T83-Q146 WeakPolarHBondContact CG2-O 3.49Å; T83-L147 HydrophobicContact CG2-CD1 4.13Å
84M98.2Very high97.4Very high0 Ų040.8 Ų40.80%021%0.205CC..Hα-helixtrans-64.7-42.3179-70.2-171.9-59.300111.9A80 M81 R86 A87 V88 W130 I135 Y139 Y145 L147 L155A80-M84 WeakPolarHBondContact O-CG 3.23Å; A80-M84 PolarHBondContact O-N 3.33Å; A80-M84 VanDerWaalsContact O-N 3.1Å; M81-M84 HydrophobicContact CE-CE 3.77Å; M81-M84 PolarHBondContact O-N 2.95Å; M81-M84 HydrophobicContact SD-CE 3.96Å; M84-R86 VanDerWaalsContact C-N 3.31Å; M84-R86 PolarHBondContact O-N 3.1Å; M84-A87 CarbonylContact O-C 3.21Å; M84-A87 WeakPolarHBondContact O-CB 3.49Å; M84-A87 PolarHBondContact O-N 3.29Å; M84-A87 VanDerWaalsContact O-N 3.07Å; M84-V88 WeakPolarHBondContact O-CG2 3.36Å; M84-V88 PolarHBondContact O-N 3.44Å; M84-W130 HydrophobicContact CE-CE3 4.04Å; M84-W130 HydrophobicContact CE-CZ3 4.14Å; M84-W130 HydrophobicContact SD-CZ3 4.06Å; M84-I135 HydrophobicContact CB-CD1 4.45Å; M84-I135 HydrophobicContact CE-CG2 4.27Å; M84-I135 HydrophobicContact SD-CG2 4.39Å; M84-Y139 HydrophobicContact SD-CD2 4.2Å; M84-Y145 HydrophobicContact CG-CE2 4.31Å; M84-L147 HydrophobicContact CG-CD1 3.92Å; M84-L147 HydrophobicContact CG-CD2 4.02Å; M84-L147 HydrophobicContact SD-CD2 4Å; M84-L155 HydrophobicContact CE-CD1 3.37Å
85V97.8Very high97.4Very high0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-59.1-42176.5167.90000111.6M81 F82 V88 K108 L129 I135M81-V85 HydrophobicContact CG-CG2 4.32Å; M81-V85 WeakPolarHBondContact O-CG2 3.35Å; M81-V85 PolarHBondContact O-N 2.92Å; M81-V85 HydrophobicContact SD-CG2 4.1Å; F82-V85 PolarHBondContact O-N 3.4Å; V85-V88 PolarHBondContact O-N 2.64Å; V85-K108 HydrophobicContact CG1-CD 3.9Å; V85-K108 HydrophobicContact CG1-CG 3.75Å; V85-L129 HydrophobicContact CG2-CD1 4.14Å; V85-L129 HydrophobicContact CG2-CD2 4.38Å; V85-I135 HydrophobicContact CG2-CD1 4.46Å
86R97.2Very high97.3Very high141 Ų14146.7 Ų46.753%0.53223%0.232SC..Hα-helixtrans-67.3-35.8174.1-72.2-168.966-174.2-0.5112.9F82 T83 M84 E89 S90 K108F82-R86 VanDerWaalsContact CE1-CD 3.41Å; F82-R86 HydrophobicContact CE1-CG 4.28Å; F82-R86 VanDerWaalsContact CZ-CD 3.45Å; F82-R86 HydrophobicContact CZ-CG 4.29Å; F82-R86 PolarHBondContact O-N 2.87Å; T83-R86 PolarHBondContact O-N 2.7Å; M84-R86 VanDerWaalsContact C-N 3.31Å; M84-R86 PolarHBondContact O-N 3.1Å; R86-E89 PolarHBondContact O-N 2.97Å; R86-S90 PolarHBondContact O-N 3.33Å; R86-S90 VanDerWaalsContact O-N 3.16Å; R86-S90 PolarHBondContact O-OG 3.36Å; R86-K108 HydrophobicContact CG-CD 4.43Å
87A97.2Very high97.2Very high6 Ų649.6 Ų49.65%0.0525%0.248CC..Hα-helixtrans-68.5-37.4176.900000111.7T83 M84 E89 S90 L91 C138 Y145T83-A87 WeakPolarHBondContact O-CB 3.4Å; T83-A87 PolarHBondContact O-N 3.31Å; M84-A87 CarbonylContact O-C 3.21Å; M84-A87 WeakPolarHBondContact O-CB 3.49Å; M84-A87 PolarHBondContact O-N 3.29Å; M84-A87 VanDerWaalsContact O-N 3.07Å; A87-E89 VanDerWaalsContact C-N 3.28Å; A87-E89 PolarHBondContact O-N 3.07Å; A87-S90 PolarHBondContact O-N 3.12Å; A87-S90 VanDerWaalsContact O-N 3.16Å; A87-L91 VanDerWaalsContact O-CB 3.28Å; A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 VanDerWaalsContact O-CG 3.24Å; A87-L91 WeakPolarHBondContact O-CG 3.44Å; A87-L91 PolarHBondContact O-N 3.35Å; A87-C138 VanDerWaalsContact CB-SG 3.5Å; A87-Y145 HydrophobicContact CB-CD1 3.62Å; A87-Y145 HydrophobicContact CB-CD2 3.73Å; A87-Y145 HydrophobicContact CB-CE1 3.66Å; A87-Y145 HydrophobicContact CB-CE2 3.76Å; A87-Y145 HydrophobicContact CB-CG 3.66Å
88V96.7Very high97Very high2 Ų254.9 Ų54.91%0.01228%0.282CS..Hα-helixtrans-53.3-45.6173.4168.10000111.3M84 V85 K92 I93 Y95 I135 C138M84-V88 WeakPolarHBondContact O-CG2 3.36Å; M84-V88 PolarHBondContact O-N 3.44Å; V85-V88 PolarHBondContact O-N 2.64Å; V88-K92 WeakPolarHBondContact O-CA 3.28Å; V88-K92 PolarHBondContact O-N 3.41Å; V88-I93 HydrophobicContact CG1-CB 4.28Å; V88-I93 WeakPolarHBondContact CG1-O 3.19Å; V88-I93 PolarHBondContact O-N 3.5Å; V88-Y95 HydrophobicContact CG1-CE1 4.24Å; V88-Y95 HydrophobicContact CG1-CE2 4.24Å; V88-I135 HydrophobicContact CG2-CD1 3.58Å; V88-I135 HydrophobicContact CG2-CG1 4.44Å; V88-C138 HydrophobicContact CG2-CB 3.7Å
89E94.4Very high96.8Very high95 Ų9557.1 Ų57.144%0.44430%0.301SS..Hα-helixtrans-66.1-45.5177.4-64.1178.8163.800112.4R86 A87 L91 K92 K108R86-E89 PolarHBondContact O-N 2.97Å; A87-E89 VanDerWaalsContact C-N 3.28Å; A87-E89 PolarHBondContact O-N 3.07Å; E89-L91 PolarHBondContact O-N 3.27Å; E89-K92 PolarHBondContact O-N 3.34Å; E89-K108 IonicContact OE1-NZ 3.7Å; E89-K108 PolarHBondContact OE1-NZ 3.07Å; E89-K108 IonicContact OE2-NZ 3.17Å
90S95.5Very high96.8Very high93 Ų9355.1 Ų55.165%0.6529%0.291SS*.Hα-helixtrans-65.7-39.6-177.6-56.30000111.9R86 A87 K92R86-S90 PolarHBondContact O-N 3.33Å; R86-S90 VanDerWaalsContact O-N 3.16Å; R86-S90 PolarHBondContact O-OG 3.36Å; A87-S90 PolarHBondContact O-N 3.12Å; A87-S90 VanDerWaalsContact O-N 3.16Å; S90-K92 VanDerWaalsContact C-N 3.29Å
91L96.9Very high96.7Very high36 Ų3661.6 Ų61.619%0.18832%0.319CS..THydrogen-bonded Turntrans-84.3-3.8177.8-59.2-179.5000112.9A87 E89 I93 R141 E144 Y145A87-L91 VanDerWaalsContact O-CB 3.28Å; A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 VanDerWaalsContact O-CG 3.24Å; A87-L91 WeakPolarHBondContact O-CG 3.44Å; A87-L91 PolarHBondContact O-N 3.35Å; E89-L91 PolarHBondContact O-N 3.27Å; L91-I93 VanDerWaalsContact C-N 3.29Å; L91-I93 HydrophobicContact CB-CD1 3.82Å; L91-I93 HydrophobicContact CB-CG1 3.89Å; L91-I93 HydrophobicContact CD1-CD1 4.05Å; L91-I93 PolarHBondContact O-N 3.33Å; L91-R141 HydrophobicContact CD1-CB 4.05Å; L91-E144 HydrophobicContact CD2-CB 4.33Å; L91-E144 WeakPolarHBondContact CD2-OE2 3.11Å; L91-Y145 HydrophobicContact CD1-CD1 4.2Å; L91-Y145 HydrophobicContact CD1-CE1 4.16Å
92K97.2Very high96.7Very high185 Ų18564.8 Ų64.880%0.80435%0.345SS*.THydrogen-bonded Turntrans56.439.6-179.8-55.8179.1-177.8175.20113.4V88 E89 S90V88-K92 WeakPolarHBondContact O-CA 3.28Å; V88-K92 PolarHBondContact O-N 3.41Å; E89-K92 PolarHBondContact O-N 3.34Å; S90-K92 VanDerWaalsContact C-N 3.29Å
93I96.9Very high96.7Very high10 Ų1066.7 Ų66.75%0.05135%0.352CS..PPolyproline II helixtrans-86.5124.7177.3-57.5170.2000107.7V88 L91 G134 E137 C138V88-I93 HydrophobicContact CG1-CB 4.28Å; V88-I93 WeakPolarHBondContact CG1-O 3.19Å; V88-I93 PolarHBondContact O-N 3.5Å; L91-I93 VanDerWaalsContact C-N 3.29Å; L91-I93 HydrophobicContact CB-CD1 3.82Å; L91-I93 HydrophobicContact CB-CG1 3.89Å; L91-I93 HydrophobicContact CD1-CD1 4.05Å; L91-I93 PolarHBondContact O-N 3.33Å; I93-G134 WeakPolarHBondContact CG2-O 3.24Å; I93-E137 HydrophobicContact CD1-CG 4.26Å; I93-E137 HydrophobicContact CG2-CB 4.46Å; I93-C138 HydrophobicContact CD1-CB 3.86Å
94P95.5Very high96.6Very high102 Ų10265.1 Ų65.166%0.66234%0.343SS*.PPolyproline II helixtrans-75.1143.1174.830.4-32.9000110.8
95Y97.3Very high96.6Very high43 Ų4369 Ų6917%0.16936%0.36CS..PPolyproline II helixtrans-65.6135.4163.8-66.3-70.7000109.7V88 N100 K101 L129 I135V88-Y95 HydrophobicContact CG1-CE1 4.24Å; V88-Y95 HydrophobicContact CG1-CE2 4.24Å; Y95-N100 HydrophobicContact CD1-CB 3.71Å; Y95-N100 HydrophobicContact CE1-CB 4.25Å; Y95-N100 HydrophobicContact CG-CB 3.98Å; Y95-K101 HydrophobicContact CD2-CB 4.24Å; Y95-L129 HydrophobicContact CD1-CD2 4.39Å; Y95-L129 HydrophobicContact CE1-CD2 3.66Å; Y95-I135 HydrophobicContact CD1-CG1 4.4Å; Y95-I135 HydrophobicContact CE1-CD1 3.97Å; Y95-I135 HydrophobicContact CE1-CG1 3.94Å
96E97Very high96.5Very high141 Ų14171.2 Ų71.266%0.65938%0.379SS*.SBendtrans-73.7-40.9173.7-173.2168.1160.500110.7P98 D132 P133E96-P98 WeakPolarHBondContact O-CD 3.47Å; E96-D132 PolarHBondContact N-OD1 3.45Å; E96-D132 PolarHBondContact N-OD2 3.22Å; E96-P133 WeakPolarHBondContact OE2-CB 3.18Å; E96-P133 WeakPolarHBondContact OE2-CG 3.47Å
97N96.7Very high96.5Very high69 Ų6964.6 Ų64.637%0.36936%0.355SS..SBendtrans-89.4115.3172.4179.20.1000110.4A99 N100 D132N97-A99 PolarHBondContact O-N 2.93Å; N97-A99 VanDerWaalsContact O-N 3.09Å; N97-A99 WeakPolarHBondContact OD1-CB 3.35Å; N97-A99 PolarHBondContact OD1-N 2.78Å; N97-N100 VanDerWaalsContact O-CB 3.31Å; N97-N100 WeakPolarHBondContact O-CB 3.46Å; N97-N100 PolarHBondContact O-N 3.22Å; N97-D132 PolarHBondContact N-OD2 2.91Å
98P94.5Very high96.5Very high111 Ų11166.3 Ų66.372%0.72136%0.361SS*.THydrogen-bonded Turntrans-59.4-26.4-179.7-25.135.5000114.4E96 N100 K101E96-P98 WeakPolarHBondContact O-CD 3.47Å; P98-N100 PolarHBondContact O-N 3.09Å; P98-K101 WeakPolarHBondContact O-CB 3.38Å; P98-K101 PolarHBondContact O-N 2.59Å
99A93.4Very high96.5Very high50 Ų5073.9 Ų73.941%0.41340%0.396SS..THydrogen-bonded Turntrans-64.7-28.3176.500000112.4N97 K101 A102 Y103N97-A99 PolarHBondContact O-N 2.93Å; N97-A99 VanDerWaalsContact O-N 3.09Å; N97-A99 WeakPolarHBondContact OD1-CB 3.35Å; N97-A99 PolarHBondContact OD1-N 2.78Å; A99-K101 PolarHBondContact O-N 2.84Å; A99-A102 PolarHBondContact O-N 2.89Å; A99-A102 VanDerWaalsContact O-N 3.09Å; A99-Y103 PolarHBondContact O-N 2.96Å
100N98Very high96.6Very high1 Ų170.7 Ų70.71%0.00538%0.382CS..Hα-helixtrans-66.4-19.1179.6-77.8-22.2000113.1Y95 N97 P98 A102 Y103 G104 S128 L129 D132Y95-N100 HydrophobicContact CD1-CB 3.71Å; Y95-N100 HydrophobicContact CE1-CB 4.25Å; Y95-N100 HydrophobicContact CG-CB 3.98Å; N97-N100 VanDerWaalsContact O-CB 3.31Å; N97-N100 WeakPolarHBondContact O-CB 3.46Å; N97-N100 PolarHBondContact O-N 3.22Å; P98-N100 PolarHBondContact O-N 3.09Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 2.87Å; N100-Y103 PolarHBondContact O-N 3.34Å; N100-Y103 WeakPolarHBondContact OD1-CD2 3.46Å; N100-G104 PolarHBondContact O-N 2.85Å; N100-S128 PolarHBondContact ND2-O 2.84Å; N100-S128 WeakPolarHBondContact OD1-CB 3.3Å; N100-S128 PolarHBondContact OD1-O 2.88Å; N100-S128 PolarHBondContact OD1-OG 3.43Å; N100-L129 HydrophobicContact CB-CD2 3.87Å; N100-D132 VanDerWaalsContact ND2-CB 3.31Å; N100-D132 WeakPolarHBondContact ND2-CB 3.29Å; N100-D132 PolarHBondContact ND2-OD2 3.49Å
101K96.6Very high96.6Very high138 Ų13870.1 Ų70.160%0.637%0.371SS*.Hα-helixtrans-59.1-46.6170-173.2175.2-179.6176.80111.4Y95 P98 A99 G104 E105Y95-K101 HydrophobicContact CD2-CB 4.24Å; P98-K101 WeakPolarHBondContact O-CB 3.38Å; P98-K101 PolarHBondContact O-N 2.59Å; A99-K101 PolarHBondContact O-N 2.84Å; K101-G104 PolarHBondContact O-N 2.84Å; K101-E105 WeakPolarHBondContact O-CG 3.41Å; K101-E105 PolarHBondContact O-N 3.48Å
102A97.2Very high96.6Very high67 Ų6771.5 Ų71.555%0.55438%0.375SS*.Hα-helixtrans-68.3-38.1179.200000112A99 N100 E105 A106A99-A102 PolarHBondContact O-N 2.89Å; A99-A102 VanDerWaalsContact O-N 3.09Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 2.87Å; A102-E105 PolarHBondContact O-N 2.85Å; A102-A106 WeakPolarHBondContact O-CB 3.47Å; A102-A106 PolarHBondContact O-N 2.78Å
103Y98Very high96.4Very high77 Ų7768.7 Ų68.730%0.30236%0.364SS..Hα-helixtrans-64.8-41.3173.6-67.3-37.3000112.4A99 N100 A106 I107 A125A99-Y103 PolarHBondContact O-N 2.96Å; N100-Y103 PolarHBondContact O-N 3.34Å; N100-Y103 WeakPolarHBondContact OD1-CD2 3.46Å; Y103-A106 PolarHBondContact O-N 3.3Å; Y103-I107 WeakPolarHBondContact O-CG1 3.25Å; Y103-I107 PolarHBondContact O-N 3.23Å; Y103-A125 HydrophobicContact CD1-CB 3.56Å; Y103-A125 HydrophobicContact CE1-CB 4.21Å; Y103-A125 HydrophobicContact CG-CB 3.75Å
104G97.4Very high96.4Very high1 Ų172.5 Ų72.51%0.0139%0.388CS..Hα-helixtrans-59.5-46.5174.900000112.1N100 K101 A106 I107 K108N100-G104 PolarHBondContact O-N 2.85Å; K101-G104 PolarHBondContact O-N 2.84Å; G104-A106 PolarHBondContact O-N 3.26Å; G104-I107 PolarHBondContact O-N 2.95Å; G104-K108 WeakPolarHBondContact O-CG 3.42Å; G104-K108 PolarHBondContact O-N 3.25Å; G104-K108 VanDerWaalsContact O-N 3.07Å
105E97.1Very high96.4Very high80 Ų8068.5 Ų68.537%0.37436%0.362SS..Hα-helixtrans-58.5-46.8173-65.1-53144.100111.8K101 A102 I107 K108 E109K101-E105 WeakPolarHBondContact O-CG 3.41Å; K101-E105 PolarHBondContact O-N 3.48Å; A102-E105 PolarHBondContact O-N 2.85Å; E105-I107 VanDerWaalsContact C-N 3.33Å; E105-I107 PolarHBondContact O-N 3.17Å; E105-K108 VanDerWaalsContact CD-CE 3.48Å; E105-K108 PolarHBondContact O-N 3.29Å; E105-K108 VanDerWaalsContact O-N 3.16Å; E105-K108 IonicContact OE1-NZ 3.92Å; E105-K108 PolarHBondContact OE1-NZ 2.99Å; E105-K108 WeakPolarHBondContact OE2-CE 3.31Å; E105-K108 IonicContact OE2-NZ 3.53Å; E105-K108 PolarHBondContact OE2-NZ 3.47Å; E105-E109 PolarHBondContact O-N 2.94Å
106A96.4Very high96.2Very high48 Ų4870.5 Ų70.540%0.39738%0.379SS..Hα-helixtrans-60.5-39.6179.200000112.9A102 Y103 G104 E109 I110A102-A106 WeakPolarHBondContact O-CB 3.47Å; A102-A106 PolarHBondContact O-N 2.78Å; Y103-A106 PolarHBondContact O-N 3.3Å; G104-A106 PolarHBondContact O-N 3.26Å; A106-E109 PolarHBondContact O-N 3.15Å; A106-I110 WeakPolarHBondContact O-CG1 3.21Å
107I97Very high96.1Very high2 Ų267.7 Ų67.71%0.0137%0.371CS..Hα-helixtrans-69.2-34.8177-64.9-60.1000112Y78 M81 F82 Y103 G104 E105 E109 I110 A125 I126 L129Y78-I107 HydrophobicContact CE1-CD1 4.37Å; M81-I107 HydrophobicContact CB-CG2 4.32Å; M81-I107 HydrophobicContact CG-CG1 4.42Å; M81-I107 HydrophobicContact CG-CG2 4.03Å; F82-I107 HydrophobicContact CB-CG2 4.36Å; Y103-I107 WeakPolarHBondContact O-CG1 3.25Å; Y103-I107 PolarHBondContact O-N 3.23Å; G104-I107 PolarHBondContact O-N 2.95Å; E105-I107 VanDerWaalsContact C-N 3.33Å; E105-I107 PolarHBondContact O-N 3.17Å; I107-E109 VanDerWaalsContact C-N 3.26Å; I107-E109 PolarHBondContact O-N 3.29Å; I107-I110 HydrophobicContact CD1-CD1 3.89Å; I107-I110 PolarHBondContact O-N 2.96Å; I107-A125 HydrophobicContact CD1-CB 4.41Å; I107-I126 HydrophobicContact CD1-CD1 4.27Å; I107-I126 HydrophobicContact CD1-CG1 3.76Å; I107-I126 HydrophobicContact CG1-CG1 4.49Å; I107-L129 HydrophobicContact CG1-CD1 3.88Å
108K96.4Very high96Very high42 Ų4265.4 Ų65.418%0.18336%0.358CS..Hα-helixtrans-63.8-29.5177.6-77.4-175.9-63.9174.20113.4F82 V85 R86 E89 G104 E105 I110F82-K108 HydrophobicContact CD2-CG 4.47Å; F82-K108 HydrophobicContact CE2-CB 4.37Å; F82-K108 HydrophobicContact CE2-CG 4.4Å; F82-K108 WeakPolarHBondContact CE2-O 3.26Å; V85-K108 HydrophobicContact CG1-CD 3.9Å; V85-K108 HydrophobicContact CG1-CG 3.75Å; R86-K108 HydrophobicContact CG-CD 4.43Å; E89-K108 IonicContact OE1-NZ 3.7Å; E89-K108 PolarHBondContact OE1-NZ 3.07Å; E89-K108 IonicContact OE2-NZ 3.17Å; G104-K108 WeakPolarHBondContact O-CG 3.42Å; G104-K108 PolarHBondContact O-N 3.25Å; G104-K108 VanDerWaalsContact O-N 3.07Å; E105-K108 VanDerWaalsContact CD-CE 3.48Å; E105-K108 PolarHBondContact O-N 3.29Å; E105-K108 VanDerWaalsContact O-N 3.16Å; E105-K108 IonicContact OE1-NZ 3.92Å; E105-K108 PolarHBondContact OE1-NZ 2.99Å; E105-K108 WeakPolarHBondContact OE2-CE 3.31Å; E105-K108 IonicContact OE2-NZ 3.53Å; E105-K108 PolarHBondContact OE2-NZ 3.47Å; K108-I110 VanDerWaalsContact C-N 3.28Å; K108-I110 PolarHBondContact O-N 3.17Å
109E96.5Very high96Very high161 Ų16163.9 Ų63.975%0.75234%0.342SS*.THydrogen-bonded Turntrans-78.2-10.8178.5-63.9-60.313200113.4E105 A106 I107 D111E105-E109 PolarHBondContact O-N 2.94Å; A106-E109 PolarHBondContact O-N 3.15Å; I107-E109 VanDerWaalsContact C-N 3.26Å; I107-E109 PolarHBondContact O-N 3.29Å; E109-D111 PolarHBondContact O-N 3.31Å
110I96.3Very high96.2Very high27 Ų2766.6 Ų66.614%0.13836%0.355CS..SBendtrans-83.6119.4-179.4-59.6171.5000109.6Y78 A106 I107 K108 Y112 V115Y78-I110 HydrophobicContact CD1-CD1 3.96Å; Y78-I110 HydrophobicContact CD1-CG2 4.04Å; Y78-I110 HydrophobicContact CE1-CD1 3.59Å; Y78-I110 HydrophobicContact CE1-CG2 4.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.21Å; I107-I110 HydrophobicContact CD1-CD1 3.89Å; I107-I110 PolarHBondContact O-N 2.96Å; K108-I110 VanDerWaalsContact C-N 3.28Å; K108-I110 PolarHBondContact O-N 3.17Å; I110-Y112 PolarHBondContact O-N 3.47Å; I110-V115 HydrophobicContact CG2-CG2 3.68Å
111D96.8Very high96Very high82 Ų8272.6 Ų72.644%0.43938%0.383SS..  trans-72.595.2164-177.6-5.7000109.7E109 E113 T114E109-D111 PolarHBondContact O-N 3.31Å; D111-E113 PolarHBondContact O-N 3.2Å; D111-E113 VanDerWaalsContact O-N 3.11Å; D111-E113 WeakPolarHBondContact OD1-CB 3.34Å; D111-E113 PolarHBondContact OD1-N 2.82Å; D111-T114 HydrophobicContact CB-CG2 4.25Å; D111-T114 PolarHBondContact O-N 3.31Å; D111-T114 PolarHBondContact O-OG1 2.86Å; D111-T114 VanDerWaalsContact OD2-CG2 3.24Å; D111-T114 WeakPolarHBondContact OD2-CG2 3.43Å
112Y95.9Very high96.1Very high65 Ų6567.6 Ų67.626%0.25536%0.362SS..THydrogen-bonded Turntrans-59.9-20.2-17960-101.9000113.3Q75 M79 F82 I110 T114Q75-Y112 VanDerWaalsContact CG-O 3.24Å; Q75-Y112 WeakPolarHBondContact CG-O 3.32Å; M79-Y112 HydrophobicContact CB-CD1 4.4Å; M79-Y112 HydrophobicContact CB-CD2 3.9Å; M79-Y112 HydrophobicContact CB-CE2 4.17Å; M79-Y112 HydrophobicContact CB-CG 4.03Å; M79-Y112 HydrophobicContact CG-CD2 4.29Å; M79-Y112 HydrophobicContact CG-CE1 4.47Å; M79-Y112 HydrophobicContact CG-CE2 4.04Å; M79-Y112 HydrophobicContact SD-CE2 4.31Å; F82-Y112 HydrophobicContact CB-CD1 4.46Å; F82-Y112 HydrophobicContact CD1-CD1 4.43Å; F82-Y112 HydrophobicContact CD1-CE1 4.06Å; F82-Y112 HydrophobicContact CE1-CE1 4.31Å; F82-Y112 HydrophobicContact CG-CD1 4.31Å; F82-Y112 HydrophobicContact CG-CE1 4.39Å; I110-Y112 PolarHBondContact O-N 3.47Å; Y112-T114 VanDerWaalsContact C-N 3.3Å
113E94.4Very high96.1Very high126 Ų12665 Ų6559%0.58934%0.339SS*.THydrogen-bonded Turntrans-73.7-25.5177.7-59.1-170.4166.600112Q75 D111Q75-E113 PolarHBondContact NE2-O 2.87Å; D111-E113 PolarHBondContact O-N 3.2Å; D111-E113 VanDerWaalsContact O-N 3.11Å; D111-E113 WeakPolarHBondContact OD1-CB 3.34Å; D111-E113 PolarHBondContact OD1-N 2.82Å
114T95.3Very high96.1Very high90 Ų9065.2 Ų65.255%0.55235%0.348SS*.THydrogen-bonded Turntrans-90.8-14.8-177.666.60000113.6D111 Y112 T116D111-T114 HydrophobicContact CB-CG2 4.25Å; D111-T114 PolarHBondContact O-N 3.31Å; D111-T114 PolarHBondContact O-OG1 2.86Å; D111-T114 VanDerWaalsContact OD2-CG2 3.24Å; D111-T114 WeakPolarHBondContact OD2-CG2 3.43Å; Y112-T114 VanDerWaalsContact C-N 3.3Å; T114-T116 PolarHBondContact O-N 2.67Å
115V95.5Very high96.1Very high18 Ų1865.3 Ų65.311%0.10935%0.349CS..  trans-59.8136-176.7174.10000111.7K71 Y78 I110 T117K71-V115 WeakPolarHBondContact CE-O 3.31Å; K71-V115 WeakPolarHBondContact CG-O 3.5Å; Y78-V115 HydrophobicContact CD2-CB 4.23Å; Y78-V115 HydrophobicContact CD2-CG1 3.72Å; Y78-V115 HydrophobicContact CD2-CG2 3.99Å; Y78-V115 HydrophobicContact CE2-CB 4.41Å; Y78-V115 HydrophobicContact CE2-CG1 3.52Å; Y78-V115 HydrophobicContact CE2-CG2 4.2Å; Y78-V115 HydrophobicContact CG-CG2 4.27Å; I110-V115 HydrophobicContact CG2-CG2 3.68Å; V115-T117 WeakPolarHBondContact CG1-O 3.39Å
116T94.9Very high96.2Very high85 Ų8561.5 Ų61.552%0.52133%0.331SS..  trans-125.1-14.7174.654.90000113.9K71 Y74 T114K71-T116 HydrophobicContact CD-CG2 4.09Å; K71-T116 HydrophobicContact CG-CG2 4.43Å; Y74-T116 WeakPolarHBondContact CD2-O 3.28Å; T114-T116 PolarHBondContact O-N 2.67Å
117T94.8Very high96.2Very high81 Ų8162 Ų6250%0.49732%0.324SS..SBendtrans-141.1155.9-176.155.80000111.5V115V115-T117 WeakPolarHBondContact CG1-O 3.39Å
118M94.8Very high96.3Very high21 Ų2163.3 Ų63.310%0.10333%0.334CS..  trans-92.399.7169.1-69.3-65.3-58.200110Y74 I77 Y78 V123 I126 L158Y74-M118 HydrophobicContact CD1-CG 3.33Å; Y74-M118 HydrophobicContact CD1-SD 3.82Å; Y74-M118 HydrophobicContact CD2-CG 4.06Å; Y74-M118 HydrophobicContact CE1-CB 4.45Å; Y74-M118 HydrophobicContact CE1-CG 3.36Å; Y74-M118 HydrophobicContact CE1-SD 4.42Å; Y74-M118 HydrophobicContact CE2-CG 4.08Å; Y74-M118 HydrophobicContact CG-CG 3.69Å; Y74-M118 HydrophobicContact CG-SD 4Å; I77-M118 HydrophobicContact CG2-CE 4.37Å; Y78-M118 HydrophobicContact CD2-SD 4.17Å; Y78-M118 HydrophobicContact CE2-CE 4.24Å; Y78-M118 HydrophobicContact CE2-SD 3.4Å; Y78-M118 WeakPolarHBondContact CE2-SD 3.46Å; M118-V123 HydrophobicContact CB-CG2 3.96Å; M118-V123 HydrophobicContact CE-CG2 3.72Å; M118-I126 HydrophobicContact CE-CD1 4.04Å; M118-L158 HydrophobicContact CE-CD1 3.6Å
119E94.4Very high96.4Very high79 Ų7961.3 Ų61.337%0.36933%0.325SS..  trans-70.3139.4178.3-59.6-172.1170.700111.2Q121 H122 V123E119-Q121 HydrophobicContact CB-CG 4.15Å; E119-Q121 PolarHBondContact O-N 2.86Å; E119-Q121 VanDerWaalsContact O-N 3.13Å; E119-Q121 PolarHBondContact OE2-NE2 2.95Å; E119-H122 HydrophobicContact CB-CB 4.45Å; E119-H122 WeakPolarHBondContact O-CB 3.38Å; E119-H122 PolarHBondContact O-N 3.1Å; E119-H122 IonicContact OE2-CE1 3.73Å; E119-H122 PolarHBondContact OE2-CE1 3.12Å; E119-H122 IonicContact OE2-ND1 2.71Å; E119-H122 IonicContact OE2-NE2 3.86Å; E119-V123 WeakPolarHBondContact O-CG2 3.28Å; E119-V123 PolarHBondContact O-N 2.83Å
120P95.8Very high96.5Very high107 Ų10754.2 Ų54.270%0.69529%0.291SS*.Hα-helixtrans-53.2-39.5-177.3-2935.2000113.9V123 V124P120-V123 PolarHBondContact O-N 3.34Å; P120-V124 WeakPolarHBondContact O-CG2 3.38Å; P120-V124 PolarHBondContact O-N 3.33Å
121Q95.8Very high96.6Very high127 Ų12758.4 Ų58.459%0.59331%0.314SS*.Hα-helixtrans-64-39.4177.463.9-16411.600112.9E119 V124 A125E119-Q121 HydrophobicContact CB-CG 4.15Å; E119-Q121 PolarHBondContact O-N 2.86Å; E119-Q121 VanDerWaalsContact O-N 3.13Å; E119-Q121 PolarHBondContact OE2-NE2 2.95Å; Q121-V124 PolarHBondContact O-N 3.18Å; Q121-A125 WeakPolarHBondContact O-CB 3.48Å; Q121-A125 PolarHBondContact O-N 3.05Å
122H96.7Very high96.7Very high33 Ų3354.7 Ų54.715%0.15329%0.294CS..Hα-helixtrans-71.1-37.2175.9-60.6156.2000111.3Y78 E119 V124 A125 I126Y78-H122 HydrophobicContact CE1-CB 3.82Å; Y78-H122 AromaticContact CE1-CG 3.94Å; Y78-H122 AromaticContact CE1-ND1 3.86Å; Y78-H122 AromaticContact CZ-ND1 3.77Å; Y78-H122 WeakPolarHBondContact OH-CB 3.31Å; Y78-H122 VanDerWaalsContact OH-CG 3.28Å; Y78-H122 PolarHBondContact OH-ND1 3.13Å; E119-H122 HydrophobicContact CB-CB 4.45Å; E119-H122 WeakPolarHBondContact O-CB 3.38Å; E119-H122 PolarHBondContact O-N 3.1Å; E119-H122 IonicContact OE2-CE1 3.73Å; E119-H122 PolarHBondContact OE2-CE1 3.12Å; E119-H122 IonicContact OE2-ND1 2.71Å; E119-H122 IonicContact OE2-NE2 3.86Å; H122-V124 VanDerWaalsContact C-N 3.33Å; H122-V124 PolarHBondContact O-N 3.29Å; H122-A125 PolarHBondContact O-N 2.81Å; H122-I126 WeakPolarHBondContact O-CB 3.42Å; H122-I126 WeakPolarHBondContact O-CG1 3.28Å; H122-I126 PolarHBondContact O-N 2.99Å
123V97.8Very high96.8Very high13 Ų1354.7 Ų54.78%0.07930%0.302CS..Hα-helixtrans-60.4-44.91751770000110.6M118 E119 P120 K127 L158M118-V123 HydrophobicContact CB-CG2 3.96Å; M118-V123 HydrophobicContact CE-CG2 3.72Å; E119-V123 WeakPolarHBondContact O-CG2 3.28Å; E119-V123 PolarHBondContact O-N 2.83Å; P120-V123 PolarHBondContact O-N 3.34Å; V123-K127 HydrophobicContact CG1-CD 4.28Å; V123-K127 WeakPolarHBondContact O-CB 3.3Å; V123-K127 VanDerWaalsContact O-CG 3.32Å; V123-K127 WeakPolarHBondContact O-CG 3.26Å; V123-K127 PolarHBondContact O-N 3.1Å; V123-L158 HydrophobicContact CG1-CG 4.37Å
124V97.8Very high97Very high81 Ų8149 Ų4949%0.49128%0.277SS..Hα-helixtrans-60.4-46.7175.3172.30000111.2P120 Q121 H122 K127 S128P120-V124 WeakPolarHBondContact O-CG2 3.38Å; P120-V124 PolarHBondContact O-N 3.33Å; Q121-V124 PolarHBondContact O-N 3.18Å; H122-V124 VanDerWaalsContact C-N 3.33Å; H122-V124 PolarHBondContact O-N 3.29Å; V124-K127 PolarHBondContact O-N 3.11Å; V124-S128 WeakPolarHBondContact O-CB 3.37Å; V124-S128 PolarHBondContact O-N 3.33Å
125A97.9Very high97.1Very high3 Ų344.7 Ų44.73%0.02525%0.25CS..Hα-helixtrans-60.8-49.9178.400000112.3Y103 I107 Q121 H122 K127 S128 L129Y103-A125 HydrophobicContact CD1-CB 3.56Å; Y103-A125 HydrophobicContact CE1-CB 4.21Å; Y103-A125 HydrophobicContact CG-CB 3.75Å; I107-A125 HydrophobicContact CD1-CB 4.41Å; Q121-A125 WeakPolarHBondContact O-CB 3.48Å; Q121-A125 PolarHBondContact O-N 3.05Å; H122-A125 PolarHBondContact O-N 2.81Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.13Å; A125-S128 PolarHBondContact O-N 3.33Å; A125-L129 WeakPolarHBondContact O-CB 3.34Å; A125-L129 VanDerWaalsContact O-CG 3.29Å; A125-L129 WeakPolarHBondContact O-CG 3.34Å; A125-L129 PolarHBondContact O-N 2.98Å
