A0A3Q0KCR4_SCHMA Loading...

Putative trimeric G-protein alpha o subunit

Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems. The G(o) protein function is not clear.

AlphaFold DB , UniProt , Accession A0A3Q0KCR4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 355 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
1M40.9Very low74.3Confident240 Ų240121.5 Ų121.5100%1.18265%0.654SS**  0102.40-73.9-167.9-98.100107.3C3M1-C3 PolarHBondContact O-N 2.79Å
2G52.5Low75.5Confident73 Ų73115.8 Ų115.875%0.75364%0.636SS**  trans-77103.4174.300000107.9T4G2-T4 VanDerWaalsContact C-N 3.3Å; G2-T4 PolarHBondContact O-N 3.2Å
3C57.2Low76.5Confident126 Ų126113.7 Ų113.785%0.85162%0.623SS**  trans-63.797.2170.5-730000107.8M1 L5M1-C3 PolarHBondContact O-N 2.79Å; C3-L5 PolarHBondContact O-N 3.48Å
4T70.6Confident77.5Confident120 Ų120114.1 Ų114.174%0.73662%0.618SS**  trans-70108.1170.742.80000107.7G2 S6G2-T4 VanDerWaalsContact C-N 3.3Å; G2-T4 PolarHBondContact O-N 3.2Å; T4-S6 PolarHBondContact O-N 3Å
5L75.5Confident78.3Confident79 Ų79114.9 Ų114.941%0.41462%0.616SS.*  trans-48.1135.1169.1-69.8157.9000109.8C3 E9 R10 L13C3-L5 PolarHBondContact O-N 3.48Å; L5-E9 HydrophobicContact CB-CB 4.25Å; L5-E9 HydrophobicContact CD2-CB 3.87Å; L5-R10 HydrophobicContact CB-CG 3.75Å; L5-R10 HydrophobicContact CD1-CG 4.42Å; L5-R10 PolarHBondContact O-NE 3.25Å; L5-L13 HydrophobicContact CD1-CD1 3.7Å; L5-L13 HydrophobicContact CD2-CD1 4.1Å
6S84.2Confident79.1Confident52 Ų52111.3 Ų111.336%0.36460%0.603SS.*  trans-59.6158.9169.965.40000110.6T4 E8 E9 R10T4-S6 PolarHBondContact O-N 3Å; S6-E8 PolarHBondContact O-N 2.92Å; S6-E9 WeakPolarHBondContact CB-OE2 3.17Å; S6-E9 PolarHBondContact N-OE2 3.23Å; S6-E9 PolarHBondContact O-N 3.26Å; S6-E9 WeakPolarHBondContact OG-CB 3.4Å; S6-E9 VanDerWaalsContact OG-CD 3.25Å; S6-E9 WeakPolarHBondContact OG-CG 3.29Å; S6-E9 PolarHBondContact OG-N 2.91Å; S6-E9 PolarHBondContact OG-OE2 3.43Å; S6-R10 WeakPolarHBondContact O-CG 3.42Å; S6-R10 PolarHBondContact O-N 2.88Å
7K86.5Confident79.9Confident160 Ų160115.8 Ų115.870%0.69661%0.609SS**Hα-helixtrans-56.8-42.2177.3-175.2-177.9173-172.40111.1R10 D11K7-R10 PolarHBondContact O-N 2.97Å; K7-D11 VanDerWaalsContact O-CG 3.23Å; K7-D11 PolarHBondContact O-N 3.34Å
8E86.6Confident80.5Confident162 Ų162114.6 Ų114.676%0.75760%0.603SS**Hα-helixtrans-62.7-42.8177.8-65.3176.9179.400112.3S6 R10 D11 A12S6-E8 PolarHBondContact O-N 2.92Å; E8-R10 VanDerWaalsContact C-N 3.34Å; E8-R10 PolarHBondContact O-N 3.25Å; E8-D11 PolarHBondContact O-N 2.79Å; E8-A12 VanDerWaalsContact O-CB 3.29Å; E8-A12 WeakPolarHBondContact O-CB 3.44Å; E8-A12 PolarHBondContact O-N 3.44Å
9E88Confident81Confident100 Ų100113.1 Ų113.147%0.46760%0.595SS.*Hα-helixtrans-66.1-35.5175.6-71.7164.8139.600112.4L5 S6 L13L5-E9 HydrophobicContact CB-CB 4.25Å; L5-E9 HydrophobicContact CD2-CB 3.87Å; S6-E9 WeakPolarHBondContact CB-OE2 3.17Å; S6-E9 PolarHBondContact N-OE2 3.23Å; S6-E9 PolarHBondContact O-N 3.26Å; S6-E9 WeakPolarHBondContact OG-CB 3.4Å; S6-E9 VanDerWaalsContact OG-CD 3.25Å; S6-E9 WeakPolarHBondContact OG-CG 3.29Å; S6-E9 PolarHBondContact OG-N 2.91Å; S6-E9 PolarHBondContact OG-OE2 3.43Å; E9-L13 WeakPolarHBondContact O-CB 3.3Å; E9-L13 VanDerWaalsContact O-CG 3.3Å; E9-L13 WeakPolarHBondContact O-CG 3.38Å; E9-L13 PolarHBondContact O-N 3.17Å
10R85.7Confident81.4Confident140 Ų140112.1 Ų112.153%0.52859%0.59SS.*Hα-helixtrans-66.9-47.1174.8-69.6-179.6-171.5-165.8-2.4111.5L5 S6 K7 E8 A12 L13 E14L5-R10 HydrophobicContact CB-CG 3.75Å; L5-R10 HydrophobicContact CD1-CG 4.42Å; L5-R10 PolarHBondContact O-NE 3.25Å; S6-R10 WeakPolarHBondContact O-CG 3.42Å; S6-R10 PolarHBondContact O-N 2.88Å; K7-R10 PolarHBondContact O-N 2.97Å; E8-R10 VanDerWaalsContact C-N 3.34Å; E8-R10 PolarHBondContact O-N 3.25Å; R10-A12 VanDerWaalsContact C-N 3.3Å; R10-A12 PolarHBondContact O-N 3.29Å; R10-L13 PolarHBondContact O-N 2.91Å; R10-E14 WeakPolarHBondContact O-CB 3.35Å; R10-E14 PolarHBondContact O-N 3.46Å
11D89.4Confident81.8Confident84 Ų84112.8 Ų112.845%0.44959%0.588SS.*Hα-helixtrans-62.5-40178.8-66.2-11.4000110.2K7 E8 E14 Q15K7-D11 VanDerWaalsContact O-CG 3.23Å; K7-D11 PolarHBondContact O-N 3.34Å; E8-D11 PolarHBondContact O-N 2.79Å; D11-E14 PolarHBondContact O-N 3.45Å; D11-Q15 WeakPolarHBondContact O-CB 3.49Å; D11-Q15 PolarHBondContact O-N 2.93Å
12A88.4Confident84Confident53 Ų53107.4 Ų107.444%0.43856%0.558SS.*Hα-helixtrans-66.5-41.3175.300000113.3E8 R10 Q15 S16E8-A12 VanDerWaalsContact O-CB 3.29Å; E8-A12 WeakPolarHBondContact O-CB 3.44Å; E8-A12 PolarHBondContact O-N 3.44Å; R10-A12 VanDerWaalsContact C-N 3.3Å; R10-A12 PolarHBondContact O-N 3.29Å; A12-Q15 PolarHBondContact O-N 2.87Å; A12-S16 WeakPolarHBondContact O-CB 3.46Å; A12-S16 PolarHBondContact O-N 3.25Å
13L89.2Confident85.6Confident89 Ų89109.1 Ų109.147%0.46655%0.55SS..Hα-helixtrans-65.6-40.2175.1-80.2165.9000112L5 E9 R10 S16 R17L5-L13 HydrophobicContact CD1-CD1 3.7Å; L5-L13 HydrophobicContact CD2-CD1 4.1Å; E9-L13 WeakPolarHBondContact O-CB 3.3Å; E9-L13 VanDerWaalsContact O-CG 3.3Å; E9-L13 WeakPolarHBondContact O-CG 3.38Å; E9-L13 PolarHBondContact O-N 3.17Å; R10-L13 PolarHBondContact O-N 2.91Å; L13-S16 PolarHBondContact O-N 2.9Å; L13-R17 WeakPolarHBondContact O-CB 3.3Å; L13-R17 VanDerWaalsContact O-CG 3.29Å; L13-R17 WeakPolarHBondContact O-CG 3.4Å; L13-R17 PolarHBondContact O-N 3.17Å
14E89.8Confident86.9Confident119 Ų119109.5 Ų109.556%0.55654%0.537SS*.Hα-helixtrans-65.5-42.1175-172.6169.6-172.100111.1R10 D11 R17 N18R10-E14 WeakPolarHBondContact O-CB 3.35Å; R10-E14 PolarHBondContact O-N 3.46Å; D11-E14 PolarHBondContact O-N 3.45Å; E14-R17 PolarHBondContact O-N 3.47Å; E14-N18 WeakPolarHBondContact O-CB 3.29Å; E14-N18 PolarHBondContact O-N 2.93Å; E14-N18 PolarHBondContact O-ND2 2.98Å
15Q90.1Very high87.6Confident126 Ų126108.5 Ų108.559%0.58952%0.524SS*.Hα-helixtrans-61.5-46174-171.2176.19.800112D11 A12 R17 N18 I19D11-Q15 WeakPolarHBondContact O-CB 3.49Å; D11-Q15 PolarHBondContact O-N 2.93Å; A12-Q15 PolarHBondContact O-N 2.87Å; Q15-R17 PolarHBondContact O-N 3.4Å; Q15-N18 PolarHBondContact O-N 3.36Å; Q15-I19 HydrophobicContact CG-CD1 4.09Å; Q15-I19 VanDerWaalsContact O-CG1 3.3Å; Q15-I19 WeakPolarHBondContact O-CG1 3.5Å; Q15-I19 PolarHBondContact O-N 2.88Å
16S91.7Very high88Confident58 Ų58108.8 Ų108.841%0.40653%0.526SS..Hα-helixtrans-59.2-47.1176.2-170.60000111.4A12 L13 N18 I19 D20A12-S16 WeakPolarHBondContact O-CB 3.46Å; A12-S16 PolarHBondContact O-N 3.25Å; L13-S16 PolarHBondContact O-N 2.9Å; S16-N18 VanDerWaalsContact C-N 3.29Å; S16-N18 PolarHBondContact O-N 3.49Å; S16-I19 WeakPolarHBondContact O-CB 3.46Å; S16-I19 PolarHBondContact O-N 2.97Å; S16-I19 VanDerWaalsContact O-N 3.17Å; S16-D20 VanDerWaalsContact O-CG 3.28Å; S16-D20 PolarHBondContact O-N 2.96Å
17R91.6Very high87.8Confident187 Ų187108 Ų10871%0.70653%0.525SS*.Hα-helixtrans-61.7-37.4177.3-73.9176.566.5-163.9-1112.5L13 E14 Q15 K21L13-R17 WeakPolarHBondContact O-CB 3.3Å; L13-R17 VanDerWaalsContact O-CG 3.29Å; L13-R17 WeakPolarHBondContact O-CG 3.4Å; L13-R17 PolarHBondContact O-N 3.17Å; E14-R17 PolarHBondContact O-N 3.47Å; Q15-R17 PolarHBondContact O-N 3.4Å; R17-K21 VanDerWaalsContact O-CB 3.31Å; R17-K21 WeakPolarHBondContact O-CB 3.31Å; R17-K21 PolarHBondContact O-N 3.23Å
18N91.9Very high87.5Confident94 Ų94104.4 Ų104.450%0.50351%0.512SS..Hα-helixtrans-69.5-37.2176.3-73-24.7000111.8E14 Q15 S16 K22E14-N18 WeakPolarHBondContact O-CB 3.29Å; E14-N18 PolarHBondContact O-N 2.93Å; E14-N18 PolarHBondContact O-ND2 2.98Å; Q15-N18 PolarHBondContact O-N 3.36Å; S16-N18 VanDerWaalsContact C-N 3.29Å; S16-N18 PolarHBondContact O-N 3.49Å; N18-K22 WeakPolarHBondContact O-CB 3.36Å; N18-K22 PolarHBondContact O-N 3.38Å
19I89.9Confident87.2Confident86 Ų86100.9 Ų100.944%0.44150%0.496SS..Hα-helixtrans-63.6-49.7172.8-68.7164.7000110.1Q15 S16 K21 K22 L23Q15-I19 HydrophobicContact CG-CD1 4.09Å; Q15-I19 VanDerWaalsContact O-CG1 3.3Å; Q15-I19 WeakPolarHBondContact O-CG1 3.5Å; Q15-I19 PolarHBondContact O-N 2.88Å; S16-I19 WeakPolarHBondContact O-CB 3.46Å; S16-I19 PolarHBondContact O-N 2.97Å; S16-I19 VanDerWaalsContact O-N 3.17Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 2.83Å; I19-K22 PolarHBondContact O-N 2.79Å; I19-K22 VanDerWaalsContact O-N 3.12Å; I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.31Å
20D89.5Confident86.9Confident93 Ų9399 Ų9950%0.49750%0.497SS..Hα-helixtrans-60.3-40.8179.3-65.8-29000111.7S16 K24S16-D20 VanDerWaalsContact O-CG 3.28Å; S16-D20 PolarHBondContact O-N 2.96Å; D20-K24 WeakPolarHBondContact O-CB 3.38Å; D20-K24 PolarHBondContact O-N 3.36Å
21K88.6Confident86.8Confident128 Ų12893.6 Ų93.656%0.55748%0.482SS*.Hα-helixtrans-61.9-46.2174.8-172.4-174.5178.6-157.60111.2R17 I19 K24 E25R17-K21 VanDerWaalsContact O-CB 3.31Å; R17-K21 WeakPolarHBondContact O-CB 3.31Å; R17-K21 PolarHBondContact O-N 3.23Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 2.83Å; K21-K24 PolarHBondContact O-N 2.91Å; K21-E25 WeakPolarHBondContact CE-OE1 3.43Å; K21-E25 IonicContact NZ-OE1 3.88Å; K21-E25 WeakPolarHBondContact O-CG 3.36Å; K21-E25 PolarHBondContact O-N 2.9Å
22K88.2Confident86.8Confident127 Ų12793.7 Ų93.755%0.55248%0.479SS*.Hα-helixtrans-66-42.9179.5-169.5178.2-180-176.50112N18 I19 K24 E25 D26N18-K22 WeakPolarHBondContact O-CB 3.36Å; N18-K22 PolarHBondContact O-N 3.38Å; I19-K22 PolarHBondContact O-N 2.79Å; I19-K22 VanDerWaalsContact O-N 3.12Å; K22-K24 VanDerWaalsContact C-N 3.26Å; K22-K24 PolarHBondContact O-N 3.15Å; K22-E25 PolarHBondContact O-N 3.34Å; K22-E25 VanDerWaalsContact O-N 3.15Å; K22-D26 WeakPolarHBondContact O-CB 3.38Å; K22-D26 VanDerWaalsContact O-CG 3.23Å; K22-D26 PolarHBondContact O-N 3.03Å
23L85.7Confident87.1Confident109 Ų10994.7 Ų94.757%0.57148%0.477SS*.Hα-helixtrans-59.8-38.3175.2-72.3173.5000111.7I19 G27I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.31Å; L23-G27 PolarHBondContact O-N 3.12Å
24K84.5Confident87.4Confident134 Ų13490.6 Ų90.658%0.58346%0.455SS*.Hα-helixtrans-67.5-42.1174.5-172176.4-178.7175.80112.2D20 K21 K22 G27 M28D20-K24 WeakPolarHBondContact O-CB 3.38Å; D20-K24 PolarHBondContact O-N 3.36Å; K21-K24 PolarHBondContact O-N 2.91Å; K22-K24 VanDerWaalsContact C-N 3.26Å; K22-K24 PolarHBondContact O-N 3.15Å; K24-G27 PolarHBondContact O-N 2.96Å; K24-M28 HydrophobicContact CD-CE 4.4Å; K24-M28 HydrophobicContact CG-CE 4.13Å; K24-M28 WeakPolarHBondContact O-CB 3.15Å; K24-M28 VanDerWaalsContact O-CG 3.3Å; K24-M28 WeakPolarHBondContact O-CG 3.45Å; K24-M28 PolarHBondContact O-N 3.48Å
25E84.9Confident87.6Confident99 Ų9986.6 Ų86.646%0.46344%0.436SS..Hα-helixtrans-64-45.2175.5-73.6172.1179.600111.5K21 K22 G27 M28 Q29K21-E25 WeakPolarHBondContact CE-OE1 3.43Å; K21-E25 IonicContact NZ-OE1 3.88Å; K21-E25 WeakPolarHBondContact O-CG 3.36Å; K21-E25 PolarHBondContact O-N 2.9Å; K22-E25 PolarHBondContact O-N 3.34Å; K22-E25 VanDerWaalsContact O-N 3.15Å; E25-G27 PolarHBondContact O-N 3.28Å; E25-M28 PolarHBondContact O-N 3.49Å; E25-Q29 WeakPolarHBondContact O-CB 3.39Å; E25-Q29 PolarHBondContact O-N 2.96Å
26D84.1Confident88Confident84 Ų8480.6 Ų80.645%0.44941%0.408SS..Hα-helixtrans-62.4-42.6176.7-69.3-16.1000110.7K22 Q29 A30K22-D26 WeakPolarHBondContact O-CB 3.38Å; K22-D26 VanDerWaalsContact O-CG 3.23Å; K22-D26 PolarHBondContact O-N 3.03Å; D26-Q29 PolarHBondContact O-N 2.84Å; D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.27Å
27G80.4Confident88.3Confident35 Ų3577.9 Ų77.936%0.36139%0.389SS..Hα-helixtrans-63.8-41.4174.700000113.2L23 K24 E25 Q29 A30 A31L23-G27 PolarHBondContact O-N 3.12Å; K24-G27 PolarHBondContact O-N 2.96Å; E25-G27 PolarHBondContact O-N 3.28Å; G27-Q29 VanDerWaalsContact C-N 3.31Å; G27-Q29 PolarHBondContact O-N 3.48Å; G27-A30 PolarHBondContact O-N 2.98Å; G27-A31 WeakPolarHBondContact O-CB 3.48Å; G27-A31 PolarHBondContact O-N 3.45Å
28M79.4Confident88.6Confident85 Ų8569 Ų6942%0.41936%0.355SS..Hα-helixtrans-65.9-34.3174.3-75.5179.2174.900112.5K24 E25K24-M28 HydrophobicContact CD-CE 4.4Å; K24-M28 HydrophobicContact CG-CE 4.13Å; K24-M28 WeakPolarHBondContact O-CB 3.15Å; K24-M28 VanDerWaalsContact O-CG 3.3Å; K24-M28 WeakPolarHBondContact O-CG 3.45Å; K24-M28 PolarHBondContact O-N 3.48Å; E25-M28 PolarHBondContact O-N 3.49Å
29Q81.3Confident88.9Confident89 Ų8964.5 Ų64.542%0.41633%0.332SS..Hα-helixtrans-73.8-41.4177-170.655.341.100111.2E25 D26 G27 A31 K32E25-Q29 WeakPolarHBondContact O-CB 3.39Å; E25-Q29 PolarHBondContact O-N 2.96Å; D26-Q29 PolarHBondContact O-N 2.84Å; G27-Q29 VanDerWaalsContact C-N 3.31Å; G27-Q29 PolarHBondContact O-N 3.48Å; Q29-A31 VanDerWaalsContact C-N 3.28Å; Q29-A31 PolarHBondContact O-N 3.16Å; Q29-K32 WeakPolarHBondContact O-CB 3.3Å; Q29-K32 PolarHBondContact O-N 2.68Å; Q29-K32 VanDerWaalsContact O-N 3.09Å
30A80.8Confident89.3Confident60 Ų6060.4 Ų60.450%0.49631%0.311SS..Hα-helixtrans-61.3-36.2173.600000112.1D26 G27 K32 D33D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.27Å; G27-A30 PolarHBondContact O-N 2.98Å; A30-K32 PolarHBondContact O-N 3.08Å; A30-K32 VanDerWaalsContact O-N 3.13Å; A30-D33 PolarHBondContact O-N 3.12Å
31A83.7Confident89.6Confident26 Ų2656.2 Ų56.222%0.21529%0.289CS..THydrogen-bonded Turntrans-65.1-13.717600000114.2G27 Q29 N348G27-A31 WeakPolarHBondContact O-CB 3.48Å; G27-A31 PolarHBondContact O-N 3.45Å; Q29-A31 VanDerWaalsContact C-N 3.28Å; Q29-A31 PolarHBondContact O-N 3.16Å; A31-N348 PolarHBondContact O-ND2 3.43Å
32K90.1Very high89.9Confident86 Ų8650.8 Ų50.837%0.37427%0.269SS..THydrogen-bonded Turntrans-89.2-17.1173.4-64175-174.1169.10113Q29 A30 M196 N197Q29-K32 WeakPolarHBondContact O-CB 3.3Å; Q29-K32 PolarHBondContact O-N 2.68Å; Q29-K32 VanDerWaalsContact O-N 3.09Å; A30-K32 PolarHBondContact O-N 3.08Å; A30-K32 VanDerWaalsContact O-N 3.13Å; K32-M196 CarbonylContact O-C 3.53Å; K32-M196 VanDerWaalsContact O-CA 3.31Å; K32-M196 WeakPolarHBondContact O-CA 3.36Å; K32-M196 WeakPolarHBondContact O-CB 3.49Å; K32-N197 PolarHBondContact O-N 3.34Å
33D93.5Very high90.2Very high75 Ų7546.9 Ų46.940%0.40125%0.253SS..EExtended strand (participates in β ladder)trans-87.5119.6178.3-68.3-14.8000108.9A30 N197A30-D33 PolarHBondContact O-N 3.12Å; D33-N197 WeakPolarHBondContact OD1-CB 3.5Å; D33-N197 PolarHBondContact OD1-ND2 3.36Å
34V95.2Very high90.7Very high2 Ų241.8 Ų41.81%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-119.2121.4-174.7-178.20000109.5L36 M196 N197 F198 K199 T221 I344V34-L36 HydrophobicContact CG1-CD2 3.86Å; V34-L36 HydrophobicContact CG1-CG 3.97Å; V34-M196 HydrophobicContact CG2-CB 4.38Å; V34-M196 HydrophobicContact CG2-CE 3.16Å; V34-M196 HydrophobicContact CG2-SD 3.99Å; V34-N197 PolarHBondContact N-O 3.19Å; V34-F198 HydrophobicContact CB-CD1 3.74Å; V34-F198 HydrophobicContact CB-CE1 3.85Å; V34-F198 HydrophobicContact CB-CG 4.39Å; V34-F198 HydrophobicContact CG1-CD1 3.73Å; V34-F198 HydrophobicContact CG1-CE1 3.63Å; V34-F198 HydrophobicContact CG2-CD1 4.48Å; V34-F198 HydrophobicContact CG2-CE1 4.19Å; V34-F198 HydrophobicContact CG2-CZ 4.47Å; V34-F198 CarbonylContact O-C 3.49Å; V34-F198 WeakPolarHBondContact O-CA 3.34Å; V34-K199 PolarHBondContact O-N 3.4Å; V34-T221 HydrophobicContact CG1-CG2 4Å; V34-I344 HydrophobicContact CG1-CD1 4.24Å; V34-I344 HydrophobicContact CG1-CG2 4.06Å; V34-I344 HydrophobicContact CG2-CG2 3.99Å
35K95.8Very high91.3Very high36 Ų3635.9 Ų35.916%0.15720%0.204CC..EExtended strand (participates in β ladder)trans-97.6112.2170.7-177.3173.1-178.1-177.60109.8K199 F201 C216 E218 D219 V220 T221 A222K35-K199 WeakPolarHBondContact CA-O 3.23Å; K35-F201 HydrophobicContact CD-CD2 4.38Å; K35-F201 HydrophobicContact CD-CE2 3.99Å; K35-F201 HydrophobicContact CG-CD2 3.87Å; K35-F201 HydrophobicContact CG-CE2 3.73Å; K35-C216 VanDerWaalsContact CE-O 3.29Å; K35-C216 WeakPolarHBondContact CE-O 3.46Å; K35-C216 PolarHBondContact NZ-O 3.28Å; K35-E218 WeakPolarHBondContact CD-O 3.33Å; K35-E218 WeakPolarHBondContact CE-O 3.39Å; K35-E218 PolarHBondContact NZ-O 3.21Å; K35-D219 WeakPolarHBondContact CB-O 3.45Å; K35-D219 WeakPolarHBondContact CD-O 3.41Å; K35-V220 HydrophobicContact CD-CG2 4.25Å; K35-T221 PolarHBondContact N-OG1 3.44Å; K35-T221 WeakPolarHBondContact O-CB 3.33Å; K35-T221 PolarHBondContact O-N 2.86Å; K35-A222 PolarHBondContact O-N 3.39Å
36L97.3Very high91.9Very high0 Ų031.6 Ų31.60%018%0.183CC..EExtended strand (participates in β ladder)trans-102.2130.4174.1-66-176.8000110.3V34 F198 K199 L200 F201 A222 I224 F337 I344V34-L36 HydrophobicContact CG1-CD2 3.86Å; V34-L36 HydrophobicContact CG1-CG 3.97Å; L36-F198 HydrophobicContact CD1-CD1 3.54Å; L36-F198 HydrophobicContact CD1-CE1 3.81Å; L36-F198 HydrophobicContact CG-CD1 3.93Å; L36-F198 HydrophobicContact CG-CE1 4.29Å; L36-K199 PolarHBondContact N-O 2.94Å; L36-L200 HydrophobicContact CB-CD1 3.51Å; L36-L200 HydrophobicContact CD1-CD1 4.22Å; L36-L200 WeakPolarHBondContact O-CA 3.45Å; L36-F201 PolarHBondContact O-N 3.3Å; L36-A222 WeakPolarHBondContact CA-O 3.38Å; L36-A222 HydrophobicContact CD2-CB 3.83Å; L36-I224 HydrophobicContact CD1-CD1 4.08Å; L36-F337 HydrophobicContact CD1-CE2 3.73Å; L36-F337 HydrophobicContact CD1-CZ 3.78Å; L36-I344 HydrophobicContact CD2-CD1 3.77Å
37L97.9Very high92.6Very high0 Ų029.1 Ų29.10%017%0.173CC..EExtended strand (participates in β ladder)trans-112.8117.4176-176.160000110.4L39 F201 V203 C216 F217 V220 A222 I223 I224 F261L37-L39 HydrophobicContact CD1-CD2 4.29Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.07Å; L37-L39 HydrophobicContact CD2-CG 4.12Å; L37-L39 HydrophobicContact CG-CD1 4.31Å; L37-L39 HydrophobicContact CG-CD2 3.91Å; L37-L39 HydrophobicContact CG-CG 3.9Å; L37-F201 HydrophobicContact CD1-CB 3.7Å; L37-V203 HydrophobicContact CD1-CG1 4.35Å; L37-C216 HydrophobicContact CD1-CB 3.63Å; L37-C216 HydrophobicContact CD2-CB 4.3Å; L37-F217 HydrophobicContact CD2-CD1 3.78Å; L37-F217 HydrophobicContact CD2-CE1 3.88Å; L37-V220 HydrophobicContact CB-CG1 3.93Å; L37-V220 HydrophobicContact CB-CG2 4.26Å; L37-V220 HydrophobicContact CD2-CG2 4.12Å; L37-A222 PolarHBondContact N-O 3.06Å; L37-A222 VanDerWaalsContact N-O 3.13Å; L37-I223 WeakPolarHBondContact O-CA 3.39Å; L37-I224 PolarHBondContact O-N 3.17Å; L37-F261 HydrophobicContact CD2-CZ 4.07Å
38L98.1Very high93.4Very high0 Ų028.5 Ų28.50%016%0.162CC..EExtended strand (participates in β ladder)trans-85115.3174.8-70.7165.8000110K46 I49 V50 L200 F201 D202 V203 I224L38-K46 HydrophobicContact CB-CB 4.14Å; L38-K46 HydrophobicContact CB-CD 4.08Å; L38-K46 HydrophobicContact CB-CG 4.12Å; L38-K46 HydrophobicContact CD1-CB 4.45Å; L38-K46 WeakPolarHBondContact O-CD 3.29Å; L38-I49 HydrophobicContact CD2-CD1 4.15Å; L38-I49 HydrophobicContact CD2-CG2 4.29Å; L38-V50 HydrophobicContact CD1-CG2 3.58Å; L38-L200 HydrophobicContact CD1-CD1 3.73Å; L38-L200 HydrophobicContact CD1-CD2 3.93Å; L38-L200 HydrophobicContact CD1-CG 3.84Å; L38-L200 HydrophobicContact CD2-CD1 4.37Å; L38-L200 HydrophobicContact CG-CD1 3.69Å; L38-L200 HydrophobicContact CG-CG 4.33Å; L38-F201 WeakPolarHBondContact CB-O 3.33Å; L38-F201 PolarHBondContact N-O 3.07Å; L38-D202 HydrophobicContact CD1-CB 4.15Å; L38-V203 WeakPolarHBondContact O-CG2 3.49Å; L38-I224 WeakPolarHBondContact CA-O 3.42Å; L38-I224 HydrophobicContact CD2-CB 3.69Å; L38-I224 HydrophobicContact CD2-CD1 4.29Å; L38-I224 HydrophobicContact CD2-CG2 3.63Å
39L98.2Very high94.3Very high0 Ų024.5 Ų24.50%014%0.142CC..EExtended strand (participates in β ladder)trans-122.2161.7178-62.4-179.5000111.3L37 V203 W213 I223 I224 F225 C226 I255 F261L37-L39 HydrophobicContact CD1-CD2 4.29Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.07Å; L37-L39 HydrophobicContact CD2-CG 4.12Å; L37-L39 HydrophobicContact CG-CD1 4.31Å; L37-L39 HydrophobicContact CG-CD2 3.91Å; L37-L39 HydrophobicContact CG-CG 3.9Å; L39-V203 HydrophobicContact CD2-CG2 3.69Å; L39-W213 HydrophobicContact CD2-CD2 3.79Å; L39-W213 HydrophobicContact CD2-CE3 3.73Å; L39-W213 HydrophobicContact CD2-CG 4.25Å; L39-W213 HydrophobicContact CD2-CH2 4.4Å; L39-W213 HydrophobicContact CD2-CZ2 4.47Å; L39-W213 HydrophobicContact CD2-CZ3 4.04Å; L39-I223 HydrophobicContact CB-CG2 4.26Å; L39-I223 HydrophobicContact CD1-CD1 4.32Å; L39-I223 HydrophobicContact CD1-CG2 3.92Å; L39-I223 HydrophobicContact CG-CG2 4.18Å; L39-I224 PolarHBondContact N-O 3.22Å; L39-F225 HydrophobicContact CB-CD2 3.86Å; L39-F225 HydrophobicContact CB-CE2 4.32Å; L39-F225 CarbonylContact O-C 3.39Å; L39-F225 WeakPolarHBondContact O-CA 3.16Å; L39-C226 PolarHBondContact O-N 3.46Å; L39-I255 HydrophobicContact CD1-CD1 3.87Å; L39-I255 HydrophobicContact CD1-CG1 4.11Å; L39-I255 HydrophobicContact CD1-CG2 3.76Å; L39-F261 HydrophobicContact CD1-CE2 4.31Å; L39-F261 HydrophobicContact CD1-CZ 4.47Å
40G97.7Very high95Very high0 Ų021 Ų210%013%0.127CC..  trans139.2165.8-179.300000112.1K46 G205G40-K46 PolarHBondContact O-NZ 3.03Å; G40-G205 WeakPolarHBondContact O-CA 3.36Å
41A96.5Very high95.8Very high5 Ų519.4 Ų19.44%0.04111%0.109CC..SBendtrans-58.8166.7-179.300000112.4S44 K46 L251A41-S44 PolarHBondContact O-N 3.09Å; A41-S44 PolarHBondContact O-OG 3.29Å; A41-S44 VanDerWaalsContact O-OG 3.1Å; A41-K46 PolarHBondContact O-NZ 3.13Å; A41-L251 HydrophobicContact CB-CD2 4.44Å
42G94.3Very high96.4Very high14 Ų1418.1 Ų18.114%0.14410%0.099CC..THydrogen-bonded Turntrans-52.3145.2168.800000110S44 G205G42-S44 PolarHBondContact O-N 2.83Å; G42-S44 VanDerWaalsContact O-N 3.07Å; G42-G205 VanDerWaalsContact N-C 3.34Å; G42-G205 PolarHBondContact N-O 3Å
43E94.7Very high96.7Very high45 Ų4514 Ų1421%0.218%0.081CC..THydrogen-bonded Turntrans70.11.8173-56.5-180171.300116.1G45 R180 R244 K272E43-G45 PolarHBondContact O-N 3.3Å; E43-R180 IonicContact OE1-CZ 2.85Å; E43-R180 IonicContact OE1-NE 3.76Å; E43-R180 PolarHBondContact OE1-NE 2.9Å; E43-R180 IonicContact OE1-NH2 3.62Å; E43-R180 PolarHBondContact OE1-NH2 2.8Å; E43-R244 IonicContact OE2-CZ 3.8Å; E43-R244 IonicContact OE2-NH1 3.26Å; E43-R244 PolarHBondContact OE2-NH1 3.44Å; E43-R244 IonicContact OE2-NH2 2.66Å; E43-R244 PolarHBondContact OE2-NH2 3.19Å; E43-R244 VanDerWaalsContact OE2-NH2 3.16Å; E43-K272 WeakPolarHBondContact O-CE 3.48Å; E43-K272 PolarHBondContact O-NZ 2.61Å
44S97.4Very high96.7Very high2 Ų212.8 Ų12.81%0.0147%0.072CC..SBendtrans-67.3-8.917868.20000116.1A41 G42 K46 C226 N271A41-S44 PolarHBondContact O-N 3.09Å; A41-S44 PolarHBondContact O-OG 3.29Å; A41-S44 VanDerWaalsContact O-OG 3.1Å; G42-S44 PolarHBondContact O-N 2.83Å; G42-S44 VanDerWaalsContact O-N 3.07Å; S44-K46 PolarHBondContact OG-NZ 3.09Å; S44-C226 WeakPolarHBondContact CB-O 3.48Å; S44-C226 WeakPolarHBondContact OG-CB 3.38Å; S44-C226 PolarHBondContact OG-O 2.98Å; S44-C226 VanDerWaalsContact OG-O 3.13Å; S44-N271 PolarHBondContact O-ND2 2.73Å
45G97Very high96.7Very high10 Ų1013.8 Ų13.810%0.1038%0.077CC..SBendtrans10210.1175.900000116.4E43 S47 T48 I49E43-G45 PolarHBondContact O-N 3.3Å; G45-S47 PolarHBondContact O-N 3.4Å; G45-T48 WeakPolarHBondContact O-CB 3.44Å; G45-T48 PolarHBondContact O-N 3.2Å; G45-T48 VanDerWaalsContact O-N 3.13Å; G45-I49 PolarHBondContact O-N 3.11Å; G45-I49 VanDerWaalsContact O-N 3.08Å
46K97.6Very high96.7Very high9 Ų913.8 Ų13.84%0.0398%0.078CC..Hα-helixtrans-53.1-55.1178-61.8-178.4-64.4-660113.6L38 G40 A41 S44 T48 I49 V50 D202 V203 C226L38-K46 HydrophobicContact CB-CB 4.14Å; L38-K46 HydrophobicContact CB-CD 4.08Å; L38-K46 HydrophobicContact CB-CG 4.12Å; L38-K46 HydrophobicContact CD1-CB 4.45Å; L38-K46 WeakPolarHBondContact O-CD 3.29Å; G40-K46 PolarHBondContact O-NZ 3.03Å; A41-K46 PolarHBondContact O-NZ 3.13Å; S44-K46 PolarHBondContact OG-NZ 3.09Å; K46-T48 PolarHBondContact O-N 3.34Å; K46-I49 WeakPolarHBondContact O-CA 3.46Å; K46-I49 WeakPolarHBondContact O-CB 3.19Å; K46-I49 PolarHBondContact O-N 3.32Å; K46-V50 PolarHBondContact O-N 3.28Å; K46-V50 VanDerWaalsContact O-N 3.11Å; K46-D202 WeakPolarHBondContact CB-OD1 3.42Å; K46-V203 WeakPolarHBondContact CE-O 3.27Å; K46-C226 HydrophobicContact CG-CB 3.99Å
47S97.4Very high96.5Very high32 Ų3216 Ų1622%0.2249%0.089CC..Hα-helixtrans-65.2-24.4-180-47.70000112.7G45 V50 K51 T183 D202G45-S47 PolarHBondContact O-N 3.4Å; S47-V50 PolarHBondContact O-N 2.96Å; S47-K51 VanDerWaalsContact O-CG 3.31Å; S47-K51 WeakPolarHBondContact O-CG 3.21Å; S47-K51 PolarHBondContact O-N 3.17Å; S47-K51 VanDerWaalsContact O-N 3.07Å; S47-T183 PolarHBondContact OG-OG1 3.38Å; S47-D202 VanDerWaalsContact CA-OD2 3.3Å; S47-D202 WeakPolarHBondContact CA-OD2 3.39Å; S47-D202 VanDerWaalsContact CB-OD2 3.28Å; S47-D202 WeakPolarHBondContact CB-OD2 3.42Å; S47-D202 PolarHBondContact OG-OD2 3.47Å
48T97.6Very high96.2Very high23 Ų2320.4 Ų20.414%0.14111%0.109CC..Hα-helixtrans-69.5-38.7171.8-510000111G45 K46 V50 K51 Q52 L177 A327 T328G45-T48 WeakPolarHBondContact O-CB 3.44Å; G45-T48 PolarHBondContact O-N 3.2Å; G45-T48 VanDerWaalsContact O-N 3.13Å; K46-T48 PolarHBondContact O-N 3.34Å; T48-V50 VanDerWaalsContact C-N 3.33Å; T48-V50 PolarHBondContact O-N 3.44Å; T48-K51 WeakPolarHBondContact O-CB 3.31Å; T48-K51 PolarHBondContact O-N 3Å; T48-Q52 WeakPolarHBondContact O-CG 3.43Å; T48-Q52 PolarHBondContact O-N 2.95Å; T48-L177 HydrophobicContact CG2-CB 4.36Å; T48-L177 HydrophobicContact CG2-CD2 3.84Å; T48-A327 HydrophobicContact CG2-CB 3.65Å; T48-A327 WeakPolarHBondContact CG2-O 3.35Å; T48-T328 HydrophobicContact CG2-CG2 4.06Å
49I97.6Very high95.9Very high1 Ų124 Ų241%0.00515%0.146CC..Hα-helixtrans-62.6-41.1173.2-64.1159.2000110.9L38 G45 K46 K51 Q52 M53 C226 F269 A327L38-I49 HydrophobicContact CD2-CD1 4.15Å; L38-I49 HydrophobicContact CD2-CG2 4.29Å; G45-I49 PolarHBondContact O-N 3.11Å; G45-I49 VanDerWaalsContact O-N 3.08Å; K46-I49 WeakPolarHBondContact O-CA 3.46Å; K46-I49 WeakPolarHBondContact O-CB 3.19Å; K46-I49 PolarHBondContact O-N 3.32Å; I49-K51 PolarHBondContact O-N 3.42Å; I49-Q52 WeakPolarHBondContact O-CB 3Å; I49-Q52 PolarHBondContact O-N 3.45Å; I49-Q52 VanDerWaalsContact O-N 3.12Å; I49-M53 WeakPolarHBondContact O-CG 3.42Å; I49-M53 PolarHBondContact O-N 3.35Å; I49-C226 WeakPolarHBondContact CD1-SG 3.35Å; I49-F269 HydrophobicContact CD1-CD2 3.58Å; I49-F269 HydrophobicContact CD1-CE2 3.89Å; I49-A327 HydrophobicContact CG1-CB 4.23Å
50V96.8Very high95.7Very high16 Ų1624.2 Ų24.210%0.09715%0.148CC..Hα-helixtrans-59.4-47.2174.3179.10000111.5L38 K46 S47 T48 Q52 M53 K54 V189 L200 D202L38-V50 HydrophobicContact CD1-CG2 3.58Å; K46-V50 PolarHBondContact O-N 3.28Å; K46-V50 VanDerWaalsContact O-N 3.11Å; S47-V50 PolarHBondContact O-N 2.96Å; T48-V50 VanDerWaalsContact C-N 3.33Å; T48-V50 PolarHBondContact O-N 3.44Å; V50-Q52 PolarHBondContact O-N 3.18Å; V50-M53 PolarHBondContact O-N 3.29Å; V50-M53 VanDerWaalsContact O-N 3.09Å; V50-K54 PolarHBondContact O-N 2.91Å; V50-V189 HydrophobicContact CG1-CB 4.2Å; V50-V189 HydrophobicContact CG1-CG2 3.43Å; V50-V189 VanDerWaalsContact CG1-CG2 3.43Å; V50-L200 HydrophobicContact CG2-CD2 4.02Å; V50-L200 HydrophobicContact CG2-CG 4.5Å; V50-D202 HydrophobicContact CG2-CB 3.51Å
51K96.6Very high95.5Very high25 Ų2525.2 Ų25.211%0.10915%0.153CC..Hα-helixtrans-58.1-38.4174.9-70.1170.2-179178.30111.5S47 T48 I49 K54 I55 F61 I176 L177 T179S47-K51 VanDerWaalsContact O-CG 3.31Å; S47-K51 WeakPolarHBondContact O-CG 3.21Å; S47-K51 PolarHBondContact O-N 3.17Å; S47-K51 VanDerWaalsContact O-N 3.07Å; T48-K51 WeakPolarHBondContact O-CB 3.31Å; T48-K51 PolarHBondContact O-N 3Å; I49-K51 PolarHBondContact O-N 3.42Å; K51-K54 WeakPolarHBondContact O-CB 3.37Å; K51-K54 PolarHBondContact O-N 3.49Å; K51-I55 WeakPolarHBondContact O-CG1 3.23Å; K51-I55 PolarHBondContact O-N 2.96Å; K51-I55 VanDerWaalsContact O-N 3.08Å; K51-F61 HydrophobicContact CB-CE2 4.41Å; K51-F61 HydrophobicContact CB-CZ 3.86Å; K51-F61 HydrophobicContact CG-CZ 3.96Å; K51-I176 HydrophobicContact CD-CG2 4.29Å; K51-I176 PolarHBondContact NZ-O 2.88Å; K51-L177 HydrophobicContact CB-CD2 3.76Å; K51-T179 PolarHBondContact NZ-O 3.49Å; K51-T179 PolarHBondContact NZ-OG1 3.44Å
52Q97.2Very high95.4Very high0 Ų028.8 Ų28.80%017%0.174CC..Hα-helixtrans-65.7-36.8175.3-71.3-72.222.900112.8T48 I49 V50 K54 I55 I56 L177 A327 T330 I333T48-Q52 WeakPolarHBondContact O-CG 3.43Å; T48-Q52 PolarHBondContact O-N 2.95Å; I49-Q52 WeakPolarHBondContact O-CB 3Å; I49-Q52 PolarHBondContact O-N 3.45Å; I49-Q52 VanDerWaalsContact O-N 3.12Å; V50-Q52 PolarHBondContact O-N 3.18Å; Q52-K54 VanDerWaalsContact C-N 3.26Å; Q52-K54 PolarHBondContact O-N 3.18Å; Q52-I55 PolarHBondContact O-N 3.24Å; Q52-I55 VanDerWaalsContact O-N 3.16Å; Q52-I56 HydrophobicContact CB-CD1 4.23Å; Q52-I56 WeakPolarHBondContact O-CB 3.32Å; Q52-I56 VanDerWaalsContact O-CG1 3.24Å; Q52-I56 WeakPolarHBondContact O-CG1 3.48Å; Q52-I56 PolarHBondContact O-N 3.25Å; Q52-L177 HydrophobicContact CG-CD2 3.79Å; Q52-A327 WeakPolarHBondContact CG-O 3.38Å; Q52-A327 PolarHBondContact NE2-O 3.34Å; Q52-T330 PolarHBondContact NE2-OG1 2.81Å; Q52-T330 PolarHBondContact OE1-OG1 2.98Å; Q52-I333 HydrophobicContact CB-CB 4.44Å; Q52-I333 HydrophobicContact CB-CG2 3.8Å; Q52-I333 HydrophobicContact CG-CB 4.35Å; Q52-I333 HydrophobicContact CG-CG1 4.23Å; Q52-I333 HydrophobicContact CG-CG2 4.21Å
53M96Very high95.3Very high0 Ų035.4 Ų35.40%020%0.201CC..Hα-helixtrans-62.3-37.5174.5-62.5-58.393.700111.4I49 V50 I56 H57 F191 L200 I333 F337I49-M53 WeakPolarHBondContact O-CG 3.42Å; I49-M53 PolarHBondContact O-N 3.35Å; V50-M53 PolarHBondContact O-N 3.29Å; V50-M53 VanDerWaalsContact O-N 3.09Å; M53-I56 HydrophobicContact CE-CD1 4.08Å; M53-H57 WeakPolarHBondContact O-CB 3.32Å; M53-H57 PolarHBondContact O-N 3.1Å; M53-F191 HydrophobicContact CB-CD1 4.02Å; M53-F191 HydrophobicContact CB-CE1 3.81Å; M53-F191 HydrophobicContact CB-CZ 4.2Å; M53-F191 HydrophobicContact CG-CD1 4.39Å; M53-F191 HydrophobicContact CG-CE1 3.68Å; M53-F191 HydrophobicContact CG-CZ 3.74Å; M53-F191 HydrophobicContact SD-CE1 4.1Å; M53-F191 HydrophobicContact SD-CE2 3.89Å; M53-F191 HydrophobicContact SD-CZ 3.51Å; M53-F191 VanDerWaalsContact SD-CZ 3.51Å; M53-L200 HydrophobicContact CG-CD2 3.68Å; M53-I333 HydrophobicContact CE-CG2 3.7Å; M53-F337 HydrophobicContact CE-CB 4.4Å; M53-F337 HydrophobicContact CE-CD2 4.06Å; M53-F337 HydrophobicContact CE-CG 4.1Å; M53-F337 HydrophobicContact SD-CD1 4.17Å; M53-F337 HydrophobicContact SD-CD2 3.81Å; M53-F337 HydrophobicContact SD-CE1 4.13Å; M53-F337 HydrophobicContact SD-CE2 3.75Å; M53-F337 HydrophobicContact SD-CG 4.04Å; M53-F337 HydrophobicContact SD-CZ 3.93Å
54K94.4Very high95.2Very high49 Ų4938 Ų3821%0.21321%0.213CC..Hα-helixtrans-62.5-43.4172.5-174170.7176.9-178.50111.9V50 K51 Q52 E58 G59 G60 F61 D65V50-K54 PolarHBondContact O-N 2.91Å; K51-K54 WeakPolarHBondContact O-CB 3.37Å; K51-K54 PolarHBondContact O-N 3.49Å; Q52-K54 VanDerWaalsContact C-N 3.26Å; Q52-K54 PolarHBondContact O-N 3.18Å; K54-E58 HydrophobicContact CG-CB 4.19Å; K54-E58 CarbonylContact O-C 3.14Å; K54-E58 WeakPolarHBondContact O-CA 3.4Å; K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 PolarHBondContact O-N 3.06Å; K54-G59 PolarHBondContact O-N 3.21Å; K54-G60 WeakPolarHBondContact CE-O 3.36Å; K54-G60 PolarHBondContact O-N 2.64Å; K54-F61 HydrophobicContact CD-CD1 4.03Å; K54-F61 HydrophobicContact CD-CE1 3.75Å; K54-F61 HydrophobicContact CD-CZ 4.22Å; K54-D65 VanDerWaalsContact NZ-CG 3.25Å; K54-D65 IonicContact NZ-OD1 3.03Å; K54-D65 PolarHBondContact NZ-OD1 3.25Å; K54-D65 IonicContact NZ-OD2 3.37Å; K54-D65 PolarHBondContact NZ-OD2 3.47Å
