A0A5K4F761_SCHMA Loading...

threonine--tRNA ligase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F761, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 725 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
1M36.5Very low34.4Very low244 Ų244134.4 Ų134.4100%1.20280%0.795SS**  0103.60-67.1179-154.700106.9S3M1-S3 PolarHBondContact O-N 2.84Å
2A35.3Very low35.8Very low100 Ų100128 Ų12883%0.82677%0.769SS**  trans-73.5106.7176.200000107.8N4A2-N4 PolarHBondContact O-N 2.83Å; A2-N4 VanDerWaalsContact O-N 3.15Å
3S35.6Very low37.4Very low98 Ų98120.1 Ų120.169%0.68572%0.72SS**  trans-71.3104.5171.1560000107.9M1 H5M1-S3 PolarHBondContact O-N 2.84Å; S3-H5 PolarHBondContact O-N 3.12Å
4N34.2Very low39Very low150 Ų150117.8 Ų117.880%0.80270%0.702SS**  trans-54.2104.2163.4-82.8-20.9000108.1A2 Q6A2-N4 PolarHBondContact O-N 2.83Å; A2-N4 VanDerWaalsContact O-N 3.15Å; N4-Q6 PolarHBondContact O-N 2.72Å
5H33.9Very low40.2Very low177 Ų177118.1 Ų118.182%0.81969%0.693SS**  trans-61.995.6158.9-84.3-68.9000106.7S3 C7S3-H5 PolarHBondContact O-N 3.12Å; H5-C7 PolarHBondContact O-N 3.07Å; H5-C7 VanDerWaalsContact O-N 3.07Å
6Q28.6Very low41.4Very low182 Ų182122.9 Ų122.985%0.8570%0.703SS**  trans-56.9114.4164.7-81.2-179.9-25.100107.1N4 G8N4-Q6 PolarHBondContact O-N 2.72Å; Q6-G8 PolarHBondContact O-N 2.86Å; Q6-G8 VanDerWaalsContact O-N 3.12Å
7C28.5Very low42.9Very low121 Ų121119.7 Ų119.782%0.81869%0.69SS**  trans-44.6116.4163.6-172.50000107.9H5 L9H5-C7 PolarHBondContact O-N 3.07Å; H5-C7 VanDerWaalsContact O-N 3.07Å; C7-L9 PolarHBondContact O-N 3.13Å
8G30.2Very low44.8Very low71 Ų71116.8 Ų116.873%0.73267%0.671SS**  trans-58.6106.7179.500000109.2Q6 A10Q6-G8 PolarHBondContact O-N 2.86Å; Q6-G8 VanDerWaalsContact O-N 3.12Å; G8-A10 PolarHBondContact O-N 3.39Å; G8-A10 VanDerWaalsContact O-N 3.11Å
9L29.9Very low46.7Very low167 Ų167113.2 Ų113.287%0.87465%0.652SS**  trans-56.6114.7166.5-77.8155.6000107.1C7 V11C7-L9 PolarHBondContact O-N 3.13Å; L9-V11 PolarHBondContact O-N 3.18Å; L9-V11 VanDerWaalsContact O-N 3.16Å
10A41.6Very low48.6Very low55 Ų55113 Ų11346%0.45566%0.655SS.*  trans-47.9123169.400000108.5G8 A12G8-A10 PolarHBondContact O-N 3.39Å; G8-A10 VanDerWaalsContact O-N 3.11Å; A10-A12 PolarHBondContact O-N 3.08Å
11V44.3Very low50.3Low113 Ų113112.6 Ų112.669%0.68566%0.656SS**  trans-64.1108.7179.2179.60000107.1L9 L13L9-V11 PolarHBondContact O-N 3.18Å; L9-V11 VanDerWaalsContact O-N 3.16Å; V11-L13 PolarHBondContact O-N 2.84Å
12A51.3Low52.7Low58 Ų58102 Ų10248%0.47961%0.605SS.*  trans-62134.917300000109A10 N14A10-A12 PolarHBondContact O-N 3.08Å; A12-N14 PolarHBondContact O-N 2.72Å
13L56.7Low55.3Low25 Ų25105.6 Ų105.613%0.13161%0.605CS.*  trans-58.9137.2171-81161.9000109.7V11 L18 C136 Y137 I172V11-L13 PolarHBondContact O-N 2.84Å; L13-L18 HydrophobicContact CD2-CD2 4.37Å; L13-C136 HydrophobicContact CD1-CB 4.32Å; L13-C136 WeakPolarHBondContact CD2-O 3.31Å; L13-Y137 HydrophobicContact CD1-CD1 4.21Å; L13-Y137 HydrophobicContact CD1-CD2 4.47Å; L13-Y137 HydrophobicContact CD1-CE1 3.43Å; L13-Y137 VanDerWaalsContact CD1-CE1 3.43Å; L13-Y137 HydrophobicContact CD1-CE2 3.71Å; L13-Y137 WeakPolarHBondContact CD1-OH 3.18Å; L13-I172 HydrophobicContact CB-CD1 3.7Å; L13-I172 VanDerWaalsContact O-CD1 3.23Å; L13-I172 WeakPolarHBondContact O-CD1 3.43Å
14N60.1Low58Low88 Ų88102.1 Ų102.147%0.47158%0.578SS.*  trans-133.2139.2171.7-176.4-18000107A12 K16 S17A12-N14 PolarHBondContact O-N 2.72Å; N14-K16 PolarHBondContact O-N 2.95Å; N14-K16 PolarHBondContact OD1-N 3.04Å; N14-S17 CarbonylContact O-C 3.59Å; N14-S17 PolarHBondContact O-N 3.01Å
15E56.8Low60.8Low122 Ų12295.6 Ų95.657%0.5754%0.543SS*.THydrogen-bonded Turntrans-50-28.6177.5-68.4-177.4165.900113.2N175E15-N175 PolarHBondContact OE1-ND2 3.05Å
16K58.4Low63.6Low196 Ų19693.6 Ų93.685%0.85253%0.532SS*.THydrogen-bonded Turntrans-83.6-7.7-179.7-66-174.8178.61800114.9N14N14-K16 PolarHBondContact O-N 2.95Å; N14-K16 PolarHBondContact OD1-N 3.04Å
17S68.1Low66.8Low68 Ų6888.6 Ų88.648%0.47651%0.508SS..  trans-146.769.3-175.963.40000111.3N14N14-S17 CarbonylContact O-C 3.59Å; N14-S17 PolarHBondContact O-N 3.01Å
18L77Confident69.9Low67 Ų6782.9 Ų82.935%0.35147%0.47SS..PPolyproline II helixtrans-65147.2162.5-67.8176.3000109.5L13 V176L13-L18 HydrophobicContact CD2-CD2 4.37Å; L18-V176 HydrophobicContact CD1-CG2 3.96Å; L18-V176 HydrophobicContact CD2-CG2 4.22Å
19P79.9Confident73Confident49 Ų4982.3 Ų82.332%0.31845%0.448SS..PPolyproline II helixtrans-61.5154.117427.2-33.6000110.9R135 C136P19-R135 WeakPolarHBondContact CD-O 3.22Å; P19-R135 VanDerWaalsContact CG-O 3.29Å; P19-R135 WeakPolarHBondContact CG-O 3.33Å; P19-C136 WeakPolarHBondContact CG-O 3.42Å
20P84.5Confident76.1Confident109 Ų10979.7 Ų79.771%0.70843%0.431SS*.PPolyproline II helixtrans-60148.4173.126.7-34.2000110.5
21P85.5Confident78.7Confident105 Ų10578.7 Ų78.768%0.68242%0.418SS*.PPolyproline II helixtrans-55.1131177.9-25.133.7000111.3I25P21-I25 HydrophobicContact CB-CD1 4.09Å
22P86.6Confident81.2Confident20 Ų2073.4 Ų73.413%0.1339%0.386CS..PPolyproline II helixtrans-64.815017824.3-34.3000112.1F24 I25P22-F24 HydrophobicContact CB-CD1 3.65Å; P22-F24 HydrophobicContact CB-CE1 3.32Å; P22-F24 HydrophobicContact CB-CE2 4.27Å; P22-F24 HydrophobicContact CB-CG 4.27Å; P22-F24 HydrophobicContact CB-CZ 3.67Å; P22-F24 HydrophobicContact CG-CD1 4.07Å; P22-F24 HydrophobicContact CG-CD2 4.23Å; P22-F24 HydrophobicContact CG-CE1 3.44Å; P22-F24 VanDerWaalsContact CG-CE1 3.44Å; P22-F24 HydrophobicContact CG-CE2 3.6Å; P22-F24 HydrophobicContact CG-CG 4.43Å; P22-F24 HydrophobicContact CG-CZ 3.16Å; P22-F24 PolarHBondContact O-N 3.36Å; P22-F24 VanDerWaalsContact O-N 3.13Å; P22-I25 HydrophobicContact CG-CD1 3.84Å; P22-I25 HydrophobicContact CG-CG1 4.06Å; P22-I25 WeakPolarHBondContact O-CB 3.17Å; P22-I25 PolarHBondContact O-N 2.99Å
23E89.7Confident83.3Confident176 Ų17674.3 Ų74.382%0.82238%0.383SS*.Hα-helixtrans-56.9-33.1-174.7-174.3175.3-172.500113.3I25 K26 H27E23-I25 PolarHBondContact O-N 2.82Å; E23-I25 VanDerWaalsContact O-N 3.17Å; E23-K26 PolarHBondContact O-N 2.97Å; E23-H27 PolarHBondContact O-N 3.12Å
24F92Very high85.3Confident26 Ų2678.4 Ų78.411%0.11440%0.399CS..Hα-helixtrans-61.4-24.4179.461.6-112000113.7P22 H27 R28 E134 Y203P22-F24 HydrophobicContact CB-CD1 3.65Å; P22-F24 HydrophobicContact CB-CE1 3.32Å; P22-F24 HydrophobicContact CB-CE2 4.27Å; P22-F24 HydrophobicContact CB-CG 4.27Å; P22-F24 HydrophobicContact CB-CZ 3.67Å; P22-F24 HydrophobicContact CG-CD1 4.07Å; P22-F24 HydrophobicContact CG-CD2 4.23Å; P22-F24 HydrophobicContact CG-CE1 3.44Å; P22-F24 VanDerWaalsContact CG-CE1 3.44Å; P22-F24 HydrophobicContact CG-CE2 3.6Å; P22-F24 HydrophobicContact CG-CG 4.43Å; P22-F24 HydrophobicContact CG-CZ 3.16Å; P22-F24 PolarHBondContact O-N 3.36Å; P22-F24 VanDerWaalsContact O-N 3.13Å; F24-H27 PolarHBondContact O-N 3.02Å; F24-R28 WeakPolarHBondContact O-CG 3.14Å; F24-R28 PolarHBondContact O-N 3.48Å; F24-E134 HydrophobicContact CE2-CG 4.48Å; F24-Y203 HydrophobicContact CB-CD1 3.54Å; F24-Y203 HydrophobicContact CB-CD2 3.82Å; F24-Y203 HydrophobicContact CB-CE1 3.75Å; F24-Y203 HydrophobicContact CB-CE2 4Å; F24-Y203 HydrophobicContact CB-CG 3.57Å; F24-Y203 AromaticContact CD1-CD2 3.39Å; F24-Y203 HydrophobicContact CD1-CD2 3.39Å; F24-Y203 AromaticContact CD1-CE2 3.48Å; F24-Y203 HydrophobicContact CD1-CE2 3.48Å; F24-Y203 VanDerWaalsContact CD1-CE2 3.48Å; F24-Y203 HydrophobicContact CD1-CG 4.02Å; F24-Y203 HydrophobicContact CD2-CD2 4.13Å; F24-Y203 AromaticContact CD2-CE1 3.95Å; F24-Y203 HydrophobicContact CD2-CE1 3.95Å; F24-Y203 AromaticContact CD2-CE2 3.47Å; F24-Y203 HydrophobicContact CD2-CE2 3.47Å; F24-Y203 VanDerWaalsContact CD2-CE2 3.47Å; F24-Y203 AromaticContact CD2-CZ 3.36Å; F24-Y203 WeakPolarHBondContact CD2-OH 3.33Å; F24-Y203 AromaticContact CE1-CD2 3.87Å; F24-Y203 HydrophobicContact CE1-CD2 3.87Å; F24-Y203 AromaticContact CE1-CE2 3.65Å; F24-Y203 HydrophobicContact CE1-CE2 3.65Å; F24-Y203 AromaticContact CE2-CE2 3.67Å; F24-Y203 HydrophobicContact CE2-CE2 3.67Å; F24-Y203 AromaticContact CE2-CZ 3.79Å; F24-Y203 HydrophobicContact CG-CD1 4.06Å; F24-Y203 AromaticContact CG-CD2 3.54Å; F24-Y203 HydrophobicContact CG-CD2 3.54Å; F24-Y203 AromaticContact CG-CE1 3.95Å; F24-Y203 HydrophobicContact CG-CE1 3.95Å; F24-Y203 AromaticContact CG-CE2 3.38Å; F24-Y203 HydrophobicContact CG-CE2 3.38Å; F24-Y203 AromaticContact CG-CG 3.87Å; F24-Y203 HydrophobicContact CG-CG 3.87Å; F24-Y203 AromaticContact CG-CZ 3.6Å; F24-Y203 HydrophobicContact CZ-CD2 4.43Å; F24-Y203 AromaticContact CZ-CE2 3.74Å; F24-Y203 HydrophobicContact CZ-CE2 3.74Å