126I98.5Very high97.2Very high0 Ų047 Ų470%026%0.259CS..Hα-helixtrans-64-39.4-178.7-65.5165.7000110.8I77 Y78 M81 I107 M118 H122 W130 L155 L158I77-I126 HydrophobicContact CG2-CD1 4.12Å; I77-I126 HydrophobicContact CG2-CG2 4.41Å; Y78-I126 HydrophobicContact CD1-CD1 4.15Å; Y78-I126 HydrophobicContact CE1-CD1 3.9Å; M81-I126 HydrophobicContact CE-CG2 3.84Å; M81-I126 HydrophobicContact CG-CG1 4.26Å; M81-I126 HydrophobicContact CG-CG2 4.45Å; I107-I126 HydrophobicContact CD1-CD1 4.27Å; I107-I126 HydrophobicContact CD1-CG1 3.76Å; I107-I126 HydrophobicContact CG1-CG1 4.49Å; M118-I126 HydrophobicContact CE-CD1 4.04Å; H122-I126 WeakPolarHBondContact O-CB 3.42Å; H122-I126 WeakPolarHBondContact O-CG1 3.28Å; H122-I126 PolarHBondContact O-N 2.99Å; I126-W130 VanDerWaalsContact O-CB 3.29Å; I126-W130 WeakPolarHBondContact O-CB 3.4Å; I126-W130 PolarHBondContact O-N 2.93Å; I126-L155 HydrophobicContact CG2-CD2 3.58Å; I126-L158 HydrophobicContact CB-CD2 3.92Å; I126-L158 HydrophobicContact CG2-CD2 3.51Å
127K98.1Very high97.3Very high59 Ų5947.2 Ų47.226%0.25725%0.254SS..Hα-helixtrans-64-50.7174.4-75.5-177.8176.1-179.30112V123 V124 A125 L129 W130 D131 L158 D159V123-K127 HydrophobicContact CG1-CD 4.28Å; V123-K127 WeakPolarHBondContact O-CB 3.3Å; V123-K127 VanDerWaalsContact O-CG 3.32Å; V123-K127 WeakPolarHBondContact O-CG 3.26Å; V123-K127 PolarHBondContact O-N 3.1Å; V124-K127 PolarHBondContact O-N 3.11Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.13Å; K127-L129 PolarHBondContact O-N 2.95Å; K127-W130 PolarHBondContact O-N 3.33Å; K127-W130 VanDerWaalsContact O-N 3.09Å; K127-D131 WeakPolarHBondContact O-CB 3.36Å; K127-D131 PolarHBondContact O-N 3.46Å; K127-L158 HydrophobicContact CG-CD2 3.61Å; K127-L158 HydrophobicContact CG-CG 4.39Å; K127-D159 WeakPolarHBondContact CE-OD1 3.29Å; K127-D159 IonicContact NZ-OD1 3.56Å; K127-D159 PolarHBondContact NZ-OD1 2.89Å; K127-D159 IonicContact NZ-OD2 3.54Å; K127-D159 PolarHBondContact NZ-OD2 3Å
128S98.4Very high97.5Very high30 Ų3043.4 Ų43.421%0.2123%0.231CC..Hα-helixtrans-58.4-38179.2-172.90000111.9N100 V124 A125 D132N100-S128 PolarHBondContact ND2-O 2.84Å; N100-S128 WeakPolarHBondContact OD1-CB 3.3Å; N100-S128 PolarHBondContact OD1-O 2.88Å; N100-S128 PolarHBondContact OD1-OG 3.43Å; V124-S128 WeakPolarHBondContact O-CB 3.37Å; V124-S128 PolarHBondContact O-N 3.33Å; A125-S128 PolarHBondContact O-N 3.33Å; S128-D132 PolarHBondContact O-N 3.49Å
129L98.6Very high97.6Very high0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-68.2-49.6172.4-73.7164.6000111.5M81 V85 Y95 N100 I107 A125 K127 D131 D132 I135M81-L129 HydrophobicContact CE-CB 3.85Å; M81-L129 HydrophobicContact CG-CD1 3.99Å; M81-L129 HydrophobicContact SD-CB 3.68Å; M81-L129 HydrophobicContact SD-CD1 3.91Å; M81-L129 HydrophobicContact SD-CG 4.37Å; V85-L129 HydrophobicContact CG2-CD1 4.14Å; V85-L129 HydrophobicContact CG2-CD2 4.38Å; Y95-L129 HydrophobicContact CD1-CD2 4.39Å; Y95-L129 HydrophobicContact CE1-CD2 3.66Å; N100-L129 HydrophobicContact CB-CD2 3.87Å; I107-L129 HydrophobicContact CG1-CD1 3.88Å; A125-L129 WeakPolarHBondContact O-CB 3.34Å; A125-L129 VanDerWaalsContact O-CG 3.29Å; A125-L129 WeakPolarHBondContact O-CG 3.34Å; A125-L129 PolarHBondContact O-N 2.98Å; K127-L129 PolarHBondContact O-N 2.95Å; L129-D131 PolarHBondContact O-N 3.2Å; L129-D132 WeakPolarHBondContact O-CB 3.47Å; L129-D132 PolarHBondContact O-N 3.09Å; L129-I135 HydrophobicContact CB-CG1 4.41Å; L129-I135 HydrophobicContact CD2-CD1 4.46Å; L129-I135 HydrophobicContact CD2-CG1 4.35Å; L129-I135 WeakPolarHBondContact O-CB 3.39Å; L129-I135 VanDerWaalsContact O-CG1 3.23Å; L129-I135 WeakPolarHBondContact O-CG1 3.48Å; L129-I135 WeakPolarHBondContact O-CG2 3.09Å
130W98.5Very high97.7Very high12 Ų1244.3 Ų44.35%0.04524%0.237CC..Hα-helixtrans-63-30.4-177.3-176.2-128.6000113.2M81 M84 I126 K127 D132 I135 K136 Y139 K152 L155 D156M81-W130 HydrophobicContact CE-CB 4.03Å; M84-W130 HydrophobicContact CE-CE3 4.04Å; M84-W130 HydrophobicContact CE-CZ3 4.14Å; M84-W130 HydrophobicContact SD-CZ3 4.06Å; I126-W130 VanDerWaalsContact O-CB 3.29Å; I126-W130 WeakPolarHBondContact O-CB 3.4Å; I126-W130 PolarHBondContact O-N 2.93Å; K127-W130 PolarHBondContact O-N 3.33Å; K127-W130 VanDerWaalsContact O-N 3.09Å; W130-D132 VanDerWaalsContact C-N 3.32Å; W130-I135 HydrophobicContact CE3-CG2 3.9Å; W130-I135 HydrophobicContact CZ3-CG2 4.34Å; W130-K136 HydrophobicContact CE3-CD 4.39Å; W130-K136 HydrophobicContact CH2-CD 4.28Å; W130-K136 VanDerWaalsContact CZ2-NZ 3.28Å; W130-K136 HydrophobicContact CZ3-CD 4.2Å; W130-K136 VanDerWaalsContact NE1-NZ 3.2Å; W130-K136 WeakPolarHBondContact O-CD 3.22Å; W130-K136 WeakPolarHBondContact O-CE 3.47Å; W130-K136 PolarHBondContact O-NZ 2.97Å; W130-Y139 HydrophobicContact CH2-CD1 4.2Å; W130-Y139 AromaticContact CH2-CD2 3.92Å; W130-Y139 HydrophobicContact CH2-CD2 3.92Å; W130-Y139 HydrophobicContact CH2-CE2 4.38Å; W130-Y139 AromaticContact CH2-CG 3.83Å; W130-Y139 HydrophobicContact CH2-CG 3.83Å; W130-Y139 HydrophobicContact CZ3-CD2 4.12Å; W130-Y139 HydrophobicContact CZ3-CG 4.02Å; W130-K152 HydrophobicContact CZ2-CB 4.43Å; W130-K152 HydrophobicContact CZ2-CG 4.11Å; W130-L155 HydrophobicContact CD2-CB 3.74Å; W130-L155 HydrophobicContact CD2-CD1 3.8Å; W130-L155 HydrophobicContact CD2-CG 4.35Å; W130-L155 HydrophobicContact CE3-CB 4.46Å; W130-L155 HydrophobicContact CE3-CD1 3.66Å; W130-L155 HydrophobicContact CG-CB 3.79Å; W130-L155 HydrophobicContact CG-CD1 4.37Å; W130-L155 HydrophobicContact CH2-CD1 4.45Å; W130-L155 HydrophobicContact CZ2-CB 4.33Å; W130-L155 HydrophobicContact CZ3-CD1 4.01Å; W130-D156 PolarHBondContact NE1-OD1 3.28Å
131D98.3Very high97.7Very high115 Ų11542.5 Ų42.562%0.61522%0.217SC*.THydrogen-bonded Turntrans-83-6.4176.2-66.2-28.2000113.3K127 L129 P133K127-D131 WeakPolarHBondContact O-CB 3.36Å; K127-D131 PolarHBondContact O-N 3.46Å; L129-D131 PolarHBondContact O-N 3.2Å; D131-P133 WeakPolarHBondContact O-CD 3.49Å
132D98.5Very high97.7Very high3 Ų337.9 Ų37.92%0.01619%0.194CC..  trans-72.8127.2177.7-164.7-83.3000111.4E96 N97 N100 S128 L129 W130 G134 I135 K136E96-D132 PolarHBondContact N-OD1 3.45Å; E96-D132 PolarHBondContact N-OD2 3.22Å; N97-D132 PolarHBondContact N-OD2 2.91Å; N100-D132 VanDerWaalsContact ND2-CB 3.31Å; N100-D132 WeakPolarHBondContact ND2-CB 3.29Å; N100-D132 PolarHBondContact ND2-OD2 3.49Å; S128-D132 PolarHBondContact O-N 3.49Å; L129-D132 WeakPolarHBondContact O-CB 3.47Å; L129-D132 PolarHBondContact O-N 3.09Å; W130-D132 VanDerWaalsContact C-N 3.32Å; D132-G134 PolarHBondContact O-N 3.33Å; D132-G134 WeakPolarHBondContact OD1-CA 3.28Å; D132-G134 PolarHBondContact OD1-N 3.37Å; D132-I135 HydrophobicContact CB-CB 4.17Å; D132-I135 HydrophobicContact CB-CG1 4.13Å; D132-I135 PolarHBondContact O-N 2.83Å; D132-K136 PolarHBondContact O-N 2.99Å
133P98.1Very high97.5Very high66 Ų6640.2 Ų40.243%0.42920%0.201SC..Hα-helixtrans-58.9-30176.9-32.742.7000114.6E96 D131 K136 E137E96-P133 WeakPolarHBondContact OE2-CB 3.18Å; E96-P133 WeakPolarHBondContact OE2-CG 3.47Å; D131-P133 WeakPolarHBondContact O-CD 3.49Å; P133-K136 PolarHBondContact O-N 2.9Å; P133-E137 PolarHBondContact O-N 2.74Å
134G97.7Very high97.3Very high5 Ų543.9 Ų43.95%0.05222%0.217CC..Hα-helixtrans-67.6-36.817300000112.7I93 D132 C138I93-G134 WeakPolarHBondContact CG2-O 3.24Å; D132-G134 PolarHBondContact O-N 3.33Å; D132-G134 WeakPolarHBondContact OD1-CA 3.28Å; D132-G134 PolarHBondContact OD1-N 3.37Å; G134-C138 WeakPolarHBondContact O-CB 3.39Å; G134-C138 PolarHBondContact O-N 3.05Å
135I98.2Very high97.2Very high0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-69.7-38171.7-70.3-75.7000110.9M84 V85 V88 Y95 L129 W130 D132 C138 Y139M84-I135 HydrophobicContact CB-CD1 4.45Å; M84-I135 HydrophobicContact CE-CG2 4.27Å; M84-I135 HydrophobicContact SD-CG2 4.39Å; V85-I135 HydrophobicContact CG2-CD1 4.46Å; V88-I135 HydrophobicContact CG2-CD1 3.58Å; V88-I135 HydrophobicContact CG2-CG1 4.44Å; Y95-I135 HydrophobicContact CD1-CG1 4.4Å; Y95-I135 HydrophobicContact CE1-CD1 3.97Å; Y95-I135 HydrophobicContact CE1-CG1 3.94Å; L129-I135 HydrophobicContact CB-CG1 4.41Å; L129-I135 HydrophobicContact CD2-CD1 4.46Å; L129-I135 HydrophobicContact CD2-CG1 4.35Å; L129-I135 WeakPolarHBondContact O-CB 3.39Å; L129-I135 VanDerWaalsContact O-CG1 3.23Å; L129-I135 WeakPolarHBondContact O-CG1 3.48Å; L129-I135 WeakPolarHBondContact O-CG2 3.09Å; W130-I135 HydrophobicContact CE3-CG2 3.9Å; W130-I135 HydrophobicContact CZ3-CG2 4.34Å; D132-I135 HydrophobicContact CB-CB 4.17Å; D132-I135 HydrophobicContact CB-CG1 4.13Å; D132-I135 PolarHBondContact O-N 2.83Å; I135-C138 WeakPolarHBondContact O-CB 3.37Å; I135-C138 PolarHBondContact O-N 3.05Å; I135-Y139 PolarHBondContact O-N 2.83Å
136K98Very high97Very high67 Ų6744.3 Ų44.329%0.29121%0.212SC..Hα-helixtrans-62.1-46174.1-64.4-54.8-162.1-157.30111.8W130 D132 P133 C138 Y139 D140W130-K136 HydrophobicContact CE3-CD 4.39Å; W130-K136 HydrophobicContact CH2-CD 4.28Å; W130-K136 VanDerWaalsContact CZ2-NZ 3.28Å; W130-K136 HydrophobicContact CZ3-CD 4.2Å; W130-K136 VanDerWaalsContact NE1-NZ 3.2Å; W130-K136 WeakPolarHBondContact O-CD 3.22Å; W130-K136 WeakPolarHBondContact O-CE 3.47Å; W130-K136 PolarHBondContact O-NZ 2.97Å; D132-K136 PolarHBondContact O-N 2.99Å; P133-K136 PolarHBondContact O-N 2.9Å; K136-C138 VanDerWaalsContact C-N 3.28Å; K136-C138 PolarHBondContact O-N 3.29Å; K136-Y139 WeakPolarHBondContact O-CB 3.39Å; K136-Y139 PolarHBondContact O-N 3.18Å; K136-Y139 VanDerWaalsContact O-N 3.1Å; K136-D140 PolarHBondContact O-N 3.47Å
137E97.5Very high96.9Very high90 Ų9044.8 Ų44.842%0.42122%0.215SC..Hα-helixtrans-57.8-43.8173.8-173.6-167.9144.800110.9I93 P133 Y139 D140 R141I93-E137 HydrophobicContact CD1-CG 4.26Å; I93-E137 HydrophobicContact CG2-CB 4.46Å; P133-E137 PolarHBondContact O-N 2.74Å; E137-Y139 VanDerWaalsContact C-N 3.32Å; E137-Y139 PolarHBondContact O-N 3.44Å; E137-D140 PolarHBondContact O-N 2.79Å; E137-R141 WeakPolarHBondContact O-CG 3.2Å; E137-R141 PolarHBondContact O-N 2.88Å; E137-R141 VanDerWaalsContact O-N 3.14Å; E137-R141 IonicContact OE1-NH1 3.23Å
138C97.7Very high96.7Very high0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-60.7-40.7176.1-170.30000112.1A87 V88 I93 G134 I135 K136 R141 R142 Y145A87-C138 VanDerWaalsContact CB-SG 3.5Å; V88-C138 HydrophobicContact CG2-CB 3.7Å; I93-C138 HydrophobicContact CD1-CB 3.86Å; G134-C138 WeakPolarHBondContact O-CB 3.39Å; G134-C138 PolarHBondContact O-N 3.05Å; I135-C138 WeakPolarHBondContact O-CB 3.37Å; I135-C138 PolarHBondContact O-N 3.05Å; K136-C138 VanDerWaalsContact C-N 3.28Å; K136-C138 PolarHBondContact O-N 3.29Å; C138-R141 CarbonylContact O-C 3.59Å; C138-R141 PolarHBondContact O-N 3.16Å; C138-R142 PolarHBondContact O-N 3.05Å; C138-Y145 VanDerWaalsContact C-OH 3.31Å; C138-Y145 VanDerWaalsContact O-CE1 3.23Å; C138-Y145 WeakPolarHBondContact O-CE1 3.49Å; C138-Y145 PolarHBondContact O-OH 3.19Å
139Y97.7Very high96.5Very high17 Ų1744.1 Ų44.17%0.06721%0.213CC..Hα-helixtrans-65.3-37.7175174.8-93000112.8M84 W130 I135 K136 E137 R141 R142 L147 K152M84-Y139 HydrophobicContact SD-CD2 4.2Å; W130-Y139 HydrophobicContact CH2-CD1 4.2Å; W130-Y139 AromaticContact CH2-CD2 3.92Å; W130-Y139 HydrophobicContact CH2-CD2 3.92Å; W130-Y139 HydrophobicContact CH2-CE2 4.38Å; W130-Y139 AromaticContact CH2-CG 3.83Å; W130-Y139 HydrophobicContact CH2-CG 3.83Å; W130-Y139 HydrophobicContact CZ3-CD2 4.12Å; W130-Y139 HydrophobicContact CZ3-CG 4.02Å; I135-Y139 PolarHBondContact O-N 2.83Å; K136-Y139 WeakPolarHBondContact O-CB 3.39Å; K136-Y139 PolarHBondContact O-N 3.18Å; K136-Y139 VanDerWaalsContact O-N 3.1Å; E137-Y139 VanDerWaalsContact C-N 3.32Å; E137-Y139 PolarHBondContact O-N 3.44Å; Y139-R141 PolarHBondContact O-N 3.06Å; Y139-R142 VanDerWaalsContact CE1-NH1 3.3Å; Y139-R142 WeakPolarHBondContact O-CB 3.22Å; Y139-R142 VanDerWaalsContact O-CD 3.27Å; Y139-R142 WeakPolarHBondContact O-CD 3.42Å; Y139-R142 WeakPolarHBondContact O-CG 3.44Å; Y139-R142 PolarHBondContact O-N 2.76Å; Y139-R142 VanDerWaalsContact O-N 3.08Å; Y139-R142 PolarHBondContact O-NH1 3.47Å; Y139-R142 VanDerWaalsContact O-NH1 3.16Å; Y139-L147 HydrophobicContact CD2-CD2 3.68Å; Y139-L147 HydrophobicContact CE2-CD2 3.99Å; Y139-K152 HydrophobicContact CE1-CD 4.15Å; Y139-K152 HydrophobicContact CE2-CB 3.86Å; Y139-K152 WeakPolarHBondContact OH-CB 3.22Å
140D95.9Very high96.4Very high102 Ų10244.6 Ų44.655%0.54522%0.216SC..Hα-helixtrans-67-22.9176.3-67.8-21.4000112.1K136 E137K136-D140 PolarHBondContact O-N 3.47Å; E137-D140 PolarHBondContact O-N 2.79Å
141R95.5Very high96.4Very high69 Ų6944.1 Ų44.126%0.2621%0.214SC..THydrogen-bonded Turntrans-94.113.2174-65.4177.467.3-175.1-1.7113.9L91 E137 C138 Y139 R143 E144L91-R141 HydrophobicContact CD1-CB 4.05Å; E137-R141 WeakPolarHBondContact O-CG 3.2Å; E137-R141 PolarHBondContact O-N 2.88Å; E137-R141 VanDerWaalsContact O-N 3.14Å; E137-R141 IonicContact OE1-NH1 3.23Å; C138-R141 CarbonylContact O-C 3.59Å; C138-R141 PolarHBondContact O-N 3.16Å; Y139-R141 PolarHBondContact O-N 3.06Å; R141-R143 PolarHBondContact O-N 3.49Å; R141-E144 WeakPolarHBondContact CB-OE1 3.49Å; R141-E144 WeakPolarHBondContact CG-OE1 3.37Å; R141-E144 IonicContact CZ-OE1 3.33Å; R141-E144 IonicContact CZ-OE2 3Å; R141-E144 IonicContact NE-OE1 3.49Å; R141-E144 PolarHBondContact NE-OE1 3.16Å; R141-E144 IonicContact NE-OE2 2.96Å; R141-E144 PolarHBondContact NE-OE2 3.32Å; R141-E144 IonicContact NH2-OE1 2.75Å; R141-E144 PolarHBondContact NH2-OE1 3.21Å; R141-E144 IonicContact NH2-OE2 3.84Å; R141-E144 PolarHBondContact NH2-OE2 2.89Å; R141-E144 WeakPolarHBondContact O-CB 3.31Å; R141-E144 PolarHBondContact O-N 3.41Å
142R95.7Very high96.4Very high31 Ų3142.7 Ų42.712%0.11720%0.203CC..THydrogen-bonded Turntrans-59-2.8-179.970.9-170.9179.7-82.85116.7C138 Y139 E144 Y145 L147 E275C138-R142 PolarHBondContact O-N 3.05Å; Y139-R142 VanDerWaalsContact CE1-NH1 3.3Å; Y139-R142 WeakPolarHBondContact O-CB 3.22Å; Y139-R142 VanDerWaalsContact O-CD 3.27Å; Y139-R142 WeakPolarHBondContact O-CD 3.42Å; Y139-R142 WeakPolarHBondContact O-CG 3.44Å; Y139-R142 PolarHBondContact O-N 2.76Å; Y139-R142 VanDerWaalsContact O-N 3.08Å; Y139-R142 PolarHBondContact O-NH1 3.47Å; Y139-R142 VanDerWaalsContact O-NH1 3.16Å; R142-E144 VanDerWaalsContact C-N 3.32Å; R142-Y145 HydrophobicContact CB-CE1 4.34Å; R142-L147 HydrophobicContact CB-CB 4.17Å; R142-L147 HydrophobicContact CB-CD2 3.93Å; R142-E275 IonicContact CZ-OE1 3.4Å; R142-E275 IonicContact NH1-OE1 2.89Å; R142-E275 IonicContact NH2-OE1 3.46Å; R142-E275 PolarHBondContact NH2-OE1 3.48Å
143R93.3Very high96.4Very high82 Ų8244.7 Ų44.731%0.30921%0.211SC..THydrogen-bonded Turntrans-77.8-20.5168.266.9-178.1179.3-80.7-4.3112.6R141R141-R143 PolarHBondContact O-N 3.49Å
144E93.7Very high96.4Very high89 Ų8941.6 Ų41.642%0.41619%0.19SC..THydrogen-bonded Turntrans-85.4-7-178.1-61175.4-128.200113L91 R141 R142L91-E144 HydrophobicContact CD2-CB 4.33Å; L91-E144 WeakPolarHBondContact CD2-OE2 3.11Å; R141-E144 WeakPolarHBondContact CB-OE1 3.49Å; R141-E144 WeakPolarHBondContact CG-OE1 3.37Å; R141-E144 IonicContact CZ-OE1 3.33Å; R141-E144 IonicContact CZ-OE2 3Å; R141-E144 IonicContact NE-OE1 3.49Å; R141-E144 PolarHBondContact NE-OE1 3.16Å; R141-E144 IonicContact NE-OE2 2.96Å; R141-E144 PolarHBondContact NE-OE2 3.32Å; R141-E144 IonicContact NH2-OE1 2.75Å; R141-E144 PolarHBondContact NH2-OE1 3.21Å; R141-E144 IonicContact NH2-OE2 3.84Å; R141-E144 PolarHBondContact NH2-OE2 2.89Å; R141-E144 WeakPolarHBondContact O-CB 3.31Å; R141-E144 PolarHBondContact O-N 3.41Å; R142-E144 VanDerWaalsContact C-N 3.32Å
145Y95.1Very high96.4Very high30 Ų3041.7 Ų41.712%0.11819%0.19CC..THydrogen-bonded Turntrans-152.4170.5178.663.1-85.3000111.2T83 M84 A87 L91 C138 R142 L147T83-Y145 HydrophobicContact CG2-CD2 3.68Å; T83-Y145 HydrophobicContact CG2-CE2 3.9Å; M84-Y145 HydrophobicContact CG-CE2 4.31Å; A87-Y145 HydrophobicContact CB-CD1 3.62Å; A87-Y145 HydrophobicContact CB-CD2 3.73Å; A87-Y145 HydrophobicContact CB-CE1 3.66Å; A87-Y145 HydrophobicContact CB-CE2 3.76Å; A87-Y145 HydrophobicContact CB-CG 3.66Å; L91-Y145 HydrophobicContact CD1-CD1 4.2Å; L91-Y145 HydrophobicContact CD1-CE1 4.16Å; C138-Y145 VanDerWaalsContact C-OH 3.31Å; C138-Y145 VanDerWaalsContact O-CE1 3.23Å; C138-Y145 WeakPolarHBondContact O-CE1 3.49Å; C138-Y145 PolarHBondContact O-OH 3.19Å; R142-Y145 HydrophobicContact CB-CE1 4.34Å; Y145-L147 HydrophobicContact CD2-CB 4.2Å; Y145-L147 HydrophobicContact CE2-CB 3.74Å; Y145-L147 HydrophobicContact CE2-CD1 4.44Å; Y145-L147 HydrophobicContact CE2-CD2 4.27Å; Y145-L147 HydrophobicContact CE2-CG 4.37Å; Y145-L147 PolarHBondContact O-N 3.2Å
146Q94.1Very high96.4Very high63 Ų6345.4 Ų45.429%0.29421%0.209SC..THydrogen-bonded Turntrans-88.890.1-171.9-59.8-63.6-27.600112T83 V232 V234T83-Q146 VanDerWaalsContact CG2-O 3.25Å; T83-Q146 WeakPolarHBondContact CG2-O 3.49Å; Q146-V232 PolarHBondContact NE2-O 3.45Å; Q146-V234 HydrophobicContact CB-CG2 4.36Å; Q146-V234 HydrophobicContact CG-CB 4.48Å; Q146-V234 HydrophobicContact CG-CG2 3.83Å; Q146-V234 VanDerWaalsContact OE1-CG2 3.28Å
147L96.2Very high96.5Very high11 Ų1144.5 Ų44.56%0.05821%0.208CC..  trans-111.7135.5174.2-170.964.9000111.4A80 T83 M84 Y139 R142 Y145 A151A80-L147 HydrophobicContact CB-CD1 4.22Å; T83-L147 HydrophobicContact CG2-CD1 4.13Å; M84-L147 HydrophobicContact CG-CD1 3.92Å; M84-L147 HydrophobicContact CG-CD2 4.02Å; M84-L147 HydrophobicContact SD-CD2 4Å; Y139-L147 HydrophobicContact CD2-CD2 3.68Å; Y139-L147 HydrophobicContact CE2-CD2 3.99Å; R142-L147 HydrophobicContact CB-CB 4.17Å; R142-L147 HydrophobicContact CB-CD2 3.93Å; Y145-L147 HydrophobicContact CD2-CB 4.2Å; Y145-L147 HydrophobicContact CE2-CB 3.74Å; Y145-L147 HydrophobicContact CE2-CD1 4.44Å; Y145-L147 HydrophobicContact CE2-CD2 4.27Å; Y145-L147 HydrophobicContact CE2-CG 4.37Å; Y145-L147 PolarHBondContact O-N 3.2Å; L147-A151 HydrophobicContact CD1-CB 3.88Å; L147-A151 HydrophobicContact CD2-CB 3.95Å; L147-A151 HydrophobicContact CG-CB 3.84Å
148T94.3Very high96.5Very high18 Ų1840.4 Ų40.411%0.1119%0.189CC..  trans-68.1138.117655.40000111.8M79 S150 A151 R177M79-T148 HydrophobicContact CE-CG2 3.57Å; T148-S150 PolarHBondContact O-N 3.14Å; T148-A151 VanDerWaalsContact O-CB 3.25Å; T148-A151 WeakPolarHBondContact O-CB 3.46Å; T148-A151 PolarHBondContact O-N 2.74Å; T148-R177 HydrophobicContact CG2-CB 4.48Å; T148-R177 HydrophobicContact CG2-CG 4.23Å
149D94.2Very high96.5Very high56 Ų5645 Ų4530%0.29921%0.213SC..THydrogen-bonded Turntrans-55-26.1177.6-62.1-36.7000114A151 K269 L272D149-A151 VanDerWaalsContact C-N 3.28Å; D149-A151 PolarHBondContact O-N 2.92Å; D149-K269 WeakPolarHBondContact OD2-CD 3.44Å; D149-K269 VanDerWaalsContact OD2-CE 3.25Å; D149-K269 WeakPolarHBondContact OD2-CE 3.39Å; D149-K269 IonicContact OD2-NZ 2.83Å; D149-K269 PolarHBondContact OD2-NZ 3.38Å; D149-L272 HydrophobicContact CB-CD1 3.64Å; D149-L272 VanDerWaalsContact CG-CD1 3.42Å
150S96.4Very high96.5Very high10 Ų1047.8 Ų47.87%0.0722%0.224CC..THydrogen-bonded Turntrans-77-8.2179.155.10000114.7T148 K152 Y153 Y154 R175T148-S150 PolarHBondContact O-N 3.14Å; S150-K152 PolarHBondContact O-N 3.41Å; S150-Y153 PolarHBondContact O-N 3.23Å; S150-Y154 VanDerWaalsContact O-CD2 3.31Å; S150-Y154 WeakPolarHBondContact O-CD2 3.17Å; S150-Y154 PolarHBondContact O-N 3.43Å; S150-Y154 VanDerWaalsContact O-N 3.11Å; S150-R175 VanDerWaalsContact CB-O 3.31Å; S150-R175 WeakPolarHBondContact CB-O 3.5Å; S150-R175 PolarHBondContact OG-O 2.94Å
151A98.1Very high96.6Very high2 Ų243 Ų432%0.01720%0.198CC..Hα-helixtrans-54.8-56.2-173.500000111.9A80 L147 T148 D149 Y153 Y154 L155A80-A151 HydrophobicContact CB-CB 3.76Å; L147-A151 HydrophobicContact CD1-CB 3.88Å; L147-A151 HydrophobicContact CD2-CB 3.95Å; L147-A151 HydrophobicContact CG-CB 3.84Å; T148-A151 VanDerWaalsContact O-CB 3.25Å; T148-A151 WeakPolarHBondContact O-CB 3.46Å; T148-A151 PolarHBondContact O-N 2.74Å; D149-A151 VanDerWaalsContact C-N 3.28Å; D149-A151 PolarHBondContact O-N 2.92Å; A151-Y153 VanDerWaalsContact C-N 3.34Å; A151-Y153 PolarHBondContact O-N 3.3Å; A151-Y154 PolarHBondContact O-N 3.2Å; A151-L155 WeakPolarHBondContact O-CB 3.45Å; A151-L155 VanDerWaalsContact O-CG 3.22Å; A151-L155 WeakPolarHBondContact O-CG 3.44Å; A151-L155 PolarHBondContact O-N 2.92Å
152K97.7Very high96.7Very high85 Ų8541 Ų4137%0.3720%0.195SC..Hα-helixtrans-56.8-46.6179.1178.2178.1-170.8-53.50112.2W130 Y139 S150 Y154 L155 D156W130-K152 HydrophobicContact CZ2-CB 4.43Å; W130-K152 HydrophobicContact CZ2-CG 4.11Å; Y139-K152 HydrophobicContact CE1-CD 4.15Å; Y139-K152 HydrophobicContact CE2-CB 3.86Å; Y139-K152 WeakPolarHBondContact OH-CB 3.22Å; S150-K152 PolarHBondContact O-N 3.41Å; K152-Y154 VanDerWaalsContact C-N 3.34Å; K152-Y154 PolarHBondContact O-N 2.76Å; K152-L155 PolarHBondContact O-N 3.45Å; K152-D156 WeakPolarHBondContact CG-OD2 3.37Å; K152-D156 IonicContact NZ-OD2 2.78Å; K152-D156 PolarHBondContact NZ-OD2 2.88Å; K152-D156 VanDerWaalsContact O-CB 3.3Å; K152-D156 WeakPolarHBondContact O-CB 3.27Å; K152-D156 PolarHBondContact O-N 3.37Å
153Y98.4Very high96.8Very high46 Ų4644.2 Ų44.218%0.1821%0.211CC..Hα-helixtrans-56.2-48.3-179.7169.7-95.1000112S150 A151 N157 R160 Q171 D172 R175S150-Y153 PolarHBondContact O-N 3.23Å; A151-Y153 VanDerWaalsContact C-N 3.34Å; A151-Y153 PolarHBondContact O-N 3.3Å; Y153-N157 WeakPolarHBondContact O-CB 3.49Å; Y153-N157 PolarHBondContact O-N 3.24Å; Y153-N157 PolarHBondContact O-ND2 2.83Å; Y153-R160 PolarHBondContact OH-NH2 2.99Å; Y153-Q171 WeakPolarHBondContact OH-CB 3.44Å; Y153-D172 VanDerWaalsContact CE1-OD1 3.3Å; Y153-D172 WeakPolarHBondContact CE1-OD1 3.19Å; Y153-D172 PolarHBondContact OH-OD1 2.83Å; Y153-D172 VanDerWaalsContact OH-OD1 3.12Å; Y153-R175 HydrophobicContact CD1-CB 4.3Å; Y153-R175 HydrophobicContact CD1-CG 4.36Å
154Y98.6Very high96.8Very high1 Ų145.9 Ų45.90%0.00424%0.242CC..Hα-helixtrans-71.9-40-177.8-71.2-53.4000112.8V73 N76 I77 S150 A151 K152 N157 L158 I161 D172 R175 V176V73-Y154 HydrophobicContact CG1-CD1 3.98Å; V73-Y154 HydrophobicContact CG1-CE1 3.72Å; V73-Y154 HydrophobicContact CG2-CE1 4.22Å; N76-Y154 HydrophobicContact CB-CD2 4.45Å; N76-Y154 HydrophobicContact CB-CE2 4.17Å; I77-Y154 HydrophobicContact CG1-CG 4.13Å; S150-Y154 VanDerWaalsContact O-CD2 3.31Å; S150-Y154 WeakPolarHBondContact O-CD2 3.17Å; S150-Y154 PolarHBondContact O-N 3.43Å; S150-Y154 VanDerWaalsContact O-N 3.11Å; A151-Y154 PolarHBondContact O-N 3.2Å; K152-Y154 VanDerWaalsContact C-N 3.34Å; K152-Y154 PolarHBondContact O-N 2.76Å; Y154-N157 CarbonylContact O-C 3.55Å; Y154-N157 PolarHBondContact O-N 2.87Å; Y154-N157 VanDerWaalsContact O-N 3.12Å; Y154-L158 PolarHBondContact O-N 2.82Å; Y154-I161 HydrophobicContact CD1-CD1 3.68Å; Y154-I161 HydrophobicContact CE1-CD1 4.5Å; Y154-D172 HydrophobicContact CE1-CB 4.23Å; Y154-D172 PolarHBondContact OH-O 2.93Å; Y154-R175 HydrophobicContact CE2-CB 4.39Å; Y154-V176 WeakPolarHBondContact OH-CA 3.47Å; Y154-V176 VanDerWaalsContact OH-CB 3.31Å; Y154-V176 WeakPolarHBondContact OH-CB 3.37Å; Y154-V176 PolarHBondContact OH-N 2.9Å
155L98.6Very high97Very high7 Ų748.1 Ų48.14%0.03726%0.257CS..Hα-helixtrans-66.3-38.7179.2-65.4170000111.6I77 M81 M84 I126 W130 A151 K152 N157 L158I77-L155 HydrophobicContact CG2-CD2 4.29Å; M81-L155 HydrophobicContact CE-CD1 4.32Å; M81-L155 HydrophobicContact CE-CD2 3.97Å; M84-L155 HydrophobicContact CE-CD1 3.37Å; I126-L155 HydrophobicContact CG2-CD2 3.58Å; W130-L155 HydrophobicContact CD2-CB 3.74Å; W130-L155 HydrophobicContact CD2-CD1 3.8Å; W130-L155 HydrophobicContact CD2-CG 4.35Å; W130-L155 HydrophobicContact CE3-CB 4.46Å; W130-L155 HydrophobicContact CE3-CD1 3.66Å; W130-L155 HydrophobicContact CG-CB 3.79Å; W130-L155 HydrophobicContact CG-CD1 4.37Å; W130-L155 HydrophobicContact CH2-CD1 4.45Å; W130-L155 HydrophobicContact CZ2-CB 4.33Å; W130-L155 HydrophobicContact CZ3-CD1 4.01Å; A151-L155 WeakPolarHBondContact O-CB 3.45Å; A151-L155 VanDerWaalsContact O-CG 3.22Å; A151-L155 WeakPolarHBondContact O-CG 3.44Å; A151-L155 PolarHBondContact O-N 2.92Å; K152-L155 PolarHBondContact O-N 3.45Å; L155-N157 PolarHBondContact O-N 2.64Å; L155-L158 VanDerWaalsContact O-CB 3.32Å; L155-L158 WeakPolarHBondContact O-CB 3.46Å; L155-L158 PolarHBondContact O-N 2.74Å