55I95.4Very high95Very high23 Ų2339.4 Ų39.412%0.11822%0.221CC..Hα-helixtrans-62.8-52.3175.8-64.7170000111.9K51 Q52 F61 E173 L177 T330K51-I55 WeakPolarHBondContact O-CG1 3.23Å; K51-I55 PolarHBondContact O-N 2.96Å; K51-I55 VanDerWaalsContact O-N 3.08Å; Q52-I55 PolarHBondContact O-N 3.24Å; Q52-I55 VanDerWaalsContact O-N 3.16Å; I55-F61 HydrophobicContact CD1-CD2 4.37Å; I55-F61 HydrophobicContact CD1-CE2 3.86Å; I55-F61 HydrophobicContact CG1-CD2 3.98Å; I55-F61 HydrophobicContact CG1-CE2 3.65Å; I55-E173 HydrophobicContact CD1-CB 4.13Å; I55-L177 HydrophobicContact CD1-CD1 3.78Å; I55-L177 HydrophobicContact CD1-CD2 3.95Å; I55-L177 HydrophobicContact CD1-CG 3.91Å; I55-T330 HydrophobicContact CG2-CG2 4.08Å
56I95.1Very high94.9Very high35 Ų3540 Ų4018%0.17922%0.221CC..Hα-helixtrans-76.4-35.1-169.6-61165.2000111.5Q52 M53 T330 I333 Q334Q52-I56 HydrophobicContact CB-CD1 4.23Å; Q52-I56 WeakPolarHBondContact O-CB 3.32Å; Q52-I56 VanDerWaalsContact O-CG1 3.24Å; Q52-I56 WeakPolarHBondContact O-CG1 3.48Å; Q52-I56 PolarHBondContact O-N 3.25Å; M53-I56 HydrophobicContact CE-CD1 4.08Å; I56-T330 HydrophobicContact CD1-CG2 4.17Å; I56-T330 HydrophobicContact CG1-CG2 3.73Å; I56-I333 HydrophobicContact CD1-CB 4.35Å; I56-I333 HydrophobicContact CD1-CG2 3.9Å; I56-Q334 HydrophobicContact CD1-CB 4.02Å; I56-Q334 HydrophobicContact CG2-CB 4.42Å; I56-Q334 HydrophobicContact CG2-CG 4.04Å
57H93.2Very high94.7Very high48 Ų4844.3 Ų44.322%0.22224%0.24CC..Hα-helixtrans-119.4-16-169.2-57.9-55.1000115.2M53 F191 F193 F337M53-H57 WeakPolarHBondContact O-CB 3.32Å; M53-H57 PolarHBondContact O-N 3.1Å; H57-F191 HydrophobicContact CB-CB 4.01Å; H57-F191 HydrophobicContact CB-CD2 4.08Å; H57-F191 HydrophobicContact CB-CG 4.3Å; H57-F191 AromaticContact CD2-CD2 3.58Å; H57-F191 AromaticContact CD2-CE2 3.73Å; H57-F191 AromaticContact CG-CD2 3.94Å; H57-F193 AromaticContact CE1-CD2 3.18Å; H57-F193 WeakPolarHBondContact CE1-CD2 3.43Å; H57-F193 AromaticContact CE1-CE2 3.59Å; H57-F193 AromaticContact CE1-CG 3.61Å; H57-F193 AromaticContact ND1-CD2 3.71Å; H57-F337 AromaticContact NE2-CD1 3.97Å
58E91.2Very high94.7Very high91 Ų9148.8 Ų48.843%0.42526%0.257SS..SBendtrans-116.610-178.9-57.4-173.8171.100113.9K54 F191K54-E58 HydrophobicContact CG-CB 4.19Å; K54-E58 CarbonylContact O-C 3.14Å; K54-E58 WeakPolarHBondContact O-CA 3.4Å; K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 PolarHBondContact O-N 3.06Å; E58-F191 HydrophobicContact CG-CB 4.44Å
59G91.5Very high94.7Very high75 Ų7550.3 Ų50.377%0.77326%0.261SS*.  trans80.115.5178.100000114.6K54K54-G59 PolarHBondContact O-N 3.21Å
60G93.7Very high94.7Very high5 Ų552.1 Ų52.15%0.05227%0.269CS..  trans81.6-157.2172.300000115.1K54K54-G60 WeakPolarHBondContact CE-O 3.36Å; K54-G60 PolarHBondContact O-N 2.64Å
61F94.7Very high94.7Very high21 Ų2153.8 Ų53.89%0.09228%0.28CS..  trans-96.8132.1-175.2-65-85000110.8K51 K54 I55 D65 N66 Y69 E173 I176K51-F61 HydrophobicContact CB-CE2 4.41Å; K51-F61 HydrophobicContact CB-CZ 3.86Å; K51-F61 HydrophobicContact CG-CZ 3.96Å; K54-F61 HydrophobicContact CD-CD1 4.03Å; K54-F61 HydrophobicContact CD-CE1 3.75Å; K54-F61 HydrophobicContact CD-CZ 4.22Å; I55-F61 HydrophobicContact CD1-CD2 4.37Å; I55-F61 HydrophobicContact CD1-CE2 3.86Å; I55-F61 HydrophobicContact CG1-CD2 3.98Å; I55-F61 HydrophobicContact CG1-CE2 3.65Å; F61-D65 HydrophobicContact CB-CB 4.02Å; F61-D65 HydrophobicContact CD1-CB 3.99Å; F61-N66 WeakPolarHBondContact CB-OD1 3.47Å; F61-Y69 HydrophobicContact CD1-CE2 4.02Å; F61-Y69 AromaticContact CE1-CE2 3.87Å; F61-Y69 HydrophobicContact CE1-CE2 3.87Å; F61-E173 HydrophobicContact CD2-CG 4.35Å; F61-I176 HydrophobicContact CB-CD1 3.88Å; F61-I176 HydrophobicContact CD1-CD1 4.24Å; F61-I176 HydrophobicContact CD1-CG2 4.23Å; F61-I176 HydrophobicContact CD2-CD1 4.01Å; F61-I176 HydrophobicContact CD2-CG2 4.14Å; F61-I176 HydrophobicContact CE1-CG2 3.84Å; F61-I176 HydrophobicContact CE2-CB 4.45Å; F61-I176 HydrophobicContact CE2-CG2 3.74Å; F61-I176 HydrophobicContact CG-CD1 3.78Å; F61-I176 HydrophobicContact CG-CG2 4.38Å; F61-I176 HydrophobicContact CZ-CG2 3.59Å
62T94.1Very high94.8Very high80 Ų8054.3 Ų54.349%0.49129%0.285SS..  trans-72.9163.9174.766.60000111E64 D65 N66T62-E64 PolarHBondContact O-N 3.04Å; T62-D65 PolarHBondContact N-OD2 3.3Å; T62-D65 WeakPolarHBondContact O-CB 3.3Å; T62-D65 PolarHBondContact O-N 3.39Å; T62-D65 VanDerWaalsContact O-N 3.11Å; T62-D65 PolarHBondContact OG1-N 3.44Å; T62-D65 VanDerWaalsContact OG1-N 3.16Å; T62-D65 PolarHBondContact OG1-OD2 3.06Å; T62-N66 VanDerWaalsContact O-CG 3.26Å; T62-N66 PolarHBondContact O-N 2.76Å; T62-N66 PolarHBondContact O-OD1 2.92Å
63Q92.5Very high94.8Very high153 Ų15354.3 Ų54.372%0.71529%0.285SS*.Hα-helixtrans-58.8-30.7174.1-69.2-171.81.900112.9N66 K67Q63-N66 PolarHBondContact O-N 3.46Å; Q63-K67 WeakPolarHBondContact O-CG 3.43Å; Q63-K67 PolarHBondContact O-N 3.11Å; Q63-K67 VanDerWaalsContact O-N 3.16Å
64E93.2Very high95Very high100 Ų10054.5 Ų54.547%0.46729%0.286SS..Hα-helixtrans-73.9-38.5177.1-165.156.2-147.700111.5T62 N66 K67 Q68T62-E64 PolarHBondContact O-N 3.04Å; E64-N66 VanDerWaalsContact C-N 3.32Å; E64-N66 PolarHBondContact O-N 2.95Å; E64-K67 PolarHBondContact O-N 3.3Å; E64-K67 WeakPolarHBondContact OE2-CD 3.31Å; E64-K67 IonicContact OE2-NZ 3.4Å; E64-K67 PolarHBondContact OE2-NZ 2.82Å; E64-Q68 WeakPolarHBondContact O-CG 3.34Å; E64-Q68 PolarHBondContact O-N 3.46Å
65D92.5Very high95.2Very high31 Ų3153 Ų5317%0.16628%0.281CS..Hα-helixtrans-57.7-46.7169.4-64.8-55.1000110.6K54 F61 T62 K67 Q68 Y69K54-D65 VanDerWaalsContact NZ-CG 3.25Å; K54-D65 IonicContact NZ-OD1 3.03Å; K54-D65 PolarHBondContact NZ-OD1 3.25Å; K54-D65 IonicContact NZ-OD2 3.37Å; K54-D65 PolarHBondContact NZ-OD2 3.47Å; F61-D65 HydrophobicContact CB-CB 4.02Å; F61-D65 HydrophobicContact CD1-CB 3.99Å; T62-D65 PolarHBondContact N-OD2 3.3Å; T62-D65 WeakPolarHBondContact O-CB 3.3Å; T62-D65 PolarHBondContact O-N 3.39Å; T62-D65 VanDerWaalsContact O-N 3.11Å; T62-D65 PolarHBondContact OG1-N 3.44Å; T62-D65 VanDerWaalsContact OG1-N 3.16Å; T62-D65 PolarHBondContact OG1-OD2 3.06Å; D65-K67 VanDerWaalsContact C-N 3.3Å; D65-K67 PolarHBondContact O-N 3.48Å; D65-Q68 WeakPolarHBondContact O-CB 3.29Å; D65-Q68 PolarHBondContact O-N 3.39Å; D65-Y69 VanDerWaalsContact O-CD2 3.27Å; D65-Y69 WeakPolarHBondContact O-CD2 3.42Å; D65-Y69 PolarHBondContact O-N 2.8Å; D65-Y69 VanDerWaalsContact O-N 3.14Å
66N94Very high95.3Very high22 Ų2252.5 Ų52.512%0.11828%0.279CS..Hα-helixtrans-59.9-40.5-178.4-62.5-3.1000111.7F61 T62 Q63 E64 Q68 Y69 K70 M170 P171 I176F61-N66 WeakPolarHBondContact CB-OD1 3.47Å; T62-N66 VanDerWaalsContact O-CG 3.26Å; T62-N66 PolarHBondContact O-N 2.76Å; T62-N66 PolarHBondContact O-OD1 2.92Å; Q63-N66 PolarHBondContact O-N 3.46Å; E64-N66 VanDerWaalsContact C-N 3.32Å; E64-N66 PolarHBondContact O-N 2.95Å; N66-Q68 VanDerWaalsContact C-N 3.3Å; N66-Q68 PolarHBondContact O-N 3.06Å; N66-Y69 PolarHBondContact O-N 3.36Å; N66-K70 PolarHBondContact O-N 2.8Å; N66-M170 HydrophobicContact CB-CG 3.96Å; N66-M170 HydrophobicContact CB-SD 3.74Å; N66-P171 PolarHBondContact ND2-O 2.86Å; N66-P171 WeakPolarHBondContact O-CD 3.45Å; N66-P171 WeakPolarHBondContact O-CG 3.44Å; N66-I176 WeakPolarHBondContact OD1-CD1 3.2Å
67K94.8Very high95.5Very high100 Ų10050.9 Ų50.944%0.43527%0.271SS..Hα-helixtrans-61.3-37.5174.5-72.3175.5-162.4160.50112.5Q63 E64 D65 Y69 K70 P71 M170Q63-K67 WeakPolarHBondContact O-CG 3.43Å; Q63-K67 PolarHBondContact O-N 3.11Å; Q63-K67 VanDerWaalsContact O-N 3.16Å; E64-K67 PolarHBondContact O-N 3.3Å; E64-K67 WeakPolarHBondContact OE2-CD 3.31Å; E64-K67 IonicContact OE2-NZ 3.4Å; E64-K67 PolarHBondContact OE2-NZ 2.82Å; D65-K67 VanDerWaalsContact C-N 3.3Å; D65-K67 PolarHBondContact O-N 3.48Å; K67-Y69 VanDerWaalsContact C-N 3.31Å; K67-Y69 PolarHBondContact O-N 2.96Å; K67-K70 WeakPolarHBondContact O-CB 3.48Å; K67-K70 PolarHBondContact O-N 3.34Å; K67-P71 VanDerWaalsContact O-CD 3.27Å; K67-P71 WeakPolarHBondContact O-CD 3.5Å; K67-M170 HydrophobicContact CG-CE 3.92Å; K67-M170 HydrophobicContact CG-SD 4.05Å
68Q96.1Very high95.7Very high126 Ų12648.6 Ų48.659%0.58926%0.26SS*.Hα-helixtrans-69.5-29.1178.7-66.4175.724.800112.6E64 D65 N66E64-Q68 WeakPolarHBondContact O-CG 3.34Å; E64-Q68 PolarHBondContact O-N 3.46Å; D65-Q68 WeakPolarHBondContact O-CB 3.29Å; D65-Q68 PolarHBondContact O-N 3.39Å; N66-Q68 VanDerWaalsContact C-N 3.3Å; N66-Q68 PolarHBondContact O-N 3.06Å
69Y97.5Very high96.1Very high56 Ų5648.7 Ų48.722%0.2226%0.261CS..Hα-helixtrans-80.3-18.6174.5-78.1-72.7000113.9F61 D65 N66 K67 V72 V73 I176 T179F61-Y69 HydrophobicContact CD1-CE2 4.02Å; F61-Y69 AromaticContact CE1-CE2 3.87Å; F61-Y69 HydrophobicContact CE1-CE2 3.87Å; D65-Y69 VanDerWaalsContact O-CD2 3.27Å; D65-Y69 WeakPolarHBondContact O-CD2 3.42Å; D65-Y69 PolarHBondContact O-N 2.8Å; D65-Y69 VanDerWaalsContact O-N 3.14Å; N66-Y69 PolarHBondContact O-N 3.36Å; K67-Y69 VanDerWaalsContact C-N 3.31Å; K67-Y69 PolarHBondContact O-N 2.96Å; Y69-V72 WeakPolarHBondContact O-CA 3.48Å; Y69-V72 WeakPolarHBondContact O-CB 3.39Å; Y69-V72 PolarHBondContact O-N 2.85Å; Y69-V73 PolarHBondContact O-N 2.84Å; Y69-I176 HydrophobicContact CD1-CG2 4.15Å; Y69-I176 HydrophobicContact CD2-CB 4.41Å; Y69-I176 HydrophobicContact CD2-CD1 3.88Å; Y69-I176 HydrophobicContact CD2-CG1 3.8Å; Y69-I176 HydrophobicContact CD2-CG2 3.75Å; Y69-I176 HydrophobicContact CE1-CG2 4.06Å; Y69-I176 HydrophobicContact CE2-CG2 3.65Å; Y69-I176 HydrophobicContact CG-CB 4.43Å; Y69-I176 HydrophobicContact CG-CD1 4.39Å; Y69-I176 HydrophobicContact CG-CG1 3.84Å; Y69-I176 HydrophobicContact CG-CG2 4.01Å; Y69-T179 HydrophobicContact CD1-CG2 4.35Å
70K97.5Very high96.4Very high39 Ų3945.2 Ų45.217%0.1722%0.224CC..Hα-helixtrans-56.9-48.3-177.2-176.4173.5-1791720113N66 K67 V72 V73 Y74 Y169 P171N66-K70 PolarHBondContact O-N 2.8Å; K67-K70 WeakPolarHBondContact O-CB 3.48Å; K67-K70 PolarHBondContact O-N 3.34Å; K70-V72 VanDerWaalsContact C-N 3.25Å; K70-V72 PolarHBondContact O-N 2.83Å; K70-V73 PolarHBondContact O-N 3.18Å; K70-Y74 HydrophobicContact CD-CE2 4.19Å; K70-Y74 WeakPolarHBondContact CE-OH 3.47Å; K70-Y74 HydrophobicContact CG-CD2 4.22Å; K70-Y74 HydrophobicContact CG-CE2 3.54Å; K70-Y74 WeakPolarHBondContact O-CD2 3.46Å; K70-Y74 PolarHBondContact O-N 2.92Å; K70-Y169 HydrophobicContact CD-CD1 4.44Å; K70-Y169 VanDerWaalsContact CE-O 3.25Å; K70-Y169 WeakPolarHBondContact CE-O 3.39Å; K70-Y169 HydrophobicContact CG-CD1 4.26Å; K70-Y169 HydrophobicContact CG-CE1 4.25Å; K70-Y169 PolarHBondContact NZ-O 3.17Å; K70-P171 HydrophobicContact CB-CG 3.75Å; K70-P171 HydrophobicContact CG-CG 4.37Å
71P98.1Very high96.6Very high51 Ų5145 Ų4533%0.33122%0.222SC..Hα-helixtrans-57.2-34.9172.3-27.636.7000114.4K67 S75 T118K67-P71 VanDerWaalsContact O-CD 3.27Å; K67-P71 WeakPolarHBondContact O-CD 3.5Å; P71-S75 WeakPolarHBondContact O-CB 3.34Å; P71-S75 PolarHBondContact O-N 2.84Å; P71-T118 WeakPolarHBondContact CA-O 3.19Å
72V98.1Very high96.8Very high35 Ų3544.2 Ų44.221%0.21222%0.219CC..Hα-helixtrans-70.8-41.4-179.2-175.30000110.8Y69 K70 S75 N76 T179 V181Y69-V72 WeakPolarHBondContact O-CA 3.48Å; Y69-V72 WeakPolarHBondContact O-CB 3.39Å; Y69-V72 PolarHBondContact O-N 2.85Å; K70-V72 VanDerWaalsContact C-N 3.25Å; K70-V72 PolarHBondContact O-N 2.83Å; V72-S75 PolarHBondContact O-N 2.89Å; V72-N76 VanDerWaalsContact O-CB 3.31Å; V72-N76 WeakPolarHBondContact O-CB 3.4Å; V72-N76 PolarHBondContact O-N 2.82Å; V72-N76 PolarHBondContact O-ND2 3.13Å; V72-N76 PolarHBondContact O-OD1 2.85Å; V72-T179 HydrophobicContact CB-CG2 4.31Å; V72-T179 HydrophobicContact CG1-CG2 3.99Å; V72-V181 HydrophobicContact CG1-CG2 3.64Å; V72-V181 HydrophobicContact CG2-CG2 4.44Å
73V98.4Very high97Very high0 Ų041.6 Ų41.60%021%0.206CC..Hα-helixtrans-58.4-51.9174.8174.40000110Y69 K70 S75 N76 T77 F157 L164 Y169 P171 D175 T179Y69-V73 PolarHBondContact O-N 2.84Å; K70-V73 PolarHBondContact O-N 3.18Å; V73-S75 VanDerWaalsContact C-N 3.34Å; V73-S75 PolarHBondContact O-N 3.33Å; V73-N76 PolarHBondContact O-N 3.32Å; V73-T77 PolarHBondContact O-N 2.84Å; V73-T77 PolarHBondContact O-OG1 2.85Å; V73-F157 HydrophobicContact CG1-CD1 3.93Å; V73-F157 HydrophobicContact CG1-CE1 3.68Å; V73-F157 HydrophobicContact CG1-CZ 4.24Å; V73-F157 HydrophobicContact CG2-CE1 4.35Å; V73-F157 HydrophobicContact CG2-CZ 4.43Å; V73-L164 HydrophobicContact CG1-CD2 3.8Å; V73-L164 HydrophobicContact CG1-CG 4.19Å; V73-Y169 HydrophobicContact CG1-CE1 4.33Å; V73-P171 HydrophobicContact CG2-CB 4.41Å; V73-P171 HydrophobicContact CG2-CG 4.24Å; V73-D175 HydrophobicContact CG2-CB 4.08Å; V73-T179 HydrophobicContact CG2-CG2 3.59Å
74Y98.5Very high97.3Very high4 Ų434.3 Ų34.32%0.01617%0.172CC..Hα-helixtrans-55.7-48.9178.8-63.4-38.2000112.4K70 N76 T77 I78 D117 K119 P120 F121 L164 Y169K70-Y74 HydrophobicContact CD-CE2 4.19Å; K70-Y74 WeakPolarHBondContact CE-OH 3.47Å; K70-Y74 HydrophobicContact CG-CD2 4.22Å; K70-Y74 HydrophobicContact CG-CE2 3.54Å; K70-Y74 WeakPolarHBondContact O-CD2 3.46Å; K70-Y74 PolarHBondContact O-N 2.92Å; Y74-N76 PolarHBondContact O-N 2.87Å; Y74-T77 PolarHBondContact O-N 2.8Å; Y74-I78 WeakPolarHBondContact O-CG1 3.39Å; Y74-I78 PolarHBondContact O-N 2.97Å; Y74-D117 CarbonylContact C-O 3.48Å; Y74-D117 WeakPolarHBondContact CB-O 3.24Å; Y74-K119 WeakPolarHBondContact CD2-O 3.45Å; Y74-P120 HydrophobicContact CE2-CB 4.14Å; Y74-P120 HydrophobicContact CE2-CG 4Å; Y74-F121 HydrophobicContact CD1-CD1 4.1Å; Y74-F121 AromaticContact CD1-CE1 3.52Å; Y74-F121 HydrophobicContact CD1-CE1 3.52Å; Y74-F121 HydrophobicContact CD1-CE2 4.34Å; Y74-F121 AromaticContact CD1-CZ 3.67Å; Y74-F121 HydrophobicContact CD1-CZ 3.67Å; Y74-F121 HydrophobicContact CE1-CE1 4.27Å; Y74-F121 HydrophobicContact CE1-CZ 4.28Å; Y74-F121 HydrophobicContact CG-CE1 4.08Å; Y74-L164 WeakPolarHBondContact CE1-O 3.45Å; Y74-Y169 AromaticContact CE1-CD1 3.8Å; Y74-Y169 HydrophobicContact CE1-CD1 3.8Å; Y74-Y169 HydrophobicContact CE1-CE1 4.02Å; Y74-Y169 AromaticContact CZ-CD1 3.81Å; Y74-Y169 WeakPolarHBondContact OH-CD1 3.34Å
75S98.3Very high97.6Very high17 Ų1729.9 Ų29.912%0.11915%0.151CC..Hα-helixtrans-63.7-43.1-179.3-179.80000111.5P71 V72 V73 T77 Q79 D117P71-S75 WeakPolarHBondContact O-CB 3.34Å; P71-S75 PolarHBondContact O-N 2.84Å; V72-S75 PolarHBondContact O-N 2.89Å; V73-S75 VanDerWaalsContact C-N 3.34Å; V73-S75 PolarHBondContact O-N 3.33Å; S75-T77 VanDerWaalsContact C-N 3.35Å; S75-T77 PolarHBondContact O-N 3.34Å; S75-Q79 WeakPolarHBondContact O-CB 3.37Å; S75-Q79 VanDerWaalsContact O-CG 3.22Å; S75-Q79 WeakPolarHBondContact O-CG 3.45Å; S75-Q79 PolarHBondContact O-N 3.46Å; S75-Q79 PolarHBondContact OG-NE2 3.38Å; S75-D117 WeakPolarHBondContact CA-O 3.48Å; S75-D117 WeakPolarHBondContact CB-OD2 3.45Å; S75-D117 PolarHBondContact N-O 3.31Å; S75-D117 PolarHBondContact OG-OD2 2.8Å
76N98.5Very high97.8Very high14 Ų1435.9 Ų35.98%0.07517%0.171CC..Hα-helixtrans-63.1-39.1177-70.5175.2000112.5V72 V73 Y74 S80 F157 T179 R180V72-N76 VanDerWaalsContact O-CB 3.31Å; V72-N76 WeakPolarHBondContact O-CB 3.4Å; V72-N76 PolarHBondContact O-N 2.82Å; V72-N76 PolarHBondContact O-ND2 3.13Å; V72-N76 PolarHBondContact O-OD1 2.85Å; V73-N76 PolarHBondContact O-N 3.32Å; Y74-N76 PolarHBondContact O-N 2.87Å; N76-S80 VanDerWaalsContact O-CB 3.28Å; N76-S80 WeakPolarHBondContact O-CB 3.36Å; N76-S80 PolarHBondContact O-N 3.47Å; N76-S80 PolarHBondContact O-OG 2.85Å; N76-F157 HydrophobicContact CB-CE2 4.49Å; N76-T179 WeakPolarHBondContact OD1-CA 3.42Å; N76-R180 PolarHBondContact ND2-O 3.46Å; N76-R180 VanDerWaalsContact ND2-O 3.15Å; N76-R180 PolarHBondContact OD1-N 2.98Å; N76-R180 PolarHBondContact OD1-O 3Å
77T98.7Very high98Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-66.5-52.7177.9-55.20000111.2V73 Y74 S75 Q79 S80 M81 F121 F157 L158 L161 L164V73-T77 PolarHBondContact O-N 2.84Å; V73-T77 PolarHBondContact O-OG1 2.85Å; Y74-T77 PolarHBondContact O-N 2.8Å; S75-T77 VanDerWaalsContact C-N 3.35Å; S75-T77 PolarHBondContact O-N 3.34Å; T77-Q79 PolarHBondContact O-N 3.36Å; T77-S80 WeakPolarHBondContact O-CB 3.29Å; T77-S80 PolarHBondContact O-N 2.88Å; T77-M81 PolarHBondContact O-N 2.87Å; T77-F121 HydrophobicContact CG2-CZ 4.13Å; T77-F157 HydrophobicContact CG2-CB 4.05Å; T77-F157 VanDerWaalsContact OG1-CB 3.29Å; T77-F157 WeakPolarHBondContact OG1-CB 3.5Å; T77-L158 HydrophobicContact CG2-CD2 3.9Å; T77-L161 HydrophobicContact CG2-CD2 3.85Å; T77-L164 HydrophobicContact CG2-CD2 4.15Å; T77-L164 WeakPolarHBondContact OG1-CD2 3.25Å
78I98.6Very high98.2Very high0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-65.2-44.2-177.4-63.6166.8000110.5Y74 S80 M81 V82 V108 V111 I112 D117 F121 L125 M129Y74-I78 WeakPolarHBondContact O-CG1 3.39Å; Y74-I78 PolarHBondContact O-N 2.97Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 2.74Å; I78-M81 WeakPolarHBondContact O-CB 3.35Å; I78-M81 PolarHBondContact O-N 3.25Å; I78-V82 PolarHBondContact O-N 2.99Å; I78-V108 HydrophobicContact CG2-CG1 4.16Å; I78-V111 HydrophobicContact CD1-CG1 4.16Å; I78-I112 HydrophobicContact CG2-CD1 3.84Å; I78-I112 HydrophobicContact CG2-CG1 3.8Å; I78-D117 HydrophobicContact CB-CB 4.19Å; I78-D117 HydrophobicContact CD1-CB 3.95Å; I78-D117 HydrophobicContact CG2-CB 4.11Å; I78-F121 HydrophobicContact CD1-CD1 4.05Å; I78-F121 HydrophobicContact CD1-CE1 3.69Å; I78-F121 HydrophobicContact CG1-CD1 4.48Å; I78-F121 HydrophobicContact CG1-CE1 3.82Å; I78-L125 HydrophobicContact CD1-CD2 3.95Å; I78-M129 HydrophobicContact CG1-SD 3.98Å
79Q98.1Very high98.2Very high93 Ų9330.8 Ų30.844%0.43515%0.154SC..Hα-helixtrans-65.5-31.5177.4-70-173.923.900112.7S75 T77 V82 A83 I112 D117S75-Q79 WeakPolarHBondContact O-CB 3.37Å; S75-Q79 VanDerWaalsContact O-CG 3.22Å; S75-Q79 WeakPolarHBondContact O-CG 3.45Å; S75-Q79 PolarHBondContact O-N 3.46Å; S75-Q79 PolarHBondContact OG-NE2 3.38Å; T77-Q79 PolarHBondContact O-N 3.36Å; Q79-V82 PolarHBondContact O-N 2.97Å; Q79-A83 WeakPolarHBondContact O-CB 3.35Å; Q79-A83 PolarHBondContact O-N 2.8Å; Q79-I112 HydrophobicContact CG-CD1 3.8Å; Q79-D117 PolarHBondContact NE2-OD2 3.26Å
80S98.6Very high98.2Very high2 Ų233.9 Ų33.91%0.01418%0.178CC..Hα-helixtrans-66.1-42.5173.3-61.40000111.3N76 T77 I78 A83 I84 L150N76-S80 VanDerWaalsContact O-CB 3.28Å; N76-S80 WeakPolarHBondContact O-CB 3.36Å; N76-S80 PolarHBondContact O-N 3.47Å; N76-S80 PolarHBondContact O-OG 2.85Å; T77-S80 WeakPolarHBondContact O-CB 3.29Å; T77-S80 PolarHBondContact O-N 2.88Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 2.74Å; S80-A83 PolarHBondContact O-N 3.15Å; S80-I84 WeakPolarHBondContact O-CG1 3.28Å; S80-I84 PolarHBondContact O-N 2.9Å; S80-I84 VanDerWaalsContact O-N 3.17Å; S80-L150 WeakPolarHBondContact O-CD1 3.44Å
81M98.8Very high98.2Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-59.4-48.9172.8-176.959.578.700111.1T77 I78 A83 I84 L85 V108 M129 L132 W133 L158T77-M81 PolarHBondContact O-N 2.87Å; I78-M81 WeakPolarHBondContact O-CB 3.35Å; I78-M81 PolarHBondContact O-N 3.25Å; M81-A83 VanDerWaalsContact C-N 3.29Å; M81-A83 PolarHBondContact O-N 2.63Å; M81-I84 PolarHBondContact O-N 2.8Å; M81-I84 VanDerWaalsContact O-N 3.1Å; M81-L85 HydrophobicContact CG-CD1 4.08Å; M81-L85 HydrophobicContact CG-CG 4.38Å; M81-L85 WeakPolarHBondContact O-CG 3.4Å; M81-L85 PolarHBondContact O-N 3.13Å; M81-L85 HydrophobicContact SD-CG 4.42Å; M81-V108 HydrophobicContact CB-CG1 4.35Å; M81-V108 HydrophobicContact CG-CG1 4.02Å; M81-V108 HydrophobicContact CG-CG2 4.42Å; M81-M129 HydrophobicContact CE-CB 4.39Å; M81-M129 WeakPolarHBondContact CE-O 3.5Å; M81-L132 HydrophobicContact CE-CB 3.83Å; M81-L132 HydrophobicContact CG-CD1 4.28Å; M81-L132 HydrophobicContact SD-CB 3.91Å; M81-L132 HydrophobicContact SD-CD1 4.21Å; M81-W133 HydrophobicContact CE-CB 4.07Å; M81-L158 HydrophobicContact CB-CD2 4.4Å; M81-L158 HydrophobicContact CE-CD2 3.8Å
82V98.4Very high98.2Very high5 Ų534.7 Ų34.73%0.0320%0.197CC..Hα-helixtrans-62-35.8178.5170.70000112.8I78 Q79 I84 L85 R86 V108 I112I78-V82 PolarHBondContact O-N 2.99Å; Q79-V82 PolarHBondContact O-N 2.97Å; V82-I84 VanDerWaalsContact C-N 3.33Å; V82-L85 PolarHBondContact O-N 2.93Å; V82-R86 HydrophobicContact CG1-CG 4.27Å; V82-R86 VanDerWaalsContact CG1-CZ 3.47Å; V82-R86 WeakPolarHBondContact O-CB 3.48Å; V82-R86 VanDerWaalsContact O-CG 3.31Å; V82-R86 WeakPolarHBondContact O-CG 3.38Å; V82-R86 PolarHBondContact O-N 2.92Å; V82-V108 HydrophobicContact CG2-CG1 3.6Å; V82-I112 HydrophobicContact CG2-CG1 3.92Å
83A98.3Very high98.2Very high25 Ų2533.7 Ų33.721%0.20719%0.19CC..Hα-helixtrans-60.8-43.6174.400000111.5Q79 S80 M81 A87 L150Q79-A83 WeakPolarHBondContact O-CB 3.35Å; Q79-A83 PolarHBondContact O-N 2.8Å; S80-A83 PolarHBondContact O-N 3.15Å; M81-A83 VanDerWaalsContact C-N 3.29Å; M81-A83 PolarHBondContact O-N 2.63Å; A83-A87 WeakPolarHBondContact O-CB 3.38Å; A83-A87 PolarHBondContact O-N 3.03Å; A83-L150 HydrophobicContact CB-CD1 3.97Å
84I98.7Very high98.2Very high0 Ų041 Ų410%022%0.224CC..Hα-helixtrans-64.1-48.4175.9-59.8163.1000110.5S80 M81 V82 R86 A87 M88 W133 V138 C141 F142 Y148 L150 L158S80-I84 WeakPolarHBondContact O-CG1 3.28Å; S80-I84 PolarHBondContact O-N 2.9Å; S80-I84 VanDerWaalsContact O-N 3.17Å; M81-I84 PolarHBondContact O-N 2.8Å; M81-I84 VanDerWaalsContact O-N 3.1Å; V82-I84 VanDerWaalsContact C-N 3.33Å; I84-R86 VanDerWaalsContact C-N 3.31Å; I84-R86 PolarHBondContact O-N 3.42Å; I84-A87 CarbonylContact O-C 3.59Å; I84-A87 WeakPolarHBondContact O-CA 3.49Å; I84-A87 WeakPolarHBondContact O-CB 3.39Å; I84-A87 PolarHBondContact O-N 2.7Å; I84-M88 WeakPolarHBondContact O-CG 3.38Å; I84-M88 PolarHBondContact O-N 3.36Å; I84-W133 HydrophobicContact CD1-CZ3 3.88Å; I84-V138 HydrophobicContact CG2-CG1 3.91Å; I84-C141 HydrophobicContact CG2-CB 4.02Å; I84-F142 HydrophobicContact CD1-CD2 4.11Å; I84-Y148 HydrophobicContact CG1-CE2 4.31Å; I84-L150 HydrophobicContact CD1-CD1 4.32Å; I84-L150 HydrophobicContact CD1-CD2 4.25Å; I84-L150 HydrophobicContact CG1-CD1 3.89Å; I84-L150 HydrophobicContact CG1-CD2 4.01Å; I84-L158 HydrophobicContact CD1-CD1 3.87Å
85L98.5Very high98.2Very high8 Ų842.7 Ų42.74%0.04223%0.232CC..Hα-helixtrans-60.1-38.7179.7-64173.9000112.8M81 V82 M88 N89 F95 A105 V108 L132 V138M81-L85 HydrophobicContact CG-CD1 4.08Å; M81-L85 HydrophobicContact CG-CG 4.38Å; M81-L85 WeakPolarHBondContact O-CG 3.4Å; M81-L85 PolarHBondContact O-N 3.13Å; M81-L85 HydrophobicContact SD-CG 4.42Å; V82-L85 PolarHBondContact O-N 2.93Å; L85-M88 HydrophobicContact CD2-SD 4.2Å; L85-M88 PolarHBondContact O-N 2.92Å; L85-N89 PolarHBondContact O-N 3.12Å; L85-N89 PolarHBondContact O-ND2 3.21Å; L85-F95 HydrophobicContact CD2-CE1 3.69Å; L85-F95 HydrophobicContact CD2-CZ 3.93Å; L85-A105 HydrophobicContact CD1-CB 3.95Å; L85-A105 HydrophobicContact CD2-CB 4.09Å; L85-V108 HydrophobicContact CD1-CB 4.37Å; L85-V108 HydrophobicContact CD1-CG1 4.37Å; L85-L132 HydrophobicContact CD1-CD1 4.19Å; L85-L132 HydrophobicContact CD2-CD1 4.38Å; L85-L132 HydrophobicContact CD2-CD2 4.02Å; L85-V138 HydrophobicContact CD2-CG2 4.43Å
86R97.9Very high98.2Very high156 Ų15644.2 Ų44.259%0.58925%0.25SC*.Hα-helixtrans-68.5-38.2174.2-73175-179.4163.82.9112V82 I84 N89 T90V82-R86 HydrophobicContact CG1-CG 4.27Å; V82-R86 VanDerWaalsContact CG1-CZ 3.47Å; V82-R86 WeakPolarHBondContact O-CB 3.48Å; V82-R86 VanDerWaalsContact O-CG 3.31Å; V82-R86 WeakPolarHBondContact O-CG 3.38Å; V82-R86 PolarHBondContact O-N 2.92Å; I84-R86 VanDerWaalsContact C-N 3.31Å; I84-R86 PolarHBondContact O-N 3.42Å; R86-N89 PolarHBondContact O-N 3.07Å; R86-T90 PolarHBondContact O-N 3.21Å; R86-T90 PolarHBondContact O-OG1 2.83Å
87A98.3Very high98.1Very high5 Ų547.5 Ų47.54%0.04127%0.268CS..Hα-helixtrans-66.2-37.3175.700000111.7A83 I84 N89 T90 L91 Y148A83-A87 WeakPolarHBondContact O-CB 3.38Å; A83-A87 PolarHBondContact O-N 3.03Å; I84-A87 CarbonylContact O-C 3.59Å; I84-A87 WeakPolarHBondContact O-CA 3.49Å; I84-A87 WeakPolarHBondContact O-CB 3.39Å; I84-A87 PolarHBondContact O-N 2.7Å; A87-N89 VanDerWaalsContact C-N 3.32Å; A87-N89 PolarHBondContact O-N 3.29Å; A87-T90 PolarHBondContact O-N 3.15Å; A87-L91 WeakPolarHBondContact O-CB 3.29Å; A87-L91 VanDerWaalsContact O-CG 3.28Å; A87-L91 WeakPolarHBondContact O-CG 3.35Å; A87-L91 PolarHBondContact O-N 2.85Å; A87-Y148 HydrophobicContact CB-CD1 3.43Å; A87-Y148 VanDerWaalsContact CB-CD1 3.43Å; A87-Y148 HydrophobicContact CB-CD2 3.56Å; A87-Y148 HydrophobicContact CB-CE1 3.57Å; A87-Y148 HydrophobicContact CB-CE2 3.71Å; A87-Y148 HydrophobicContact CB-CG 3.42Å; A87-Y148 VanDerWaalsContact CB-CG 3.42Å
88M98.4Very high98Very high2 Ų251 Ų511%0.0129%0.292CS..Hα-helixtrans-54.5-48.3173.9-71.9178.87300111.6I84 L85 T90 L91 G92 I93 F95 V138 C141I84-M88 WeakPolarHBondContact O-CG 3.38Å; I84-M88 PolarHBondContact O-N 3.36Å; L85-M88 HydrophobicContact CD2-SD 4.2Å; L85-M88 PolarHBondContact O-N 2.92Å; M88-T90 VanDerWaalsContact C-N 3.31Å; M88-T90 PolarHBondContact O-N 2.94Å; M88-L91 PolarHBondContact O-N 3.35Å; M88-G92 PolarHBondContact O-N 3.5Å; M88-I93 HydrophobicContact CB-CB 4.41Å; M88-I93 HydrophobicContact CE-CG2 4.21Å; M88-I93 HydrophobicContact CG-CB 4.43Å; M88-I93 PolarHBondContact O-N 2.78Å; M88-F95 HydrophobicContact CE-CD1 3.54Å; M88-F95 HydrophobicContact CE-CE1 3.68Å; M88-F95 HydrophobicContact CE-CG 4.11Å; M88-F95 HydrophobicContact CE-CZ 4.34Å; M88-F95 HydrophobicContact SD-CD1 4.22Å; M88-F95 HydrophobicContact SD-CE1 3.79Å; M88-F95 HydrophobicContact SD-CZ 4.44Å; M88-V138 HydrophobicContact CE-CG2 4.19Å; M88-V138 HydrophobicContact SD-CB 4.31Å; M88-V138 HydrophobicContact SD-CG2 3.6Å; M88-C141 HydrophobicContact CG-CB 3.45Å; M88-C141 VanDerWaalsContact CG-CB 3.45Å; M88-C141 VanDerWaalsContact CG-SG 3.56Å; M88-C141 PolarHBondContact N-SG 2.91Å; M88-C141 VanDerWaalsContact N-SG 3.44Å; M88-C141 HydrophobicContact SD-CB 4.46Å
89N96.6Very high97.9Very high135 Ų13559.2 Ų59.272%0.72233%0.33SS*.Hα-helixtrans-60.4-40.5176.1-70.4-42.1000112.5L85 R86 A87L85-N89 PolarHBondContact O-N 3.12Å; L85-N89 PolarHBondContact O-ND2 3.21Å; R86-N89 PolarHBondContact O-N 3.07Å; A87-N89 VanDerWaalsContact C-N 3.32Å; A87-N89 PolarHBondContact O-N 3.29Å
90T96.9Very high97.9Very high120 Ų12058.2 Ų58.274%0.73633%0.326SS*.Hα-helixtrans-71.5-37.1-178.6-54.10000112R86 A87 M88R86-T90 PolarHBondContact O-N 3.21Å; R86-T90 PolarHBondContact O-OG1 2.83Å; A87-T90 PolarHBondContact O-N 3.15Å; M88-T90 VanDerWaalsContact C-N 3.31Å; M88-T90 PolarHBondContact O-N 2.94Å
91L97.8Very high97.9Very high43 Ų4358.3 Ų58.323%0.22533%0.327CS..Hα-helixtrans-89.6-4.1-178-60.4-179.8000113.2A87 M88 I93 R144 Y148A87-L91 WeakPolarHBondContact O-CB 3.29Å; A87-L91 VanDerWaalsContact O-CG 3.28Å; A87-L91 WeakPolarHBondContact O-CG 3.35Å; A87-L91 PolarHBondContact O-N 2.85Å; M88-L91 PolarHBondContact O-N 3.35Å; L91-I93 VanDerWaalsContact C-N 3.35Å; L91-I93 HydrophobicContact CB-CD1 3.9Å; L91-I93 HydrophobicContact CB-CG1 3.98Å; L91-I93 HydrophobicContact CD1-CD1 4.1Å; L91-R144 HydrophobicContact CD1-CB 4.23Å; L91-Y148 HydrophobicContact CD1-CD1 4.27Å; L91-Y148 HydrophobicContact CD1-CE1 4.35Å
92G97.7Very high97.8Very high64 Ų6460.8 Ų60.866%0.6635%0.347SS*.THydrogen-bonded Turntrans69.528.6-178.900000114M88M88-G92 PolarHBondContact O-N 3.5Å
93I98.3Very high97.8Very high15 Ų1564.3 Ų64.38%0.07736%0.363CS..PPolyproline II helixtrans-90.4126.4-179.8-57.8171.4000108.8M88 L91 G137 E140 C141M88-I93 HydrophobicContact CB-CB 4.41Å; M88-I93 HydrophobicContact CE-CG2 4.21Å; M88-I93 HydrophobicContact CG-CB 4.43Å; M88-I93 PolarHBondContact O-N 2.78Å; L91-I93 VanDerWaalsContact C-N 3.35Å; L91-I93 HydrophobicContact CB-CD1 3.9Å; L91-I93 HydrophobicContact CB-CG1 3.98Å; L91-I93 HydrophobicContact CD1-CD1 4.1Å; I93-G137 WeakPolarHBondContact CG2-O 3.39Å; I93-E140 HydrophobicContact CD1-CG 4.41Å; I93-E140 HydrophobicContact CG2-CB 4.36Å; I93-E140 HydrophobicContact CG2-CG 4.49Å; I93-C141 HydrophobicContact CD1-CB 3.69Å
94Q98.1Very high97.9Very high152 Ų15263.2 Ų63.271%0.7135%0.354SS*.PPolyproline II helixtrans-89.2153.1178-61.4-177.816.500110.6G137Q94-G137 WeakPolarHBondContact O-CA 3.3Å
95F98.6Very high97.8Very high41 Ų4163.9 Ų63.918%0.1836%0.36CS..PPolyproline II helixtrans-62.3146.7168.2-61.5-71.5000110.6L85 M88 D97 A105 L132 V138L85-F95 HydrophobicContact CD2-CE1 3.69Å; L85-F95 HydrophobicContact CD2-CZ 3.93Å; M88-F95 HydrophobicContact CE-CD1 3.54Å; M88-F95 HydrophobicContact CE-CE1 3.68Å; M88-F95 HydrophobicContact CE-CG 4.11Å; M88-F95 HydrophobicContact CE-CZ 4.34Å; M88-F95 HydrophobicContact SD-CD1 4.22Å; M88-F95 HydrophobicContact SD-CE1 3.79Å; M88-F95 HydrophobicContact SD-CZ 4.44Å; F95-D97 VanDerWaalsContact C-N 3.3Å; F95-D97 VanDerWaalsContact CB-O 3.22Å; F95-D97 WeakPolarHBondContact CB-O 3.18Å; F95-A105 HydrophobicContact CE2-CB 4.49Å; F95-A105 HydrophobicContact CZ-CB 3.8Å; F95-L132 HydrophobicContact CD1-CD2 4.33Å; F95-L132 HydrophobicContact CE1-CD2 3.83Å; F95-V138 HydrophobicContact CD1-CG2 4.14Å; F95-V138 HydrophobicContact CE1-CG2 4.1Å
96G97.8Very high97.8Very high48 Ų4869.4 Ų69.450%0.49538%0.38SS..SBendtrans-61.7-41.5169.100000111.6D135 S136G96-D135 VanDerWaalsContact CA-OD2 3.27Å; G96-D135 WeakPolarHBondContact CA-OD2 3.35Å; G96-D135 VanDerWaalsContact N-CG 3.31Å; G96-D135 PolarHBondContact N-OD1 3.47Å; G96-D135 PolarHBondContact N-OD2 3.48Å; G96-S136 WeakPolarHBondContact CA-OG 3.28Å
97D97.3Very high97.8Very high84 Ų8463.8 Ų63.845%0.44936%0.361SS..SBendtrans-107.7104.8165-170.8-32.9000110.2F95 E99 Q100 G101 D135F95-D97 VanDerWaalsContact C-N 3.3Å; F95-D97 VanDerWaalsContact CB-O 3.22Å; F95-D97 WeakPolarHBondContact CB-O 3.18Å; D97-E99 PolarHBondContact O-N 3.36Å; D97-E99 PolarHBondContact OD1-N 2.72Å; D97-E99 VanDerWaalsContact OD1-N 3.11Å; D97-Q100 HydrophobicContact CB-CB 4.06Å; D97-Q100 VanDerWaalsContact CG-CB 3.42Å; D97-Q100 PolarHBondContact OD1-N 2.69Å; D97-Q100 WeakPolarHBondContact OD2-CB 3.45Å; D97-G101 WeakPolarHBondContact O-CA 3.07Å; D97-G101 PolarHBondContact O-N 2.93Å; D97-D135 PolarHBondContact N-OD2 2.97Å; D97-D135 VanDerWaalsContact N-OD2 3.08Å
98S96Very high97.9Very high74 Ų7463.6 Ų63.652%0.51736%0.359SS..Hα-helixtrans-65.4-33.9-175.3-64.80000114.1A102S98-A102 VanDerWaalsContact O-CB 3.24Å; S98-A102 WeakPolarHBondContact O-CB 3.48Å; S98-A102 PolarHBondContact O-N 3.07Å