25I92.5Very high87Confident13 Ų1375.1 Ų75.17%0.06738%0.382CS..Hα-helixtrans-61.9-49.8176.5-69.2176.1000109.7P21 P22 E23 H27 R28 E29 P227P21-I25 HydrophobicContact CB-CD1 4.09Å; P22-I25 HydrophobicContact CG-CD1 3.84Å; P22-I25 HydrophobicContact CG-CG1 4.06Å; P22-I25 WeakPolarHBondContact O-CB 3.17Å; P22-I25 PolarHBondContact O-N 2.99Å; E23-I25 PolarHBondContact O-N 2.82Å; E23-I25 VanDerWaalsContact O-N 3.17Å; I25-H27 VanDerWaalsContact C-N 3.34Å; I25-H27 PolarHBondContact O-N 3.49Å; I25-R28 PolarHBondContact O-N 3.18Å; I25-E29 WeakPolarHBondContact O-CG 3.33Å; I25-E29 PolarHBondContact O-N 2.94Å; I25-P227 HydrophobicContact CG2-CB 3.85Å
26K93.8Very high88.9Confident134 Ų13470.8 Ų70.858%0.58336%0.361SS*.Hα-helixtrans-61.4-43179.9-174-177.2174.3-168.20111.6E23 R28 E29 E30E23-K26 PolarHBondContact O-N 2.97Å; K26-R28 PolarHBondContact O-N 3.4Å; K26-E29 PolarHBondContact O-N 3.25Å; K26-E30 WeakPolarHBondContact CE-OE1 3.47Å; K26-E30 WeakPolarHBondContact O-CG 3.46Å; K26-E30 PolarHBondContact O-N 2.81Å
27H94.5Very high90.7Very high78 Ų7870 Ų7036%0.36135%0.353SS..Hα-helixtrans-59.6-45.7176.6176.468.5000112.5E23 F24 I25 E29 E30 L31 K199E23-H27 PolarHBondContact O-N 3.12Å; F24-H27 PolarHBondContact O-N 3.02Å; I25-H27 VanDerWaalsContact C-N 3.34Å; I25-H27 PolarHBondContact O-N 3.49Å; H27-E29 PolarHBondContact O-N 2.91Å; H27-E30 PolarHBondContact O-N 3.31Å; H27-L31 PolarHBondContact O-N 2.87Å; H27-K199 PolarHBondContact NE2-O 3.07Å
28R94.9Very high92Very high1 Ų172 Ų720%0.00436%0.355CS..Hα-helixtrans-61.9-43.1176-68.6-171.7-60.4-168.7-8.3111.5F24 I25 K26 L31 W32 E134 M200 Y203 I229F24-R28 WeakPolarHBondContact O-CG 3.14Å; F24-R28 PolarHBondContact O-N 3.48Å; I25-R28 PolarHBondContact O-N 3.18Å; K26-R28 PolarHBondContact O-N 3.4Å; R28-L31 PolarHBondContact O-N 2.84Å; R28-W32 VanDerWaalsContact O-CB 3.31Å; R28-W32 WeakPolarHBondContact O-CB 3.29Å; R28-W32 PolarHBondContact O-N 2.88Å; R28-E134 IonicContact CZ-OE1 2.93Å; R28-E134 IonicContact CZ-OE2 2.85Å; R28-E134 IonicContact NH1-OE1 3.08Å; R28-E134 PolarHBondContact NH1-OE1 2.77Å; R28-E134 IonicContact NH1-OE2 3.75Å; R28-E134 VanDerWaalsContact NH2-CD 3.29Å; R28-E134 IonicContact NH2-OE1 3.15Å; R28-E134 PolarHBondContact NH2-OE1 2.87Å; R28-E134 VanDerWaalsContact NH2-OE1 3.14Å; R28-E134 IonicContact NH2-OE2 3.05Å; R28-E134 PolarHBondContact NH2-OE2 2.79Å; R28-M200 HydrophobicContact CB-CG 4.2Å; R28-M200 HydrophobicContact CG-CG 3.75Å; R28-Y203 HydrophobicContact CG-CE1 4.33Å; R28-Y203 PolarHBondContact NH1-OH 2.93Å; R28-Y203 VanDerWaalsContact NH1-OH 3.09Å; R28-I229 VanDerWaalsContact C-CD1 3.5Å; R28-I229 HydrophobicContact CB-CB 4.34Å; R28-I229 HydrophobicContact CB-CD1 3.65Å; R28-I229 PolarHBondContact NH1-O 2.65Å; R28-I229 WeakPolarHBondContact O-CD1 3.45Å
29E94.4Very high92.8Very high58 Ų5871.3 Ų71.327%0.27135%0.348SS..Hα-helixtrans-63.3-41179.7-73.4-174154.100112.9I25 K26 H27 W32 N33 R224 I229I25-E29 WeakPolarHBondContact O-CG 3.33Å; I25-E29 PolarHBondContact O-N 2.94Å; K26-E29 PolarHBondContact O-N 3.25Å; H27-E29 PolarHBondContact O-N 2.91Å; E29-W32 PolarHBondContact O-N 3.45Å; E29-N33 WeakPolarHBondContact O-CB 3.13Å; E29-N33 PolarHBondContact O-N 3.23Å; E29-N33 PolarHBondContact O-ND2 3Å; E29-N33 VanDerWaalsContact O-ND2 3.08Å; E29-R224 IonicContact OE1-NH2 3.14Å; E29-I229 HydrophobicContact CG-CD1 4.37Å
30E95.8Very high93.5Very high113 Ų11372.3 Ų72.353%0.52835%0.35SS..Hα-helixtrans-61.6-46.5176.8-73.9177-175.500111.7K26 H27 K34K26-E30 WeakPolarHBondContact CE-OE1 3.47Å; K26-E30 WeakPolarHBondContact O-CG 3.46Å; K26-E30 PolarHBondContact O-N 2.81Å; H27-E30 PolarHBondContact O-N 3.31Å; E30-K34 PolarHBondContact O-N 3.26Å
31L95.6Very high94.1Very high34 Ų3469.2 Ų69.218%0.17834%0.338CS..Hα-helixtrans-64.6-44.2175.6-76173.4000112H27 R28 K34 L35 K199 M200H27-L31 PolarHBondContact O-N 2.87Å; R28-L31 PolarHBondContact O-N 2.84Å; L31-K34 PolarHBondContact O-N 3.37Å; L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 2.79Å; L31-K199 HydrophobicContact CD1-CB 4.32Å; L31-M200 HydrophobicContact CB-CE 3.83Å; L31-M200 HydrophobicContact CD1-CB 4.08Å
32W97Very high94.5Very high2 Ų268.9 Ų68.91%0.00833%0.326CS..Hα-helixtrans-57.3-51.5176.5177.2-88.3000111.5R28 E29 K34 L35 K36 E188 L190 M200 V222 R224 I229R28-W32 VanDerWaalsContact O-CB 3.31Å; R28-W32 WeakPolarHBondContact O-CB 3.29Å; R28-W32 PolarHBondContact O-N 2.88Å; E29-W32 PolarHBondContact O-N 3.45Å; W32-K34 PolarHBondContact O-N 2.86Å; W32-L35 PolarHBondContact O-N 3.37Å; W32-K36 HydrophobicContact CZ2-CD 4.21Å; W32-K36 WeakPolarHBondContact O-CB 3.49Å; W32-K36 PolarHBondContact O-N 3.36Å; W32-E188 HydrophobicContact CH2-CB 4.37Å; W32-E188 VanDerWaalsContact CH2-O 3.29Å; W32-E188 WeakPolarHBondContact CH2-O 3.43Å; W32-E188 HydrophobicContact CZ2-CB 3.74Å; W32-L190 HydrophobicContact CE3-CD2 4.25Å; W32-L190 HydrophobicContact CH2-CB 3.61Å; W32-L190 HydrophobicContact CZ2-CB 4.34Å; W32-L190 HydrophobicContact CZ3-CB 3.72Å; W32-L190 HydrophobicContact CZ3-CD2 4.24Å; W32-M200 HydrophobicContact CB-CE 4.35Å; W32-V222 HydrophobicContact CE3-CG1 4.46Å; W32-V222 HydrophobicContact CZ3-CB 4.23Å; W32-V222 HydrophobicContact CZ3-CG1 3.92Å; W32-R224 HydrophobicContact CD2-CB 4.03Å; W32-R224 HydrophobicContact CE3-CB 4.15Å; W32-R224 HydrophobicContact CH2-CB 3.58Å; W32-R224 HydrophobicContact CZ2-CB 3.44Å; W32-R224 VanDerWaalsContact CZ2-CB 3.44Å; W32-R224 HydrophobicContact CZ2-CG 4.42Å; W32-R224 HydrophobicContact CZ3-CB 3.93Å; W32-R224 VanDerWaalsContact NE1-CD 3.29Å; W32-I229 HydrophobicContact CB-CD1 3.6Å; W32-I229 HydrophobicContact CD2-CD1 4.35Å; W32-I229 HydrophobicContact CD2-CG1 4.44Å; W32-I229 HydrophobicContact CE3-CD1 4.41Å; W32-I229 HydrophobicContact CE3-CG1 4.24Å; W32-I229 HydrophobicContact CE3-CG2 3.87Å; W32-I229 HydrophobicContact CG-CD1 4.03Å; W32-I229 HydrophobicContact CZ3-CG2 4.28Å
33N96.5Very high94.8Very high77 Ų7769 Ų6941%0.41233%0.326SS..Hα-helixtrans-62.4-31.9-177.7-72.3-29.5000112.6E29 R37E29-N33 WeakPolarHBondContact O-CB 3.13Å; E29-N33 PolarHBondContact O-N 3.23Å; E29-N33 PolarHBondContact O-ND2 3Å; E29-N33 VanDerWaalsContact O-ND2 3.08Å; N33-R37 VanDerWaalsContact O-CG 3.3Å; N33-R37 WeakPolarHBondContact O-CG 3.42Å; N33-R37 PolarHBondContact O-NE 3.41Å
34K96.7Very high95Very high111 Ų11164.1 Ų64.148%0.48332%0.316SS..Hα-helixtrans-66.2-57.9171.8-178.2-171.5171-168.50110.8E30 L31 W32 K36 R37 E38E30-K34 PolarHBondContact O-N 3.26Å; L31-K34 PolarHBondContact O-N 3.37Å; W32-K34 PolarHBondContact O-N 2.86Å; K34-K36 PolarHBondContact O-N 3.5Å; K34-R37 PolarHBondContact O-N 3.36Å; K34-E38 VanDerWaalsContact CE-OE1 3.23Å; K34-E38 WeakPolarHBondContact CE-OE1 3.49Å; K34-E38 PolarHBondContact O-N 3.04Å
35L96.8Very high95.2Very high19 Ų1967 Ų6710%0.09934%0.34CS..Hα-helixtrans-69-35.1-172.4-63.1170.1000112.6L31 W32 R37 E38 Y39 L190 M192 D196L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 2.79Å; W32-L35 PolarHBondContact O-N 3.37Å; L35-R37 PolarHBondContact O-N 3.08Å; L35-E38 WeakPolarHBondContact O-CB 3.22Å; L35-E38 PolarHBondContact O-N 2.89Å; L35-Y39 PolarHBondContact O-N 3.23Å; L35-L190 HydrophobicContact CB-CD2 3.71Å; L35-M192 HydrophobicContact CD1-CE 3.34Å; L35-M192 HydrophobicContact CD1-CG 4.3Å; L35-M192 HydrophobicContact CD1-SD 4Å; L35-D196 HydrophobicContact CD1-CB 4.02Å