156D98.4Very high97.1Very high77 Ų7747.2 Ų47.241%0.41225%0.253SS..Hα-helixtrans-67.9-22.3173.2-68.4-12.8000112.8W130 K152W130-D156 PolarHBondContact NE1-OD1 3.28Å; K152-D156 WeakPolarHBondContact CG-OD2 3.37Å; K152-D156 IonicContact NZ-OD2 2.78Å; K152-D156 PolarHBondContact NZ-OD2 2.88Å; K152-D156 VanDerWaalsContact O-CB 3.3Å; K152-D156 WeakPolarHBondContact O-CB 3.27Å; K152-D156 PolarHBondContact O-N 3.37Å
157N98.5Very high97.3Very high49 Ų4945.9 Ų45.926%0.26225%0.248SC..THydrogen-bonded Turntrans-103.812.2179.7-78.9-95.9000113.2Y153 Y154 L155 D159 R160 I161Y153-N157 WeakPolarHBondContact O-CB 3.49Å; Y153-N157 PolarHBondContact O-N 3.24Å; Y153-N157 PolarHBondContact O-ND2 2.83Å; Y154-N157 CarbonylContact O-C 3.55Å; Y154-N157 PolarHBondContact O-N 2.87Å; Y154-N157 VanDerWaalsContact O-N 3.12Å; L155-N157 PolarHBondContact O-N 2.64Å; N157-D159 PolarHBondContact O-N 3.17Å; N157-R160 PolarHBondContact O-N 3.33Å; N157-R160 PolarHBondContact OD1-NE 3.3Å; N157-R160 PolarHBondContact OD1-NH2 3.25Å; N157-I161 HydrophobicContact CB-CD1 3.79Å; N157-I161 HydrophobicContact CB-CG1 4.36Å; N157-I161 WeakPolarHBondContact O-CG1 3.41Å; N157-I161 PolarHBondContact O-N 2.78Å
158L98.3Very high97.4Very high3 Ų345.4 Ų45.42%0.01625%0.246CC..Hα-helixtrans-59.4-34.6-172-175.758.2000112.7I77 M118 V123 I126 K127 Y154 L155 R160 I161 S162I77-L158 HydrophobicContact CD1-CD1 4.32Å; I77-L158 HydrophobicContact CG2-CD1 4.3Å; M118-L158 HydrophobicContact CE-CD1 3.6Å; V123-L158 HydrophobicContact CG1-CG 4.37Å; I126-L158 HydrophobicContact CB-CD2 3.92Å; I126-L158 HydrophobicContact CG2-CD2 3.51Å; K127-L158 HydrophobicContact CG-CD2 3.61Å; K127-L158 HydrophobicContact CG-CG 4.39Å; Y154-L158 PolarHBondContact O-N 2.82Å; L155-L158 VanDerWaalsContact O-CB 3.32Å; L155-L158 WeakPolarHBondContact O-CB 3.46Å; L155-L158 PolarHBondContact O-N 2.74Å; L158-R160 PolarHBondContact O-N 3.04Å; L158-I161 PolarHBondContact O-N 2.88Å; L158-S162 VanDerWaalsContact O-CB 3.26Å; L158-S162 WeakPolarHBondContact O-CB 3.37Å; L158-S162 PolarHBondContact O-N 2.81Å; L158-S162 PolarHBondContact O-OG 2.93Å
159D97.7Very high97.6Very high96 Ų9646.7 Ų46.751%0.51325%0.254SS..Hα-helixtrans-56.5-46.2174-87.4-60.4000113.4K127 N157 S162 Q163K127-D159 WeakPolarHBondContact CE-OD1 3.29Å; K127-D159 IonicContact NZ-OD1 3.56Å; K127-D159 PolarHBondContact NZ-OD1 2.89Å; K127-D159 IonicContact NZ-OD2 3.54Å; K127-D159 PolarHBondContact NZ-OD2 3Å; N157-D159 PolarHBondContact O-N 3.17Å; D159-S162 PolarHBondContact O-OG 3.35Å; D159-Q163 WeakPolarHBondContact O-CG 3.31Å; D159-Q163 PolarHBondContact O-NE2 3.49Å
160R98.1Very high97.8Very high77 Ų7747.5 Ų47.529%0.29126%0.258SS..Hα-helixtrans-70.6-40.2178.3177.9-178.460.979.7-0.9111.3Y153 N157 L158 D172Y153-R160 PolarHBondContact OH-NH2 2.99Å; N157-R160 PolarHBondContact O-N 3.33Å; N157-R160 PolarHBondContact OD1-NE 3.3Å; N157-R160 PolarHBondContact OD1-NH2 3.25Å; L158-R160 PolarHBondContact O-N 3.04Å; R160-D172 IonicContact CZ-OD1 3.72Å; R160-D172 IonicContact CZ-OD2 2.54Å; R160-D172 IonicContact NH1-OD1 3.3Å; R160-D172 IonicContact NH1-OD2 3.56Å; R160-D172 PolarHBondContact NH1-OD2 3.14Å; R160-D172 IonicContact NH2-OD1 3.94Å; R160-D172 PolarHBondContact NH2-OD1 3.12Å; R160-D172 IonicContact NH2-OD2 2.67Å; R160-D172 PolarHBondContact NH2-OD2 3.34Å
161I98.4Very high97.9Very high0 Ų050 Ų500%027%0.268CS..Hα-helixtrans-75.3-27.7-173.3-65.7165.9000112.1V73 Y74 I77 Y154 N157 L158 Y166V73-I161 HydrophobicContact CG1-CD1 4.42Å; V73-I161 HydrophobicContact CG1-CG2 3.93Å; Y74-I161 HydrophobicContact CD1-CG2 4.02Å; Y74-I161 HydrophobicContact CE1-CG2 3.67Å; Y74-I161 PolarHBondContact OH-O 3.44Å; I77-I161 HydrophobicContact CD1-CB 4.47Å; I77-I161 HydrophobicContact CD1-CD1 4.18Å; I77-I161 HydrophobicContact CD1-CG2 3.68Å; Y154-I161 HydrophobicContact CD1-CD1 3.68Å; Y154-I161 HydrophobicContact CE1-CD1 4.5Å; N157-I161 HydrophobicContact CB-CD1 3.79Å; N157-I161 HydrophobicContact CB-CG1 4.36Å; N157-I161 WeakPolarHBondContact O-CG1 3.41Å; N157-I161 PolarHBondContact O-N 2.78Å; L158-I161 PolarHBondContact O-N 2.88Å; I161-Y166 HydrophobicContact CB-CD2 4.5Å; I161-Y166 HydrophobicContact CB-CE2 4.3Å; I161-Y166 HydrophobicContact CG1-CD2 4.48Å; I161-Y166 HydrophobicContact CG1-CE2 3.9Å; I161-Y166 HydrophobicContact CG2-CD1 4.22Å; I161-Y166 HydrophobicContact CG2-CE1 3.88Å; I161-Y166 HydrophobicContact CG2-CE2 4.41Å; I161-Y166 WeakPolarHBondContact O-CB 3.4Å; I161-Y166 WeakPolarHBondContact O-CD1 3.2Å
162S97.3Very high97.9Very high29 Ų2949.9 Ų49.920%0.20327%0.267CS..THydrogen-bonded Turntrans-85.2-2.2179.656.80000114.6L158 D159L158-S162 VanDerWaalsContact O-CB 3.26Å; L158-S162 WeakPolarHBondContact O-CB 3.37Å; L158-S162 PolarHBondContact O-N 2.81Å; L158-S162 PolarHBondContact O-OG 2.93Å; D159-S162 PolarHBondContact O-OG 3.35Å
163Q97.1Very high97.9Very high98 Ų9845.9 Ų45.946%0.45825%0.25SC..SBendtrans-67.5147.7175.2-60.7-53.9-53.400111.7D159 D165 Y166D159-Q163 WeakPolarHBondContact O-CG 3.31Å; D159-Q163 PolarHBondContact O-NE2 3.49Å; Q163-D165 WeakPolarHBondContact CB-OD1 3.11Å; Q163-D165 PolarHBondContact O-N 3.12Å; Q163-Y166 WeakPolarHBondContact O-CB 3.46Å; Q163-Y166 PolarHBondContact O-N 3.44Å; Q163-Y166 VanDerWaalsContact O-N 3.1Å
164A94.7Very high97.9Very high116 Ų11643.7 Ų43.796%0.95924%0.242SC*.THydrogen-bonded Turntrans-65-26.5-177.400000113.6
165D96Very high97.9Very high136 Ų13646.6 Ų46.673%0.72725%0.252SS*.THydrogen-bonded Turntrans-97.314.4177.666.4-26.8000113Q163 L167Q163-D165 WeakPolarHBondContact CB-OD1 3.11Å; Q163-D165 PolarHBondContact O-N 3.12Å; D165-L167 PolarHBondContact O-N 3.47Å
166Y98.1Very high97.8Very high11 Ų1146.5 Ų46.54%0.04325%0.252CS..  trans-53123.5-179.8171.8-119.7000112.1I70 V73 Y74 I161 Q163 P168 D172I70-Y166 WeakPolarHBondContact CD1-O 3.46Å; I70-Y166 HydrophobicContact CG1-CD1 4.27Å; I70-Y166 HydrophobicContact CG1-CE1 4.33Å; I70-Y166 HydrophobicContact CG2-CD1 4.3Å; V73-Y166 HydrophobicContact CG1-CE1 4.37Å; Y74-Y166 AromaticContact CE1-CD1 3.87Å; Y74-Y166 HydrophobicContact CE1-CD1 3.87Å; Y74-Y166 HydrophobicContact CE1-CE1 4.03Å; I161-Y166 HydrophobicContact CB-CD2 4.5Å; I161-Y166 HydrophobicContact CB-CE2 4.3Å; I161-Y166 HydrophobicContact CG1-CD2 4.48Å; I161-Y166 HydrophobicContact CG1-CE2 3.9Å; I161-Y166 HydrophobicContact CG2-CD1 4.22Å; I161-Y166 HydrophobicContact CG2-CE1 3.88Å; I161-Y166 HydrophobicContact CG2-CE2 4.41Å; I161-Y166 WeakPolarHBondContact O-CB 3.4Å; I161-Y166 WeakPolarHBondContact O-CD1 3.2Å; Q163-Y166 WeakPolarHBondContact O-CB 3.46Å; Q163-Y166 PolarHBondContact O-N 3.44Å; Q163-Y166 VanDerWaalsContact O-N 3.1Å; Y166-P168 HydrophobicContact CE1-CG 3.82Å; Y166-P168 WeakPolarHBondContact OH-CA 3.24Å; Y166-D172 VanDerWaalsContact OH-CG 3.27Å; Y166-D172 PolarHBondContact OH-OD2 2.99Å; Y166-D172 VanDerWaalsContact OH-OD2 3.06Å
167L98.3Very high97.7Very high36 Ų3645.6 Ų45.619%0.18824%0.243CC..  trans-124.6120.3171.2-17566.6000108.8D63 R66 R67 D165 T169D63-L167 HydrophobicContact CB-CD2 4.35Å; R66-L167 HydrophobicContact CB-CD1 3.88Å; R66-L167 HydrophobicContact CB-CG 4.33Å; R67-L167 HydrophobicContact CG-CD1 3.67Å; D165-L167 PolarHBondContact O-N 3.47Å; L167-T169 PolarHBondContact O-N 3.47Å
168P98.6Very high97.5Very high0 Ų046.9 Ų46.90%025%0.252CS..  trans-55129.3-176.3-30.437.8000112.2R66 F69 I70 Y166 D172 I173R66-P168 PolarHBondContact NE-O 3.46Å; R66-P168 PolarHBondContact NH2-O 3.04Å; R66-P168 WeakPolarHBondContact O-CD 3.4Å; R66-P168 VanDerWaalsContact O-CG 3.28Å; R66-P168 WeakPolarHBondContact O-CG 3.42Å; F69-P168 HydrophobicContact CB-CB 4.33Å; F69-P168 HydrophobicContact CB-CG 4.15Å; I70-P168 VanDerWaalsContact CG1-CD 3.45Å; I70-P168 HydrophobicContact CG1-CG 3.67Å; Y166-P168 HydrophobicContact CE1-CG 3.82Å; Y166-P168 WeakPolarHBondContact OH-CA 3.24Å; P168-D172 HydrophobicContact CB-CB 4.05Å; P168-I173 HydrophobicContact CB-CG1 4.25Å
169T98.3Very high97.3Very high46 Ų4649.8 Ų49.828%0.28227%0.271SS..  trans-73.1166.717265.10000110.1L167 Q171 D172 I173L167-T169 PolarHBondContact O-N 3.47Å; T169-Q171 PolarHBondContact O-N 3.14Å; T169-Q171 PolarHBondContact OG1-N 3.36Å; T169-D172 PolarHBondContact N-OD2 2.94Å; T169-D172 WeakPolarHBondContact O-CB 3.44Å; T169-D172 PolarHBondContact O-N 3.43Å; T169-D172 VanDerWaalsContact O-N 3.14Å; T169-D172 VanDerWaalsContact OG1-CG 3.22Å; T169-D172 PolarHBondContact OG1-N 3.49Å; T169-D172 VanDerWaalsContact OG1-N 3.13Å; T169-D172 PolarHBondContact OG1-OD2 3.47Å; T169-I173 WeakPolarHBondContact O-CG1 3.24Å; T169-I173 PolarHBondContact O-N 3.2Å
170L97.9Very high97.2Very high73 Ų7346.7 Ų46.738%0.38226%0.256SS..Hα-helixtrans-58.2-33.1171.1-63.6-178.4000111.7I55 Y61 I173 L174I55-L170 HydrophobicContact CD1-CB 4.32Å; I55-L170 HydrophobicContact CD1-CD1 4.43Å; I55-L170 HydrophobicContact CD1-CD2 4.19Å; I55-L170 HydrophobicContact CG1-CD1 4.5Å; I55-L170 HydrophobicContact CG1-CD2 4.25Å; I55-L170 HydrophobicContact CG2-CD1 4.15Å; Y61-L170 HydrophobicContact CD2-CD2 3.88Å; L170-I173 PolarHBondContact O-N 3.39Å; L170-L174 WeakPolarHBondContact O-CB 3.44Å; L170-L174 WeakPolarHBondContact O-CG 3.35Å; L170-L174 PolarHBondContact O-N 3.12Å
171Q98.1Very high96.9Very high62 Ų6247.8 Ų47.829%0.2927%0.271SS..Hα-helixtrans-71.7-31.8177.7-69.8-60.8-15.500113.2Y153 T169 R175 T326Y153-Q171 WeakPolarHBondContact OH-CB 3.44Å; T169-Q171 PolarHBondContact O-N 3.14Å; T169-Q171 PolarHBondContact OG1-N 3.36Å; Q171-R175 WeakPolarHBondContact O-CB 3.34Å; Q171-R175 WeakPolarHBondContact O-CG 3.22Å; Q171-R175 PolarHBondContact O-N 3.37Å; Q171-R175 PolarHBondContact O-NH1 3.26Å; Q171-T326 PolarHBondContact NE2-O 3.06Å; Q171-T326 VanDerWaalsContact NE2-O 3.11Å; Q171-T326 PolarHBondContact OE1-O 3.29Å
172D98.5Very high96.6Very high0 Ų048.7 Ų48.70%028%0.281CS..Hα-helixtrans-64.2-48.1168.7-59.6-45.3000109.6V73 Y153 Y154 R160 Y166 P168 T169 L174 R175 V176V73-D172 HydrophobicContact CG2-CB 4.36Å; Y153-D172 VanDerWaalsContact CE1-OD1 3.3Å; Y153-D172 WeakPolarHBondContact CE1-OD1 3.19Å; Y153-D172 PolarHBondContact OH-OD1 2.83Å; Y153-D172 VanDerWaalsContact OH-OD1 3.12Å; Y154-D172 HydrophobicContact CE1-CB 4.23Å; Y154-D172 PolarHBondContact OH-O 2.93Å; R160-D172 IonicContact CZ-OD1 3.72Å; R160-D172 IonicContact CZ-OD2 2.54Å; R160-D172 IonicContact NH1-OD1 3.3Å; R160-D172 IonicContact NH1-OD2 3.56Å; R160-D172 PolarHBondContact NH1-OD2 3.14Å; R160-D172 IonicContact NH2-OD1 3.94Å; R160-D172 PolarHBondContact NH2-OD1 3.12Å; R160-D172 IonicContact NH2-OD2 2.67Å; R160-D172 PolarHBondContact NH2-OD2 3.34Å; Y166-D172 VanDerWaalsContact OH-CG 3.27Å; Y166-D172 PolarHBondContact OH-OD2 2.99Å; Y166-D172 VanDerWaalsContact OH-OD2 3.06Å; P168-D172 HydrophobicContact CB-CB 4.05Å; T169-D172 PolarHBondContact N-OD2 2.94Å; T169-D172 WeakPolarHBondContact O-CB 3.44Å; T169-D172 PolarHBondContact O-N 3.43Å; T169-D172 VanDerWaalsContact O-N 3.14Å; T169-D172 VanDerWaalsContact OG1-CG 3.22Å; T169-D172 PolarHBondContact OG1-N 3.49Å; T169-D172 VanDerWaalsContact OG1-N 3.13Å; T169-D172 PolarHBondContact OG1-OD2 3.47Å; D172-L174 VanDerWaalsContact C-N 3.33Å; D172-L174 PolarHBondContact O-N 2.89Å; D172-R175 PolarHBondContact O-N 2.94Å; D172-R175 VanDerWaalsContact O-N 3.12Å; D172-V176 PolarHBondContact O-N 3.36Å
173I98.4Very high96.4Very high0 Ų050.1 Ų50.10%029%0.285CS..Hα-helixtrans-62-39.3180-67170.1000112K51 Y61 R66 F69 P168 T169 L170 R175 V176K51-I173 HydrophobicContact CD-CG2 4.27Å; K51-I173 WeakPolarHBondContact CD-O 3.41Å; K51-I173 WeakPolarHBondContact CE-O 3.49Å; K51-I173 PolarHBondContact NZ-O 3.46Å; Y61-I173 HydrophobicContact CD1-CD1 4.42Å; Y61-I173 HydrophobicContact CD2-CD1 4.27Å; Y61-I173 HydrophobicContact CD2-CG2 4.31Å; Y61-I173 HydrophobicContact CE1-CG2 4.17Å; Y61-I173 HydrophobicContact CE2-CG2 3.91Å; Y61-I173 HydrophobicContact CG-CD1 4.03Å; R66-I173 HydrophobicContact CB-CD1 4.33Å; R66-I173 HydrophobicContact CG-CD1 3.73Å; F69-I173 HydrophobicContact CB-CG1 4.32Å; F69-I173 HydrophobicContact CD2-CD1 3.9Å; F69-I173 HydrophobicContact CD2-CG1 3.78Å; F69-I173 HydrophobicContact CD2-CG2 4.45Å; F69-I173 HydrophobicContact CE1-CG2 4.31Å; F69-I173 HydrophobicContact CE2-CD1 4.2Å; F69-I173 HydrophobicContact CE2-CG1 4.2Å; F69-I173 HydrophobicContact CE2-CG2 4.06Å; F69-I173 HydrophobicContact CG-CG1 3.97Å; F69-I173 HydrophobicContact CZ-CG2 3.98Å; P168-I173 HydrophobicContact CB-CG1 4.25Å; T169-I173 WeakPolarHBondContact O-CG1 3.24Å; T169-I173 PolarHBondContact O-N 3.2Å; L170-I173 PolarHBondContact O-N 3.39Å; I173-R175 VanDerWaalsContact C-N 3.31Å; I173-R175 PolarHBondContact O-N 3.06Å; I173-V176 WeakPolarHBondContact O-CG1 2.94Å
174L98.1Very high96.3Very high1 Ų148.1 Ų48.11%0.00528%0.28CS..Hα-helixtrans-67.1-32.4177.5-73169.3000112.4T48 K51 Q52 I55 L170 D172T48-L174 HydrophobicContact CG2-CB 4.35Å; T48-L174 HydrophobicContact CG2-CD2 3.96Å; T48-L174 WeakPolarHBondContact CG2-O 3.31Å; T48-L174 PolarHBondContact OG1-O 2.89Å; K51-L174 HydrophobicContact CB-CD2 3.9Å; Q52-L174 HydrophobicContact CG-CD2 3.65Å; I55-L174 HydrophobicContact CD1-CD1 4.21Å; I55-L174 HydrophobicContact CD1-CD2 4Å; I55-L174 HydrophobicContact CD1-CG 4.12Å; L170-L174 WeakPolarHBondContact O-CB 3.44Å; L170-L174 WeakPolarHBondContact O-CG 3.35Å; L170-L174 PolarHBondContact O-N 3.12Å; D172-L174 VanDerWaalsContact C-N 3.33Å; D172-L174 PolarHBondContact O-N 2.89Å
175R98Very high96.4Very high61 Ų6146.9 Ų46.923%0.2325%0.254CS..Hα-helixtrans-91.1-17.2-178.1-76.5179.2176.468.36.2114.5S150 Y153 Y154 Q171 D172 I173 R177 T326S150-R175 VanDerWaalsContact CB-O 3.31Å; S150-R175 WeakPolarHBondContact CB-O 3.5Å; S150-R175 PolarHBondContact OG-O 2.94Å; Y153-R175 HydrophobicContact CD1-CB 4.3Å; Y153-R175 HydrophobicContact CD1-CG 4.36Å; Y154-R175 HydrophobicContact CE2-CB 4.39Å; Q171-R175 WeakPolarHBondContact O-CB 3.34Å; Q171-R175 WeakPolarHBondContact O-CG 3.22Å; Q171-R175 PolarHBondContact O-N 3.37Å; Q171-R175 PolarHBondContact O-NH1 3.26Å; D172-R175 PolarHBondContact O-N 2.94Å; D172-R175 VanDerWaalsContact O-N 3.12Å; I173-R175 VanDerWaalsContact C-N 3.31Å; I173-R175 PolarHBondContact O-N 3.06Å; R175-R177 PolarHBondContact O-N 3.46Å; R175-T326 HydrophobicContact CG-CG2 4.14Å; R175-T326 PolarHBondContact NH2-OG1 3.23Å
176V97.5Very high96.4Very high5 Ų543.7 Ų43.73%0.0323%0.233CC..  trans-65.9130.7-179.179.50000110.9K51 F69 I72 V73 Y154 D172 I173K51-V176 PolarHBondContact NZ-O 3.03Å; F69-V176 HydrophobicContact CD1-CG1 3.71Å; F69-V176 HydrophobicContact CE1-CG1 3.94Å; I72-V176 HydrophobicContact CB-CG2 3.87Å; I72-V176 HydrophobicContact CG2-CG2 3.33Å; V73-V176 HydrophobicContact CG2-CB 4.48Å; V73-V176 HydrophobicContact CG2-CG2 4.17Å; Y154-V176 WeakPolarHBondContact OH-CA 3.47Å; Y154-V176 VanDerWaalsContact OH-CB 3.31Å; Y154-V176 WeakPolarHBondContact OH-CB 3.37Å; Y154-V176 PolarHBondContact OH-N 2.9Å; D172-V176 PolarHBondContact O-N 3.36Å; I173-V176 WeakPolarHBondContact O-CG1 2.94Å
177R95.5Very high96.2Very high59 Ų5948.1 Ų48.122%0.22326%0.256CS..  trans-96.9121.8-179.8177.771.6-166.9-164.8-2.2109.7E43 N76 T148 R175E43-R177 VanDerWaalsContact CG-NH2 3.32Å; E43-R177 IonicContact OE1-CZ 2.71Å; E43-R177 IonicContact OE1-NE 3.13Å; E43-R177 PolarHBondContact OE1-NE 3.37Å; E43-R177 IonicContact OE1-NH1 2.7Å; E43-R177 PolarHBondContact OE1-NH1 3.39Å; E43-R177 IonicContact OE1-NH2 3.84Å; E43-R177 PolarHBondContact OE1-NH2 2.86Å; N76-R177 PolarHBondContact ND2-O 3.09Å; N76-R177 VanDerWaalsContact OD1-CB 3.24Å; N76-R177 WeakPolarHBondContact OD1-CB 3.25Å; N76-R177 PolarHBondContact OD1-N 2.83Å; T148-R177 HydrophobicContact CG2-CB 4.48Å; T148-R177 HydrophobicContact CG2-CG 4.23Å; R175-R177 PolarHBondContact O-N 3.46Å
178V94.7Very high96Very high76 Ų7647 Ų4746%0.46125%0.25SC..  trans-132.5124.4164.2-176.70000106.7I72 T180I72-V178 HydrophobicContact CD1-CG2 4.17Å; I72-V178 HydrophobicContact CG2-CG2 3.51Å; V178-T180 PolarHBondContact O-N 2.87Å; V178-T180 VanDerWaalsContact O-N 3.16Å
179P94.3Very high95.6Very high64 Ų6452.6 Ų52.642%0.41628%0.28SS..  trans-58.3118.4171.1-23.634.5000110.5T181P179-T181 PolarHBondContact O-N 2.76Å
180T94.4Very high95.1Very high30 Ų3051 Ų5118%0.18427%0.27CS..  trans-69.2122.8175.4-49.80000109.4S47 V178 G201S47-T180 PolarHBondContact OG-OG1 3.35Å; V178-T180 PolarHBondContact O-N 2.87Å; V178-T180 VanDerWaalsContact O-N 3.16Å; T180-G201 WeakPolarHBondContact O-CA 3.42Å
181T92.9Very high94.3Very high100 Ų10053.5 Ų53.561%0.61328%0.284SS*.  trans-110.6139174.9590000109.6P179 E206P179-T181 PolarHBondContact O-N 2.76Å; T181-E206 WeakPolarHBondContact CA-OE2 3.24Å
182G91.8Very high93.5Very high20 Ų2054.6 Ų54.621%0.20630%0.298CS..SBendtrans72-149.8-179.800000114.2G201 E206G182-G201 PolarHBondContact O-N 2.85Å; G182-E206 PolarHBondContact N-OE2 2.82Å
183I94.1Very high93Very high58 Ų5856.5 Ų56.530%0.29731%0.308SS..EExtended strand (participates in β ladder)trans-125.8126-176.4-54.2177.9000107V198 V200 K209 H212 C213I183-V198 HydrophobicContact CG2-CG1 3.53Å; I183-V200 HydrophobicContact CB-CG1 4.38Å; I183-V200 HydrophobicContact CG1-CG1 4.01Å; I183-V200 HydrophobicContact CG2-CG1 4.1Å; I183-K209 WeakPolarHBondContact CD1-O 3.41Å; I183-H212 HydrophobicContact CD1-CB 3.8Å; I183-C213 HydrophobicContact CD1-CB 4.3Å; I183-C213 HydrophobicContact CG2-CB 4.42Å
184V95Very high92.7Very high56 Ų5659.4 Ų59.434%0.33932%0.323SS..EExtended strand (participates in β ladder)trans-125.3129.7178.2-171.40000108.8Y186 D199V184-Y186 HydrophobicContact CB-CE2 3.89Å; V184-Y186 HydrophobicContact CG1-CD2 4.3Å; V184-Y186 HydrophobicContact CG1-CE1 4.32Å; V184-Y186 HydrophobicContact CG1-CE2 3.5Å; V184-D199 PolarHBondContact N-O 2.97Å; V184-D199 PolarHBondContact O-N 2.85Å
185E96.1Very high92.5Very high91 Ų9159.4 Ų59.443%0.42532%0.323SS..EExtended strand (participates in β ladder)trans-106.7138.3179.6-58.9-169.4177.900111R196 M197 V198E185-R196 WeakPolarHBondContact OE2-CD 3.42Å; E185-R196 IonicContact OE2-CZ 3.02Å; E185-R196 IonicContact OE2-NE 2.85Å; E185-R196 IonicContact OE2-NH1 3.9Å; E185-R196 PolarHBondContact OE2-NH1 3.12Å; E185-M197 CarbonylContact C-O 3.54Å; E185-M197 WeakPolarHBondContact CA-O 3.27Å; E185-V198 HydrophobicContact CG-CG1 4.49Å; E185-V198 HydrophobicContact CG-CG2 4.22Å
186Y95.7Very high92.3Very high68 Ų6859.1 Ų59.127%0.26732%0.322SS..EExtended strand (participates in β ladder)trans-125.1134.1178.2-59.3-94.1000109.1I50 V184 R196 M197 D199I50-Y186 HydrophobicContact CD1-CD2 4.45Å; I50-Y186 HydrophobicContact CG1-CD2 4.48Å; I50-Y186 HydrophobicContact CG2-CD1 3.87Å; I50-Y186 HydrophobicContact CG2-CD2 3.61Å; I50-Y186 HydrophobicContact CG2-CE1 3.9Å; I50-Y186 HydrophobicContact CG2-CE2 3.65Å; I50-Y186 HydrophobicContact CG2-CG 3.71Å; V184-Y186 HydrophobicContact CB-CE2 3.89Å; V184-Y186 HydrophobicContact CG1-CD2 4.3Å; V184-Y186 HydrophobicContact CG1-CE1 4.32Å; V184-Y186 HydrophobicContact CG1-CE2 3.5Å; Y186-R196 CarbonylContact O-C 3.57Å; Y186-R196 WeakPolarHBondContact O-CA 3.35Å; Y186-M197 PolarHBondContact N-O 2.85Å; Y186-M197 PolarHBondContact O-N 3.11Å; Y186-D199 HydrophobicContact CE2-CB 4.13Å
187L94.5Very high92.3Very high104 Ų10458.9 Ų58.955%0.54532%0.32SS..EExtended strand (participates in β ladder)trans-107125.3177.8-61.6178000109.6I194 R196L187-I194 HydrophobicContact CD2-CG2 4.08Å; L187-R196 HydrophobicContact CD2-CB 3.82Å; L187-R196 HydrophobicContact CD2-CG 3.93Å
188F93.6Very high92.4Very high12 Ų1256.1 Ų56.15%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-121.5119.5174.8-57.9-79.6000109.5I50 M53 R54 I194 F195 M197I50-F188 HydrophobicContact CG2-CZ 4.46Å; M53-F188 HydrophobicContact CB-CD1 4.36Å; M53-F188 HydrophobicContact CB-CD2 4.44Å; M53-F188 HydrophobicContact CB-CE1 3.78Å; M53-F188 HydrophobicContact CB-CE2 3.86Å; M53-F188 HydrophobicContact CB-CZ 3.49Å; M53-F188 VanDerWaalsContact CB-CZ 3.49Å; R54-F188 HydrophobicContact CG-CE1 3.94Å; R54-F188 HydrophobicContact CG-CZ 4.07Å; F188-I194 WeakPolarHBondContact O-CA 3.36Å; F188-F195 HydrophobicContact CB-CB 4.37Å; F188-F195 PolarHBondContact N-O 2.88Å; F188-F195 PolarHBondContact O-N 3.49Å; F188-M197 HydrophobicContact CD2-CB 4.46Å; F188-M197 HydrophobicContact CD2-CG 4.01Å; F188-M197 HydrophobicContact CD2-SD 3.85Å; F188-M197 HydrophobicContact CE2-CB 4.12Å; F188-M197 HydrophobicContact CE2-CG 4Å; F188-M197 HydrophobicContact CE2-SD 3.58Å; F188-M197 VanDerWaalsContact CE2-SD 3.58Å
189D89.9Confident92.5Very high119 Ų11952.6 Ų52.664%0.63629%0.288SS*.EExtended strand (participates in β ladder)trans-88.2110.6174.6-171.3-9.8000109.5
190L89.1Confident92.6Very high12 Ų1249.5 Ų49.56%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-123.8109.9-178.6-62.3-173.9000110.2M53 H57 S192 I193 F195 F335 K339M53-L190 HydrophobicContact CE-CD1 4.46Å; H57-L190 HydrophobicContact CB-CD2 3.67Å; H57-L190 VanDerWaalsContact ND1-CD2 3.32Å; H57-L190 WeakPolarHBondContact ND1-CD2 3.42Å; L190-S192 VanDerWaalsContact C-N 3.25Å; L190-S192 PolarHBondContact O-N 3.23Å; L190-S192 VanDerWaalsContact O-N 3.16Å; L190-I193 PolarHBondContact N-O 3.02Å; L190-I193 WeakPolarHBondContact O-CB 3.41Å; L190-I193 PolarHBondContact O-N 3.35Å; L190-F195 HydrophobicContact CB-CD2 3.94Å; L190-F195 HydrophobicContact CB-CE2 3.96Å; L190-F195 HydrophobicContact CD1-CD2 3.57Å; L190-F195 HydrophobicContact CD1-CE2 3.8Å; L190-F195 HydrophobicContact CD1-CG 4.45Å; L190-F195 HydrophobicContact CG-CD2 3.93Å; L190-F195 HydrophobicContact CG-CE2 4.31Å; L190-F335 HydrophobicContact CD1-CE1 3.47Å; L190-F335 VanDerWaalsContact CD1-CE1 3.47Å; L190-F335 HydrophobicContact CD1-CZ 3.97Å; L190-K339 HydrophobicContact CD1-CD 4.42Å
191D81.1Confident92.6Very high126 Ų12648.1 Ų48.167%0.67426%0.26SS*.THydrogen-bonded Turntrans52.539.5171.4-53.1-44.5000113.7K339D191-K339 IonicContact OD2-NZ 3.6Å; D191-K339 PolarHBondContact OD2-NZ 2.96Å
192S79.8Confident92.6Very high85 Ų8543.6 Ų43.659%0.59423%0.233SC*.THydrogen-bonded Turntrans78.410.6-175.5-39.50000116.2L190L190-S192 VanDerWaalsContact C-N 3.25Å; L190-S192 PolarHBondContact O-N 3.23Å; L190-S192 VanDerWaalsContact O-N 3.16Å
193I88.4Confident92.7Very high40 Ų4045.4 Ų45.421%0.20524%0.236CC..EExtended strand (participates in β ladder)trans-119.2128.5177.2-57.5-177000108.4R32 L34 L190 F195 L343R32-I193 WeakPolarHBondContact O-CA 3.34Å; R32-I193 WeakPolarHBondContact O-CG2 3.12Å; L34-I193 HydrophobicContact CD1-CG2 3.6Å; L34-I193 HydrophobicContact CG-CG2 3.87Å; L190-I193 PolarHBondContact N-O 3.02Å; L190-I193 WeakPolarHBondContact O-CB 3.41Å; L190-I193 PolarHBondContact O-N 3.35Å; I193-F195 HydrophobicContact CB-CE2 4.22Å; I193-F195 HydrophobicContact CG2-CD2 4.26Å; I193-F195 HydrophobicContact CG2-CE2 3.8Å; I193-F195 HydrophobicContact CG2-CZ 4.11Å; I193-L343 HydrophobicContact CD1-CD1 3.92Å; I193-L343 HydrophobicContact CD1-CD2 3.2Å; I193-L343 HydrophobicContact CD1-CG 4.19Å; I193-L343 HydrophobicContact CG2-CD2 4.35Å
194I91.2Very high92.7Very high60 Ų6046.7 Ų46.731%0.30824%0.237SC..EExtended strand (participates in β ladder)trans-94.9113.7-178.7-59.4173.7000107.8R32 E33 L34 L187 F188R32-I194 PolarHBondContact O-N 2.79Å; E33-I194 CarbonylContact C-O 3.57Å; E33-I194 VanDerWaalsContact CA-O 3.3Å; E33-I194 WeakPolarHBondContact CA-O 3.24Å; E33-I194 HydrophobicContact CB-CB 4.48Å; E33-I194 HydrophobicContact CG-CB 4.25Å; E33-I194 HydrophobicContact CG-CG2 4.16Å; L34-I194 PolarHBondContact N-O 2.68Å; L187-I194 HydrophobicContact CD2-CG2 4.08Å; F188-I194 WeakPolarHBondContact O-CA 3.36Å