99E97Very high97.8Very high171 Ų17165.4 Ų65.480%0.79937%0.372SS*.Hα-helixtrans-82.5-51.8-177.7-174.5173.9-176.200110.1D97 A102 E103D97-E99 PolarHBondContact O-N 3.36Å; D97-E99 PolarHBondContact OD1-N 2.72Å; D97-E99 VanDerWaalsContact OD1-N 3.11Å; E99-A102 PolarHBondContact O-N 3.06Å; E99-E103 PolarHBondContact O-N 2.86Å; E99-E103 VanDerWaalsContact O-N 3.15Å
100Q98.1Very high97.9Very high73 Ų7362.1 Ų62.134%0.34135%0.354SS..Hα-helixtrans-66.4-42-179.7-172.959.771.200111.7D97 A102 E103 D104D97-Q100 HydrophobicContact CB-CB 4.06Å; D97-Q100 VanDerWaalsContact CG-CB 3.42Å; D97-Q100 PolarHBondContact OD1-N 2.69Å; D97-Q100 WeakPolarHBondContact OD2-CB 3.45Å; Q100-A102 PolarHBondContact O-N 3Å; Q100-E103 PolarHBondContact O-N 3.26Å; Q100-D104 WeakPolarHBondContact CG-OD2 3.47Å; Q100-D104 PolarHBondContact NE2-OD1 2.93Å; Q100-D104 PolarHBondContact NE2-OD2 3.34Å; Q100-D104 WeakPolarHBondContact O-CB 3.39Å; Q100-D104 VanDerWaalsContact O-CG 3.31Å; Q100-D104 PolarHBondContact O-N 3.15Å
101G98.2Very high97.9Very high3 Ų357.4 Ų57.43%0.03133%0.325CS..Hα-helixtrans-63.9-39178.600000112.7D97 A105D97-G101 WeakPolarHBondContact O-CA 3.07Å; D97-G101 PolarHBondContact O-N 2.93Å; G101-A105 WeakPolarHBondContact O-CB 3.39Å; G101-A105 PolarHBondContact O-N 2.84Å
102A97.8Very high97.9Very high52 Ų5257.2 Ų57.243%0.4332%0.324SS..Hα-helixtrans-66.9-41.3176.100000112.3S98 E99 Q100 R106S98-A102 VanDerWaalsContact O-CB 3.24Å; S98-A102 WeakPolarHBondContact O-CB 3.48Å; S98-A102 PolarHBondContact O-N 3.07Å; E99-A102 PolarHBondContact O-N 3.06Å; Q100-A102 PolarHBondContact O-N 3Å; A102-R106 PolarHBondContact O-N 2.93Å; A102-R106 VanDerWaalsContact O-N 3.09Å
103E98.3Very high97.8Very high79 Ų7961.2 Ų61.237%0.36933%0.326SS..Hα-helixtrans-67.4-46177.1177.760.5-178.200111.9E99 Q100 A105 R106 I107E99-E103 PolarHBondContact O-N 2.86Å; E99-E103 VanDerWaalsContact O-N 3.15Å; Q100-E103 PolarHBondContact O-N 3.26Å; E103-A105 VanDerWaalsContact C-N 3.33Å; E103-A105 PolarHBondContact O-N 2.56Å; E103-R106 WeakPolarHBondContact O-CB 3.31Å; E103-R106 PolarHBondContact O-N 3.46Å; E103-R106 VanDerWaalsContact O-N 3.16Å; E103-R106 IonicContact OE1-CZ 3.76Å; E103-R106 IonicContact OE1-NE 3.34Å; E103-R106 IonicContact OE1-NH2 2.97Å; E103-R106 PolarHBondContact OE1-NH2 3.3Å; E103-R106 IonicContact OE2-CZ 2.89Å; E103-R106 VanDerWaalsContact OE2-CZ 3.29Å; E103-R106 IonicContact OE2-NE 3.56Å; E103-R106 PolarHBondContact OE2-NE 3.05Å; E103-R106 IonicContact OE2-NH2 3.64Å; E103-R106 PolarHBondContact OE2-NH2 3.47Å; E103-I107 WeakPolarHBondContact O-CG1 3.44Å; E103-I107 PolarHBondContact O-N 3.21Å; E103-I107 VanDerWaalsContact O-N 3.08Å
104D98.6Very high97.8Very high2 Ų263.3 Ų63.31%0.01135%0.345CS..Hα-helixtrans-64.7-39177.9-70.5-30.6000111.5Q100 R106 I107 V108 A128 R131 L132Q100-D104 WeakPolarHBondContact CG-OD2 3.47Å; Q100-D104 PolarHBondContact NE2-OD1 2.93Å; Q100-D104 PolarHBondContact NE2-OD2 3.34Å; Q100-D104 WeakPolarHBondContact O-CB 3.39Å; Q100-D104 VanDerWaalsContact O-CG 3.31Å; Q100-D104 PolarHBondContact O-N 3.15Å; D104-R106 VanDerWaalsContact C-N 3.27Å; D104-R106 PolarHBondContact O-N 3.19Å; D104-I107 PolarHBondContact O-N 3.43Å; D104-V108 WeakPolarHBondContact O-CG2 3.35Å; D104-V108 PolarHBondContact O-N 3.19Å; D104-V108 VanDerWaalsContact O-N 3.08Å; D104-A128 HydrophobicContact CB-CB 3.79Å; D104-A128 WeakPolarHBondContact OD1-CA 3.42Å; D104-A128 WeakPolarHBondContact OD1-CB 2.9Å; D104-R131 IonicContact OD1-CZ 3.46Å; D104-R131 IonicContact OD1-NE 2.84Å; D104-R131 PolarHBondContact OD1-NE 2.81Å; D104-R131 IonicContact OD1-NH2 3.16Å; D104-R131 PolarHBondContact OD1-NH2 3.21Å; D104-R131 VanDerWaalsContact OD2-CB 3.26Å; D104-R131 WeakPolarHBondContact OD2-CB 3.35Å; D104-R131 IonicContact OD2-CZ 2.78Å; D104-R131 IonicContact OD2-NE 2.66Å; D104-R131 PolarHBondContact OD2-NE 3.33Å; D104-R131 IonicContact OD2-NH2 2.87Å; D104-L132 HydrophobicContact CB-CD1 3.88Å; D104-L132 HydrophobicContact CB-CD2 3.89Å; D104-L132 HydrophobicContact CB-CG 3.59Å
105A98.5Very high97.7Very high14 Ų1463.5 Ų63.512%0.11635%0.348CS..Hα-helixtrans-62.2-36.3175.100000112.1L85 F95 G101 E103 C109L85-A105 HydrophobicContact CD1-CB 3.95Å; L85-A105 HydrophobicContact CD2-CB 4.09Å; F95-A105 HydrophobicContact CE2-CB 4.49Å; F95-A105 HydrophobicContact CZ-CB 3.8Å; G101-A105 WeakPolarHBondContact O-CB 3.39Å; G101-A105 PolarHBondContact O-N 2.84Å; E103-A105 VanDerWaalsContact C-N 3.33Å; E103-A105 PolarHBondContact O-N 2.56Å; A105-C109 WeakPolarHBondContact O-CB 3.39Å; A105-C109 PolarHBondContact O-N 3.07Å; A105-C109 PolarHBondContact O-SG 2.78Å
106R98.2Very high97.6Very high124 Ų12465.5 Ų65.547%0.46836%0.358SS..Hα-helixtrans-63.1-48.1174.3-173.5178.869.286.9-6.3111A102 E103 D104 V108 C109 D110A102-R106 PolarHBondContact O-N 2.93Å; A102-R106 VanDerWaalsContact O-N 3.09Å; E103-R106 WeakPolarHBondContact O-CB 3.31Å; E103-R106 PolarHBondContact O-N 3.46Å; E103-R106 VanDerWaalsContact O-N 3.16Å; E103-R106 IonicContact OE1-CZ 3.76Å; E103-R106 IonicContact OE1-NE 3.34Å; E103-R106 IonicContact OE1-NH2 2.97Å; E103-R106 PolarHBondContact OE1-NH2 3.3Å; E103-R106 IonicContact OE2-CZ 2.89Å; E103-R106 VanDerWaalsContact OE2-CZ 3.29Å; E103-R106 IonicContact OE2-NE 3.56Å; E103-R106 PolarHBondContact OE2-NE 3.05Å; E103-R106 IonicContact OE2-NH2 3.64Å; E103-R106 PolarHBondContact OE2-NH2 3.47Å; D104-R106 VanDerWaalsContact C-N 3.27Å; D104-R106 PolarHBondContact O-N 3.19Å; R106-V108 VanDerWaalsContact C-N 3.34Å; R106-V108 PolarHBondContact O-N 3.34Å; R106-C109 PolarHBondContact O-N 3.1Å; R106-C109 VanDerWaalsContact O-N 3.16Å; R106-D110 IonicContact NH1-OD2 3.46Å; R106-D110 WeakPolarHBondContact O-CB 3.18Å; R106-D110 VanDerWaalsContact O-CG 3.22Å; R106-D110 PolarHBondContact O-N 2.92Å
107I98.4Very high97.6Very high39 Ų3964 Ų6420%0.234%0.339CS..Hα-helixtrans-55.2-48.6177.1-66.5168.3000111.1E103 D104 C109 D110 V111 L125 A128E103-I107 WeakPolarHBondContact O-CG1 3.44Å; E103-I107 PolarHBondContact O-N 3.21Å; E103-I107 VanDerWaalsContact O-N 3.08Å; D104-I107 PolarHBondContact O-N 3.43Å; I107-C109 PolarHBondContact O-N 3.28Å; I107-D110 PolarHBondContact O-N 2.9Å; I107-V111 PolarHBondContact O-N 3.47Å; I107-L125 HydrophobicContact CG2-CD1 4.28Å; I107-A128 HydrophobicContact CB-CB 4.21Å; I107-A128 HydrophobicContact CD1-CB 4.15Å; I107-A128 HydrophobicContact CG2-CB 4.08Å
108V98.4Very high97.7Very high0 Ų063.2 Ų63.20%034%0.337CS..Hα-helixtrans-64.3-40.7179.5177.90000111.6I78 M81 V82 L85 D104 R106 V111 L125 M129 L132I78-V108 HydrophobicContact CG2-CG1 4.16Å; M81-V108 HydrophobicContact CB-CG1 4.35Å; M81-V108 HydrophobicContact CG-CG1 4.02Å; M81-V108 HydrophobicContact CG-CG2 4.42Å; V82-V108 HydrophobicContact CG2-CG1 3.6Å; L85-V108 HydrophobicContact CD1-CB 4.37Å; L85-V108 HydrophobicContact CD1-CG1 4.37Å; D104-V108 WeakPolarHBondContact O-CG2 3.35Å; D104-V108 PolarHBondContact O-N 3.19Å; D104-V108 VanDerWaalsContact O-N 3.08Å; R106-V108 VanDerWaalsContact C-N 3.34Å; R106-V108 PolarHBondContact O-N 3.34Å; V108-V111 PolarHBondContact O-N 2.81Å; V108-L125 HydrophobicContact CB-CD1 4.44Å; V108-L125 HydrophobicContact CG2-CD1 3.93Å; V108-M129 HydrophobicContact CG2-CG 3.83Å; V108-L132 HydrophobicContact CG2-CD1 3.69Å
109C97.5Very high97.7Very high41 Ų4164.6 Ų64.628%0.27733%0.333SS..Hα-helixtrans-68-37.8179-71.60000112.6A105 R106 I107 V111 I112 Q113A105-C109 WeakPolarHBondContact O-CB 3.39Å; A105-C109 PolarHBondContact O-N 3.07Å; A105-C109 PolarHBondContact O-SG 2.78Å; R106-C109 PolarHBondContact O-N 3.1Å; R106-C109 VanDerWaalsContact O-N 3.16Å; I107-C109 PolarHBondContact O-N 3.28Å; C109-V111 VanDerWaalsContact C-N 3.3Å; C109-V111 PolarHBondContact O-N 3.46Å; C109-I112 PolarHBondContact O-N 2.81Å; C109-Q113 WeakPolarHBondContact O-CG 3.43Å; C109-Q113 PolarHBondContact O-N 2.77Å
110D97.9Very high97.7Very high66 Ų6660.6 Ų60.635%0.35332%0.322SS..Hα-helixtrans-61.6-38.5178.6-72-11.5000111.1R106 I107 I112 Q113 A114R106-D110 IonicContact NH1-OD2 3.46Å; R106-D110 WeakPolarHBondContact O-CB 3.18Å; R106-D110 VanDerWaalsContact O-CG 3.22Å; R106-D110 PolarHBondContact O-N 2.92Å; I107-D110 PolarHBondContact O-N 2.9Å; D110-I112 PolarHBondContact O-N 3.29Å; D110-Q113 PolarHBondContact O-N 3.1Å; D110-A114 WeakPolarHBondContact O-CB 3.48Å; D110-A114 PolarHBondContact O-N 2.98Å
111V98.1Very high97.7Very high21 Ų2158.1 Ų58.113%0.12731%0.31CS..Hα-helixtrans-61.4-41.8175.2170.30000112.3I78 I107 V108 C109 A114 M115 E116 D117 L125I78-V111 HydrophobicContact CD1-CG1 4.16Å; I107-V111 PolarHBondContact O-N 3.47Å; V108-V111 PolarHBondContact O-N 2.81Å; C109-V111 VanDerWaalsContact C-N 3.3Å; C109-V111 PolarHBondContact O-N 3.46Å; V111-A114 PolarHBondContact O-N 2.85Å; V111-M115 PolarHBondContact O-N 2.95Å; V111-E116 HydrophobicContact CG1-CB 4.11Å; V111-E116 PolarHBondContact O-N 2.78Å; V111-D117 HydrophobicContact CG1-CB 4.46Å; V111-L125 HydrophobicContact CG1-CD2 4.15Å; V111-L125 HydrophobicContact CG2-CD1 3.95Å; V111-L125 HydrophobicContact CG2-CD2 3.99Å; V111-L125 HydrophobicContact CG2-CG 4.41Å
112I96.8Very high97.7Very high39 Ų3961 Ų6120%0.233%0.33CS..Hα-helixtrans-68.9-41.5176.5-71.6-75.4000111.1I78 Q79 V82 C109 D110 A114 M115 D117I78-I112 HydrophobicContact CG2-CD1 3.84Å; I78-I112 HydrophobicContact CG2-CG1 3.8Å; Q79-I112 HydrophobicContact CG-CD1 3.8Å; V82-I112 HydrophobicContact CG2-CG1 3.92Å; C109-I112 PolarHBondContact O-N 2.81Å; D110-I112 PolarHBondContact O-N 3.29Å; I112-A114 VanDerWaalsContact C-N 3.26Å; I112-A114 PolarHBondContact O-N 3.38Å; I112-M115 PolarHBondContact O-N 2.78Å; I112-M115 VanDerWaalsContact O-N 3.07Å; I112-D117 HydrophobicContact CD1-CB 3.49Å; I112-D117 VanDerWaalsContact CD1-CB 3.49Å; I112-D117 HydrophobicContact CG1-CB 4.46Å
113Q96.8Very high97.7Very high148 Ų14865.1 Ų65.169%0.69234%0.34SS*.Hα-helixtrans-63-35.7176.9-70.6179.321.100112C109 D110 M115C109-Q113 WeakPolarHBondContact O-CG 3.43Å; C109-Q113 PolarHBondContact O-N 2.77Å; D110-Q113 PolarHBondContact O-N 3.1Å; Q113-M115 VanDerWaalsContact C-N 3.25Å; Q113-M115 PolarHBondContact O-N 2.87Å
114A97.1Very high97.7Very high59 Ų5967 Ų6749%0.48835%0.353SS..THydrogen-bonded Turntrans-78.5-3.1175.400000114D110 V111 I112 E116D110-A114 WeakPolarHBondContact O-CB 3.48Å; D110-A114 PolarHBondContact O-N 2.98Å; V111-A114 PolarHBondContact O-N 2.85Å; I112-A114 VanDerWaalsContact C-N 3.26Å; I112-A114 PolarHBondContact O-N 3.38Å; A114-E116 HydrophobicContact CB-CG 3.82Å; A114-E116 PolarHBondContact O-N 3.15Å
115M96.5Very high97.7Very high156 Ų15667.1 Ų67.177%0.76835%0.354SS*.THydrogen-bonded Turntrans55.839-174.4-56.3-177.1174.300112.8V111 I112 Q113V111-M115 PolarHBondContact O-N 2.95Å; I112-M115 PolarHBondContact O-N 2.78Å; I112-M115 VanDerWaalsContact O-N 3.07Å; Q113-M115 VanDerWaalsContact C-N 3.25Å; Q113-M115 PolarHBondContact O-N 2.87Å
116E97.4Very high97.7Very high83 Ų8367.6 Ų67.639%0.38835%0.354SS..  trans-104.18.4-178.9-62.1-160.8141.300113.1V111 A114 T118 K119V111-E116 HydrophobicContact CG1-CB 4.11Å; V111-E116 PolarHBondContact O-N 2.78Å; A114-E116 HydrophobicContact CB-CG 3.82Å; A114-E116 PolarHBondContact O-N 3.15Å; E116-T118 PolarHBondContact O-N 2.86Å; E116-T118 VanDerWaalsContact O-N 3.09Å; E116-K119 HydrophobicContact CB-CD 4.05Å; E116-K119 HydrophobicContact CG-CD 4.15Å; E116-K119 WeakPolarHBondContact O-CB 3.36Å; E116-K119 PolarHBondContact O-N 3.38Å; E116-K119 IonicContact OE1-NZ 2.93Å; E116-K119 PolarHBondContact OE1-NZ 3.15Å
117D97.8Very high97.7Very high17 Ų1765.1 Ų65.19%0.09135%0.35CS..THydrogen-bonded Turntrans-68.4-9-177.666-51.2000114.3Y74 S75 I78 Q79 V111 I112Y74-D117 CarbonylContact C-O 3.48Å; Y74-D117 WeakPolarHBondContact CB-O 3.24Å; S75-D117 WeakPolarHBondContact CA-O 3.48Å; S75-D117 WeakPolarHBondContact CB-OD2 3.45Å; S75-D117 PolarHBondContact N-O 3.31Å; S75-D117 PolarHBondContact OG-OD2 2.8Å; I78-D117 HydrophobicContact CB-CB 4.19Å; I78-D117 HydrophobicContact CD1-CB 3.95Å; I78-D117 HydrophobicContact CG2-CB 4.11Å; Q79-D117 PolarHBondContact NE2-OD2 3.26Å; V111-D117 HydrophobicContact CG1-CB 4.46Å; I112-D117 HydrophobicContact CD1-CB 3.49Å; I112-D117 VanDerWaalsContact CD1-CB 3.49Å; I112-D117 HydrophobicContact CG1-CB 4.46Å
118T97.8Very high97.7Very high67 Ų6763.3 Ų63.341%0.41134%0.341SS..THydrogen-bonded Turntrans-93.6-2.6173.961.60000113.4P71 E116P71-T118 WeakPolarHBondContact CA-O 3.19Å; E116-T118 PolarHBondContact O-N 2.86Å; E116-T118 VanDerWaalsContact O-N 3.09Å
119K97.3Very high97.7Very high102 Ų10263.3 Ų63.344%0.44334%0.341SS..SBendtrans-93.8158.2-177.5-60.1-176.6-173.81760111Y74 E116Y74-K119 WeakPolarHBondContact CD2-O 3.45Å; E116-K119 HydrophobicContact CB-CD 4.05Å; E116-K119 HydrophobicContact CG-CD 4.15Å; E116-K119 WeakPolarHBondContact O-CB 3.36Å; E116-K119 PolarHBondContact O-N 3.38Å; E116-K119 IonicContact OE1-NZ 2.93Å; E116-K119 PolarHBondContact OE1-NZ 3.15Å
120P97.4Very high97.8Very high87 Ų8764.9 Ų64.957%0.56534%0.343SS*.PPolyproline II helixtrans-53.9144.1168.8-23.333.6000111.5Y74 S122Y74-P120 HydrophobicContact CE2-CB 4.14Å; Y74-P120 HydrophobicContact CE2-CG 4Å; P120-S122 PolarHBondContact O-N 2.84Å
121F97.9Very high97.8Very high21 Ų2166.5 Ų66.59%0.09234%0.344CS..PPolyproline II helixtrans-62.5135.2-179.5-52.8-27.7000110.8Y74 T77 I78 L125 L126 M129 L161 L164Y74-F121 HydrophobicContact CD1-CD1 4.1Å; Y74-F121 AromaticContact CD1-CE1 3.52Å; Y74-F121 HydrophobicContact CD1-CE1 3.52Å; Y74-F121 HydrophobicContact CD1-CE2 4.34Å; Y74-F121 AromaticContact CD1-CZ 3.67Å; Y74-F121 HydrophobicContact CD1-CZ 3.67Å; Y74-F121 HydrophobicContact CE1-CE1 4.27Å; Y74-F121 HydrophobicContact CE1-CZ 4.28Å; Y74-F121 HydrophobicContact CG-CE1 4.08Å; T77-F121 HydrophobicContact CG2-CZ 4.13Å; I78-F121 HydrophobicContact CD1-CD1 4.05Å; I78-F121 HydrophobicContact CD1-CE1 3.69Å; I78-F121 HydrophobicContact CG1-CD1 4.48Å; I78-F121 HydrophobicContact CG1-CE1 3.82Å; F121-L125 HydrophobicContact CB-CD2 4.31Å; F121-L125 HydrophobicContact CD1-CD2 3.95Å; F121-L125 HydrophobicContact CG-CD2 4.42Å; F121-L126 HydrophobicContact CB-CB 4.21Å; F121-L126 HydrophobicContact CD2-CD1 4.17Å; F121-M129 HydrophobicContact CB-CE 4.47Å; F121-M129 HydrophobicContact CD1-CE 3.91Å; F121-M129 HydrophobicContact CD2-CE 3.56Å; F121-M129 HydrophobicContact CE1-CE 3.95Å; F121-M129 HydrophobicContact CE2-CE 3.58Å; F121-M129 HydrophobicContact CG-CE 3.72Å; F121-M129 HydrophobicContact CZ-CE 3.78Å; F121-L161 HydrophobicContact CE2-CD2 4.19Å; F121-L164 HydrophobicContact CE2-CB 3.74Å; F121-L164 HydrophobicContact CZ-CB 4.4Å
122S97.5Very high97.9Very high63 Ų6365.6 Ų65.644%0.44134%0.339SS..PPolyproline II helixtrans-69.6160.9162.262.80000109.7P120 D124 L125 L126P120-S122 PolarHBondContact O-N 2.84Å; S122-D124 VanDerWaalsContact C-N 3.3Å; S122-D124 PolarHBondContact O-N 3.31Å; S122-L125 PolarHBondContact O-N 3.47Å; S122-L125 VanDerWaalsContact OG-CB 3.23Å; S122-L125 WeakPolarHBondContact OG-CB 3.18Å; S122-L125 PolarHBondContact OG-N 3.41Å; S122-L125 VanDerWaalsContact OG-N 3.14Å; S122-L126 WeakPolarHBondContact O-CB 3.39Å; S122-L126 PolarHBondContact O-N 2.96Å
123E97.7Very high98Very high139 Ų13964.8 Ų64.865%0.6533%0.333SS*.Hα-helixtrans-57.9-45.5175.8-67.4178-178.700110.4L125 L126 D127E123-L125 PolarHBondContact O-N 2.89Å; E123-L126 PolarHBondContact O-N 2.94Å; E123-D127 WeakPolarHBondContact O-CB 3.29Å; E123-D127 PolarHBondContact O-N 3.17Å
124D97.7Very high98Very high118 Ų11861.7 Ų61.763%0.63133%0.333SS*.Hα-helixtrans-60.3-43.8176.8-62.2-23.9000113S122 A128S122-D124 VanDerWaalsContact C-N 3.3Å; S122-D124 PolarHBondContact O-N 3.31Å; D124-A128 VanDerWaalsContact O-CB 3.24Å; D124-A128 WeakPolarHBondContact O-CB 3.39Å; D124-A128 PolarHBondContact O-N 3.06Å
125L98.5Very high98.1Very high5 Ų559.7 Ų59.73%0.02631%0.314CS..Hα-helixtrans-66.8-43.4179.2176.963.5000111.2I78 I107 V108 V111 F121 S122 E123 A128 M129I78-L125 HydrophobicContact CD1-CD2 3.95Å; I107-L125 HydrophobicContact CG2-CD1 4.28Å; V108-L125 HydrophobicContact CB-CD1 4.44Å; V108-L125 HydrophobicContact CG2-CD1 3.93Å; V111-L125 HydrophobicContact CG1-CD2 4.15Å; V111-L125 HydrophobicContact CG2-CD1 3.95Å; V111-L125 HydrophobicContact CG2-CD2 3.99Å; V111-L125 HydrophobicContact CG2-CG 4.41Å; F121-L125 HydrophobicContact CB-CD2 4.31Å; F121-L125 HydrophobicContact CD1-CD2 3.95Å; F121-L125 HydrophobicContact CG-CD2 4.42Å; S122-L125 PolarHBondContact O-N 3.47Å; S122-L125 VanDerWaalsContact OG-CB 3.23Å; S122-L125 WeakPolarHBondContact OG-CB 3.18Å; S122-L125 PolarHBondContact OG-N 3.41Å; S122-L125 VanDerWaalsContact OG-N 3.14Å; E123-L125 PolarHBondContact O-N 2.89Å; L125-A128 PolarHBondContact O-N 3.39Å; L125-M129 HydrophobicContact CD1-CE 4.49Å; L125-M129 HydrophobicContact CD1-CG 4.16Å; L125-M129 HydrophobicContact CD1-SD 4.3Å; L125-M129 HydrophobicContact CD2-CE 4.39Å; L125-M129 HydrophobicContact CG-CE 3.92Å; L125-M129 HydrophobicContact CG-SD 4.34Å; L125-M129 WeakPolarHBondContact O-CB 3.2Å; L125-M129 WeakPolarHBondContact O-CG 3.47Å; L125-M129 PolarHBondContact O-N 3.02Å
126L98.6Very high98.2Very high24 Ų2456.1 Ų56.113%0.12630%0.304CS..Hα-helixtrans-60.5-48.9178.7174.260.4000110.7F121 S122 E123 A128 M129 K130 L161F121-L126 HydrophobicContact CB-CB 4.21Å; F121-L126 HydrophobicContact CD2-CD1 4.17Å; S122-L126 WeakPolarHBondContact O-CB 3.39Å; S122-L126 PolarHBondContact O-N 2.96Å; E123-L126 PolarHBondContact O-N 2.94Å; L126-A128 PolarHBondContact O-N 3.46Å; L126-M129 PolarHBondContact O-N 3.27Å; L126-K130 HydrophobicContact CD1-CD 4.02Å; L126-K130 HydrophobicContact CD1-CG 4.3Å; L126-K130 HydrophobicContact CG-CD 4.09Å; L126-K130 VanDerWaalsContact O-CG 3.29Å; L126-K130 WeakPolarHBondContact O-CG 3.48Å; L126-K130 PolarHBondContact O-N 3.08Å; L126-L161 HydrophobicContact CD1-CB 3.95Å; L126-L161 VanDerWaalsContact CD1-O 3.26Å; L126-L161 WeakPolarHBondContact CD1-O 3.46Å
127D98.6Very high98.3Very high73 Ų7352.3 Ų52.339%0.3929%0.287SS..Hα-helixtrans-64.1-40.8179.3-80.3-13.2000112.1E123 K130 R131E123-D127 WeakPolarHBondContact O-CB 3.29Å; E123-D127 PolarHBondContact O-N 3.17Å; D127-K130 PolarHBondContact O-N 3.46Å; D127-R131 PolarHBondContact O-N 3.27Å
128A98.7Very high98.3Very high0 Ų051.5 Ų51.50%028%0.283CS..Hα-helixtrans-60.9-48.5174.500000111.9D104 I107 D124 L125 L126 K130 R131 L132D104-A128 HydrophobicContact CB-CB 3.79Å; D104-A128 WeakPolarHBondContact OD1-CA 3.42Å; D104-A128 WeakPolarHBondContact OD1-CB 2.9Å; I107-A128 HydrophobicContact CB-CB 4.21Å; I107-A128 HydrophobicContact CD1-CB 4.15Å; I107-A128 HydrophobicContact CG2-CB 4.08Å; D124-A128 VanDerWaalsContact O-CB 3.24Å; D124-A128 WeakPolarHBondContact O-CB 3.39Å; D124-A128 PolarHBondContact O-N 3.06Å; L125-A128 PolarHBondContact O-N 3.39Å; L126-A128 PolarHBondContact O-N 3.46Å; A128-K130 VanDerWaalsContact C-N 3.3Å; A128-K130 PolarHBondContact O-N 2.9Å; A128-R131 PolarHBondContact O-N 3.07Å; A128-L132 WeakPolarHBondContact O-CB 3.34Å; A128-L132 VanDerWaalsContact O-CG 3.29Å; A128-L132 WeakPolarHBondContact O-CG 3.48Å; A128-L132 PolarHBondContact O-N 3.24Å
129M98.8Very high98.4Very high0 Ų051.6 Ų51.60%028%0.278CS..Hα-helixtrans-62.8-36.2177.7-72.1-173.1-58.400112.3I78 M81 V108 F121 L125 L126 W133 L161I78-M129 HydrophobicContact CG1-SD 3.98Å; M81-M129 HydrophobicContact CE-CB 4.39Å; M81-M129 WeakPolarHBondContact CE-O 3.5Å; V108-M129 HydrophobicContact CG2-CG 3.83Å; F121-M129 HydrophobicContact CB-CE 4.47Å; F121-M129 HydrophobicContact CD1-CE 3.91Å; F121-M129 HydrophobicContact CD2-CE 3.56Å; F121-M129 HydrophobicContact CE1-CE 3.95Å; F121-M129 HydrophobicContact CE2-CE 3.58Å; F121-M129 HydrophobicContact CG-CE 3.72Å; F121-M129 HydrophobicContact CZ-CE 3.78Å; L125-M129 HydrophobicContact CD1-CE 4.49Å; L125-M129 HydrophobicContact CD1-CG 4.16Å; L125-M129 HydrophobicContact CD1-SD 4.3Å; L125-M129 HydrophobicContact CD2-CE 4.39Å; L125-M129 HydrophobicContact CG-CE 3.92Å; L125-M129 HydrophobicContact CG-SD 4.34Å; L125-M129 WeakPolarHBondContact O-CB 3.2Å; L125-M129 WeakPolarHBondContact O-CG 3.47Å; L125-M129 PolarHBondContact O-N 3.02Å; L126-M129 PolarHBondContact O-N 3.27Å; M129-W133 VanDerWaalsContact O-CB 3.31Å; M129-W133 WeakPolarHBondContact O-CB 3.35Å; M129-W133 PolarHBondContact O-N 2.91Å; M129-L161 HydrophobicContact CB-CD1 3.83Å; M129-L161 HydrophobicContact CB-CD2 4.24Å; M129-L161 HydrophobicContact CE-CD2 3.93Å; M129-L161 HydrophobicContact SD-CD2 4.33Å
130K98.8Very high98.4Very high74 Ų7451.8 Ų51.832%0.32228%0.281SS..Hα-helixtrans-66.2-45.7176.8-74.6171.965.3176.40111.8L126 D127 A128 W133 A134 L161 D162L126-K130 HydrophobicContact CD1-CD 4.02Å; L126-K130 HydrophobicContact CD1-CG 4.3Å; L126-K130 HydrophobicContact CG-CD 4.09Å; L126-K130 VanDerWaalsContact O-CG 3.29Å; L126-K130 WeakPolarHBondContact O-CG 3.48Å; L126-K130 PolarHBondContact O-N 3.08Å; D127-K130 PolarHBondContact O-N 3.46Å; A128-K130 VanDerWaalsContact C-N 3.3Å; A128-K130 PolarHBondContact O-N 2.9Å; K130-W133 PolarHBondContact O-N 3.39Å; K130-A134 WeakPolarHBondContact O-CB 3.4Å; K130-A134 PolarHBondContact O-N 2.7Å; K130-L161 HydrophobicContact CB-CD1 4.5Å; K130-L161 HydrophobicContact CG-CB 3.9Å; K130-L161 HydrophobicContact CG-CD1 3.88Å; K130-D162 WeakPolarHBondContact CE-OD1 3.39Å; K130-D162 IonicContact NZ-OD1 3.73Å; K130-D162 PolarHBondContact NZ-OD1 2.85Å; K130-D162 IonicContact NZ-OD2 2.74Å; K130-D162 PolarHBondContact NZ-OD2 2.99Å
131R98.7Very high98.5Very high101 Ų10147.6 Ų47.638%0.38125%0.254SS..Hα-helixtrans-63.7-45.3176.3-76-171.8-64.1-92.1-1.2111.6D104 D127 A128 W133 A134 D135D104-R131 IonicContact OD1-CZ 3.46Å; D104-R131 IonicContact OD1-NE 2.84Å; D104-R131 PolarHBondContact OD1-NE 2.81Å; D104-R131 IonicContact OD1-NH2 3.16Å; D104-R131 PolarHBondContact OD1-NH2 3.21Å; D104-R131 VanDerWaalsContact OD2-CB 3.26Å; D104-R131 WeakPolarHBondContact OD2-CB 3.35Å; D104-R131 IonicContact OD2-CZ 2.78Å; D104-R131 IonicContact OD2-NE 2.66Å; D104-R131 PolarHBondContact OD2-NE 3.33Å; D104-R131 IonicContact OD2-NH2 2.87Å; D127-R131 PolarHBondContact O-N 3.27Å; A128-R131 PolarHBondContact O-N 3.07Å; R131-W133 PolarHBondContact O-N 3.26Å; R131-A134 PolarHBondContact O-N 2.65Å; R131-D135 PolarHBondContact O-N 3.48Å
132L98.8Very high98.5Very high1 Ų148.3 Ų48.31%0.00526%0.257CS..Hα-helixtrans-59.2-46.9174-72.9170.7000111.6M81 L85 F95 D104 V108 A128 A134 D135 V138M81-L132 HydrophobicContact CE-CB 3.83Å; M81-L132 HydrophobicContact CG-CD1 4.28Å; M81-L132 HydrophobicContact SD-CB 3.91Å; M81-L132 HydrophobicContact SD-CD1 4.21Å; L85-L132 HydrophobicContact CD1-CD1 4.19Å; L85-L132 HydrophobicContact CD2-CD1 4.38Å; L85-L132 HydrophobicContact CD2-CD2 4.02Å; F95-L132 HydrophobicContact CD1-CD2 4.33Å; F95-L132 HydrophobicContact CE1-CD2 3.83Å; D104-L132 HydrophobicContact CB-CD1 3.88Å; D104-L132 HydrophobicContact CB-CD2 3.89Å; D104-L132 HydrophobicContact CB-CG 3.59Å; V108-L132 HydrophobicContact CG2-CD1 3.69Å; A128-L132 WeakPolarHBondContact O-CB 3.34Å; A128-L132 VanDerWaalsContact O-CG 3.29Å; A128-L132 WeakPolarHBondContact O-CG 3.48Å; A128-L132 PolarHBondContact O-N 3.24Å; L132-A134 PolarHBondContact O-N 3.2Å; L132-D135 VanDerWaalsContact O-CB 3.27Å; L132-D135 WeakPolarHBondContact O-CB 3.31Å; L132-D135 PolarHBondContact O-N 3.09Å; L132-V138 HydrophobicContact CB-CG2 4.49Å; L132-V138 HydrophobicContact CD2-CG2 4.36Å; L132-V138 WeakPolarHBondContact O-CB 3.4Å; L132-V138 VanDerWaalsContact O-CG1 3.28Å; L132-V138 WeakPolarHBondContact O-CG1 3.11Å; L132-V138 VanDerWaalsContact O-CG2 3.24Å; L132-V138 WeakPolarHBondContact O-CG2 3.42Å
133W98.8Very high98.4Very high22 Ų2248.3 Ų48.38%0.08326%0.261CS..Hα-helixtrans-65-30.8-179.7-170.4-126.8000112.6M81 I84 M129 K130 R131 D135 V138 Q139 F142 K155 L158 D159 L161M81-W133 HydrophobicContact CE-CB 4.07Å; I84-W133 HydrophobicContact CD1-CZ3 3.88Å; M129-W133 VanDerWaalsContact O-CB 3.31Å; M129-W133 WeakPolarHBondContact O-CB 3.35Å; M129-W133 PolarHBondContact O-N 2.91Å; K130-W133 PolarHBondContact O-N 3.39Å; R131-W133 PolarHBondContact O-N 3.26Å; W133-D135 VanDerWaalsContact C-N 3.34Å; W133-V138 HydrophobicContact CE3-CG1 4.15Å; W133-Q139 VanDerWaalsContact CD2-NE2 3.3Å; W133-Q139 VanDerWaalsContact CE3-NE2 3.33Å; W133-Q139 PolarHBondContact O-NE2 3.19Å; W133-F142 HydrophobicContact CH2-CB 4.21Å; W133-F142 AromaticContact CH2-CD1 3.73Å; W133-F142 HydrophobicContact CH2-CD1 3.73Å; W133-F142 AromaticContact CH2-CD2 3.72Å; W133-F142 HydrophobicContact CH2-CD2 3.72Å; W133-F142 HydrophobicContact CH2-CE1 4.05Å; W133-F142 HydrophobicContact CH2-CE2 4.04Å; W133-F142 AromaticContact CH2-CG 3.57Å; W133-F142 HydrophobicContact CH2-CG 3.57Å; W133-F142 HydrophobicContact CH2-CZ 4.22Å; W133-F142 HydrophobicContact CZ3-CB 4.06Å; W133-F142 HydrophobicContact CZ3-CD1 4.42Å; W133-F142 HydrophobicContact CZ3-CD2 4.01Å; W133-F142 AromaticContact CZ3-CG 3.88Å; W133-F142 HydrophobicContact CZ3-CG 3.88Å; W133-K155 HydrophobicContact CZ2-CG 4.24Å; W133-L158 HydrophobicContact CD2-CB 3.61Å; W133-L158 HydrophobicContact CD2-CD1 4.14Å; W133-L158 HydrophobicContact CD2-CG 4.42Å; W133-L158 HydrophobicContact CE3-CB 4.04Å; W133-L158 HydrophobicContact CE3-CD1 3.65Å; W133-L158 HydrophobicContact CE3-CG 4.4Å; W133-L158 HydrophobicContact CG-CB 3.94Å; W133-L158 HydrophobicContact CH2-CB 4.39Å; W133-L158 HydrophobicContact CH2-CD1 4.1Å; W133-L158 HydrophobicContact CZ2-CB 3.99Å; W133-L158 HydrophobicContact CZ3-CB 4.42Å; W133-L158 HydrophobicContact CZ3-CD1 3.64Å; W133-L158 PolarHBondContact NE1-O 3.33Å; W133-D159 PolarHBondContact NE1-OD1 2.97Å; W133-L161 HydrophobicContact CB-CD1 4.32Å
134A98.5Very high98.4Very high83 Ų8345.2 Ų45.269%0.68624%0.243SC*.Hα-helixtrans-80-12.1174.100000114.1K130 R131 L132K130-A134 WeakPolarHBondContact O-CB 3.4Å; K130-A134 PolarHBondContact O-N 2.7Å; R131-A134 PolarHBondContact O-N 2.65Å; L132-A134 PolarHBondContact O-N 3.2Å
135D98.7Very high98.4Very high18 Ų1840.6 Ų40.610%0.09622%0.22CC..  trans-67.8135.9-178-178.7-92000111.7G96 D97 R131 L132 W133 G137 V138 Q139G96-D135 VanDerWaalsContact CA-OD2 3.27Å; G96-D135 WeakPolarHBondContact CA-OD2 3.35Å; G96-D135 VanDerWaalsContact N-CG 3.31Å; G96-D135 PolarHBondContact N-OD1 3.47Å; G96-D135 PolarHBondContact N-OD2 3.48Å; D97-D135 PolarHBondContact N-OD2 2.97Å; D97-D135 VanDerWaalsContact N-OD2 3.08Å; R131-D135 PolarHBondContact O-N 3.48Å; L132-D135 VanDerWaalsContact O-CB 3.27Å; L132-D135 WeakPolarHBondContact O-CB 3.31Å; L132-D135 PolarHBondContact O-N 3.09Å; W133-D135 VanDerWaalsContact C-N 3.34Å; D135-G137 VanDerWaalsContact C-N 3.33Å; D135-G137 PolarHBondContact O-N 3.27Å; D135-G137 VanDerWaalsContact OD1-CA 3.31Å; D135-G137 WeakPolarHBondContact OD1-CA 3.41Å; D135-G137 PolarHBondContact OD1-N 3.11Å; D135-V138 HydrophobicContact CB-CB 4.12Å; D135-V138 HydrophobicContact CB-CG2 3.9Å; D135-V138 PolarHBondContact O-N 3.2Å; D135-V138 PolarHBondContact OD1-N 3.13Å; D135-V138 VanDerWaalsContact OD1-N 3.09Å; D135-Q139 WeakPolarHBondContact O-CG 3.44Å; D135-Q139 PolarHBondContact O-N 2.95Å
136S98.5Very high98.2Very high81 Ų8142.7 Ų42.757%0.56623%0.231SC*.Hα-helixtrans-65.3-35.1-176.857.20000113.2G96 Q139 E140G96-S136 WeakPolarHBondContact CA-OG 3.28Å; S136-Q139 PolarHBondContact O-N 3.48Å; S136-E140 WeakPolarHBondContact O-CB 3.48Å; S136-E140 PolarHBondContact O-N 3.48Å
137G98.6Very high98.1Very high2 Ų246.1 Ų46.12%0.02125%0.246CC..Hα-helixtrans-70.7-39.4177.300000111.9I93 Q94 D135 E140 C141I93-G137 WeakPolarHBondContact CG2-O 3.39Å; Q94-G137 WeakPolarHBondContact O-CA 3.3Å; D135-G137 VanDerWaalsContact C-N 3.33Å; D135-G137 PolarHBondContact O-N 3.27Å; D135-G137 VanDerWaalsContact OD1-CA 3.31Å; D135-G137 WeakPolarHBondContact OD1-CA 3.41Å; D135-G137 PolarHBondContact OD1-N 3.11Å; G137-E140 PolarHBondContact O-N 3.08Å; G137-C141 WeakPolarHBondContact O-CB 3.28Å; G137-C141 PolarHBondContact O-N 3.4Å
138V98.7Very high98Very high0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-62.7-44.7172.2175.60000110.7I84 L85 M88 F95 L132 W133 D135 C141 F142I84-V138 HydrophobicContact CG2-CG1 3.91Å; L85-V138 HydrophobicContact CD2-CG2 4.43Å; M88-V138 HydrophobicContact CE-CG2 4.19Å; M88-V138 HydrophobicContact SD-CB 4.31Å; M88-V138 HydrophobicContact SD-CG2 3.6Å; F95-V138 HydrophobicContact CD1-CG2 4.14Å; F95-V138 HydrophobicContact CE1-CG2 4.1Å; L132-V138 HydrophobicContact CB-CG2 4.49Å; L132-V138 HydrophobicContact CD2-CG2 4.36Å; L132-V138 WeakPolarHBondContact O-CB 3.4Å; L132-V138 VanDerWaalsContact O-CG1 3.28Å; L132-V138 WeakPolarHBondContact O-CG1 3.11Å; L132-V138 VanDerWaalsContact O-CG2 3.24Å; L132-V138 WeakPolarHBondContact O-CG2 3.42Å; W133-V138 HydrophobicContact CE3-CG1 4.15Å; D135-V138 HydrophobicContact CB-CB 4.12Å; D135-V138 HydrophobicContact CB-CG2 3.9Å; D135-V138 PolarHBondContact O-N 3.2Å; D135-V138 PolarHBondContact OD1-N 3.13Å; D135-V138 VanDerWaalsContact OD1-N 3.09Å; V138-C141 PolarHBondContact O-N 3.49Å; V138-F142 WeakPolarHBondContact O-CB 3.35Å; V138-F142 PolarHBondContact O-N 3.46Å
139Q98.7Very high97.9Very high69 Ų6946.4 Ų46.432%0.32224%0.244SC..Hα-helixtrans-65.2-39176.4-72.9-61.4-45.500112.8W133 D135 S136 C141 F142 A143W133-Q139 VanDerWaalsContact CD2-NE2 3.3Å; W133-Q139 VanDerWaalsContact CE3-NE2 3.33Å; W133-Q139 PolarHBondContact O-NE2 3.19Å; D135-Q139 WeakPolarHBondContact O-CG 3.44Å; D135-Q139 PolarHBondContact O-N 2.95Å; S136-Q139 PolarHBondContact O-N 3.48Å; Q139-C141 VanDerWaalsContact C-N 3.35Å; Q139-F142 PolarHBondContact O-N 3.5Å; Q139-A143 PolarHBondContact O-N 3.34Å
140E98.4Very high97.8Very high106 Ų10647.1 Ų47.150%0.49525%0.248SC..Hα-helixtrans-59.7-45.9172.3-175.6-172.6153.100111.1I93 S136 G137 A143I93-E140 HydrophobicContact CD1-CG 4.41Å; I93-E140 HydrophobicContact CG2-CB 4.36Å; I93-E140 HydrophobicContact CG2-CG 4.49Å; S136-E140 WeakPolarHBondContact O-CB 3.48Å; S136-E140 PolarHBondContact O-N 3.48Å; G137-E140 PolarHBondContact O-N 3.08Å; E140-A143 WeakPolarHBondContact O-CB 3.47Å; E140-A143 PolarHBondContact O-N 3.07Å
141C98.6Very high97.6Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-65.9-38.9177.6-170.50000112.3I84 M88 I93 G137 V138 Q139 A143 R144 Y148I84-C141 HydrophobicContact CG2-CB 4.02Å; M88-C141 HydrophobicContact CG-CB 3.45Å; M88-C141 VanDerWaalsContact CG-CB 3.45Å; M88-C141 VanDerWaalsContact CG-SG 3.56Å; M88-C141 PolarHBondContact N-SG 2.91Å; M88-C141 VanDerWaalsContact N-SG 3.44Å; M88-C141 HydrophobicContact SD-CB 4.46Å; I93-C141 HydrophobicContact CD1-CB 3.69Å; G137-C141 WeakPolarHBondContact O-CB 3.28Å; G137-C141 PolarHBondContact O-N 3.4Å; V138-C141 PolarHBondContact O-N 3.49Å; Q139-C141 VanDerWaalsContact C-N 3.35Å; C141-A143 VanDerWaalsContact C-N 3.31Å; C141-A143 PolarHBondContact O-N 3.01Å; C141-R144 CarbonylContact O-C 3.55Å; C141-R144 PolarHBondContact O-N 3.07Å; C141-R144 VanDerWaalsContact O-N 3.13Å; C141-Y148 WeakPolarHBondContact O-CE1 3.43Å; C141-Y148 PolarHBondContact O-OH 2.85Å