36K96.6Very high95.3Very high31 Ų3168.5 Ų68.514%0.13535%0.346CS..Hα-helixtrans-63.4-40.4175.8-173.164.5170.570.40111.7W32 K34 E38 Y39 D40 L190W32-K36 HydrophobicContact CZ2-CD 4.21Å; W32-K36 WeakPolarHBondContact O-CB 3.49Å; W32-K36 PolarHBondContact O-N 3.36Å; K34-K36 PolarHBondContact O-N 3.5Å; K36-E38 VanDerWaalsContact C-N 3.34Å; K36-E38 PolarHBondContact O-N 2.67Å; K36-Y39 PolarHBondContact O-N 3.29Å; K36-D40 IonicContact NZ-OD1 3.91Å; K36-D40 PolarHBondContact NZ-OD1 3.02Å; K36-D40 IonicContact NZ-OD2 3.9Å; K36-D40 PolarHBondContact NZ-OD2 3.49Å; K36-D40 WeakPolarHBondContact O-CB 3.38Å; K36-D40 PolarHBondContact O-N 3.03Å; K36-L190 HydrophobicContact CD-CD1 4.35Å
37R96.4Very high95.3Very high180 Ų18066 Ų6668%0.67934%0.343SS*.Hα-helixtrans-62.8-40.6174.3-78.7-177.3-68169.3-1.2112.3N33 K34 L35 D40 G41N33-R37 VanDerWaalsContact O-CG 3.3Å; N33-R37 WeakPolarHBondContact O-CG 3.42Å; N33-R37 PolarHBondContact O-NE 3.41Å; K34-R37 PolarHBondContact O-N 3.36Å; L35-R37 PolarHBondContact O-N 3.08Å; R37-D40 PolarHBondContact O-N 2.92Å; R37-G41 PolarHBondContact O-N 2.96Å
38E95.5Very high95.4Very high110 Ų11066.4 Ų66.451%0.51434%0.342SS..Hα-helixtrans-62.6-45.5175.6-67171.8-167.400111K34 L35 K36 G41 F42K34-E38 VanDerWaalsContact CE-OE1 3.23Å; K34-E38 WeakPolarHBondContact CE-OE1 3.49Å; K34-E38 PolarHBondContact O-N 3.04Å; L35-E38 WeakPolarHBondContact O-CB 3.22Å; L35-E38 PolarHBondContact O-N 2.89Å; K36-E38 VanDerWaalsContact C-N 3.34Å; K36-E38 PolarHBondContact O-N 2.67Å; E38-G41 PolarHBondContact O-N 3.48Å; E38-F42 PolarHBondContact O-N 3.26Å
39Y94.7Very high95.4Very high52 Ų5269.2 Ų69.220%0.20436%0.362CS..Hα-helixtrans-64.1-43.1176.4177.4-97.9000113L35 K36 G41 F42 V43 L190L35-Y39 PolarHBondContact O-N 3.23Å; K36-Y39 PolarHBondContact O-N 3.29Å; Y39-G41 VanDerWaalsContact C-N 3.3Å; Y39-G41 PolarHBondContact O-N 3.05Å; Y39-F42 CarbonylContact O-C 3.59Å; Y39-F42 WeakPolarHBondContact O-CA 2.97Å; Y39-F42 WeakPolarHBondContact O-CB 3.46Å; Y39-F42 PolarHBondContact O-N 3.37Å; Y39-F42 VanDerWaalsContact O-N 3.1Å; Y39-V43 HydrophobicContact CD1-CG2 4.04Å; Y39-V43 HydrophobicContact CE1-CG2 3.54Å; Y39-V43 HydrophobicContact CE2-CG2 4.1Å; Y39-V43 WeakPolarHBondContact O-CG2 3.43Å; Y39-V43 PolarHBondContact O-N 2.82Å; Y39-L190 HydrophobicContact CD1-CD1 4.07Å; Y39-L190 HydrophobicContact CD2-CD1 4.08Å; Y39-L190 HydrophobicContact CG-CD1 3.58Å
40D94.3Very high95.5Very high70 Ų7072.1 Ų72.137%0.37439%0.385SS..Hα-helixtrans-65.6-36.3178.1-69.5-20.8000111.5K36 R37 V43 A44K36-D40 IonicContact NZ-OD1 3.91Å; K36-D40 PolarHBondContact NZ-OD1 3.02Å; K36-D40 IonicContact NZ-OD2 3.9Å; K36-D40 PolarHBondContact NZ-OD2 3.49Å; K36-D40 WeakPolarHBondContact O-CB 3.38Å; K36-D40 PolarHBondContact O-N 3.03Å; R37-D40 PolarHBondContact O-N 2.92Å; D40-V43 PolarHBondContact O-N 2.88Å; D40-A44 VanDerWaalsContact O-CB 3.31Å; D40-A44 WeakPolarHBondContact O-CB 3.43Å; D40-A44 PolarHBondContact O-N 2.86Å
41G95.8Very high95.5Very high44 Ų4467 Ų6745%0.45436%0.362SS..Hα-helixtrans-61.1-43.2169.500000112.4R37 E38 Y39 A44 S45R37-G41 PolarHBondContact O-N 2.96Å; E38-G41 PolarHBondContact O-N 3.48Å; Y39-G41 VanDerWaalsContact C-N 3.3Å; Y39-G41 PolarHBondContact O-N 3.05Å; G41-A44 PolarHBondContact O-N 3.43Å; G41-S45 PolarHBondContact O-N 2.75Å
42F95.1Very high95.6Very high97 Ų9769.9 Ų69.943%0.42538%0.375SS..Hα-helixtrans-60.7-50.3173.7167.9-96.4000111.6E38 Y39 A44 S45 Q46 W66E38-F42 PolarHBondContact O-N 3.26Å; Y39-F42 CarbonylContact O-C 3.59Å; Y39-F42 WeakPolarHBondContact O-CA 2.97Å; Y39-F42 WeakPolarHBondContact O-CB 3.46Å; Y39-F42 PolarHBondContact O-N 3.37Å; Y39-F42 VanDerWaalsContact O-N 3.1Å; F42-A44 VanDerWaalsContact C-N 3.31Å; F42-A44 PolarHBondContact O-N 2.94Å; F42-S45 WeakPolarHBondContact O-CB 3.45Å; F42-S45 PolarHBondContact O-N 2.96Å; F42-S45 PolarHBondContact O-OG 2.9Å; F42-Q46 HydrophobicContact CE1-CG 4.13Å; F42-Q46 HydrophobicContact CZ-CG 4.17Å; F42-Q46 VanDerWaalsContact CZ-NE2 3.28Å; F42-Q46 WeakPolarHBondContact O-CG 3.3Å; F42-Q46 PolarHBondContact O-N 3.36Å; F42-W66 AromaticContact CE1-CH2 3.87Å; F42-W66 HydrophobicContact CE1-CH2 3.87Å; F42-W66 HydrophobicContact CE1-CZ3 4.09Å; F42-W66 HydrophobicContact CZ-CH2 4.41Å
43V93.1Very high95.6Very high22 Ų2269.8 Ų69.813%0.13337%0.374CS..Hα-helixtrans-59.9-41.1178.7171.80000111.2Y39 D40 S45 Q46 R48 W66Y39-V43 HydrophobicContact CD1-CG2 4.04Å; Y39-V43 HydrophobicContact CE1-CG2 3.54Å; Y39-V43 HydrophobicContact CE2-CG2 4.1Å; Y39-V43 WeakPolarHBondContact O-CG2 3.43Å; Y39-V43 PolarHBondContact O-N 2.82Å; D40-V43 PolarHBondContact O-N 2.88Å; V43-S45 VanDerWaalsContact C-N 3.26Å; V43-S45 PolarHBondContact O-N 3.42Å; V43-Q46 PolarHBondContact O-N 3.36Å; V43-R48 PolarHBondContact O-NH1 2.93Å; V43-R48 PolarHBondContact O-NH2 3.22Å; V43-W66 HydrophobicContact CG1-CE3 4.31Å; V43-W66 HydrophobicContact CG2-CE3 4.27Å; V43-W66 HydrophobicContact CG2-CZ3 4.26Å
44A93.8Very high95.7Very high74 Ų7468.9 Ų68.961%0.61237%0.372SS*.Hα-helixtrans-64.7-29.8176.100000112.8D40 G41 F42D40-A44 VanDerWaalsContact O-CB 3.31Å; D40-A44 WeakPolarHBondContact O-CB 3.43Å; D40-A44 PolarHBondContact O-N 2.86Å; G41-A44 PolarHBondContact O-N 3.43Å; F42-A44 VanDerWaalsContact C-N 3.31Å; F42-A44 PolarHBondContact O-N 2.94Å
45S95.4Very high95.7Very high87 Ų8764.5 Ų64.561%0.60835%0.353SS*.Hα-helixtrans-78.2-14.6177.476.30000114.6G41 F42 V43G41-S45 PolarHBondContact O-N 2.75Å; F42-S45 WeakPolarHBondContact O-CB 3.45Å; F42-S45 PolarHBondContact O-N 2.96Å; F42-S45 PolarHBondContact O-OG 2.9Å; V43-S45 VanDerWaalsContact C-N 3.26Å; V43-S45 PolarHBondContact O-N 3.42Å
46Q95.3Very high95.5Very high45 Ų4568.7 Ų68.721%0.2138%0.381CS..SBendtrans-71146-178.4-64.2-55.2-58.900112.5F42 V43 R48 W66F42-Q46 HydrophobicContact CE1-CG 4.13Å; F42-Q46 HydrophobicContact CZ-CG 4.17Å; F42-Q46 VanDerWaalsContact CZ-NE2 3.28Å; F42-Q46 WeakPolarHBondContact O-CG 3.3Å; F42-Q46 PolarHBondContact O-N 3.36Å; V43-Q46 PolarHBondContact O-N 3.36Å; Q46-R48 PolarHBondContact O-NH1 3.49Å; Q46-W66 HydrophobicContact CB-CB 4Å; Q46-W66 VanDerWaalsContact CB-CD1 3.48Å; Q46-W66 HydrophobicContact CB-CD2 3.72Å; Q46-W66 HydrophobicContact CB-CE3 4.45Å; Q46-W66 HydrophobicContact CB-CG 3.47Å; Q46-W66 VanDerWaalsContact CB-CG 3.47Å; Q46-W66 HydrophobicContact CG-CD2 3.64Å; Q46-W66 HydrophobicContact CG-CE3 4.02Å; Q46-W66 HydrophobicContact CG-CG 3.98Å; Q46-W66 HydrophobicContact CG-CH2 4.38Å; Q46-W66 HydrophobicContact CG-CZ2 4.02Å; Q46-W66 HydrophobicContact CG-CZ3 4.37Å
47P93.3Very high95.4Very high80 Ų8072.7 Ų72.752%0.51941%0.405SS..  trans-69.3134.4179.628.4-34.4000112S49P47-S49 PolarHBondContact O-N 3.13Å
48R96.1Very high95.3Very high88 Ų8866.5 Ų66.533%0.33240%0.397SS..  trans-84.350.6176.2-57.3-49.1-170.7-121.816.3112.4V43 Q46 K64 A65 W66V43-R48 PolarHBondContact O-NH1 2.93Å; V43-R48 PolarHBondContact O-NH2 3.22Å; Q46-R48 PolarHBondContact O-NH1 3.49Å; R48-K64 HydrophobicContact CB-CB 4.47Å; R48-K64 HydrophobicContact CB-CD 4.42Å; R48-A65 WeakPolarHBondContact CD-O 3.49Å; R48-W66 PolarHBondContact NE-O 2.99Å; R48-W66 PolarHBondContact NH2-O 2.65Å
49S94.8Very high95.3Very high59 Ų5964.4 Ų64.441%0.41339%0.392SS..  trans-62.1144.2-179.5-60.30000111P47 V51 K64 A65P47-S49 PolarHBondContact O-N 3.13Å; S49-V51 PolarHBondContact O-N 2.99Å; S49-K64 CarbonylContact O-C 3.54Å; S49-K64 WeakPolarHBondContact O-CA 3.34Å; S49-A65 PolarHBondContact O-N 3.42Å
50P96.7Very high95.3Very high119 Ų11966.4 Ų66.477%0.77341%0.405SS*.EExtended strand (participates in β ladder)trans-57.4136.4172.4-2333.6000111.4G63P50-G63 WeakPolarHBondContact CA-O 3.45Å
51V96.4Very high95.4Very high6 Ų664.6 Ų64.64%0.03640%0.396CS..EExtended strand (participates in β ladder)trans-130.1148.5173.9-64.60000110.5S49 I53 G63 A65 F101 N104S49-V51 PolarHBondContact O-N 2.99Å; V51-I53 HydrophobicContact CG2-CD1 3.95Å; V51-G63 PolarHBondContact N-O 3.43Å; V51-G63 PolarHBondContact O-N 2.99Å; V51-A65 HydrophobicContact CG1-CB 3.75Å; V51-F101 HydrophobicContact CG2-CB 4.44Å; V51-N104 VanDerWaalsContact CA-OD1 3.29Å; V51-N104 WeakPolarHBondContact CA-OD1 3.43Å
52Q97.4Very high95.5Very high95 Ų9568.7 Ų68.744%0.44441%0.408SS..EExtended strand (participates in β ladder)trans-105.4125.7175.9-69.8-177.1-23.400110.3I60 N104 S105Q52-I60 HydrophobicContact CB-CG2 3.87Å; Q52-I60 HydrophobicContact CG-CG2 4.07Å; Q52-N104 PolarHBondContact N-OD1 3.41Å; Q52-N104 VanDerWaalsContact O-CA 3.31Å; Q52-N104 WeakPolarHBondContact O-CA 3.37Å; Q52-S105 PolarHBondContact O-N 3.2Å