195F93.9Very high92.5Very high1 Ų147.9 Ų47.90%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-89.6109.8170.8-72.5-86.4000109.4L34 L36 F188 L190 I193 M197 K339 I342L34-F195 HydrophobicContact CB-CD1 4.13Å; L34-F195 HydrophobicContact CB-CE1 4.2Å; L34-F195 HydrophobicContact CD1-CD1 4.46Å; L34-F195 HydrophobicContact CD1-CE1 3.75Å; L34-F195 HydrophobicContact CD1-CZ 3.92Å; L36-F195 HydrophobicContact CD1-CB 4.4Å; L36-F195 HydrophobicContact CD1-CD1 3.44Å; L36-F195 VanDerWaalsContact CD1-CD1 3.44Å; L36-F195 HydrophobicContact CD1-CE1 4.14Å; L36-F195 HydrophobicContact CD1-CG 4.32Å; L36-F195 HydrophobicContact CD2-CD1 4.31Å; L36-F195 HydrophobicContact CG-CD1 3.94Å; F188-F195 HydrophobicContact CB-CB 4.37Å; F188-F195 PolarHBondContact N-O 2.88Å; F188-F195 PolarHBondContact O-N 3.49Å; L190-F195 HydrophobicContact CB-CD2 3.94Å; L190-F195 HydrophobicContact CB-CE2 3.96Å; L190-F195 HydrophobicContact CD1-CD2 3.57Å; L190-F195 HydrophobicContact CD1-CE2 3.8Å; L190-F195 HydrophobicContact CD1-CG 4.45Å; L190-F195 HydrophobicContact CG-CD2 3.93Å; L190-F195 HydrophobicContact CG-CE2 4.31Å; I193-F195 HydrophobicContact CB-CE2 4.22Å; I193-F195 HydrophobicContact CG2-CD2 4.26Å; I193-F195 HydrophobicContact CG2-CE2 3.8Å; I193-F195 HydrophobicContact CG2-CZ 4.11Å; F195-M197 PolarHBondContact O-N 3.14Å; F195-K339 HydrophobicContact CE2-CD 4.39Å; F195-K339 HydrophobicContact CE2-CG 4.16Å; F195-K339 HydrophobicContact CZ-CG 3.79Å; F195-I342 HydrophobicContact CE1-CD1 4.49Å
196R95.6Very high92.5Very high56 Ų5644.4 Ų44.421%0.21123%0.232CC..EExtended strand (participates in β ladder)trans-88.3100.2169.3-179.2-175.5-59.7-80.7-10.2108.8E33 L34 K35 L36 E185 Y186 L187 V198E33-R196 VanDerWaalsContact CD-NH2 3.27Å; E33-R196 HydrophobicContact CG-CB 4.32Å; E33-R196 IonicContact OE1-CZ 2.87Å; E33-R196 VanDerWaalsContact OE1-CZ 3.27Å; E33-R196 IonicContact OE1-NE 3.84Å; E33-R196 PolarHBondContact OE1-NE 2.89Å; E33-R196 IonicContact OE1-NH2 3.46Å; E33-R196 PolarHBondContact OE1-NH2 3.43Å; E33-R196 IonicContact OE2-CZ 2.88Å; E33-R196 IonicContact OE2-NE 3.6Å; E33-R196 IonicContact OE2-NH2 2.82Å; E33-R196 PolarHBondContact OE2-NH2 2.97Å; L34-R196 PolarHBondContact O-N 2.97Å; K35-R196 CarbonylContact C-O 3.57Å; K35-R196 WeakPolarHBondContact CA-O 3.41Å; L36-R196 PolarHBondContact N-O 3.47Å; E185-R196 WeakPolarHBondContact OE2-CD 3.42Å; E185-R196 IonicContact OE2-CZ 3.02Å; E185-R196 IonicContact OE2-NE 2.85Å; E185-R196 IonicContact OE2-NH1 3.9Å; E185-R196 PolarHBondContact OE2-NH1 3.12Å; Y186-R196 CarbonylContact O-C 3.57Å; Y186-R196 WeakPolarHBondContact O-CA 3.35Å; L187-R196 HydrophobicContact CD2-CB 3.82Å; L187-R196 HydrophobicContact CD2-CG 3.93Å; R196-V198 HydrophobicContact CG-CG2 4.44Å
197M96.6Very high92.4Very high0 Ų043.6 Ų43.60%023%0.228CC..EExtended strand (participates in β ladder)trans-90.7125.4175.4-66.2-171.8169.700110.8L36 L38 F49 I50 M53 E185 Y186 F188 F195 F335L36-M197 HydrophobicContact CB-CG 4.2Å; L36-M197 HydrophobicContact CD1-CE 3.62Å; L36-M197 HydrophobicContact CD1-CG 4.09Å; L36-M197 CarbonylContact O-C 3.47Å; L36-M197 WeakPolarHBondContact O-CA 3.44Å; L38-M197 HydrophobicContact CD1-CB 4.04Å; L38-M197 HydrophobicContact CD1-CG 4.38Å; F49-M197 HydrophobicContact CE1-CE 4.16Å; I50-M197 HydrophobicContact CD1-CB 3.58Å; I50-M197 HydrophobicContact CD1-CG 4.21Å; I50-M197 HydrophobicContact CD1-SD 3.59Å; I50-M197 VanDerWaalsContact CD1-SD 3.59Å; M53-M197 HydrophobicContact CB-SD 4.23Å; M53-M197 HydrophobicContact CE-CE 3.66Å; M53-M197 HydrophobicContact CE-SD 4.46Å; M53-M197 HydrophobicContact CG-CE 3.76Å; M53-M197 HydrophobicContact CG-SD 3.69Å; M53-M197 HydrophobicContact SD-CE 3.94Å; E185-M197 CarbonylContact C-O 3.54Å; E185-M197 WeakPolarHBondContact CA-O 3.27Å; Y186-M197 PolarHBondContact N-O 2.85Å; Y186-M197 PolarHBondContact O-N 3.11Å; F188-M197 HydrophobicContact CD2-CB 4.46Å; F188-M197 HydrophobicContact CD2-CG 4.01Å; F188-M197 HydrophobicContact CD2-SD 3.85Å; F188-M197 HydrophobicContact CE2-CB 4.12Å; F188-M197 HydrophobicContact CE2-CG 4Å; F188-M197 HydrophobicContact CE2-SD 3.58Å; F188-M197 VanDerWaalsContact CE2-SD 3.58Å; F195-M197 PolarHBondContact O-N 3.14Å; M197-F335 HydrophobicContact CE-CD2 4.25Å; M197-F335 HydrophobicContact CE-CE2 3.35Å; M197-F335 HydrophobicContact CE-CZ 3.75Å
198V97.6Very high92.3Very high0 Ų049.3 Ų49.30%024%0.243CC..EExtended strand (participates in β ladder)trans-106.4112.1179.7-1740000108.6K35 L36 L37 L38 I183 E185 R196 V200 C213K35-V198 HydrophobicContact CG-CG2 4.16Å; L36-V198 PolarHBondContact O-N 3.44Å; L37-V198 HydrophobicContact CD1-CB 3.82Å; L37-V198 HydrophobicContact CD1-CG1 3.81Å; L38-V198 PolarHBondContact N-O 2.99Å; I183-V198 HydrophobicContact CG2-CG1 3.53Å; E185-V198 HydrophobicContact CG-CG1 4.49Å; E185-V198 HydrophobicContact CG-CG2 4.22Å; R196-V198 HydrophobicContact CG-CG2 4.44Å; V198-V200 HydrophobicContact CG1-CG1 4.15Å; V198-C213 HydrophobicContact CG1-CB 3.91Å
199D97.1Very high92.3Very high2 Ų252.3 Ų52.31%0.01126%0.256CS..EExtended strand (participates in β ladder)trans-98.4134.2173.8-168.123.2000110.1K46 S47 I50 V184 Y186K46-D199 WeakPolarHBondContact CB-OD1 3.41Å; S47-D199 WeakPolarHBondContact CA-OD2 3.5Å; S47-D199 WeakPolarHBondContact CB-OD2 3.41Å; S47-D199 PolarHBondContact OG-OD2 3.19Å; I50-D199 HydrophobicContact CG1-CB 4.16Å; V184-D199 PolarHBondContact N-O 2.97Å; V184-D199 PolarHBondContact O-N 2.85Å; Y186-D199 HydrophobicContact CE2-CB 4.13Å
200V96.6Very high92.5Very high0 Ų047.1 Ų47.10%023%0.227CC..EExtended strand (participates in β ladder)trans-132.9150.7-177.1-61.40000111.3L37 L38 L39 K46 I183 V198 G202 W210L37-V200 HydrophobicContact CD1-CG1 4.44Å; L38-V200 WeakPolarHBondContact O-CG2 3.34Å; L39-V200 HydrophobicContact CD2-CG2 3.79Å; K46-V200 WeakPolarHBondContact CE-O 3.48Å; I183-V200 HydrophobicContact CB-CG1 4.38Å; I183-V200 HydrophobicContact CG1-CG1 4.01Å; I183-V200 HydrophobicContact CG2-CG1 4.1Å; V198-V200 HydrophobicContact CG1-CG1 4.15Å; V200-G202 PolarHBondContact O-N 3.2Å; V200-W210 HydrophobicContact CG2-CD2 4.27Å; V200-W210 HydrophobicContact CG2-CG 4.23Å; V200-W210 HydrophobicContact CG2-CZ2 4.22Å; V200-W210 VanDerWaalsContact CG2-NE1 3.3Å
201G94.9Very high92.6Very high1 Ų151.2 Ų51.21%0.0125%0.249CC..  trans-58.2125.1173.600000112.4T180 G182 E206 W210T180-G201 WeakPolarHBondContact O-CA 3.42Å; G182-G201 PolarHBondContact O-N 2.85Å; G201-E206 WeakPolarHBondContact O-CB 3.46Å; G201-W210 PolarHBondContact O-NE1 2.88Å
202G92.3Very high93.1Very high5 Ų552.5 Ų52.55%0.05225%0.25CS..  trans-83.8-17.7-178.400000115.6G40 G42 V200 R207G40-G202 WeakPolarHBondContact O-CA 3.38Å; G42-G202 PolarHBondContact N-O 3.18Å; V200-G202 PolarHBondContact O-N 3.2Å; G202-R207 PolarHBondContact O-NE 3.46Å
203Q93.3Very high93.8Very high58 Ų5848.6 Ų48.627%0.27122%0.223SC..SBendtrans-66.1151.1-179.1-69.8170-28.500110.9S205 E206 R207Q203-S205 PolarHBondContact O-N 3.22Å; Q203-E206 PolarHBondContact O-N 3.41Å; Q203-R207 WeakPolarHBondContact O-CG 3.36Å; Q203-R207 PolarHBondContact O-N 3.22Å
204R93.5Very high94Very high84 Ų8447.2 Ų47.232%0.31722%0.215SC..THydrogen-bonded Turntrans-55.3-37.8-176.2-76.8-178.1165.3-178.7-6.1113E206 R207 E235 E239 E244R204-E206 VanDerWaalsContact C-N 3.26Å; R204-E206 PolarHBondContact O-N 2.94Å; R204-R207 PolarHBondContact O-N 3.49Å; R204-E235 PolarHBondContact N-OE1 2.91Å; R204-E239 IonicContact CZ-OE1 3.62Å; R204-E239 IonicContact CZ-OE2 2.77Å; R204-E239 IonicContact NH1-OE1 3.43Å; R204-E239 PolarHBondContact NH1-OE1 3.03Å; R204-E239 IonicContact NH1-OE2 3.11Å; R204-E239 IonicContact NH2-OE1 3.88Å; R204-E239 IonicContact NH2-OE2 3.61Å; R204-E239 PolarHBondContact NH2-OE2 2.97Å; R204-E244 IonicContact CZ-OE1 3.59Å; R204-E244 IonicContact CZ-OE2 3.44Å; R204-E244 IonicContact NE-OE1 2.78Å; R204-E244 PolarHBondContact NE-OE1 3.44Å; R204-E244 IonicContact NE-OE2 2.72Å; R204-E244 IonicContact NH2-OE1 3.57Å; R204-E244 PolarHBondContact NH2-OE1 3.02Å; R204-E244 IonicContact NH2-OE2 3.64Å; R204-E244 PolarHBondContact NH2-OE2 3.47Å
205S92.6Very high94Very high81 Ų8151.2 Ų51.257%0.56623%0.233SC*.THydrogen-bonded Turntrans-61-30.2177500000113.9Q203Q203-S205 PolarHBondContact O-N 3.22Å
206E94.4Very high93.8Very high19 Ų1956 Ų569%0.08927%0.266CS..THydrogen-bonded Turntrans-90.5-21-174.4-64.1-60.7106.200113T181 G182 G201 Q203 R204 R208 K209T181-E206 WeakPolarHBondContact CA-OE2 3.24Å; G182-E206 PolarHBondContact N-OE2 2.82Å; G201-E206 WeakPolarHBondContact O-CB 3.46Å; Q203-E206 PolarHBondContact O-N 3.41Å; R204-E206 VanDerWaalsContact C-N 3.26Å; R204-E206 PolarHBondContact O-N 2.94Å; E206-R208 PolarHBondContact O-N 3.3Å; E206-R208 VanDerWaalsContact O-N 3.14Å; E206-K209 WeakPolarHBondContact O-CB 3.44Å; E206-K209 PolarHBondContact O-N 3.5Å; E206-K209 IonicContact OE1-NZ 3.27Å; E206-K209 PolarHBondContact OE1-NZ 3.16Å; E206-K209 IonicContact OE2-NZ 3.81Å; E206-K209 PolarHBondContact OE2-NZ 3.41Å
207R94.2Very high93.7Very high50 Ų5053.9 Ų53.919%0.18926%0.259CS..G310 helixtrans-62-26.9-172.9-56.4-165.5-168.8152.97.1114.7G202 Q203 R204 K209 W210 E244G202-R207 PolarHBondContact O-NE 3.46Å; Q203-R207 WeakPolarHBondContact O-CG 3.36Å; Q203-R207 PolarHBondContact O-N 3.22Å; R204-R207 PolarHBondContact O-N 3.49Å; R207-K209 PolarHBondContact O-N 3.03Å; R207-W210 HydrophobicContact CB-CD2 4.16Å; R207-W210 HydrophobicContact CB-CE3 4.47Å; R207-W210 HydrophobicContact CB-CZ2 4.37Å; R207-W210 HydrophobicContact CG-CD2 4.39Å; R207-W210 HydrophobicContact CG-CH2 4.01Å; R207-W210 HydrophobicContact CG-CZ2 3.7Å; R207-W210 HydrophobicContact CG-CZ3 4.47Å; R207-W210 VanDerWaalsContact O-CB 3.29Å; R207-W210 WeakPolarHBondContact O-CB 3.19Å; R207-W210 VanDerWaalsContact O-CG 3.29Å; R207-W210 PolarHBondContact O-N 2.86Å; R207-W210 VanDerWaalsContact O-N 3.11Å; R207-E244 IonicContact CZ-OE1 3.66Å; R207-E244 IonicContact NH1-OE1 2.66Å; R207-E244 PolarHBondContact NH1-OE1 2.95Å; R207-E244 IonicContact NH2-OE1 2.79Å; R207-E244 PolarHBondContact NH2-OE1 2.94Å
208R92.6Very high93.6Very high224 Ų22455.2 Ų55.285%0.84527%0.267SS*.G310 helixtrans-60.4-27175.2-67.6-178.1-179.8177.20.7112.4E206 W210E206-R208 PolarHBondContact O-N 3.3Å; E206-R208 VanDerWaalsContact O-N 3.14Å; R208-W210 VanDerWaalsContact C-N 3.31Å
209K94.2Very high93.5Very high76 Ų7655.2 Ų55.233%0.3327%0.267SS..G310 helixtrans-76.9-18.8-179.7-57.2173.8-173.3166.30112.1I183 E206 R207 I211 H212I183-K209 WeakPolarHBondContact CD1-O 3.41Å; E206-K209 WeakPolarHBondContact O-CB 3.44Å; E206-K209 PolarHBondContact O-N 3.5Å; E206-K209 IonicContact OE1-NZ 3.27Å; E206-K209 PolarHBondContact OE1-NZ 3.16Å; E206-K209 IonicContact OE2-NZ 3.81Å; E206-K209 PolarHBondContact OE2-NZ 3.41Å; R207-K209 PolarHBondContact O-N 3.03Å; K209-I211 PolarHBondContact O-N 3.25Å; K209-H212 WeakPolarHBondContact O-CB 3.3Å; K209-H212 PolarHBondContact O-CD2 3.44Å; K209-H212 PolarHBondContact O-N 2.96Å; K209-H212 VanDerWaalsContact O-N 3.1Å
210W94.6Very high93.5Very high9 Ų955.1 Ų55.13%0.03427%0.267CS..G310 helixtrans-60.3-32.9-173.2-66.32.5000113.6L39 V200 G201 R207 R208 H212 C213 F214 L248 I252L39-W210 HydrophobicContact CD2-CD2 3.89Å; L39-W210 HydrophobicContact CD2-CE3 3.71Å; L39-W210 HydrophobicContact CD2-CG 4.49Å; L39-W210 HydrophobicContact CD2-CH2 4.2Å; L39-W210 HydrophobicContact CD2-CZ2 4.36Å; L39-W210 HydrophobicContact CD2-CZ3 3.87Å; V200-W210 HydrophobicContact CG2-CD2 4.27Å; V200-W210 HydrophobicContact CG2-CG 4.23Å; V200-W210 HydrophobicContact CG2-CZ2 4.22Å; V200-W210 VanDerWaalsContact CG2-NE1 3.3Å; G201-W210 PolarHBondContact O-NE1 2.88Å; R207-W210 HydrophobicContact CB-CD2 4.16Å; R207-W210 HydrophobicContact CB-CE3 4.47Å; R207-W210 HydrophobicContact CB-CZ2 4.37Å; R207-W210 HydrophobicContact CG-CD2 4.39Å; R207-W210 HydrophobicContact CG-CH2 4.01Å; R207-W210 HydrophobicContact CG-CZ2 3.7Å; R207-W210 HydrophobicContact CG-CZ3 4.47Å; R207-W210 VanDerWaalsContact O-CB 3.29Å; R207-W210 WeakPolarHBondContact O-CB 3.19Å; R207-W210 VanDerWaalsContact O-CG 3.29Å; R207-W210 PolarHBondContact O-N 2.86Å; R207-W210 VanDerWaalsContact O-N 3.11Å; R208-W210 VanDerWaalsContact C-N 3.31Å; W210-H212 PolarHBondContact O-N 2.79Å; W210-C213 PolarHBondContact O-N 3.3Å; W210-C213 PolarHBondContact O-SG 3.1Å; W210-F214 HydrophobicContact CB-CE1 3.68Å; W210-F214 HydrophobicContact CB-CZ 3.91Å; W210-F214 WeakPolarHBondContact O-CD1 3.36Å; W210-F214 VanDerWaalsContact O-CE1 3.25Å; W210-F214 WeakPolarHBondContact O-CE1 3.35Å; W210-L248 HydrophobicContact CH2-CD1 3.93Å; W210-L248 HydrophobicContact CH2-CD2 3.85Å; W210-L248 HydrophobicContact CH2-CG 4.34Å; W210-L248 HydrophobicContact CZ3-CD1 3.68Å; W210-L248 HydrophobicContact CZ3-CD2 4.37Å; W210-L248 HydrophobicContact CZ3-CG 4.38Å; W210-I252 HydrophobicContact CE3-CD1 4.16Å; W210-I252 HydrophobicContact CZ3-CD1 4Å; W210-I252 HydrophobicContact CZ3-CG1 4.46Å
211I90.7Very high93.5Very high99 Ų9955.1 Ų55.151%0.50827%0.267SS..G310 helixtrans-54.3-27.6178.1-166.7166.5000112.9K209 C213 F214K209-I211 PolarHBondContact O-N 3.25Å; I211-C213 PolarHBondContact O-N 3.27Å; I211-C213 VanDerWaalsContact O-N 3.16Å; I211-F214 PolarHBondContact O-N 3.19Å
212H91.1Very high93.7Very high153 Ų15355 Ų5571%0.70827%0.266SS*.G310 helixtrans-71.2-4.8179.5-59-60.4000114.3I183 K209 W210I183-H212 HydrophobicContact CD1-CB 3.8Å; K209-H212 WeakPolarHBondContact O-CB 3.3Å; K209-H212 PolarHBondContact O-CD2 3.44Å; K209-H212 PolarHBondContact O-N 2.96Å; K209-H212 VanDerWaalsContact O-N 3.1Å; W210-H212 PolarHBondContact O-N 2.79Å
213C93.5Very high94Very high3 Ų354.9 Ų54.92%0.0226%0.264CS..G310 helixtrans-125.210.2178.465.40000114.3K35 L37 I183 V198 W210 I211 V217K35-C213 VanDerWaalsContact CE-O 3.28Å; K35-C213 WeakPolarHBondContact CE-O 3.3Å; K35-C213 PolarHBondContact NZ-O 3.27Å; L37-C213 HydrophobicContact CD1-CB 4.45Å; L37-C213 WeakPolarHBondContact CD1-SG 3.24Å; I183-C213 HydrophobicContact CD1-CB 4.3Å; I183-C213 HydrophobicContact CG2-CB 4.42Å; V198-C213 HydrophobicContact CG1-CB 3.91Å; W210-C213 PolarHBondContact O-N 3.3Å; W210-C213 PolarHBondContact O-SG 3.1Å; I211-C213 PolarHBondContact O-N 3.27Å; I211-C213 VanDerWaalsContact O-N 3.16Å; C213-V217 WeakPolarHBondContact O-CG2 3.47Å
214F93.5Very high94.3Very high11 Ų1152.1 Ų52.15%0.04825%0.251CS..  trans-79.3-14.9-175.3-75.69.7000114.6L37 W210 I211 I252 Y255 W257 F258L37-F214 HydrophobicContact CD2-CD1 3.74Å; L37-F214 HydrophobicContact CD2-CE1 3.85Å; W210-F214 HydrophobicContact CB-CE1 3.68Å; W210-F214 HydrophobicContact CB-CZ 3.91Å; W210-F214 WeakPolarHBondContact O-CD1 3.36Å; W210-F214 VanDerWaalsContact O-CE1 3.25Å; W210-F214 WeakPolarHBondContact O-CE1 3.35Å; I211-F214 PolarHBondContact O-N 3.19Å; F214-I252 HydrophobicContact CZ-CD1 4.38Å; F214-Y255 AromaticContact CE2-CD2 3.97Å; F214-Y255 HydrophobicContact CE2-CD2 3.97Å; F214-Y255 HydrophobicContact CE2-CE2 4.12Å; F214-W257 HydrophobicContact CB-CB 4.14Å; F214-W257 HydrophobicContact CB-CD2 4.05Å; F214-W257 HydrophobicContact CB-CE3 4.18Å; F214-W257 HydrophobicContact CB-CG 4.04Å; F214-W257 HydrophobicContact CD2-CB 4.12Å; F214-W257 AromaticContact CD2-CD1 3.8Å; F214-W257 AromaticContact CD2-CG 3.89Å; F214-W257 HydrophobicContact CD2-CG 3.89Å; F214-W257 HydrophobicContact CG-CG 4.46Å; F214-F258 HydrophobicContact CB-CE1 4.25Å; F214-F258 HydrophobicContact CB-CZ 4.23Å; F214-F258 HydrophobicContact CD1-CE1 4.05Å; F214-F258 HydrophobicContact CD1-CE2 4.3Å; F214-F258 AromaticContact CD1-CZ 3.38Å; F214-F258 HydrophobicContact CD1-CZ 3.38Å; F214-F258 HydrophobicContact CD2-CE2 4.06Å; F214-F258 AromaticContact CD2-CZ 3.76Å; F214-F258 HydrophobicContact CD2-CZ 3.76Å; F214-F258 HydrophobicContact CE1-CE2 4.06Å; F214-F258 AromaticContact CE1-CZ 3.46Å; F214-F258 HydrophobicContact CE1-CZ 3.46Å; F214-F258 VanDerWaalsContact CE1-CZ 3.46Å; F214-F258 AromaticContact CE2-CE2 3.82Å; F214-F258 HydrophobicContact CE2-CE2 3.82Å; F214-F258 AromaticContact CE2-CZ 3.84Å; F214-F258 HydrophobicContact CE2-CZ 3.84Å; F214-F258 HydrophobicContact CG-CE1 4.03Å; F214-F258 HydrophobicContact CG-CE2 4.29Å; F214-F258 AromaticContact CG-CZ 3.52Å; F214-F258 HydrophobicContact CG-CZ 3.52Å; F214-F258 AromaticContact CZ-CE2 3.81Å; F214-F258 HydrophobicContact CZ-CE2 3.81Å; F214-F258 AromaticContact CZ-CZ 3.69Å; F214-F258 HydrophobicContact CZ-CZ 3.69Å
215E91Very high94.5Very high144 Ų14448.1 Ų48.167%0.67324%0.237SC*.THydrogen-bonded Turntrans-68.4138.3177.1-174174.3-163.700111.9K35 V217K35-E215 PolarHBondContact NZ-O 3.28Å; E215-V217 VanDerWaalsContact C-N 3.27Å; E215-V217 PolarHBondContact O-N 3.01Å
216S89.3Confident94.8Very high101 Ų10144.3 Ų44.371%0.70621%0.21SC*.THydrogen-bonded Turntrans51.639.3172.1-57.30000114.5K35 T218K35-S216 WeakPolarHBondContact CB-O 3.47Å; S216-T218 PolarHBondContact O-N 3.44Å
217V95.1Very high94.9Very high11 Ų1143.4 Ų43.47%0.06721%0.205CC..  trans-77.7117.2174.5174.10000109.5K35 L37 C213 E215 S219 I220 F258 S261K35-V217 HydrophobicContact CD-CG2 4.21Å; L37-V217 HydrophobicContact CB-CG1 3.75Å; L37-V217 HydrophobicContact CB-CG2 4.03Å; L37-V217 HydrophobicContact CD2-CG2 3.99Å; C213-V217 WeakPolarHBondContact O-CG2 3.47Å; E215-V217 VanDerWaalsContact C-N 3.27Å; E215-V217 PolarHBondContact O-N 3.01Å; V217-S219 WeakPolarHBondContact CG1-O 3.45Å; V217-I220 HydrophobicContact CG1-CG1 4.29Å; V217-F258 HydrophobicContact CB-CD1 4.26Å; V217-F258 HydrophobicContact CB-CE1 4.09Å; V217-F258 HydrophobicContact CG1-CD1 4.42Å; V217-F258 HydrophobicContact CG1-CE1 4.3Å; V217-F258 HydrophobicContact CG2-CE1 4Å; V217-S261 WeakPolarHBondContact O-CB 3.44Å; V217-S261 PolarHBondContact O-OG 3.47Å
218T93.6Very high95Very high28 Ų2841.1 Ų41.117%0.17220%0.197CC..SBendtrans-69.7-48.2175-52.10000110.9L34 K35 S216 S261 S262 I342 N346L34-T218 HydrophobicContact CB-CG2 4.32Å; L34-T218 HydrophobicContact CD2-CG2 3.99Å; K35-T218 PolarHBondContact N-OG1 3.06Å; K35-T218 WeakPolarHBondContact O-CB 3.35Å; K35-T218 PolarHBondContact O-N 3.28Å; S216-T218 PolarHBondContact O-N 3.44Å; T218-S261 WeakPolarHBondContact O-CA 3.41Å; T218-S262 PolarHBondContact O-N 3.31Å; T218-I342 HydrophobicContact CG2-CG2 4.13Å; T218-N346 WeakPolarHBondContact CG2-ND2 3.4Å; T218-N346 WeakPolarHBondContact CG2-OD1 3.45Å
219S95.4Very high95.2Very high0 Ų030.4 Ų30.40%016%0.157CC..EExtended strand (participates in β ladder)trans-145138.5-176.4-51.10000111.5K35 L36 L37 V217 S262K35-S219 PolarHBondContact O-N 3.41Å; L36-S219 WeakPolarHBondContact CA-O 3.43Å; L37-S219 PolarHBondContact N-O 2.78Å; V217-S219 WeakPolarHBondContact CG1-O 3.45Å; S219-S262 CarbonylContact C-O 3.6Å; S219-S262 WeakPolarHBondContact CA-O 3.32Å; S219-S262 WeakPolarHBondContact CB-OG 3.19Å; S219-S262 PolarHBondContact OG-OG 2.93Å
220I97.1Very high95.3Very high0 Ų027.1 Ų27.10%014%0.143CC..EExtended strand (participates in β ladder)trans-89.4130168-61.6159.2000108.6L39 V217 F222 I252 F258 S262 V263 I264L39-I220 HydrophobicContact CD1-CG2 3.98Å; L39-I220 HydrophobicContact CG-CG2 4.5Å; V217-I220 HydrophobicContact CG1-CG1 4.29Å; I220-F222 HydrophobicContact CG2-CB 4.33Å; I220-I252 HydrophobicContact CD1-CG2 3.82Å; I220-I252 HydrophobicContact CG2-CG2 4.13Å; I220-F258 HydrophobicContact CD1-CB 3.51Å; I220-F258 HydrophobicContact CD1-CD1 3.88Å; I220-F258 HydrophobicContact CD1-CD2 3.7Å; I220-F258 HydrophobicContact CD1-CE1 4.46Å; I220-F258 HydrophobicContact CD1-CE2 4.29Å; I220-F258 HydrophobicContact CD1-CG 3.44Å; I220-F258 VanDerWaalsContact CD1-CG 3.44Å; I220-F258 HydrophobicContact CG1-CD1 4.09Å; I220-F258 HydrophobicContact CG1-CE1 4.37Å; I220-F258 HydrophobicContact CG1-CG 4.17Å; I220-S262 PolarHBondContact N-O 3.44Å; I220-V263 HydrophobicContact CD1-CG2 4.22Å; I220-I264 PolarHBondContact O-N 3.12Å
221M97.6Very high95.3Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-10898.6167.3-72.3176.4163.800108.5L36 L37 L38 L39 F49 L223 I264 F266 F335 V338 I342L36-M221 HydrophobicContact CB-SD 4.2Å; L36-M221 HydrophobicContact CD1-CE 3.57Å; L36-M221 HydrophobicContact CD1-SD 4.04Å; L36-M221 HydrophobicContact CG-CE 4.47Å; L37-M221 PolarHBondContact O-N 2.77Å; L38-M221 CarbonylContact C-O 3.53Å; L38-M221 WeakPolarHBondContact CA-O 3.37Å; L38-M221 HydrophobicContact CD1-SD 4.3Å; L38-M221 HydrophobicContact CG-CB 4.21Å; L39-M221 PolarHBondContact N-O 3.13Å; F49-M221 HydrophobicContact CE1-SD 4.2Å; M221-L223 WeakPolarHBondContact O-CD1 3.42Å; M221-I264 HydrophobicContact CE-CD1 4.26Å; M221-I264 HydrophobicContact CG-CB 4.44Å; M221-I264 HydrophobicContact CG-CD1 4.28Å; M221-F266 HydrophobicContact CB-CD2 4.29Å; M221-F266 HydrophobicContact CB-CE2 3.96Å; M221-F266 HydrophobicContact CE-CE2 4.37Å; M221-F266 HydrophobicContact CE-CZ 4.46Å; M221-F266 HydrophobicContact CG-CE2 3.87Å; M221-F266 HydrophobicContact SD-CE2 4.03Å; M221-F335 HydrophobicContact CE-CD2 4.41Å; M221-F335 HydrophobicContact CE-CE2 4.08Å; M221-V338 HydrophobicContact CE-CG1 3.47Å; M221-V338 VanDerWaalsContact CE-CG1 3.47Å; M221-I342 HydrophobicContact CE-CD1 4.16Å
222F98.4Very high95.5Very high0 Ų025 Ų250%013%0.134CC..EExtended strand (participates in β ladder)trans-94.1118.9179.9-162.1-85.4000110.5L39 I220 V224 L248 F249 I252 I264 L265 F266 F307L39-F222 HydrophobicContact CB-CD2 3.74Å; L39-F222 HydrophobicContact CB-CE2 4.17Å; L39-F222 WeakPolarHBondContact O-CA 3.39Å; I220-F222 HydrophobicContact CG2-CB 4.33Å; F222-V224 HydrophobicContact CD1-CG2 3.82Å; F222-V224 HydrophobicContact CE1-CG2 3.88Å; F222-L248 HydrophobicContact CE2-CD2 4.15Å; F222-L248 HydrophobicContact CE2-CG 3.96Å; F222-L248 HydrophobicContact CZ-CB 4.2Å; F222-L248 HydrophobicContact CZ-CD2 3.89Å; F222-L248 HydrophobicContact CZ-CG 3.87Å; F222-F249 HydrophobicContact CB-CD2 3.88Å; F222-F249 HydrophobicContact CB-CE2 3.91Å; F222-F249 HydrophobicContact CD1-CB 4.23Å; F222-F249 AromaticContact CD1-CD2 3.52Å; F222-F249 HydrophobicContact CD1-CD2 3.52Å; F222-F249 HydrophobicContact CD1-CE2 4.26Å; F222-F249 HydrophobicContact CD1-CG 4.23Å; F222-F249 AromaticContact CD2-CD2 3.79Å; F222-F249 HydrophobicContact CD2-CD2 3.79Å; F222-F249 HydrophobicContact CE1-CB 3.73Å; F222-F249 AromaticContact CE1-CD2 3.92Å; F222-F249 HydrophobicContact CE1-CD2 3.92Å; F222-F249 HydrophobicContact CE1-CG 4.23Å; F222-F249 HydrophobicContact CE2-CB 4.2Å; F222-F249 HydrophobicContact CE2-CD2 4.16Å; F222-F249 AromaticContact CG-CD2 3.45Å; F222-F249 HydrophobicContact CG-CD2 3.45Å; F222-F249 VanDerWaalsContact CG-CD2 3.45Å; F222-F249 HydrophobicContact CG-CE2 4.02Å; F222-F249 HydrophobicContact CG-CG 4.49Å; F222-F249 HydrophobicContact CZ-CB 3.7Å; F222-F249 HydrophobicContact CZ-CD2 4.22Å; F222-F249 HydrophobicContact CZ-CG 4.47Å; F222-I252 HydrophobicContact CD2-CG1 4.44Å; F222-I252 HydrophobicContact CE2-CB 4.49Å; F222-I252 HydrophobicContact CE2-CG1 4.07Å; F222-I264 PolarHBondContact N-O 3.4Å; F222-L265 HydrophobicContact CB-CD1 4.46Å; F222-L265 HydrophobicContact CD1-CD1 4.14Å; F222-F266 PolarHBondContact O-N 3.06Å; F222-F307 HydrophobicContact CE1-CE1 4.35Å
223L98.5Very high95.5Very high1 Ų118.1 Ų18.11%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-99.6125.7179.6-6887.4000110.9L38 L39 S44 K46 F49 M221 F266L38-L223 HydrophobicContact CB-CD1 4.41Å; L38-L223 HydrophobicContact CD2-CD1 4.42Å; L38-L223 HydrophobicContact CG-CD1 4.42Å; L39-L223 PolarHBondContact O-N 3.27Å; S44-L223 WeakPolarHBondContact CB-O 3.25Å; S44-L223 WeakPolarHBondContact OG-CB 3Å; S44-L223 PolarHBondContact OG-O 3.42Å; K46-L223 HydrophobicContact CB-CD1 4.49Å; K46-L223 HydrophobicContact CG-CB 4.3Å; K46-L223 HydrophobicContact CG-CD1 3.74Å; K46-L223 HydrophobicContact CG-CD2 4.44Å; K46-L223 HydrophobicContact CG-CG 4.35Å; F49-L223 HydrophobicContact CB-CD2 4.26Å; M221-L223 WeakPolarHBondContact O-CD1 3.42Å; L223-F266 HydrophobicContact CD1-CD2 4.17Å; L223-F266 HydrophobicContact CG-CB 4Å; L223-F266 HydrophobicContact CG-CD2 4.02Å; L223-F266 HydrophobicContact CG-CG 4.47Å