142F98.3Very high97.3Very high36 Ų3643.2 Ų43.216%0.15824%0.238CC..Hα-helixtrans-62.5-37.5175.2177.1-104.6000112.3I84 W133 V138 Q139 R144 S145 Y148 L150 K155I84-F142 HydrophobicContact CD1-CD2 4.11Å; W133-F142 HydrophobicContact CH2-CB 4.21Å; W133-F142 AromaticContact CH2-CD1 3.73Å; W133-F142 HydrophobicContact CH2-CD1 3.73Å; W133-F142 AromaticContact CH2-CD2 3.72Å; W133-F142 HydrophobicContact CH2-CD2 3.72Å; W133-F142 HydrophobicContact CH2-CE1 4.05Å; W133-F142 HydrophobicContact CH2-CE2 4.04Å; W133-F142 AromaticContact CH2-CG 3.57Å; W133-F142 HydrophobicContact CH2-CG 3.57Å; W133-F142 HydrophobicContact CH2-CZ 4.22Å; W133-F142 HydrophobicContact CZ3-CB 4.06Å; W133-F142 HydrophobicContact CZ3-CD1 4.42Å; W133-F142 HydrophobicContact CZ3-CD2 4.01Å; W133-F142 AromaticContact CZ3-CG 3.88Å; W133-F142 HydrophobicContact CZ3-CG 3.88Å; V138-F142 WeakPolarHBondContact O-CB 3.35Å; V138-F142 PolarHBondContact O-N 3.46Å; Q139-F142 PolarHBondContact O-N 3.5Å; F142-R144 PolarHBondContact O-N 2.85Å; F142-R144 VanDerWaalsContact O-N 3.16Å; F142-S145 WeakPolarHBondContact O-CB 3.4Å; F142-S145 PolarHBondContact O-N 2.92Å; F142-S145 PolarHBondContact O-OG 2.97Å; F142-Y148 WeakPolarHBondContact CA-OH 3.38Å; F142-L150 HydrophobicContact CD2-CD2 3.58Å; F142-L150 HydrophobicContact CE2-CD2 3.61Å; F142-K155 HydrophobicContact CE1-CB 4.37Å; F142-K155 HydrophobicContact CE1-CD 4.17Å; F142-K155 HydrophobicContact CE1-CG 4.44Å; F142-K155 HydrophobicContact CE2-CB 4.35Å; F142-K155 HydrophobicContact CZ-CB 3.71Å; F142-K155 HydrophobicContact CZ-CD 4.23Å; F142-K155 HydrophobicContact CZ-CG 4.26Å
143A96.7Very high97.2Very high62 Ų6244 Ų4451%0.51224%0.244SC..Hα-helixtrans-62-21.9175.800000113.3Q139 E140 C141Q139-A143 PolarHBondContact O-N 3.34Å; E140-A143 WeakPolarHBondContact O-CB 3.47Å; E140-A143 PolarHBondContact O-N 3.07Å; C141-A143 VanDerWaalsContact C-N 3.31Å; C141-A143 PolarHBondContact O-N 3.01Å
144R96.8Very high97.2Very high75 Ų7543 Ų4328%0.28324%0.24SC..THydrogen-bonded Turntrans-99.819.9176.6-64174.765.6-173.5-3113.2L91 C141 F142 N146 E147 Y148L91-R144 HydrophobicContact CD1-CB 4.23Å; C141-R144 CarbonylContact O-C 3.55Å; C141-R144 PolarHBondContact O-N 3.07Å; C141-R144 VanDerWaalsContact O-N 3.13Å; F142-R144 PolarHBondContact O-N 2.85Å; F142-R144 VanDerWaalsContact O-N 3.16Å; R144-N146 PolarHBondContact O-N 2.81Å; R144-E147 WeakPolarHBondContact CB-OE1 3.35Å; R144-E147 IonicContact CZ-OE1 2.84Å; R144-E147 IonicContact CZ-OE2 3.29Å; R144-E147 IonicContact NE-OE1 3.63Å; R144-E147 PolarHBondContact NE-OE1 2.74Å; R144-E147 IonicContact NE-OE2 2.58Å; R144-E147 PolarHBondContact NE-OE2 3.37Å; R144-E147 IonicContact NH2-OE1 3.24Å; R144-E147 PolarHBondContact NH2-OE1 3.13Å; R144-E147 IonicContact NH2-OE2 2.81Å; R144-E147 PolarHBondContact NH2-OE2 2.86Å; R144-E147 WeakPolarHBondContact O-CB 3.24Å; R144-E147 PolarHBondContact O-N 3.18Å; R144-Y148 WeakPolarHBondContact O-CE1 3.36Å
145S96.8Very high97.2Very high20 Ų2043.9 Ų43.914%0.1423%0.229CC..THydrogen-bonded Turntrans-62.6-6-178.2500000115.9F142 E147F142-S145 WeakPolarHBondContact O-CB 3.4Å; F142-S145 PolarHBondContact O-N 2.92Å; F142-S145 PolarHBondContact O-OG 2.97Å; S145-E147 VanDerWaalsContact C-N 3.3Å
146N95.1Very high97.2Very high49 Ų4945.9 Ų45.926%0.26224%0.235SC..THydrogen-bonded Turntrans-75.7-18.3166.962.5-70.8000113R144 D233 Q234R144-N146 PolarHBondContact O-N 2.81Å; N146-D233 HydrophobicContact CB-CB 4.49Å; N146-D233 WeakPolarHBondContact CB-OD2 3.43Å; N146-Q234 HydrophobicContact CB-CG 4.41Å
147E95.8Very high97.2Very high96 Ų9642.1 Ų42.145%0.44921%0.209SC..SBendtrans-86.9-7.6-177.6-61.2178.2-133.400113.6R144 S145R144-E147 WeakPolarHBondContact CB-OE1 3.35Å; R144-E147 IonicContact CZ-OE1 2.84Å; R144-E147 IonicContact CZ-OE2 3.29Å; R144-E147 IonicContact NE-OE1 3.63Å; R144-E147 PolarHBondContact NE-OE1 2.74Å; R144-E147 IonicContact NE-OE2 2.58Å; R144-E147 PolarHBondContact NE-OE2 3.37Å; R144-E147 IonicContact NH2-OE1 3.24Å; R144-E147 PolarHBondContact NH2-OE1 3.13Å; R144-E147 IonicContact NH2-OE2 2.81Å; R144-E147 PolarHBondContact NH2-OE2 2.86Å; R144-E147 WeakPolarHBondContact O-CB 3.24Å; R144-E147 PolarHBondContact O-N 3.18Å; S145-E147 VanDerWaalsContact C-N 3.3Å
148Y96.9Very high97.2Very high30 Ų3042.1 Ų42.112%0.11821%0.208CC..SBendtrans-147.2172.3179.260.2-85.8000111.5I84 A87 L91 C141 F142 R144 L150I84-Y148 HydrophobicContact CG1-CE2 4.31Å; A87-Y148 HydrophobicContact CB-CD1 3.43Å; A87-Y148 VanDerWaalsContact CB-CD1 3.43Å; A87-Y148 HydrophobicContact CB-CD2 3.56Å; A87-Y148 HydrophobicContact CB-CE1 3.57Å; A87-Y148 HydrophobicContact CB-CE2 3.71Å; A87-Y148 HydrophobicContact CB-CG 3.42Å; A87-Y148 VanDerWaalsContact CB-CG 3.42Å; L91-Y148 HydrophobicContact CD1-CD1 4.27Å; L91-Y148 HydrophobicContact CD1-CE1 4.35Å; C141-Y148 WeakPolarHBondContact O-CE1 3.43Å; C141-Y148 PolarHBondContact O-OH 2.85Å; F142-Y148 WeakPolarHBondContact CA-OH 3.38Å; R144-Y148 WeakPolarHBondContact O-CE1 3.36Å; Y148-L150 HydrophobicContact CD2-CB 4.15Å; Y148-L150 HydrophobicContact CE2-CB 3.8Å; Y148-L150 HydrophobicContact CE2-CD1 4.42Å; Y148-L150 HydrophobicContact CE2-CD2 4.17Å; Y148-L150 HydrophobicContact CE2-CG 4.35Å; Y148-L150 PolarHBondContact O-N 2.77Å
149Q96.1Very high97.2Very high49 Ų4946.1 Ų46.123%0.22923%0.23CC..  trans-82.9102-177.4-55.5-60.7-34.200110.3V235Q149-V235 PolarHBondContact NE2-O 2.96Å; Q149-V235 VanDerWaalsContact NE2-O 3.12Å
150L97.2Very high97.2Very high16 Ų1645.7 Ų45.78%0.08423%0.23CC..  trans-126.4138.7174.4-172.162.9000110.7S80 A83 I84 F142 Y148 A154S80-L150 WeakPolarHBondContact O-CD1 3.44Å; A83-L150 HydrophobicContact CB-CD1 3.97Å; I84-L150 HydrophobicContact CD1-CD1 4.32Å; I84-L150 HydrophobicContact CD1-CD2 4.25Å; I84-L150 HydrophobicContact CG1-CD1 3.89Å; I84-L150 HydrophobicContact CG1-CD2 4.01Å; F142-L150 HydrophobicContact CD2-CD2 3.58Å; F142-L150 HydrophobicContact CE2-CD2 3.61Å; Y148-L150 HydrophobicContact CD2-CB 4.15Å; Y148-L150 HydrophobicContact CE2-CB 3.8Å; Y148-L150 HydrophobicContact CE2-CD1 4.42Å; Y148-L150 HydrophobicContact CE2-CD2 4.17Å; Y148-L150 HydrophobicContact CE2-CG 4.35Å; Y148-L150 PolarHBondContact O-N 2.77Å; L150-A154 HydrophobicContact CD1-CB 3.84Å; L150-A154 HydrophobicContact CD2-CB 3.99Å; L150-A154 HydrophobicContact CG-CB 3.84Å
151N94Very high97.2Very high41 Ų4141 Ų4122%0.21921%0.208CC..  trans-67.5134.8174.9-69.3-39.4000110.5S153 A154N151-S153 PolarHBondContact O-N 2.86Å; N151-S153 VanDerWaalsContact O-N 3.08Å; N151-A154 WeakPolarHBondContact O-CB 3.46Å; N151-A154 PolarHBondContact O-N 2.97Å
152D94.1Very high97.1Very high52 Ų5245.7 Ų45.728%0.27823%0.233SC..THydrogen-bonded Turntrans-55.9-29.2176.8-69.9-31000113.4A154 K272 L275D152-A154 VanDerWaalsContact C-N 3.25Å; D152-A154 PolarHBondContact O-N 2.83Å; D152-K272 WeakPolarHBondContact OD2-CD 3.49Å; D152-K272 VanDerWaalsContact OD2-CE 3.25Å; D152-K272 WeakPolarHBondContact OD2-CE 3.44Å; D152-K272 IonicContact OD2-NZ 2.67Å; D152-K272 PolarHBondContact OD2-NZ 3.45Å; D152-L275 HydrophobicContact CB-CD1 3.59Å
153S96.6Very high97.2Very high17 Ų1746.9 Ų46.912%0.11924%0.236CC..THydrogen-bonded Turntrans-78-2.8177.9-54.30000114.3N151 K155 Y156 F157 R178N151-S153 PolarHBondContact O-N 2.86Å; N151-S153 VanDerWaalsContact O-N 3.08Å; S153-K155 PolarHBondContact O-N 3.27Å; S153-Y156 WeakPolarHBondContact O-CB 3.27Å; S153-Y156 PolarHBondContact O-N 3.01Å; S153-Y156 VanDerWaalsContact O-N 3.17Å; S153-F157 WeakPolarHBondContact O-CD2 3.22Å; S153-F157 PolarHBondContact O-N 3.24Å; S153-R178 VanDerWaalsContact CB-O 3.26Å; S153-R178 WeakPolarHBondContact CB-O 3.25Å; S153-R178 PolarHBondContact OG-O 2.89Å
154A98.3Very high97.2Very high1 Ų144 Ų441%0.00821%0.212CC..Hα-helixtrans-53.3-53.3-175.900000111.6L150 N151 D152 Y156 F157 L158L150-A154 HydrophobicContact CD1-CB 3.84Å; L150-A154 HydrophobicContact CD2-CB 3.99Å; L150-A154 HydrophobicContact CG-CB 3.84Å; N151-A154 WeakPolarHBondContact O-CB 3.46Å; N151-A154 PolarHBondContact O-N 2.97Å; D152-A154 VanDerWaalsContact C-N 3.25Å; D152-A154 PolarHBondContact O-N 2.83Å; A154-Y156 VanDerWaalsContact C-N 3.33Å; A154-Y156 PolarHBondContact O-N 3.45Å; A154-F157 PolarHBondContact O-N 3.12Å; A154-L158 HydrophobicContact CB-CD1 4.37Å; A154-L158 VanDerWaalsContact O-CB 3.32Å; A154-L158 WeakPolarHBondContact O-CB 3.43Å; A154-L158 WeakPolarHBondContact O-CG 3.35Å; A154-L158 PolarHBondContact O-N 3.04Å
155K98Very high97.3Very high102 Ų10241.3 Ų41.344%0.44321%0.208SC..Hα-helixtrans-57.7-44.4178.7-173177.8-167.5-55.10112.5W133 F142 S153 F157 L158 D159W133-K155 HydrophobicContact CZ2-CG 4.24Å; F142-K155 HydrophobicContact CE1-CB 4.37Å; F142-K155 HydrophobicContact CE1-CD 4.17Å; F142-K155 HydrophobicContact CE1-CG 4.44Å; F142-K155 HydrophobicContact CE2-CB 4.35Å; F142-K155 HydrophobicContact CZ-CB 3.71Å; F142-K155 HydrophobicContact CZ-CD 4.23Å; F142-K155 HydrophobicContact CZ-CG 4.26Å; S153-K155 PolarHBondContact O-N 3.27Å; K155-F157 VanDerWaalsContact C-N 3.3Å; K155-F157 PolarHBondContact O-N 2.96Å; K155-L158 PolarHBondContact O-N 2.94Å; K155-D159 WeakPolarHBondContact CG-OD2 3.31Å; K155-D159 IonicContact NZ-OD1 3.46Å; K155-D159 IonicContact NZ-OD2 3.9Å; K155-D159 PolarHBondContact NZ-OD2 2.77Å; K155-D159 VanDerWaalsContact O-CB 3.26Å; K155-D159 WeakPolarHBondContact O-CB 3.48Å; K155-D159 PolarHBondContact O-N 3.43Å
156Y98.4Very high97.3Very high60 Ų6042 Ų4224%0.23522%0.215CC..Hα-helixtrans-57.1-42.7-179171.2-98000112.3S153 A154 Q174 D175 R178S153-Y156 WeakPolarHBondContact O-CB 3.27Å; S153-Y156 PolarHBondContact O-N 3.01Å; S153-Y156 VanDerWaalsContact O-N 3.17Å; A154-Y156 VanDerWaalsContact C-N 3.33Å; A154-Y156 PolarHBondContact O-N 3.45Å; Y156-Q174 HydrophobicContact CE2-CG 3.91Å; Y156-Q174 WeakPolarHBondContact OH-CG 3.2Å; Y156-D175 WeakPolarHBondContact CE1-OD1 3.42Å; Y156-D175 PolarHBondContact OH-OD1 2.92Å; Y156-R178 HydrophobicContact CD1-CB 3.93Å; Y156-R178 HydrophobicContact CD1-CG 3.84Å; Y156-R178 HydrophobicContact CE1-CB 4.12Å; Y156-R178 HydrophobicContact CE1-CG 4Å; Y156-R178 HydrophobicContact CG-CG 4.19Å
157F98.7Very high97.3Very high1 Ų148.8 Ų48.80%0.00424%0.242CC..Hα-helixtrans-82.2-37.8179.5-66.4-55.6000113.3V73 N76 T77 S153 A154 K155 D160 L164 D175 R178V73-F157 HydrophobicContact CG1-CD1 3.93Å; V73-F157 HydrophobicContact CG1-CE1 3.68Å; V73-F157 HydrophobicContact CG1-CZ 4.24Å; V73-F157 HydrophobicContact CG2-CE1 4.35Å; V73-F157 HydrophobicContact CG2-CZ 4.43Å; N76-F157 HydrophobicContact CB-CE2 4.49Å; T77-F157 HydrophobicContact CG2-CB 4.05Å; T77-F157 VanDerWaalsContact OG1-CB 3.29Å; T77-F157 WeakPolarHBondContact OG1-CB 3.5Å; S153-F157 WeakPolarHBondContact O-CD2 3.22Å; S153-F157 PolarHBondContact O-N 3.24Å; A154-F157 PolarHBondContact O-N 3.12Å; K155-F157 VanDerWaalsContact C-N 3.3Å; K155-F157 PolarHBondContact O-N 2.96Å; F157-D160 PolarHBondContact O-N 3.47Å; F157-L164 HydrophobicContact CB-CD2 3.97Å; F157-L164 HydrophobicContact CD1-CD2 3.9Å; F157-L164 HydrophobicContact CG-CD2 4.29Å; F157-D175 HydrophobicContact CE1-CB 4.11Å; F157-R178 HydrophobicContact CE2-CB 4.17Å; F157-R178 HydrophobicContact CZ-CB 3.81Å
158L98.7Very high97.3Very high2 Ų250.9 Ų50.91%0.0126%0.257CS..Hα-helixtrans-71.8-29-178.1-67.5173.7000112.6T77 M81 I84 W133 A154 K155 D160 L161T77-L158 HydrophobicContact CG2-CD2 3.9Å; M81-L158 HydrophobicContact CB-CD2 4.4Å; M81-L158 HydrophobicContact CE-CD2 3.8Å; I84-L158 HydrophobicContact CD1-CD1 3.87Å; W133-L158 HydrophobicContact CD2-CB 3.61Å; W133-L158 HydrophobicContact CD2-CD1 4.14Å; W133-L158 HydrophobicContact CD2-CG 4.42Å; W133-L158 HydrophobicContact CE3-CB 4.04Å; W133-L158 HydrophobicContact CE3-CD1 3.65Å; W133-L158 HydrophobicContact CE3-CG 4.4Å; W133-L158 HydrophobicContact CG-CB 3.94Å; W133-L158 HydrophobicContact CH2-CB 4.39Å; W133-L158 HydrophobicContact CH2-CD1 4.1Å; W133-L158 HydrophobicContact CZ2-CB 3.99Å; W133-L158 HydrophobicContact CZ3-CB 4.42Å; W133-L158 HydrophobicContact CZ3-CD1 3.64Å; W133-L158 PolarHBondContact NE1-O 3.33Å; A154-L158 HydrophobicContact CB-CD1 4.37Å; A154-L158 VanDerWaalsContact O-CB 3.32Å; A154-L158 WeakPolarHBondContact O-CB 3.43Å; A154-L158 WeakPolarHBondContact O-CG 3.35Å; A154-L158 PolarHBondContact O-N 3.04Å; K155-L158 PolarHBondContact O-N 2.94Å; L158-D160 PolarHBondContact O-N 2.93Å; L158-L161 HydrophobicContact CD2-CD2 4.37Å; L158-L161 WeakPolarHBondContact O-CD1 3.42Å; L158-L161 WeakPolarHBondContact O-CG 3.24Å
159D98.5Very high97.3Very high85 Ų8549.9 Ų49.946%0.45525%0.253SS..THydrogen-bonded Turntrans-69-18.6173.6-73.8-11.2000113.4W133 K155W133-D159 PolarHBondContact NE1-OD1 2.97Å; K155-D159 WeakPolarHBondContact CG-OD2 3.31Å; K155-D159 IonicContact NZ-OD1 3.46Å; K155-D159 IonicContact NZ-OD2 3.9Å; K155-D159 PolarHBondContact NZ-OD2 2.77Å; K155-D159 VanDerWaalsContact O-CB 3.26Å; K155-D159 WeakPolarHBondContact O-CB 3.48Å; K155-D159 PolarHBondContact O-N 3.43Å
160D98.2Very high97.3Very high60 Ų6051.1 Ų51.132%0.32126%0.259SS..THydrogen-bonded Turntrans-125.432-168.9-154.8-2.1000112.4F157 L158 D162 R163 L164F157-D160 PolarHBondContact O-N 3.47Å; L158-D160 PolarHBondContact O-N 2.93Å; D160-D162 PolarHBondContact O-N 3.4Å; D160-R163 PolarHBondContact O-N 3.35Å; D160-R163 WeakPolarHBondContact OD1-CB 3.3Å; D160-R163 IonicContact OD1-NE 3.39Å; D160-R163 IonicContact OD2-CZ 2.7Å; D160-R163 IonicContact OD2-NE 3.27Å; D160-R163 PolarHBondContact OD2-NE 3.46Å; D160-R163 IonicContact OD2-NH2 2.92Å; D160-R163 PolarHBondContact OD2-NH2 2.88Å; D160-L164 HydrophobicContact CB-CD1 4.36Å; D160-L164 VanDerWaalsContact O-CD1 3.27Å; D160-L164 WeakPolarHBondContact O-CD1 3.47Å; D160-L164 PolarHBondContact O-N 2.89Å
161L98.7Very high97.4Very high6 Ų650.4 Ų50.43%0.03126%0.256CS..Hα-helixtrans-55.1-35.9-177.4-76.5170000112.9T77 F121 L126 M129 K130 W133 L158 R163 L164 G165T77-L161 HydrophobicContact CG2-CD2 3.85Å; F121-L161 HydrophobicContact CE2-CD2 4.19Å; L126-L161 HydrophobicContact CD1-CB 3.95Å; L126-L161 VanDerWaalsContact CD1-O 3.26Å; L126-L161 WeakPolarHBondContact CD1-O 3.46Å; M129-L161 HydrophobicContact CB-CD1 3.83Å; M129-L161 HydrophobicContact CB-CD2 4.24Å; M129-L161 HydrophobicContact CE-CD2 3.93Å; M129-L161 HydrophobicContact SD-CD2 4.33Å; K130-L161 HydrophobicContact CB-CD1 4.5Å; K130-L161 HydrophobicContact CG-CB 3.9Å; K130-L161 HydrophobicContact CG-CD1 3.88Å; W133-L161 HydrophobicContact CB-CD1 4.32Å; L158-L161 HydrophobicContact CD2-CD2 4.37Å; L158-L161 WeakPolarHBondContact O-CD1 3.42Å; L158-L161 WeakPolarHBondContact O-CG 3.24Å; L161-R163 VanDerWaalsContact C-N 3.35Å; L161-R163 PolarHBondContact O-N 3.24Å; L161-L164 PolarHBondContact O-N 3.16Å; L161-G165 PolarHBondContact O-N 3.11Å
162D98.3Very high97.5Very high99 Ų9951.4 Ų51.453%0.52926%0.264SS..Hα-helixtrans-61.2-41.2177.5-75.4-46.6000112.3K130 D160 A166K130-D162 WeakPolarHBondContact CE-OD1 3.39Å; K130-D162 IonicContact NZ-OD1 3.73Å; K130-D162 PolarHBondContact NZ-OD1 2.85Å; K130-D162 IonicContact NZ-OD2 2.74Å; K130-D162 PolarHBondContact NZ-OD2 2.99Å; D160-D162 PolarHBondContact O-N 3.4Å; D162-A166 PolarHBondContact O-N 3.14Å
163R98.4Very high97.6Very high62 Ų6252.8 Ų52.823%0.23427%0.268CS..Hα-helixtrans-68.6-42.7176-178.1179.460.988.52.6111.5D160 L161 G165 A166 Y169 D175D160-R163 PolarHBondContact O-N 3.35Å; D160-R163 WeakPolarHBondContact OD1-CB 3.3Å; D160-R163 IonicContact OD1-NE 3.39Å; D160-R163 IonicContact OD2-CZ 2.7Å; D160-R163 IonicContact OD2-NE 3.27Å; D160-R163 PolarHBondContact OD2-NE 3.46Å; D160-R163 IonicContact OD2-NH2 2.92Å; D160-R163 PolarHBondContact OD2-NH2 2.88Å; L161-R163 VanDerWaalsContact C-N 3.35Å; L161-R163 PolarHBondContact O-N 3.24Å; R163-G165 VanDerWaalsContact C-N 3.32Å; R163-G165 PolarHBondContact O-N 3.33Å; R163-A166 WeakPolarHBondContact O-CB 3.39Å; R163-A166 PolarHBondContact O-N 3.23Å; R163-Y169 HydrophobicContact CG-CD2 4.36Å; R163-Y169 VanDerWaalsContact O-CD2 3.3Å; R163-Y169 WeakPolarHBondContact O-CD2 3.38Å; R163-D175 IonicContact CZ-OD1 2.65Å; R163-D175 IonicContact CZ-OD2 3.78Å; R163-D175 VanDerWaalsContact NH1-CG 3.35Å; R163-D175 IonicContact NH1-OD1 3.2Å; R163-D175 PolarHBondContact NH1-OD1 2.8Å; R163-D175 IonicContact NH1-OD2 2.91Å; R163-D175 PolarHBondContact NH1-OD2 3.07Å; R163-D175 IonicContact NH2-OD1 2.68Å; R163-D175 PolarHBondContact NH2-OD1 2.67Å; R163-D175 IonicContact NH2-OD2 2.74Å
164L98.1Very high97.7Very high0 Ų054.9 Ų54.90%028%0.276CS..Hα-helixtrans-67.2-34.5-179.8-85.166.4000111.9V73 Y74 T77 F121 F157 D160 L161 A166 Y169V73-L164 HydrophobicContact CG1-CD2 3.8Å; V73-L164 HydrophobicContact CG1-CG 4.19Å; Y74-L164 WeakPolarHBondContact CE1-O 3.45Å; T77-L164 HydrophobicContact CG2-CD2 4.15Å; T77-L164 WeakPolarHBondContact OG1-CD2 3.25Å; F121-L164 HydrophobicContact CE2-CB 3.74Å; F121-L164 HydrophobicContact CZ-CB 4.4Å; F157-L164 HydrophobicContact CB-CD2 3.97Å; F157-L164 HydrophobicContact CD1-CD2 3.9Å; F157-L164 HydrophobicContact CG-CD2 4.29Å; D160-L164 HydrophobicContact CB-CD1 4.36Å; D160-L164 VanDerWaalsContact O-CD1 3.27Å; D160-L164 WeakPolarHBondContact O-CD1 3.47Å; D160-L164 PolarHBondContact O-N 2.89Å; L161-L164 PolarHBondContact O-N 3.16Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-Y169 HydrophobicContact CG-CE2 4.49Å
165G97.8Very high97.6Very high20 Ų2054.8 Ų54.821%0.20628%0.276CS..Hα-helixtrans-79.8-8.5178.400000115L161 R163L161-G165 PolarHBondContact O-N 3.11Å; R163-G165 VanDerWaalsContact C-N 3.32Å; R163-G165 PolarHBondContact O-N 3.33Å
166A97.9Very high97.6Very high34 Ų3450 Ų5028%0.28126%0.255SS..SBendtrans-61.9140.6178.200000111.9D162 R163 L164 D168 Y169D162-A166 PolarHBondContact O-N 3.14Å; R163-A166 WeakPolarHBondContact O-CB 3.39Å; R163-A166 PolarHBondContact O-N 3.23Å; L164-A166 VanDerWaalsContact C-N 3.34Å; A166-D168 PolarHBondContact O-N 3.01Å; A166-Y169 WeakPolarHBondContact O-CB 3.41Å; A166-Y169 PolarHBondContact O-N 3.49Å
167K95.3Very high97.6Very high191 Ų19147.2 Ų47.283%0.8324%0.244SC*.THydrogen-bonded Turntrans-60.6-34.7-176.3-68.4-178.4179.5175.60112.7
168D95.2Very high97.6Very high141 Ų14149.1 Ų49.175%0.75425%0.251SS*.THydrogen-bonded Turntrans-96.210.5178.963.9-32.7000113.4A166 M170A166-D168 PolarHBondContact O-N 3.01Å; D168-M170 PolarHBondContact O-N 3.32Å
169Y97.3Very high97.5Very high8 Ų849.4 Ų49.43%0.03125%0.253CS..  trans-49.3130.4178.7171.7-115.9000111.9K70 V73 Y74 R163 L164 A166 P171 D175K70-Y169 HydrophobicContact CD-CD1 4.44Å; K70-Y169 VanDerWaalsContact CE-O 3.25Å; K70-Y169 WeakPolarHBondContact CE-O 3.39Å; K70-Y169 HydrophobicContact CG-CD1 4.26Å; K70-Y169 HydrophobicContact CG-CE1 4.25Å; K70-Y169 PolarHBondContact NZ-O 3.17Å; V73-Y169 HydrophobicContact CG1-CE1 4.33Å; Y74-Y169 AromaticContact CE1-CD1 3.8Å; Y74-Y169 HydrophobicContact CE1-CD1 3.8Å; Y74-Y169 HydrophobicContact CE1-CE1 4.02Å; Y74-Y169 AromaticContact CZ-CD1 3.81Å; Y74-Y169 WeakPolarHBondContact OH-CD1 3.34Å; R163-Y169 HydrophobicContact CG-CD2 4.36Å; R163-Y169 VanDerWaalsContact O-CD2 3.3Å; R163-Y169 WeakPolarHBondContact O-CD2 3.38Å; L164-Y169 HydrophobicContact CG-CE2 4.49Å; A166-Y169 WeakPolarHBondContact O-CB 3.41Å; A166-Y169 PolarHBondContact O-N 3.49Å; Y169-P171 HydrophobicContact CE1-CG 4.12Å; Y169-P171 WeakPolarHBondContact OH-CA 3.36Å; Y169-D175 PolarHBondContact OH-OD2 3.41Å; Y169-D175 VanDerWaalsContact OH-OD2 3.06Å
170M96.6Very high97.4Very high75 Ų7547.7 Ų47.737%0.36924%0.24SC..  trans-131.4133.5170.2-170.260.860.300108.7N66 K67 D168 T172N66-M170 HydrophobicContact CB-CG 3.96Å; N66-M170 HydrophobicContact CB-SD 3.74Å; K67-M170 HydrophobicContact CG-CE 3.92Å; K67-M170 HydrophobicContact CG-SD 4.05Å; D168-M170 PolarHBondContact O-N 3.32Å; M170-T172 PolarHBondContact O-N 2.96Å
171P97.9Very high97.3Very high2 Ų248.9 Ų48.91%0.01325%0.25CC..  trans-56.1131.1175-28.337.1000112.2N66 K70 V73 Y169 D175 I176N66-P171 PolarHBondContact ND2-O 2.86Å; N66-P171 WeakPolarHBondContact O-CD 3.45Å; N66-P171 WeakPolarHBondContact O-CG 3.44Å; K70-P171 HydrophobicContact CB-CG 3.75Å; K70-P171 HydrophobicContact CG-CG 4.37Å; V73-P171 HydrophobicContact CG2-CB 4.41Å; V73-P171 HydrophobicContact CG2-CG 4.24Å; Y169-P171 HydrophobicContact CE1-CG 4.12Å; Y169-P171 WeakPolarHBondContact OH-CA 3.36Å; P171-D175 WeakPolarHBondContact CA-OD2 3.2Å; P171-D175 HydrophobicContact CB-CB 4.07Å; P171-I176 HydrophobicContact CB-CG1 4.09Å
172T96.7Very high97Very high62 Ų6254.4 Ų54.438%0.3827%0.273SS..  trans-78.6165.3166.963.60000109.9M170 Q174 D175 I176M170-T172 PolarHBondContact O-N 2.96Å; T172-Q174 PolarHBondContact O-N 2.82Å; T172-Q174 PolarHBondContact OG1-N 3.24Å; T172-D175 PolarHBondContact N-OD2 3.15Å; T172-D175 WeakPolarHBondContact O-CB 3.17Å; T172-D175 PolarHBondContact O-N 3.16Å; T172-D175 VanDerWaalsContact O-N 3.1Å; T172-D175 VanDerWaalsContact OG1-CG 3.22Å; T172-D175 PolarHBondContact OG1-N 3.12Å; T172-D175 VanDerWaalsContact OG1-N 3.1Å; T172-D175 PolarHBondContact OG1-OD2 3.4Å; T172-I176 WeakPolarHBondContact O-CG1 3.3Å; T172-I176 PolarHBondContact O-N 2.75Å
173E96.6Very high96.8Very high81 Ų8150.8 Ų50.838%0.37926%0.255SS..Hα-helixtrans-56.5-34.1171.3-63.2-170.6141.500111.7I55 F61 I176 L177I55-E173 HydrophobicContact CD1-CB 4.13Å; F61-E173 HydrophobicContact CD2-CG 4.35Å; E173-I176 PolarHBondContact O-N 3.47Å; E173-L177 WeakPolarHBondContact O-CB 3.33Å; E173-L177 VanDerWaalsContact O-CG 3.28Å; E173-L177 WeakPolarHBondContact O-CG 3.46Å; E173-L177 PolarHBondContact O-N 3.08Å
174Q97.3Very high96.6Very high60 Ų6052.8 Ų52.828%0.2827%0.274SS..Hα-helixtrans-68.5-39.3177.1-169.463.9-3.700112.7Y156 T172 I176 L177 R178 T328Y156-Q174 HydrophobicContact CE2-CG 3.91Å; Y156-Q174 WeakPolarHBondContact OH-CG 3.2Å; T172-Q174 PolarHBondContact O-N 2.82Å; T172-Q174 PolarHBondContact OG1-N 3.24Å; Q174-I176 VanDerWaalsContact C-N 3.31Å; Q174-I176 PolarHBondContact O-N 2.72Å; Q174-L177 PolarHBondContact O-N 3.29Å; Q174-R178 WeakPolarHBondContact O-CB 3.26Å; Q174-R178 WeakPolarHBondContact O-CG 3.35Å; Q174-R178 PolarHBondContact O-N 2.83Å; Q174-T328 PolarHBondContact OE1-O 2.92Å
175D98Very high96.4Very high0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-59.7-46.5171.8-61.7-48.7000110V73 Y156 F157 R163 Y169 P171 T172 L177 R178 T179V73-D175 HydrophobicContact CG2-CB 4.08Å; Y156-D175 WeakPolarHBondContact CE1-OD1 3.42Å; Y156-D175 PolarHBondContact OH-OD1 2.92Å; F157-D175 HydrophobicContact CE1-CB 4.11Å; R163-D175 IonicContact CZ-OD1 2.65Å; R163-D175 IonicContact CZ-OD2 3.78Å; R163-D175 VanDerWaalsContact NH1-CG 3.35Å; R163-D175 IonicContact NH1-OD1 3.2Å; R163-D175 PolarHBondContact NH1-OD1 2.8Å; R163-D175 IonicContact NH1-OD2 2.91Å; R163-D175 PolarHBondContact NH1-OD2 3.07Å; R163-D175 IonicContact NH2-OD1 2.68Å; R163-D175 PolarHBondContact NH2-OD1 2.67Å; R163-D175 IonicContact NH2-OD2 2.74Å; Y169-D175 PolarHBondContact OH-OD2 3.41Å; Y169-D175 VanDerWaalsContact OH-OD2 3.06Å; P171-D175 WeakPolarHBondContact CA-OD2 3.2Å; P171-D175 HydrophobicContact CB-CB 4.07Å; T172-D175 PolarHBondContact N-OD2 3.15Å; T172-D175 WeakPolarHBondContact O-CB 3.17Å; T172-D175 PolarHBondContact O-N 3.16Å; T172-D175 VanDerWaalsContact O-N 3.1Å; T172-D175 VanDerWaalsContact OG1-CG 3.22Å; T172-D175 PolarHBondContact OG1-N 3.12Å; T172-D175 VanDerWaalsContact OG1-N 3.1Å; T172-D175 PolarHBondContact OG1-OD2 3.4Å; D175-L177 PolarHBondContact O-N 3.36Å; D175-R178 CarbonylContact O-C 3.57Å; D175-R178 PolarHBondContact O-N 3.46Å; D175-R178 VanDerWaalsContact O-N 3.09Å; D175-T179 WeakPolarHBondContact O-CG2 2.97Å; D175-T179 PolarHBondContact O-N 3.4Å
176I97.8Very high96.2Very high0 Ų056.1 Ų56.10%029%0.291CS..Hα-helixtrans-61.4-44.5-179.6-64.6170.1000110.9K51 F61 N66 Y69 P171 T172 E173 Q174 R178 T179K51-I176 HydrophobicContact CD-CG2 4.29Å; K51-I176 PolarHBondContact NZ-O 2.88Å; F61-I176 HydrophobicContact CB-CD1 3.88Å; F61-I176 HydrophobicContact CD1-CD1 4.24Å; F61-I176 HydrophobicContact CD1-CG2 4.23Å; F61-I176 HydrophobicContact CD2-CD1 4.01Å; F61-I176 HydrophobicContact CD2-CG2 4.14Å; F61-I176 HydrophobicContact CE1-CG2 3.84Å; F61-I176 HydrophobicContact CE2-CB 4.45Å; F61-I176 HydrophobicContact CE2-CG2 3.74Å; F61-I176 HydrophobicContact CG-CD1 3.78Å; F61-I176 HydrophobicContact CG-CG2 4.38Å; F61-I176 HydrophobicContact CZ-CG2 3.59Å; N66-I176 WeakPolarHBondContact OD1-CD1 3.2Å; Y69-I176 HydrophobicContact CD1-CG2 4.15Å; Y69-I176 HydrophobicContact CD2-CB 4.41Å; Y69-I176 HydrophobicContact CD2-CD1 3.88Å; Y69-I176 HydrophobicContact CD2-CG1 3.8Å; Y69-I176 HydrophobicContact CD2-CG2 3.75Å; Y69-I176 HydrophobicContact CE1-CG2 4.06Å; Y69-I176 HydrophobicContact CE2-CG2 3.65Å; Y69-I176 HydrophobicContact CG-CB 4.43Å; Y69-I176 HydrophobicContact CG-CD1 4.39Å; Y69-I176 HydrophobicContact CG-CG1 3.84Å; Y69-I176 HydrophobicContact CG-CG2 4.01Å; P171-I176 HydrophobicContact CB-CG1 4.09Å; T172-I176 WeakPolarHBondContact O-CG1 3.3Å; T172-I176 PolarHBondContact O-N 2.75Å; E173-I176 PolarHBondContact O-N 3.47Å; Q174-I176 VanDerWaalsContact C-N 3.31Å; Q174-I176 PolarHBondContact O-N 2.72Å; I176-R178 PolarHBondContact O-N 3.24Å; I176-T179 PolarHBondContact O-N 2.78Å; I176-T179 PolarHBondContact O-OG1 3.01Å
177L97.8Very high96Very high3 Ų357.6 Ų57.62%0.01630%0.297CS..Hα-helixtrans-62-33.4175.9-73.6170.5000112.5T48 K51 Q52 I55 E173 Q174 D175 T328T48-L177 HydrophobicContact CG2-CB 4.36Å; T48-L177 HydrophobicContact CG2-CD2 3.84Å; K51-L177 HydrophobicContact CB-CD2 3.76Å; Q52-L177 HydrophobicContact CG-CD2 3.79Å; I55-L177 HydrophobicContact CD1-CD1 3.78Å; I55-L177 HydrophobicContact CD1-CD2 3.95Å; I55-L177 HydrophobicContact CD1-CG 3.91Å; E173-L177 WeakPolarHBondContact O-CB 3.33Å; E173-L177 VanDerWaalsContact O-CG 3.28Å; E173-L177 WeakPolarHBondContact O-CG 3.46Å; E173-L177 PolarHBondContact O-N 3.08Å; Q174-L177 PolarHBondContact O-N 3.29Å; D175-L177 PolarHBondContact O-N 3.36Å; L177-T328 HydrophobicContact CB-CG2 4.33Å
178R97.8Very high96Very high40 Ų4052.6 Ų52.615%0.15128%0.276CS..Hα-helixtrans-86.2-12.5-179.8-67.2-76.7-179.4-175.81.6113.7S153 Y156 F157 Q174 D175 I176 D274 T328S153-R178 VanDerWaalsContact CB-O 3.26Å; S153-R178 WeakPolarHBondContact CB-O 3.25Å; S153-R178 PolarHBondContact OG-O 2.89Å; Y156-R178 HydrophobicContact CD1-CB 3.93Å; Y156-R178 HydrophobicContact CD1-CG 3.84Å; Y156-R178 HydrophobicContact CE1-CB 4.12Å; Y156-R178 HydrophobicContact CE1-CG 4Å; Y156-R178 HydrophobicContact CG-CG 4.19Å; F157-R178 HydrophobicContact CE2-CB 4.17Å; F157-R178 HydrophobicContact CZ-CB 3.81Å; Q174-R178 WeakPolarHBondContact O-CB 3.26Å; Q174-R178 WeakPolarHBondContact O-CG 3.35Å; Q174-R178 PolarHBondContact O-N 2.83Å; D175-R178 CarbonylContact O-C 3.57Å; D175-R178 PolarHBondContact O-N 3.46Å; D175-R178 VanDerWaalsContact O-N 3.09Å; I176-R178 PolarHBondContact O-N 3.24Å; R178-D274 IonicContact NH2-OD2 3.31Å; R178-T328 HydrophobicContact CG-CG2 4.43Å; R178-T328 VanDerWaalsContact CZ-OG1 3.24Å; R178-T328 PolarHBondContact NH2-OG1 3.41Å
179T97.8Very high96Very high8 Ų847.1 Ų47.15%0.04925%0.248CC..  trans-64.8144.2173.459.50000112.8K51 Y69 V72 V73 N76 D175 I176K51-T179 PolarHBondContact NZ-O 3.49Å; K51-T179 PolarHBondContact NZ-OG1 3.44Å; Y69-T179 HydrophobicContact CD1-CG2 4.35Å; V72-T179 HydrophobicContact CB-CG2 4.31Å; V72-T179 HydrophobicContact CG1-CG2 3.99Å; V73-T179 HydrophobicContact CG2-CG2 3.59Å; N76-T179 WeakPolarHBondContact OD1-CA 3.42Å; D175-T179 WeakPolarHBondContact O-CG2 2.97Å; D175-T179 PolarHBondContact O-N 3.4Å; I176-T179 PolarHBondContact O-N 2.78Å; I176-T179 PolarHBondContact O-OG1 3.01Å
180R95.8Very high95.9Very high49 Ų4951.6 Ų51.619%0.18527%0.269CS..  trans-115113.9177.8176.161.1179.6126.1-4110.3E43 N76 K182E43-R180 IonicContact OE1-CZ 2.85Å; E43-R180 IonicContact OE1-NE 3.76Å; E43-R180 PolarHBondContact OE1-NE 2.9Å; E43-R180 IonicContact OE1-NH2 3.62Å; E43-R180 PolarHBondContact OE1-NH2 2.8Å; N76-R180 PolarHBondContact ND2-O 3.46Å; N76-R180 VanDerWaalsContact ND2-O 3.15Å; N76-R180 PolarHBondContact OD1-N 2.98Å; N76-R180 PolarHBondContact OD1-O 3Å; R180-K182 VanDerWaalsContact NH1-CA 3.32Å
181V95.1Very high95.9Very high86 Ų8648.6 Ų48.652%0.52125%0.254SS..  trans-123.8133166.9-177.80000107.9V72 T183V72-V181 HydrophobicContact CG1-CG2 3.64Å; V72-V181 HydrophobicContact CG2-CG2 4.44Å; V181-T183 PolarHBondContact O-N 3.29Å; V181-T183 VanDerWaalsContact O-N 3.1Å
182K94.3Very high95.6Very high122 Ų12255.3 Ų55.353%0.5329%0.285SS..  trans-65.9108.4174.3-69-177.7-178178.70109R180 T184R180-K182 VanDerWaalsContact NH1-CA 3.32Å; K182-T184 PolarHBondContact O-N 2.88Å
183T94Very high95.5Very high22 Ų2254 Ų5414%0.13527%0.274CS..  trans-63124.3175.1-43.80000109.7S47 V181 V187 G204S47-T183 PolarHBondContact OG-OG1 3.38Å; V181-T183 PolarHBondContact O-N 3.29Å; V181-T183 VanDerWaalsContact O-N 3.1Å; T183-V187 HydrophobicContact CG2-CG2 4.41Å; T183-G204 WeakPolarHBondContact O-CA 3.31Å
184T93.3Very high95.2Very high104 Ų10454 Ų5464%0.63827%0.273SS*.  trans-118.4140.5174.961.10000109K182 E209K182-T184 PolarHBondContact O-N 2.88Å; T184-E209 WeakPolarHBondContact CA-OE2 3.3Å
185G93.3Very high94.8Very high21 Ų2158.2 Ų58.222%0.21630%0.297CS..SBendtrans70.5-143.8-177.300000113.3G204 E209G185-G204 PolarHBondContact O-N 2.66Å; G185-E209 PolarHBondContact N-OE2 2.8Å
186I94.5Very high94.5Very high70 Ų7058.7 Ų58.736%0.35930%0.299SS..EExtended strand (participates in β ladder)trans-127128.2-173.8-60.4158.1000107.2F201 D202 V203 H215 C216I186-F201 HydrophobicContact CG2-CD1 3.9Å; I186-D202 WeakPolarHBondContact CA-O 3.18Å; I186-V203 HydrophobicContact CB-CG1 4.42Å; I186-V203 HydrophobicContact CG1-CG1 3.92Å; I186-V203 HydrophobicContact CG2-CG1 4.26Å; I186-H215 HydrophobicContact CD1-CB 3.95Å; I186-C216 VanDerWaalsContact CD1-SG 3.55Å; I186-C216 VanDerWaalsContact CG2-SG 3.57Å
187V94.6Very high94.4Very high65 Ų6560.9 Ų60.939%0.39431%0.311SS..EExtended strand (participates in β ladder)trans-112.9127.6174.9179.20000107.8T183 V189 F201 D202T183-V187 HydrophobicContact CG2-CG2 4.41Å; V187-V189 HydrophobicContact CG1-CG2 4.36Å; V187-F201 WeakPolarHBondContact O-CA 3.48Å; V187-D202 HydrophobicContact CB-CB 4.48Å; V187-D202 PolarHBondContact N-O 3.1Å; V187-D202 PolarHBondContact O-N 2.78Å
188E95.3Very high94.3Very high86 Ų8660.8 Ų60.840%0.40231%0.311SS..EExtended strand (participates in β ladder)trans-110.6133177.5-176.1174-176.500109.6H190 L200 F201E188-H190 IonicContact OE1-CE1 3.52Å; E188-H190 PolarHBondContact OE1-CE1 3.16Å; E188-H190 IonicContact OE1-NE2 2.86Å; E188-H190 PolarHBondContact OE1-NE2 2.74Å; E188-L200 WeakPolarHBondContact CA-O 3.43Å; E188-F201 HydrophobicContact CB-CD1 4.26Å; E188-F201 HydrophobicContact CB-CE1 4.03Å; E188-F201 HydrophobicContact CG-CD1 4.32Å; E188-F201 HydrophobicContact CG-CE1 3.81Å; E188-F201 HydrophobicContact CG-CE2 4.31Å; E188-F201 HydrophobicContact CG-CZ 3.81Å; E188-F201 VanDerWaalsContact OE1-CZ 3.3Å; E188-F201 WeakPolarHBondContact OE1-CZ 3.43Å; E188-F201 WeakPolarHBondContact OE2-CE1 3.23Å