53I98Very high95.5Very high0 Ų064.6 Ų64.60%039%0.393CS..EExtended strand (participates in β ladder)trans-106.3116.2178-59.989.6000109V51 I60 V61 F101 S105 L107V51-I53 HydrophobicContact CG2-CD1 3.95Å; I53-I60 CarbonylContact O-C 3.5Å; I53-I60 WeakPolarHBondContact O-CA 3.44Å; I53-V61 HydrophobicContact CB-CB 4.4Å; I53-V61 WeakPolarHBondContact CD1-O 3.26Å; I53-V61 PolarHBondContact N-O 3.42Å; I53-V61 PolarHBondContact O-N 3Å; I53-F101 HydrophobicContact CD1-CD2 4.19Å; I53-F101 HydrophobicContact CD1-CE2 4.43Å; I53-F101 HydrophobicContact CG1-CD1 4.36Å; I53-F101 HydrophobicContact CG1-CD2 3.88Å; I53-F101 HydrophobicContact CG1-CE1 4.32Å; I53-F101 HydrophobicContact CG1-CE2 3.86Å; I53-F101 HydrophobicContact CG1-CG 4.15Å; I53-F101 HydrophobicContact CG1-CZ 4.09Å; I53-F101 HydrophobicContact CG2-CE1 4.44Å; I53-F101 HydrophobicContact CG2-CZ 4.15Å; I53-S105 CarbonylContact C-O 3.53Å; I53-S105 VanDerWaalsContact CA-O 3.26Å; I53-S105 WeakPolarHBondContact CA-O 3.49Å; I53-L107 HydrophobicContact CG2-CB 3.49Å; I53-L107 VanDerWaalsContact CG2-CB 3.49Å; I53-L107 HydrophobicContact CG2-CD2 4.03Å; I53-L107 HydrophobicContact CG2-CG 4.4Å
54T97.8Very high95.7Very high58 Ų5868 Ų6836%0.35641%0.406SS..EExtended strand (participates in β ladder)trans-94.6122.1179.8-51.80000110.6S105 S106 L107T54-S105 PolarHBondContact N-O 3.17Å; T54-S106 CarbonylContact O-C 3.58Å; T54-S106 WeakPolarHBondContact O-CA 3.25Å; T54-L107 PolarHBondContact O-N 3.44Å
55L96.5Very high95.8Very high18 Ų1864.6 Ų64.69%0.09438%0.378CS..  trans-86.3166.1176.3-59.8-176.5000111.5D57 G58 T59 V61 V73 I77 L107L55-D57 VanDerWaalsContact CB-OD1 3.3Å; L55-D57 WeakPolarHBondContact CB-OD1 3.33Å; L55-D57 PolarHBondContact O-N 3.31Å; L55-G58 PolarHBondContact O-N 3.32Å; L55-T59 WeakPolarHBondContact CB-O 3.44Å; L55-T59 HydrophobicContact CD1-CG2 4.31Å; L55-T59 PolarHBondContact N-O 2.88Å; L55-V61 HydrophobicContact CD1-CG2 3.88Å; L55-V61 HydrophobicContact CG-CG2 4.18Å; L55-V73 HydrophobicContact CD2-CG1 4.16Å; L55-I77 HydrophobicContact CD1-CD1 3.65Å; L55-I77 HydrophobicContact CD1-CG1 4.22Å; L55-I77 HydrophobicContact CD2-CD1 4.14Å; L55-L107 HydrophobicContact CD2-CB 4.22Å; L55-L107 HydrophobicContact CD2-CD2 3.99Å; L55-L107 HydrophobicContact CD2-CG 4.35Å
56P93.4Very high95.9Very high107 Ų10762.2 Ų62.270%0.69536%0.356SS*.THydrogen-bonded Turntrans-66.1-23.8-174.5-24.337.7000114.6G58 L107 E108P56-G58 PolarHBondContact O-N 2.91Å; P56-L107 WeakPolarHBondContact CD-O 3.43Å; P56-E108 HydrophobicContact CG-CG 3.97Å
57D93.7Very high95.9Very high116 Ų11664.1 Ų64.162%0.6236%0.364SS*.THydrogen-bonded Turntrans-81.40.1174.666.1-13.2000112.9L55 T59L55-D57 VanDerWaalsContact CB-OD1 3.3Å; L55-D57 WeakPolarHBondContact CB-OD1 3.33Å; L55-D57 PolarHBondContact O-N 3.31Å; D57-T59 VanDerWaalsContact C-N 3.33Å; D57-T59 WeakPolarHBondContact OD1-CB 3.38Å; D57-T59 PolarHBondContact OD1-N 3.33Å; D57-T59 PolarHBondContact OD1-OG1 3.03Å; D57-T59 VanDerWaalsContact OD1-OG1 3.06Å; D57-T59 PolarHBondContact OD2-OG1 2.68Å
58G93.5Very high96.1Very high50 Ų5061.1 Ų61.152%0.51535%0.345SS..SBendtrans85.9-1.4-17600000114.2L55 P56 I60L55-G58 PolarHBondContact O-N 3.32Å; P56-G58 PolarHBondContact O-N 2.91Å; G58-I60 PolarHBondContact O-N 3.45Å
59T95.5Very high96.2Very high66 Ų6657.5 Ų57.541%0.40533%0.333SS..  trans-65133.8176.7-61.20000110.2L55 D57L55-T59 WeakPolarHBondContact CB-O 3.44Å; L55-T59 HydrophobicContact CD1-CG2 4.31Å; L55-T59 PolarHBondContact N-O 2.88Å; D57-T59 VanDerWaalsContact C-N 3.33Å; D57-T59 WeakPolarHBondContact OD1-CB 3.38Å; D57-T59 PolarHBondContact OD1-N 3.33Å; D57-T59 PolarHBondContact OD1-OG1 3.03Å; D57-T59 VanDerWaalsContact OD1-OG1 3.06Å; D57-T59 PolarHBondContact OD2-OG1 2.68Å
60I96.6Very high96.3Very high94 Ų9454.7 Ų54.748%0.48231%0.313SS..EExtended strand (participates in β ladder)trans-102.1127.1176.1-59.9174.8000109Q52 I53 G58Q52-I60 HydrophobicContact CB-CG2 3.87Å; Q52-I60 HydrophobicContact CG-CG2 4.07Å; I53-I60 CarbonylContact O-C 3.5Å; I53-I60 WeakPolarHBondContact O-CA 3.44Å; G58-I60 PolarHBondContact O-N 3.45Å
61V95.9Very high96.4Very high32 Ų3249.2 Ų49.219%0.19428%0.277CS..EExtended strand (participates in β ladder)trans-110.8127.1175.3-178.40000108.8I53 L55 V73I53-V61 HydrophobicContact CB-CB 4.4Å; I53-V61 WeakPolarHBondContact CD1-O 3.26Å; I53-V61 PolarHBondContact N-O 3.42Å; I53-V61 PolarHBondContact O-N 3Å; L55-V61 HydrophobicContact CD1-CG2 3.88Å; L55-V61 HydrophobicContact CG-CG2 4.18Å; V61-V73 HydrophobicContact CB-CG1 4.49Å; V61-V73 HydrophobicContact CG1-CG1 4.32Å; V61-V73 HydrophobicContact CG1-CG2 4.37Å; V61-V73 HydrophobicContact CG2-CG1 4.32Å
62D96.9Very high96.4Very high129 Ų12952.8 Ų52.869%0.6929%0.293SS*.EExtended strand (participates in β ladder)trans-75.6140.6174.7-67.2-42.7000111.1
63G96Very high96.4Very high11 Ų1148.3 Ų48.311%0.11327%0.273CS..EExtended strand (participates in β ladder)trans-147.5-173.8174.400000111.7P50 V51 T68P50-G63 WeakPolarHBondContact CA-O 3.45Å; V51-G63 PolarHBondContact N-O 3.43Å; V51-G63 PolarHBondContact O-N 2.99Å; G63-T68 WeakPolarHBondContact CA-OG1 3.32Å
64K97.2Very high96.3Very high93 Ų9348.3 Ų48.340%0.40427%0.273SS..EExtended strand (participates in β ladder)trans-124.5134.6174.4-65.1173.2-168.6164.80110.4R48 S49 E67 T68R48-K64 HydrophobicContact CB-CB 4.47Å; R48-K64 HydrophobicContact CB-CD 4.42Å; S49-K64 CarbonylContact O-C 3.54Å; S49-K64 WeakPolarHBondContact O-CA 3.34Å; K64-E67 HydrophobicContact CB-CB 4.1Å; K64-E67 VanDerWaalsContact CD-OE2 3.28Å; K64-E67 WeakPolarHBondContact CD-OE2 3.43Å; K64-E67 IonicContact NZ-OE1 3.61Å; K64-E67 PolarHBondContact NZ-OE1 3.45Å; K64-E67 IonicContact NZ-OE2 2.71Å; K64-E67 PolarHBondContact O-N 3.24Å; K64-T68 PolarHBondContact N-OG1 2.83Å; K64-T68 PolarHBondContact O-N 3.23Å
65A96.6Very high96.2Very high4 Ų451.6 Ų51.63%0.03328%0.282CS..THydrogen-bonded Turntrans-55.6139.2174.400000110.3R48 S49 V51 E67 F101R48-A65 WeakPolarHBondContact CD-O 3.49Å; S49-A65 PolarHBondContact O-N 3.42Å; V51-A65 HydrophobicContact CG1-CB 3.75Å; A65-E67 PolarHBondContact O-N 3.05Å; A65-E67 VanDerWaalsContact O-N 3.13Å; A65-F101 CarbonylContact C-O 3.36Å; A65-F101 VanDerWaalsContact CA-O 3.26Å; A65-F101 WeakPolarHBondContact CA-O 3.26Å
66W96Very high96.1Very high37 Ų3757.1 Ų57.114%0.1431%0.311CS..THydrogen-bonded Turntrans61.414.7177.9-55.993.9000115.3F42 V43 Q46 R48 F101 E102F42-W66 AromaticContact CE1-CH2 3.87Å; F42-W66 HydrophobicContact CE1-CH2 3.87Å; F42-W66 HydrophobicContact CE1-CZ3 4.09Å; F42-W66 HydrophobicContact CZ-CH2 4.41Å; V43-W66 HydrophobicContact CG1-CE3 4.31Å; V43-W66 HydrophobicContact CG2-CE3 4.27Å; V43-W66 HydrophobicContact CG2-CZ3 4.26Å; Q46-W66 HydrophobicContact CB-CB 4Å; Q46-W66 VanDerWaalsContact CB-CD1 3.48Å; Q46-W66 HydrophobicContact CB-CD2 3.72Å; Q46-W66 HydrophobicContact CB-CE3 4.45Å; Q46-W66 HydrophobicContact CB-CG 3.47Å; Q46-W66 VanDerWaalsContact CB-CG 3.47Å; Q46-W66 HydrophobicContact CG-CD2 3.64Å; Q46-W66 HydrophobicContact CG-CE3 4.02Å; Q46-W66 HydrophobicContact CG-CG 3.98Å; Q46-W66 HydrophobicContact CG-CH2 4.38Å; Q46-W66 HydrophobicContact CG-CZ2 4.02Å; Q46-W66 HydrophobicContact CG-CZ3 4.37Å; R48-W66 PolarHBondContact NE-O 2.99Å; R48-W66 PolarHBondContact NH2-O 2.65Å; W66-F101 PolarHBondContact N-O 3.46Å; W66-E102 HydrophobicContact CD2-CG 4.29Å; W66-E102 HydrophobicContact CE3-CG 4.39Å; W66-E102 HydrophobicContact CH2-CG 3.91Å; W66-E102 HydrophobicContact CZ2-CB 4.23Å; W66-E102 HydrophobicContact CZ2-CG 3.79Å; W66-E102 HydrophobicContact CZ3-CG 4.21Å
67E96.4Very high96Very high84 Ų8456 Ų5639%0.39330%0.299SS..THydrogen-bonded Turntrans-131.7-58.6177179.3179.8146.200110.6K64 A65K64-E67 HydrophobicContact CB-CB 4.1Å; K64-E67 VanDerWaalsContact CD-OE2 3.28Å; K64-E67 WeakPolarHBondContact CD-OE2 3.43Å; K64-E67 IonicContact NZ-OE1 3.61Å; K64-E67 PolarHBondContact NZ-OE1 3.45Å; K64-E67 IonicContact NZ-OE2 2.71Å; K64-E67 PolarHBondContact O-N 3.24Å; A65-E67 PolarHBondContact O-N 3.05Å; A65-E67 VanDerWaalsContact O-N 3.13Å