224V98.6Very high95.2Very high0 Ų022.6 Ų22.60%013%0.129CC..EExtended strand (participates in β ladder)trans-112.3128.3174-179.20000108.3F222 L226 M242 L265 F266 N268 F307F222-V224 HydrophobicContact CD1-CG2 3.82Å; F222-V224 HydrophobicContact CE1-CG2 3.88Å; V224-L226 PolarHBondContact O-N 3.32Å; V224-M242 HydrophobicContact CG1-CE 4.06Å; V224-M242 HydrophobicContact CG1-SD 3.65Å; V224-L265 HydrophobicContact CG2-CD1 3.65Å; V224-F266 PolarHBondContact N-O 3.35Å; V224-N268 WeakPolarHBondContact O-CA 3.45Å; V224-N268 PolarHBondContact O-N 3.12Å; V224-F307 HydrophobicContact CB-CE1 4.46Å; V224-F307 HydrophobicContact CB-CZ 4.22Å; V224-F307 HydrophobicContact CG1-CE1 4.26Å; V224-F307 HydrophobicContact CG1-CE2 3.76Å; V224-F307 HydrophobicContact CG1-CZ 3.55Å; V224-F307 HydrophobicContact CG2-CD1 3.84Å; V224-F307 HydrophobicContact CG2-CE1 3.35Å; V224-F307 HydrophobicContact CG2-CE2 4.19Å; V224-F307 HydrophobicContact CG2-CG 4.45Å; V224-F307 HydrophobicContact CG2-CZ 3.56Å
225A98.1Very high94.8Very high1 Ų126.4 Ų26.41%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-85.7108.9169.500000109.8S227 E228 M242 K269A225-S227 PolarHBondContact O-N 3.11Å; A225-E228 HydrophobicContact CB-CB 4.34Å; A225-E228 VanDerWaalsContact CB-CD 3.41Å; A225-E228 HydrophobicContact CB-CG 3.6Å; A225-E228 VanDerWaalsContact CB-OE1 3.24Å; A225-E228 WeakPolarHBondContact CB-OE1 3.32Å; A225-E228 PolarHBondContact O-N 2.91Å; A225-M242 VanDerWaalsContact O-CE 3.22Å; A225-M242 WeakPolarHBondContact O-CE 3.48Å; A225-K269 HydrophobicContact CB-CD 3.72Å; A225-K269 HydrophobicContact CB-CG 4.37Å
226L98.5Very high94.7Very high0 Ų020.7 Ų20.70%012%0.124CC..G310 helixtrans-57.6-36.3178.8-72.6171.5000112.5V224 E228 Y229 L267 N268 K270 L273 R300 I303 F322V224-L226 PolarHBondContact O-N 3.32Å; L226-E228 PolarHBondContact O-N 3.11Å; L226-Y229 WeakPolarHBondContact O-CD1 3.45Å; L226-L267 HydrophobicContact CD1-CB 4.06Å; L226-L267 HydrophobicContact CD2-CB 4Å; L226-L267 HydrophobicContact CD2-CD2 3.64Å; L226-L267 HydrophobicContact CD2-CG 4.45Å; L226-L267 HydrophobicContact CG-CB 4.06Å; L226-N268 VanDerWaalsContact CB-O 3.27Å; L226-N268 WeakPolarHBondContact CB-O 3.48Å; L226-N268 WeakPolarHBondContact CG-O 3.36Å; L226-N268 PolarHBondContact N-O 3.22Å; L226-K270 HydrophobicContact CD1-CB 3.94Å; L226-L273 HydrophobicContact CB-CB 3.89Å; L226-L273 HydrophobicContact CB-CD2 3.95Å; L226-L273 HydrophobicContact CB-CG 4.35Å; L226-L273 HydrophobicContact CD1-CD2 4.05Å; L226-L273 HydrophobicContact CD2-CD2 4.32Å; L226-L273 HydrophobicContact CG-CD2 4.35Å; L226-R300 HydrophobicContact CD1-CG 4Å; L226-I303 HydrophobicContact CD2-CB 4.02Å; L226-I303 HydrophobicContact CD2-CD1 3.85Å; L226-I303 HydrophobicContact CD2-CG2 3.72Å; L226-F322 HydrophobicContact CD1-CD1 4.09Å
227S96.7Very high94.5Very high0 Ų021.6 Ų21.60%012%0.12CC..G310 helixtrans-71.7-3.8-177.263.50000115.2A225 K269 K276A225-S227 PolarHBondContact O-N 3.11Å; S227-K269 VanDerWaalsContact OG-CD 3.26Å; S227-K269 WeakPolarHBondContact OG-CD 3.27Å; S227-K276 PolarHBondContact O-NZ 3.2Å
228E96.6Very high94.3Very high2 Ų228 Ų281%0.00915%0.154CC..G310 helixtrans-914.2-176.9-67-177-167.100113.2A225 L226 D230 Q231 R241 K269A225-E228 HydrophobicContact CB-CB 4.34Å; A225-E228 VanDerWaalsContact CB-CD 3.41Å; A225-E228 HydrophobicContact CB-CG 3.6Å; A225-E228 VanDerWaalsContact CB-OE1 3.24Å; A225-E228 WeakPolarHBondContact CB-OE1 3.32Å; A225-E228 PolarHBondContact O-N 2.91Å; L226-E228 PolarHBondContact O-N 3.11Å; E228-D230 PolarHBondContact O-N 3.46Å; E228-Q231 PolarHBondContact O-N 3.36Å; E228-R241 HydrophobicContact CB-CB 3.82Å; E228-R241 VanDerWaalsContact CD-CZ 3.5Å; E228-R241 VanDerWaalsContact CD-NE 3.29Å; E228-R241 IonicContact OE1-CZ 2.54Å; E228-R241 IonicContact OE1-NE 2.8Å; E228-R241 IonicContact OE1-NH2 2.82Å; E228-R241 PolarHBondContact OE1-NH2 3.02Å; E228-R241 IonicContact OE2-CZ 2.9Å; E228-R241 IonicContact OE2-NE 2.74Å; E228-R241 PolarHBondContact OE2-NE 3.47Å; E228-R241 IonicContact OE2-NH2 3.32Å; E228-R241 PolarHBondContact OE2-NH2 3.25Å; E228-K269 IonicContact OE1-NZ 2.67Å; E228-K269 PolarHBondContact OE1-NZ 3Å
229Y97.3Very high94.3Very high0 Ų030 Ų300%016%0.162CC..THydrogen-bonded Turntrans-59.8-27.7-177.473-88.3000114.5L226 N240 L273 K276 V277 S280 L282 Y285L226-Y229 WeakPolarHBondContact O-CD1 3.45Å; Y229-N240 PolarHBondContact O-ND2 3.42Å; Y229-L273 HydrophobicContact CD1-CD1 3.65Å; Y229-L273 HydrophobicContact CE1-CD1 3.52Å; Y229-K276 HydrophobicContact CE1-CB 4.04Å; Y229-K276 VanDerWaalsContact OH-C 3.24Å; Y229-K276 WeakPolarHBondContact OH-CB 3.32Å; Y229-K276 PolarHBondContact OH-O 3.2Å; Y229-V277 HydrophobicContact CE1-CG1 4.43Å; Y229-V277 PolarHBondContact OH-N 2.98Å; Y229-S280 WeakPolarHBondContact OH-CB 3.36Å; Y229-S280 PolarHBondContact OH-O 2.82Å; Y229-L282 HydrophobicContact CD2-CD1 3.44Å; Y229-L282 VanDerWaalsContact CD2-CD1 3.44Å; Y229-L282 HydrophobicContact CE2-CD1 4.12Å; Y229-L282 HydrophobicContact CG-CD1 3.68Å; Y229-Y285 HydrophobicContact CD2-CD2 4.11Å; Y229-Y285 HydrophobicContact CE2-CD2 4.24Å; Y229-Y285 WeakPolarHBondContact O-CB 3.31Å
230D96.2Very high94.3Very high7 Ų731.5 Ų31.54%0.03717%0.17CC..THydrogen-bonded Turntrans-112.119.9-177.565.4-9.6000112.8E228 K276 S280 Y285E228-D230 PolarHBondContact O-N 3.46Å; D230-K276 VanDerWaalsContact CG-CE 3.41Å; D230-K276 WeakPolarHBondContact OD1-CE 3.47Å; D230-K276 IonicContact OD1-NZ 2.64Å; D230-K276 PolarHBondContact OD1-NZ 3.1Å; D230-K276 WeakPolarHBondContact OD2-CE 3.34Å; D230-K276 IonicContact OD2-NZ 3.51Å; D230-K276 PolarHBondContact OD2-NZ 3.48Å; D230-S280 WeakPolarHBondContact CB-OG 3.47Å; D230-S280 WeakPolarHBondContact OD2-CB 3.27Å; D230-S280 PolarHBondContact OD2-OG 3.11Å; D230-Y285 HydrophobicContact CB-CD1 4.19Å; D230-Y285 HydrophobicContact CB-CD2 3.82Å; D230-Y285 HydrophobicContact CB-CE1 3.75Å; D230-Y285 HydrophobicContact CB-CE2 3.36Å; D230-Y285 HydrophobicContact CB-CG 4.22Å
231Q95.6Very high94.3Very high12 Ų1231.9 Ų31.96%0.05617%0.171CC..  trans-117.6151.6-177.8-70.9-179.4-30.800111.9E228 N240 R241E228-Q231 PolarHBondContact O-N 3.36Å; Q231-N240 WeakPolarHBondContact O-CA 3.35Å; Q231-R241 HydrophobicContact CB-CG 4.09Å; Q231-R241 PolarHBondContact O-N 3.28Å
232V94.2Very high94.3Very high50 Ų5031.9 Ų31.930%0.30317%0.171SC..BIsolated β-bridgetrans-98.3157.6172.1-600000111.4Q146 D237 E239 R241Q146-V232 PolarHBondContact NE2-O 3.45Å; V232-D237 WeakPolarHBondContact CG1-O 3.18Å; V232-E239 CarbonylContact C-O 3.57Å; V232-E239 VanDerWaalsContact CA-O 3.23Å; V232-E239 WeakPolarHBondContact CA-O 3.39Å; V232-R241 VanDerWaalsContact O-CD 3.27Å; V232-R241 WeakPolarHBondContact O-CD 3.48Å; V232-R241 VanDerWaalsContact O-CG 3.24Å; V232-R241 WeakPolarHBondContact O-CG 3.26Å
233L90.9Very high94.2Very high10 Ų1035.6 Ų35.65%0.05219%0.189CC..  trans-65.2149.4177.9-66.6171.2000111.5E235 S236 E239 R241 E244L233-E235 PolarHBondContact O-N 3.03Å; L233-S236 WeakPolarHBondContact CB-O 3.47Å; L233-S236 PolarHBondContact N-O 2.75Å; L233-S236 CarbonylContact O-C 3.58Å; L233-S236 PolarHBondContact O-N 2.99Å; L233-S236 VanDerWaalsContact O-O 3.12Å; L233-E239 HydrophobicContact CD1-CB 3.77Å; L233-E239 HydrophobicContact CG-CB 4.29Å; L233-E239 PolarHBondContact N-O 2.95Å; L233-R241 HydrophobicContact CD2-CB 4.39Å; L233-R241 HydrophobicContact CD2-CG 3.91Å; L233-R241 HydrophobicContact CG-CG 4.32Å; L233-E244 HydrophobicContact CD1-CB 3.97Å; L233-E244 HydrophobicContact CD1-CG 3.97Å; L233-E244 HydrophobicContact CD2-CB 3.93Å; L233-E244 HydrophobicContact CD2-CG 3.82Å; L233-E244 HydrophobicContact CG-CB 4.32Å; L233-E244 HydrophobicContact CG-CG 4.49Å
234V86.5Confident94.2Very high96 Ų9636.4 Ų36.458%0.58219%0.193SC*.SBendtrans-64.3-37.5168.2-179.90000109.5Q146Q146-V234 HydrophobicContact CB-CG2 4.36Å; Q146-V234 HydrophobicContact CG-CB 4.48Å; Q146-V234 HydrophobicContact CG-CG2 3.83Å; Q146-V234 VanDerWaalsContact OE1-CG2 3.28Å
235E86.3Confident94.1Very high91 Ų9136.5 Ų36.543%0.42519%0.193SC..SBendtrans-81-12.3-177.7-56.897.2139.600114.2R204 L233R204-E235 PolarHBondContact N-OE1 2.91Å; L233-E235 PolarHBondContact O-N 3.03Å
236S88Confident94.1Very high25 Ų2537.9 Ų37.918%0.17520%0.199CC..  trans-159.7112.1-176.6-173.80000110.7L233 N238 E239L233-S236 WeakPolarHBondContact CB-O 3.47Å; L233-S236 PolarHBondContact N-O 2.75Å; L233-S236 CarbonylContact O-C 3.58Å; L233-S236 PolarHBondContact O-N 2.99Å; L233-S236 VanDerWaalsContact O-O 3.12Å; S236-N238 PolarHBondContact O-N 3.02Å; S236-E239 VanDerWaalsContact CB-OE1 3.31Å; S236-E239 WeakPolarHBondContact CB-OE1 3.25Å; S236-E239 PolarHBondContact O-N 3.28Å; S236-E239 WeakPolarHBondContact OG-CG 3.36Å; S236-E239 PolarHBondContact OG-OE1 2.95Å
237D86Confident94.1Very high119 Ų11940.3 Ų40.364%0.63622%0.219SC*.THydrogen-bonded Turntrans-72.9-11.4-176.960.1-9000114.2V232V232-D237 WeakPolarHBondContact CG1-O 3.18Å
238N89.3Confident94.1Very high146 Ų14640.9 Ų40.978%0.78122%0.222SC*.THydrogen-bonded Turntrans-102.82.3-179.9-62.8-47.8000113.7S236S236-N238 PolarHBondContact O-N 3.02Å
239E93.6Very high94.1Very high69 Ų6940.8 Ų40.832%0.32222%0.222SC..SBendtrans-117.5126.1-175.1-71.8-179.8-116.800111.3R204 V232 L233 S236R204-E239 IonicContact CZ-OE1 3.62Å; R204-E239 IonicContact CZ-OE2 2.77Å; R204-E239 IonicContact NH1-OE1 3.43Å; R204-E239 PolarHBondContact NH1-OE1 3.03Å; R204-E239 IonicContact NH1-OE2 3.11Å; R204-E239 IonicContact NH2-OE1 3.88Å; R204-E239 IonicContact NH2-OE2 3.61Å; R204-E239 PolarHBondContact NH2-OE2 2.97Å; V232-E239 CarbonylContact C-O 3.57Å; V232-E239 VanDerWaalsContact CA-O 3.23Å; V232-E239 WeakPolarHBondContact CA-O 3.39Å; L233-E239 HydrophobicContact CD1-CB 3.77Å; L233-E239 HydrophobicContact CG-CB 4.29Å; L233-E239 PolarHBondContact N-O 2.95Å; S236-E239 VanDerWaalsContact CB-OE1 3.31Å; S236-E239 WeakPolarHBondContact CB-OE1 3.25Å; S236-E239 PolarHBondContact O-N 3.28Å; S236-E239 WeakPolarHBondContact OG-CG 3.36Å; S236-E239 PolarHBondContact OG-OE1 2.95Å
240N96.3Very high94.1Very high32 Ų3248.2 Ų48.217%0.17125%0.249CC..BIsolated β-bridgetrans-69.5132.8176-177.7-73.4000111.1Y229 Q231 M242 E243 E244Y229-N240 PolarHBondContact O-ND2 3.42Å; Q231-N240 WeakPolarHBondContact O-CA 3.35Å; N240-M242 VanDerWaalsContact C-N 3.34Å; N240-M242 PolarHBondContact O-N 3.1Å; N240-M242 WeakPolarHBondContact OD1-CA 3.35Å; N240-M242 VanDerWaalsContact OD1-CB 3.28Å; N240-M242 WeakPolarHBondContact OD1-CB 3.22Å; N240-M242 PolarHBondContact OD1-N 3.49Å; N240-E243 HydrophobicContact CB-CB 4.14Å; N240-E243 HydrophobicContact CB-CG 4.15Å; N240-E243 PolarHBondContact O-N 3.15Å; N240-E243 PolarHBondContact OD1-N 3.26Å; N240-E243 VanDerWaalsContact OD1-N 3.16Å; N240-E244 PolarHBondContact O-N 2.85Å
241R96.4Very high94.1Very high8 Ų850.6 Ų50.63%0.0327%0.265CS..Hα-helixtrans-64-36.2-177.2-68.6-169.763.6151.8-9.4113.5G42 E43 E228 Q231 V232 L233 E244 S245G42-R241 PolarHBondContact O-NH2 2.66Å; E43-R241 VanDerWaalsContact CG-NH2 3.29Å; E43-R241 IonicContact OE2-CZ 2.66Å; E43-R241 IonicContact OE2-NH1 3.75Å; E43-R241 PolarHBondContact OE2-NH1 3.02Å; E43-R241 IonicContact OE2-NH2 3.79Å; E43-R241 PolarHBondContact OE2-NH2 2.74Å; E228-R241 HydrophobicContact CB-CB 3.82Å; E228-R241 VanDerWaalsContact CD-CZ 3.5Å; E228-R241 VanDerWaalsContact CD-NE 3.29Å; E228-R241 IonicContact OE1-CZ 2.54Å; E228-R241 IonicContact OE1-NE 2.8Å; E228-R241 IonicContact OE1-NH2 2.82Å; E228-R241 PolarHBondContact OE1-NH2 3.02Å; E228-R241 IonicContact OE2-CZ 2.9Å; E228-R241 IonicContact OE2-NE 2.74Å; E228-R241 PolarHBondContact OE2-NE 3.47Å; E228-R241 IonicContact OE2-NH2 3.32Å; E228-R241 PolarHBondContact OE2-NH2 3.25Å; Q231-R241 HydrophobicContact CB-CG 4.09Å; Q231-R241 PolarHBondContact O-N 3.28Å; V232-R241 VanDerWaalsContact O-CD 3.27Å; V232-R241 WeakPolarHBondContact O-CD 3.48Å; V232-R241 VanDerWaalsContact O-CG 3.24Å; V232-R241 WeakPolarHBondContact O-CG 3.26Å; L233-R241 HydrophobicContact CD2-CB 4.39Å; L233-R241 HydrophobicContact CD2-CG 3.91Å; L233-R241 HydrophobicContact CG-CG 4.32Å; R241-E244 PolarHBondContact O-N 2.85Å; R241-S245 PolarHBondContact O-N 3.27Å
242M97.8Very high94Very high1 Ų150.1 Ų50.11%0.00526%0.262CS..Hα-helixtrans-71.1-37.5177-178.768.772.500111.3V224 A225 N240 S245 K246 F286 I303 F307V224-M242 HydrophobicContact CG1-CE 4.06Å; V224-M242 HydrophobicContact CG1-SD 3.65Å; A225-M242 VanDerWaalsContact O-CE 3.22Å; A225-M242 WeakPolarHBondContact O-CE 3.48Å; N240-M242 VanDerWaalsContact C-N 3.34Å; N240-M242 PolarHBondContact O-N 3.1Å; N240-M242 WeakPolarHBondContact OD1-CA 3.35Å; N240-M242 VanDerWaalsContact OD1-CB 3.28Å; N240-M242 WeakPolarHBondContact OD1-CB 3.22Å; N240-M242 PolarHBondContact OD1-N 3.49Å; M242-S245 WeakPolarHBondContact O-CB 3.34Å; M242-S245 PolarHBondContact O-N 3.19Å; M242-K246 WeakPolarHBondContact O-CG 3.28Å; M242-K246 PolarHBondContact O-N 2.85Å; M242-F286 HydrophobicContact CB-CE2 4.26Å; M242-F286 HydrophobicContact CB-CZ 3.79Å; M242-F286 HydrophobicContact CG-CE1 4.47Å; M242-F286 HydrophobicContact CG-CE2 4.19Å; M242-F286 HydrophobicContact CG-CZ 3.63Å; M242-I303 HydrophobicContact CE-CD1 4.25Å; M242-I303 HydrophobicContact CE-CG2 4.09Å; M242-I303 HydrophobicContact SD-CG2 4.1Å; M242-F307 HydrophobicContact SD-CE2 3.57Å; M242-F307 VanDerWaalsContact SD-CE2 3.57Å; M242-F307 HydrophobicContact SD-CZ 3.86Å
243E97.4Very high94.1Very high77 Ų7748.3 Ų48.336%0.3625%0.251SS..Hα-helixtrans-64.3-40.5172.3-74.7-64.2173.200112.6N240 S245 K246 A247 F286N240-E243 HydrophobicContact CB-CB 4.14Å; N240-E243 HydrophobicContact CB-CG 4.15Å; N240-E243 PolarHBondContact O-N 3.15Å; N240-E243 PolarHBondContact OD1-N 3.26Å; N240-E243 VanDerWaalsContact OD1-N 3.16Å; E243-S245 VanDerWaalsContact C-N 3.3Å; E243-S245 PolarHBondContact O-N 3.24Å; E243-K246 VanDerWaalsContact CD-NZ 3.25Å; E243-K246 WeakPolarHBondContact O-CB 3.48Å; E243-K246 PolarHBondContact O-N 3.48Å; E243-K246 IonicContact OE1-NZ 2.92Å; E243-K246 PolarHBondContact OE1-NZ 3.42Å; E243-K246 WeakPolarHBondContact OE2-CD 3.43Å; E243-K246 WeakPolarHBondContact OE2-CE 3.39Å; E243-K246 IonicContact OE2-NZ 3.43Å; E243-K246 PolarHBondContact OE2-NZ 3.07Å; E243-A247 WeakPolarHBondContact O-CB 3.46Å; E243-A247 PolarHBondContact O-N 3.33Å; E243-F286 HydrophobicContact CG-CE1 4.16Å; E243-F286 HydrophobicContact CG-CZ 4.37Å; E243-F286 VanDerWaalsContact OE1-CE1 3.25Å; E243-F286 WeakPolarHBondContact OE1-CE1 3.1Å
244E97.1Very high94.2Very high19 Ų1951.2 Ų51.29%0.08927%0.269CS..Hα-helixtrans-59.7-42.3171172.771.6168.600111.5T41 R204 R207 L233 N240 R241 A247 L248T41-E244 HydrophobicContact CG2-CG 4.06Å; R204-E244 IonicContact CZ-OE1 3.59Å; R204-E244 IonicContact CZ-OE2 3.44Å; R204-E244 IonicContact NE-OE1 2.78Å; R204-E244 PolarHBondContact NE-OE1 3.44Å; R204-E244 IonicContact NE-OE2 2.72Å; R204-E244 IonicContact NH2-OE1 3.57Å; R204-E244 PolarHBondContact NH2-OE1 3.02Å; R204-E244 IonicContact NH2-OE2 3.64Å; R204-E244 PolarHBondContact NH2-OE2 3.47Å; R207-E244 IonicContact CZ-OE1 3.66Å; R207-E244 IonicContact NH1-OE1 2.66Å; R207-E244 PolarHBondContact NH1-OE1 2.95Å; R207-E244 IonicContact NH2-OE1 2.79Å; R207-E244 PolarHBondContact NH2-OE1 2.94Å; L233-E244 HydrophobicContact CD1-CB 3.97Å; L233-E244 HydrophobicContact CD1-CG 3.97Å; L233-E244 HydrophobicContact CD2-CB 3.93Å; L233-E244 HydrophobicContact CD2-CG 3.82Å; L233-E244 HydrophobicContact CG-CB 4.32Å; L233-E244 HydrophobicContact CG-CG 4.49Å; N240-E244 PolarHBondContact O-N 2.85Å; R241-E244 PolarHBondContact O-N 2.85Å; E244-A247 PolarHBondContact O-N 2.83Å; E244-L248 WeakPolarHBondContact O-CB 2.79Å; E244-L248 PolarHBondContact O-N 3.34Å
245S98.1Very high94.5Very high2 Ų251.2 Ų51.21%0.01426%0.259CS..Hα-helixtrans-63.2-40.8176.4-173.10000112R241 M242 E243 F249R241-S245 PolarHBondContact O-N 3.27Å; M242-S245 WeakPolarHBondContact O-CB 3.34Å; M242-S245 PolarHBondContact O-N 3.19Å; E243-S245 VanDerWaalsContact C-N 3.3Å; E243-S245 PolarHBondContact O-N 3.24Å; S245-F249 WeakPolarHBondContact O-CB 3.47Å; S245-F249 PolarHBondContact O-N 3.2Å
246K97.9Very high94.9Very high30 Ų3051 Ų5113%0.1327%0.265CS..Hα-helixtrans-62.3-51174.2-76.2168.561.8-1660111.4M242 E243 L248 F249 R250 F286 M306 F307 L310M242-K246 WeakPolarHBondContact O-CG 3.28Å; M242-K246 PolarHBondContact O-N 2.85Å; E243-K246 VanDerWaalsContact CD-NZ 3.25Å; E243-K246 WeakPolarHBondContact O-CB 3.48Å; E243-K246 PolarHBondContact O-N 3.48Å; E243-K246 IonicContact OE1-NZ 2.92Å; E243-K246 PolarHBondContact OE1-NZ 3.42Å; E243-K246 WeakPolarHBondContact OE2-CD 3.43Å; E243-K246 WeakPolarHBondContact OE2-CE 3.39Å; E243-K246 IonicContact OE2-NZ 3.43Å; E243-K246 PolarHBondContact OE2-NZ 3.07Å; K246-L248 VanDerWaalsContact C-N 3.29Å; K246-L248 PolarHBondContact O-N 2.89Å; K246-F249 PolarHBondContact O-N 3.36Å; K246-R250 PolarHBondContact O-N 3.24Å; K246-F286 HydrophobicContact CD-CE1 4.37Å; K246-M306 HydrophobicContact CD-CB 4.49Å; K246-M306 HydrophobicContact CD-SD 4.14Å; K246-F307 HydrophobicContact CB-CZ 4.38Å; K246-F307 HydrophobicContact CG-CD2 4.24Å; K246-F307 HydrophobicContact CG-CE1 4.16Å; K246-F307 HydrophobicContact CG-CE2 3.65Å; K246-F307 HydrophobicContact CG-CZ 3.59Å; K246-L310 HydrophobicContact CB-CD1 3.93Å; K246-L310 HydrophobicContact CG-CD1 4.23Å; K246-L310 WeakPolarHBondContact O-CD1 3.25Å
247A97Very high95.1Very high51 Ų5156.7 Ų56.742%0.42128%0.283SS..Hα-helixtrans-59.5-41.5179.100000111.9E243 E244 T251E243-A247 WeakPolarHBondContact O-CB 3.46Å; E243-A247 PolarHBondContact O-N 3.33Å; E244-A247 PolarHBondContact O-N 2.83Å; A247-T251 PolarHBondContact O-N 3.21Å; A247-T251 VanDerWaalsContact O-N 3.1Å; A247-T251 PolarHBondContact O-OG1 3.25Å
248L96.8Very high95.5Very high12 Ų1251 Ų516%0.06325%0.253CS..Hα-helixtrans-63.2-48174.5-178.763.6000111.7T41 W210 F222 E244 K246 R250 T251 I252T41-L248 HydrophobicContact CG2-CD2 4.1Å; W210-L248 HydrophobicContact CH2-CD1 3.93Å; W210-L248 HydrophobicContact CH2-CD2 3.85Å; W210-L248 HydrophobicContact CH2-CG 4.34Å; W210-L248 HydrophobicContact CZ3-CD1 3.68Å; W210-L248 HydrophobicContact CZ3-CD2 4.37Å; W210-L248 HydrophobicContact CZ3-CG 4.38Å; F222-L248 HydrophobicContact CE2-CD2 4.15Å; F222-L248 HydrophobicContact CE2-CG 3.96Å; F222-L248 HydrophobicContact CZ-CB 4.2Å; F222-L248 HydrophobicContact CZ-CD2 3.89Å; F222-L248 HydrophobicContact CZ-CG 3.87Å; E244-L248 WeakPolarHBondContact O-CB 2.79Å; E244-L248 PolarHBondContact O-N 3.34Å; K246-L248 VanDerWaalsContact C-N 3.29Å; K246-L248 PolarHBondContact O-N 2.89Å; L248-R250 PolarHBondContact O-N 2.77Å; L248-T251 WeakPolarHBondContact O-CB 3.23Å; L248-T251 PolarHBondContact O-N 3.48Å; L248-T251 VanDerWaalsContact O-N 3.17Å; L248-I252 WeakPolarHBondContact O-CG1 3.25Å; L248-I252 PolarHBondContact O-N 2.81Å
249F97.9Very high95.5Very high0 Ų050.9 Ų50.90%025%0.248CC..Hα-helixtrans-58.8-48.1178.8-177.8-114.2000111.8F222 S245 K246 T251 I252 I253 V263 L265 F307 L310 I318F222-F249 HydrophobicContact CB-CD2 3.88Å; F222-F249 HydrophobicContact CB-CE2 3.91Å; F222-F249 HydrophobicContact CD1-CB 4.23Å; F222-F249 AromaticContact CD1-CD2 3.52Å; F222-F249 HydrophobicContact CD1-CD2 3.52Å; F222-F249 HydrophobicContact CD1-CE2 4.26Å; F222-F249 HydrophobicContact CD1-CG 4.23Å; F222-F249 AromaticContact CD2-CD2 3.79Å; F222-F249 HydrophobicContact CD2-CD2 3.79Å; F222-F249 HydrophobicContact CE1-CB 3.73Å; F222-F249 AromaticContact CE1-CD2 3.92Å; F222-F249 HydrophobicContact CE1-CD2 3.92Å; F222-F249 HydrophobicContact CE1-CG 4.23Å; F222-F249 HydrophobicContact CE2-CB 4.2Å; F222-F249 HydrophobicContact CE2-CD2 4.16Å; F222-F249 AromaticContact CG-CD2 3.45Å; F222-F249 HydrophobicContact CG-CD2 3.45Å; F222-F249 VanDerWaalsContact CG-CD2 3.45Å; F222-F249 HydrophobicContact CG-CE2 4.02Å; F222-F249 HydrophobicContact CG-CG 4.49Å; F222-F249 HydrophobicContact CZ-CB 3.7Å; F222-F249 HydrophobicContact CZ-CD2 4.22Å; F222-F249 HydrophobicContact CZ-CG 4.47Å; S245-F249 WeakPolarHBondContact O-CB 3.47Å; S245-F249 PolarHBondContact O-N 3.2Å; K246-F249 PolarHBondContact O-N 3.36Å; F249-T251 VanDerWaalsContact C-N 3.25Å; F249-T251 PolarHBondContact O-N 3.34Å; F249-I252 PolarHBondContact O-N 2.79Å; F249-I252 VanDerWaalsContact O-N 3.07Å; F249-I253 HydrophobicContact CD1-CD1 4.04Å; F249-I253 HydrophobicContact CD1-CG2 4.39Å; F249-I253 HydrophobicContact CD2-CG2 3.98Å; F249-I253 HydrophobicContact CE1-CD1 3.77Å; F249-I253 HydrophobicContact CE1-CG2 3.98Å; F249-I253 HydrophobicContact CE2-CG2 3.53Å; F249-I253 HydrophobicContact CG-CG2 4.41Å; F249-I253 HydrophobicContact CZ-CD1 4.34Å; F249-I253 HydrophobicContact CZ-CG2 3.55Å; F249-I253 WeakPolarHBondContact O-CG1 3.49Å; F249-I253 PolarHBondContact O-N 3.38Å; F249-V263 HydrophobicContact CE2-CG1 3.95Å; F249-V263 HydrophobicContact CZ-CG1 4.09Å; F249-L265 HydrophobicContact CD2-CD1 4.42Å; F249-L265 HydrophobicContact CE2-CD1 4.07Å; F249-L265 HydrophobicContact CZ-CD1 4.31Å; F249-F307 HydrophobicContact CB-CD1 3.85Å; F249-F307 HydrophobicContact CB-CE1 3.81Å; F249-F307 HydrophobicContact CD1-CB 4.39Å; F249-F307 AromaticContact CD1-CD1 3.62Å; F249-F307 HydrophobicContact CD1-CD1 3.62Å; F249-F307 HydrophobicContact CD1-CE1 4.44Å; F249-F307 HydrophobicContact CD1-CG 4.46Å; F249-F307 HydrophobicContact CD2-CD1 4.5Å; F249-F307 HydrophobicContact CE1-CB 4.34Å; F249-F307 HydrophobicContact CE1-CD1 4.26Å; F249-F307 WeakPolarHBondContact CE1-O 3.42Å; F249-F307 AromaticContact CG-CD1 3.74Å; F249-F307 HydrophobicContact CG-CD1 3.74Å; F249-F307 HydrophobicContact CG-CE1 4.19Å; F249-L310 HydrophobicContact CD1-CB 4.36Å; F249-L310 HydrophobicContact CD1-CD1 4.02Å; F249-I318 HydrophobicContact CE1-CD1 3.96Å; F249-I318 HydrophobicContact CZ-CD1 3.83Å; F249-I318 HydrophobicContact CZ-CG1 4.46Å; F249-I318 HydrophobicContact CZ-CG2 4.33Å
250R96.8Very high95.3Very high155 Ų15556.3 Ų56.359%0.58527%0.273SS*.Hα-helixtrans-54.3-43.9175.4-175.1-178.9-179.3177.51.3111.6K246 L248 I253 T254 L310K246-R250 PolarHBondContact O-N 3.24Å; L248-R250 PolarHBondContact O-N 2.77Å; R250-I253 WeakPolarHBondContact O-CG1 3.44Å; R250-T254 WeakPolarHBondContact O-CB 3.42Å; R250-T254 VanDerWaalsContact O-CG2 3.26Å; R250-T254 WeakPolarHBondContact O-CG2 3.4Å; R250-T254 PolarHBondContact O-N 2.88Å; R250-T254 PolarHBondContact O-OG1 2.69Å; R250-L310 HydrophobicContact CB-CB 4.41Å; R250-L310 HydrophobicContact CB-CD1 4.4Å; R250-L310 HydrophobicContact CB-CD2 4.46Å
251T95.4Very high95.1Very high58 Ų5855.1 Ų55.136%0.35627%0.267SS..Hα-helixtrans-63.2-43.3178.3-57.10000111.3A247 L248 F249 T254 Y255A247-T251 PolarHBondContact O-N 3.21Å; A247-T251 VanDerWaalsContact O-N 3.1Å; A247-T251 PolarHBondContact O-OG1 3.25Å; L248-T251 WeakPolarHBondContact O-CB 3.23Å; L248-T251 PolarHBondContact O-N 3.48Å; L248-T251 VanDerWaalsContact O-N 3.17Å; F249-T251 VanDerWaalsContact C-N 3.25Å; F249-T251 PolarHBondContact O-N 3.34Å; T251-T254 PolarHBondContact O-OG1 3.24Å; T251-T254 VanDerWaalsContact O-OG1 3.12Å; T251-Y255 HydrophobicContact CG2-CD2 4.4Å; T251-Y255 HydrophobicContact CG2-CE1 4.32Å; T251-Y255 HydrophobicContact CG2-CE2 3.67Å; T251-Y255 WeakPolarHBondContact O-CD2 3.26Å; T251-Y255 PolarHBondContact O-N 2.91Å