189V94.4Very high94.3Very high25 Ų2563.4 Ų63.415%0.15232%0.323CS..EExtended strand (participates in β ladder)trans-129.1140175.91780000109.6V50 V187 F191 L200V50-V189 HydrophobicContact CG1-CB 4.2Å; V50-V189 HydrophobicContact CG1-CG2 3.43Å; V50-V189 VanDerWaalsContact CG1-CG2 3.43Å; V187-V189 HydrophobicContact CG1-CG2 4.36Å; V189-F191 HydrophobicContact CG1-CD1 4.36Å; V189-L200 PolarHBondContact N-O 2.84Å; V189-L200 PolarHBondContact O-N 3.49Å
190H95.6Very high94.2Very high103 Ų10363.1 Ų63.148%0.47732%0.321SS..EExtended strand (participates in β ladder)trans-120.7124.1-175.5-62.5-91.5000110.9E188 F198E188-H190 IonicContact OE1-CE1 3.52Å; E188-H190 PolarHBondContact OE1-CE1 3.16Å; E188-H190 IonicContact OE1-NE2 2.86Å; E188-H190 PolarHBondContact OE1-NE2 2.74Å; H190-F198 WeakPolarHBondContact CA-O 3.41Å
191F95.1Very high94.3Very high11 Ų1161.7 Ų61.75%0.04832%0.317CS..EExtended strand (participates in β ladder)trans-145.9160.3176.459-86.5000111.3M53 H57 E58 V189 F193 F198 L200 F337M53-F191 HydrophobicContact CB-CD1 4.02Å; M53-F191 HydrophobicContact CB-CE1 3.81Å; M53-F191 HydrophobicContact CB-CZ 4.2Å; M53-F191 HydrophobicContact CG-CD1 4.39Å; M53-F191 HydrophobicContact CG-CE1 3.68Å; M53-F191 HydrophobicContact CG-CZ 3.74Å; M53-F191 HydrophobicContact SD-CE1 4.1Å; M53-F191 HydrophobicContact SD-CE2 3.89Å; M53-F191 HydrophobicContact SD-CZ 3.51Å; M53-F191 VanDerWaalsContact SD-CZ 3.51Å; H57-F191 HydrophobicContact CB-CB 4.01Å; H57-F191 HydrophobicContact CB-CD2 4.08Å; H57-F191 HydrophobicContact CB-CG 4.3Å; H57-F191 AromaticContact CD2-CD2 3.58Å; H57-F191 AromaticContact CD2-CE2 3.73Å; H57-F191 AromaticContact CG-CD2 3.94Å; E58-F191 HydrophobicContact CG-CB 4.44Å; V189-F191 HydrophobicContact CG1-CD1 4.36Å; F191-F193 HydrophobicContact CD2-CB 4.38Å; F191-F193 HydrophobicContact CE2-CB 4.46Å; F191-F198 HydrophobicContact CD1-CB 4.19Å; F191-F198 HydrophobicContact CD2-CB 3.98Å; F191-F198 HydrophobicContact CD2-CD2 4.2Å; F191-F198 HydrophobicContact CD2-CG 4.34Å; F191-F198 HydrophobicContact CE1-CB 3.84Å; F191-F198 HydrophobicContact CE2-CB 3.6Å; F191-F198 HydrophobicContact CE2-CD1 4.48Å; F191-F198 AromaticContact CE2-CD2 3.77Å; F191-F198 HydrophobicContact CE2-CD2 3.77Å; F191-F198 AromaticContact CE2-CG 3.7Å; F191-F198 HydrophobicContact CE2-CG 3.7Å; F191-F198 HydrophobicContact CG-CB 4.26Å; F191-F198 HydrophobicContact CZ-CB 3.52Å; F191-F198 HydrophobicContact CZ-CD1 4.39Å; F191-F198 HydrophobicContact CZ-CD2 4.42Å; F191-F198 AromaticContact CZ-CG 3.88Å; F191-F198 HydrophobicContact CZ-CG 3.88Å; F191-F198 PolarHBondContact N-O 2.76Å; F191-F198 PolarHBondContact O-N 3.21Å; F191-L200 HydrophobicContact CE1-CB 3.91Å; F191-L200 HydrophobicContact CE1-CD2 4.14Å; F191-F337 AromaticContact CE2-CE1 3.68Å; F191-F337 HydrophobicContact CE2-CE1 3.68Å; F191-F337 AromaticContact CE2-CZ 3.68Å; F191-F337 HydrophobicContact CE2-CZ 3.68Å; F191-F337 HydrophobicContact CZ-CE1 4.04Å; F191-F337 HydrophobicContact CZ-CE2 4.26Å; F191-F337 AromaticContact CZ-CZ 3.54Å; F191-F337 HydrophobicContact CZ-CZ 3.54Å
192Q93.2Very high94.4Very high144 Ų14457.8 Ų57.867%0.67329%0.293SS*.EExtended strand (participates in β ladder)trans-106.5133.7176.2-71.7-174-16.200110.7M196 N197Q192-M196 WeakPolarHBondContact CA-O 3.35Å; Q192-N197 WeakPolarHBondContact CG-OD1 3.32Å; Q192-N197 PolarHBondContact NE2-OD1 3.25Å
193F93.5Very high94.6Very high35 Ų3552 Ų5215%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-150.7135.5176.5-178.3-120.6000110.7H57 F191 N195 M196 F198 F337 D338 T341H57-F193 AromaticContact CE1-CD2 3.18Å; H57-F193 WeakPolarHBondContact CE1-CD2 3.43Å; H57-F193 AromaticContact CE1-CE2 3.59Å; H57-F193 AromaticContact CE1-CG 3.61Å; H57-F193 AromaticContact ND1-CD2 3.71Å; F191-F193 HydrophobicContact CD2-CB 4.38Å; F191-F193 HydrophobicContact CE2-CB 4.46Å; F193-N195 PolarHBondContact O-N 3.46Å; F193-N195 VanDerWaalsContact O-N 3.15Å; F193-M196 PolarHBondContact N-O 3.12Å; F193-M196 WeakPolarHBondContact O-CB 3.33Å; F193-M196 PolarHBondContact O-N 2.85Å; F193-F198 HydrophobicContact CB-CD2 4.06Å; F193-F198 HydrophobicContact CB-CE2 3.83Å; F193-F198 HydrophobicContact CD1-CE2 4.25Å; F193-F337 AromaticContact CD1-CD1 3.9Å; F193-F337 HydrophobicContact CD1-CD1 3.9Å; F193-F337 AromaticContact CD1-CE1 3.82Å; F193-F337 HydrophobicContact CD1-CE1 3.82Å; F193-F337 AromaticContact CE1-CD1 3.99Å; F193-F337 HydrophobicContact CE1-CD1 3.99Å; F193-F337 HydrophobicContact CE1-CE1 4.35Å; F193-D338 HydrophobicContact CZ-CB 4.41Å; F193-D338 VanDerWaalsContact CZ-OD1 3.29Å; F193-D338 WeakPolarHBondContact CZ-OD1 3.38Å; F193-T341 HydrophobicContact CD1-CG2 3.9Å; F193-T341 WeakPolarHBondContact CD1-OG1 3.11Å; F193-T341 HydrophobicContact CE1-CG2 4.02Å; F193-T341 WeakPolarHBondContact CE1-OG1 3.33Å
194K91Very high94.7Very high80 Ų8051 Ų5135%0.34826%0.262SS..THydrogen-bonded Turntrans4742.1-177.2-73.5-179.4159.6172.80114.2M196 D338 T341 D342 I345K194-M196 PolarHBondContact O-N 2.82Å; K194-D338 WeakPolarHBondContact CE-OD1 3.42Å; K194-D338 IonicContact NZ-OD1 3.42Å; K194-D338 PolarHBondContact NZ-OD1 3.4Å; K194-D338 IonicContact NZ-OD2 3.22Å; K194-D338 PolarHBondContact NZ-OD2 3.1Å; K194-T341 HydrophobicContact CB-CG2 4.17Å; K194-T341 HydrophobicContact CD-CG2 3.8Å; K194-T341 HydrophobicContact CG-CG2 4.46Å; K194-D342 VanDerWaalsContact NZ-CG 3.29Å; K194-D342 IonicContact NZ-OD1 3.53Å; K194-D342 PolarHBondContact NZ-OD1 2.84Å; K194-D342 IonicContact NZ-OD2 2.7Å; K194-D342 PolarHBondContact NZ-OD2 3.22Å; K194-I345 HydrophobicContact CB-CD1 4.44Å; K194-I345 HydrophobicContact CD-CD1 4.48Å
195N88.3Confident94.7Very high149 Ų14946.2 Ų46.280%0.79723%0.232SC*.THydrogen-bonded Turntrans6217.2-175.9-58.9-35.2000115.5F193F193-N195 PolarHBondContact O-N 3.46Å; F193-N195 VanDerWaalsContact O-N 3.15Å
196M92.6Very high94.8Very high9 Ų946.4 Ų46.44%0.04423%0.228CC..EExtended strand (participates in β ladder)trans-104.7149.7171.3-52.2-170.487.400110.2K32 V34 Q192 F193 K194 F198 T341 I344 I345K32-M196 CarbonylContact O-C 3.53Å; K32-M196 VanDerWaalsContact O-CA 3.31Å; K32-M196 WeakPolarHBondContact O-CA 3.36Å; K32-M196 WeakPolarHBondContact O-CB 3.49Å; V34-M196 HydrophobicContact CG2-CB 4.38Å; V34-M196 HydrophobicContact CG2-CE 3.16Å; V34-M196 HydrophobicContact CG2-SD 3.99Å; Q192-M196 WeakPolarHBondContact CA-O 3.35Å; F193-M196 PolarHBondContact N-O 3.12Å; F193-M196 WeakPolarHBondContact O-CB 3.33Å; F193-M196 PolarHBondContact O-N 2.85Å; K194-M196 PolarHBondContact O-N 2.82Å; M196-F198 HydrophobicContact CB-CD2 4.2Å; M196-F198 HydrophobicContact CB-CE2 3.67Å; M196-F198 HydrophobicContact CB-CZ 4.24Å; M196-F198 HydrophobicContact CG-CE2 4.49Å; M196-F198 HydrophobicContact SD-CE2 4.4Å; M196-F198 HydrophobicContact SD-CZ 4.11Å; M196-T341 HydrophobicContact SD-CG2 4.06Å; M196-I344 HydrophobicContact CE-CG2 4.15Å; M196-I345 HydrophobicContact CE-CG1 4.09Å; M196-I345 HydrophobicContact CG-CG1 4.45Å; M196-I345 HydrophobicContact SD-CD1 3.91Å; M196-I345 HydrophobicContact SD-CG1 3.38Å; M196-I345 WeakPolarHBondContact SD-CG1 3.09Å
197N94.5Very high94.8Very high46 Ų4647.5 Ų47.525%0.24623%0.227CC..EExtended strand (participates in β ladder)trans-101.6110.6173.2-55.2-53.8000108.6K32 D33 V34 Q192K32-N197 PolarHBondContact O-N 3.34Å; D33-N197 WeakPolarHBondContact OD1-CB 3.5Å; D33-N197 PolarHBondContact OD1-ND2 3.36Å; V34-N197 PolarHBondContact N-O 3.19Å; Q192-N197 WeakPolarHBondContact CG-OD1 3.32Å; Q192-N197 PolarHBondContact NE2-OD1 3.25Å
198F96.6Very high94.8Very high2 Ų248.7 Ų48.71%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-91.7134.8178.8-72.6-90.8000111V34 L36 H190 F191 F193 M196 F337 T341 I344V34-F198 HydrophobicContact CB-CD1 3.74Å; V34-F198 HydrophobicContact CB-CE1 3.85Å; V34-F198 HydrophobicContact CB-CG 4.39Å; V34-F198 HydrophobicContact CG1-CD1 3.73Å; V34-F198 HydrophobicContact CG1-CE1 3.63Å; V34-F198 HydrophobicContact CG2-CD1 4.48Å; V34-F198 HydrophobicContact CG2-CE1 4.19Å; V34-F198 HydrophobicContact CG2-CZ 4.47Å; V34-F198 CarbonylContact O-C 3.49Å; V34-F198 WeakPolarHBondContact O-CA 3.34Å; L36-F198 HydrophobicContact CD1-CD1 3.54Å; L36-F198 HydrophobicContact CD1-CE1 3.81Å; L36-F198 HydrophobicContact CG-CD1 3.93Å; L36-F198 HydrophobicContact CG-CE1 4.29Å; H190-F198 WeakPolarHBondContact CA-O 3.41Å; F191-F198 HydrophobicContact CD1-CB 4.19Å; F191-F198 HydrophobicContact CD2-CB 3.98Å; F191-F198 HydrophobicContact CD2-CD2 4.2Å; F191-F198 HydrophobicContact CD2-CG 4.34Å; F191-F198 HydrophobicContact CE1-CB 3.84Å; F191-F198 HydrophobicContact CE2-CB 3.6Å; F191-F198 HydrophobicContact CE2-CD1 4.48Å; F191-F198 AromaticContact CE2-CD2 3.77Å; F191-F198 HydrophobicContact CE2-CD2 3.77Å; F191-F198 AromaticContact CE2-CG 3.7Å; F191-F198 HydrophobicContact CE2-CG 3.7Å; F191-F198 HydrophobicContact CG-CB 4.26Å; F191-F198 HydrophobicContact CZ-CB 3.52Å; F191-F198 HydrophobicContact CZ-CD1 4.39Å; F191-F198 HydrophobicContact CZ-CD2 4.42Å; F191-F198 AromaticContact CZ-CG 3.88Å; F191-F198 HydrophobicContact CZ-CG 3.88Å; F191-F198 PolarHBondContact N-O 2.76Å; F191-F198 PolarHBondContact O-N 3.21Å; F193-F198 HydrophobicContact CB-CD2 4.06Å; F193-F198 HydrophobicContact CB-CE2 3.83Å; F193-F198 HydrophobicContact CD1-CE2 4.25Å; M196-F198 HydrophobicContact CB-CD2 4.2Å; M196-F198 HydrophobicContact CB-CE2 3.67Å; M196-F198 HydrophobicContact CB-CZ 4.24Å; M196-F198 HydrophobicContact CG-CE2 4.49Å; M196-F198 HydrophobicContact SD-CE2 4.4Å; M196-F198 HydrophobicContact SD-CZ 4.11Å; F198-F337 HydrophobicContact CD1-CZ 4.05Å; F198-F337 HydrophobicContact CE1-CE1 4.34Å; F198-F337 AromaticContact CE1-CZ 3.94Å; F198-F337 HydrophobicContact CE1-CZ 3.94Å; F198-F337 HydrophobicContact CE2-CE1 4.38Å; F198-F337 HydrophobicContact CG-CZ 4.44Å; F198-F337 HydrophobicContact CZ-CE1 4.2Å; F198-F337 HydrophobicContact CZ-CZ 4.26Å; F198-T341 HydrophobicContact CE2-CG2 4.41Å; F198-T341 HydrophobicContact CZ-CG2 3.92Å; F198-I344 HydrophobicContact CE1-CD1 4.33Å
199K96.7Very high94.8Very high95 Ų9545.7 Ų45.741%0.41323%0.225SC..EExtended strand (participates in β ladder)trans-113.1106.3162.9-55.9-171177.4177.80107.9V34 K35 L36 F201V34-K199 PolarHBondContact O-N 3.4Å; K35-K199 WeakPolarHBondContact CA-O 3.23Å; L36-K199 PolarHBondContact N-O 2.94Å; K199-F201 HydrophobicContact CB-CD2 4.45Å; K199-F201 HydrophobicContact CB-CE2 3.71Å; K199-F201 HydrophobicContact CB-CZ 4.48Å
200L97.2Very high94.9Very high1 Ų146.8 Ų46.81%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-100.3120.8-178.5-175.965.6000109.9L36 L38 V50 M53 E188 V189 F191L36-L200 HydrophobicContact CB-CD1 3.51Å; L36-L200 HydrophobicContact CD1-CD1 4.22Å; L36-L200 WeakPolarHBondContact O-CA 3.45Å; L38-L200 HydrophobicContact CD1-CD1 3.73Å; L38-L200 HydrophobicContact CD1-CD2 3.93Å; L38-L200 HydrophobicContact CD1-CG 3.84Å; L38-L200 HydrophobicContact CD2-CD1 4.37Å; L38-L200 HydrophobicContact CG-CD1 3.69Å; L38-L200 HydrophobicContact CG-CG 4.33Å; V50-L200 HydrophobicContact CG2-CD2 4.02Å; V50-L200 HydrophobicContact CG2-CG 4.5Å; M53-L200 HydrophobicContact CG-CD2 3.68Å; E188-L200 WeakPolarHBondContact CA-O 3.43Å; V189-L200 PolarHBondContact N-O 2.84Å; V189-L200 PolarHBondContact O-N 3.49Å; F191-L200 HydrophobicContact CE1-CB 3.91Å; F191-L200 HydrophobicContact CE1-CD2 4.14Å
201F97.7Very high94.8Very high20 Ų2050.7 Ų50.79%0.08824%0.242CC..EExtended strand (participates in β ladder)trans-105114.8179.5-69.3-95.7000109.9K35 L36 L37 L38 I186 V187 E188 K199K35-F201 HydrophobicContact CD-CD2 4.38Å; K35-F201 HydrophobicContact CD-CE2 3.99Å; K35-F201 HydrophobicContact CG-CD2 3.87Å; K35-F201 HydrophobicContact CG-CE2 3.73Å; L36-F201 PolarHBondContact O-N 3.3Å; L37-F201 HydrophobicContact CD1-CB 3.7Å; L38-F201 WeakPolarHBondContact CB-O 3.33Å; L38-F201 PolarHBondContact N-O 3.07Å; I186-F201 HydrophobicContact CG2-CD1 3.9Å; V187-F201 WeakPolarHBondContact O-CA 3.48Å; E188-F201 HydrophobicContact CB-CD1 4.26Å; E188-F201 HydrophobicContact CB-CE1 4.03Å; E188-F201 HydrophobicContact CG-CD1 4.32Å; E188-F201 HydrophobicContact CG-CE1 3.81Å; E188-F201 HydrophobicContact CG-CE2 4.31Å; E188-F201 HydrophobicContact CG-CZ 3.81Å; E188-F201 VanDerWaalsContact OE1-CZ 3.3Å; E188-F201 WeakPolarHBondContact OE1-CZ 3.43Å; E188-F201 WeakPolarHBondContact OE2-CE1 3.23Å; K199-F201 HydrophobicContact CB-CD2 4.45Å; K199-F201 HydrophobicContact CB-CE2 3.71Å; K199-F201 HydrophobicContact CB-CZ 4.48Å
202D97.5Very high94.8Very high4 Ų453.8 Ų53.82%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-101.6134.7169.5179.934000110.5L38 K46 S47 V50 I186 V187L38-D202 HydrophobicContact CD1-CB 4.15Å; K46-D202 WeakPolarHBondContact CB-OD1 3.42Å; S47-D202 VanDerWaalsContact CA-OD2 3.3Å; S47-D202 WeakPolarHBondContact CA-OD2 3.39Å; S47-D202 VanDerWaalsContact CB-OD2 3.28Å; S47-D202 WeakPolarHBondContact CB-OD2 3.42Å; S47-D202 PolarHBondContact OG-OD2 3.47Å; V50-D202 HydrophobicContact CG2-CB 3.51Å; I186-D202 WeakPolarHBondContact CA-O 3.18Å; V187-D202 HydrophobicContact CB-CB 4.48Å; V187-D202 PolarHBondContact N-O 3.1Å; V187-D202 PolarHBondContact O-N 2.78Å
203V97.1Very high94.9Very high1 Ų147.4 Ų47.41%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-130.8148.4-174.8-61.40000110.5L37 L38 L39 K46 I186 G205 W213L37-V203 HydrophobicContact CD1-CG1 4.35Å; L38-V203 WeakPolarHBondContact O-CG2 3.49Å; L39-V203 HydrophobicContact CD2-CG2 3.69Å; K46-V203 WeakPolarHBondContact CE-O 3.27Å; I186-V203 HydrophobicContact CB-CG1 4.42Å; I186-V203 HydrophobicContact CG1-CG1 3.92Å; I186-V203 HydrophobicContact CG2-CG1 4.26Å; V203-G205 PolarHBondContact O-N 3.02Å; V203-W213 VanDerWaalsContact CG2-CD1 3.45Å; V203-W213 HydrophobicContact CG2-CD2 4.26Å; V203-W213 HydrophobicContact CG2-CG 4.07Å; V203-W213 HydrophobicContact CG2-CZ2 4.44Å; V203-W213 VanDerWaalsContact CG2-NE1 3.27Å
204G96.1Very high94.9Very high1 Ų150 Ų501%0.0124%0.24CC..  trans-54.7127.6175.100000112.1T183 G185 E209 W213T183-G204 WeakPolarHBondContact O-CA 3.31Å; G185-G204 PolarHBondContact O-N 2.66Å; G204-E209 WeakPolarHBondContact O-CB 3.48Å; G204-W213 PolarHBondContact O-NE1 3.06Å
205G94.6Very high95Very high2 Ų253.1 Ų53.12%0.02126%0.255CS..  trans-87.8-19.8-175.700000115G40 G42 V203 R210G40-G205 WeakPolarHBondContact O-CA 3.36Å; G42-G205 VanDerWaalsContact N-C 3.34Å; G42-G205 PolarHBondContact N-O 3Å; V203-G205 PolarHBondContact O-N 3.02Å; G205-R210 PolarHBondContact O-NE 2.95Å; G205-R210 VanDerWaalsContact O-NE 3.07Å
206Q95Very high95.3Very high25 Ų2546.2 Ų46.212%0.11722%0.218CC..SBendtrans-65.1151.5-178.9-62.786-16.400110.6S208 E209 R210 E238Q206-S208 PolarHBondContact O-N 3.18Å; Q206-S208 VanDerWaalsContact O-N 3.12Å; Q206-E209 PolarHBondContact O-N 3.16Å; Q206-R210 WeakPolarHBondContact O-CG 3.38Å; Q206-R210 PolarHBondContact O-N 3.12Å; Q206-E238 WeakPolarHBondContact CA-OE1 3.15Å
207R94.8Very high95.4Very high93 Ų9346.5 Ų46.535%0.35122%0.219SC..THydrogen-bonded Turntrans-54.4-36.6-175.1-74.1-177.3171.11671.8113.8E209 L236 E238 D239 E247R207-E209 VanDerWaalsContact C-N 3.27Å; R207-E209 PolarHBondContact O-N 3.48Å; R207-L236 VanDerWaalsContact NH2-CD1 3.26Å; R207-E238 PolarHBondContact N-OE1 3.08Å; R207-D239 IonicContact CZ-OD2 2.74Å; R207-D239 IonicContact NH1-OD2 3.76Å; R207-D239 PolarHBondContact NH1-OD2 2.87Å; R207-D239 IonicContact NH2-OD2 3.54Å; R207-D239 PolarHBondContact NH2-OD2 3.1Å; R207-E247 IonicContact CZ-OE1 2.78Å; R207-E247 IonicContact CZ-OE2 2.9Å; R207-E247 IonicContact NE-OE1 2.92Å; R207-E247 PolarHBondContact NE-OE1 2.89Å; R207-E247 IonicContact NE-OE2 3.18Å; R207-E247 IonicContact NH2-OE1 3.82Å; R207-E247 IonicContact NH2-OE2 3.79Å; R207-E247 PolarHBondContact NH2-OE2 3.5Å
208S94.4Very high95.3Very high90 Ų9050.5 Ų50.563%0.62924%0.236SC*.THydrogen-bonded Turntrans-63.6-28177.349.80000113.9Q206Q206-S208 PolarHBondContact O-N 3.18Å; Q206-S208 VanDerWaalsContact O-N 3.12Å
209E96Very high95.1Very high23 Ų2357.3 Ų57.311%0.10727%0.273CS..THydrogen-bonded Turntrans-91.4-20.7-174.5-63.3-60100.800112.9T184 G185 G204 Q206 R207 K211 K212T184-E209 WeakPolarHBondContact CA-OE2 3.3Å; G185-E209 PolarHBondContact N-OE2 2.8Å; G204-E209 WeakPolarHBondContact O-CB 3.48Å; Q206-E209 PolarHBondContact O-N 3.16Å; R207-E209 VanDerWaalsContact C-N 3.27Å; R207-E209 PolarHBondContact O-N 3.48Å; E209-K211 VanDerWaalsContact C-N 3.25Å; E209-K211 PolarHBondContact O-N 3.15Å; E209-K211 VanDerWaalsContact O-N 3.13Å; E209-K212 VanDerWaalsContact O-CB 3.31Å; E209-K212 WeakPolarHBondContact O-CB 3.42Å; E209-K212 PolarHBondContact O-N 3.31Å; E209-K212 IonicContact OE1-NZ 3.34Å; E209-K212 PolarHBondContact OE1-NZ 2.66Å; E209-K212 IonicContact OE2-NZ 3.43Å; E209-K212 PolarHBondContact OE2-NZ 3.03Å
210R95.2Very high95Very high48 Ų4853.4 Ų53.418%0.18126%0.257CS..G310 helixtrans-63.2-25.9-171.2-54.6-167-169.5153.84.9114.9G205 Q206 K212 W213 E247G205-R210 PolarHBondContact O-NE 2.95Å; G205-R210 VanDerWaalsContact O-NE 3.07Å; Q206-R210 WeakPolarHBondContact O-CG 3.38Å; Q206-R210 PolarHBondContact O-N 3.12Å; R210-K212 PolarHBondContact O-N 3.18Å; R210-W213 HydrophobicContact CB-CD2 4.14Å; R210-W213 HydrophobicContact CB-CE3 4.47Å; R210-W213 HydrophobicContact CB-CZ2 4.26Å; R210-W213 HydrophobicContact CG-CD2 4.45Å; R210-W213 HydrophobicContact CG-CH2 4.04Å; R210-W213 HydrophobicContact CG-CZ2 3.66Å; R210-W213 WeakPolarHBondContact O-CB 3.33Å; R210-W213 VanDerWaalsContact O-CG 3.25Å; R210-W213 PolarHBondContact O-N 3.28Å; R210-E247 IonicContact CZ-OE1 2.73Å; R210-E247 VanDerWaalsContact CZ-OE1 3.22Å; R210-E247 IonicContact NH1-OE1 3.7Å; R210-E247 PolarHBondContact NH1-OE1 3.37Å; R210-E247 IonicContact NH2-OE1 2.71Å; R210-E247 PolarHBondContact NH2-OE1 2.9Å
211K93.9Very high94.8Very high186 Ų18655.1 Ų55.181%0.80927%0.268SS*.G310 helixtrans-61.8-26.6174.9-69.8-178.9-179.9177.60112.3E209 W213 I214E209-K211 VanDerWaalsContact C-N 3.25Å; E209-K211 PolarHBondContact O-N 3.15Å; E209-K211 VanDerWaalsContact O-N 3.13Å; K211-W213 VanDerWaalsContact C-N 3.29Å; K211-W213 PolarHBondContact O-N 3Å; K211-I214 WeakPolarHBondContact O-CG2 3.48Å
212K95.3Very high94.7Very high76 Ų7654.2 Ų54.233%0.3326%0.264SS..G310 helixtrans-77-16.1-179.2-56.7174.1-175.1167.80112.5E209 R210 I214 H215E209-K212 VanDerWaalsContact O-CB 3.31Å; E209-K212 WeakPolarHBondContact O-CB 3.42Å; E209-K212 PolarHBondContact O-N 3.31Å; E209-K212 IonicContact OE1-NZ 3.34Å; E209-K212 PolarHBondContact OE1-NZ 2.66Å; E209-K212 IonicContact OE2-NZ 3.43Å; E209-K212 PolarHBondContact OE2-NZ 3.03Å; R210-K212 PolarHBondContact O-N 3.18Å; K212-I214 PolarHBondContact O-N 3.45Å; K212-H215 WeakPolarHBondContact O-CB 3.36Å; K212-H215 PolarHBondContact O-CD2 2.99Å; K212-H215 PolarHBondContact O-N 3.22Å; K212-H215 VanDerWaalsContact O-N 3.17Å
213W95.9Very high94.7Very high9 Ų954 Ų543%0.03426%0.263CS..G310 helixtrans-61.6-33.2-174.8-65.61000113.3L39 V203 G204 R210 K211 H215 C216 F217 L251 I255L39-W213 HydrophobicContact CD2-CD2 3.79Å; L39-W213 HydrophobicContact CD2-CE3 3.73Å; L39-W213 HydrophobicContact CD2-CG 4.25Å; L39-W213 HydrophobicContact CD2-CH2 4.4Å; L39-W213 HydrophobicContact CD2-CZ2 4.47Å; L39-W213 HydrophobicContact CD2-CZ3 4.04Å; V203-W213 VanDerWaalsContact CG2-CD1 3.45Å; V203-W213 HydrophobicContact CG2-CD2 4.26Å; V203-W213 HydrophobicContact CG2-CG 4.07Å; V203-W213 HydrophobicContact CG2-CZ2 4.44Å; V203-W213 VanDerWaalsContact CG2-NE1 3.27Å; G204-W213 PolarHBondContact O-NE1 3.06Å; R210-W213 HydrophobicContact CB-CD2 4.14Å; R210-W213 HydrophobicContact CB-CE3 4.47Å; R210-W213 HydrophobicContact CB-CZ2 4.26Å; R210-W213 HydrophobicContact CG-CD2 4.45Å; R210-W213 HydrophobicContact CG-CH2 4.04Å; R210-W213 HydrophobicContact CG-CZ2 3.66Å; R210-W213 WeakPolarHBondContact O-CB 3.33Å; R210-W213 VanDerWaalsContact O-CG 3.25Å; R210-W213 PolarHBondContact O-N 3.28Å; K211-W213 VanDerWaalsContact C-N 3.29Å; K211-W213 PolarHBondContact O-N 3Å; W213-H215 PolarHBondContact O-N 3.28Å; W213-C216 PolarHBondContact O-N 3.02Å; W213-F217 HydrophobicContact CB-CE1 3.72Å; W213-F217 HydrophobicContact CB-CZ 4.04Å; W213-F217 WeakPolarHBondContact O-CD1 3.28Å; W213-F217 WeakPolarHBondContact O-CE1 3.47Å; W213-L251 HydrophobicContact CH2-CD1 3.76Å; W213-L251 HydrophobicContact CH2-CD2 3.78Å; W213-L251 HydrophobicContact CH2-CG 4.19Å; W213-L251 HydrophobicContact CZ3-CD1 3.64Å; W213-L251 HydrophobicContact CZ3-CD2 4.41Å; W213-L251 HydrophobicContact CZ3-CG 4.33Å; W213-I255 HydrophobicContact CE3-CD1 4.1Å; W213-I255 HydrophobicContact CZ3-CD1 3.97Å; W213-I255 HydrophobicContact CZ3-CG1 4.28Å
214I92.9Very high94.7Very high91 Ų9154 Ų5447%0.46726%0.263SS..G310 helixtrans-55.5-27.5179.2-166.2167.8000112.6K211 K212 C216 F217K211-I214 WeakPolarHBondContact O-CG2 3.48Å; K212-I214 PolarHBondContact O-N 3.45Å; I214-C216 PolarHBondContact O-N 3.48Å; I214-C216 VanDerWaalsContact O-N 3.17Å; I214-F217 PolarHBondContact O-N 3.1Å
215H93.3Very high94.8Very high145 Ų14554 Ų5467%0.67126%0.262SS*.G310 helixtrans-68.6-9.8177.3-58.4-57.3000113.8I186 K212 W213I186-H215 HydrophobicContact CD1-CB 3.95Å; K212-H215 WeakPolarHBondContact O-CB 3.36Å; K212-H215 PolarHBondContact O-CD2 2.99Å; K212-H215 PolarHBondContact O-N 3.22Å; K212-H215 VanDerWaalsContact O-N 3.17Å; W213-H215 PolarHBondContact O-N 3.28Å
216C95.2Very high95Very high3 Ų353.9 Ų53.92%0.0226%0.261CS..G310 helixtrans-1100.6178.4-57.80000113.6K35 L37 I186 W213 I214 V220K35-C216 VanDerWaalsContact CE-O 3.29Å; K35-C216 WeakPolarHBondContact CE-O 3.46Å; K35-C216 PolarHBondContact NZ-O 3.28Å; L37-C216 HydrophobicContact CD1-CB 3.63Å; L37-C216 HydrophobicContact CD2-CB 4.3Å; I186-C216 VanDerWaalsContact CD1-SG 3.55Å; I186-C216 VanDerWaalsContact CG2-SG 3.57Å; W213-C216 PolarHBondContact O-N 3.02Å; I214-C216 PolarHBondContact O-N 3.48Å; I214-C216 VanDerWaalsContact O-N 3.17Å; C216-V220 WeakPolarHBondContact O-CG2 3.17Å
217F94.4Very high95.2Very high15 Ų1552.7 Ų52.77%0.06626%0.256CS..  trans-80.7-18.5-166.8-77.314.3000114.8L37 W213 I214 I255 W260 F261L37-F217 HydrophobicContact CD2-CD1 3.78Å; L37-F217 HydrophobicContact CD2-CE1 3.88Å; W213-F217 HydrophobicContact CB-CE1 3.72Å; W213-F217 HydrophobicContact CB-CZ 4.04Å; W213-F217 WeakPolarHBondContact O-CD1 3.28Å; W213-F217 WeakPolarHBondContact O-CE1 3.47Å; I214-F217 PolarHBondContact O-N 3.1Å; F217-I255 HydrophobicContact CZ-CD1 4.32Å; F217-W260 HydrophobicContact CB-CB 4.37Å; F217-W260 HydrophobicContact CB-CD2 4.16Å; F217-W260 HydrophobicContact CB-CE3 4.13Å; F217-W260 HydrophobicContact CB-CG 4.28Å; F217-W260 HydrophobicContact CD2-CB 3.83Å; F217-W260 AromaticContact CD2-CD1 3.92Å; F217-W260 HydrophobicContact CD2-CD2 4.38Å; F217-W260 AromaticContact CD2-CG 3.77Å; F217-W260 HydrophobicContact CD2-CG 3.77Å; F217-W260 HydrophobicContact CG-CB 4.49Å; F217-F261 HydrophobicContact CB-CE1 4.18Å; F217-F261 HydrophobicContact CB-CZ 4.24Å; F217-F261 HydrophobicContact CD1-CE1 4.06Å; F217-F261 HydrophobicContact CD1-CE2 4.26Å; F217-F261 AromaticContact CD1-CZ 3.36Å; F217-F261 HydrophobicContact CD1-CZ 3.36Å; F217-F261 HydrophobicContact CD2-CE1 4.25Å; F217-F261 HydrophobicContact CD2-CE2 4.03Å; F217-F261 AromaticContact CD2-CZ 3.64Å; F217-F261 HydrophobicContact CD2-CZ 3.64Å; F217-F261 HydrophobicContact CE1-CE1 4.49Å; F217-F261 AromaticContact CE1-CE2 3.91Å; F217-F261 HydrophobicContact CE1-CE2 3.91Å; F217-F261 AromaticContact CE1-CZ 3.4Å; F217-F261 HydrophobicContact CE1-CZ 3.4Å; F217-F261 VanDerWaalsContact CE1-CZ 3.4Å; F217-F261 AromaticContact CE2-CE2 3.67Å; F217-F261 HydrophobicContact CE2-CE2 3.67Å; F217-F261 AromaticContact CE2-CZ 3.69Å; F217-F261 HydrophobicContact CE2-CZ 3.69Å; F217-F261 AromaticContact CG-CE1 3.92Å; F217-F261 HydrophobicContact CG-CE1 3.92Å; F217-F261 HydrophobicContact CG-CE2 4.31Å; F217-F261 AromaticContact CG-CZ 3.47Å; F217-F261 HydrophobicContact CG-CZ 3.47Å; F217-F261 VanDerWaalsContact CG-CZ 3.47Å; F217-F261 AromaticContact CZ-CE2 3.6Å; F217-F261 HydrophobicContact CZ-CE2 3.6Å; F217-F261 AromaticContact CZ-CZ 3.57Å; F217-F261 HydrophobicContact CZ-CZ 3.57Å
218E92.2Very high95.4Very high130 Ų13048.4 Ų48.461%0.60724%0.241SC*.THydrogen-bonded Turntrans-66.6141.1175.3-69.3179176.300111.2K35 V220 W260K35-E218 WeakPolarHBondContact CD-O 3.33Å; K35-E218 WeakPolarHBondContact CE-O 3.39Å; K35-E218 PolarHBondContact NZ-O 3.21Å; E218-V220 PolarHBondContact O-N 3.45Å; E218-V220 VanDerWaalsContact O-N 3.08Å; E218-W260 HydrophobicContact CG-CZ3 4.12Å
219D91.1Very high95.6Very high145 Ų14544.1 Ų44.178%0.77521%0.211SC*.THydrogen-bonded Turntrans51.833.4171-53-35.6000115.5K35 T221K35-D219 WeakPolarHBondContact CB-O 3.45Å; K35-D219 WeakPolarHBondContact CD-O 3.41Å; D219-T221 PolarHBondContact O-N 3.35Å
220V95Very high95.7Very high13 Ų1343 Ų438%0.07921%0.205CC..  trans-75.5119.5176.4178.50000110K35 L37 C216 E218 A222 I223 F261 T264K35-V220 HydrophobicContact CD-CG2 4.25Å; L37-V220 HydrophobicContact CB-CG1 3.93Å; L37-V220 HydrophobicContact CB-CG2 4.26Å; L37-V220 HydrophobicContact CD2-CG2 4.12Å; C216-V220 WeakPolarHBondContact O-CG2 3.17Å; E218-V220 PolarHBondContact O-N 3.45Å; E218-V220 VanDerWaalsContact O-N 3.08Å; V220-A222 WeakPolarHBondContact CG1-O 3.31Å; V220-I223 HydrophobicContact CG1-CG1 3.99Å; V220-F261 HydrophobicContact CB-CE1 4.41Å; V220-F261 HydrophobicContact CG2-CE1 4.26Å; V220-T264 HydrophobicContact CB-CG2 4.35Å; V220-T264 HydrophobicContact CG1-CG2 3.86Å
221T93.5Very high95.7Very high38 Ų3841 Ų4123%0.23320%0.198CC..SBendtrans-72-48.4176-45.90000111.2V34 K35 D219 I344V34-T221 HydrophobicContact CG1-CG2 4Å; K35-T221 PolarHBondContact N-OG1 3.44Å; K35-T221 WeakPolarHBondContact O-CB 3.33Å; K35-T221 PolarHBondContact O-N 2.86Å; D219-T221 PolarHBondContact O-N 3.35Å; T221-I344 HydrophobicContact CG2-CG2 4.03Å
222A95.4Very high95.9Very high1 Ų132.2 Ų32.21%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-149.7149.8176.800000111.9K35 L36 L37 V220 S265 I267 I344K35-A222 PolarHBondContact O-N 3.39Å; L36-A222 WeakPolarHBondContact CA-O 3.38Å; L36-A222 HydrophobicContact CD2-CB 3.83Å; L37-A222 PolarHBondContact N-O 3.06Å; L37-A222 VanDerWaalsContact N-O 3.13Å; V220-A222 WeakPolarHBondContact CG1-O 3.31Å; A222-S265 WeakPolarHBondContact CA-O 3.46Å; A222-I267 HydrophobicContact CB-CD1 4.08Å; A222-I344 HydrophobicContact CB-CD1 4.36Å; A222-I344 HydrophobicContact CB-CG1 4.37Å
223I97.1Very high96Very high0 Ų029.1 Ų29.10%015%0.147CC..EExtended strand (participates in β ladder)trans-101130.7172.5-64.5169.6000108.4L37 L39 V220 F225 I255 F261 T264 S265 I266 I267L37-I223 WeakPolarHBondContact O-CA 3.39Å; L39-I223 HydrophobicContact CB-CG2 4.26Å; L39-I223 HydrophobicContact CD1-CD1 4.32Å; L39-I223 HydrophobicContact CD1-CG2 3.92Å; L39-I223 HydrophobicContact CG-CG2 4.18Å; V220-I223 HydrophobicContact CG1-CG1 3.99Å; I223-F225 HydrophobicContact CG2-CB 4.4Å; I223-I255 HydrophobicContact CD1-CG2 3.96Å; I223-I255 HydrophobicContact CG2-CG2 4.44Å; I223-F261 HydrophobicContact CD1-CB 4.05Å; I223-F261 HydrophobicContact CD1-CD1 3.62Å; I223-F261 HydrophobicContact CD1-CD2 3.44Å; I223-F261 VanDerWaalsContact CD1-CD2 3.44Å; I223-F261 HydrophobicContact CD1-CE1 3.76Å; I223-F261 HydrophobicContact CD1-CE2 3.58Å; I223-F261 HydrophobicContact CD1-CG 3.44Å; I223-F261 VanDerWaalsContact CD1-CG 3.44Å; I223-F261 HydrophobicContact CD1-CZ 3.7Å; I223-F261 HydrophobicContact CG1-CD1 4.5Å; I223-F261 HydrophobicContact CG1-CE1 4.42Å; I223-T264 HydrophobicContact CD1-CG2 4.2Å; I223-T264 HydrophobicContact CG1-CG2 3.95Å; I223-S265 PolarHBondContact N-O 2.73Å; I223-I266 HydrophobicContact CB-CG1 4.46Å; I223-I267 PolarHBondContact O-N 2.93Å
224I97.9Very high96.1Very high0 Ų029.2 Ų29.20%015%0.148CC..EExtended strand (participates in β ladder)trans-100.7108.7163.9-63.3171.1000106.9L36 L37 L38 L39 I267 F269L36-I224 HydrophobicContact CD1-CD1 4.08Å; L37-I224 PolarHBondContact O-N 3.17Å; L38-I224 WeakPolarHBondContact CA-O 3.42Å; L38-I224 HydrophobicContact CD2-CB 3.69Å; L38-I224 HydrophobicContact CD2-CD1 4.29Å; L38-I224 HydrophobicContact CD2-CG2 3.63Å; L39-I224 PolarHBondContact N-O 3.22Å; I224-I267 CarbonylContact C-O 3.59Å; I224-I267 WeakPolarHBondContact CA-O 3.34Å; I224-I267 HydrophobicContact CG1-CB 4.26Å; I224-I267 HydrophobicContact CG1-CD1 3.99Å; I224-F269 HydrophobicContact CD1-CZ 4.42Å; I224-F269 HydrophobicContact CG2-CB 4.44Å; I224-F269 HydrophobicContact CG2-CD1 4.06Å; I224-F269 HydrophobicContact CG2-CD2 3.61Å; I224-F269 HydrophobicContact CG2-CE1 4.17Å; I224-F269 HydrophobicContact CG2-CE2 3.73Å; I224-F269 HydrophobicContact CG2-CG 3.77Å; I224-F269 HydrophobicContact CG2-CZ 4Å
225F98.5Very high96.3Very high0 Ų027.3 Ų27.30%014%0.14CC..EExtended strand (participates in β ladder)trans-96.4112.2177.1-165.5-84.5000110.1L39 I223 V227 L251 F252 I255 I267 L268 F269 F309L39-F225 HydrophobicContact CB-CD2 3.86Å; L39-F225 HydrophobicContact CB-CE2 4.32Å; L39-F225 CarbonylContact O-C 3.39Å; L39-F225 WeakPolarHBondContact O-CA 3.16Å; I223-F225 HydrophobicContact CG2-CB 4.4Å; F225-V227 HydrophobicContact CD1-CG2 3.8Å; F225-V227 HydrophobicContact CE1-CG2 3.85Å; F225-L251 HydrophobicContact CE2-CD2 4.23Å; F225-L251 HydrophobicContact CE2-CG 3.99Å; F225-L251 HydrophobicContact CZ-CB 4.19Å; F225-L251 HydrophobicContact CZ-CD2 3.94Å; F225-L251 HydrophobicContact CZ-CG 3.86Å; F225-F252 HydrophobicContact CB-CD2 4.06Å; F225-F252 HydrophobicContact CB-CE2 4.05Å; F225-F252 HydrophobicContact CD1-CB 4.36Å; F225-F252 AromaticContact CD1-CD2 3.51Å; F225-F252 HydrophobicContact CD1-CD2 3.51Å; F225-F252 HydrophobicContact CD1-CE2 4.22Å; F225-F252 HydrophobicContact CD1-CG 4.33Å; F225-F252 AromaticContact CD2-CD2 3.85Å; F225-F252 HydrophobicContact CD2-CD2 3.85Å; F225-F252 HydrophobicContact CE1-CB 3.77Å; F225-F252 AromaticContact CE1-CD2 3.81Å; F225-F252 HydrophobicContact CE1-CD2 3.81Å; F225-F252 HydrophobicContact CE1-CG 4.23Å; F225-F252 HydrophobicContact CE2-CB 4.29Å; F225-F252 HydrophobicContact CE2-CD2 4.13Å; F225-F252 AromaticContact CG-CD2 3.53Å; F225-F252 HydrophobicContact CG-CD2 3.53Å; F225-F252 HydrophobicContact CG-CE2 4.04Å; F225-F252 HydrophobicContact CZ-CB 3.72Å; F225-F252 HydrophobicContact CZ-CD2 4.1Å; F225-F252 HydrophobicContact CZ-CG 4.44Å; F225-I255 HydrophobicContact CD2-CB 4.48Å; F225-I255 HydrophobicContact CD2-CG2 4.37Å; F225-I255 HydrophobicContact CE2-CB 4.37Å; F225-I255 HydrophobicContact CE2-CG1 4.1Å; F225-I267 PolarHBondContact N-O 3.07Å; F225-L268 HydrophobicContact CD1-CD1 4.1Å; F225-F269 PolarHBondContact O-N 3.43Å; F225-F309 HydrophobicContact CE1-CE1 4.3Å