68T97.6Very high96Very high18 Ų1852.8 Ų52.811%0.1129%0.286CS..  trans-70134.6-176.1-570000111.6G63 K64 E72 V73 P100 F101G63-T68 WeakPolarHBondContact CA-OG1 3.32Å; K64-T68 PolarHBondContact N-OG1 2.83Å; K64-T68 PolarHBondContact O-N 3.23Å; T68-E72 WeakPolarHBondContact CA-OE2 3.46Å; T68-V73 HydrophobicContact CG2-CG2 4.06Å; T68-P100 CarbonylContact O-C 3.53Å; T68-P100 WeakPolarHBondContact O-CA 3.42Å; T68-F101 HydrophobicContact CG2-CD2 4.18Å; T68-F101 HydrophobicContact CG2-CE2 4.36Å; T68-F101 WeakPolarHBondContact O-CD2 3.11Å; T68-F101 PolarHBondContact O-N 3.25Å
69T97.7Very high96Very high12 Ų1257.8 Ų57.87%0.07429%0.293CS..  trans-115.1156.8-178.964.70000112.8M71 E72 V73 L98 P100 F101T69-M71 PolarHBondContact O-N 3.07Å; T69-E72 PolarHBondContact N-OE2 3.22Å; T69-E72 PolarHBondContact O-N 2.64Å; T69-E72 VanDerWaalsContact O-N 3.09Å; T69-E72 WeakPolarHBondContact OG1-CG 3.41Å; T69-E72 PolarHBondContact OG1-N 2.81Å; T69-V73 PolarHBondContact O-N 2.97Å; T69-L98 WeakPolarHBondContact CG2-O 3.46Å; T69-P100 HydrophobicContact CG2-CB 4.35Å; T69-F101 VanDerWaalsContact C-CE2 3.48Å
70P97.8Very high95.9Very high0 Ų058.7 Ų58.70%030%0.298CS..Hα-helixtrans-53.5-35.5171.1-26.932.9000113.6V73 A74 A88 V90 L97 R99 F101 L107P70-V73 PolarHBondContact O-N 3.28Å; P70-A74 WeakPolarHBondContact O-CB 3.42Å; P70-A74 PolarHBondContact O-N 2.92Å; P70-A88 HydrophobicContact CB-CB 3.59Å; P70-A88 HydrophobicContact CG-CB 3.87Å; P70-V90 HydrophobicContact CG-CG2 4.3Å; P70-L97 HydrophobicContact CB-CD2 4.22Å; P70-L97 WeakPolarHBondContact CD-O 3.32Å; P70-R99 WeakPolarHBondContact CD-O 3.26Å; P70-F101 HydrophobicContact CB-CZ 4.13Å; P70-F101 HydrophobicContact CG-CE1 4.08Å; P70-F101 HydrophobicContact CG-CE2 4.17Å; P70-F101 HydrophobicContact CG-CZ 3.62Å; P70-L107 HydrophobicContact CB-CD1 3.84Å; P70-L107 HydrophobicContact CG-CD1 4.27Å
71M97.1Very high95.7Very high4 Ų456.9 Ų56.92%0.0229%0.289CS..Hα-helixtrans-64.3-39.2176.7178.256.444.200112.8T69 A74 K75 A82 A85 L97 L98 R238T69-M71 PolarHBondContact O-N 3.07Å; M71-A74 PolarHBondContact O-N 3.21Å; M71-K75 HydrophobicContact CG-CD 4.38Å; M71-K75 WeakPolarHBondContact O-CB 3.46Å; M71-K75 VanDerWaalsContact O-CG 3.27Å; M71-K75 WeakPolarHBondContact O-CG 3.36Å; M71-K75 PolarHBondContact O-N 3.46Å; M71-K75 HydrophobicContact SD-CD 4.41Å; M71-K75 HydrophobicContact SD-CG 4.26Å; M71-A82 HydrophobicContact SD-CB 4.1Å; M71-A85 HydrophobicContact CE-CB 4.33Å; M71-L97 HydrophobicContact CB-CB 4.24Å; M71-L97 WeakPolarHBondContact CB-O 3.41Å; M71-L97 HydrophobicContact CE-CB 3.84Å; M71-L97 HydrophobicContact CE-CD1 3.65Å; M71-L97 HydrophobicContact CE-CD2 4.24Å; M71-L97 HydrophobicContact CE-CG 4.13Å; M71-L97 PolarHBondContact N-O 2.94Å; M71-L98 HydrophobicContact CB-CD2 3.88Å; M71-L98 HydrophobicContact CG-CD2 3.94Å; M71-R238 HydrophobicContact CE-CG 4.33Å
72E96.9Very high95.6Very high80 Ų8055.6 Ų55.637%0.37428%0.282SS..Hα-helixtrans-65.4-45.3175.4-74.7166.2-167.200111.3T68 T69 A74 K75 N76T68-E72 WeakPolarHBondContact CA-OE2 3.46Å; T69-E72 PolarHBondContact N-OE2 3.22Å; T69-E72 PolarHBondContact O-N 2.64Å; T69-E72 VanDerWaalsContact O-N 3.09Å; T69-E72 WeakPolarHBondContact OG1-CG 3.41Å; T69-E72 PolarHBondContact OG1-N 2.81Å; E72-A74 VanDerWaalsContact C-N 3.33Å; E72-A74 PolarHBondContact O-N 3.45Å; E72-K75 PolarHBondContact O-N 3.45Å; E72-N76 VanDerWaalsContact O-CG 3.27Å; E72-N76 PolarHBondContact O-N 3.27Å; E72-N76 PolarHBondContact O-ND2 2.84Å
73V96.7Very high95.4Very high2 Ų254.4 Ų54.41%0.01227%0.273CS..Hα-helixtrans-59.6-45.8174.9179.80000110.3L55 V61 T68 T69 P70 K75 N76 I77 F101 L107L55-V73 HydrophobicContact CD2-CG1 4.16Å; V61-V73 HydrophobicContact CB-CG1 4.49Å; V61-V73 HydrophobicContact CG1-CG1 4.32Å; V61-V73 HydrophobicContact CG1-CG2 4.37Å; V61-V73 HydrophobicContact CG2-CG1 4.32Å; T68-V73 HydrophobicContact CG2-CG2 4.06Å; T69-V73 PolarHBondContact O-N 2.97Å; P70-V73 PolarHBondContact O-N 3.28Å; V73-K75 VanDerWaalsContact C-N 3.35Å; V73-K75 PolarHBondContact O-N 3.48Å; V73-N76 PolarHBondContact O-N 2.97Å; V73-I77 HydrophobicContact CG1-CD1 4Å; V73-I77 WeakPolarHBondContact O-CG1 3.5Å; V73-I77 PolarHBondContact O-N 2.7Å; V73-F101 HydrophobicContact CG2-CE2 4.01Å; V73-L107 HydrophobicContact CB-CD2 3.86Å; V73-L107 HydrophobicContact CG1-CD2 3.62Å; V73-L107 HydrophobicContact CG2-CD2 4.42Å
74A95.8Very high95.3Very high0 Ų059.4 Ų59.40%029%0.293CS..Hα-helixtrans-56.9-45.6176.700000112.4P70 M71 E72 N76 I77 S78 L81 A82 I109P70-A74 WeakPolarHBondContact O-CB 3.42Å; P70-A74 PolarHBondContact O-N 2.92Å; M71-A74 PolarHBondContact O-N 3.21Å; E72-A74 VanDerWaalsContact C-N 3.33Å; E72-A74 PolarHBondContact O-N 3.45Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 3.19Å; A74-I77 PolarHBondContact O-N 3.45Å; A74-S78 PolarHBondContact O-N 3.2Å; A74-L81 HydrophobicContact CB-CG 4.47Å; A74-A82 HydrophobicContact CB-CB 4.04Å; A74-I109 HydrophobicContact CB-CD1 3.53Å
75K96.1Very high95.2Very high126 Ų12655.3 Ų55.355%0.54828%0.276SS..Hα-helixtrans-63.5-38.5179-76171.8-179.2173.80112M71 E72 V73 A82M71-K75 HydrophobicContact CG-CD 4.38Å; M71-K75 WeakPolarHBondContact O-CB 3.46Å; M71-K75 VanDerWaalsContact O-CG 3.27Å; M71-K75 WeakPolarHBondContact O-CG 3.36Å; M71-K75 PolarHBondContact O-N 3.46Å; M71-K75 HydrophobicContact SD-CD 4.41Å; M71-K75 HydrophobicContact SD-CG 4.26Å; E72-K75 PolarHBondContact O-N 3.45Å; V73-K75 VanDerWaalsContact C-N 3.35Å; V73-K75 PolarHBondContact O-N 3.48Å; K75-A82 HydrophobicContact CB-CB 4.23Å; K75-A82 HydrophobicContact CG-CB 3.5Å; K75-A82 VanDerWaalsContact CG-CB 3.5Å
76N94.3Very high95.3Very high134 Ų13455.7 Ų55.772%0.71728%0.278SS*.Hα-helixtrans-70.3-32.1178.5-69-17.2000112.3E72 V73 A74E72-N76 VanDerWaalsContact O-CG 3.27Å; E72-N76 PolarHBondContact O-N 3.27Å; E72-N76 PolarHBondContact O-ND2 2.84Å; V73-N76 PolarHBondContact O-N 2.97Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 3.19Å
77I92.9Very high95.3Very high84 Ų8453.9 Ų53.943%0.43127%0.271SS..Hα-helixtrans-70.4-58.4173.1-64.7164.2000110L55 V73 A74 L81L55-I77 HydrophobicContact CD1-CD1 3.65Å; L55-I77 HydrophobicContact CD1-CG1 4.22Å; L55-I77 HydrophobicContact CD2-CD1 4.14Å; V73-I77 HydrophobicContact CG1-CD1 4Å; V73-I77 WeakPolarHBondContact O-CG1 3.5Å; V73-I77 PolarHBondContact O-N 2.7Å; A74-I77 PolarHBondContact O-N 3.45Å; I77-L81 HydrophobicContact CB-CD2 4.1Å; I77-L81 HydrophobicContact CD1-CD2 4.12Å; I77-L81 HydrophobicContact CG2-CD2 3.89Å
78S93.7Very high95.4Very high49 Ų4949.9 Ų49.934%0.34325%0.253SS..  trans-162.6147.4171.872.90000112.4A74 T80 L81 A82A74-S78 PolarHBondContact O-N 3.2Å; S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.35Å; S78-L81 PolarHBondContact O-N 3.19Å; S78-L81 WeakPolarHBondContact OG-CB 3.18Å; S78-L81 PolarHBondContact OG-N 2.92Å; S78-L81 VanDerWaalsContact OG-N 3.1Å; S78-A82 PolarHBondContact O-N 2.96Å
79K92.8Very high95.4Very high154 Ų15451.5 Ų51.567%0.6726%0.258SS*.Hα-helixtrans-57.1-41.6173.9-175.6175.4172.6179.50112.2A82 E83K79-A82 PolarHBondContact O-N 2.91Å; K79-E83 WeakPolarHBondContact CE-OE1 3.32Å; K79-E83 HydrophobicContact CG-CG 4.43Å; K79-E83 IonicContact NZ-OE1 3.14Å; K79-E83 WeakPolarHBondContact O-CB 3.22Å; K79-E83 VanDerWaalsContact O-CG 3.31Å; K79-E83 WeakPolarHBondContact O-CG 3.23Å; K79-E83 PolarHBondContact O-N 3.47Å
80T93.1Very high95.4Very high85 Ų8551.1 Ų51.152%0.52126%0.255SS..Hα-helixtrans-66.3-38-178.9-54.30000112.8S78 H84S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.35Å; T80-H84 PolarHBondContact O-N 2.82Å; T80-H84 PolarHBondContact O-ND1 2.86Å