252I95.2Very high95Very high2 Ų255.6 Ų55.61%0.0127%0.272CS..Hα-helixtrans-66.1-50.3-179.5-67.3-52.8000111.8L39 W210 F214 I220 F222 L248 F249 T254 Y255 F258L39-I252 HydrophobicContact CD1-CB 4.48Å; L39-I252 HydrophobicContact CD1-CD1 3.84Å; L39-I252 HydrophobicContact CD1-CG1 3.98Å; L39-I252 HydrophobicContact CD1-CG2 3.63Å; W210-I252 HydrophobicContact CE3-CD1 4.16Å; W210-I252 HydrophobicContact CZ3-CD1 4Å; W210-I252 HydrophobicContact CZ3-CG1 4.46Å; F214-I252 HydrophobicContact CZ-CD1 4.38Å; I220-I252 HydrophobicContact CD1-CG2 3.82Å; I220-I252 HydrophobicContact CG2-CG2 4.13Å; F222-I252 HydrophobicContact CD2-CG1 4.44Å; F222-I252 HydrophobicContact CE2-CB 4.49Å; F222-I252 HydrophobicContact CE2-CG1 4.07Å; L248-I252 WeakPolarHBondContact O-CG1 3.25Å; L248-I252 PolarHBondContact O-N 2.81Å; F249-I252 PolarHBondContact O-N 2.79Å; F249-I252 VanDerWaalsContact O-N 3.07Å; I252-T254 PolarHBondContact O-N 3.34Å; I252-Y255 HydrophobicContact CD1-CD2 3.96Å; I252-Y255 HydrophobicContact CD1-CE2 4.02Å; I252-Y255 PolarHBondContact O-N 3.05Å; I252-Y255 VanDerWaalsContact O-N 3.14Å; I252-F258 HydrophobicContact CD1-CE2 4.37Å; I252-F258 HydrophobicContact CG2-CD2 4.14Å; I252-F258 HydrophobicContact CG2-CE2 4.09Å; I252-F258 WeakPolarHBondContact O-CD2 3.47Å
253I94.5Very high94.9Very high12 Ų1255.5 Ų55.56%0.06227%0.271CS..Hα-helixtrans-68.5-18.5-176.466.8-176.7000113.3F249 R250 V263 L310 N311F249-I253 HydrophobicContact CD1-CD1 4.04Å; F249-I253 HydrophobicContact CD1-CG2 4.39Å; F249-I253 HydrophobicContact CD2-CG2 3.98Å; F249-I253 HydrophobicContact CE1-CD1 3.77Å; F249-I253 HydrophobicContact CE1-CG2 3.98Å; F249-I253 HydrophobicContact CE2-CG2 3.53Å; F249-I253 HydrophobicContact CG-CG2 4.41Å; F249-I253 HydrophobicContact CZ-CD1 4.34Å; F249-I253 HydrophobicContact CZ-CG2 3.55Å; F249-I253 WeakPolarHBondContact O-CG1 3.49Å; F249-I253 PolarHBondContact O-N 3.38Å; R250-I253 WeakPolarHBondContact O-CG1 3.44Å; I253-V263 HydrophobicContact CG2-CG1 4.13Å; I253-V263 HydrophobicContact CG2-CG2 4.35Å; I253-L310 HydrophobicContact CD1-CB 4.3Å; I253-N311 HydrophobicContact CD1-CB 4.35Å
254T93.8Very high94.9Very high70 Ų7051.9 Ų51.943%0.42925%0.254SS..Hα-helixtrans-93.7-6.6176.656.90000113.8R250 T251 I252 P312R250-T254 WeakPolarHBondContact O-CB 3.42Å; R250-T254 VanDerWaalsContact O-CG2 3.26Å; R250-T254 WeakPolarHBondContact O-CG2 3.4Å; R250-T254 PolarHBondContact O-N 2.88Å; R250-T254 PolarHBondContact O-OG1 2.69Å; T251-T254 PolarHBondContact O-OG1 3.24Å; T251-T254 VanDerWaalsContact O-OG1 3.12Å; I252-T254 PolarHBondContact O-N 3.34Å; T254-P312 HydrophobicContact CG2-CG 3.8Å
255Y93.8Very high95Very high96 Ų9651 Ų5138%0.37625%0.25SC..  trans-68.7131.9178.9-88.1-43000111.9F214 T251 I252 W257 F258F214-Y255 AromaticContact CE2-CD2 3.97Å; F214-Y255 HydrophobicContact CE2-CD2 3.97Å; F214-Y255 HydrophobicContact CE2-CE2 4.12Å; T251-Y255 HydrophobicContact CG2-CD2 4.4Å; T251-Y255 HydrophobicContact CG2-CE1 4.32Å; T251-Y255 HydrophobicContact CG2-CE2 3.67Å; T251-Y255 WeakPolarHBondContact O-CD2 3.26Å; T251-Y255 PolarHBondContact O-N 2.91Å; I252-Y255 HydrophobicContact CD1-CD2 3.96Å; I252-Y255 HydrophobicContact CD1-CE2 4.02Å; I252-Y255 PolarHBondContact O-N 3.05Å; I252-Y255 VanDerWaalsContact O-N 3.14Å; Y255-W257 PolarHBondContact O-N 3.31Å; Y255-W257 VanDerWaalsContact O-N 3.15Å; Y255-F258 HydrophobicContact CD2-CE2 4.25Å; Y255-F258 PolarHBondContact O-N 3.04Å
256P92.9Very high95Very high86 Ų8650.9 Ų50.956%0.55825%0.249SC*.G310 helixtrans-56.3-33177.6-28.235.8000114.1F258 Q259P256-F258 PolarHBondContact O-N 3.45Å; P256-Q259 WeakPolarHBondContact O-CG 3.39Å; P256-Q259 PolarHBondContact O-N 3.44Å
257W93.1Very high95.1Very high146 Ų14649.4 Ų49.455%0.55324%0.243SC*.G310 helixtrans-52.8-26.2176.3-67.2101.2000114.1F214 Y255F214-W257 HydrophobicContact CB-CB 4.14Å; F214-W257 HydrophobicContact CB-CD2 4.05Å; F214-W257 HydrophobicContact CB-CE3 4.18Å; F214-W257 HydrophobicContact CB-CG 4.04Å; F214-W257 HydrophobicContact CD2-CB 4.12Å; F214-W257 AromaticContact CD2-CD1 3.8Å; F214-W257 AromaticContact CD2-CG 3.89Å; F214-W257 HydrophobicContact CD2-CG 3.89Å; F214-W257 HydrophobicContact CG-CG 4.46Å; Y255-W257 PolarHBondContact O-N 3.31Å; Y255-W257 VanDerWaalsContact O-N 3.15Å
258F93.6Very high95.1Very high0 Ų047.2 Ų47.20%022%0.224CC..G310 helixtrans-115.813.9-171.3-56-50.7000113.5L37 L39 F214 V217 I220 I252 Y255 P256 E260 S261 K316L37-F258 HydrophobicContact CD2-CE1 3.88Å; L37-F258 HydrophobicContact CD2-CZ 3.7Å; L39-F258 HydrophobicContact CD1-CE2 4.5Å; L39-F258 HydrophobicContact CD1-CZ 4.46Å; F214-F258 HydrophobicContact CB-CE1 4.25Å; F214-F258 HydrophobicContact CB-CZ 4.23Å; F214-F258 HydrophobicContact CD1-CE1 4.05Å; F214-F258 HydrophobicContact CD1-CE2 4.3Å; F214-F258 AromaticContact CD1-CZ 3.38Å; F214-F258 HydrophobicContact CD1-CZ 3.38Å; F214-F258 HydrophobicContact CD2-CE2 4.06Å; F214-F258 AromaticContact CD2-CZ 3.76Å; F214-F258 HydrophobicContact CD2-CZ 3.76Å; F214-F258 HydrophobicContact CE1-CE2 4.06Å; F214-F258 AromaticContact CE1-CZ 3.46Å; F214-F258 HydrophobicContact CE1-CZ 3.46Å; F214-F258 VanDerWaalsContact CE1-CZ 3.46Å; F214-F258 AromaticContact CE2-CE2 3.82Å; F214-F258 HydrophobicContact CE2-CE2 3.82Å; F214-F258 AromaticContact CE2-CZ 3.84Å; F214-F258 HydrophobicContact CE2-CZ 3.84Å; F214-F258 HydrophobicContact CG-CE1 4.03Å; F214-F258 HydrophobicContact CG-CE2 4.29Å; F214-F258 AromaticContact CG-CZ 3.52Å; F214-F258 HydrophobicContact CG-CZ 3.52Å; F214-F258 AromaticContact CZ-CE2 3.81Å; F214-F258 HydrophobicContact CZ-CE2 3.81Å; F214-F258 AromaticContact CZ-CZ 3.69Å; F214-F258 HydrophobicContact CZ-CZ 3.69Å; V217-F258 HydrophobicContact CB-CD1 4.26Å; V217-F258 HydrophobicContact CB-CE1 4.09Å; V217-F258 HydrophobicContact CG1-CD1 4.42Å; V217-F258 HydrophobicContact CG1-CE1 4.3Å; V217-F258 HydrophobicContact CG2-CE1 4Å; I220-F258 HydrophobicContact CD1-CB 3.51Å; I220-F258 HydrophobicContact CD1-CD1 3.88Å; I220-F258 HydrophobicContact CD1-CD2 3.7Å; I220-F258 HydrophobicContact CD1-CE1 4.46Å; I220-F258 HydrophobicContact CD1-CE2 4.29Å; I220-F258 HydrophobicContact CD1-CG 3.44Å; I220-F258 VanDerWaalsContact CD1-CG 3.44Å; I220-F258 HydrophobicContact CG1-CD1 4.09Å; I220-F258 HydrophobicContact CG1-CE1 4.37Å; I220-F258 HydrophobicContact CG1-CG 4.17Å; I252-F258 HydrophobicContact CD1-CE2 4.37Å; I252-F258 HydrophobicContact CG2-CD2 4.14Å; I252-F258 HydrophobicContact CG2-CE2 4.09Å; I252-F258 WeakPolarHBondContact O-CD2 3.47Å; Y255-F258 HydrophobicContact CD2-CE2 4.25Å; Y255-F258 PolarHBondContact O-N 3.04Å; P256-F258 PolarHBondContact O-N 3.45Å; F258-E260 VanDerWaalsContact C-N 3.29Å; F258-E260 PolarHBondContact O-N 3.32Å; F258-S261 PolarHBondContact O-N 3.13Å; F258-S261 VanDerWaalsContact O-N 3.14Å; F258-K316 PolarHBondContact O-NZ 3.19Å
259Q89.8Confident95.2Very high142 Ų14247.6 Ų47.666%0.66423%0.225SC*.SBendtrans-53.9-48.1-178.5-78.8175.4-9.700111.5P256 K316P256-Q259 WeakPolarHBondContact O-CG 3.39Å; P256-Q259 PolarHBondContact O-N 3.44Å; Q259-K316 PolarHBondContact O-NZ 2.82Å
260E89.3Confident95.2Very high184 Ų18450.2 Ų50.286%0.8624%0.237SC*.SBendtrans-82.9-15.6-179.7-61.9177.3169.200113.3F258F258-E260 VanDerWaalsContact C-N 3.29Å; F258-E260 PolarHBondContact O-N 3.32Å
261S93.5Very high95.2Very high7 Ų745.6 Ų45.65%0.04922%0.224CC..SBendtrans-71.8135.4179.2-49.70000111.4V217 T218 F258 K316V217-S261 WeakPolarHBondContact O-CB 3.44Å; V217-S261 PolarHBondContact O-OG 3.47Å; T218-S261 WeakPolarHBondContact O-CA 3.41Å; F258-S261 PolarHBondContact O-N 3.13Å; F258-S261 VanDerWaalsContact O-N 3.14Å; S261-K316 VanDerWaalsContact O-CE 3.26Å; S261-K316 WeakPolarHBondContact O-CE 3.47Å; S261-K316 PolarHBondContact O-NZ 3.04Å; S261-K316 VanDerWaalsContact O-NZ 3.07Å
262S93.9Very high95.2Very high17 Ų1744.3 Ų44.312%0.11921%0.214CC..EExtended strand (participates in β ladder)trans-70149.3170.171.90000110.9T218 S219 I220T218-S262 PolarHBondContact O-N 3.31Å; S219-S262 CarbonylContact C-O 3.6Å; S219-S262 WeakPolarHBondContact CA-O 3.32Å; S219-S262 WeakPolarHBondContact CB-OG 3.19Å; S219-S262 PolarHBondContact OG-OG 2.93Å; I220-S262 PolarHBondContact N-O 3.44Å
263V96.2Very high95.4Very high0 Ų044.2 Ų44.20%021%0.214CC..EExtended strand (participates in β ladder)trans-116.6121-177.9-179.50000110.1I220 F249 I253 I318 Y319I220-V263 HydrophobicContact CD1-CG2 4.22Å; F249-V263 HydrophobicContact CE2-CG1 3.95Å; F249-V263 HydrophobicContact CZ-CG1 4.09Å; I253-V263 HydrophobicContact CG2-CG1 4.13Å; I253-V263 HydrophobicContact CG2-CG2 4.35Å; V263-I318 HydrophobicContact CB-CG1 4.43Å; V263-I318 HydrophobicContact CG1-CG1 4.27Å; V263-I318 HydrophobicContact CG1-CG2 4.36Å; V263-Y319 PolarHBondContact O-N 2.97Å
264I97.3Very high95.5Very high0 Ų049.2 Ų49.20%024%0.237CC..EExtended strand (participates in β ladder)trans-112.2125.4173.8-62.4143.1000108I220 M221 F222 F266 Y319 V338 I342I220-I264 PolarHBondContact O-N 3.12Å; M221-I264 HydrophobicContact CE-CD1 4.26Å; M221-I264 HydrophobicContact CG-CB 4.44Å; M221-I264 HydrophobicContact CG-CD1 4.28Å; F222-I264 PolarHBondContact N-O 3.4Å; I264-F266 HydrophobicContact CG2-CD1 4.44Å; I264-F266 HydrophobicContact CG2-CD2 4.45Å; I264-F266 HydrophobicContact CG2-CE1 3.93Å; I264-F266 HydrophobicContact CG2-CE2 4.02Å; I264-F266 HydrophobicContact CG2-CZ 3.74Å; I264-Y319 CarbonylContact C-O 3.59Å; I264-Y319 VanDerWaalsContact CA-O 3.28Å; I264-Y319 WeakPolarHBondContact CA-O 3.41Å; I264-V338 HydrophobicContact CD1-CG1 3.48Å; I264-V338 VanDerWaalsContact CD1-CG1 3.48Å; I264-V338 HydrophobicContact CG1-CG1 4.28Å; I264-V338 HydrophobicContact CG2-CG1 4.46Å; I264-V338 HydrophobicContact CG2-CG2 3.9Å; I264-I342 HydrophobicContact CD1-CD1 3.74Å; I264-I342 HydrophobicContact CD1-CG1 3.82Å
265L98.3Very high95.6Very high0 Ų049.2 Ų49.20%023%0.232CC..EExtended strand (participates in β ladder)trans-106.4111.2-179.6179.566.5000109.8F222 V224 F249 L267 L304 F307 I318 Y319 S320 H321F222-L265 HydrophobicContact CB-CD1 4.46Å; F222-L265 HydrophobicContact CD1-CD1 4.14Å; V224-L265 HydrophobicContact CG2-CD1 3.65Å; F249-L265 HydrophobicContact CD2-CD1 4.42Å; F249-L265 HydrophobicContact CE2-CD1 4.07Å; F249-L265 HydrophobicContact CZ-CD1 4.31Å; L265-L267 HydrophobicContact CD2-CD1 4.16Å; L265-L267 HydrophobicContact CD2-CG 4.41Å; L265-L267 HydrophobicContact CG-CD1 4.33Å; L265-L267 HydrophobicContact CG-CG 4.31Å; L265-L304 HydrophobicContact CD2-CD1 4.26Å; L265-F307 HydrophobicContact CD1-CD1 4.15Å; L265-F307 HydrophobicContact CD2-CB 3.62Å; L265-F307 HydrophobicContact CD2-CG 4.28Å; L265-I318 HydrophobicContact CB-CG2 3.65Å; L265-I318 HydrophobicContact CD2-CG2 4.23Å; L265-Y319 PolarHBondContact N-O 3.32Å; L265-S320 CarbonylContact O-C 3.6Å; L265-S320 VanDerWaalsContact O-CA 3.28Å; L265-S320 WeakPolarHBondContact O-CA 3.22Å; L265-H321 PolarHBondContact O-N 2.95Å
266F98.5Very high95.7Very high0 Ų045.4 Ų45.40%022%0.218CC..EExtended strand (participates in β ladder)trans-94114.2171.9-68.2-56.1000110.4F49 M221 F222 L223 V224 I264 N268 H321 T323 V334 V338F49-F266 HydrophobicContact CE2-CE1 4.39Å; F49-F266 AromaticContact CE2-CE2 3.97Å; F49-F266 HydrophobicContact CE2-CE2 3.97Å; F49-F266 AromaticContact CE2-CZ 3.86Å; F49-F266 HydrophobicContact CE2-CZ 3.86Å; F49-F266 AromaticContact CZ-CE2 3.93Å; F49-F266 HydrophobicContact CZ-CE2 3.93Å; F49-F266 AromaticContact CZ-CZ 3.84Å; F49-F266 HydrophobicContact CZ-CZ 3.84Å; M221-F266 HydrophobicContact CB-CD2 4.29Å; M221-F266 HydrophobicContact CB-CE2 3.96Å; M221-F266 HydrophobicContact CE-CE2 4.37Å; M221-F266 HydrophobicContact CE-CZ 4.46Å; M221-F266 HydrophobicContact CG-CE2 3.87Å; M221-F266 HydrophobicContact SD-CE2 4.03Å; F222-F266 PolarHBondContact O-N 3.06Å; L223-F266 HydrophobicContact CD1-CD2 4.17Å; L223-F266 HydrophobicContact CG-CB 4Å; L223-F266 HydrophobicContact CG-CD2 4.02Å; L223-F266 HydrophobicContact CG-CG 4.47Å; V224-F266 PolarHBondContact N-O 3.35Å; I264-F266 HydrophobicContact CG2-CD1 4.44Å; I264-F266 HydrophobicContact CG2-CD2 4.45Å; I264-F266 HydrophobicContact CG2-CE1 3.93Å; I264-F266 HydrophobicContact CG2-CE2 4.02Å; I264-F266 HydrophobicContact CG2-CZ 3.74Å; F266-N268 PolarHBondContact O-N 3.34Å; F266-H321 WeakPolarHBondContact CA-O 3.49Å; F266-H321 HydrophobicContact CD1-CB 3.96Å; F266-H321 HydrophobicContact CE1-CB 4.13Å; F266-T323 HydrophobicContact CD1-CG2 3.7Å; F266-T323 HydrophobicContact CE1-CG2 4.32Å; F266-T323 HydrophobicContact CG-CG2 4.47Å; F266-V334 HydrophobicContact CD1-CG1 4.02Å; F266-V334 HydrophobicContact CE1-CG1 3.35Å; F266-V334 HydrophobicContact CZ-CG1 4.29Å; F266-V338 HydrophobicContact CE1-CG2 3.97Å; F266-V338 HydrophobicContact CZ-CG2 3.9Å
267L98.7Very high95.8Very high0 Ų041.6 Ų41.60%019%0.192CC..EExtended strand (participates in β ladder)trans-91.886.8171.7-68.5134.1000107.6L226 L265 I303 L304 H321 F322 T323L226-L267 HydrophobicContact CD1-CB 4.06Å; L226-L267 HydrophobicContact CD2-CB 4Å; L226-L267 HydrophobicContact CD2-CD2 3.64Å; L226-L267 HydrophobicContact CD2-CG 4.45Å; L226-L267 HydrophobicContact CG-CB 4.06Å; L265-L267 HydrophobicContact CD2-CD1 4.16Å; L265-L267 HydrophobicContact CD2-CG 4.41Å; L265-L267 HydrophobicContact CG-CD1 4.33Å; L265-L267 HydrophobicContact CG-CG 4.31Å; L267-I303 HydrophobicContact CD2-CG2 3.9Å; L267-L304 HydrophobicContact CD1-CB 4.02Å; L267-L304 HydrophobicContact CD1-CD1 3.62Å; L267-L304 HydrophobicContact CD1-CG 4.32Å; L267-H321 PolarHBondContact N-O 2.89Å; L267-F322 HydrophobicContact CB-CD1 3.49Å; L267-F322 VanDerWaalsContact CB-CD1 3.49Å; L267-F322 HydrophobicContact CB-CE1 3.76Å; L267-F322 HydrophobicContact CB-CG 4.49Å; L267-F322 HydrophobicContact CD1-CD1 4.09Å; L267-F322 HydrophobicContact CD1-CE1 3.7Å; L267-F322 HydrophobicContact CD1-CZ 4.2Å; L267-F322 HydrophobicContact CD2-CE1 4.41Å; L267-F322 HydrophobicContact CG-CD1 4.34Å; L267-F322 HydrophobicContact CG-CE1 4.15Å; L267-F322 CarbonylContact O-C 3.39Å; L267-F322 WeakPolarHBondContact O-CA 3.2Å; L267-T323 PolarHBondContact O-N 3.16Å
268N98.5Very high95.9Very high4 Ų437.9 Ų37.92%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-89.5167.8-170.2-170.933.2000112.7S44 V224 L226 F266 K270 T323 A325S44-N268 PolarHBondContact O-ND2 2.82Å; V224-N268 WeakPolarHBondContact O-CA 3.45Å; V224-N268 PolarHBondContact O-N 3.12Å; L226-N268 VanDerWaalsContact CB-O 3.27Å; L226-N268 WeakPolarHBondContact CB-O 3.48Å; L226-N268 WeakPolarHBondContact CG-O 3.36Å; L226-N268 PolarHBondContact N-O 3.22Å; F266-N268 PolarHBondContact O-N 3.34Å; N268-K270 VanDerWaalsContact C-N 3.31Å; N268-K270 PolarHBondContact O-N 3.36Å; N268-T323 CarbonylContact C-O 3.58Å; N268-T323 WeakPolarHBondContact CA-O 3.34Å; N268-T323 WeakPolarHBondContact CA-OG1 3.49Å; N268-T323 WeakPolarHBondContact CB-OG1 3.47Å; N268-T323 PolarHBondContact OD1-O 3.37Å; N268-T323 PolarHBondContact OD1-OG1 3.27Å; N268-A325 PolarHBondContact OD1-N 2.98Å
269K98Very high95.9Very high20 Ų2046.4 Ų46.49%0.08722%0.217CC..  trans60.737.8-178.4-49.7-178-172.6175.60112.6E43 D149 A225 S227 E228 D271 L272 L273 T323E43-K269 WeakPolarHBondContact O-CE 3.23Å; E43-K269 PolarHBondContact O-NZ 2.83Å; D149-K269 WeakPolarHBondContact OD2-CD 3.44Å; D149-K269 VanDerWaalsContact OD2-CE 3.25Å; D149-K269 WeakPolarHBondContact OD2-CE 3.39Å; D149-K269 IonicContact OD2-NZ 2.83Å; D149-K269 PolarHBondContact OD2-NZ 3.38Å; A225-K269 HydrophobicContact CB-CD 3.72Å; A225-K269 HydrophobicContact CB-CG 4.37Å; S227-K269 VanDerWaalsContact OG-CD 3.26Å; S227-K269 WeakPolarHBondContact OG-CD 3.27Å; E228-K269 IonicContact OE1-NZ 2.67Å; E228-K269 PolarHBondContact OE1-NZ 3Å; K269-D271 VanDerWaalsContact C-OD1 3.3Å; K269-D271 WeakPolarHBondContact CA-OD1 3.41Å; K269-D271 PolarHBondContact O-N 3.11Å; K269-L272 HydrophobicContact CB-CB 4.32Å; K269-L272 HydrophobicContact CB-CD1 4.26Å; K269-L272 HydrophobicContact CB-CG 4.44Å; K269-L272 HydrophobicContact CD-CD1 4.12Å; K269-L272 HydrophobicContact CG-CD1 4.49Å; K269-L272 PolarHBondContact O-N 3.27Å; K269-L272 VanDerWaalsContact O-N 3.15Å; K269-L273 PolarHBondContact O-N 3.47Å; K269-L273 VanDerWaalsContact O-N 3.07Å; K269-T323 PolarHBondContact N-O 2.71Å; K269-T323 VanDerWaalsContact N-O 3.1Å
270K97.6Very high96.2Very high55 Ų5540 Ų4024%0.23919%0.187CC..Hα-helixtrans-58.3-31.6178.171-180-175.1174.90112.6L226 N268 L273 E274 F322 T323 C324L226-K270 HydrophobicContact CD1-CB 3.94Å; N268-K270 VanDerWaalsContact C-N 3.31Å; N268-K270 PolarHBondContact O-N 3.36Å; K270-L273 PolarHBondContact O-N 3.38Å; K270-E274 WeakPolarHBondContact O-CB 3.39Å; K270-E274 PolarHBondContact O-N 2.94Å; K270-F322 HydrophobicContact CD-CB 4.29Å; K270-T323 PolarHBondContact N-O 3.05Å; K270-C324 HydrophobicContact CG-CB 4.38Å
271D97.1Very high96.4Very high59 Ų5932.9 Ų32.932%0.31615%0.154SC..Hα-helixtrans-63.5-44.6175.753.8-53.2000112K269 E274 E275 C324K269-D271 VanDerWaalsContact C-OD1 3.3Å; K269-D271 WeakPolarHBondContact CA-OD1 3.41Å; K269-D271 PolarHBondContact O-N 3.11Å; D271-E274 PolarHBondContact O-N 3.35Å; D271-E275 PolarHBondContact O-N 3.04Å; D271-C324 PolarHBondContact OD1-SG 3.25Å
272L97Very high96.6Very high30 Ų3032.8 Ų32.816%0.15715%0.153CC..Hα-helixtrans-74.6-30.9178.4-60.3-177000112.3D149 K269 K276D149-L272 HydrophobicContact CB-CD1 3.64Å; D149-L272 VanDerWaalsContact CG-CD1 3.42Å; K269-L272 HydrophobicContact CB-CB 4.32Å; K269-L272 HydrophobicContact CB-CD1 4.26Å; K269-L272 HydrophobicContact CB-CG 4.44Å; K269-L272 HydrophobicContact CD-CD1 4.12Å; K269-L272 HydrophobicContact CG-CD1 4.49Å; K269-L272 PolarHBondContact O-N 3.27Å; K269-L272 VanDerWaalsContact O-N 3.15Å; L272-K276 WeakPolarHBondContact O-CB 3.2Å; L272-K276 VanDerWaalsContact O-CG 3.23Å; L272-K276 WeakPolarHBondContact O-CG 3.42Å; L272-K276 PolarHBondContact O-N 3.21Å; L272-K276 VanDerWaalsContact O-N 3.1Å
273L97.9Very high96.7Very high0 Ų034.4 Ų34.40%016%0.162CC..Hα-helixtrans-61.6-48.217017770.6000110.3L226 Y229 K269 K270 E275 K276 V277 A299 R300 I303L226-L273 HydrophobicContact CB-CB 3.89Å; L226-L273 HydrophobicContact CB-CD2 3.95Å; L226-L273 HydrophobicContact CB-CG 4.35Å; L226-L273 HydrophobicContact CD1-CD2 4.05Å; L226-L273 HydrophobicContact CD2-CD2 4.32Å; L226-L273 HydrophobicContact CG-CD2 4.35Å; Y229-L273 HydrophobicContact CD1-CD1 3.65Å; Y229-L273 HydrophobicContact CE1-CD1 3.52Å; K269-L273 PolarHBondContact O-N 3.47Å; K269-L273 VanDerWaalsContact O-N 3.07Å; K270-L273 PolarHBondContact O-N 3.38Å; L273-E275 VanDerWaalsContact C-N 3.28Å; L273-E275 PolarHBondContact O-N 3.34Å; L273-K276 PolarHBondContact O-N 3.48Å; L273-K276 VanDerWaalsContact O-N 3.08Å; L273-V277 HydrophobicContact CD1-CG1 3.56Å; L273-V277 HydrophobicContact CG-CG1 3.97Å; L273-V277 WeakPolarHBondContact O-CG1 3.32Å; L273-V277 WeakPolarHBondContact O-CG2 3.35Å; L273-V277 PolarHBondContact O-N 3.24Å; L273-A299 HydrophobicContact CD2-CB 4.37Å; L273-R300 HydrophobicContact CD2-CB 4.41Å; L273-R300 HydrophobicContact CD2-CG 3.36Å; L273-I303 HydrophobicContact CD1-CD1 4.33Å; L273-I303 HydrophobicContact CD2-CD1 4.39Å
274E97.1Very high96.7Very high118 Ų11839.8 Ų39.855%0.55119%0.191SC*.Hα-helixtrans-57.2-39.5-179.7-176172.1-16800112.5K270 D271 A296K270-E274 WeakPolarHBondContact O-CB 3.39Å; K270-E274 PolarHBondContact O-N 2.94Å; D271-E274 PolarHBondContact O-N 3.35Å; E274-A296 HydrophobicContact CB-CB 3.98Å; E274-A296 HydrophobicContact CG-CB 3.94Å
275E95.4Very high96.6Very high69 Ų6943.8 Ų43.832%0.32221%0.206SC..Hα-helixtrans-65.6-47.7172.6-172.9-168.4139.800112.1R142 D271 L273 L278R142-E275 IonicContact CZ-OE1 3.4Å; R142-E275 IonicContact NH1-OE1 2.89Å; R142-E275 IonicContact NH2-OE1 3.46Å; R142-E275 PolarHBondContact NH2-OE1 3.48Å; D271-E275 PolarHBondContact O-N 3.04Å; L273-E275 VanDerWaalsContact C-N 3.28Å; L273-E275 PolarHBondContact O-N 3.34Å; E275-L278 WeakPolarHBondContact O-CB 3.47Å
276K95.8Very high96.5Very high17 Ų1743.8 Ų43.87%0.07421%0.207CC..Hα-helixtrans-73.5-37-169.2-71.8177.672.4171.50113.4S227 Y229 D230 L272 L273 L278 Y279 S280S227-K276 PolarHBondContact O-NZ 3.2Å; Y229-K276 HydrophobicContact CE1-CB 4.04Å; Y229-K276 VanDerWaalsContact OH-C 3.24Å; Y229-K276 WeakPolarHBondContact OH-CB 3.32Å; Y229-K276 PolarHBondContact OH-O 3.2Å; D230-K276 VanDerWaalsContact CG-CE 3.41Å; D230-K276 WeakPolarHBondContact OD1-CE 3.47Å; D230-K276 IonicContact OD1-NZ 2.64Å; D230-K276 PolarHBondContact OD1-NZ 3.1Å; D230-K276 WeakPolarHBondContact OD2-CE 3.34Å; D230-K276 IonicContact OD2-NZ 3.51Å; D230-K276 PolarHBondContact OD2-NZ 3.48Å; L272-K276 WeakPolarHBondContact O-CB 3.2Å; L272-K276 VanDerWaalsContact O-CG 3.23Å; L272-K276 WeakPolarHBondContact O-CG 3.42Å; L272-K276 PolarHBondContact O-N 3.21Å; L272-K276 VanDerWaalsContact O-N 3.1Å; L273-K276 PolarHBondContact O-N 3.48Å; L273-K276 VanDerWaalsContact O-N 3.08Å; K276-L278 PolarHBondContact O-N 3.1Å; K276-Y279 PolarHBondContact O-N 3.24Å; K276-S280 WeakPolarHBondContact O-CB 3.41Å; K276-S280 PolarHBondContact O-N 2.99Å
277V96Very high96.5Very high5 Ų548.5 Ų48.53%0.0324%0.237CC..THydrogen-bonded Turntrans-62.5-18-178.3-65.50000113.5Y229 L273 Y279 R294 A296 A299Y229-V277 HydrophobicContact CE1-CG1 4.43Å; Y229-V277 PolarHBondContact OH-N 2.98Å; L273-V277 HydrophobicContact CD1-CG1 3.56Å; L273-V277 HydrophobicContact CG-CG1 3.97Å; L273-V277 WeakPolarHBondContact O-CG1 3.32Å; L273-V277 WeakPolarHBondContact O-CG2 3.35Å; L273-V277 PolarHBondContact O-N 3.24Å; V277-Y279 VanDerWaalsContact C-N 3.27Å; V277-Y279 PolarHBondContact O-N 3.08Å; V277-R294 WeakPolarHBondContact O-CA 3.38Å; V277-A296 HydrophobicContact CG2-CB 4.07Å; V277-A299 HydrophobicContact CG1-CB 3.93Å
278L95.3Very high96.3Very high68 Ų6855 Ų5536%0.35627%0.267SS..THydrogen-bonded Turntrans-65.5-30.7174.9-60.6178.5000112.5E275 K276 R294E275-L278 WeakPolarHBondContact O-CB 3.47Å; K276-L278 PolarHBondContact O-N 3.1Å; L278-R294 HydrophobicContact CD2-CB 4.12Å; L278-R294 WeakPolarHBondContact O-CD 3.39Å; L278-R294 PolarHBondContact O-NE 3.11Å
279Y93.9Very high96.3Very high179 Ų17955.7 Ų55.770%0.70227%0.27SS*.THydrogen-bonded Turntrans-125.3-18.8-171.6-50.8-78000114.1K276 V277K276-Y279 PolarHBondContact O-N 3.24Å; V277-Y279 VanDerWaalsContact C-N 3.27Å; V277-Y279 PolarHBondContact O-N 3.08Å
280S95.1Very high96.1Very high7 Ų762.2 Ų62.25%0.04931%0.306CS..SBendtrans-124.6104-178.41770000108.5Y229 D230 K276Y229-S280 WeakPolarHBondContact OH-CB 3.36Å; Y229-S280 PolarHBondContact OH-O 2.82Å; D230-S280 WeakPolarHBondContact CB-OG 3.47Å; D230-S280 WeakPolarHBondContact OD2-CB 3.27Å; D230-S280 PolarHBondContact OD2-OG 3.11Å; K276-S280 WeakPolarHBondContact O-CB 3.41Å; K276-S280 PolarHBondContact O-N 2.99Å
281H94.4Very high96Very high35 Ų3560.9 Ų60.916%0.16231%0.307CS..  trans-81132.7-170.2-59.4-53.6000111.5V283 D284H281-V283 HydrophobicContact CB-CG1 4.28Å; H281-V283 PolarHBondContact O-N 2.94Å; H281-D284 WeakPolarHBondContact O-CB 3.42Å; H281-D284 PolarHBondContact O-N 3.11Å; H281-D284 VanDerWaalsContact O-N 3.13Å
282L96.2Very high95.9Very high6 Ų661.6 Ų61.63%0.03132%0.315CS..G310 helixtrans-60.4-34.7-174.8-167.462.3000113Y229 D284 Y285 F286 Y289 A299 F302 I303Y229-L282 HydrophobicContact CD2-CD1 3.44Å; Y229-L282 VanDerWaalsContact CD2-CD1 3.44Å; Y229-L282 HydrophobicContact CE2-CD1 4.12Å; Y229-L282 HydrophobicContact CG-CD1 3.68Å; L282-D284 PolarHBondContact O-N 3.47Å; L282-Y285 PolarHBondContact O-N 3.06Å; L282-Y285 VanDerWaalsContact O-N 3.09Å; L282-F286 HydrophobicContact CD1-CD2 3.84Å; L282-F286 HydrophobicContact CD1-CE2 4.47Å; L282-F286 HydrophobicContact CG-CD2 4.42Å; L282-F286 PolarHBondContact O-N 3.13Å; L282-Y289 HydrophobicContact CB-CD1 3.98Å; L282-Y289 HydrophobicContact CB-CE1 4.26Å; L282-Y289 HydrophobicContact CB-CG 4.19Å; L282-Y289 HydrophobicContact CD2-CD1 4.46Å; L282-Y289 HydrophobicContact CD2-CD2 3.74Å; L282-Y289 HydrophobicContact CD2-CE2 3.98Å; L282-Y289 HydrophobicContact CD2-CG 3.97Å; L282-Y289 HydrophobicContact CG-CD2 4.5Å; L282-Y289 HydrophobicContact CG-CG 4.24Å; L282-A299 HydrophobicContact CD2-CB 3.95Å; L282-F302 HydrophobicContact CD2-CB 4.39Å; L282-F302 HydrophobicContact CD2-CD1 3.56Å; L282-F302 HydrophobicContact CD2-CE1 4.18Å; L282-F302 HydrophobicContact CD2-CG 4.28Å; L282-F302 HydrophobicContact CG-CD1 4.37Å; L282-I303 HydrophobicContact CD1-CD1 4.43Å; L282-I303 HydrophobicContact CD2-CG1 4.44Å