226C98.6Very high96.4Very high0 Ų020.8 Ų20.80%011%0.11CC..EExtended strand (participates in β ladder)trans-92126.2-178.7-57.20000111.6L39 S44 K46 I49L39-C226 PolarHBondContact O-N 3.46Å; S44-C226 WeakPolarHBondContact CB-O 3.48Å; S44-C226 WeakPolarHBondContact OG-CB 3.38Å; S44-C226 PolarHBondContact OG-O 2.98Å; S44-C226 VanDerWaalsContact OG-O 3.13Å; K46-C226 HydrophobicContact CG-CB 3.99Å; I49-C226 WeakPolarHBondContact CD1-SG 3.35Å
227V98.8Very high96.1Very high0 Ų025.3 Ų25.30%013%0.131CC..EExtended strand (participates in β ladder)trans-115.5126.8174.6179.20000108.4F225 M229 M245 L268 F269 L270 N271 F309F225-V227 HydrophobicContact CD1-CG2 3.8Å; F225-V227 HydrophobicContact CE1-CG2 3.85Å; V227-M229 PolarHBondContact O-N 3.09Å; V227-M245 HydrophobicContact CG1-CE 4.02Å; V227-M245 HydrophobicContact CG1-SD 3.79Å; V227-L268 HydrophobicContact CG2-CD1 3.66Å; V227-F269 PolarHBondContact N-O 3.17Å; V227-L270 HydrophobicContact CB-CD2 4.03Å; V227-L270 HydrophobicContact CG1-CD2 4.28Å; V227-L270 HydrophobicContact CG2-CD2 4.28Å; V227-N271 WeakPolarHBondContact O-CA 3.49Å; V227-N271 WeakPolarHBondContact O-CB 3.48Å; V227-N271 PolarHBondContact O-N 2.96Å; V227-F309 HydrophobicContact CB-CE2 4.49Å; V227-F309 HydrophobicContact CB-CZ 4.16Å; V227-F309 HydrophobicContact CG1-CE1 4.32Å; V227-F309 HydrophobicContact CG1-CE2 3.67Å; V227-F309 HydrophobicContact CG1-CZ 3.49Å; V227-F309 VanDerWaalsContact CG1-CZ 3.49Å; V227-F309 HydrophobicContact CG2-CD1 4Å; V227-F309 HydrophobicContact CG2-CE1 3.45Å; V227-F309 VanDerWaalsContact CG2-CE1 3.45Å; V227-F309 HydrophobicContact CG2-CE2 4.07Å; V227-F309 HydrophobicContact CG2-CZ 3.51Å
228A98.3Very high96Very high4 Ų428.4 Ų28.43%0.03315%0.146CC..EExtended strand (participates in β ladder)trans-81.4107.1167.400000109.6S230 E231 M245 K272A228-S230 PolarHBondContact O-N 2.93Å; A228-E231 HydrophobicContact CB-CB 4.16Å; A228-E231 HydrophobicContact CB-CG 3.59Å; A228-E231 VanDerWaalsContact CB-OE1 3.26Å; A228-E231 WeakPolarHBondContact CB-OE1 3.26Å; A228-E231 PolarHBondContact O-N 3.45Å; A228-M245 WeakPolarHBondContact O-CE 3.39Å; A228-K272 HydrophobicContact CB-CD 3.74Å; A228-K272 HydrophobicContact CB-CG 4.38Å
229M98.5Very high95.9Very high0 Ų024.5 Ų24.50%013%0.129CC..G310 helixtrans-60.5-37.2177.9-66.7-175.778.100111.8V227 E231 Y232 L270 N271 K273 F276 A302 I305V227-M229 PolarHBondContact O-N 3.09Å; M229-E231 PolarHBondContact O-N 3.24Å; M229-Y232 WeakPolarHBondContact O-CD1 3.22Å; M229-L270 HydrophobicContact CG-CB 3.84Å; M229-L270 HydrophobicContact SD-CB 3.65Å; M229-N271 WeakPolarHBondContact CB-O 3.29Å; M229-N271 WeakPolarHBondContact CG-O 3.37Å; M229-N271 PolarHBondContact N-O 3.42Å; M229-K273 HydrophobicContact SD-CB 4.24Å; M229-F276 HydrophobicContact CB-CB 3.66Å; M229-F276 HydrophobicContact CB-CD1 4.32Å; M229-F276 HydrophobicContact CB-CD2 4.02Å; M229-F276 HydrophobicContact CB-CG 3.74Å; M229-F276 HydrophobicContact CE-CD1 3.57Å; M229-F276 HydrophobicContact CE-CE1 3.62Å; M229-F276 HydrophobicContact CE-CG 4.16Å; M229-F276 HydrophobicContact CE-CZ 4.24Å; M229-F276 WeakPolarHBondContact O-CD2 3.21Å; M229-F276 HydrophobicContact SD-CD1 4.36Å; M229-A302 HydrophobicContact CE-CB 3.62Å; M229-I305 HydrophobicContact CE-CD1 4.13Å
230S97.7Very high95.7Very high0 Ų024.2 Ų24.20%012%0.123CC..G310 helixtrans-69-8.6-177.160.20000114.8A228 K272 K279A228-S230 PolarHBondContact O-N 2.93Å; S230-K272 VanDerWaalsContact OG-CD 3.31Å; S230-K272 WeakPolarHBondContact OG-CD 3.38Å; S230-K279 VanDerWaalsContact O-CD 3.22Å; S230-K279 WeakPolarHBondContact O-CD 3.28Å; S230-K279 WeakPolarHBondContact O-CE 3.36Å; S230-K279 PolarHBondContact O-NZ 2.78Å
231E97.3Very high95.7Very high6 Ų628.9 Ų28.93%0.02815%0.152CC..G310 helixtrans-92.98.4-173.9-68179-166.300113.5A228 M229 D233 Q234 R244 K272A228-E231 HydrophobicContact CB-CB 4.16Å; A228-E231 HydrophobicContact CB-CG 3.59Å; A228-E231 VanDerWaalsContact CB-OE1 3.26Å; A228-E231 WeakPolarHBondContact CB-OE1 3.26Å; A228-E231 PolarHBondContact O-N 3.45Å; M229-E231 PolarHBondContact O-N 3.24Å; E231-D233 PolarHBondContact O-N 2.96Å; E231-Q234 PolarHBondContact O-N 3.47Å; E231-R244 HydrophobicContact CB-CB 3.85Å; E231-R244 IonicContact OE1-NH1 3.43Å; E231-R244 WeakPolarHBondContact OE2-CD 3.24Å; E231-R244 IonicContact OE2-NH1 2.77Å; E231-K272 IonicContact OE1-NZ 3.18Å; E231-K272 PolarHBondContact OE1-NZ 2.88Å
232Y97.9Very high95.8Very high0 Ų028.4 Ų28.40%015%0.149CC..THydrogen-bonded Turntrans-62.1-23.7-178.872.8-87.2000114.1M229 N243 F276 K279 I280 S283 L285 C288M229-Y232 WeakPolarHBondContact O-CD1 3.22Å; Y232-N243 PolarHBondContact O-ND2 3.37Å; Y232-F276 AromaticContact CD1-CD2 3.78Å; Y232-F276 HydrophobicContact CD1-CD2 3.78Å; Y232-F276 AromaticContact CD1-CE2 3.77Å; Y232-F276 HydrophobicContact CD1-CE2 3.77Å; Y232-F276 AromaticContact CE1-CD2 3.67Å; Y232-F276 HydrophobicContact CE1-CD2 3.67Å; Y232-F276 AromaticContact CE1-CE2 3.73Å; Y232-F276 HydrophobicContact CE1-CE2 3.73Å; Y232-K279 HydrophobicContact CE1-CB 4.45Å; Y232-K279 HydrophobicContact CE1-CD 3.76Å; Y232-K279 HydrophobicContact CE1-CG 4.04Å; Y232-K279 PolarHBondContact OH-O 3.42Å; Y232-I280 WeakPolarHBondContact OH-CA 3.48Å; Y232-I280 PolarHBondContact OH-N 2.98Å; Y232-S283 WeakPolarHBondContact CE2-O 3.17Å; Y232-S283 WeakPolarHBondContact OH-CB 3.37Å; Y232-S283 PolarHBondContact OH-O 3.24Å; Y232-L285 HydrophobicContact CD2-CD1 4Å; Y232-L285 HydrophobicContact CG-CD1 4.06Å; Y232-C288 VanDerWaalsContact O-CB 3.32Å; Y232-C288 WeakPolarHBondContact O-CB 3.39Å
233D97.3Very high95.9Very high12 Ų1229.6 Ų29.66%0.06416%0.155CC..THydrogen-bonded Turntrans-107.819.5-17967.1-10.4000113.2N146 E231 K279 S283 I287N146-D233 HydrophobicContact CB-CB 4.49Å; N146-D233 WeakPolarHBondContact CB-OD2 3.43Å; E231-D233 PolarHBondContact O-N 2.96Å; D233-K279 WeakPolarHBondContact OD1-CD 3.31Å; D233-K279 WeakPolarHBondContact OD1-CE 3.37Å; D233-K279 IonicContact OD1-NZ 2.69Å; D233-K279 PolarHBondContact OD1-NZ 3.5Å; D233-K279 WeakPolarHBondContact OD2-CD 3.38Å; D233-K279 IonicContact OD2-NZ 3.71Å; D233-S283 VanDerWaalsContact CB-OG 3.23Å; D233-S283 WeakPolarHBondContact CB-OG 3.49Å; D233-S283 VanDerWaalsContact OD2-CB 3.24Å; D233-S283 WeakPolarHBondContact OD2-CB 3.39Å; D233-S283 PolarHBondContact OD2-OG 2.95Å; D233-I287 HydrophobicContact CB-CD1 4.05Å; D233-I287 HydrophobicContact CB-CG2 4.41Å
234Q97.2Very high96Very high11 Ų1130.4 Ų30.45%0.05116%0.158CC..  trans-122.8156.2-177.1-74.2173-34.500111.9N146 E231 N243 R244N146-Q234 HydrophobicContact CB-CG 4.41Å; E231-Q234 PolarHBondContact O-N 3.47Å; Q234-N243 CarbonylContact O-C 3.57Å; Q234-N243 WeakPolarHBondContact O-CA 3.34Å; Q234-R244 HydrophobicContact CB-CG 4.14Å; Q234-R244 PolarHBondContact O-N 3.28Å
235V96.7Very high96Very high51 Ų5130.5 Ų30.531%0.30916%0.158SC..BIsolated β-bridgetrans-101.9155.8172.5-63.90000111.7Q149 T242 R244Q149-V235 PolarHBondContact NE2-O 2.96Å; Q149-V235 VanDerWaalsContact NE2-O 3.12Å; V235-T242 CarbonylContact C-O 3.55Å; V235-T242 VanDerWaalsContact CA-O 3.24Å; V235-T242 WeakPolarHBondContact CA-O 3.44Å; V235-R244 VanDerWaalsContact C-CG 3.42Å; V235-R244 WeakPolarHBondContact O-CG 3.42Å; V235-R244 PolarHBondContact O-NE 2.97Å
236L94.8Very high96Very high8 Ų833.4 Ų33.44%0.04217%0.172CC..  trans-60142.9176.1-69.1178.4000111R207 E238 E240 T242 R244 E247R207-L236 VanDerWaalsContact NH2-CD1 3.26Å; L236-E238 PolarHBondContact O-N 3.09Å; L236-E240 WeakPolarHBondContact O-CA 3.37Å; L236-E240 PolarHBondContact O-N 3.27Å; L236-T242 HydrophobicContact CD1-CG2 3.87Å; L236-T242 HydrophobicContact CG-CG2 4.36Å; L236-T242 PolarHBondContact N-O 2.91Å; L236-R244 HydrophobicContact CD2-CB 4.46Å; L236-R244 HydrophobicContact CD2-CG 4.06Å; L236-E247 HydrophobicContact CD1-CB 3.98Å; L236-E247 HydrophobicContact CD1-CG 3.78Å; L236-E247 HydrophobicContact CD2-CB 4.04Å; L236-E247 HydrophobicContact CD2-CG 3.94Å; L236-E247 HydrophobicContact CG-CB 4.27Å; L236-E247 HydrophobicContact CG-CG 4.38Å
237H90.8Very high95.9Very high98 Ų9834 Ų3445%0.45417%0.174SC..THydrogen-bonded Turntrans-65.6-27.2169.8-177.3-57.4000111.1
238E90.5Very high95.9Very high80 Ų8034.3 Ų34.337%0.37418%0.177SC..THydrogen-bonded Turntrans-77.4-23.7-175.2-63.799.3135.200115.3Q206 R207 L236Q206-E238 WeakPolarHBondContact CA-OE1 3.15Å; R207-E238 PolarHBondContact N-OE1 3.08Å; L236-E238 PolarHBondContact O-N 3.09Å
239D90.9Very high95.9Very high47 Ų4734.3 Ų34.325%0.25118%0.176SC..THydrogen-bonded Turntrans-144.42.2-177.768.826.2000115.8R207 T241 T242R207-D239 IonicContact CZ-OD2 2.74Å; R207-D239 IonicContact NH1-OD2 3.76Å; R207-D239 PolarHBondContact NH1-OD2 2.87Å; R207-D239 IonicContact NH2-OD2 3.54Å; R207-D239 PolarHBondContact NH2-OD2 3.1Å; D239-T241 WeakPolarHBondContact O-CB 3.14Å; D239-T241 WeakPolarHBondContact O-CG2 3.22Å; D239-T241 PolarHBondContact O-N 3.04Å; D239-T241 PolarHBondContact O-OG1 3.44Å; D239-T241 PolarHBondContact OD1-N 3.41Å; D239-T241 PolarHBondContact OD1-OG1 2.88Å; D239-T242 VanDerWaalsContact CG-OG1 3.31Å; D239-T242 VanDerWaalsContact OD1-CB 3.24Å; D239-T242 WeakPolarHBondContact OD1-CB 3.45Å; D239-T242 PolarHBondContact OD1-N 3.3Å; D239-T242 PolarHBondContact OD1-OG1 3.01Å; D239-T242 PolarHBondContact OD2-OG1 3.37Å
240E88Confident95.9Very high139 Ų13940.2 Ų40.265%0.6520%0.202SC*.SBendtrans48.914.3175-61.4-174.7168.600116.1L236L236-E240 WeakPolarHBondContact O-CA 3.37Å; L236-E240 PolarHBondContact O-N 3.27Å
241T93.9Very high95.9Very high112 Ų11240.9 Ų40.969%0.68721%0.205SC*.SBendtrans-132.8-34.3-173.2500000111.4D239D239-T241 WeakPolarHBondContact O-CB 3.14Å; D239-T241 WeakPolarHBondContact O-CG2 3.22Å; D239-T241 PolarHBondContact O-N 3.04Å; D239-T241 PolarHBondContact O-OG1 3.44Å; D239-T241 PolarHBondContact OD1-N 3.41Å; D239-T241 PolarHBondContact OD1-OG1 2.88Å
242T96.3Very high95.9Very high28 Ų2840.6 Ų40.617%0.17220%0.204CC..SBendtrans-79.1124.3178-57.60000110.2V235 L236 D239 R244 E247V235-T242 CarbonylContact C-O 3.55Å; V235-T242 VanDerWaalsContact CA-O 3.24Å; V235-T242 WeakPolarHBondContact CA-O 3.44Å; L236-T242 HydrophobicContact CD1-CG2 3.87Å; L236-T242 HydrophobicContact CG-CG2 4.36Å; L236-T242 PolarHBondContact N-O 2.91Å; D239-T242 VanDerWaalsContact CG-OG1 3.31Å; D239-T242 VanDerWaalsContact OD1-CB 3.24Å; D239-T242 WeakPolarHBondContact OD1-CB 3.45Å; D239-T242 PolarHBondContact OD1-N 3.3Å; D239-T242 PolarHBondContact OD1-OG1 3.01Å; D239-T242 PolarHBondContact OD2-OG1 3.37Å; T242-R244 PolarHBondContact O-N 3.45Å; T242-E247 HydrophobicContact CG2-CB 4.07Å
243N97.7Very high95.9Very high25 Ų2542.3 Ų42.313%0.13421%0.213CC..BIsolated β-bridgetrans-60131.8170.9178.5-80.4000111.4Y232 Q234 M245 Q246 E247Y232-N243 PolarHBondContact O-ND2 3.37Å; Q234-N243 CarbonylContact O-C 3.57Å; Q234-N243 WeakPolarHBondContact O-CA 3.34Å; N243-M245 PolarHBondContact O-N 2.89Å; N243-M245 WeakPolarHBondContact OD1-CB 3.36Å; N243-M245 PolarHBondContact OD1-N 3.21Å; N243-Q246 HydrophobicContact CB-CB 4.07Å; N243-Q246 HydrophobicContact CB-CG 4.01Å; N243-Q246 PolarHBondContact O-N 3.41Å; N243-Q246 PolarHBondContact OD1-N 3.42Å; N243-E247 PolarHBondContact O-N 3.07Å
244R97.6Very high95.9Very high17 Ų1745.3 Ų45.36%0.06424%0.235CC..Hα-helixtrans-63.6-40.3-174.3-65.7-168.2171.6-156-0.9113.1E43 E231 Q234 V235 L236 T242 E247 S248E43-R244 IonicContact OE2-CZ 3.8Å; E43-R244 IonicContact OE2-NH1 3.26Å; E43-R244 PolarHBondContact OE2-NH1 3.44Å; E43-R244 IonicContact OE2-NH2 2.66Å; E43-R244 PolarHBondContact OE2-NH2 3.19Å; E43-R244 VanDerWaalsContact OE2-NH2 3.16Å; E231-R244 HydrophobicContact CB-CB 3.85Å; E231-R244 IonicContact OE1-NH1 3.43Å; E231-R244 WeakPolarHBondContact OE2-CD 3.24Å; E231-R244 IonicContact OE2-NH1 2.77Å; Q234-R244 HydrophobicContact CB-CG 4.14Å; Q234-R244 PolarHBondContact O-N 3.28Å; V235-R244 VanDerWaalsContact C-CG 3.42Å; V235-R244 WeakPolarHBondContact O-CG 3.42Å; V235-R244 PolarHBondContact O-NE 2.97Å; L236-R244 HydrophobicContact CD2-CB 4.46Å; L236-R244 HydrophobicContact CD2-CG 4.06Å; T242-R244 PolarHBondContact O-N 3.45Å; R244-E247 WeakPolarHBondContact O-CB 3.32Å; R244-E247 PolarHBondContact O-N 3.21Å; R244-S248 PolarHBondContact O-N 3.44Å
245M98.2Very high95.9Very high2 Ų245.1 Ų45.11%0.0124%0.235CC..Hα-helixtrans-68.2-39.4176.9179.866.874.700111.7V227 A228 N243 S248 L249 C288 F289 I305 F309V227-M245 HydrophobicContact CG1-CE 4.02Å; V227-M245 HydrophobicContact CG1-SD 3.79Å; A228-M245 WeakPolarHBondContact O-CE 3.39Å; N243-M245 PolarHBondContact O-N 2.89Å; N243-M245 WeakPolarHBondContact OD1-CB 3.36Å; N243-M245 PolarHBondContact OD1-N 3.21Å; M245-S248 WeakPolarHBondContact O-CB 3.23Å; M245-S248 PolarHBondContact O-N 2.63Å; M245-S248 VanDerWaalsContact O-N 3.15Å; M245-L249 PolarHBondContact O-N 2.62Å; M245-C288 VanDerWaalsContact CB-SG 3.6Å; M245-C288 VanDerWaalsContact CG-SG 3.54Å; M245-F289 HydrophobicContact CG-CE2 4Å; M245-F289 HydrophobicContact CG-CZ 3.91Å; M245-I305 HydrophobicContact CE-CD1 4.37Å; M245-I305 HydrophobicContact CE-CG2 4.31Å; M245-I305 HydrophobicContact SD-CG2 4.49Å; M245-F309 HydrophobicContact SD-CE2 3.55Å; M245-F309 VanDerWaalsContact SD-CE2 3.55Å; M245-F309 HydrophobicContact SD-CZ 3.75Å
246Q98Very high95.9Very high61 Ų6142.7 Ų42.729%0.28522%0.22SC..Hα-helixtrans-64.1-39173.6-69.3-63.8-24.300112.5N243 S248 L249 K250 C288N243-Q246 HydrophobicContact CB-CB 4.07Å; N243-Q246 HydrophobicContact CB-CG 4.01Å; N243-Q246 PolarHBondContact O-N 3.41Å; N243-Q246 PolarHBondContact OD1-N 3.42Å; Q246-S248 VanDerWaalsContact C-N 3.33Å; Q246-L249 PolarHBondContact O-N 3.08Å; Q246-K250 WeakPolarHBondContact O-CG 3.36Å; Q246-K250 PolarHBondContact O-N 3.24Å; Q246-C288 PolarHBondContact NE2-O 3.27Å; Q246-C288 PolarHBondContact NE2-SG 3.33Å; Q246-C288 VanDerWaalsContact NE2-SG 3.4Å
247E97.7Very high95.9Very high12 Ų1244.8 Ų44.86%0.05623%0.231CC..Hα-helixtrans-60.3-44.3170.3176.972.117800111.2R207 R210 L236 T242 N243 R244 L249 K250 L251R207-E247 IonicContact CZ-OE1 2.78Å; R207-E247 IonicContact CZ-OE2 2.9Å; R207-E247 IonicContact NE-OE1 2.92Å; R207-E247 PolarHBondContact NE-OE1 2.89Å; R207-E247 IonicContact NE-OE2 3.18Å; R207-E247 IonicContact NH2-OE1 3.82Å; R207-E247 IonicContact NH2-OE2 3.79Å; R207-E247 PolarHBondContact NH2-OE2 3.5Å; R210-E247 IonicContact CZ-OE1 2.73Å; R210-E247 VanDerWaalsContact CZ-OE1 3.22Å; R210-E247 IonicContact NH1-OE1 3.7Å; R210-E247 PolarHBondContact NH1-OE1 3.37Å; R210-E247 IonicContact NH2-OE1 2.71Å; R210-E247 PolarHBondContact NH2-OE1 2.9Å; L236-E247 HydrophobicContact CD1-CB 3.98Å; L236-E247 HydrophobicContact CD1-CG 3.78Å; L236-E247 HydrophobicContact CD2-CB 4.04Å; L236-E247 HydrophobicContact CD2-CG 3.94Å; L236-E247 HydrophobicContact CG-CB 4.27Å; L236-E247 HydrophobicContact CG-CG 4.38Å; T242-E247 HydrophobicContact CG2-CB 4.07Å; N243-E247 PolarHBondContact O-N 3.07Å; R244-E247 WeakPolarHBondContact O-CB 3.32Å; R244-E247 PolarHBondContact O-N 3.21Å; E247-L249 PolarHBondContact O-N 2.95Å; E247-K250 PolarHBondContact O-N 3.02Å; E247-L251 VanDerWaalsContact O-CB 3.29Å; E247-L251 WeakPolarHBondContact O-CB 3.36Å; E247-L251 PolarHBondContact O-N 3.32Å
248S98.4Very high96.1Very high7 Ų742.4 Ų42.45%0.04922%0.221CC..Hα-helixtrans-60.7-42.1177.5-168.30000112.1R244 M245 Q246 L251 F252R244-S248 PolarHBondContact O-N 3.44Å; M245-S248 WeakPolarHBondContact O-CB 3.23Å; M245-S248 PolarHBondContact O-N 2.63Å; M245-S248 VanDerWaalsContact O-N 3.15Å; Q246-S248 VanDerWaalsContact C-N 3.33Å; S248-L251 WeakPolarHBondContact O-CB 3.12Å; S248-L251 PolarHBondContact O-N 3.32Å; S248-F252 WeakPolarHBondContact O-CB 3.46Å; S248-F252 PolarHBondContact O-N 3.44Å
249L98.6Very high96.3Very high5 Ų547.5 Ų47.53%0.02624%0.242CC..Hα-helixtrans-62.8-44.6175-79.4165.3000112.7M245 Q246 E247 L251 F252 D253 F289 S308 F309 K312M245-L249 PolarHBondContact O-N 2.62Å; Q246-L249 PolarHBondContact O-N 3.08Å; E247-L249 PolarHBondContact O-N 2.95Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 2.89Å; L249-F252 PolarHBondContact O-N 2.92Å; L249-D253 WeakPolarHBondContact O-CB 3.36Å; L249-D253 PolarHBondContact O-N 3.39Å; L249-F289 HydrophobicContact CD1-CE1 3.66Å; L249-F289 HydrophobicContact CD1-CZ 3.84Å; L249-S308 WeakPolarHBondContact CD2-O 3.44Å; L249-F309 HydrophobicContact CD2-CB 4.47Å; L249-F309 HydrophobicContact CD2-CD1 3.86Å; L249-F309 HydrophobicContact CD2-CD2 3.73Å; L249-F309 HydrophobicContact CD2-CE1 3.87Å; L249-F309 HydrophobicContact CD2-CE2 3.74Å; L249-F309 HydrophobicContact CD2-CG 3.77Å; L249-F309 HydrophobicContact CD2-CZ 3.8Å; L249-F309 HydrophobicContact CG-CE1 4.16Å; L249-F309 HydrophobicContact CG-CE2 4.01Å; L249-F309 HydrophobicContact CG-CZ 3.81Å; L249-K312 HydrophobicContact CD2-CG 4.34Å
250K98Very high96.4Very high124 Ų12451.5 Ų51.554%0.53925%0.254SS..Hα-helixtrans-62.7-41.1176.3-72.2173.5-176.3175.60111.5Q246 E247 S254Q246-K250 WeakPolarHBondContact O-CG 3.36Å; Q246-K250 PolarHBondContact O-N 3.24Å; E247-K250 PolarHBondContact O-N 3.02Å; K250-S254 PolarHBondContact O-N 3Å; K250-S254 VanDerWaalsContact O-N 3.15Å; K250-S254 PolarHBondContact O-OG 3.26Å
251L97.8Very high96.7Very high13 Ų1344.9 Ų44.97%0.06822%0.223CC..Hα-helixtrans-64.8-45.4176.8-178.662.6000111.1A41 W213 F225 E247 S248 L249 S254 I255A41-L251 HydrophobicContact CB-CD2 4.44Å; W213-L251 HydrophobicContact CH2-CD1 3.76Å; W213-L251 HydrophobicContact CH2-CD2 3.78Å; W213-L251 HydrophobicContact CH2-CG 4.19Å; W213-L251 HydrophobicContact CZ3-CD1 3.64Å; W213-L251 HydrophobicContact CZ3-CD2 4.41Å; W213-L251 HydrophobicContact CZ3-CG 4.33Å; F225-L251 HydrophobicContact CE2-CD2 4.23Å; F225-L251 HydrophobicContact CE2-CG 3.99Å; F225-L251 HydrophobicContact CZ-CB 4.19Å; F225-L251 HydrophobicContact CZ-CD2 3.94Å; F225-L251 HydrophobicContact CZ-CG 3.86Å; E247-L251 VanDerWaalsContact O-CB 3.29Å; E247-L251 WeakPolarHBondContact O-CB 3.36Å; E247-L251 PolarHBondContact O-N 3.32Å; S248-L251 WeakPolarHBondContact O-CB 3.12Å; S248-L251 PolarHBondContact O-N 3.32Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 2.89Å; L251-S254 WeakPolarHBondContact O-CB 3.19Å; L251-S254 PolarHBondContact O-N 2.95Å; L251-I255 WeakPolarHBondContact O-CG1 3.34Å; L251-I255 PolarHBondContact O-N 2.74Å
252F98.3Very high96.5Very high0 Ų043.3 Ų43.30%021%0.213CC..Hα-helixtrans-62.2-44.9177.5-174.9-108.4000112.2F225 S248 L249 S254 I255 C256 I266 L268 F309 K312 I320F225-F252 HydrophobicContact CB-CD2 4.06Å; F225-F252 HydrophobicContact CB-CE2 4.05Å; F225-F252 HydrophobicContact CD1-CB 4.36Å; F225-F252 AromaticContact CD1-CD2 3.51Å; F225-F252 HydrophobicContact CD1-CD2 3.51Å; F225-F252 HydrophobicContact CD1-CE2 4.22Å; F225-F252 HydrophobicContact CD1-CG 4.33Å; F225-F252 AromaticContact CD2-CD2 3.85Å; F225-F252 HydrophobicContact CD2-CD2 3.85Å; F225-F252 HydrophobicContact CE1-CB 3.77Å; F225-F252 AromaticContact CE1-CD2 3.81Å; F225-F252 HydrophobicContact CE1-CD2 3.81Å; F225-F252 HydrophobicContact CE1-CG 4.23Å; F225-F252 HydrophobicContact CE2-CB 4.29Å; F225-F252 HydrophobicContact CE2-CD2 4.13Å; F225-F252 AromaticContact CG-CD2 3.53Å; F225-F252 HydrophobicContact CG-CD2 3.53Å; F225-F252 HydrophobicContact CG-CE2 4.04Å; F225-F252 HydrophobicContact CZ-CB 3.72Å; F225-F252 HydrophobicContact CZ-CD2 4.1Å; F225-F252 HydrophobicContact CZ-CG 4.44Å; S248-F252 WeakPolarHBondContact O-CB 3.46Å; S248-F252 PolarHBondContact O-N 3.44Å; L249-F252 PolarHBondContact O-N 2.92Å; F252-S254 PolarHBondContact O-N 3.4Å; F252-I255 PolarHBondContact O-N 2.71Å; F252-I255 VanDerWaalsContact O-N 3.11Å; F252-C256 HydrophobicContact CD1-CB 4.37Å; F252-C256 HydrophobicContact CE1-CB 4.04Å; F252-C256 HydrophobicContact CE2-CB 4.44Å; F252-C256 HydrophobicContact CZ-CB 4.1Å; F252-C256 VanDerWaalsContact O-CB 3.25Å; F252-C256 WeakPolarHBondContact O-CB 3.46Å; F252-C256 PolarHBondContact O-N 3.33Å; F252-I266 HydrophobicContact CE2-CG2 3.86Å; F252-I266 HydrophobicContact CZ-CG2 4.2Å; F252-L268 HydrophobicContact CD2-CD1 4.41Å; F252-L268 HydrophobicContact CE2-CD1 4.1Å; F252-L268 HydrophobicContact CZ-CD1 4.5Å; F252-F309 HydrophobicContact CB-CD1 3.7Å; F252-F309 HydrophobicContact CB-CE1 3.81Å; F252-F309 HydrophobicContact CD1-CB 4.24Å; F252-F309 AromaticContact CD1-CD1 3.69Å; F252-F309 HydrophobicContact CD1-CD1 3.69Å; F252-F309 HydrophobicContact CD1-CG 4.45Å; F252-F309 HydrophobicContact CD2-CD1 4.3Å; F252-F309 HydrophobicContact CE1-CB 4.26Å; F252-F309 HydrophobicContact CE1-CD1 4.4Å; F252-F309 WeakPolarHBondContact CE1-O 3.45Å; F252-F309 AromaticContact CG-CD1 3.63Å; F252-F309 HydrophobicContact CG-CD1 3.63Å; F252-F309 HydrophobicContact CG-CE1 4.22Å; F252-K312 HydrophobicContact CD1-CB 3.89Å; F252-K312 HydrophobicContact CD1-CG 4.26Å; F252-K312 HydrophobicContact CE1-CB 4.3Å; F252-I320 HydrophobicContact CE1-CD1 3.79Å; F252-I320 HydrophobicContact CZ-CD1 3.59Å; F252-I320 HydrophobicContact CZ-CG1 4.26Å; F252-I320 HydrophobicContact CZ-CG2 4.43Å
253D98.2Very high96.2Very high37 Ų3749.5 Ų49.520%0.19825%0.246CC..Hα-helixtrans-54.8-41.6174.4-178.133000111.7L249 N257 K312 R314L249-D253 WeakPolarHBondContact O-CB 3.36Å; L249-D253 PolarHBondContact O-N 3.39Å; D253-N257 WeakPolarHBondContact O-CB 3.25Å; D253-N257 PolarHBondContact O-N 3.24Å; D253-N257 PolarHBondContact O-ND2 3.3Å; D253-N257 PolarHBondContact OD1-ND2 2.99Å; D253-K312 HydrophobicContact CB-CB 4.06Å; D253-K312 HydrophobicContact CB-CD 4.15Å; D253-K312 HydrophobicContact CB-CG 4.17Å; D253-R314 IonicContact OD1-CZ 2.74Å; D253-R314 IonicContact OD1-NE 3.48Å; D253-R314 PolarHBondContact OD1-NE 3.05Å; D253-R314 IonicContact OD1-NH2 3.75Å; D253-R314 PolarHBondContact OD1-NH2 3.18Å; D253-R314 IonicContact OD2-NH2 2.8Å; D253-R314 PolarHBondContact OD2-NH2 3.3Å
254S96.9Very high95.9Very high74 Ų7449.1 Ų49.152%0.51724%0.244SC..Hα-helixtrans-67.8-36.2178-57.40000113.1K250 L251 F252 N258K250-S254 PolarHBondContact O-N 3Å; K250-S254 VanDerWaalsContact O-N 3.15Å; K250-S254 PolarHBondContact O-OG 3.26Å; L251-S254 WeakPolarHBondContact O-CB 3.19Å; L251-S254 PolarHBondContact O-N 2.95Å; F252-S254 PolarHBondContact O-N 3.4Å; S254-N258 WeakPolarHBondContact O-CB 3.4Å; S254-N258 PolarHBondContact O-N 3.39Å
255I96.3Very high95.6Very high8 Ų849.6 Ų49.64%0.04125%0.25CS..Hα-helixtrans-79.7-49.9-179.8-66.8-55.3000111.2L39 W213 F217 I223 F225 L251 F252 N257 N258 F261L39-I255 HydrophobicContact CD1-CD1 3.87Å; L39-I255 HydrophobicContact CD1-CG1 4.11Å; L39-I255 HydrophobicContact CD1-CG2 3.76Å; W213-I255 HydrophobicContact CE3-CD1 4.1Å; W213-I255 HydrophobicContact CZ3-CD1 3.97Å; W213-I255 HydrophobicContact CZ3-CG1 4.28Å; F217-I255 HydrophobicContact CZ-CD1 4.32Å; I223-I255 HydrophobicContact CD1-CG2 3.96Å; I223-I255 HydrophobicContact CG2-CG2 4.44Å; F225-I255 HydrophobicContact CD2-CB 4.48Å; F225-I255 HydrophobicContact CD2-CG2 4.37Å; F225-I255 HydrophobicContact CE2-CB 4.37Å; F225-I255 HydrophobicContact CE2-CG1 4.1Å; L251-I255 WeakPolarHBondContact O-CG1 3.34Å; L251-I255 PolarHBondContact O-N 2.74Å; F252-I255 PolarHBondContact O-N 2.71Å; F252-I255 VanDerWaalsContact O-N 3.11Å; I255-N257 PolarHBondContact O-N 3Å; I255-N258 WeakPolarHBondContact O-CB 2.9Å; I255-N258 PolarHBondContact O-N 2.86Å; I255-F261 HydrophobicContact CD1-CE2 4.31Å; I255-F261 HydrophobicContact CG2-CD2 4.11Å; I255-F261 HydrophobicContact CG2-CE2 4.13Å
256C96.4Very high95.5Very high0 Ų049.5 Ų49.50%025%0.25CC..Hα-helixtrans-60.1-33.8-176.2-171.90000112.1F252 I266 K318F252-C256 HydrophobicContact CD1-CB 4.37Å; F252-C256 HydrophobicContact CE1-CB 4.04Å; F252-C256 HydrophobicContact CE2-CB 4.44Å; F252-C256 HydrophobicContact CZ-CB 4.1Å; F252-C256 VanDerWaalsContact O-CB 3.25Å; F252-C256 WeakPolarHBondContact O-CB 3.46Å; F252-C256 PolarHBondContact O-N 3.33Å; C256-I266 HydrophobicContact CB-CD1 4Å; C256-K318 PolarHBondContact O-NZ 3.44Å
257N96.4Very high95.5Very high51 Ų5146.7 Ų46.727%0.27324%0.237SC..THydrogen-bonded Turntrans-10111.9179.7-57.7-61.7000113.6D253 I255 K312 R314D253-N257 WeakPolarHBondContact O-CB 3.25Å; D253-N257 PolarHBondContact O-N 3.24Å; D253-N257 PolarHBondContact O-ND2 3.3Å; D253-N257 PolarHBondContact OD1-ND2 2.99Å; I255-N257 PolarHBondContact O-N 3Å; N257-K312 PolarHBondContact ND2-O 2.85Å; N257-R314 PolarHBondContact ND2-NE 3.5Å; N257-R314 WeakPolarHBondContact OD1-CB 3.47Å; N257-R314 WeakPolarHBondContact OD1-CG 3.32Å; N257-R314 PolarHBondContact OD1-N 3.16Å
258N94.4Very high95.5Very high48 Ų4846.1 Ų46.126%0.25723%0.234SC..  trans-72.4136.7178.2-160.4-46.8000111.1S254 I255 W260 F261S254-N258 WeakPolarHBondContact O-CB 3.4Å; S254-N258 PolarHBondContact O-N 3.39Å; I255-N258 WeakPolarHBondContact O-CB 2.9Å; I255-N258 PolarHBondContact O-N 2.86Å; N258-W260 PolarHBondContact O-N 2.65Å; N258-W260 PolarHBondContact OD1-N 3Å; N258-W260 VanDerWaalsContact OD1-N 3.09Å; N258-F261 HydrophobicContact CB-CD2 3.78Å; N258-F261 HydrophobicContact CB-CE2 4.45Å; N258-F261 CarbonylContact O-C 3.59Å; N258-F261 PolarHBondContact O-N 3.19Å
259K93.7Very high95.5Very high187 Ų18745.9 Ų45.981%0.81323%0.232SC*.G310 helixtrans-60.5-32.4178.1-65.2-175.5179.4-178.10113.3F261 T262K259-F261 PolarHBondContact O-N 3.39Å; K259-T262 PolarHBondContact O-N 3.06Å; K259-T262 PolarHBondContact O-OG1 3.42Å
260W93.3Very high95.5Very high131 Ų13145.7 Ų45.750%0.49623%0.231SC..G310 helixtrans-60.2-23174.6-77.298.9000113F217 E218 N258F217-W260 HydrophobicContact CB-CB 4.37Å; F217-W260 HydrophobicContact CB-CD2 4.16Å; F217-W260 HydrophobicContact CB-CE3 4.13Å; F217-W260 HydrophobicContact CB-CG 4.28Å; F217-W260 HydrophobicContact CD2-CB 3.83Å; F217-W260 AromaticContact CD2-CD1 3.92Å; F217-W260 HydrophobicContact CD2-CD2 4.38Å; F217-W260 AromaticContact CD2-CG 3.77Å; F217-W260 HydrophobicContact CD2-CG 3.77Å; F217-W260 HydrophobicContact CG-CB 4.49Å; E218-W260 HydrophobicContact CG-CZ3 4.12Å; N258-W260 PolarHBondContact O-N 2.65Å; N258-W260 PolarHBondContact OD1-N 3Å; N258-W260 VanDerWaalsContact OD1-N 3.09Å
261F93.9Very high95.6Very high0 Ų039.9 Ų39.90%021%0.206CC..G310 helixtrans-11823.5-172.4-56.1-44.7000112.7L37 L39 F217 V220 I223 I255 N258 K259 D263 T264 K318L37-F261 HydrophobicContact CD2-CZ 4.07Å; L39-F261 HydrophobicContact CD1-CE2 4.31Å; L39-F261 HydrophobicContact CD1-CZ 4.47Å; F217-F261 HydrophobicContact CB-CE1 4.18Å; F217-F261 HydrophobicContact CB-CZ 4.24Å; F217-F261 HydrophobicContact CD1-CE1 4.06Å; F217-F261 HydrophobicContact CD1-CE2 4.26Å; F217-F261 AromaticContact CD1-CZ 3.36Å; F217-F261 HydrophobicContact CD1-CZ 3.36Å; F217-F261 HydrophobicContact CD2-CE1 4.25Å; F217-F261 HydrophobicContact CD2-CE2 4.03Å; F217-F261 AromaticContact CD2-CZ 3.64Å; F217-F261 HydrophobicContact CD2-CZ 3.64Å; F217-F261 HydrophobicContact CE1-CE1 4.49Å; F217-F261 AromaticContact CE1-CE2 3.91Å; F217-F261 HydrophobicContact CE1-CE2 3.91Å; F217-F261 AromaticContact CE1-CZ 3.4Å; F217-F261 HydrophobicContact CE1-CZ 3.4Å; F217-F261 VanDerWaalsContact CE1-CZ 3.4Å; F217-F261 AromaticContact CE2-CE2 3.67Å; F217-F261 HydrophobicContact CE2-CE2 3.67Å; F217-F261 AromaticContact CE2-CZ 3.69Å; F217-F261 HydrophobicContact CE2-CZ 3.69Å; F217-F261 AromaticContact CG-CE1 3.92Å; F217-F261 HydrophobicContact CG-CE1 3.92Å; F217-F261 HydrophobicContact CG-CE2 4.31Å; F217-F261 AromaticContact CG-CZ 3.47Å; F217-F261 HydrophobicContact CG-CZ 3.47Å; F217-F261 VanDerWaalsContact CG-CZ 3.47Å; F217-F261 AromaticContact CZ-CE2 3.6Å; F217-F261 HydrophobicContact CZ-CE2 3.6Å; F217-F261 AromaticContact CZ-CZ 3.57Å; F217-F261 HydrophobicContact CZ-CZ 3.57Å; V220-F261 HydrophobicContact CB-CE1 4.41Å; V220-F261 HydrophobicContact CG2-CE1 4.26Å; I223-F261 HydrophobicContact CD1-CB 4.05Å; I223-F261 HydrophobicContact CD1-CD1 3.62Å; I223-F261 HydrophobicContact CD1-CD2 3.44Å; I223-F261 VanDerWaalsContact CD1-CD2 3.44Å; I223-F261 HydrophobicContact CD1-CE1 3.76Å; I223-F261 HydrophobicContact CD1-CE2 3.58Å; I223-F261 HydrophobicContact CD1-CG 3.44Å; I223-F261 VanDerWaalsContact CD1-CG 3.44Å; I223-F261 HydrophobicContact CD1-CZ 3.7Å; I223-F261 HydrophobicContact CG1-CD1 4.5Å; I223-F261 HydrophobicContact CG1-CE1 4.42Å; I255-F261 HydrophobicContact CD1-CE2 4.31Å; I255-F261 HydrophobicContact CG2-CD2 4.11Å; I255-F261 HydrophobicContact CG2-CE2 4.13Å; N258-F261 HydrophobicContact CB-CD2 3.78Å; N258-F261 HydrophobicContact CB-CE2 4.45Å; N258-F261 CarbonylContact O-C 3.59Å; N258-F261 PolarHBondContact O-N 3.19Å; K259-F261 PolarHBondContact O-N 3.39Å; F261-D263 VanDerWaalsContact C-N 3.28Å; F261-D263 PolarHBondContact O-N 2.88Å; F261-T264 WeakPolarHBondContact CA-OG1 3.35Å; F261-T264 HydrophobicContact CD1-CG2 4.43Å; F261-T264 PolarHBondContact O-N 3Å; F261-K318 WeakPolarHBondContact O-CE 3.25Å; F261-K318 PolarHBondContact O-NZ 3.2Å
262T91.1Very high95.6Very high79 Ų7940.2 Ų40.249%0.48521%0.207SC..THydrogen-bonded Turntrans-54.2-47.5-174.9-56.30000111.4K259 K318K259-T262 PolarHBondContact O-N 3.06Å; K259-T262 PolarHBondContact O-OG1 3.42Å; T262-K318 VanDerWaalsContact O-CE 3.23Å; T262-K318 WeakPolarHBondContact O-CE 3.31Å
263D88.4Confident95.6Very high159 Ų15943 Ų4385%0.8522%0.219SC*.THydrogen-bonded Turntrans-103.15.8-177.7-53.6-49.8000113.1F261F261-D263 VanDerWaalsContact C-N 3.28Å; F261-D263 PolarHBondContact O-N 2.88Å
264T92.3Very high95.5Very high16 Ų1643.4 Ų43.410%0.09822%0.221CC..  trans-82.3129.1179.8-53.80000110.4V220 I223 F261V220-T264 HydrophobicContact CB-CG2 4.35Å; V220-T264 HydrophobicContact CG1-CG2 3.86Å; I223-T264 HydrophobicContact CD1-CG2 4.2Å; I223-T264 HydrophobicContact CG1-CG2 3.95Å; F261-T264 WeakPolarHBondContact CA-OG1 3.35Å; F261-T264 HydrophobicContact CD1-CG2 4.43Å; F261-T264 PolarHBondContact O-N 3Å
265S91.8Very high95.6Very high28 Ų2842 Ų4220%0.19621%0.208CC..EExtended strand (participates in β ladder)trans-65.5140.2173.2-64.10000111.1A222 I223 N347A222-S265 WeakPolarHBondContact CA-O 3.46Å; I223-S265 PolarHBondContact N-O 2.73Å; S265-N347 PolarHBondContact OG-ND2 3.29Å; S265-N347 VanDerWaalsContact OG-ND2 3.15Å
266I96.1Very high95.7Very high0 Ų041.7 Ų41.70%021%0.206CC..EExtended strand (participates in β ladder)trans-118.4126178.9-59.3-174.9000109.6I223 F252 C256 K318 I320 Y321I223-I266 HydrophobicContact CB-CG1 4.46Å; F252-I266 HydrophobicContact CE2-CG2 3.86Å; F252-I266 HydrophobicContact CZ-CG2 4.2Å; C256-I266 HydrophobicContact CB-CD1 4Å; I266-K318 HydrophobicContact CD1-CD 3.93Å; I266-K318 HydrophobicContact CG1-CD 4.35Å; I266-I320 WeakPolarHBondContact O-CA 3.44Å; I266-Y321 PolarHBondContact O-N 3.26Å