81L92.7Very high95.4Very high56 Ų5654.8 Ų54.829%0.29328%0.275SS..Hα-helixtrans-63.4-48.9174.2178.564.2000110.4A74 I77 S78 E83 H84 A85 I109A74-L81 HydrophobicContact CB-CG 4.47Å; I77-L81 HydrophobicContact CB-CD2 4.1Å; I77-L81 HydrophobicContact CD1-CD2 4.12Å; I77-L81 HydrophobicContact CG2-CD2 3.89Å; S78-L81 PolarHBondContact O-N 3.19Å; S78-L81 WeakPolarHBondContact OG-CB 3.18Å; S78-L81 PolarHBondContact OG-N 2.92Å; S78-L81 VanDerWaalsContact OG-N 3.1Å; L81-E83 VanDerWaalsContact C-N 3.3Å; L81-E83 PolarHBondContact O-N 3.45Å; L81-H84 PolarHBondContact O-N 3.1Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 2.74Å; L81-I109 HydrophobicContact CD1-CB 4.35Å; L81-I109 HydrophobicContact CD1-CG2 3.96Å; L81-I109 HydrophobicContact CD2-CD1 3.88Å; L81-I109 HydrophobicContact CG-CD1 4.35Å; L81-I109 HydrophobicContact CG-CG2 4.33Å
82A93.3Very high95.3Very high5 Ų556.8 Ų56.84%0.04130%0.297CS..Hα-helixtrans-62.1-35.5179.100000113.4M71 A74 K75 S78 K79 R238M71-A82 HydrophobicContact SD-CB 4.1Å; A74-A82 HydrophobicContact CB-CB 4.04Å; K75-A82 HydrophobicContact CB-CB 4.23Å; K75-A82 HydrophobicContact CG-CB 3.5Å; K75-A82 VanDerWaalsContact CG-CB 3.5Å; S78-A82 PolarHBondContact O-N 2.96Å; K79-A82 PolarHBondContact O-N 2.91Å; A82-R238 PolarHBondContact O-NH2 2.72Å
83E92.4Very high95.3Very high105 Ų10559.2 Ų59.249%0.49131%0.308SS..Hα-helixtrans-67.5-42178-78.6174.1175.400112.6K79 L81 R238K79-E83 WeakPolarHBondContact CE-OE1 3.32Å; K79-E83 HydrophobicContact CG-CG 4.43Å; K79-E83 IonicContact NZ-OE1 3.14Å; K79-E83 WeakPolarHBondContact O-CB 3.22Å; K79-E83 VanDerWaalsContact O-CG 3.31Å; K79-E83 WeakPolarHBondContact O-CG 3.23Å; K79-E83 PolarHBondContact O-N 3.47Å; L81-E83 VanDerWaalsContact C-N 3.3Å; L81-E83 PolarHBondContact O-N 3.45Å; E83-R238 PolarHBondContact O-NH2 3.3Å
84H93.7Very high95.3Very high116 Ų11661.6 Ų61.654%0.53732%0.321SS..Hα-helixtrans-91.6-6-178.5-62.4115.2000114.4T80 L81 V86 N111T80-H84 PolarHBondContact O-N 2.82Å; T80-H84 PolarHBondContact O-ND1 2.86Å; L81-H84 PolarHBondContact O-N 3.1Å; H84-V86 PolarHBondContact O-N 2.98Å; H84-N111 HydrophobicContact CB-CB 4.45Å; H84-N111 WeakPolarHBondContact O-CA 3.41Å; H84-N111 WeakPolarHBondContact O-CB 3.47Å
85A96.5Very high95.4Very high6 Ų662.5 Ų62.55%0.0532%0.324CS..  trans-60.8123.1176.300000110.6M71 L81 L97 I109M71-A85 HydrophobicContact CE-CB 4.33Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 2.74Å; A85-L97 HydrophobicContact CB-CD1 3.8Å; A85-L97 HydrophobicContact CB-CD2 4.1Å; A85-L97 WeakPolarHBondContact O-CD1 3.46Å; A85-I109 HydrophobicContact CB-CG2 3.56Å
86V97Very high95.4Very high12 Ų1257.3 Ų57.37%0.07330%0.302CS..  trans-98.2-47.1175173.80000109.8H84 L97 Y110 F112 G117 V120 F121 V237H84-V86 PolarHBondContact O-N 2.98Å; V86-L97 WeakPolarHBondContact O-CD1 3.38Å; V86-Y110 PolarHBondContact N-O 3.44Å; V86-F112 HydrophobicContact CG2-CB 4.13Å; V86-G117 WeakPolarHBondContact CG1-O 3.43Å; V86-V120 HydrophobicContact CG1-CG1 4.48Å; V86-F121 HydrophobicContact CG1-CB 4.09Å; V86-F121 HydrophobicContact CG1-CD2 4.33Å; V86-F121 HydrophobicContact CG2-CD2 4.33Å; V86-V237 HydrophobicContact CG1-CG1 3.96Å
87I97.6Very high95.6Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-149158.7-179-16459.5000112.2L94 W95 Y110 V120 P235I87-L94 HydrophobicContact CG2-CD2 4.48Å; I87-W95 WeakPolarHBondContact CD1-O 3.39Å; I87-Y110 HydrophobicContact CG2-CD2 4.29Å; I87-Y110 PolarHBondContact N-O 2.87Å; I87-Y110 VanDerWaalsContact N-O 3.16Å; I87-Y110 PolarHBondContact O-N 3.26Å; I87-V120 HydrophobicContact CB-CB 4.35Å; I87-V120 HydrophobicContact CB-CG1 4.16Å; I87-V120 HydrophobicContact CB-CG2 4.29Å; I87-V120 HydrophobicContact CD1-CG1 4.16Å; I87-V120 HydrophobicContact CG1-CG1 4.25Å; I87-V120 HydrophobicContact CG1-CG2 4.08Å; I87-V120 HydrophobicContact CG2-CG2 4.31Å; I87-P235 HydrophobicContact CD1-CB 3.54Å; I87-P235 HydrophobicContact CD1-CG 3.34Å; I87-P235 HydrophobicContact CG1-CB 4.47Å; I87-P235 HydrophobicContact CG1-CG 3.74Å
88A97.8Very high95.7Very high0 Ų051.6 Ų51.60%027%0.272CS..EExtended strand (participates in β ladder)trans-104.7156167.900000111.5P70 V90 W95 L97 L107 E108P70-A88 HydrophobicContact CB-CB 3.59Å; P70-A88 HydrophobicContact CG-CB 3.87Å; A88-V90 HydrophobicContact CB-CG2 4.35Å; A88-W95 HydrophobicContact CB-CB 4.48Å; A88-W95 PolarHBondContact N-O 3.23Å; A88-W95 PolarHBondContact O-N 2.94Å; A88-L97 HydrophobicContact CB-CD2 3.97Å; A88-L107 HydrophobicContact CB-CD1 3.71Å; A88-E108 CarbonylContact C-O 3.54Å; A88-E108 VanDerWaalsContact CA-O 3.26Å; A88-E108 WeakPolarHBondContact CA-O 3.31Å
89K97.7Very high95.8Very high52 Ų5251.5 Ų51.523%0.22626%0.264CS..EExtended strand (participates in β ladder)trans-117.3121165.1-166.1178.2-170.7167.10108.2G92 E93 L107 E108 Y110K89-G92 WeakPolarHBondContact CE-O 3.22Å; K89-E93 CarbonylContact C-O 3.57Å; K89-E93 VanDerWaalsContact CA-O 3.27Å; K89-E93 WeakPolarHBondContact CA-O 3.18Å; K89-L107 WeakPolarHBondContact O-CA 3.41Å; K89-E108 HydrophobicContact CB-CB 4.16Å; K89-E108 PolarHBondContact N-O 2.89Å; K89-E108 PolarHBondContact O-N 2.91Å; K89-Y110 HydrophobicContact CB-CE2 3.92Å; K89-Y110 HydrophobicContact CD-CE2 3.88Å; K89-Y110 VanDerWaalsContact CD-OH 3.28Å; K89-Y110 WeakPolarHBondContact CD-OH 3.44Å
90V97.8Very high96Very high3 Ų345.2 Ų45.22%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-121.7118.9-173.9179.50000108.3P70 A88 G92 E93 W95 F101 S106 L107P70-V90 HydrophobicContact CG-CG2 4.3Å; A88-V90 HydrophobicContact CB-CG2 4.35Å; V90-G92 PolarHBondContact O-N 2.9Å; V90-E93 PolarHBondContact N-O 3.4Å; V90-E93 PolarHBondContact O-N 2.98Å; V90-W95 HydrophobicContact CB-CB 3.9Å; V90-W95 HydrophobicContact CB-CD2 3.98Å; V90-W95 HydrophobicContact CB-CE3 4.19Å; V90-W95 HydrophobicContact CB-CG 3.89Å; V90-W95 HydrophobicContact CG1-CD2 4.41Å; V90-W95 HydrophobicContact CG2-CB 3.59Å; V90-W95 HydrophobicContact CG2-CD2 4.14Å; V90-W95 HydrophobicContact CG2-CG 3.59Å; V90-F101 HydrophobicContact CG1-CD1 3.92Å; V90-F101 HydrophobicContact CG1-CE1 3.91Å; V90-F101 HydrophobicContact CG2-CD1 4.4Å; V90-F101 HydrophobicContact CG2-CE1 3.71Å; V90-S106 VanDerWaalsContact CA-O 3.3Å; V90-S106 WeakPolarHBondContact CA-O 3.15Å; V90-L107 HydrophobicContact CG2-CD1 4.08Å
91N97.1Very high96.2Very high77 Ų7741.1 Ų41.141%0.41221%0.214SC..THydrogen-bonded Turntrans53.133.8-175.7-58.1-43.1000114.1S105 S106N91-S105 WeakPolarHBondContact ND2-CB 3.29Å; N91-S105 PolarHBondContact ND2-OG 2.84Å; N91-S105 WeakPolarHBondContact OD1-CA 3.41Å; N91-S106 WeakPolarHBondContact CA-OG 3.29Å; N91-S106 PolarHBondContact N-O 2.91Å; N91-S106 PolarHBondContact N-OG 3.37Å; N91-S106 PolarHBondContact OD1-N 3.34Å
92G95Very high96.3Very high47 Ų4741.8 Ų41.849%0.48522%0.216SC..THydrogen-bonded Turntrans88-7-179.100000115.3K89 V90K89-G92 WeakPolarHBondContact CE-O 3.22Å; V90-G92 PolarHBondContact O-N 2.9Å
93E96.2Very high96.5Very high130 Ų13048 Ų4861%0.60724%0.242SC*.EExtended strand (participates in β ladder)trans-106.5142.9-179.2-63.5-177.8172.900111.8K89 V90K89-E93 CarbonylContact C-O 3.57Å; K89-E93 VanDerWaalsContact CA-O 3.27Å; K89-E93 WeakPolarHBondContact CA-O 3.18Å; V90-E93 PolarHBondContact N-O 3.4Å; V90-E93 PolarHBondContact O-N 2.98Å
94L97.2Very high96.7Very high53 Ų5347.4 Ų47.428%0.27724%0.242SC..EExtended strand (participates in β ladder)trans-67.2136.4174.6-62.2-179.8000110.7I87 D116 V120 P235I87-L94 HydrophobicContact CG2-CD2 4.48Å; L94-D116 HydrophobicContact CD1-CB 4.34Å; L94-D116 HydrophobicContact CD2-CB 3.84Å; L94-V120 HydrophobicContact CD1-CG2 4.07Å; L94-P235 HydrophobicContact CB-CG 3.67Å
95W97.4Very high96.9Very high18 Ų1842.2 Ų42.27%0.06822%0.219CC..EExtended strand (participates in β ladder)trans-144.2130-165.3-162.7-86.7000111.8I87 A88 V90 L97 R99 P100I87-W95 WeakPolarHBondContact CD1-O 3.39Å; A88-W95 HydrophobicContact CB-CB 4.48Å; A88-W95 PolarHBondContact N-O 3.23Å; A88-W95 PolarHBondContact O-N 2.94Å; V90-W95 HydrophobicContact CB-CB 3.9Å; V90-W95 HydrophobicContact CB-CD2 3.98Å; V90-W95 HydrophobicContact CB-CE3 4.19Å; V90-W95 HydrophobicContact CB-CG 3.89Å; V90-W95 HydrophobicContact CG1-CD2 4.41Å; V90-W95 HydrophobicContact CG2-CB 3.59Å; V90-W95 HydrophobicContact CG2-CD2 4.14Å; V90-W95 HydrophobicContact CG2-CG 3.59Å; W95-L97 PolarHBondContact O-N 2.95Å; W95-R99 HydrophobicContact CD2-CG 4.43Å; W95-R99 VanDerWaalsContact CH2-NE 3.32Å; W95-R99 VanDerWaalsContact CZ2-CD 3.46Å; W95-R99 HydrophobicContact CZ2-CG 3.71Å; W95-R99 VanDerWaalsContact NE1-CG 3.33Å; W95-R99 PolarHBondContact NE1-O 2.86Å; W95-P100 WeakPolarHBondContact CZ2-O 3.43Å