283V96.5Very high95.7Very high51 Ų5166 Ų6631%0.30934%0.335SS..G310 helixtrans-60.5-26.117969.60000113.7H281 Y285 F286 P287 Y289H281-V283 HydrophobicContact CB-CG1 4.28Å; H281-V283 PolarHBondContact O-N 2.94Å; V283-Y285 PolarHBondContact O-N 3.32Å; V283-F286 WeakPolarHBondContact CA-O 3.23Å; V283-F286 CarbonylContact O-C 3.46Å; V283-P287 WeakPolarHBondContact O-CA 3.12Å; V283-Y289 HydrophobicContact CB-CD1 4.22Å
284D95.5Very high95.6Very high112 Ų11273.7 Ų73.760%0.59936%0.364SS*.G310 helixtrans-70.5-20.6179.3-61.3-28.9000112H281 L282H281-D284 WeakPolarHBondContact O-CB 3.42Å; H281-D284 PolarHBondContact O-N 3.11Å; H281-D284 VanDerWaalsContact O-N 3.13Å; L282-D284 PolarHBondContact O-N 3.47Å
285Y96.1Very high95.6Very high84 Ų8471 Ų7133%0.32935%0.353SS..THydrogen-bonded Turntrans-112.9-29.3-178.6-59.3-86.1000112.5Y229 D230 L282 V283Y229-Y285 HydrophobicContact CD2-CD2 4.11Å; Y229-Y285 HydrophobicContact CE2-CD2 4.24Å; Y229-Y285 WeakPolarHBondContact O-CB 3.31Å; D230-Y285 HydrophobicContact CB-CD1 4.19Å; D230-Y285 HydrophobicContact CB-CD2 3.82Å; D230-Y285 HydrophobicContact CB-CE1 3.75Å; D230-Y285 HydrophobicContact CB-CE2 3.36Å; D230-Y285 HydrophobicContact CB-CG 4.22Å; L282-Y285 PolarHBondContact O-N 3.06Å; L282-Y285 VanDerWaalsContact O-N 3.09Å; V283-Y285 PolarHBondContact O-N 3.32Å
286F97.1Very high95.6Very high1 Ų168.5 Ų68.50%0.00434%0.344CS..  trans-129.685178.1-65.8-86000109M242 E243 K246 L282 V283 E288 Y289 F302 M306M242-F286 HydrophobicContact CB-CE2 4.26Å; M242-F286 HydrophobicContact CB-CZ 3.79Å; M242-F286 HydrophobicContact CG-CE1 4.47Å; M242-F286 HydrophobicContact CG-CE2 4.19Å; M242-F286 HydrophobicContact CG-CZ 3.63Å; E243-F286 HydrophobicContact CG-CE1 4.16Å; E243-F286 HydrophobicContact CG-CZ 4.37Å; E243-F286 VanDerWaalsContact OE1-CE1 3.25Å; E243-F286 WeakPolarHBondContact OE1-CE1 3.1Å; K246-F286 HydrophobicContact CD-CE1 4.37Å; L282-F286 HydrophobicContact CD1-CD2 3.84Å; L282-F286 HydrophobicContact CD1-CE2 4.47Å; L282-F286 HydrophobicContact CG-CD2 4.42Å; L282-F286 PolarHBondContact O-N 3.13Å; V283-F286 WeakPolarHBondContact CA-O 3.23Å; V283-F286 CarbonylContact O-C 3.46Å; F286-E288 PolarHBondContact O-N 3.16Å; F286-Y289 VanDerWaalsContact O-CB 3.29Å; F286-Y289 WeakPolarHBondContact O-CB 3.01Å; F286-Y289 PolarHBondContact O-N 3.49Å; F286-F302 HydrophobicContact CB-CE1 3.69Å; F286-F302 HydrophobicContact CB-CZ 3.96Å; F286-F302 HydrophobicContact CD1-CE1 4.45Å; F286-F302 HydrophobicContact CG-CE1 4.09Å; F286-M306 HydrophobicContact CD1-CE 3.97Å; F286-M306 HydrophobicContact CD1-SD 3.51Å; F286-M306 VanDerWaalsContact CD1-SD 3.51Å; F286-M306 HydrophobicContact CE1-CE 3.94Å; F286-M306 HydrophobicContact CE1-SD 3.74Å; F286-M306 HydrophobicContact CG-CE 4.31Å; F286-M306 HydrophobicContact CG-SD 4.24Å; F286-M306 HydrophobicContact CZ-CE 4.31Å
287P96.7Very high95.7Very high98 Ų9873.4 Ų73.464%0.63637%0.368SS*.THydrogen-bonded Turntrans-59.3-17.1-175.2-25.836000114.8V283 Y289V283-P287 WeakPolarHBondContact O-CA 3.12Å; P287-Y289 PolarHBondContact O-N 2.98Å
288E96Very high95.8Very high137 Ų13774.3 Ų74.364%0.6438%0.375SS*.THydrogen-bonded Turntrans-73.6-10.6174.5-5679.6-174.700113.3F286 D290 F302F286-E288 PolarHBondContact O-N 3.16Å; E288-D290 PolarHBondContact O-N 3.07Å; E288-F302 HydrophobicContact CB-CE2 4.35Å; E288-F302 HydrophobicContact CB-CZ 4.28Å
289Y97.2Very high95.9Very high19 Ų1971.1 Ų71.18%0.07536%0.359CS..  trans-71.9115.3176179.4-107.6000111.3L282 V283 F286 P287 G291 P292 A298 F302L282-Y289 HydrophobicContact CB-CD1 3.98Å; L282-Y289 HydrophobicContact CB-CE1 4.26Å; L282-Y289 HydrophobicContact CB-CG 4.19Å; L282-Y289 HydrophobicContact CD2-CD1 4.46Å; L282-Y289 HydrophobicContact CD2-CD2 3.74Å; L282-Y289 HydrophobicContact CD2-CE2 3.98Å; L282-Y289 HydrophobicContact CD2-CG 3.97Å; L282-Y289 HydrophobicContact CG-CD2 4.5Å; L282-Y289 HydrophobicContact CG-CG 4.24Å; V283-Y289 HydrophobicContact CB-CD1 4.22Å; F286-Y289 VanDerWaalsContact O-CB 3.29Å; F286-Y289 WeakPolarHBondContact O-CB 3.01Å; F286-Y289 PolarHBondContact O-N 3.49Å; P287-Y289 PolarHBondContact O-N 2.98Å; Y289-G291 WeakPolarHBondContact CE1-O 3.07Å; Y289-G291 VanDerWaalsContact CZ-CA 3.44Å; Y289-P292 PolarHBondContact OH-O 3.07Å; Y289-A298 VanDerWaalsContact OH-CB 3.31Å; Y289-A298 WeakPolarHBondContact OH-CB 3.47Å; Y289-F302 HydrophobicContact CD2-CB 3.64Å; Y289-F302 AromaticContact CD2-CD1 3.94Å; Y289-F302 HydrophobicContact CD2-CD1 3.94Å; Y289-F302 AromaticContact CD2-CD2 3.73Å; Y289-F302 HydrophobicContact CD2-CD2 3.73Å; Y289-F302 HydrophobicContact CD2-CE1 4.49Å; Y289-F302 HydrophobicContact CD2-CE2 4.34Å; Y289-F302 AromaticContact CD2-CG 3.49Å; Y289-F302 HydrophobicContact CD2-CG 3.49Å; Y289-F302 VanDerWaalsContact CD2-CG 3.49Å; Y289-F302 HydrophobicContact CE2-CB 3.86Å; Y289-F302 HydrophobicContact CE2-CG 4.24Å; Y289-F302 HydrophobicContact CG-CG 4.42Å
290D95.1Very high96.1Very high157 Ų15765.1 Ų65.184%0.8434%0.335SS*.  trans-107.75.2179.264.2-14.4000113.7E288E288-D290 PolarHBondContact O-N 3.07Å
291G94.2Very high96.2Very high26 Ų2668.6 Ų68.627%0.26835%0.353SS..SBendtrans-77170179.700000114.2Y289Y289-G291 WeakPolarHBondContact CE1-O 3.07Å; Y289-G291 VanDerWaalsContact CZ-CA 3.44Å
292P95.5Very high96.4Very high74 Ų7468.3 Ų68.348%0.48135%0.351SS..PPolyproline II helixtrans-61.8148.4177.624-32.1000112.5Y289 D295 A298Y289-P292 PolarHBondContact OH-O 3.07Å; P292-D295 HydrophobicContact CB-CB 4.21Å; P292-D295 HydrophobicContact CG-CB 3.69Å; P292-A298 HydrophobicContact CG-CB 3.99Å
293Q93.9Very high96.5Very high124 Ų12468 Ų6858%0.57935%0.35SS*.THydrogen-bonded Turntrans-71.9149.8170.7-68.5-175.7-7.200110.7D295Q293-D295 PolarHBondContact O-N 3.39Å
294R94.6Very high96.6Very high161 Ų16167.1 Ų67.161%0.60834%0.343SS*.THydrogen-bonded Turntrans60.923.6177.1-51.1-173.8171.4156.14.9114.4V277 L278V277-R294 WeakPolarHBondContact O-CA 3.38Å; L278-R294 HydrophobicContact CD2-CB 4.12Å; L278-R294 WeakPolarHBondContact O-CD 3.39Å; L278-R294 PolarHBondContact O-NE 3.11Å
295D96.3Very high96.7Very high60 Ų6067.4 Ų67.432%0.32134%0.339SS..  trans-109.6109.5176.3-170.8-35.7000109.7P292 Q293 E297 A298 A299P292-D295 HydrophobicContact CB-CB 4.21Å; P292-D295 HydrophobicContact CG-CB 3.69Å; Q293-D295 PolarHBondContact O-N 3.39Å; D295-E297 VanDerWaalsContact C-N 3.33Å; D295-E297 WeakPolarHBondContact OD1-CA 3.35Å; D295-E297 WeakPolarHBondContact OD1-CB 3.29Å; D295-E297 PolarHBondContact OD1-N 2.84Å; D295-A298 HydrophobicContact CB-CB 4Å; D295-A298 PolarHBondContact OD1-N 3.07Å; D295-A299 WeakPolarHBondContact O-CB 3.45Å; D295-A299 PolarHBondContact O-N 3.37Å; D295-A299 VanDerWaalsContact O-N 3.13Å
296A96.5Very high96.8Very high17 Ų1764.2 Ų64.214%0.1433%0.328CS..Hα-helixtrans-72.3-26-178.900000112.8E274 V277 R300E274-A296 HydrophobicContact CB-CB 3.98Å; E274-A296 HydrophobicContact CG-CB 3.94Å; V277-A296 HydrophobicContact CG2-CB 4.07Å; A296-R300 WeakPolarHBondContact O-CB 3.11Å; A296-R300 WeakPolarHBondContact O-CG 3.3Å; A296-R300 PolarHBondContact O-N 2.9Å; A296-R300 VanDerWaalsContact O-N 3.11Å; A296-R300 PolarHBondContact O-NE 2.86Å
297E97.5Very high96.8Very high121 Ų12164.2 Ų64.257%0.56533%0.327SS*.Hα-helixtrans-74.3-50.5177.9-170168.9-171.900110.1D295 A299 R300 D301D295-E297 VanDerWaalsContact C-N 3.33Å; D295-E297 WeakPolarHBondContact OD1-CA 3.35Å; D295-E297 WeakPolarHBondContact OD1-CB 3.29Å; D295-E297 PolarHBondContact OD1-N 2.84Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.22Å; E297-R300 WeakPolarHBondContact O-CB 3.33Å; E297-R300 PolarHBondContact O-N 3.36Å; E297-R300 VanDerWaalsContact O-N 3.11Å; E297-D301 PolarHBondContact O-N 3.43Å
298A97.7Very high96.8Very high23 Ų2362.5 Ų62.519%0.1932%0.315CS..Hα-helixtrans-58.8-40.8175.700000112.3Y289 P292 D295 D301 F302Y289-A298 VanDerWaalsContact OH-CB 3.31Å; Y289-A298 WeakPolarHBondContact OH-CB 3.47Å; P292-A298 HydrophobicContact CG-CB 3.99Å; D295-A298 HydrophobicContact CB-CB 4Å; D295-A298 PolarHBondContact OD1-N 3.07Å; A298-D301 PolarHBondContact O-N 2.54Å; A298-F302 WeakPolarHBondContact O-CB 3.48Å; A298-F302 PolarHBondContact O-N 2.69Å
299A98Very high96.8Very high1 Ų162.3 Ų62.31%0.00831%0.314CS..Hα-helixtrans-63.1-42.9175.500000112.6L273 V277 L282 D295 E297 I303L273-A299 HydrophobicContact CD2-CB 4.37Å; V277-A299 HydrophobicContact CG1-CB 3.93Å; L282-A299 HydrophobicContact CD2-CB 3.95Å; D295-A299 WeakPolarHBondContact O-CB 3.45Å; D295-A299 PolarHBondContact O-N 3.37Å; D295-A299 VanDerWaalsContact O-N 3.13Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.22Å; A299-I303 VanDerWaalsContact O-CG1 3.32Å; A299-I303 WeakPolarHBondContact O-CG1 3.32Å; A299-I303 PolarHBondContact O-N 2.95Å
300R97.9Very high96.8Very high53 Ų5363.1 Ų63.120%0.232%0.32CS..Hα-helixtrans-63.4-44.5177-82.9-175.8-55.6-179.510.3112.1L226 L273 A296 E297 I303 L304 F322L226-R300 HydrophobicContact CD1-CG 4Å; L273-R300 HydrophobicContact CD2-CB 4.41Å; L273-R300 HydrophobicContact CD2-CG 3.36Å; A296-R300 WeakPolarHBondContact O-CB 3.11Å; A296-R300 WeakPolarHBondContact O-CG 3.3Å; A296-R300 PolarHBondContact O-N 2.9Å; A296-R300 VanDerWaalsContact O-N 3.11Å; A296-R300 PolarHBondContact O-NE 2.86Å; E297-R300 WeakPolarHBondContact O-CB 3.33Å; E297-R300 PolarHBondContact O-N 3.36Å; E297-R300 VanDerWaalsContact O-N 3.11Å; R300-I303 PolarHBondContact O-N 2.73Å; R300-L304 WeakPolarHBondContact O-CB 3.29Å; R300-L304 PolarHBondContact O-N 2.8Å; R300-F322 HydrophobicContact CB-CD1 4.24Å; R300-F322 HydrophobicContact CB-CE1 3.55Å; R300-F322 HydrophobicContact CB-CZ 3.73Å; R300-F322 HydrophobicContact CG-CD1 4.13Å; R300-F322 HydrophobicContact CG-CE1 3.89Å; R300-F322 HydrophobicContact CG-CZ 4.49Å
301D97.9Very high96.7Very high81 Ų8157.2 Ų57.243%0.43329%0.288SS..Hα-helixtrans-67.6-39-178.7-72.4-12.9000111.5E297 A298 L304 K305E297-D301 PolarHBondContact O-N 3.43Å; A298-D301 PolarHBondContact O-N 2.54Å; D301-L304 PolarHBondContact O-N 2.66Å; D301-K305 WeakPolarHBondContact O-CB 3.35Å; D301-K305 PolarHBondContact O-N 2.78Å
302F98.3Very high96.6Very high28 Ų2860.2 Ų60.212%0.12330%0.303CS..Hα-helixtrans-60.6-48.2171.9175.7-97.9000111.9L282 F286 E288 Y289 A298 L304 K305 M306L282-F302 HydrophobicContact CD2-CB 4.39Å; L282-F302 HydrophobicContact CD2-CD1 3.56Å; L282-F302 HydrophobicContact CD2-CE1 4.18Å; L282-F302 HydrophobicContact CD2-CG 4.28Å; L282-F302 HydrophobicContact CG-CD1 4.37Å; F286-F302 HydrophobicContact CB-CE1 3.69Å; F286-F302 HydrophobicContact CB-CZ 3.96Å; F286-F302 HydrophobicContact CD1-CE1 4.45Å; F286-F302 HydrophobicContact CG-CE1 4.09Å; E288-F302 HydrophobicContact CB-CE2 4.35Å; E288-F302 HydrophobicContact CB-CZ 4.28Å; Y289-F302 HydrophobicContact CD2-CB 3.64Å; Y289-F302 AromaticContact CD2-CD1 3.94Å; Y289-F302 HydrophobicContact CD2-CD1 3.94Å; Y289-F302 AromaticContact CD2-CD2 3.73Å; Y289-F302 HydrophobicContact CD2-CD2 3.73Å; Y289-F302 HydrophobicContact CD2-CE1 4.49Å; Y289-F302 HydrophobicContact CD2-CE2 4.34Å; Y289-F302 AromaticContact CD2-CG 3.49Å; Y289-F302 HydrophobicContact CD2-CG 3.49Å; Y289-F302 VanDerWaalsContact CD2-CG 3.49Å; Y289-F302 HydrophobicContact CE2-CB 3.86Å; Y289-F302 HydrophobicContact CE2-CG 4.24Å; Y289-F302 HydrophobicContact CG-CG 4.42Å; A298-F302 WeakPolarHBondContact O-CB 3.48Å; A298-F302 PolarHBondContact O-N 2.69Å; F302-L304 PolarHBondContact O-N 3.45Å; F302-K305 WeakPolarHBondContact O-CB 3.44Å; F302-K305 PolarHBondContact O-N 3.38Å; F302-M306 HydrophobicContact CD1-CE 3.8Å; F302-M306 HydrophobicContact CD1-CG 4.21Å; F302-M306 HydrophobicContact CD1-SD 4.17Å; F302-M306 HydrophobicContact CE1-CE 3.53Å; F302-M306 HydrophobicContact CE1-CG 3.85Å; F302-M306 HydrophobicContact CE1-SD 3.44Å; F302-M306 WeakPolarHBondContact CE1-SD 3.12Å; F302-M306 HydrophobicContact CZ-CE 4.5Å; F302-M306 HydrophobicContact CZ-CG 4.01Å; F302-M306 HydrophobicContact CZ-SD 3.85Å; F302-M306 WeakPolarHBondContact O-CG 3.5Å; F302-M306 PolarHBondContact O-N 2.88Å
303I98.4Very high96.4Very high0 Ų060 Ų600%030%0.297CS..Hα-helixtrans-64-42.8178.5-63.7164.3000110.7L226 M242 L267 L273 L282 A299 R300 K305 M306 F307L226-I303 HydrophobicContact CD2-CB 4.02Å; L226-I303 HydrophobicContact CD2-CD1 3.85Å; L226-I303 HydrophobicContact CD2-CG2 3.72Å; M242-I303 HydrophobicContact CE-CD1 4.25Å; M242-I303 HydrophobicContact CE-CG2 4.09Å; M242-I303 HydrophobicContact SD-CG2 4.1Å; L267-I303 HydrophobicContact CD2-CG2 3.9Å; L273-I303 HydrophobicContact CD1-CD1 4.33Å; L273-I303 HydrophobicContact CD2-CD1 4.39Å; L282-I303 HydrophobicContact CD1-CD1 4.43Å; L282-I303 HydrophobicContact CD2-CG1 4.44Å; A299-I303 VanDerWaalsContact O-CG1 3.32Å; A299-I303 WeakPolarHBondContact O-CG1 3.32Å; A299-I303 PolarHBondContact O-N 2.95Å; R300-I303 PolarHBondContact O-N 2.73Å; I303-K305 VanDerWaalsContact C-N 3.32Å; I303-K305 PolarHBondContact O-N 2.82Å; I303-M306 HydrophobicContact CB-CE 4.06Å; I303-M306 HydrophobicContact CG1-CE 3.69Å; I303-M306 HydrophobicContact CG2-CE 4.19Å; I303-M306 WeakPolarHBondContact O-CB 3.39Å; I303-M306 PolarHBondContact O-N 2.86Å; I303-F307 HydrophobicContact CG2-CD2 4.06Å; I303-F307 HydrophobicContact CG2-CE2 3.98Å; I303-F307 WeakPolarHBondContact O-CD2 3.48Å; I303-F307 PolarHBondContact O-N 3.09Å
304L98.3Very high96Very high32 Ų3260 Ų6017%0.16831%0.308CS..Hα-helixtrans-55.3-49.4174.1168.459.9000111.1L265 L267 R300 D301 F302 M306 F307 V308 S320 F322L265-L304 HydrophobicContact CD2-CD1 4.26Å; L267-L304 HydrophobicContact CD1-CB 4.02Å; L267-L304 HydrophobicContact CD1-CD1 3.62Å; L267-L304 HydrophobicContact CD1-CG 4.32Å; R300-L304 WeakPolarHBondContact O-CB 3.29Å; R300-L304 PolarHBondContact O-N 2.8Å; D301-L304 PolarHBondContact O-N 2.66Å; F302-L304 PolarHBondContact O-N 3.45Å; L304-M306 VanDerWaalsContact C-N 3.34Å; L304-M306 PolarHBondContact O-N 3.47Å; L304-F307 PolarHBondContact O-N 3.16Å; L304-F307 VanDerWaalsContact O-N 3.12Å; L304-V308 HydrophobicContact CD1-CG2 3.66Å; L304-V308 HydrophobicContact CG-CG2 4.33Å; L304-V308 WeakPolarHBondContact O-CG2 3.46Å; L304-V308 PolarHBondContact O-N 2.92Å; L304-S320 WeakPolarHBondContact CD1-OG 3.35Å; L304-F322 HydrophobicContact CB-CZ 4.03Å; L304-F322 HydrophobicContact CD2-CE2 4.32Å; L304-F322 HydrophobicContact CD2-CZ 4.04Å
305K97.7Very high95.7Very high118 Ų11860.6 Ų60.651%0.51332%0.318SS..Hα-helixtrans-57-46.5177.4-179-179.3173.3-173.60111.4D301 F302 I303 F307 V308 E309D301-K305 WeakPolarHBondContact O-CB 3.35Å; D301-K305 PolarHBondContact O-N 2.78Å; F302-K305 WeakPolarHBondContact O-CB 3.44Å; F302-K305 PolarHBondContact O-N 3.38Å; I303-K305 VanDerWaalsContact C-N 3.32Å; I303-K305 PolarHBondContact O-N 2.82Å; K305-F307 PolarHBondContact O-N 3.32Å; K305-V308 PolarHBondContact O-N 3.44Å; K305-E309 WeakPolarHBondContact CE-OE1 3.29Å; K305-E309 HydrophobicContact CG-CG 4.13Å; K305-E309 IonicContact NZ-OE1 2.76Å; K305-E309 WeakPolarHBondContact O-CB 3.37Å; K305-E309 WeakPolarHBondContact O-CG 3.31Å; K305-E309 PolarHBondContact O-N 3.02Å
306M97.6Very high95.4Very high18 Ų1859 Ų599%0.08931%0.308CS..Hα-helixtrans-54.6-36.4176.8-74.3-162.5-69.700113.2K246 F286 F302 I303 L304 L310K246-M306 HydrophobicContact CD-CB 4.49Å; K246-M306 HydrophobicContact CD-SD 4.14Å; F286-M306 HydrophobicContact CD1-CE 3.97Å; F286-M306 HydrophobicContact CD1-SD 3.51Å; F286-M306 VanDerWaalsContact CD1-SD 3.51Å; F286-M306 HydrophobicContact CE1-CE 3.94Å; F286-M306 HydrophobicContact CE1-SD 3.74Å; F286-M306 HydrophobicContact CG-CE 4.31Å; F286-M306 HydrophobicContact CG-SD 4.24Å; F286-M306 HydrophobicContact CZ-CE 4.31Å; F302-M306 HydrophobicContact CD1-CE 3.8Å; F302-M306 HydrophobicContact CD1-CG 4.21Å; F302-M306 HydrophobicContact CD1-SD 4.17Å; F302-M306 HydrophobicContact CE1-CE 3.53Å; F302-M306 HydrophobicContact CE1-CG 3.85Å; F302-M306 HydrophobicContact CE1-SD 3.44Å; F302-M306 WeakPolarHBondContact CE1-SD 3.12Å; F302-M306 HydrophobicContact CZ-CE 4.5Å; F302-M306 HydrophobicContact CZ-CG 4.01Å; F302-M306 HydrophobicContact CZ-SD 3.85Å; F302-M306 WeakPolarHBondContact O-CG 3.5Å; F302-M306 PolarHBondContact O-N 2.88Å; I303-M306 HydrophobicContact CB-CE 4.06Å; I303-M306 HydrophobicContact CG1-CE 3.69Å; I303-M306 HydrophobicContact CG2-CE 4.19Å; I303-M306 WeakPolarHBondContact O-CB 3.39Å; I303-M306 PolarHBondContact O-N 2.86Å; L304-M306 VanDerWaalsContact C-N 3.34Å; L304-M306 PolarHBondContact O-N 3.47Å; M306-L310 WeakPolarHBondContact O-CG 3.38Å
307F98.1Very high95.1Very high0 Ų063 Ų630%033%0.326CS..Hα-helixtrans-81.8-40.6178.7-82.8-99.3000112.6F222 V224 M242 K246 F249 L265 I303 L304 K305 E309 L310F222-F307 HydrophobicContact CE1-CE1 4.35Å; V224-F307 HydrophobicContact CB-CE1 4.46Å; V224-F307 HydrophobicContact CB-CZ 4.22Å; V224-F307 HydrophobicContact CG1-CE1 4.26Å; V224-F307 HydrophobicContact CG1-CE2 3.76Å; V224-F307 HydrophobicContact CG1-CZ 3.55Å; V224-F307 HydrophobicContact CG2-CD1 3.84Å; V224-F307 HydrophobicContact CG2-CE1 3.35Å; V224-F307 HydrophobicContact CG2-CE2 4.19Å; V224-F307 HydrophobicContact CG2-CG 4.45Å; V224-F307 HydrophobicContact CG2-CZ 3.56Å; M242-F307 HydrophobicContact SD-CE2 3.57Å; M242-F307 VanDerWaalsContact SD-CE2 3.57Å; M242-F307 HydrophobicContact SD-CZ 3.86Å; K246-F307 HydrophobicContact CB-CZ 4.38Å; K246-F307 HydrophobicContact CG-CD2 4.24Å; K246-F307 HydrophobicContact CG-CE1 4.16Å; K246-F307 HydrophobicContact CG-CE2 3.65Å; K246-F307 HydrophobicContact CG-CZ 3.59Å; F249-F307 HydrophobicContact CB-CD1 3.85Å; F249-F307 HydrophobicContact CB-CE1 3.81Å; F249-F307 HydrophobicContact CD1-CB 4.39Å; F249-F307 AromaticContact CD1-CD1 3.62Å; F249-F307 HydrophobicContact CD1-CD1 3.62Å; F249-F307 HydrophobicContact CD1-CE1 4.44Å; F249-F307 HydrophobicContact CD1-CG 4.46Å; F249-F307 HydrophobicContact CD2-CD1 4.5Å; F249-F307 HydrophobicContact CE1-CB 4.34Å; F249-F307 HydrophobicContact CE1-CD1 4.26Å; F249-F307 WeakPolarHBondContact CE1-O 3.42Å; F249-F307 AromaticContact CG-CD1 3.74Å; F249-F307 HydrophobicContact CG-CD1 3.74Å; F249-F307 HydrophobicContact CG-CE1 4.19Å; L265-F307 HydrophobicContact CD1-CD1 4.15Å; L265-F307 HydrophobicContact CD2-CB 3.62Å; L265-F307 HydrophobicContact CD2-CG 4.28Å; I303-F307 HydrophobicContact CG2-CD2 4.06Å; I303-F307 HydrophobicContact CG2-CE2 3.98Å; I303-F307 WeakPolarHBondContact O-CD2 3.48Å; I303-F307 PolarHBondContact O-N 3.09Å; L304-F307 PolarHBondContact O-N 3.16Å; L304-F307 VanDerWaalsContact O-N 3.12Å; K305-F307 PolarHBondContact O-N 3.32Å; F307-E309 VanDerWaalsContact C-N 3.31Å; F307-E309 PolarHBondContact O-N 3.22Å; F307-L310 WeakPolarHBondContact O-CB 3.43Å; F307-L310 PolarHBondContact O-N 2.94Å
308V96.7Very high95Very high62 Ų6258.2 Ų58.238%0.37630%0.304SS..Hα-helixtrans-64-38.2179.2172.50000111L304 K305 L310 N311L304-V308 HydrophobicContact CD1-CG2 3.66Å; L304-V308 HydrophobicContact CG-CG2 4.33Å; L304-V308 WeakPolarHBondContact O-CG2 3.46Å; L304-V308 PolarHBondContact O-N 2.92Å; K305-V308 PolarHBondContact O-N 3.44Å; V308-L310 PolarHBondContact O-N 3.33Å; V308-N311 VanDerWaalsContact O-CB 3.22Å; V308-N311 WeakPolarHBondContact O-CB 3.43Å; V308-N311 PolarHBondContact O-N 3.43Å; V308-N311 VanDerWaalsContact O-N 3.14Å
309E95.8Very high94.9Very high134 Ų13460 Ų6063%0.62631%0.306SS*.THydrogen-bonded Turntrans-69-12.5177.8-71.7-179.8160.800114.1K305 F307 N311K305-E309 WeakPolarHBondContact CE-OE1 3.29Å; K305-E309 HydrophobicContact CG-CG 4.13Å; K305-E309 IonicContact NZ-OE1 2.76Å; K305-E309 WeakPolarHBondContact O-CB 3.37Å; K305-E309 WeakPolarHBondContact O-CG 3.31Å; K305-E309 PolarHBondContact O-N 3.02Å; F307-E309 VanDerWaalsContact C-N 3.31Å; F307-E309 PolarHBondContact O-N 3.22Å; E309-N311 PolarHBondContact O-N 2.54Å
310L96.2Very high94.9Very high36 Ų3662 Ų6219%0.18832%0.321CS..THydrogen-bonded Turntrans-73.6-15.3172.6-64.5171.6000112.6K246 F249 R250 I253 M306 F307 V308 P312K246-L310 HydrophobicContact CB-CD1 3.93Å; K246-L310 HydrophobicContact CG-CD1 4.23Å; K246-L310 WeakPolarHBondContact O-CD1 3.25Å; F249-L310 HydrophobicContact CD1-CB 4.36Å; F249-L310 HydrophobicContact CD1-CD1 4.02Å; R250-L310 HydrophobicContact CB-CB 4.41Å; R250-L310 HydrophobicContact CB-CD1 4.4Å; R250-L310 HydrophobicContact CB-CD2 4.46Å; I253-L310 HydrophobicContact CD1-CB 4.3Å; M306-L310 WeakPolarHBondContact O-CG 3.38Å; F307-L310 WeakPolarHBondContact O-CB 3.43Å; F307-L310 PolarHBondContact O-N 2.94Å; V308-L310 PolarHBondContact O-N 3.33Å; L310-P312 VanDerWaalsContact O-CD 3.25Å; L310-P312 WeakPolarHBondContact O-CD 3.39Å
311N94.2Very high94.9Very high32 Ų3261.3 Ų61.317%0.17132%0.32CS..  trans-71.7113.4-177.9-171.915.8000111.5I253 V308 E309 D313 K316 I318I253-N311 HydrophobicContact CD1-CB 4.35Å; V308-N311 VanDerWaalsContact O-CB 3.22Å; V308-N311 WeakPolarHBondContact O-CB 3.43Å; V308-N311 PolarHBondContact O-N 3.43Å; V308-N311 VanDerWaalsContact O-N 3.14Å; E309-N311 PolarHBondContact O-N 2.54Å; N311-D313 VanDerWaalsContact C-N 3.27Å; N311-D313 VanDerWaalsContact CG-O 3.3Å; N311-D313 PolarHBondContact ND2-O 2.67Å; N311-D313 PolarHBondContact O-N 2.97Å; N311-D313 PolarHBondContact OD1-N 2.9Å; N311-D313 PolarHBondContact OD1-O 3.06Å; N311-K316 PolarHBondContact ND2-O 3.32Å; N311-I318 HydrophobicContact CB-CD1 3.66Å
312P91.1Very high94.9Very high89 Ų8959.8 Ų59.858%0.57831%0.309SS*.SBendtrans-76.9-15.917834-36.8000112.9T254 L310T254-P312 HydrophobicContact CG2-CG 3.8Å; L310-P312 VanDerWaalsContact O-CD 3.25Å; L310-P312 WeakPolarHBondContact O-CD 3.39Å
313D91.6Very high94.9Very high69 Ų6958.5 Ų58.537%0.36930%0.304SS..  trans-108.6103.3-175.1-179.1-0.4000110.8N311 E315 K316N311-D313 VanDerWaalsContact C-N 3.27Å; N311-D313 VanDerWaalsContact CG-O 3.3Å; N311-D313 PolarHBondContact ND2-O 2.67Å; N311-D313 PolarHBondContact O-N 2.97Å; N311-D313 PolarHBondContact OD1-N 2.9Å; N311-D313 PolarHBondContact OD1-O 3.06Å; D313-E315 PolarHBondContact O-N 3.47Å; D313-E315 WeakPolarHBondContact OD1-CB 3.37Å; D313-E315 PolarHBondContact OD1-N 3.48Å; D313-K316 HydrophobicContact CB-CB 3.96Å; D313-K316 PolarHBondContact O-N 2.99Å; D313-K316 VanDerWaalsContact O-N 3.15Å
314P86.3Confident94.9Very high124 Ų12459 Ų5981%0.80531%0.307SS*.THydrogen-bonded Turntrans-67.3-17.5-178.729.3-35.4000113.6
315E88.1Confident94.8Very high174 Ų17457.8 Ų57.881%0.81330%0.301SS*.THydrogen-bonded Turntrans-80.7-24.6176.4-60.3-169.7162.800111.6D313 I317D313-E315 PolarHBondContact O-N 3.47Å; D313-E315 WeakPolarHBondContact OD1-CB 3.37Å; D313-E315 PolarHBondContact OD1-N 3.48Å; E315-I317 PolarHBondContact O-N 2.83Å
316K89.3Confident94.8Very high27 Ų2753.5 Ų53.512%0.11729%0.285CS..SBendtrans-81103.7179.1-171.4163-171.6150.40111.5F258 Q259 S261 N311 D313 I318F258-K316 PolarHBondContact O-NZ 3.19Å; Q259-K316 PolarHBondContact O-NZ 2.82Å; S261-K316 VanDerWaalsContact O-CE 3.26Å; S261-K316 WeakPolarHBondContact O-CE 3.47Å; S261-K316 PolarHBondContact O-NZ 3.04Å; S261-K316 VanDerWaalsContact O-NZ 3.07Å; N311-K316 PolarHBondContact ND2-O 3.32Å; D313-K316 HydrophobicContact CB-CB 3.96Å; D313-K316 PolarHBondContact O-N 2.99Å; D313-K316 VanDerWaalsContact O-N 3.15Å; K316-I318 PolarHBondContact O-N 3.44Å
317I91.6Very high94.8Very high101 Ų10156 Ų5652%0.51830%0.299SS..  trans-72.8129.4178.9-58.2174.4000110.5E315 Y319E315-I317 PolarHBondContact O-N 2.83Å; I317-Y319 HydrophobicContact CB-CE2 4.06Å; I317-Y319 HydrophobicContact CG2-CD1 4.19Å; I317-Y319 HydrophobicContact CG2-CD2 4.22Å; I317-Y319 HydrophobicContact CG2-CE1 3.87Å; I317-Y319 HydrophobicContact CG2-CE2 3.89Å; I317-Y319 HydrophobicContact CG2-CG 4.36Å
318I95.4Very high94.7Very high21 Ų2157.3 Ų57.311%0.10831%0.307CS..EExtended strand (participates in β ladder)trans-97.1113.7168.5-63.9168.6000108.3F249 V263 L265 N311 K316 S320F249-I318 HydrophobicContact CE1-CD1 3.96Å; F249-I318 HydrophobicContact CZ-CD1 3.83Å; F249-I318 HydrophobicContact CZ-CG1 4.46Å; F249-I318 HydrophobicContact CZ-CG2 4.33Å; V263-I318 HydrophobicContact CB-CG1 4.43Å; V263-I318 HydrophobicContact CG1-CG1 4.27Å; V263-I318 HydrophobicContact CG1-CG2 4.36Å; L265-I318 HydrophobicContact CB-CG2 3.65Å; L265-I318 HydrophobicContact CD2-CG2 4.23Å; N311-I318 HydrophobicContact CB-CD1 3.66Å; K316-I318 PolarHBondContact O-N 3.44Å; I318-S320 PolarHBondContact O-N 2.88Å