267I97.3Very high95.7Very high2 Ų245.7 Ų45.71%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-109.3120.9174.9-58.2149000106.8A222 I223 I224 F225 F269 Y321 V340A222-I267 HydrophobicContact CB-CD1 4.08Å; I223-I267 PolarHBondContact O-N 2.93Å; I224-I267 CarbonylContact C-O 3.59Å; I224-I267 WeakPolarHBondContact CA-O 3.34Å; I224-I267 HydrophobicContact CG1-CB 4.26Å; I224-I267 HydrophobicContact CG1-CD1 3.99Å; F225-I267 PolarHBondContact N-O 3.07Å; I267-F269 HydrophobicContact CG2-CD1 3.72Å; I267-F269 HydrophobicContact CG2-CE1 3.44Å; I267-F269 VanDerWaalsContact CG2-CE1 3.44Å; I267-F269 HydrophobicContact CG2-CZ 4.5Å; I267-Y321 CarbonylContact C-O 3.43Å; I267-Y321 VanDerWaalsContact CA-O 3.31Å; I267-Y321 WeakPolarHBondContact CA-O 3.39Å; I267-V340 HydrophobicContact CD1-CB 4.28Å; I267-V340 HydrophobicContact CD1-CG1 3.44Å; I267-V340 VanDerWaalsContact CD1-CG1 3.44Å; I267-V340 HydrophobicContact CD1-CG2 3.99Å; I267-V340 HydrophobicContact CG1-CG2 4.32Å; I267-V340 HydrophobicContact CG2-CG2 3.66Å
268L98.3Very high95.7Very high0 Ų047.8 Ų47.80%023%0.233CC..EExtended strand (participates in β ladder)trans-96.6112.4179.618065.8000109.5F225 V227 F252 L270 F309 I320 Y321 C322 H323F225-L268 HydrophobicContact CD1-CD1 4.1Å; V227-L268 HydrophobicContact CG2-CD1 3.66Å; F252-L268 HydrophobicContact CD2-CD1 4.41Å; F252-L268 HydrophobicContact CE2-CD1 4.1Å; F252-L268 HydrophobicContact CZ-CD1 4.5Å; L268-L270 HydrophobicContact CD1-CD2 4.34Å; L268-L270 HydrophobicContact CD2-CD2 3.97Å; L268-L270 HydrophobicContact CD2-CG 4.4Å; L268-L270 HydrophobicContact CG-CD2 3.97Å; L268-L270 HydrophobicContact CG-CG 4.33Å; L268-F309 HydrophobicContact CD1-CB 4.46Å; L268-F309 HydrophobicContact CD1-CD1 4.14Å; L268-F309 HydrophobicContact CD1-CG 4.33Å; L268-F309 HydrophobicContact CD2-CB 3.55Å; L268-F309 HydrophobicContact CD2-CG 4.13Å; L268-I320 HydrophobicContact CB-CG2 3.64Å; L268-I320 HydrophobicContact CD2-CG2 4.33Å; L268-Y321 PolarHBondContact N-O 2.6Å; L268-C322 HydrophobicContact CB-CB 4.48Å; L268-C322 CarbonylContact O-C 3.57Å; L268-C322 WeakPolarHBondContact O-CA 3.46Å; L268-H323 PolarHBondContact O-N 3.42Å
269F98.7Very high95.8Very high2 Ų246.2 Ų46.21%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-93.4107.3171.8-80.712.9000109.6I49 I224 F225 V227 I267 N271 H323 T325 V336 V340I49-F269 HydrophobicContact CD1-CD2 3.58Å; I49-F269 HydrophobicContact CD1-CE2 3.89Å; I224-F269 HydrophobicContact CD1-CZ 4.42Å; I224-F269 HydrophobicContact CG2-CB 4.44Å; I224-F269 HydrophobicContact CG2-CD1 4.06Å; I224-F269 HydrophobicContact CG2-CD2 3.61Å; I224-F269 HydrophobicContact CG2-CE1 4.17Å; I224-F269 HydrophobicContact CG2-CE2 3.73Å; I224-F269 HydrophobicContact CG2-CG 3.77Å; I224-F269 HydrophobicContact CG2-CZ 4Å; F225-F269 PolarHBondContact O-N 3.43Å; V227-F269 PolarHBondContact N-O 3.17Å; I267-F269 HydrophobicContact CG2-CD1 3.72Å; I267-F269 HydrophobicContact CG2-CE1 3.44Å; I267-F269 VanDerWaalsContact CG2-CE1 3.44Å; I267-F269 HydrophobicContact CG2-CZ 4.5Å; F269-N271 PolarHBondContact O-N 3.14Å; F269-H323 WeakPolarHBondContact CA-O 3.34Å; F269-H323 HydrophobicContact CD1-CB 4.18Å; F269-H323 HydrophobicContact CE1-CB 4.28Å; F269-T325 HydrophobicContact CB-CG2 4.43Å; F269-T325 HydrophobicContact CD1-CG2 4.22Å; F269-T325 HydrophobicContact CD2-CG2 3.96Å; F269-T325 HydrophobicContact CE1-CG2 4.49Å; F269-T325 HydrophobicContact CE2-CG2 4.27Å; F269-T325 HydrophobicContact CG-CG2 3.96Å; F269-V336 HydrophobicContact CD1-CG1 4.32Å; F269-V336 HydrophobicContact CE1-CG1 3.46Å; F269-V336 VanDerWaalsContact CE1-CG1 3.46Å; F269-V336 HydrophobicContact CE2-CG1 4.4Å; F269-V336 HydrophobicContact CZ-CG1 3.53Å; F269-V340 HydrophobicContact CE1-CG2 4.03Å; F269-V340 HydrophobicContact CZ-CG2 4.3Å
270L98.7Very high96Very high0 Ų037.4 Ų37.40%019%0.185CC..EExtended strand (participates in β ladder)trans-83.184.8167.4-60.5-175.2000108.2V227 M229 L268 I305 Q306 F309 C322 H323 Q324 T325V227-L270 HydrophobicContact CB-CD2 4.03Å; V227-L270 HydrophobicContact CG1-CD2 4.28Å; V227-L270 HydrophobicContact CG2-CD2 4.28Å; M229-L270 HydrophobicContact CG-CB 3.84Å; M229-L270 HydrophobicContact SD-CB 3.65Å; L268-L270 HydrophobicContact CD1-CD2 4.34Å; L268-L270 HydrophobicContact CD2-CD2 3.97Å; L268-L270 HydrophobicContact CD2-CG 4.4Å; L268-L270 HydrophobicContact CG-CD2 3.97Å; L268-L270 HydrophobicContact CG-CG 4.33Å; L270-I305 HydrophobicContact CD2-CG2 4.21Å; L270-Q306 HydrophobicContact CD1-CB 3.76Å; L270-Q306 HydrophobicContact CD1-CG 4.35Å; L270-F309 HydrophobicContact CD2-CD2 4.43Å; L270-C322 WeakPolarHBondContact CD1-SG 3.44Å; L270-H323 PolarHBondContact N-O 2.93Å; L270-Q324 HydrophobicContact CB-CG 4.31Å; L270-Q324 CarbonylContact O-C 3.48Å; L270-Q324 WeakPolarHBondContact O-CA 3.26Å; L270-T325 PolarHBondContact O-N 3.26Å
271N98.7Very high96.1Very high3 Ų337.5 Ų37.52%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-88.8167.8-171-170.233.9000112.9S44 V227 M229 F269 K273 T325 A327S44-N271 PolarHBondContact O-ND2 2.73Å; V227-N271 WeakPolarHBondContact O-CA 3.49Å; V227-N271 WeakPolarHBondContact O-CB 3.48Å; V227-N271 PolarHBondContact O-N 2.96Å; M229-N271 WeakPolarHBondContact CB-O 3.29Å; M229-N271 WeakPolarHBondContact CG-O 3.37Å; M229-N271 PolarHBondContact N-O 3.42Å; F269-N271 PolarHBondContact O-N 3.14Å; N271-K273 VanDerWaalsContact C-N 3.26Å; N271-K273 PolarHBondContact O-N 3.48Å; N271-T325 CarbonylContact C-O 3.57Å; N271-T325 VanDerWaalsContact CA-O 3.3Å; N271-T325 WeakPolarHBondContact CA-O 3.32Å; N271-T325 WeakPolarHBondContact CA-OG1 3.24Å; N271-T325 VanDerWaalsContact CB-OG1 3.3Å; N271-T325 WeakPolarHBondContact CB-OG1 3.43Å; N271-T325 PolarHBondContact OD1-O 3.21Å; N271-T325 PolarHBondContact OD1-OG1 2.77Å; N271-A327 PolarHBondContact OD1-N 2.85Å
272K98.2Very high96.2Very high20 Ų2044.8 Ų44.89%0.08722%0.217CC..  trans59.937-176.6-50.7-176.7-173.5174.90112E43 D152 A228 S230 E231 D274 L275 F276 T325E43-K272 WeakPolarHBondContact O-CE 3.48Å; E43-K272 PolarHBondContact O-NZ 2.61Å; D152-K272 WeakPolarHBondContact OD2-CD 3.49Å; D152-K272 VanDerWaalsContact OD2-CE 3.25Å; D152-K272 WeakPolarHBondContact OD2-CE 3.44Å; D152-K272 IonicContact OD2-NZ 2.67Å; D152-K272 PolarHBondContact OD2-NZ 3.45Å; A228-K272 HydrophobicContact CB-CD 3.74Å; A228-K272 HydrophobicContact CB-CG 4.38Å; S230-K272 VanDerWaalsContact OG-CD 3.31Å; S230-K272 WeakPolarHBondContact OG-CD 3.38Å; E231-K272 IonicContact OE1-NZ 3.18Å; E231-K272 PolarHBondContact OE1-NZ 2.88Å; K272-D274 VanDerWaalsContact C-OD1 3.26Å; K272-D274 WeakPolarHBondContact CA-OD1 3.48Å; K272-D274 PolarHBondContact O-N 2.88Å; K272-L275 HydrophobicContact CB-CB 4.41Å; K272-L275 HydrophobicContact CB-CD1 4.34Å; K272-L275 HydrophobicContact CD-CD1 4.27Å; K272-L275 PolarHBondContact O-N 3.32Å; K272-F276 WeakPolarHBondContact O-CB 3.37Å; K272-F276 PolarHBondContact O-N 2.71Å; K272-T325 PolarHBondContact N-O 3.08Å; K272-T325 VanDerWaalsContact N-O 3.1Å
273K98Very high96.4Very high59 Ų5941.5 Ų41.526%0.25720%0.197SC..Hα-helixtrans-59.3-33.1179.773.1177.8-173.7171.70112.3M229 N271 F276 E277 Y298 Q324 T325 C326M229-K273 HydrophobicContact SD-CB 4.24Å; N271-K273 VanDerWaalsContact C-N 3.26Å; N271-K273 PolarHBondContact O-N 3.48Å; K273-F276 PolarHBondContact O-N 3.46Å; K273-E277 WeakPolarHBondContact O-CB 3.46Å; K273-E277 PolarHBondContact O-N 2.71Å; K273-Y298 HydrophobicContact CB-CE2 4.24Å; K273-Q324 HydrophobicContact CD-CB 4.11Å; K273-T325 WeakPolarHBondContact CG-O 3.15Å; K273-T325 PolarHBondContact N-O 2.92Å; K273-C326 HydrophobicContact CG-CB 4.35Å
274D97.4Very high96.8Very high44 Ų4436.8 Ų36.824%0.23518%0.175CC..Hα-helixtrans-61.2-49176.258.6-41.9000111.5R178 K272 F276 E277 E278R178-D274 IonicContact NH2-OD2 3.31Å; K272-D274 VanDerWaalsContact C-OD1 3.26Å; K272-D274 WeakPolarHBondContact CA-OD1 3.48Å; K272-D274 PolarHBondContact O-N 2.88Å; D274-F276 VanDerWaalsContact C-N 3.34Å; D274-E277 PolarHBondContact O-N 2.81Å; D274-E278 PolarHBondContact O-N 2.7Å
275L97.7Very high97.1Very high46 Ų4636 Ų3624%0.24117%0.17CC..Hα-helixtrans-70.3-35.6178.2-59.8-179.4000111.5D152 K272 K279D152-L275 HydrophobicContact CB-CD1 3.59Å; K272-L275 HydrophobicContact CB-CB 4.41Å; K272-L275 HydrophobicContact CB-CD1 4.34Å; K272-L275 HydrophobicContact CD-CD1 4.27Å; K272-L275 PolarHBondContact O-N 3.32Å; L275-K279 WeakPolarHBondContact O-CB 3.21Å; L275-K279 PolarHBondContact O-N 3.28Å
276F98.3Very high97.4Very high0 Ų037.6 Ų37.60%018%0.179CC..Hα-helixtrans-64.2-45.1175.6176.8-107.8000112.1M229 Y232 K272 K273 D274 E278 K279 I280 L285 Y298 A301 A302 I305M229-F276 HydrophobicContact CB-CB 3.66Å; M229-F276 HydrophobicContact CB-CD1 4.32Å; M229-F276 HydrophobicContact CB-CD2 4.02Å; M229-F276 HydrophobicContact CB-CG 3.74Å; M229-F276 HydrophobicContact CE-CD1 3.57Å; M229-F276 HydrophobicContact CE-CE1 3.62Å; M229-F276 HydrophobicContact CE-CG 4.16Å; M229-F276 HydrophobicContact CE-CZ 4.24Å; M229-F276 WeakPolarHBondContact O-CD2 3.21Å; M229-F276 HydrophobicContact SD-CD1 4.36Å; Y232-F276 AromaticContact CD1-CD2 3.78Å; Y232-F276 HydrophobicContact CD1-CD2 3.78Å; Y232-F276 AromaticContact CD1-CE2 3.77Å; Y232-F276 HydrophobicContact CD1-CE2 3.77Å; Y232-F276 AromaticContact CE1-CD2 3.67Å; Y232-F276 HydrophobicContact CE1-CD2 3.67Å; Y232-F276 AromaticContact CE1-CE2 3.73Å; Y232-F276 HydrophobicContact CE1-CE2 3.73Å; K272-F276 WeakPolarHBondContact O-CB 3.37Å; K272-F276 PolarHBondContact O-N 2.71Å; K273-F276 PolarHBondContact O-N 3.46Å; D274-F276 VanDerWaalsContact C-N 3.34Å; F276-E278 VanDerWaalsContact C-N 3.28Å; F276-E278 PolarHBondContact O-N 3.06Å; F276-K279 PolarHBondContact O-N 2.91Å; F276-K279 VanDerWaalsContact O-N 3.16Å; F276-I280 HydrophobicContact CE2-CB 4.41Å; F276-I280 HydrophobicContact CE2-CD1 3.8Å; F276-I280 HydrophobicContact CE2-CG1 4.48Å; F276-I280 HydrophobicContact CZ-CB 4.39Å; F276-I280 HydrophobicContact CZ-CD1 3.78Å; F276-I280 HydrophobicContact CZ-CG1 4.21Å; F276-I280 WeakPolarHBondContact O-CB 3.38Å; F276-I280 WeakPolarHBondContact O-CG2 3.32Å; F276-I280 PolarHBondContact O-N 2.81Å; F276-L285 HydrophobicContact CE2-CD1 4.47Å; F276-Y298 AromaticContact CD1-CD2 3.6Å; F276-Y298 HydrophobicContact CD1-CD2 3.6Å; F276-Y298 AromaticContact CD1-CE2 3.75Å; F276-Y298 HydrophobicContact CD1-CE2 3.75Å; F276-Y298 AromaticContact CE1-CD2 3.91Å; F276-Y298 HydrophobicContact CE1-CD2 3.91Å; F276-Y298 HydrophobicContact CE1-CE2 4.29Å; F276-A301 HydrophobicContact CE1-CB 4.23Å; F276-A301 HydrophobicContact CZ-CB 3.65Å; F276-A302 HydrophobicContact CE1-CB 4.24Å; F276-I305 HydrophobicContact CD2-CD1 4.45Å; F276-I305 HydrophobicContact CE1-CD1 4.4Å; F276-I305 HydrophobicContact CE2-CD1 3.62Å; F276-I305 HydrophobicContact CZ-CD1 3.57Å
277E98Very high97.5Very high85 Ų8541.7 Ų41.740%0.39720%0.2SC..Hα-helixtrans-57.9-38.5178.3-175.8172.6-16400112.5K273 D274 I280 K281 Y298K273-E277 WeakPolarHBondContact O-CB 3.46Å; K273-E277 PolarHBondContact O-N 2.71Å; D274-E277 PolarHBondContact O-N 2.81Å; E277-I280 WeakPolarHBondContact O-CG2 3.46Å; E277-K281 VanDerWaalsContact O-CE 3.27Å; E277-K281 WeakPolarHBondContact O-CE 3.39Å; E277-Y298 HydrophobicContact CB-CD2 3.67Å; E277-Y298 HydrophobicContact CB-CE2 4.12Å; E277-Y298 HydrophobicContact CB-CG 4.38Å; E277-Y298 HydrophobicContact CG-CD2 4.06Å; E277-Y298 HydrophobicContact CG-CG 4.27Å
278E96Very high97.5Very high95 Ų9541.8 Ų41.844%0.44420%0.201SC..Hα-helixtrans-76.5-39.3174.8-68.2-51.1133.900113D274 F276 K281 R282D274-E278 PolarHBondContact O-N 2.7Å; F276-E278 VanDerWaalsContact C-N 3.28Å; F276-E278 PolarHBondContact O-N 3.06Å; E278-K281 IonicContact OE1-NZ 2.66Å; E278-K281 PolarHBondContact OE1-NZ 3.34Å; E278-K281 IonicContact OE2-NZ 2.8Å; E278-K281 PolarHBondContact OE2-NZ 3.4Å; E278-R282 PolarHBondContact O-NH1 3.01Å
279K96.6Very high97.5Very high14 Ų1442.4 Ų42.46%0.06120%0.203CC..Hα-helixtrans-72.8-37.7-174.5-172.2-177.5-95.4-159.30112.6S230 Y232 D233 L275 F276 K281 R282 S283S230-K279 VanDerWaalsContact O-CD 3.22Å; S230-K279 WeakPolarHBondContact O-CD 3.28Å; S230-K279 WeakPolarHBondContact O-CE 3.36Å; S230-K279 PolarHBondContact O-NZ 2.78Å; Y232-K279 HydrophobicContact CE1-CB 4.45Å; Y232-K279 HydrophobicContact CE1-CD 3.76Å; Y232-K279 HydrophobicContact CE1-CG 4.04Å; Y232-K279 PolarHBondContact OH-O 3.42Å; D233-K279 WeakPolarHBondContact OD1-CD 3.31Å; D233-K279 WeakPolarHBondContact OD1-CE 3.37Å; D233-K279 IonicContact OD1-NZ 2.69Å; D233-K279 PolarHBondContact OD1-NZ 3.5Å; D233-K279 WeakPolarHBondContact OD2-CD 3.38Å; D233-K279 IonicContact OD2-NZ 3.71Å; L275-K279 WeakPolarHBondContact O-CB 3.21Å; L275-K279 PolarHBondContact O-N 3.28Å; F276-K279 PolarHBondContact O-N 2.91Å; F276-K279 VanDerWaalsContact O-N 3.16Å; K279-K281 PolarHBondContact O-N 3.1Å; K279-K281 VanDerWaalsContact O-N 3.14Å; K279-R282 WeakPolarHBondContact O-CG 3.42Å; K279-R282 PolarHBondContact O-N 2.88Å; K279-S283 PolarHBondContact O-N 3.15Å
280I97.4Very high97.4Very high2 Ų247.4 Ų47.41%0.0124%0.236CC..Hα-helixtrans-58.2-31.2179.6-161.672.3000111.2Y232 F276 E277 R282 L285 Q296 A301Y232-I280 WeakPolarHBondContact OH-CA 3.48Å; Y232-I280 PolarHBondContact OH-N 2.98Å; F276-I280 HydrophobicContact CE2-CB 4.41Å; F276-I280 HydrophobicContact CE2-CD1 3.8Å; F276-I280 HydrophobicContact CE2-CG1 4.48Å; F276-I280 HydrophobicContact CZ-CB 4.39Å; F276-I280 HydrophobicContact CZ-CD1 3.78Å; F276-I280 HydrophobicContact CZ-CG1 4.21Å; F276-I280 WeakPolarHBondContact O-CB 3.38Å; F276-I280 WeakPolarHBondContact O-CG2 3.32Å; F276-I280 PolarHBondContact O-N 2.81Å; E277-I280 WeakPolarHBondContact O-CG2 3.46Å; I280-R282 PolarHBondContact O-N 3.47Å; I280-R282 VanDerWaalsContact O-N 3.12Å; I280-L285 HydrophobicContact CD1-CB 4.05Å; I280-L285 HydrophobicContact CD1-CD1 4.4Å; I280-Q296 HydrophobicContact CG1-CG 4.39Å; I280-Q296 VanDerWaalsContact CG1-NE2 3.26Å; I280-Q296 WeakPolarHBondContact O-CG 3.42Å; I280-Q296 PolarHBondContact O-NE2 2.96Å; I280-A301 HydrophobicContact CD1-CB 3.74Å; I280-A301 HydrophobicContact CG1-CB 4.03Å
281K96.1Very high97.3Very high133 Ų13355.5 Ų55.558%0.57827%0.274SS*.THydrogen-bonded Turntrans-62.1-21.8177.8-60.5169.8-169165.40114.2E277 E278 K279E277-K281 VanDerWaalsContact O-CE 3.27Å; E277-K281 WeakPolarHBondContact O-CE 3.39Å; E278-K281 IonicContact OE1-NZ 2.66Å; E278-K281 PolarHBondContact OE1-NZ 3.34Å; E278-K281 IonicContact OE2-NZ 2.8Å; E278-K281 PolarHBondContact OE2-NZ 3.4Å; K279-K281 PolarHBondContact O-N 3.1Å; K279-K281 VanDerWaalsContact O-N 3.14Å
282R94.9Very high97.3Very high154 Ų15456.2 Ų56.258%0.58128%0.276SS*.THydrogen-bonded Turntrans-125.4-18.1-172.562.5177.7-179.3-84.93.9115.6E278 K279 I280E278-R282 PolarHBondContact O-NH1 3.01Å; K279-R282 WeakPolarHBondContact O-CG 3.42Å; K279-R282 PolarHBondContact O-N 2.88Å; I280-R282 PolarHBondContact O-N 3.47Å; I280-R282 VanDerWaalsContact O-N 3.12Å
283S96.3Very high97.2Very high9 Ų960.7 Ų60.76%0.06331%0.308CS..SBendtrans-126.7115.6-175.9177.80000110.1Y232 D233 K279 I287 Q296Y232-S283 WeakPolarHBondContact CE2-O 3.17Å; Y232-S283 WeakPolarHBondContact OH-CB 3.37Å; Y232-S283 PolarHBondContact OH-O 3.24Å; D233-S283 VanDerWaalsContact CB-OG 3.23Å; D233-S283 WeakPolarHBondContact CB-OG 3.49Å; D233-S283 VanDerWaalsContact OD2-CB 3.24Å; D233-S283 WeakPolarHBondContact OD2-CB 3.39Å; D233-S283 PolarHBondContact OD2-OG 2.95Å; K279-S283 PolarHBondContact O-N 3.15Å; S283-I287 WeakPolarHBondContact OG-CD1 3.5Å; S283-Q296 PolarHBondContact O-NE2 3.16Å
284P97.1Very high97Very high60 Ų6059.2 Ų59.239%0.3931%0.309SS..  trans-66.4138.6-170.125.6-33.3000113.2T286 I287 Q296P284-T286 PolarHBondContact O-N 2.95Å; P284-T286 VanDerWaalsContact O-N 3.12Å; P284-I287 HydrophobicContact CG-CD1 4.08Å; P284-I287 HydrophobicContact CG-CG1 4.15Å; P284-I287 WeakPolarHBondContact O-CG1 3.48Å; P284-I287 PolarHBondContact O-N 3.08Å; P284-Q296 VanDerWaalsContact CA-NE2 3.3Å
285L98.2Very high96.9Very high0 Ų063.5 Ų63.50%033%0.325CS..G310 helixtrans-61.6-24.6178.6-17164.9000112.2Y232 F276 I280 I287 C288 F289 Y292 A301 Y304 I305Y232-L285 HydrophobicContact CD2-CD1 4Å; Y232-L285 HydrophobicContact CG-CD1 4.06Å; F276-L285 HydrophobicContact CE2-CD1 4.47Å; I280-L285 HydrophobicContact CD1-CB 4.05Å; I280-L285 HydrophobicContact CD1-CD1 4.4Å; L285-I287 PolarHBondContact O-N 3.38Å; L285-I287 VanDerWaalsContact O-N 3.08Å; L285-C288 PolarHBondContact O-N 3.19Å; L285-F289 HydrophobicContact CD1-CD2 3.81Å; L285-F289 HydrophobicContact CD1-CE2 4.14Å; L285-F289 HydrophobicContact CD2-CD2 4.28Å; L285-F289 HydrophobicContact CG-CD2 3.81Å; L285-F289 PolarHBondContact O-N 3.2Å; L285-Y292 HydrophobicContact CB-CD1 3.8Å; L285-Y292 HydrophobicContact CB-CE1 4.09Å; L285-Y292 HydrophobicContact CB-CG 4.36Å; L285-Y292 HydrophobicContact CD2-CD1 3.79Å; L285-Y292 HydrophobicContact CD2-CD2 3.73Å; L285-Y292 HydrophobicContact CD2-CE1 3.89Å; L285-Y292 HydrophobicContact CD2-CE2 3.85Å; L285-Y292 HydrophobicContact CD2-CG 3.69Å; L285-Y292 HydrophobicContact CG-CD1 4.26Å; L285-Y292 HydrophobicContact CG-CG 4.35Å; L285-A301 HydrophobicContact CD2-CB 3.8Å; L285-Y304 HydrophobicContact CD2-CD1 4.17Å; L285-I305 HydrophobicContact CD1-CD1 4.03Å; L285-I305 HydrophobicContact CD1-CG1 4.26Å
286T98Very high96.8Very high61 Ų6164.6 Ų64.637%0.37433%0.329SS..G310 helixtrans-61.7-14.3179.3530000114.5P284 C288 F289 P290P284-T286 PolarHBondContact O-N 2.95Å; P284-T286 VanDerWaalsContact O-N 3.12Å; T286-C288 VanDerWaalsContact C-N 3.3Å; T286-C288 PolarHBondContact O-N 3.07Å; T286-F289 WeakPolarHBondContact CA-O 3.27Å; T286-F289 CarbonylContact O-C 3.56Å; T286-P290 WeakPolarHBondContact O-CA 3.44Å
287I96.9Very high96.7Very high87 Ų8767 Ų6745%0.44634%0.344SS..G310 helixtrans-58.4-43.2169-68.2167.3000111D233 S283 P284 L285D233-I287 HydrophobicContact CB-CD1 4.05Å; D233-I287 HydrophobicContact CB-CG2 4.41Å; S283-I287 WeakPolarHBondContact OG-CD1 3.5Å; P284-I287 HydrophobicContact CG-CD1 4.08Å; P284-I287 HydrophobicContact CG-CG1 4.15Å; P284-I287 WeakPolarHBondContact O-CG1 3.48Å; P284-I287 PolarHBondContact O-N 3.08Å; L285-I287 PolarHBondContact O-N 3.38Å; L285-I287 VanDerWaalsContact O-N 3.08Å
288C97.8Very high96.7Very high4 Ų464.6 Ų64.63%0.02733%0.332CS..THydrogen-bonded Turntrans-91.8-36176.6178.90000112.3Y232 M245 Q246 L285 T286 P290Y232-C288 VanDerWaalsContact O-CB 3.32Å; Y232-C288 WeakPolarHBondContact O-CB 3.39Å; M245-C288 VanDerWaalsContact CB-SG 3.6Å; M245-C288 VanDerWaalsContact CG-SG 3.54Å; Q246-C288 PolarHBondContact NE2-O 3.27Å; Q246-C288 PolarHBondContact NE2-SG 3.33Å; Q246-C288 VanDerWaalsContact NE2-SG 3.4Å; L285-C288 PolarHBondContact O-N 3.19Å; T286-C288 VanDerWaalsContact C-N 3.3Å; T286-C288 PolarHBondContact O-N 3.07Å; C288-P290 WeakPolarHBondContact O-CD 3.14Å
289F98Very high96.8Very high13 Ų1365.4 Ų65.46%0.05734%0.336CS..  trans-125.279.2-172.3-60.1-80.2000110.7M245 L249 L285 T286 E291 Y292 Y304 I305M245-F289 HydrophobicContact CG-CE2 4Å; M245-F289 HydrophobicContact CG-CZ 3.91Å; L249-F289 HydrophobicContact CD1-CE1 3.66Å; L249-F289 HydrophobicContact CD1-CZ 3.84Å; L285-F289 HydrophobicContact CD1-CD2 3.81Å; L285-F289 HydrophobicContact CD1-CE2 4.14Å; L285-F289 HydrophobicContact CD2-CD2 4.28Å; L285-F289 HydrophobicContact CG-CD2 3.81Å; L285-F289 PolarHBondContact O-N 3.2Å; T286-F289 WeakPolarHBondContact CA-O 3.27Å; T286-F289 CarbonylContact O-C 3.56Å; F289-E291 PolarHBondContact O-N 3.36Å; F289-Y292 VanDerWaalsContact O-CB 3.23Å; F289-Y292 WeakPolarHBondContact O-CB 3.42Å; F289-Y292 PolarHBondContact O-N 2.91Å; F289-Y304 HydrophobicContact CB-CD1 4.48Å; F289-Y304 HydrophobicContact CB-CE1 3.71Å; F289-Y304 HydrophobicContact CD1-CD1 4.42Å; F289-Y304 AromaticContact CD1-CE1 3.64Å; F289-Y304 HydrophobicContact CD1-CE1 3.64Å; F289-Y304 HydrophobicContact CD2-CD1 4.48Å; F289-Y304 HydrophobicContact CD2-CE1 4.33Å; F289-Y304 HydrophobicContact CE1-CE1 4.28Å; F289-Y304 HydrophobicContact CG-CD1 4.23Å; F289-Y304 AromaticContact CG-CE1 3.65Å; F289-Y304 HydrophobicContact CG-CE1 3.65Å; F289-I305 HydrophobicContact CE2-CG1 4.04Å
290P97.5Very high96.8Very high106 Ų10668.2 Ų68.269%0.68835%0.349SS*.THydrogen-bonded Turntrans-55.4-26.1-174.2-28.135.8000114.7T286 C288T286-P290 WeakPolarHBondContact O-CA 3.44Å; C288-P290 WeakPolarHBondContact O-CD 3.14Å
291E96.3Very high96.9Very high170 Ų17068.1 Ų68.179%0.79435%0.348SS*.THydrogen-bonded Turntrans-89.84.5179.3-59.3-176.1-179.100113.9F289 P293F289-E291 PolarHBondContact O-N 3.36Å; E291-P293 WeakPolarHBondContact O-CD 3.43Å; E291-P293 VanDerWaalsContact O-N 3.16Å
292Y97.8Very high97Very high18 Ų1861.8 Ų61.87%0.07132%0.321CS..  trans-61.2115.2179.6175-119.8000110.9L285 F289 G294 K295 E300 A301 Y304L285-Y292 HydrophobicContact CB-CD1 3.8Å; L285-Y292 HydrophobicContact CB-CE1 4.09Å; L285-Y292 HydrophobicContact CB-CG 4.36Å; L285-Y292 HydrophobicContact CD2-CD1 3.79Å; L285-Y292 HydrophobicContact CD2-CD2 3.73Å; L285-Y292 HydrophobicContact CD2-CE1 3.89Å; L285-Y292 HydrophobicContact CD2-CE2 3.85Å; L285-Y292 HydrophobicContact CD2-CG 3.69Å; L285-Y292 HydrophobicContact CG-CD1 4.26Å; L285-Y292 HydrophobicContact CG-CG 4.35Å; F289-Y292 VanDerWaalsContact O-CB 3.23Å; F289-Y292 WeakPolarHBondContact O-CB 3.42Å; F289-Y292 PolarHBondContact O-N 2.91Å; Y292-G294 VanDerWaalsContact CE1-C 3.49Å; Y292-G294 WeakPolarHBondContact CE1-O 3.28Å; Y292-G294 VanDerWaalsContact CZ-CA 3.45Å; Y292-K295 WeakPolarHBondContact CE1-O 3.34Å; Y292-K295 PolarHBondContact OH-O 3.38Å; Y292-E300 VanDerWaalsContact OH-C 3.25Å; Y292-E300 VanDerWaalsContact OH-CB 3.25Å; Y292-E300 WeakPolarHBondContact OH-CB 3.36Å; Y292-A301 WeakPolarHBondContact OH-CA 3.32Å; Y292-A301 PolarHBondContact OH-N 3.37Å; Y292-A301 VanDerWaalsContact OH-N 3.14Å; Y292-Y304 AromaticContact CD2-CD1 3.8Å; Y292-Y304 HydrophobicContact CD2-CD1 3.8Å; Y292-Y304 AromaticContact CD2-CD2 3.55Å; Y292-Y304 HydrophobicContact CD2-CD2 3.55Å; Y292-Y304 HydrophobicContact CD2-CE1 4.22Å; Y292-Y304 AromaticContact CD2-CE2 3.97Å; Y292-Y304 HydrophobicContact CD2-CE2 3.97Å; Y292-Y304 AromaticContact CD2-CG 3.44Å; Y292-Y304 HydrophobicContact CD2-CG 3.44Å; Y292-Y304 VanDerWaalsContact CD2-CG 3.44Å; Y292-Y304 HydrophobicContact CE2-CD1 4.42Å; Y292-Y304 AromaticContact CE2-CD2 4Å; Y292-Y304 HydrophobicContact CE2-CD2 4Å; Y292-Y304 AromaticContact CE2-CG 3.76Å; Y292-Y304 HydrophobicContact CE2-CG 3.76Å
293P95.9Very high97.1Very high115 Ų11559.8 Ų59.875%0.74732%0.321SS*.  trans-93.5-9-174.637.3-34.6000113.1E291E291-P293 WeakPolarHBondContact O-CD 3.43Å; E291-P293 VanDerWaalsContact O-N 3.16Å
294G94.4Very high97.2Very high27 Ų2762.3 Ų62.328%0.27833%0.329SS..SBendtrans-81.8175.5-171.900000113.4Y292 E300Y292-G294 VanDerWaalsContact CE1-C 3.49Å; Y292-G294 WeakPolarHBondContact CE1-O 3.28Å; Y292-G294 VanDerWaalsContact CZ-CA 3.45Å; G294-E300 WeakPolarHBondContact CA-OE2 3.45Å
295K95.3Very high97.3Very high134 Ų13459.5 Ų59.558%0.58331%0.311SS*.  trans-73.8158.8175.9-63.7-179.9-170.6162.10111.3Y292 T297 E300Y292-K295 WeakPolarHBondContact CE1-O 3.34Å; Y292-K295 PolarHBondContact OH-O 3.38Å; K295-T297 HydrophobicContact CB-CG2 4.06Å; K295-T297 PolarHBondContact O-N 3.17Å; K295-E300 WeakPolarHBondContact CD-OE1 3.34Å; K295-E300 PolarHBondContact N-OE2 3.17Å
296Q94.8Very high97.3Very high70 Ų7062 Ų6233%0.32732%0.323SS..SBendtrans-78.955.2173.7-163.763.72500111.3I280 S283 P284I280-Q296 HydrophobicContact CG1-CG 4.39Å; I280-Q296 VanDerWaalsContact CG1-NE2 3.26Å; I280-Q296 WeakPolarHBondContact O-CG 3.42Å; I280-Q296 PolarHBondContact O-NE2 2.96Å; S283-Q296 PolarHBondContact O-NE2 3.16Å; P284-Q296 VanDerWaalsContact CA-NE2 3.3Å
297T97.1Very high97.3Very high51 Ų5161.4 Ų61.431%0.31332%0.323SS..SBendtrans-117.2156177.262.40000110.2K295 E299 A301K295-T297 HydrophobicContact CB-CG2 4.06Å; K295-T297 PolarHBondContact O-N 3.17Å; T297-E299 VanDerWaalsContact C-N 3.33Å; T297-E299 PolarHBondContact O-N 3.1Å; T297-A301 WeakPolarHBondContact O-CB 3.12Å; T297-A301 PolarHBondContact O-N 3.49Å; T297-A301 VanDerWaalsContact O-N 3.17Å
298Y98Very high97.4Very high33 Ų3358.2 Ų58.213%0.12931%0.309CS..Hα-helixtrans-56.8-47.6179.3171.2-96.9000111.6K273 F276 E277 A302 Q324K273-Y298 HydrophobicContact CB-CE2 4.24Å; F276-Y298 AromaticContact CD1-CD2 3.6Å; F276-Y298 HydrophobicContact CD1-CD2 3.6Å; F276-Y298 AromaticContact CD1-CE2 3.75Å; F276-Y298 HydrophobicContact CD1-CE2 3.75Å; F276-Y298 AromaticContact CE1-CD2 3.91Å; F276-Y298 HydrophobicContact CE1-CD2 3.91Å; F276-Y298 HydrophobicContact CE1-CE2 4.29Å; E277-Y298 HydrophobicContact CB-CD2 3.67Å; E277-Y298 HydrophobicContact CB-CE2 4.12Å; E277-Y298 HydrophobicContact CB-CG 4.38Å; E277-Y298 HydrophobicContact CG-CD2 4.06Å; E277-Y298 HydrophobicContact CG-CG 4.27Å; Y298-A302 WeakPolarHBondContact O-CB 3.15Å; Y298-A302 PolarHBondContact O-N 3.45Å; Y298-Q324 PolarHBondContact OH-OE1 3.17Å
299E97.6Very high97.4Very high113 Ų11358 Ų5853%0.52831%0.308SS..Hα-helixtrans-66.3-51.2-171.2-6073.7-161.700111.8T297 I303T297-E299 VanDerWaalsContact C-N 3.33Å; T297-E299 PolarHBondContact O-N 3.1Å; E299-I303 WeakPolarHBondContact O-CD1 3.3Å; E299-I303 VanDerWaalsContact O-CG1 3.23Å; E299-I303 WeakPolarHBondContact O-CG1 3.42Å; E299-I303 PolarHBondContact O-N 3.36Å; E299-I303 VanDerWaalsContact O-N 3.1Å
300E98Very high97.4Very high73 Ų7360.8 Ų60.834%0.34132%0.321SS..Hα-helixtrans-66.4-40.7-178.8-68-171.6-144.700111Y292 G294 K295 Y304Y292-E300 VanDerWaalsContact OH-C 3.25Å; Y292-E300 VanDerWaalsContact OH-CB 3.25Å; Y292-E300 WeakPolarHBondContact OH-CB 3.36Å; G294-E300 WeakPolarHBondContact CA-OE2 3.45Å; K295-E300 WeakPolarHBondContact CD-OE1 3.34Å; K295-E300 PolarHBondContact N-OE2 3.17Å; E300-Y304 PolarHBondContact O-N 2.86Å; E300-Y304 VanDerWaalsContact O-N 3.07Å
301A98.3Very high97.4Very high0 Ų059.7 Ų59.70%032%0.32CS..Hα-helixtrans-70-40.1-179.500000112F276 I280 L285 Y292 T297 Y304 I305F276-A301 HydrophobicContact CE1-CB 4.23Å; F276-A301 HydrophobicContact CZ-CB 3.65Å; I280-A301 HydrophobicContact CD1-CB 3.74Å; I280-A301 HydrophobicContact CG1-CB 4.03Å; L285-A301 HydrophobicContact CD2-CB 3.8Å; Y292-A301 WeakPolarHBondContact OH-CA 3.32Å; Y292-A301 PolarHBondContact OH-N 3.37Å; Y292-A301 VanDerWaalsContact OH-N 3.14Å; T297-A301 WeakPolarHBondContact O-CB 3.12Å; T297-A301 PolarHBondContact O-N 3.49Å; T297-A301 VanDerWaalsContact O-N 3.17Å; A301-Y304 PolarHBondContact O-N 3.32Å; A301-I305 WeakPolarHBondContact O-CG1 3.14Å; A301-I305 PolarHBondContact O-N 3.16Å
302A98.4Very high97.4Very high0 Ų055.1 Ų55.10%030%0.298CS..Hα-helixtrans-64.4-42.117700000112M229 F276 Y298 Y304 I305 Q306M229-A302 HydrophobicContact CE-CB 3.62Å; F276-A302 HydrophobicContact CE1-CB 4.24Å; Y298-A302 WeakPolarHBondContact O-CB 3.15Å; Y298-A302 PolarHBondContact O-N 3.45Å; A302-Y304 VanDerWaalsContact C-N 3.32Å; A302-Y304 PolarHBondContact O-N 3.47Å; A302-I305 PolarHBondContact O-N 2.77Å; A302-Q306 WeakPolarHBondContact O-CB 3.23Å; A302-Q306 PolarHBondContact O-N 2.94Å
303I98Very high97.4Very high112 Ų11255.9 Ų55.957%0.57430%0.303SS*.Hα-helixtrans-60.7-44174.6-70.7165.9000110.3E299 Q306 A307E299-I303 WeakPolarHBondContact O-CD1 3.3Å; E299-I303 VanDerWaalsContact O-CG1 3.23Å; E299-I303 WeakPolarHBondContact O-CG1 3.42Å; E299-I303 PolarHBondContact O-N 3.36Å; E299-I303 VanDerWaalsContact O-N 3.1Å; I303-Q306 PolarHBondContact O-N 2.94Å; I303-A307 WeakPolarHBondContact O-CB 3.39Å; I303-A307 PolarHBondContact O-N 3.36Å
304Y98.5Very high97.3Very high62 Ų6258.7 Ų58.724%0.24330%0.299CS..Hα-helixtrans-65.5-41.7179.3-171.9-87.3000112.7L285 F289 Y292 E300 A301 A302 A307 S308L285-Y304 HydrophobicContact CD2-CD1 4.17Å; F289-Y304 HydrophobicContact CB-CD1 4.48Å; F289-Y304 HydrophobicContact CB-CE1 3.71Å; F289-Y304 HydrophobicContact CD1-CD1 4.42Å; F289-Y304 AromaticContact CD1-CE1 3.64Å; F289-Y304 HydrophobicContact CD1-CE1 3.64Å; F289-Y304 HydrophobicContact CD2-CD1 4.48Å; F289-Y304 HydrophobicContact CD2-CE1 4.33Å; F289-Y304 HydrophobicContact CE1-CE1 4.28Å; F289-Y304 HydrophobicContact CG-CD1 4.23Å; F289-Y304 AromaticContact CG-CE1 3.65Å; F289-Y304 HydrophobicContact CG-CE1 3.65Å; Y292-Y304 AromaticContact CD2-CD1 3.8Å; Y292-Y304 HydrophobicContact CD2-CD1 3.8Å; Y292-Y304 AromaticContact CD2-CD2 3.55Å; Y292-Y304 HydrophobicContact CD2-CD2 3.55Å; Y292-Y304 HydrophobicContact CD2-CE1 4.22Å; Y292-Y304 AromaticContact CD2-CE2 3.97Å; Y292-Y304 HydrophobicContact CD2-CE2 3.97Å; Y292-Y304 AromaticContact CD2-CG 3.44Å; Y292-Y304 HydrophobicContact CD2-CG 3.44Å; Y292-Y304 VanDerWaalsContact CD2-CG 3.44Å; Y292-Y304 HydrophobicContact CE2-CD1 4.42Å; Y292-Y304 AromaticContact CE2-CD2 4Å; Y292-Y304 HydrophobicContact CE2-CD2 4Å; Y292-Y304 AromaticContact CE2-CG 3.76Å; Y292-Y304 HydrophobicContact CE2-CG 3.76Å; E300-Y304 PolarHBondContact O-N 2.86Å; E300-Y304 VanDerWaalsContact O-N 3.07Å; A301-Y304 PolarHBondContact O-N 3.32Å; A302-Y304 VanDerWaalsContact C-N 3.32Å; A302-Y304 PolarHBondContact O-N 3.47Å; Y304-A307 PolarHBondContact O-N 2.88Å; Y304-S308 WeakPolarHBondContact O-CB 3.27Å; Y304-S308 PolarHBondContact O-N 3.44Å; Y304-S308 PolarHBondContact O-OG 3.05Å
305I98.6Very high97.3Very high0 Ų059.3 Ų59.30%030%0.299CS..Hα-helixtrans-59.6-49.9173.5-70.3168.6000109.7M229 M245 L270 F276 L285 F289 A301 A302 A307 S308 F309M229-I305 HydrophobicContact CE-CD1 4.13Å; M245-I305 HydrophobicContact CE-CD1 4.37Å; M245-I305 HydrophobicContact CE-CG2 4.31Å; M245-I305 HydrophobicContact SD-CG2 4.49Å; L270-I305 HydrophobicContact CD2-CG2 4.21Å; F276-I305 HydrophobicContact CD2-CD1 4.45Å; F276-I305 HydrophobicContact CE1-CD1 4.4Å; F276-I305 HydrophobicContact CE2-CD1 3.62Å; F276-I305 HydrophobicContact CZ-CD1 3.57Å; L285-I305 HydrophobicContact CD1-CD1 4.03Å; L285-I305 HydrophobicContact CD1-CG1 4.26Å; F289-I305 HydrophobicContact CE2-CG1 4.04Å; A301-I305 WeakPolarHBondContact O-CG1 3.14Å; A301-I305 PolarHBondContact O-N 3.16Å; A302-I305 PolarHBondContact O-N 2.77Å; I305-A307 PolarHBondContact O-N 3.36Å; I305-S308 WeakPolarHBondContact O-CB 3.39Å; I305-S308 PolarHBondContact O-N 2.8Å; I305-S308 VanDerWaalsContact O-N 3.12Å; I305-F309 HydrophobicContact CG2-CD2 4.07Å; I305-F309 HydrophobicContact CG2-CE2 4.01Å; I305-F309 WeakPolarHBondContact O-CD2 3.49Å; I305-F309 PolarHBondContact O-N 3.44Å; I305-F309 VanDerWaalsContact O-N 3.17Å
306Q98.4Very high96.9Very high54 Ų5458.7 Ų58.725%0.25231%0.309SS..Hα-helixtrans-54.4-53.2177.9177.9171.8-24.400111.8L270 A302 I303 S308 F309 E310 C322L270-Q306 HydrophobicContact CD1-CB 3.76Å; L270-Q306 HydrophobicContact CD1-CG 4.35Å; A302-Q306 WeakPolarHBondContact O-CB 3.23Å; A302-Q306 PolarHBondContact O-N 2.94Å; I303-Q306 PolarHBondContact O-N 2.94Å; Q306-S308 PolarHBondContact O-N 3.13Å; Q306-F309 PolarHBondContact O-N 2.91Å; Q306-F309 VanDerWaalsContact O-N 3.08Å; Q306-E310 HydrophobicContact CG-CG 4.33Å; Q306-E310 VanDerWaalsContact CG-OE1 3.28Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.35Å; Q306-E310 PolarHBondContact NE2-OE1 3.42Å; Q306-E310 PolarHBondContact O-N 3.03Å; Q306-C322 HydrophobicContact CG-CB 4.13Å