96D97.6Very high96.9Very high17 Ų1744.2 Ų44.29%0.09123%0.233CC..  trans-58.8137.8179.8-50.8-87.5000111.1L98 R99 Y223 P235 H236D96-L98 PolarHBondContact O-N 3.27Å; D96-R99 HydrophobicContact CB-CB 3.94Å; D96-R99 WeakPolarHBondContact O-CB 3.41Å; D96-R99 PolarHBondContact O-N 2.99Å; D96-Y223 VanDerWaalsContact OD1-CE1 3.32Å; D96-Y223 WeakPolarHBondContact OD1-CE1 3.43Å; D96-Y223 PolarHBondContact OD1-OH 3.29Å; D96-Y223 PolarHBondContact OD2-OH 3.41Å; D96-P235 HydrophobicContact CB-CB 4.46Å; D96-P235 WeakPolarHBondContact OD1-CA 3.47Å; D96-P235 VanDerWaalsContact OD1-CB 3.24Å; D96-P235 WeakPolarHBondContact OD1-CB 2.91Å; D96-H236 PolarHBondContact OD1-N 3.47Å; D96-H236 VanDerWaalsContact OD1-N 3.09Å
97L97.4Very high97Very high3 Ų343.8 Ų43.82%0.01623%0.23CC..THydrogen-bonded Turntrans-60.5-23.8-177-72.4166.9000113.6P70 M71 A85 V86 A88 W95 R238P70-L97 HydrophobicContact CB-CD2 4.22Å; P70-L97 WeakPolarHBondContact CD-O 3.32Å; M71-L97 HydrophobicContact CB-CB 4.24Å; M71-L97 WeakPolarHBondContact CB-O 3.41Å; M71-L97 HydrophobicContact CE-CB 3.84Å; M71-L97 HydrophobicContact CE-CD1 3.65Å; M71-L97 HydrophobicContact CE-CD2 4.24Å; M71-L97 HydrophobicContact CE-CG 4.13Å; M71-L97 PolarHBondContact N-O 2.94Å; A85-L97 HydrophobicContact CB-CD1 3.8Å; A85-L97 HydrophobicContact CB-CD2 4.1Å; A85-L97 WeakPolarHBondContact O-CD1 3.46Å; V86-L97 WeakPolarHBondContact O-CD1 3.38Å; A88-L97 HydrophobicContact CB-CD2 3.97Å; W95-L97 PolarHBondContact O-N 2.95Å; L97-R238 HydrophobicContact CB-CG 4.31Å; L97-R238 HydrophobicContact CD1-CG 4.27Å
98L96.3Very high97Very high96 Ų9647.1 Ų47.150%0.50325%0.245SC..THydrogen-bonded Turntrans-101.6-0.7178.9-57.9179.4000113.2T69 M71 D96 R238T69-L98 WeakPolarHBondContact CG2-O 3.46Å; M71-L98 HydrophobicContact CB-CD2 3.88Å; M71-L98 HydrophobicContact CG-CD2 3.94Å; D96-L98 PolarHBondContact O-N 3.27Å; L98-R238 HydrophobicContact CD1-CG 4.41Å; L98-R238 HydrophobicContact CG-CG 4.32Å
99R95.6Very high97Very high46 Ų4648.6 Ų48.617%0.17425%0.253CS..SBendtrans-79.1123.3175.2179-179.6175.6-165.9-2.8108.6P70 W95 D96 E102P70-R99 WeakPolarHBondContact CD-O 3.26Å; W95-R99 HydrophobicContact CD2-CG 4.43Å; W95-R99 VanDerWaalsContact CH2-NE 3.32Å; W95-R99 VanDerWaalsContact CZ2-CD 3.46Å; W95-R99 HydrophobicContact CZ2-CG 3.71Å; W95-R99 VanDerWaalsContact NE1-CG 3.33Å; W95-R99 PolarHBondContact NE1-O 2.86Å; D96-R99 HydrophobicContact CB-CB 3.94Å; D96-R99 WeakPolarHBondContact O-CB 3.41Å; D96-R99 PolarHBondContact O-N 2.99Å; R99-E102 IonicContact CZ-OE1 3.63Å; R99-E102 IonicContact NE-OE1 3.38Å; R99-E102 IonicContact NH2-OE1 2.79Å; R99-E102 PolarHBondContact NH2-OE1 3.28Å
100P96.7Very high96.9Very high22 Ų2247.3 Ų47.314%0.14325%0.247CC..PPolyproline II helixtrans-68.5153.9-176.228.7-35.4000111.9T68 T69 W95T68-P100 CarbonylContact O-C 3.53Å; T68-P100 WeakPolarHBondContact O-CA 3.42Å; T69-P100 HydrophobicContact CG2-CB 4.35Å; W95-P100 WeakPolarHBondContact CZ2-O 3.43Å
101F97.2Very high96.9Very high0 Ų050.1 Ų50.10%026%0.262CS..PPolyproline II helixtrans-68.4138.4170.3-62.2-75.5000110.2V51 I53 A65 W66 T68 T69 P70 V73 V90 L107V51-F101 HydrophobicContact CG2-CB 4.44Å; I53-F101 HydrophobicContact CD1-CD2 4.19Å; I53-F101 HydrophobicContact CD1-CE2 4.43Å; I53-F101 HydrophobicContact CG1-CD1 4.36Å; I53-F101 HydrophobicContact CG1-CD2 3.88Å; I53-F101 HydrophobicContact CG1-CE1 4.32Å; I53-F101 HydrophobicContact CG1-CE2 3.86Å; I53-F101 HydrophobicContact CG1-CG 4.15Å; I53-F101 HydrophobicContact CG1-CZ 4.09Å; I53-F101 HydrophobicContact CG2-CE1 4.44Å; I53-F101 HydrophobicContact CG2-CZ 4.15Å; A65-F101 CarbonylContact C-O 3.36Å; A65-F101 VanDerWaalsContact CA-O 3.26Å; A65-F101 WeakPolarHBondContact CA-O 3.26Å; W66-F101 PolarHBondContact N-O 3.46Å; T68-F101 HydrophobicContact CG2-CD2 4.18Å; T68-F101 HydrophobicContact CG2-CE2 4.36Å; T68-F101 WeakPolarHBondContact O-CD2 3.11Å; T68-F101 PolarHBondContact O-N 3.25Å; T69-F101 VanDerWaalsContact C-CE2 3.48Å; P70-F101 HydrophobicContact CB-CZ 4.13Å; P70-F101 HydrophobicContact CG-CE1 4.08Å; P70-F101 HydrophobicContact CG-CE2 4.17Å; P70-F101 HydrophobicContact CG-CZ 3.62Å; V73-F101 HydrophobicContact CG2-CE2 4.01Å; V90-F101 HydrophobicContact CG1-CD1 3.92Å; V90-F101 HydrophobicContact CG1-CE1 3.91Å; V90-F101 HydrophobicContact CG2-CD1 4.4Å; V90-F101 HydrophobicContact CG2-CE1 3.71Å; F101-L107 HydrophobicContact CE1-CD1 4.43Å; F101-L107 HydrophobicContact CZ-CB 4.46Å; F101-L107 HydrophobicContact CZ-CD1 4.14Å; F101-L107 HydrophobicContact CZ-CD2 4.06Å; F101-L107 HydrophobicContact CZ-CG 4.44Å
102E95.7Very high96.8Very high69 Ų6946.9 Ų46.932%0.32224%0.244SC..  trans-99.3-18.5-179.5-62.3168.9-160.100112.2W66 R99W66-E102 HydrophobicContact CD2-CG 4.29Å; W66-E102 HydrophobicContact CE3-CG 4.39Å; W66-E102 HydrophobicContact CH2-CG 3.91Å; W66-E102 HydrophobicContact CZ2-CB 4.23Å; W66-E102 HydrophobicContact CZ2-CG 3.79Å; W66-E102 HydrophobicContact CZ3-CG 4.21Å; R99-E102 IonicContact CZ-OE1 3.63Å; R99-E102 IonicContact NE-OE1 3.38Å; R99-E102 IonicContact NH2-OE1 2.79Å; R99-E102 PolarHBondContact NH2-OE1 3.28Å
103K95.9Very high96.8Very high136 Ų13649.2 Ų49.259%0.59125%0.246SC*.SBendtrans-161.5175.3-174.358.7-175.5-179.9-173.20110.4S105K103-S105 PolarHBondContact O-N 2.97Å; K103-S105 PolarHBondContact O-OG 3.1Å
104N97.5Very high96.8Very high92 Ų9246.2 Ų46.249%0.49223%0.232SC..SBendtrans-49.8131.5168.9-67.7-2.7000109.8V51 Q52V51-N104 VanDerWaalsContact CA-OD1 3.29Å; V51-N104 WeakPolarHBondContact CA-OD1 3.43Å; Q52-N104 PolarHBondContact N-OD1 3.41Å; Q52-N104 VanDerWaalsContact O-CA 3.31Å; Q52-N104 WeakPolarHBondContact O-CA 3.37Å
105S97.7Very high96.6Very high8 Ų851 Ų516%0.05625%0.25CS..EExtended strand (participates in β ladder)trans-147.6152.5-170.3-61.60000112.8Q52 I53 T54 N91 K103Q52-S105 PolarHBondContact O-N 3.2Å; I53-S105 CarbonylContact C-O 3.53Å; I53-S105 VanDerWaalsContact CA-O 3.26Å; I53-S105 WeakPolarHBondContact CA-O 3.49Å; T54-S105 PolarHBondContact N-O 3.17Å; N91-S105 WeakPolarHBondContact ND2-CB 3.29Å; N91-S105 PolarHBondContact ND2-OG 2.84Å; N91-S105 WeakPolarHBondContact OD1-CA 3.41Å; K103-S105 PolarHBondContact O-N 2.97Å; K103-S105 PolarHBondContact O-OG 3.1Å
106S97.6Very high96.5Very high48 Ų4852.4 Ų52.434%0.33626%0.259SS..EExtended strand (participates in β ladder)trans-81.4150.2158.960.80000110.4T54 V90 N91T54-S106 CarbonylContact O-C 3.58Å; T54-S106 WeakPolarHBondContact O-CA 3.25Å; V90-S106 VanDerWaalsContact CA-O 3.3Å; V90-S106 WeakPolarHBondContact CA-O 3.15Å; N91-S106 WeakPolarHBondContact CA-OG 3.29Å; N91-S106 PolarHBondContact N-O 2.91Å; N91-S106 PolarHBondContact N-OG 3.37Å; N91-S106 PolarHBondContact OD1-N 3.34Å
107L98Very high96.4Very high2 Ų251.6 Ų51.61%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-134125.8177.2173.266.1000111.2I53 T54 L55 P56 P70 V73 A88 K89 V90 F101 I109I53-L107 HydrophobicContact CG2-CB 3.49Å; I53-L107 VanDerWaalsContact CG2-CB 3.49Å; I53-L107 HydrophobicContact CG2-CD2 4.03Å; I53-L107 HydrophobicContact CG2-CG 4.4Å; T54-L107 PolarHBondContact O-N 3.44Å; L55-L107 HydrophobicContact CD2-CB 4.22Å; L55-L107 HydrophobicContact CD2-CD2 3.99Å; L55-L107 HydrophobicContact CD2-CG 4.35Å; P56-L107 WeakPolarHBondContact CD-O 3.43Å; P70-L107 HydrophobicContact CB-CD1 3.84Å; P70-L107 HydrophobicContact CG-CD1 4.27Å; V73-L107 HydrophobicContact CB-CD2 3.86Å; V73-L107 HydrophobicContact CG1-CD2 3.62Å; V73-L107 HydrophobicContact CG2-CD2 4.42Å; A88-L107 HydrophobicContact CB-CD1 3.71Å; K89-L107 WeakPolarHBondContact O-CA 3.41Å; V90-L107 HydrophobicContact CG2-CD1 4.08Å; F101-L107 HydrophobicContact CE1-CD1 4.43Å; F101-L107 HydrophobicContact CZ-CB 4.46Å; F101-L107 HydrophobicContact CZ-CD1 4.14Å; F101-L107 HydrophobicContact CZ-CD2 4.06Å; F101-L107 HydrophobicContact CZ-CG 4.44Å; L107-I109 HydrophobicContact CD1-CG1 4.14Å; L107-I109 HydrophobicContact CD2-CD1 4.16Å; L107-I109 HydrophobicContact CD2-CG1 4.34Å; L107-I109 HydrophobicContact CG-CG1 4.22Å