319Y95.7Very high94.8Very high59 Ų5959.7 Ų59.723%0.23131%0.314CS..EExtended strand (participates in β ladder)trans-85.8108178.5-62.5-86.6000109.9V263 I264 L265 I317 T341 L345V263-Y319 PolarHBondContact O-N 2.97Å; I264-Y319 CarbonylContact C-O 3.59Å; I264-Y319 VanDerWaalsContact CA-O 3.28Å; I264-Y319 WeakPolarHBondContact CA-O 3.41Å; L265-Y319 PolarHBondContact N-O 3.32Å; I317-Y319 HydrophobicContact CB-CE2 4.06Å; I317-Y319 HydrophobicContact CG2-CD1 4.19Å; I317-Y319 HydrophobicContact CG2-CD2 4.22Å; I317-Y319 HydrophobicContact CG2-CE1 3.87Å; I317-Y319 HydrophobicContact CG2-CE2 3.89Å; I317-Y319 HydrophobicContact CG2-CG 4.36Å; Y319-T341 HydrophobicContact CD1-CG2 3.66Å; Y319-T341 HydrophobicContact CD2-CG2 3.85Å; Y319-T341 HydrophobicContact CE1-CG2 3.58Å; Y319-T341 HydrophobicContact CE2-CG2 3.78Å; Y319-T341 HydrophobicContact CG-CG2 3.78Å; Y319-L345 HydrophobicContact CE2-CD1 3.83Å
320S97.3Very high94.9Very high45 Ų4554.3 Ų54.332%0.31529%0.29SS..EExtended strand (participates in β ladder)trans-101.1142.6-174.859.70000113.4L265 L304 I318L265-S320 CarbonylContact O-C 3.6Å; L265-S320 VanDerWaalsContact O-CA 3.28Å; L265-S320 WeakPolarHBondContact O-CA 3.22Å; L304-S320 WeakPolarHBondContact CD1-OG 3.35Å; I318-S320 PolarHBondContact O-N 2.88Å
321H98Very high94.9Very high37 Ų3752.6 Ų52.617%0.17128%0.281CS..EExtended strand (participates in β ladder)trans-141.4130.4175.6-60.9-84.7000111.4L265 F266 L267 T323 V334 V338L265-H321 PolarHBondContact O-N 2.95Å; F266-H321 WeakPolarHBondContact CA-O 3.49Å; F266-H321 HydrophobicContact CD1-CB 3.96Å; F266-H321 HydrophobicContact CE1-CB 4.13Å; L267-H321 PolarHBondContact N-O 2.89Å; H321-T323 HydrophobicContact CB-CG2 4.48Å; H321-V334 HydrophobicContact CB-CG1 3.68Å; H321-V334 HydrophobicContact CB-CG2 4.34Å; H321-V338 WeakPolarHBondContact NE2-CG2 3.34Å
322F98.1Very high95.1Very high50 Ų5055.9 Ų55.922%0.21929%0.291CS..EExtended strand (participates in β ladder)trans-79.4124.7169.5-64.5-68.4000110.8L226 L267 K270 R300 L304L226-F322 HydrophobicContact CD1-CD1 4.09Å; L267-F322 HydrophobicContact CB-CD1 3.49Å; L267-F322 VanDerWaalsContact CB-CD1 3.49Å; L267-F322 HydrophobicContact CB-CE1 3.76Å; L267-F322 HydrophobicContact CB-CG 4.49Å; L267-F322 HydrophobicContact CD1-CD1 4.09Å; L267-F322 HydrophobicContact CD1-CE1 3.7Å; L267-F322 HydrophobicContact CD1-CZ 4.2Å; L267-F322 HydrophobicContact CD2-CE1 4.41Å; L267-F322 HydrophobicContact CG-CD1 4.34Å; L267-F322 HydrophobicContact CG-CE1 4.15Å; L267-F322 CarbonylContact O-C 3.39Å; L267-F322 WeakPolarHBondContact O-CA 3.2Å; K270-F322 HydrophobicContact CD-CB 4.29Å; R300-F322 HydrophobicContact CB-CD1 4.24Å; R300-F322 HydrophobicContact CB-CE1 3.55Å; R300-F322 HydrophobicContact CB-CZ 3.73Å; R300-F322 HydrophobicContact CG-CD1 4.13Å; R300-F322 HydrophobicContact CG-CE1 3.89Å; R300-F322 HydrophobicContact CG-CZ 4.49Å; L304-F322 HydrophobicContact CB-CZ 4.03Å; L304-F322 HydrophobicContact CD2-CE2 4.32Å; L304-F322 HydrophobicContact CD2-CZ 4.04Å
323T98Very high95.3Very high1 Ų159 Ų591%0.00630%0.296CS..  trans-127.2152.7-173.151.60000113.2F266 L267 N268 K269 K270 H321 N330 I331 V334F266-T323 HydrophobicContact CD1-CG2 3.7Å; F266-T323 HydrophobicContact CE1-CG2 4.32Å; F266-T323 HydrophobicContact CG-CG2 4.47Å; L267-T323 PolarHBondContact O-N 3.16Å; N268-T323 CarbonylContact C-O 3.58Å; N268-T323 WeakPolarHBondContact CA-O 3.34Å; N268-T323 WeakPolarHBondContact CA-OG1 3.49Å; N268-T323 WeakPolarHBondContact CB-OG1 3.47Å; N268-T323 PolarHBondContact OD1-O 3.37Å; N268-T323 PolarHBondContact OD1-OG1 3.27Å; K269-T323 PolarHBondContact N-O 2.71Å; K269-T323 VanDerWaalsContact N-O 3.1Å; K270-T323 PolarHBondContact N-O 3.05Å; H321-T323 HydrophobicContact CB-CG2 4.48Å; T323-N330 WeakPolarHBondContact CA-OD1 3.02Å; T323-I331 HydrophobicContact CG2-CD1 3.96Å; T323-V334 HydrophobicContact CG2-CB 4.26Å; T323-V334 HydrophobicContact CG2-CG1 3.8Å; T323-V334 HydrophobicContact CG2-CG2 4.05Å
324C97.8Very high95.5Very high10 Ų1056 Ų567%0.06828%0.28CS..  trans-123.1103.1156.8177.70000106.8K270 D271 T326 D327 N330K270-C324 HydrophobicContact CG-CB 4.38Å; D271-C324 PolarHBondContact OD1-SG 3.25Å; C324-T326 PolarHBondContact O-N 3.46Å; C324-T326 PolarHBondContact SG-OG1 3.38Å; C324-T326 VanDerWaalsContact SG-OG1 3.36Å; C324-D327 HydrophobicContact CB-CB 4Å; C324-D327 WeakPolarHBondContact O-CB 3.24Å; C324-D327 PolarHBondContact O-N 2.8Å; C324-N330 PolarHBondContact N-OD1 3.33Å
325A96.8Very high95.9Very high6 Ų650.1 Ų50.15%0.0524%0.242CC..THydrogen-bonded Turntrans-62-15.5-175.600000114.2T48 Q52 N268T48-A325 HydrophobicContact CG2-CB 3.64Å; T48-A325 WeakPolarHBondContact CG2-O 3.49Å; Q52-A325 WeakPolarHBondContact CG-O 3.25Å; Q52-A325 PolarHBondContact NE2-O 3.14Å; N268-A325 PolarHBondContact OD1-N 2.98Å
326T96.3Very high96.1Very high28 Ų2844 Ų4417%0.17222%0.221CC..THydrogen-bonded Turntrans-88.5-11174.471.10000113.6T48 Q171 R175 C324T48-T326 HydrophobicContact CG2-CG2 4.49Å; Q171-T326 PolarHBondContact NE2-O 3.06Å; Q171-T326 VanDerWaalsContact NE2-O 3.11Å; Q171-T326 PolarHBondContact OE1-O 3.29Å; R175-T326 HydrophobicContact CG-CG2 4.14Å; R175-T326 PolarHBondContact NH2-OG1 3.23Å; C324-T326 PolarHBondContact O-N 3.46Å; C324-T326 PolarHBondContact SG-OG1 3.38Å; C324-T326 VanDerWaalsContact SG-OG1 3.36Å
327D97.8Very high96.3Very high70 Ų7044.2 Ų44.237%0.37423%0.227SC..  trans-91.8110.4173.6179.6-10.4000109.8C324 E329 N330 I331C324-D327 HydrophobicContact CB-CB 4Å; C324-D327 WeakPolarHBondContact O-CB 3.24Å; C324-D327 PolarHBondContact O-N 2.8Å; D327-E329 VanDerWaalsContact C-N 3.35Å; D327-E329 PolarHBondContact O-N 3.4Å; D327-E329 PolarHBondContact OD1-N 3.47Å; D327-N330 HydrophobicContact CB-CB 3.82Å; D327-N330 VanDerWaalsContact CG-CB 3.49Å; D327-N330 PolarHBondContact OD1-N 3.09Å; D327-N330 VanDerWaalsContact OD1-N 3.11Å; D327-N330 WeakPolarHBondContact OD2-CB 3.37Å; D327-I331 WeakPolarHBondContact O-CG1 3.28Å; D327-I331 PolarHBondContact O-N 2.88Å; D327-I331 VanDerWaalsContact O-N 3.12Å
328T97.7Very high96.4Very high29 Ų2939.4 Ų39.418%0.17820%0.202CC..Hα-helixtrans-67.6-35.9-175.1-52.40000111.7Q52 I55 I56 I331 R332Q52-T328 PolarHBondContact OE1-OG1 3.36Å; I55-T328 HydrophobicContact CG2-CG2 4.31Å; I56-T328 HydrophobicContact CD1-CG2 4.11Å; I56-T328 HydrophobicContact CG1-CG2 3.8Å; T328-I331 PolarHBondContact O-N 3.42Å; T328-R332 WeakPolarHBondContact O-CB 3.45Å; T328-R332 PolarHBondContact O-N 3.23Å
329E97.5Very high96.2Very high112 Ų11240.2 Ų40.252%0.52321%0.205SC..Hα-helixtrans-76.6-37.3-178.4-68-53.5116.600111.2D327 I331 R332 F333D327-E329 VanDerWaalsContact C-N 3.35Å; D327-E329 PolarHBondContact O-N 3.4Å; D327-E329 PolarHBondContact OD1-N 3.47Å; E329-I331 VanDerWaalsContact C-N 3.35Å; E329-I331 PolarHBondContact O-N 3.34Å; E329-R332 PolarHBondContact O-N 3.26Å; E329-R332 IonicContact OE1-CZ 2.87Å; E329-R332 IonicContact OE1-NE 3.94Å; E329-R332 PolarHBondContact OE1-NE 3.28Å; E329-R332 IonicContact OE1-NH2 2.8Å; E329-R332 PolarHBondContact OE1-NH2 3.21Å; E329-R332 IonicContact OE2-NE 3.8Å; E329-R332 PolarHBondContact OE2-NE 3.14Å; E329-F333 PolarHBondContact O-N 2.84Å
330N97.5Very high95.9Very high21 Ų2141.3 Ų41.311%0.11222%0.215CC..Hα-helixtrans-58.3-46.9170.6175.8-110000111.7T323 C324 D327 F333 V334T323-N330 WeakPolarHBondContact CA-OD1 3.02Å; C324-N330 PolarHBondContact N-OD1 3.33Å; D327-N330 HydrophobicContact CB-CB 3.82Å; D327-N330 VanDerWaalsContact CG-CB 3.49Å; D327-N330 PolarHBondContact OD1-N 3.09Å; D327-N330 VanDerWaalsContact OD1-N 3.11Å; D327-N330 WeakPolarHBondContact OD2-CB 3.37Å; N330-F333 PolarHBondContact O-N 3Å; N330-V334 WeakPolarHBondContact O-CB 3.46Å; N330-V334 VanDerWaalsContact O-CG2 3.27Å; N330-V334 WeakPolarHBondContact O-CG2 3.4Å; N330-V334 PolarHBondContact O-N 2.73Å
331I97.7Very high95.5Very high0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-68.4-37.3179.1-64-55000112.1F49 Q52 I56 T323 D327 T328 E329 F333 V334 F335F49-I331 HydrophobicContact CD2-CD1 3.99Å; F49-I331 HydrophobicContact CD2-CG2 4.19Å; F49-I331 HydrophobicContact CE2-CD1 4.11Å; F49-I331 HydrophobicContact CE2-CG2 3.95Å; Q52-I331 HydrophobicContact CB-CB 4.31Å; Q52-I331 HydrophobicContact CB-CG2 3.74Å; Q52-I331 HydrophobicContact CG-CB 4.33Å; Q52-I331 HydrophobicContact CG-CG1 4.14Å; Q52-I331 HydrophobicContact CG-CG2 4.26Å; I56-I331 HydrophobicContact CD1-CB 4.15Å; I56-I331 HydrophobicContact CD1-CG2 3.85Å; T323-I331 HydrophobicContact CG2-CD1 3.96Å; D327-I331 WeakPolarHBondContact O-CG1 3.28Å; D327-I331 PolarHBondContact O-N 2.88Å; D327-I331 VanDerWaalsContact O-N 3.12Å; T328-I331 PolarHBondContact O-N 3.42Å; E329-I331 VanDerWaalsContact C-N 3.35Å; E329-I331 PolarHBondContact O-N 3.34Å; I331-F333 PolarHBondContact O-N 3.45Å; I331-V334 PolarHBondContact O-N 3.31Å; I331-F335 VanDerWaalsContact O-CB 3.26Å; I331-F335 WeakPolarHBondContact O-CB 3.4Å; I331-F335 PolarHBondContact O-N 2.94Å
332R96.7Very high95.1Very high100 Ų10038.6 Ų38.638%0.37720%0.199SC..Hα-helixtrans-57.7-48.9174.6-171.6-168.9-51.8-74-4.8111.7I56 T328 E329 A336I56-R332 HydrophobicContact CD1-CB 4.15Å; I56-R332 HydrophobicContact CG2-CB 4.41Å; I56-R332 HydrophobicContact CG2-CG 4.13Å; T328-R332 WeakPolarHBondContact O-CB 3.45Å; T328-R332 PolarHBondContact O-N 3.23Å; E329-R332 PolarHBondContact O-N 3.26Å; E329-R332 IonicContact OE1-CZ 2.87Å; E329-R332 IonicContact OE1-NE 3.94Å; E329-R332 PolarHBondContact OE1-NE 3.28Å; E329-R332 IonicContact OE1-NH2 2.8Å; E329-R332 PolarHBondContact OE1-NH2 3.21Å; E329-R332 IonicContact OE2-NE 3.8Å; E329-R332 PolarHBondContact OE2-NE 3.14Å; R332-A336 WeakPolarHBondContact O-CB 3.36Å; R332-A336 PolarHBondContact O-N 3.08Å; R332-A336 VanDerWaalsContact O-N 3.12Å
333F96.2Very high94.6Very high156 Ų15637.9 Ų37.968%0.68420%0.198SC*.Hα-helixtrans-65-48179.2176.5-96.4000111.9E329 N330 I331 F335 A336 A337E329-F333 PolarHBondContact O-N 2.84Å; N330-F333 PolarHBondContact O-N 3Å; I331-F333 PolarHBondContact O-N 3.45Å; F333-F335 PolarHBondContact O-N 3.01Å; F333-A336 PolarHBondContact O-N 3.16Å; F333-A337 PolarHBondContact O-N 3.46Å
334V94.9Very high94Very high5 Ų543.6 Ų43.63%0.0322%0.224CC..Hα-helixtrans-64.3-43.9-177.9167.40000111F266 H321 T323 N330 I331 A336 A337 V338F266-V334 HydrophobicContact CD1-CG1 4.02Å; F266-V334 HydrophobicContact CE1-CG1 3.35Å; F266-V334 HydrophobicContact CZ-CG1 4.29Å; H321-V334 HydrophobicContact CB-CG1 3.68Å; H321-V334 HydrophobicContact CB-CG2 4.34Å; T323-V334 HydrophobicContact CG2-CB 4.26Å; T323-V334 HydrophobicContact CG2-CG1 3.8Å; T323-V334 HydrophobicContact CG2-CG2 4.05Å; N330-V334 WeakPolarHBondContact O-CB 3.46Å; N330-V334 VanDerWaalsContact O-CG2 3.27Å; N330-V334 WeakPolarHBondContact O-CG2 3.4Å; N330-V334 PolarHBondContact O-N 2.73Å; I331-V334 PolarHBondContact O-N 3.31Å; V334-A336 VanDerWaalsContact C-N 3.33Å; V334-A336 PolarHBondContact O-N 2.78Å; V334-A337 PolarHBondContact O-N 3.49Å; V334-V338 HydrophobicContact CG1-CG2 4.37Å; V334-V338 VanDerWaalsContact O-CG2 3.3Å; V334-V338 WeakPolarHBondContact O-CG2 3.49Å; V334-V338 PolarHBondContact O-N 3.23Å
335F94.7Very high93.3Very high1 Ų145.5 Ų45.50%0.00423%0.234CC..Hα-helixtrans-68.4-32.9179.5-173.8-99.8000112.4L36 F49 M53 H57 L190 M197 M221 I331 F333 V338 K339L36-F335 HydrophobicContact CD1-CE2 4.43Å; F49-F335 HydrophobicContact CE1-CD2 4.21Å; F49-F335 HydrophobicContact CZ-CB 4.49Å; F49-F335 AromaticContact CZ-CD2 3.82Å; F49-F335 HydrophobicContact CZ-CD2 3.82Å; M53-F335 HydrophobicContact CE-CD1 3.74Å; M53-F335 HydrophobicContact CE-CD2 4.21Å; M53-F335 HydrophobicContact CE-CE1 3.38Å; M53-F335 HydrophobicContact CE-CE2 3.85Å; M53-F335 HydrophobicContact CE-CG 4.14Å; M53-F335 HydrophobicContact CE-CZ 3.42Å; M53-F335 VanDerWaalsContact CE-CZ 3.42Å; M53-F335 HydrophobicContact SD-CB 4.33Å; M53-F335 HydrophobicContact SD-CD1 3.81Å; M53-F335 HydrophobicContact SD-CD2 3.72Å; M53-F335 HydrophobicContact SD-CE1 4.04Å; M53-F335 HydrophobicContact SD-CE2 3.92Å; M53-F335 HydrophobicContact SD-CG 3.64Å; M53-F335 HydrophobicContact SD-CZ 4.07Å; H57-F335 AromaticContact CD2-CD1 3.98Å; H57-F335 AromaticContact NE2-CD1 3.43Å; H57-F335 WeakPolarHBondContact NE2-CD1 3.42Å; H57-F335 AromaticContact NE2-CE1 3.88Å; L190-F335 HydrophobicContact CD1-CE1 3.47Å; L190-F335 VanDerWaalsContact CD1-CE1 3.47Å; L190-F335 HydrophobicContact CD1-CZ 3.97Å; M197-F335 HydrophobicContact CE-CD2 4.25Å; M197-F335 HydrophobicContact CE-CE2 3.35Å; M197-F335 HydrophobicContact CE-CZ 3.75Å; M221-F335 HydrophobicContact CE-CD2 4.41Å; M221-F335 HydrophobicContact CE-CE2 4.08Å; I331-F335 VanDerWaalsContact O-CB 3.26Å; I331-F335 WeakPolarHBondContact O-CB 3.4Å; I331-F335 PolarHBondContact O-N 2.94Å; F333-F335 PolarHBondContact O-N 3.01Å; F335-V338 PolarHBondContact O-N 2.81Å; F335-K339 HydrophobicContact CE1-CB 4.41Å; F335-K339 VanDerWaalsContact O-CB 3.31Å; F335-K339 WeakPolarHBondContact O-CB 3.31Å; F335-K339 PolarHBondContact O-N 3.28Å
336A93.5Very high92.4Very high45 Ų4546.1 Ų46.137%0.37224%0.236SC..Hα-helixtrans-59.6-47171.900000111.8R332 F333 V334 V338 K339 D340R332-A336 WeakPolarHBondContact O-CB 3.36Å; R332-A336 PolarHBondContact O-N 3.08Å; R332-A336 VanDerWaalsContact O-N 3.12Å; F333-A336 PolarHBondContact O-N 3.16Å; V334-A336 VanDerWaalsContact C-N 3.33Å; V334-A336 PolarHBondContact O-N 2.78Å; A336-V338 VanDerWaalsContact C-N 3.33Å; A336-V338 PolarHBondContact O-N 3.18Å; A336-K339 WeakPolarHBondContact O-CB 3.21Å; A336-K339 PolarHBondContact O-N 3.09Å; A336-D340 PolarHBondContact O-N 2.74Å
337A93Very high91.3Very high31 Ų3148.3 Ų48.326%0.25625%0.246SC..Hα-helixtrans-63.2-38.8176.600000112.8F333 V334 D340 T341F333-A337 PolarHBondContact O-N 3.46Å; V334-A337 PolarHBondContact O-N 3.49Å; A337-D340 PolarHBondContact O-N 2.65Å; A337-T341 PolarHBondContact O-N 2.75Å; A337-T341 VanDerWaalsContact O-N 3.09Å; A337-T341 PolarHBondContact O-OG1 3.13Å
338V93Very high89.9Confident0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-67.4-44.1176.5168.60000111.4M221 I264 F266 H321 V334 F335 A336 D340 T341 I342M221-V338 HydrophobicContact CE-CG1 3.47Å; M221-V338 VanDerWaalsContact CE-CG1 3.47Å; I264-V338 HydrophobicContact CD1-CG1 3.48Å; I264-V338 VanDerWaalsContact CD1-CG1 3.48Å; I264-V338 HydrophobicContact CG1-CG1 4.28Å; I264-V338 HydrophobicContact CG2-CG1 4.46Å; I264-V338 HydrophobicContact CG2-CG2 3.9Å; F266-V338 HydrophobicContact CE1-CG2 3.97Å; F266-V338 HydrophobicContact CZ-CG2 3.9Å; H321-V338 WeakPolarHBondContact NE2-CG2 3.34Å; V334-V338 HydrophobicContact CG1-CG2 4.37Å; V334-V338 VanDerWaalsContact O-CG2 3.3Å; V334-V338 WeakPolarHBondContact O-CG2 3.49Å; V334-V338 PolarHBondContact O-N 3.23Å; F335-V338 PolarHBondContact O-N 2.81Å; A336-V338 VanDerWaalsContact C-N 3.33Å; A336-V338 PolarHBondContact O-N 3.18Å; V338-D340 VanDerWaalsContact C-N 3.31Å; V338-D340 PolarHBondContact O-N 3.33Å; V338-T341 PolarHBondContact O-N 3.49Å; V338-I342 HydrophobicContact CG1-CD1 3.54Å; V338-I342 HydrophobicContact CG1-CG1 4.22Å; V338-I342 VanDerWaalsContact O-CG1 3.25Å; V338-I342 WeakPolarHBondContact O-CG1 2.98Å; V338-I342 PolarHBondContact O-N 2.75Å
339K91.8Very high88.3Confident38 Ų3856.4 Ų56.417%0.16528%0.278CS..Hα-helixtrans-52.9-52.5173.9-172.6-176.576.6170.50109.7L190 D191 F195 F335 A336 T341 I342 L343L190-K339 HydrophobicContact CD1-CD 4.42Å; D191-K339 IonicContact OD2-NZ 3.6Å; D191-K339 PolarHBondContact OD2-NZ 2.96Å; F195-K339 HydrophobicContact CE2-CD 4.39Å; F195-K339 HydrophobicContact CE2-CG 4.16Å; F195-K339 HydrophobicContact CZ-CG 3.79Å; F335-K339 HydrophobicContact CE1-CB 4.41Å; F335-K339 VanDerWaalsContact O-CB 3.31Å; F335-K339 WeakPolarHBondContact O-CB 3.31Å; F335-K339 PolarHBondContact O-N 3.28Å; A336-K339 WeakPolarHBondContact O-CB 3.21Å; A336-K339 PolarHBondContact O-N 3.09Å; K339-T341 VanDerWaalsContact C-N 3.31Å; K339-T341 PolarHBondContact O-N 2.92Å; K339-I342 PolarHBondContact O-N 3.26Å; K339-L343 HydrophobicContact CG-CD1 3.97Å; K339-L343 HydrophobicContact CG-CG 4.4Å; K339-L343 WeakPolarHBondContact O-CB 3.31Å; K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.03Å
340D89.5Confident86.6Confident83 Ų8355.7 Ų55.744%0.44427%0.271SS..Hα-helixtrans-60.7-40.7-178.3-69-13.1000112.2A336 A337 V338 L343 Q344A336-D340 PolarHBondContact O-N 2.74Å; A337-D340 PolarHBondContact O-N 2.65Å; V338-D340 VanDerWaalsContact C-N 3.31Å; V338-D340 PolarHBondContact O-N 3.33Å; D340-L343 PolarHBondContact O-N 3.3Å; D340-Q344 WeakPolarHBondContact O-CB 3.23Å; D340-Q344 VanDerWaalsContact O-CG 3.23Å; D340-Q344 WeakPolarHBondContact O-CG 3.45Å; D340-Q344 PolarHBondContact O-N 3.22Å
341T89.3Confident84.6Confident24 Ų2461.8 Ų61.815%0.14730%0.303CS..Hα-helixtrans-64-48.5177.7-62.80000111.5Y319 A337 V338 K339 L343 Q344 L345Y319-T341 HydrophobicContact CD1-CG2 3.66Å; Y319-T341 HydrophobicContact CD2-CG2 3.85Å; Y319-T341 HydrophobicContact CE1-CG2 3.58Å; Y319-T341 HydrophobicContact CE2-CG2 3.78Å; Y319-T341 HydrophobicContact CG-CG2 3.78Å; A337-T341 PolarHBondContact O-N 2.75Å; A337-T341 VanDerWaalsContact O-N 3.09Å; A337-T341 PolarHBondContact O-OG1 3.13Å; V338-T341 PolarHBondContact O-N 3.49Å; K339-T341 VanDerWaalsContact C-N 3.31Å; K339-T341 PolarHBondContact O-N 2.92Å; T341-L343 VanDerWaalsContact C-N 3.31Å; T341-L343 PolarHBondContact O-N 2.9Å; T341-Q344 PolarHBondContact O-N 2.94Å; T341-L345 HydrophobicContact CG2-CD1 4.1Å; T341-L345 WeakPolarHBondContact O-CG 3.46Å; T341-L345 PolarHBondContact O-N 3Å
342I89.8Confident82.4Confident0 Ų067.8 Ų67.80%034%0.335CS..Hα-helixtrans-61.1-44.2179.3-64.2166.1000109.9L34 L36 F195 T218 M221 I264 V338 K339 L345 N346L34-I342 HydrophobicContact CD1-CG2 3.86Å; L36-I342 HydrophobicContact CD1-CD1 4.41Å; L36-I342 HydrophobicContact CD2-CD1 3.7Å; F195-I342 HydrophobicContact CE1-CD1 4.49Å; T218-I342 HydrophobicContact CG2-CG2 4.13Å; M221-I342 HydrophobicContact CE-CD1 4.16Å; I264-I342 HydrophobicContact CD1-CD1 3.74Å; I264-I342 HydrophobicContact CD1-CG1 3.82Å; V338-I342 HydrophobicContact CG1-CD1 3.54Å; V338-I342 HydrophobicContact CG1-CG1 4.22Å; V338-I342 VanDerWaalsContact O-CG1 3.25Å; V338-I342 WeakPolarHBondContact O-CG1 2.98Å; V338-I342 PolarHBondContact O-N 2.75Å; K339-I342 PolarHBondContact O-N 3.26Å; I342-L345 PolarHBondContact O-N 3.38Å; I342-N346 WeakPolarHBondContact CG2-ND2 3.34Å; I342-N346 PolarHBondContact O-N 3.1Å; I342-N346 PolarHBondContact O-ND2 3.21Å
343L87.5Confident79.7Confident36 Ų3671 Ų7119%0.18837%0.366CS..Hα-helixtrans-65-42.4179.7-66.2-177.7000112.4L34 I193 K339 D340 T341 L345 N346 L347L34-L343 HydrophobicContact CD1-CD2 3.68Å; I193-L343 HydrophobicContact CD1-CD1 3.92Å; I193-L343 HydrophobicContact CD1-CD2 3.2Å; I193-L343 HydrophobicContact CD1-CG 4.19Å; I193-L343 HydrophobicContact CG2-CD2 4.35Å; K339-L343 HydrophobicContact CG-CD1 3.97Å; K339-L343 HydrophobicContact CG-CG 4.4Å; K339-L343 WeakPolarHBondContact O-CB 3.31Å; K339-L343 WeakPolarHBondContact O-CG 3.45Å; K339-L343 PolarHBondContact O-N 3.03Å; D340-L343 PolarHBondContact O-N 3.3Å; T341-L343 VanDerWaalsContact C-N 3.31Å; T341-L343 PolarHBondContact O-N 2.9Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 3.44Å; L343-N346 PolarHBondContact O-N 3.01Å; L343-L347 WeakPolarHBondContact O-CB 3.07Å; L343-L347 VanDerWaalsContact O-CG 3.24Å; L343-L347 WeakPolarHBondContact O-CG 3.17Å; L343-L347 PolarHBondContact O-N 3.3Å
344Q84.9Confident78.9Confident120 Ų12066.8 Ų66.856%0.56135%0.35SS*.Hα-helixtrans-62.5-39.5176.5-75.2177.3900112.4D340 T341 K348D340-Q344 WeakPolarHBondContact O-CB 3.23Å; D340-Q344 VanDerWaalsContact O-CG 3.23Å; D340-Q344 WeakPolarHBondContact O-CG 3.45Å; D340-Q344 PolarHBondContact O-N 3.22Å; T341-Q344 PolarHBondContact O-N 2.94Å; Q344-K348 WeakPolarHBondContact O-CG 3.49Å; Q344-K348 PolarHBondContact O-N 3.36Å
345L82.9Confident78Confident51 Ų5170.1 Ų70.127%0.26737%0.366SS..Hα-helixtrans-68.1-44.3177.6-68.3173.6000111.7Y319 T341 I342 L343 K348 E349Y319-L345 HydrophobicContact CE2-CD1 3.83Å; T341-L345 HydrophobicContact CG2-CD1 4.1Å; T341-L345 WeakPolarHBondContact O-CG 3.46Å; T341-L345 PolarHBondContact O-N 3Å; I342-L345 PolarHBondContact O-N 3.38Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 3.44Å; L345-K348 PolarHBondContact O-N 2.96Å; L345-E349 PolarHBondContact O-N 3.09Å
346N77.5Confident77.1Confident19 Ų1973.9 Ų73.910%0.10239%0.387CS..Hα-helixtrans-67-39.7178.2-80.5-93000112.2T218 I342 L343 K348 E349 Y350T218-N346 WeakPolarHBondContact CG2-ND2 3.4Å; T218-N346 WeakPolarHBondContact CG2-OD1 3.45Å; I342-N346 WeakPolarHBondContact CG2-ND2 3.34Å; I342-N346 PolarHBondContact O-N 3.1Å; I342-N346 PolarHBondContact O-ND2 3.21Å; L343-N346 PolarHBondContact O-N 3.01Å; N346-K348 VanDerWaalsContact C-N 3.32Å; N346-K348 PolarHBondContact O-N 2.95Å; N346-E349 WeakPolarHBondContact O-CB 3.46Å; N346-E349 PolarHBondContact O-N 3.31Å; N346-Y350 WeakPolarHBondContact O-CD2 3.36Å; N346-Y350 PolarHBondContact O-N 3Å
347L74.6Confident76.1Confident74 Ų7475.6 Ų75.639%0.38739%0.387SS..Hα-helixtrans-64.1-35.9178.7-74.7170.8000112.9L343 E349 Y350 N351 L352 V353L343-L347 WeakPolarHBondContact O-CB 3.07Å; L343-L347 VanDerWaalsContact O-CG 3.24Å; L343-L347 WeakPolarHBondContact O-CG 3.17Å; L343-L347 PolarHBondContact O-N 3.3Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-Y350 PolarHBondContact O-N 2.8Å; L347-N351 PolarHBondContact O-N 2.9Å; L347-L352 HydrophobicContact CD2-CB 3.98Å; L347-L352 HydrophobicContact CD2-CD1 3.88Å; L347-L352 PolarHBondContact O-N 3.02Å; L347-L352 VanDerWaalsContact O-N 3.17Å; L347-V353 HydrophobicContact CB-CG2 4.13Å
348K67Low75.1Confident138 Ų13878.4 Ų78.460%0.640%0.396SS*.Hα-helixtrans-62.2-40.7173.7-74.9174.9-179.2-178.70111.5Q344 L345 N346 Y350 N351Q344-K348 WeakPolarHBondContact O-CG 3.49Å; Q344-K348 PolarHBondContact O-N 3.36Å; L345-K348 PolarHBondContact O-N 2.96Å; N346-K348 VanDerWaalsContact C-N 3.32Å; N346-K348 PolarHBondContact O-N 2.95Å; K348-Y350 VanDerWaalsContact C-N 3.28Å; K348-Y350 PolarHBondContact O-N 3.18Å; K348-N351 PolarHBondContact O-N 3.41Å
349E64.4Low73.9Confident130 Ų13083.6 Ų83.661%0.60742%0.422SS*.Hα-helixtrans-63.5-34.3178.1-160.8-175.1159.100112.4L345 N346 L347L345-E349 PolarHBondContact O-N 3.09Å; N346-E349 WeakPolarHBondContact O-CB 3.46Å; N346-E349 PolarHBondContact O-N 3.31Å; L347-E349 VanDerWaalsContact C-N 3.32Å
350Y62.5Low72.6Confident97 Ų9786.9 Ų86.938%0.3844%0.44SS..THydrogen-bonded Turntrans-87.67178.6-68.5-67.1000115.2R31 N346 L347 K348 L352R31-Y350 HydrophobicContact CG-CE1 4.07Å; N346-Y350 WeakPolarHBondContact O-CD2 3.36Å; N346-Y350 PolarHBondContact O-N 3Å; L347-Y350 PolarHBondContact O-N 2.8Å; K348-Y350 VanDerWaalsContact C-N 3.28Å; K348-Y350 PolarHBondContact O-N 3.18Å; Y350-L352 PolarHBondContact O-N 2.86Å
351N56Low71.3Confident149 Ų14987.2 Ų87.280%0.79744%0.44SS*.THydrogen-bonded Turntrans51.537.5-174.4-67.4-38.9000113.3L347 K348L347-N351 PolarHBondContact O-N 2.9Å; K348-N351 PolarHBondContact O-N 3.41Å
352L50Low69.8Low126 Ų12692.4 Ų92.466%0.6646%0.464SS*.  trans-95.47.2179-70.7172.5000113.4L347 Y350L347-L352 HydrophobicContact CD2-CB 3.98Å; L347-L352 HydrophobicContact CD2-CD1 3.88Å; L347-L352 PolarHBondContact O-N 3.02Å; L347-L352 VanDerWaalsContact O-N 3.17Å; Y350-L352 PolarHBondContact O-N 2.86Å
353V40.7Very low68Low169 Ų169100.8 Ų100.8100%1.02451%0.507SS*.  trans-126.20174.3-175.10000109.9L347L347-V353 HydrophobicContact CB-CG2 4.13Å

Retrieved 353 of 353 residues in 898.2 ms (Link to these results)

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