307A97.9Very high96.6Very high47 Ų4762.5 Ų62.539%0.38833%0.331SS..Hα-helixtrans-58.8-35.5179.200000112I303 Y304 I305 F309 E310 A311I303-A307 WeakPolarHBondContact O-CB 3.39Å; I303-A307 PolarHBondContact O-N 3.36Å; Y304-A307 PolarHBondContact O-N 2.88Å; I305-A307 PolarHBondContact O-N 3.36Å; A307-F309 VanDerWaalsContact C-N 3.34Å; A307-F309 PolarHBondContact O-N 3Å; A307-E310 PolarHBondContact O-N 3.14Å; A307-A311 WeakPolarHBondContact O-CB 3.26Å; A307-A311 PolarHBondContact O-N 2.77Å
308S98.3Very high96.2Very high21 Ų2161.1 Ų61.115%0.14732%0.321CS..Hα-helixtrans-65.3-35.1177.7-62.30000113.1L249 Y304 I305 Q306L249-S308 WeakPolarHBondContact CD2-O 3.44Å; Y304-S308 WeakPolarHBondContact O-CB 3.27Å; Y304-S308 PolarHBondContact O-N 3.44Å; Y304-S308 PolarHBondContact O-OG 3.05Å; I305-S308 WeakPolarHBondContact O-CB 3.39Å; I305-S308 PolarHBondContact O-N 2.8Å; I305-S308 VanDerWaalsContact O-N 3.12Å; Q306-S308 PolarHBondContact O-N 3.13Å
309F98.5Very high95.8Very high0 Ų065.5 Ų65.50%034%0.342CS..Hα-helixtrans-76-47.9173.3-82.5-89.7000111.3F225 V227 M245 L249 F252 L268 L270 I305 Q306 A307 A311 K312F225-F309 HydrophobicContact CE1-CE1 4.3Å; V227-F309 HydrophobicContact CB-CE2 4.49Å; V227-F309 HydrophobicContact CB-CZ 4.16Å; V227-F309 HydrophobicContact CG1-CE1 4.32Å; V227-F309 HydrophobicContact CG1-CE2 3.67Å; V227-F309 HydrophobicContact CG1-CZ 3.49Å; V227-F309 VanDerWaalsContact CG1-CZ 3.49Å; V227-F309 HydrophobicContact CG2-CD1 4Å; V227-F309 HydrophobicContact CG2-CE1 3.45Å; V227-F309 VanDerWaalsContact CG2-CE1 3.45Å; V227-F309 HydrophobicContact CG2-CE2 4.07Å; V227-F309 HydrophobicContact CG2-CZ 3.51Å; M245-F309 HydrophobicContact SD-CE2 3.55Å; M245-F309 VanDerWaalsContact SD-CE2 3.55Å; M245-F309 HydrophobicContact SD-CZ 3.75Å; L249-F309 HydrophobicContact CD2-CB 4.47Å; L249-F309 HydrophobicContact CD2-CD1 3.86Å; L249-F309 HydrophobicContact CD2-CD2 3.73Å; L249-F309 HydrophobicContact CD2-CE1 3.87Å; L249-F309 HydrophobicContact CD2-CE2 3.74Å; L249-F309 HydrophobicContact CD2-CG 3.77Å; L249-F309 HydrophobicContact CD2-CZ 3.8Å; L249-F309 HydrophobicContact CG-CE1 4.16Å; L249-F309 HydrophobicContact CG-CE2 4.01Å; L249-F309 HydrophobicContact CG-CZ 3.81Å; F252-F309 HydrophobicContact CB-CD1 3.7Å; F252-F309 HydrophobicContact CB-CE1 3.81Å; F252-F309 HydrophobicContact CD1-CB 4.24Å; F252-F309 AromaticContact CD1-CD1 3.69Å; F252-F309 HydrophobicContact CD1-CD1 3.69Å; F252-F309 HydrophobicContact CD1-CG 4.45Å; F252-F309 HydrophobicContact CD2-CD1 4.3Å; F252-F309 HydrophobicContact CE1-CB 4.26Å; F252-F309 HydrophobicContact CE1-CD1 4.4Å; F252-F309 WeakPolarHBondContact CE1-O 3.45Å; F252-F309 AromaticContact CG-CD1 3.63Å; F252-F309 HydrophobicContact CG-CD1 3.63Å; F252-F309 HydrophobicContact CG-CE1 4.22Å; L268-F309 HydrophobicContact CD1-CB 4.46Å; L268-F309 HydrophobicContact CD1-CD1 4.14Å; L268-F309 HydrophobicContact CD1-CG 4.33Å; L268-F309 HydrophobicContact CD2-CB 3.55Å; L268-F309 HydrophobicContact CD2-CG 4.13Å; L270-F309 HydrophobicContact CD2-CD2 4.43Å; I305-F309 HydrophobicContact CG2-CD2 4.07Å; I305-F309 HydrophobicContact CG2-CE2 4.01Å; I305-F309 WeakPolarHBondContact O-CD2 3.49Å; I305-F309 PolarHBondContact O-N 3.44Å; I305-F309 VanDerWaalsContact O-N 3.17Å; Q306-F309 PolarHBondContact O-N 2.91Å; Q306-F309 VanDerWaalsContact O-N 3.08Å; A307-F309 VanDerWaalsContact C-N 3.34Å; A307-F309 PolarHBondContact O-N 3Å; F309-A311 PolarHBondContact O-N 3.12Å; F309-K312 VanDerWaalsContact O-CB 3.28Å; F309-K312 WeakPolarHBondContact O-CB 3.5Å; F309-K312 PolarHBondContact O-N 3.24Å
310E97.4Very high95.7Very high71 Ų7161.3 Ų61.333%0.33232%0.324SS..Hα-helixtrans-57.4-38.6179.1-72174.3178.100112Q306 A307 K312 N313Q306-E310 HydrophobicContact CG-CG 4.33Å; Q306-E310 VanDerWaalsContact CG-OE1 3.28Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.35Å; Q306-E310 PolarHBondContact NE2-OE1 3.42Å; Q306-E310 PolarHBondContact O-N 3.03Å; A307-E310 PolarHBondContact O-N 3.14Å; E310-K312 PolarHBondContact O-N 3.01Å; E310-K312 VanDerWaalsContact O-N 3.07Å; E310-N313 WeakPolarHBondContact O-CB 3.45Å; E310-N313 PolarHBondContact O-N 3.27Å
311A97Very high95.5Very high82 Ų8260.5 Ų60.568%0.67832%0.318SS*.THydrogen-bonded Turntrans-62.8-12.9175.700000114.5A307 F309 N313A307-A311 WeakPolarHBondContact O-CB 3.26Å; A307-A311 PolarHBondContact O-N 2.77Å; F309-A311 PolarHBondContact O-N 3.12Å; A311-N313 VanDerWaalsContact C-N 3.34Å
312K97.7Very high95.5Very high74 Ų7461.8 Ų61.832%0.32233%0.327SS..THydrogen-bonded Turntrans-78.3-18.4172.9-58.3-53.8-176.8-176.40112.9L249 F252 D253 N257 F309 E310 R314L249-K312 HydrophobicContact CD2-CG 4.34Å; F252-K312 HydrophobicContact CD1-CB 3.89Å; F252-K312 HydrophobicContact CD1-CG 4.26Å; F252-K312 HydrophobicContact CE1-CB 4.3Å; D253-K312 HydrophobicContact CB-CB 4.06Å; D253-K312 HydrophobicContact CB-CD 4.15Å; D253-K312 HydrophobicContact CB-CG 4.17Å; N257-K312 PolarHBondContact ND2-O 2.85Å; F309-K312 VanDerWaalsContact O-CB 3.28Å; F309-K312 WeakPolarHBondContact O-CB 3.5Å; F309-K312 PolarHBondContact O-N 3.24Å; E310-K312 PolarHBondContact O-N 3.01Å; E310-K312 VanDerWaalsContact O-N 3.07Å; K312-R314 PolarHBondContact O-N 2.83Å
313N96.7Very high95.5Very high35 Ų3563.7 Ų63.719%0.18734%0.335CS..  trans-73.3119.1176.7-177.615.6000110.8E310 A311 S315 K318 I320E310-N313 WeakPolarHBondContact O-CB 3.45Å; E310-N313 PolarHBondContact O-N 3.27Å; A311-N313 VanDerWaalsContact C-N 3.34Å; N313-S315 PolarHBondContact ND2-O 3.18Å; N313-S315 PolarHBondContact OD1-N 3.37Å; N313-S315 PolarHBondContact OD1-O 2.67Å; N313-K318 PolarHBondContact ND2-O 3.33Å; N313-I320 HydrophobicContact CB-CD1 3.59Å; N313-I320 HydrophobicContact CB-CG1 4.49Å
314R95.4Very high95.4Very high174 Ų17461.2 Ų61.266%0.65732%0.321SS*.  trans-97.8-7.5-179-53.9173.5-160.9-1751.5112.5D253 N257 K312D253-R314 IonicContact OD1-CZ 2.74Å; D253-R314 IonicContact OD1-NE 3.48Å; D253-R314 PolarHBondContact OD1-NE 3.05Å; D253-R314 IonicContact OD1-NH2 3.75Å; D253-R314 PolarHBondContact OD1-NH2 3.18Å; D253-R314 IonicContact OD2-NH2 2.8Å; D253-R314 PolarHBondContact OD2-NH2 3.3Å; N257-R314 PolarHBondContact ND2-NE 3.5Å; N257-R314 WeakPolarHBondContact OD1-CB 3.47Å; N257-R314 WeakPolarHBondContact OD1-CG 3.32Å; N257-R314 PolarHBondContact OD1-N 3.16Å; K312-R314 PolarHBondContact O-N 2.83Å
315S92.8Very high95.4Very high39 Ų3958.2 Ų58.227%0.27331%0.31SS..  trans-90.4123.2-179.7178.10000110.3N313 N317 K318N313-S315 PolarHBondContact ND2-O 3.18Å; N313-S315 PolarHBondContact OD1-N 3.37Å; N313-S315 PolarHBondContact OD1-O 2.67Å; S315-N317 PolarHBondContact O-N 3.14Å; S315-N317 PolarHBondContact OG-N 3.28Å; S315-K318 PolarHBondContact O-N 3.43Å; S315-K318 PolarHBondContact OG-N 2.93Å
316P87.5Confident95.4Very high122 Ų12258.7 Ų58.779%0.79231%0.313SS*.THydrogen-bonded Turntrans-69.7-17.7176.230-35.4000113
317N87.7Confident95.4Very high149 Ų14956.3 Ų56.380%0.79730%0.302SS*.THydrogen-bonded Turntrans-99.7-5.9-176-61.4-23.2000112.9S315S315-N317 PolarHBondContact O-N 3.14Å; S315-N317 PolarHBondContact OG-N 3.28Å
318K90.4Very high95.3Very high22 Ų2255 Ų5510%0.09629%0.29CS..  trans-97.4121.5-179-177.6173.7-70.1-173.20109.2C256 F261 T262 I266 N313 S315C256-K318 PolarHBondContact O-NZ 3.44Å; F261-K318 WeakPolarHBondContact O-CE 3.25Å; F261-K318 PolarHBondContact O-NZ 3.2Å; T262-K318 VanDerWaalsContact O-CE 3.23Å; T262-K318 WeakPolarHBondContact O-CE 3.31Å; I266-K318 HydrophobicContact CD1-CD 3.93Å; I266-K318 HydrophobicContact CG1-CD 4.35Å; N313-K318 PolarHBondContact ND2-O 3.33Å; S315-K318 PolarHBondContact O-N 3.43Å; S315-K318 PolarHBondContact OG-N 2.93Å
319E89Confident95.3Very high125 Ų12557.1 Ų57.158%0.58430%0.299SS*.  trans-91.4141.2171.9-66.9-178.8179.200110.2Y321E319-Y321 HydrophobicContact CB-CE2 4.2Å; E319-Y321 PolarHBondContact OE2-OH 2.66Å
320I94.8Very high95.3Very high26 Ų2659.2 Ų59.213%0.13331%0.312CS..EExtended strand (participates in β ladder)trans-108.6118.3170.3-65.3167.2000107.7F252 I266 L268 N313F252-I320 HydrophobicContact CE1-CD1 3.79Å; F252-I320 HydrophobicContact CZ-CD1 3.59Å; F252-I320 HydrophobicContact CZ-CG1 4.26Å; F252-I320 HydrophobicContact CZ-CG2 4.43Å; I266-I320 WeakPolarHBondContact O-CA 3.44Å; L268-I320 HydrophobicContact CB-CG2 3.64Å; L268-I320 HydrophobicContact CD2-CG2 4.33Å; N313-I320 HydrophobicContact CB-CD1 3.59Å; N313-I320 HydrophobicContact CB-CG1 4.49Å
321Y95.2Very high95.3Very high55 Ų5561.6 Ų61.622%0.21633%0.327CS..EExtended strand (participates in β ladder)trans-91108.2176.1-58.9-79.1000109.7I266 I267 L268 E319 V343I266-Y321 PolarHBondContact O-N 3.26Å; I267-Y321 CarbonylContact C-O 3.43Å; I267-Y321 VanDerWaalsContact CA-O 3.31Å; I267-Y321 WeakPolarHBondContact CA-O 3.39Å; L268-Y321 PolarHBondContact N-O 2.6Å; E319-Y321 HydrophobicContact CB-CE2 4.2Å; E319-Y321 PolarHBondContact OE2-OH 2.66Å; Y321-V343 HydrophobicContact CD1-CG1 4.29Å; Y321-V343 HydrophobicContact CD1-CG2 4.3Å; Y321-V343 HydrophobicContact CD2-CG1 3.84Å; Y321-V343 HydrophobicContact CE1-CG1 4.02Å; Y321-V343 HydrophobicContact CE1-CG2 4.39Å; Y321-V343 HydrophobicContact CE2-CG1 3.51Å; Y321-V343 HydrophobicContact CG-CG1 4.21Å
322C97.3Very high95.3Very high28 Ų2858.7 Ų58.719%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-93.8133.1-176.6-172.20000112.3L268 L270 Q306L268-C322 HydrophobicContact CB-CB 4.48Å; L268-C322 CarbonylContact O-C 3.57Å; L268-C322 WeakPolarHBondContact O-CA 3.46Å; L270-C322 WeakPolarHBondContact CD1-SG 3.44Å; Q306-C322 HydrophobicContact CG-CB 4.13Å
323H97.7Very high95.3Very high39 Ų3955.3 Ų55.318%0.18129%0.285CS..EExtended strand (participates in β ladder)trans-133.5130.4172.3-64.3-85.9000111.2L268 F269 L270 T325 V336L268-H323 PolarHBondContact O-N 3.42Å; F269-H323 WeakPolarHBondContact CA-O 3.34Å; F269-H323 HydrophobicContact CD1-CB 4.18Å; F269-H323 HydrophobicContact CE1-CB 4.28Å; L270-H323 PolarHBondContact N-O 2.93Å; H323-T325 HydrophobicContact CB-CG2 4.37Å; H323-V336 HydrophobicContact CB-CG1 3.59Å; H323-V336 HydrophobicContact CB-CG2 4.19Å
324Q97.7Very high95.3Very high60 Ų6058.2 Ų58.228%0.2830%0.298SS..EExtended strand (participates in β ladder)trans-80.6124.2169-66.1175.70.900109.8L270 K273 Y298L270-Q324 HydrophobicContact CB-CG 4.31Å; L270-Q324 CarbonylContact O-C 3.48Å; L270-Q324 WeakPolarHBondContact O-CA 3.26Å; K273-Q324 HydrophobicContact CD-CB 4.11Å; Y298-Q324 PolarHBondContact OH-OE1 3.17Å
325T98.3Very high95.3Very high0 Ų057 Ų570%030%0.298CS..  trans-125.9152-171.351.80000112.9F269 L270 N271 K272 K273 H323 N332 I333 V336F269-T325 HydrophobicContact CB-CG2 4.43Å; F269-T325 HydrophobicContact CD1-CG2 4.22Å; F269-T325 HydrophobicContact CD2-CG2 3.96Å; F269-T325 HydrophobicContact CE1-CG2 4.49Å; F269-T325 HydrophobicContact CE2-CG2 4.27Å; F269-T325 HydrophobicContact CG-CG2 3.96Å; L270-T325 PolarHBondContact O-N 3.26Å; N271-T325 CarbonylContact C-O 3.57Å; N271-T325 VanDerWaalsContact CA-O 3.3Å; N271-T325 WeakPolarHBondContact CA-O 3.32Å; N271-T325 WeakPolarHBondContact CA-OG1 3.24Å; N271-T325 VanDerWaalsContact CB-OG1 3.3Å; N271-T325 WeakPolarHBondContact CB-OG1 3.43Å; N271-T325 PolarHBondContact OD1-O 3.21Å; N271-T325 PolarHBondContact OD1-OG1 2.77Å; K272-T325 PolarHBondContact N-O 3.08Å; K272-T325 VanDerWaalsContact N-O 3.1Å; K273-T325 WeakPolarHBondContact CG-O 3.15Å; K273-T325 PolarHBondContact N-O 2.92Å; H323-T325 HydrophobicContact CB-CG2 4.37Å; T325-N332 WeakPolarHBondContact CA-OD1 3.29Å; T325-I333 HydrophobicContact CG2-CD1 4.14Å; T325-V336 HydrophobicContact CG2-CB 4.26Å; T325-V336 HydrophobicContact CG2-CG1 3.89Å; T325-V336 HydrophobicContact CG2-CG2 4.05Å
326C98.1Very high95.4Very high10 Ų1055.3 Ų55.37%0.06829%0.286CS..  trans-124.2100.1160.7176.20000106.4K273 T328 D329 N332K273-C326 HydrophobicContact CG-CB 4.35Å; C326-T328 PolarHBondContact O-N 3.28Å; C326-T328 PolarHBondContact SG-OG1 3.39Å; C326-D329 HydrophobicContact CB-CB 3.95Å; C326-D329 WeakPolarHBondContact O-CB 3.37Å; C326-D329 PolarHBondContact O-N 2.58Å; C326-N332 PolarHBondContact N-OD1 3.43Å
327A97.5Very high95.8Very high4 Ų449.6 Ų49.63%0.03325%0.248CC..THydrogen-bonded Turntrans-60.3-18.7-17500000114T48 I49 Q52 N271T48-A327 HydrophobicContact CG2-CB 3.65Å; T48-A327 WeakPolarHBondContact CG2-O 3.35Å; I49-A327 HydrophobicContact CG1-CB 4.23Å; Q52-A327 WeakPolarHBondContact CG-O 3.38Å; Q52-A327 PolarHBondContact NE2-O 3.34Å; N271-A327 PolarHBondContact OD1-N 2.85Å
328T97Very high96.1Very high20 Ų2045.2 Ų45.212%0.12323%0.225CC..THydrogen-bonded Turntrans-92.82.9176.155.60000113.4T48 Q174 L177 R178 C326T48-T328 HydrophobicContact CG2-CG2 4.06Å; Q174-T328 PolarHBondContact OE1-O 2.92Å; L177-T328 HydrophobicContact CB-CG2 4.33Å; R178-T328 HydrophobicContact CG-CG2 4.43Å; R178-T328 VanDerWaalsContact CZ-OG1 3.24Å; R178-T328 PolarHBondContact NH2-OG1 3.41Å; C326-T328 PolarHBondContact O-N 3.28Å; C326-T328 PolarHBondContact SG-OG1 3.39Å
329D97.9Very high96.3Very high65 Ų6545.5 Ų45.535%0.34823%0.232SC..  trans-106.1105.4171.6176.7-10.2000108.7C326 N331 N332 I333C326-D329 HydrophobicContact CB-CB 3.95Å; C326-D329 WeakPolarHBondContact O-CB 3.37Å; C326-D329 PolarHBondContact O-N 2.58Å; D329-N331 VanDerWaalsContact C-N 3.3Å; D329-N331 PolarHBondContact O-N 3.39Å; D329-N331 WeakPolarHBondContact OD1-CB 3.47Å; D329-N331 PolarHBondContact OD1-N 3.16Å; D329-N332 HydrophobicContact CB-CB 3.87Å; D329-N332 PolarHBondContact O-N 3.09Å; D329-N332 PolarHBondContact OD1-N 3.43Å; D329-N332 VanDerWaalsContact OD1-N 3.1Å; D329-I333 PolarHBondContact O-N 2.87Å
330T97.5Very high96.5Very high43 Ų4339.6 Ų39.626%0.26420%0.204SC..Hα-helixtrans-61.1-37.5-177-51.70000112.3Q52 I55 I56 I333 Q334Q52-T330 PolarHBondContact NE2-OG1 2.81Å; Q52-T330 PolarHBondContact OE1-OG1 2.98Å; I55-T330 HydrophobicContact CG2-CG2 4.08Å; I56-T330 HydrophobicContact CD1-CG2 4.17Å; I56-T330 HydrophobicContact CG1-CG2 3.73Å; T330-I333 PolarHBondContact O-N 2.94Å; T330-Q334 VanDerWaalsContact O-CB 3.3Å; T330-Q334 WeakPolarHBondContact O-CB 3.34Å; T330-Q334 PolarHBondContact O-N 2.85Å
331N97.3Very high96.4Very high122 Ų12238.4 Ų38.465%0.65220%0.198SC*.Hα-helixtrans-68.6-42.3179.2-67.5-37.3000110.8D329 Q334 F335D329-N331 VanDerWaalsContact C-N 3.3Å; D329-N331 PolarHBondContact O-N 3.39Å; D329-N331 WeakPolarHBondContact OD1-CB 3.47Å; D329-N331 PolarHBondContact OD1-N 3.16Å; N331-Q334 PolarHBondContact O-N 3.31Å; N331-F335 WeakPolarHBondContact O-CB 3.43Å; N331-F335 PolarHBondContact O-N 3.09Å
332N97.8Very high96.3Very high21 Ų2139.4 Ų39.411%0.11221%0.207CC..Hα-helixtrans-62.3-45.1176.3176.3-108.9000111.7T325 C326 D329 F335 V336T325-N332 WeakPolarHBondContact CA-OD1 3.29Å; C326-N332 PolarHBondContact N-OD1 3.43Å; D329-N332 HydrophobicContact CB-CB 3.87Å; D329-N332 PolarHBondContact O-N 3.09Å; D329-N332 PolarHBondContact OD1-N 3.43Å; D329-N332 VanDerWaalsContact OD1-N 3.1Å; N332-F335 PolarHBondContact O-N 2.93Å; N332-V336 WeakPolarHBondContact O-CB 3.24Å; N332-V336 WeakPolarHBondContact O-CG2 3.48Å; N332-V336 PolarHBondContact O-N 2.74Å
333I97.6Very high95.8Very high2 Ų239.7 Ų39.71%0.0121%0.208CC..Hα-helixtrans-67.6-40178.6-67.6-57000111.9Q52 M53 I56 T325 D329 T330 F335 V336 F337Q52-I333 HydrophobicContact CB-CB 4.44Å; Q52-I333 HydrophobicContact CB-CG2 3.8Å; Q52-I333 HydrophobicContact CG-CB 4.35Å; Q52-I333 HydrophobicContact CG-CG1 4.23Å; Q52-I333 HydrophobicContact CG-CG2 4.21Å; M53-I333 HydrophobicContact CE-CG2 3.7Å; I56-I333 HydrophobicContact CD1-CB 4.35Å; I56-I333 HydrophobicContact CD1-CG2 3.9Å; T325-I333 HydrophobicContact CG2-CD1 4.14Å; D329-I333 PolarHBondContact O-N 2.87Å; T330-I333 PolarHBondContact O-N 2.94Å; I333-F335 PolarHBondContact O-N 3.47Å; I333-V336 PolarHBondContact O-N 3.29Å; I333-F337 WeakPolarHBondContact O-CB 3.41Å; I333-F337 PolarHBondContact O-N 3.34Å
334Q96.3Very high95.5Very high96 Ų9638 Ų3845%0.44920%0.2SC..Hα-helixtrans-60.2-46.8175.4-172.9174.24.900111.6I56 T330 N331 F337 D338I56-Q334 HydrophobicContact CD1-CB 4.02Å; I56-Q334 HydrophobicContact CG2-CB 4.42Å; I56-Q334 HydrophobicContact CG2-CG 4.04Å; T330-Q334 VanDerWaalsContact O-CB 3.3Å; T330-Q334 WeakPolarHBondContact O-CB 3.34Å; T330-Q334 PolarHBondContact O-N 2.85Å; N331-Q334 PolarHBondContact O-N 3.31Å; Q334-F337 PolarHBondContact O-N 3Å; Q334-D338 WeakPolarHBondContact O-CB 3.48Å; Q334-D338 PolarHBondContact O-N 2.91Å
335F96.4Very high95.1Very high148 Ų14837.6 Ų37.665%0.64920%0.199SC*.Hα-helixtrans-62.1-46.5177.3175.2-96.4000112.5N331 N332 I333 D338 A339N331-F335 WeakPolarHBondContact O-CB 3.43Å; N331-F335 PolarHBondContact O-N 3.09Å; N332-F335 PolarHBondContact O-N 2.93Å; I333-F335 PolarHBondContact O-N 3.47Å; F335-D338 WeakPolarHBondContact O-CB 3.26Å; F335-D338 PolarHBondContact O-N 2.74Å; F335-A339 PolarHBondContact O-N 3.3Å
336V95.3Very high94.6Very high4 Ų439.6 Ų39.62%0.02422%0.216CC..Hα-helixtrans-67.8-39.9-178.9170.10000111.2F269 H323 T325 N332 I333 D338 A339 V340F269-V336 HydrophobicContact CD1-CG1 4.32Å; F269-V336 HydrophobicContact CE1-CG1 3.46Å; F269-V336 VanDerWaalsContact CE1-CG1 3.46Å; F269-V336 HydrophobicContact CE2-CG1 4.4Å; F269-V336 HydrophobicContact CZ-CG1 3.53Å; H323-V336 HydrophobicContact CB-CG1 3.59Å; H323-V336 HydrophobicContact CB-CG2 4.19Å; T325-V336 HydrophobicContact CG2-CB 4.26Å; T325-V336 HydrophobicContact CG2-CG1 3.89Å; T325-V336 HydrophobicContact CG2-CG2 4.05Å; N332-V336 WeakPolarHBondContact O-CB 3.24Å; N332-V336 WeakPolarHBondContact O-CG2 3.48Å; N332-V336 PolarHBondContact O-N 2.74Å; I333-V336 PolarHBondContact O-N 3.29Å; V336-D338 VanDerWaalsContact C-N 3.31Å; V336-D338 PolarHBondContact O-N 2.94Å; V336-A339 PolarHBondContact O-N 2.87Å; V336-V340 HydrophobicContact CG1-CG2 4.46Å; V336-V340 WeakPolarHBondContact O-CB 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.29Å; V336-V340 PolarHBondContact O-N 3.07Å
337F94.6Very high94Very high2 Ų241.1 Ų41.11%0.00922%0.223CC..Hα-helixtrans-68.2-32.9178.5-162.2-94.2000112.3L36 M53 H57 F191 F193 F198 I333 Q334 V340 T341L36-F337 HydrophobicContact CD1-CE2 3.73Å; L36-F337 HydrophobicContact CD1-CZ 3.78Å; M53-F337 HydrophobicContact CE-CB 4.4Å; M53-F337 HydrophobicContact CE-CD2 4.06Å; M53-F337 HydrophobicContact CE-CG 4.1Å; M53-F337 HydrophobicContact SD-CD1 4.17Å; M53-F337 HydrophobicContact SD-CD2 3.81Å; M53-F337 HydrophobicContact SD-CE1 4.13Å; M53-F337 HydrophobicContact SD-CE2 3.75Å; M53-F337 HydrophobicContact SD-CG 4.04Å; M53-F337 HydrophobicContact SD-CZ 3.93Å; H57-F337 AromaticContact NE2-CD1 3.97Å; F191-F337 AromaticContact CE2-CE1 3.68Å; F191-F337 HydrophobicContact CE2-CE1 3.68Å; F191-F337 AromaticContact CE2-CZ 3.68Å; F191-F337 HydrophobicContact CE2-CZ 3.68Å; F191-F337 HydrophobicContact CZ-CE1 4.04Å; F191-F337 HydrophobicContact CZ-CE2 4.26Å; F191-F337 AromaticContact CZ-CZ 3.54Å; F191-F337 HydrophobicContact CZ-CZ 3.54Å; F193-F337 AromaticContact CD1-CD1 3.9Å; F193-F337 HydrophobicContact CD1-CD1 3.9Å; F193-F337 AromaticContact CD1-CE1 3.82Å; F193-F337 HydrophobicContact CD1-CE1 3.82Å; F193-F337 AromaticContact CE1-CD1 3.99Å; F193-F337 HydrophobicContact CE1-CD1 3.99Å; F193-F337 HydrophobicContact CE1-CE1 4.35Å; F198-F337 HydrophobicContact CD1-CZ 4.05Å; F198-F337 HydrophobicContact CE1-CE1 4.34Å; F198-F337 AromaticContact CE1-CZ 3.94Å; F198-F337 HydrophobicContact CE1-CZ 3.94Å; F198-F337 HydrophobicContact CE2-CE1 4.38Å; F198-F337 HydrophobicContact CG-CZ 4.44Å; F198-F337 HydrophobicContact CZ-CE1 4.2Å; F198-F337 HydrophobicContact CZ-CZ 4.26Å; I333-F337 WeakPolarHBondContact O-CB 3.41Å; I333-F337 PolarHBondContact O-N 3.34Å; Q334-F337 PolarHBondContact O-N 3Å; F337-V340 PolarHBondContact O-N 3.45Å; F337-T341 WeakPolarHBondContact O-CB 3.24Å; F337-T341 PolarHBondContact O-N 2.98Å; F337-T341 PolarHBondContact O-OG1 2.74Å
338D95.4Very high93.4Very high57 Ų5742.6 Ų42.631%0.30523%0.231SC..Hα-helixtrans-60.4-49.5171.7-164.160.9000111.9F193 K194 Q334 F335 V336 V340 T341 D342F193-D338 HydrophobicContact CZ-CB 4.41Å; F193-D338 VanDerWaalsContact CZ-OD1 3.29Å; F193-D338 WeakPolarHBondContact CZ-OD1 3.38Å; K194-D338 WeakPolarHBondContact CE-OD1 3.42Å; K194-D338 IonicContact NZ-OD1 3.42Å; K194-D338 PolarHBondContact NZ-OD1 3.4Å; K194-D338 IonicContact NZ-OD2 3.22Å; K194-D338 PolarHBondContact NZ-OD2 3.1Å; Q334-D338 WeakPolarHBondContact O-CB 3.48Å; Q334-D338 PolarHBondContact O-N 2.91Å; F335-D338 WeakPolarHBondContact O-CB 3.26Å; F335-D338 PolarHBondContact O-N 2.74Å; V336-D338 VanDerWaalsContact C-N 3.31Å; V336-D338 PolarHBondContact O-N 2.94Å; D338-V340 PolarHBondContact O-N 2.97Å; D338-T341 WeakPolarHBondContact O-CB 3.28Å; D338-T341 PolarHBondContact O-N 2.68Å; D338-D342 PolarHBondContact O-N 3Å
339A93.7Very high92.6Very high29 Ų2945.2 Ų45.224%0.2424%0.244CC..Hα-helixtrans-62.6-41.517700000112.5F335 V336 T341 D342 V343F335-A339 PolarHBondContact O-N 3.3Å; V336-A339 PolarHBondContact O-N 2.87Å; A339-T341 VanDerWaalsContact C-N 3.31Å; A339-T341 PolarHBondContact O-N 3.46Å; A339-D342 PolarHBondContact O-N 3.34Å; A339-V343 WeakPolarHBondContact O-CG2 3.46Å; A339-V343 PolarHBondContact O-N 3.34Å
340V92.7Very high91.7Very high1 Ų148.1 Ų48.11%0.00625%0.253CS..Hα-helixtrans-59-43.9173.81590000111.4I267 F269 V336 F337 D338 D342 V343 I344I267-V340 HydrophobicContact CD1-CB 4.28Å; I267-V340 HydrophobicContact CD1-CG1 3.44Å; I267-V340 VanDerWaalsContact CD1-CG1 3.44Å; I267-V340 HydrophobicContact CD1-CG2 3.99Å; I267-V340 HydrophobicContact CG1-CG2 4.32Å; I267-V340 HydrophobicContact CG2-CG2 3.66Å; F269-V340 HydrophobicContact CE1-CG2 4.03Å; F269-V340 HydrophobicContact CZ-CG2 4.3Å; V336-V340 HydrophobicContact CG1-CG2 4.46Å; V336-V340 WeakPolarHBondContact O-CB 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.29Å; V336-V340 PolarHBondContact O-N 3.07Å; F337-V340 PolarHBondContact O-N 3.45Å; D338-V340 PolarHBondContact O-N 2.97Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 2.98Å; V340-V343 PolarHBondContact O-N 3.49Å; V340-I344 HydrophobicContact CG1-CD1 3.74Å; V340-I344 WeakPolarHBondContact O-CG1 3.22Å; V340-I344 PolarHBondContact O-N 3.36Å
341T93.6Very high90.5Very high0 Ų049.6 Ų49.60%028%0.277CS..Hα-helixtrans-64.2-40.4-179.8-610000111.3F193 K194 M196 F198 F337 D338 A339 V343 I344 I345F193-T341 HydrophobicContact CD1-CG2 3.9Å; F193-T341 WeakPolarHBondContact CD1-OG1 3.11Å; F193-T341 HydrophobicContact CE1-CG2 4.02Å; F193-T341 WeakPolarHBondContact CE1-OG1 3.33Å; K194-T341 HydrophobicContact CB-CG2 4.17Å; K194-T341 HydrophobicContact CD-CG2 3.8Å; K194-T341 HydrophobicContact CG-CG2 4.46Å; M196-T341 HydrophobicContact SD-CG2 4.06Å; F198-T341 HydrophobicContact CE2-CG2 4.41Å; F198-T341 HydrophobicContact CZ-CG2 3.92Å; F337-T341 WeakPolarHBondContact O-CB 3.24Å; F337-T341 PolarHBondContact O-N 2.98Å; F337-T341 PolarHBondContact O-OG1 2.74Å; D338-T341 WeakPolarHBondContact O-CB 3.28Å; D338-T341 PolarHBondContact O-N 2.68Å; A339-T341 VanDerWaalsContact C-N 3.31Å; A339-T341 PolarHBondContact O-N 3.46Å; T341-V343 VanDerWaalsContact C-N 3.33Å; T341-V343 PolarHBondContact O-N 3Å; T341-I344 PolarHBondContact O-N 2.91Å; T341-I345 HydrophobicContact CG2-CD1 3.8Å; T341-I345 HydrophobicContact CG2-CG1 4.32Å; T341-I345 VanDerWaalsContact O-CG1 3.29Å; T341-I345 WeakPolarHBondContact O-CG1 3.44Å; T341-I345 PolarHBondContact O-N 3.37Å
342D91.9Very high89.2Confident77 Ų7747 Ų4741%0.41227%0.267SS..Hα-helixtrans-63.6-38.3177.2-71.4-18.7000112.5K194 D338 A339 V340 I345 A346K194-D342 VanDerWaalsContact NZ-CG 3.29Å; K194-D342 IonicContact NZ-OD1 3.53Å; K194-D342 PolarHBondContact NZ-OD1 2.84Å; K194-D342 IonicContact NZ-OD2 2.7Å; K194-D342 PolarHBondContact NZ-OD2 3.22Å; D338-D342 PolarHBondContact O-N 3Å; A339-D342 PolarHBondContact O-N 3.34Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 2.98Å; D342-I345 PolarHBondContact O-N 3.35Å; D342-A346 WeakPolarHBondContact O-CB 3.36Å; D342-A346 PolarHBondContact O-N 3.34Å
343V88.7Confident87.5Confident33 Ų3348.7 Ų48.720%0.229%0.29CS..Hα-helixtrans-63.4-44.3173.51730000111.1Y321 A339 V340 T341 A346 N347Y321-V343 HydrophobicContact CD1-CG1 4.29Å; Y321-V343 HydrophobicContact CD1-CG2 4.3Å; Y321-V343 HydrophobicContact CD2-CG1 3.84Å; Y321-V343 HydrophobicContact CE1-CG1 4.02Å; Y321-V343 HydrophobicContact CE1-CG2 4.39Å; Y321-V343 HydrophobicContact CE2-CG1 3.51Å; Y321-V343 HydrophobicContact CG-CG1 4.21Å; A339-V343 WeakPolarHBondContact O-CG2 3.46Å; A339-V343 PolarHBondContact O-N 3.34Å; V340-V343 PolarHBondContact O-N 3.49Å; T341-V343 VanDerWaalsContact C-N 3.33Å; T341-V343 PolarHBondContact O-N 3Å; V343-A346 PolarHBondContact O-N 3.15Å; V343-N347 PolarHBondContact O-N 3.31Å
344I91Very high85.5Confident5 Ų553.4 Ų53.43%0.02632%0.315CS..Hα-helixtrans-63.4-45.4178.5-67164.2000110.7V34 L36 M196 F198 T221 A222 V340 T341 A346 N347 N348V34-I344 HydrophobicContact CG1-CD1 4.24Å; V34-I344 HydrophobicContact CG1-CG2 4.06Å; V34-I344 HydrophobicContact CG2-CG2 3.99Å; L36-I344 HydrophobicContact CD2-CD1 3.77Å; M196-I344 HydrophobicContact CE-CG2 4.15Å; F198-I344 HydrophobicContact CE1-CD1 4.33Å; T221-I344 HydrophobicContact CG2-CG2 4.03Å; A222-I344 HydrophobicContact CB-CD1 4.36Å; A222-I344 HydrophobicContact CB-CG1 4.37Å; V340-I344 HydrophobicContact CG1-CD1 3.74Å; V340-I344 WeakPolarHBondContact O-CG1 3.22Å; V340-I344 PolarHBondContact O-N 3.36Å; T341-I344 PolarHBondContact O-N 2.91Å; I344-A346 VanDerWaalsContact C-N 3.34Å; I344-A346 PolarHBondContact O-N 3.48Å; I344-N347 PolarHBondContact O-N 3.24Å; I344-N348 WeakPolarHBondContact O-CB 3.32Å; I344-N348 PolarHBondContact O-N 3.39Å; I344-N348 PolarHBondContact O-OD1 3.45Å
345I89.2Confident82.9Confident50 Ų5060.7 Ų60.726%0.25634%0.34SS..Hα-helixtrans-59.1-47.6176.9-69.7168.3000110.3K194 M196 T341 D342 N347 N348 L349K194-I345 HydrophobicContact CB-CD1 4.44Å; K194-I345 HydrophobicContact CD-CD1 4.48Å; M196-I345 HydrophobicContact CE-CG1 4.09Å; M196-I345 HydrophobicContact CG-CG1 4.45Å; M196-I345 HydrophobicContact SD-CD1 3.91Å; M196-I345 HydrophobicContact SD-CG1 3.38Å; M196-I345 WeakPolarHBondContact SD-CG1 3.09Å; T341-I345 HydrophobicContact CG2-CD1 3.8Å; T341-I345 HydrophobicContact CG2-CG1 4.32Å; T341-I345 VanDerWaalsContact O-CG1 3.29Å; T341-I345 WeakPolarHBondContact O-CG1 3.44Å; T341-I345 PolarHBondContact O-N 3.37Å; D342-I345 PolarHBondContact O-N 3.35Å; I345-N347 VanDerWaalsContact C-N 3.3Å; I345-N347 PolarHBondContact O-N 3Å; I345-N348 PolarHBondContact O-N 2.89Å; I345-L349 HydrophobicContact CG2-CD1 3.88Å; I345-L349 HydrophobicContact CG2-CG 4.36Å; I345-L349 WeakPolarHBondContact O-CB 3.27Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.31Å; I345-L349 PolarHBondContact O-N 2.85Å
346A86.8Confident82.2Confident43 Ų4356.4 Ų56.436%0.35533%0.325SS..Hα-helixtrans-59.7-41178.700000112.1D342 V343 I344 K350D342-A346 WeakPolarHBondContact O-CB 3.36Å; D342-A346 PolarHBondContact O-N 3.34Å; V343-A346 PolarHBondContact O-N 3.15Å; I344-A346 VanDerWaalsContact C-N 3.34Å; I344-A346 PolarHBondContact O-N 3.48Å; A346-K350 WeakPolarHBondContact O-CG 3.49Å; A346-K350 PolarHBondContact O-N 3.42Å; A346-K350 VanDerWaalsContact O-N 3.1Å
347N85.5Confident81.5Confident41 Ų4159.1 Ų59.122%0.21934%0.341CS..Hα-helixtrans-70.2-41.7178.2-72.7-13.8000112.4S265 V343 I344 I345 L349 K350 G351S265-N347 PolarHBondContact OG-ND2 3.29Å; S265-N347 VanDerWaalsContact OG-ND2 3.15Å; V343-N347 PolarHBondContact O-N 3.31Å; I344-N347 PolarHBondContact O-N 3.24Å; I345-N347 VanDerWaalsContact C-N 3.3Å; I345-N347 PolarHBondContact O-N 3Å; N347-L349 VanDerWaalsContact C-N 3.33Å; N347-L349 PolarHBondContact O-N 2.99Å; N347-K350 PolarHBondContact O-N 3.03Å; N347-G351 PolarHBondContact O-N 3.49Å
348N85Confident80.8Confident35 Ų3562.3 Ų62.319%0.18736%0.359CS..Hα-helixtrans-62.2-40.5175.7-73.64.2000111.4A31 I344 I345 G351 C352A31-N348 PolarHBondContact O-ND2 3.43Å; I344-N348 WeakPolarHBondContact O-CB 3.32Å; I344-N348 PolarHBondContact O-N 3.39Å; I344-N348 PolarHBondContact O-OD1 3.45Å; I345-N348 PolarHBondContact O-N 2.89Å; N348-G351 PolarHBondContact O-N 3.05Å; N348-C352 PolarHBondContact O-N 3.02Å; N348-C352 VanDerWaalsContact O-N 3.11Å; N348-C352 PolarHBondContact O-SG 2.82Å
349L80.2Confident80Confident76 Ų7662.6 Ų62.640%0.39836%0.362SS..Hα-helixtrans-66.6-40.9177.5-71.2174000112.8I345 N347 G351 C352 G353 L354I345-L349 HydrophobicContact CG2-CD1 3.88Å; I345-L349 HydrophobicContact CG2-CG 4.36Å; I345-L349 WeakPolarHBondContact O-CB 3.27Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.31Å; I345-L349 PolarHBondContact O-N 2.85Å; N347-L349 VanDerWaalsContact C-N 3.33Å; N347-L349 PolarHBondContact O-N 2.99Å; L349-G351 VanDerWaalsContact C-N 3.35Å; L349-C352 PolarHBondContact O-N 3.11Å; L349-G353 PolarHBondContact O-N 3.03Å; L349-L354 HydrophobicContact CD2-CB 4.48Å; L349-L354 HydrophobicContact CD2-CD1 4.07Å; L349-L354 PolarHBondContact O-N 3.4Å
350K79.2Confident79.1Confident126 Ų12664.7 Ų64.755%0.54837%0.37SS..Hα-helixtrans-60.2-44.5172.5-74.3173.7-176.7173.80111.3A346 N347 C352 G353A346-K350 WeakPolarHBondContact O-CG 3.49Å; A346-K350 PolarHBondContact O-N 3.42Å; A346-K350 VanDerWaalsContact O-N 3.1Å; N347-K350 PolarHBondContact O-N 3.03Å; K350-C352 VanDerWaalsContact C-N 3.25Å; K350-C352 PolarHBondContact O-N 3.08Å; K350-G353 PolarHBondContact O-N 2.82Å; K350-G353 VanDerWaalsContact O-N 3.12Å
351G72.9Confident78.2Confident74 Ų7468.9 Ų68.976%0.76339%0.394SS*.Hα-helixtrans-62.3-29.6177.600000113.9N347 N348 L349 G353N347-G351 PolarHBondContact O-N 3.49Å; N348-G351 PolarHBondContact O-N 3.05Å; L349-G351 VanDerWaalsContact C-N 3.35Å; G351-G353 VanDerWaalsContact C-N 3.33Å
352C69.5Low77.1Confident66 Ų6673.9 Ų73.945%0.44642%0.422SS..THydrogen-bonded Turntrans-83.2-2.2176.7-63.40000114.3N348 L349 K350 L354N348-C352 PolarHBondContact O-N 3.02Å; N348-C352 VanDerWaalsContact O-N 3.11Å; N348-C352 PolarHBondContact O-SG 2.82Å; L349-C352 PolarHBondContact O-N 3.11Å; K350-C352 VanDerWaalsContact C-N 3.25Å; K350-C352 PolarHBondContact O-N 3.08Å; C352-L354 VanDerWaalsContact C-N 3.34Å; C352-L354 HydrophobicContact CB-CD1 4.16Å; C352-L354 HydrophobicContact CB-CG 4.26Å
353G62.5Low76Confident58 Ų5873.6 Ų73.660%0.59842%0.423SS*.THydrogen-bonded Turntrans70.326.3-176.100000114.3L349 K350 G351L349-G353 PolarHBondContact O-N 3.03Å; K350-G353 PolarHBondContact O-N 2.82Å; K350-G353 VanDerWaalsContact O-N 3.12Å; G351-G353 VanDerWaalsContact C-N 3.33Å
354L54.7Low74.9Confident101 Ų10177 Ų7753%0.52944%0.442SS..  trans-96.515.9179.7-69.2172000113.5L349 C352L349-L354 HydrophobicContact CD2-CB 4.48Å; L349-L354 HydrophobicContact CD2-CD1 4.07Å; L349-L354 PolarHBondContact O-N 3.4Å; C352-L354 VanDerWaalsContact C-N 3.34Å; C352-L354 HydrophobicContact CB-CD1 4.16Å; C352-L354 HydrophobicContact CB-CG 4.26Å
355Y42.4Very low73.5Confident249 Ų24983.5 Ų83.598%0.97648%0.48SS*.  trans-127.30172.2-138-82.6000108.4

Retrieved 355 of 355 residues in 702.3 ms (Link to these results)

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