108E97.4Very high96.4Very high70 Ų7054.2 Ų54.233%0.32727%0.267SS..EExtended strand (participates in β ladder)trans-117.7148161.6-57173.6-115.900109.3P56 A88 K89 Y110P56-E108 HydrophobicContact CG-CG 3.97Å; A88-E108 CarbonylContact C-O 3.54Å; A88-E108 VanDerWaalsContact CA-O 3.26Å; A88-E108 WeakPolarHBondContact CA-O 3.31Å; K89-E108 HydrophobicContact CB-CB 4.16Å; K89-E108 PolarHBondContact N-O 2.89Å; K89-E108 PolarHBondContact O-N 2.91Å; E108-Y110 HydrophobicContact CB-CE1 3.82Å; E108-Y110 WeakPolarHBondContact OE2-CE1 3.39Å; E108-Y110 PolarHBondContact OE2-OH 3.44Å
109I97.2Very high96.4Very high32 Ų3255.2 Ų55.216%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-122.3124.2178-64.8160.6000108.1A74 L81 A85 L107A74-I109 HydrophobicContact CB-CD1 3.53Å; L81-I109 HydrophobicContact CD1-CB 4.35Å; L81-I109 HydrophobicContact CD1-CG2 3.96Å; L81-I109 HydrophobicContact CD2-CD1 3.88Å; L81-I109 HydrophobicContact CG-CD1 4.35Å; L81-I109 HydrophobicContact CG-CG2 4.33Å; A85-I109 HydrophobicContact CB-CG2 3.56Å; L107-I109 HydrophobicContact CD1-CG1 4.14Å; L107-I109 HydrophobicContact CD2-CD1 4.16Å; L107-I109 HydrophobicContact CD2-CG1 4.34Å; L107-I109 HydrophobicContact CG-CG1 4.22Å
110Y97.3Very high96.5Very high24 Ų2453 Ų539%0.09426%0.256CS..EExtended strand (participates in β ladder)trans-111138.4-178.9-58.9-32.7000111.2V86 I87 K89 E108 H114 D116V86-Y110 PolarHBondContact N-O 3.44Å; I87-Y110 HydrophobicContact CG2-CD2 4.29Å; I87-Y110 PolarHBondContact N-O 2.87Å; I87-Y110 VanDerWaalsContact N-O 3.16Å; I87-Y110 PolarHBondContact O-N 3.26Å; K89-Y110 HydrophobicContact CB-CE2 3.92Å; K89-Y110 HydrophobicContact CD-CE2 3.88Å; K89-Y110 VanDerWaalsContact CD-OH 3.28Å; K89-Y110 WeakPolarHBondContact CD-OH 3.44Å; E108-Y110 HydrophobicContact CB-CE1 3.82Å; E108-Y110 WeakPolarHBondContact OE2-CE1 3.39Å; E108-Y110 PolarHBondContact OE2-OH 3.44Å; Y110-H114 HydrophobicContact CD1-CB 4.44Å; Y110-H114 AromaticContact CD1-CG 3.96Å; Y110-H114 AromaticContact CD2-CE1 3.84Å; Y110-H114 AromaticContact CD2-ND1 3.52Å; Y110-H114 AromaticContact CE2-CE1 3.58Å; Y110-H114 AromaticContact CE2-ND1 3.77Å; Y110-H114 HydrophobicContact CG-CB 4.16Å; Y110-H114 AromaticContact CG-CG 3.82Å; Y110-H114 AromaticContact CG-ND1 3.69Å; Y110-H114 AromaticContact CZ-CE1 3.76Å; Y110-D116 HydrophobicContact CD2-CB 3.91Å; Y110-D116 HydrophobicContact CE2-CB 4.21Å; Y110-D116 WeakPolarHBondContact CE2-OD2 3.37Å
111N96.2Very high96.5Very high63 Ų6352 Ų5234%0.33725%0.25SC..  trans-95.9-175.7169.8698.5000110H84 D113 H114 G117H84-N111 HydrophobicContact CB-CB 4.45Å; H84-N111 WeakPolarHBondContact O-CA 3.41Å; H84-N111 WeakPolarHBondContact O-CB 3.47Å; N111-D113 PolarHBondContact O-N 2.91Å; N111-D113 WeakPolarHBondContact OD1-CB 3.49Å; N111-D113 PolarHBondContact OD1-N 3.32Å; N111-H114 PolarHBondContact O-N 3.12Å; N111-G117 WeakPolarHBondContact O-CA 3.49Å
112F95.9Very high96.6Very high9 Ų953 Ų534%0.03925%0.254CS..THydrogen-bonded Turntrans-63.6-19.1179.2-174.4-86.6000113.8V86 H114 Q118 F121 W122 F273 P274V86-F112 HydrophobicContact CG2-CB 4.13Å; F112-H114 VanDerWaalsContact C-N 3.26Å; F112-H114 PolarHBondContact O-N 2.89Å; F112-Q118 HydrophobicContact CD1-CG 4.23Å; F112-Q118 HydrophobicContact CE1-CG 4.1Å; F112-Q118 HydrophobicContact CE2-CG 4.37Å; F112-Q118 HydrophobicContact CG-CG 4.47Å; F112-Q118 HydrophobicContact CZ-CG 4.18Å; F112-Q118 WeakPolarHBondContact O-CG 3.39Å; F112-Q118 PolarHBondContact O-NE2 3.42Å; F112-F121 HydrophobicContact CD2-CB 3.77Å; F112-F121 AromaticContact CD2-CD1 3.81Å; F112-F121 HydrophobicContact CD2-CD1 3.81Å; F112-F121 AromaticContact CD2-CD2 3.85Å; F112-F121 HydrophobicContact CD2-CD2 3.85Å; F112-F121 HydrophobicContact CD2-CE1 4.32Å; F112-F121 HydrophobicContact CD2-CE2 4.36Å; F112-F121 AromaticContact CD2-CG 3.53Å; F112-F121 HydrophobicContact CD2-CG 3.53Å; F112-F121 HydrophobicContact CE2-CB 3.97Å; F112-F121 AromaticContact CE2-CD1 3.48Å; F112-F121 HydrophobicContact CE2-CD1 3.48Å; F112-F121 VanDerWaalsContact CE2-CD1 3.48Å; F112-F121 HydrophobicContact CE2-CD2 4.38Å; F112-F121 HydrophobicContact CE2-CE1 4Å; F112-F121 AromaticContact CE2-CG 3.69Å; F112-F121 HydrophobicContact CE2-CG 3.69Å; F112-W122 AromaticContact CE2-NE1 3.94Å; F112-W122 HydrophobicContact CZ-CZ2 4.15Å; F112-W122 AromaticContact CZ-NE1 3.92Å; F112-F273 AromaticContact CE1-CD1 3.91Å; F112-F273 HydrophobicContact CE1-CD1 3.91Å; F112-F273 HydrophobicContact CE1-CE1 4.3Å; F112-F273 AromaticContact CZ-CD1 3.67Å; F112-F273 HydrophobicContact CZ-CD1 3.67Å; F112-F273 HydrophobicContact CZ-CE1 4.08Å; F112-P274 HydrophobicContact CB-CG 3.87Å; F112-P274 HydrophobicContact CD1-CG 4.29Å; F112-P274 HydrophobicContact CD2-CG 4.19Å; F112-P274 HydrophobicContact CG-CG 3.85Å
113D94.6Very high96.7Very high95 Ų9550.8 Ų50.851%0.50824%0.243SC..THydrogen-bonded Turntrans-79.2-13-177.7-59.4-42.1000112.6N111 R278N111-D113 PolarHBondContact O-N 2.91Å; N111-D113 WeakPolarHBondContact OD1-CB 3.49Å; N111-D113 PolarHBondContact OD1-N 3.32Å; D113-R278 IonicContact OD1-CZ 3.15Å; D113-R278 VanDerWaalsContact OD1-CZ 3.23Å; D113-R278 IonicContact OD1-NH1 3.78Å; D113-R278 PolarHBondContact OD1-NH1 2.94Å; D113-R278 IonicContact OD1-NH2 2.79Å; D113-R278 PolarHBondContact OD1-NH2 3.31Å; D113-R278 IonicContact OD2-NH2 2.73Å; D113-R278 PolarHBondContact OD2-NH2 2.99Å
114H95.4Very high96.8Very high68 Ų6844.3 Ų44.332%0.31522%0.215SC..SBendtrans-85.2145172.5-166.3-94.8000111.5Y110 N111 F112 D116 G117 Q118Y110-H114 HydrophobicContact CD1-CB 4.44Å; Y110-H114 AromaticContact CD1-CG 3.96Å; Y110-H114 AromaticContact CD2-CE1 3.84Å; Y110-H114 AromaticContact CD2-ND1 3.52Å; Y110-H114 AromaticContact CE2-CE1 3.58Å; Y110-H114 AromaticContact CE2-ND1 3.77Å; Y110-H114 HydrophobicContact CG-CB 4.16Å; Y110-H114 AromaticContact CG-CG 3.82Å; Y110-H114 AromaticContact CG-ND1 3.69Å; Y110-H114 AromaticContact CZ-CE1 3.76Å; N111-H114 PolarHBondContact O-N 3.12Å; F112-H114 VanDerWaalsContact C-N 3.26Å; F112-H114 PolarHBondContact O-N 2.89Å; H114-D116 VanDerWaalsContact C-N 3.35Å; H114-D116 IonicContact CE1-OD2 3.22Å; H114-D116 PolarHBondContact CE1-OD2 2.59Å; H114-D116 WeakPolarHBondContact ND1-CB 3.31Å; H114-D116 PolarHBondContact ND1-N 3.3Å; H114-D116 IonicContact ND1-OD2 2.78Å; H114-D116 PolarHBondContact O-N 3.3Å; H114-G117 CarbonylContact O-C 3.47Å; H114-G117 WeakPolarHBondContact O-CA 3.28Å; H114-G117 PolarHBondContact O-N 3.4Å; H114-Q118 PolarHBondContact O-N 2.91Å
115K93.2Very high96.8Very high154 Ų15440 Ų4067%0.6719%0.192SC*.Hα-helixtrans-54.7-47179.4-73.4-172.1178.4-178.90112.4G117 Q118 Y119K115-G117 VanDerWaalsContact C-N 3.25Å; K115-G117 PolarHBondContact O-N 3.24Å; K115-Q118 PolarHBondContact O-N 2.78Å; K115-Y119 WeakPolarHBondContact O-CB 3.44Å; K115-Y119 PolarHBondContact O-N 3.11Å
116D95.1Very high96.8Very high46 Ų4639.6 Ų39.625%0.24619%0.189CC..Hα-helixtrans-63.9-32.1176.2-63.7-18.4000112.3L94 Y110 H114 V120L94-D116 HydrophobicContact CD1-CB 4.34Å; L94-D116 HydrophobicContact CD2-CB 3.84Å; Y110-D116 HydrophobicContact CD2-CB 3.91Å; Y110-D116 HydrophobicContact CE2-CB 4.21Å; Y110-D116 WeakPolarHBondContact CE2-OD2 3.37Å; H114-D116 VanDerWaalsContact C-N 3.35Å; H114-D116 IonicContact CE1-OD2 3.22Å; H114-D116 PolarHBondContact CE1-OD2 2.59Å; H114-D116 WeakPolarHBondContact ND1-CB 3.31Å; H114-D116 PolarHBondContact ND1-N 3.3Å; H114-D116 IonicContact ND1-OD2 2.78Å; H114-D116 PolarHBondContact O-N 3.3Å; D116-V120 WeakPolarHBondContact O-CG2 3.5Å; D116-V120 PolarHBondContact O-N 3.03Å; D116-V120 VanDerWaalsContact O-N 3.08Å
117G96.7Very high96.9Very high0 Ų037.3 Ų37.30%017%0.173CC..Hα-helixtrans-66.4-45.8174.400000112.1V86 N111 H114 K115 V120 F121V86-G117 WeakPolarHBondContact CG1-O 3.43Å; N111-G117 WeakPolarHBondContact O-CA 3.49Å; H114-G117 CarbonylContact O-C 3.47Å; H114-G117 WeakPolarHBondContact O-CA 3.28Å; H114-G117 PolarHBondContact O-N 3.4Å; K115-G117 VanDerWaalsContact C-N 3.25Å; K115-G117 PolarHBondContact O-N 3.24Å; G117-V120 PolarHBondContact O-N 3.22Å; G117-F121 WeakPolarHBondContact O-CB 3.43Å; G117-F121 PolarHBondContact O-N 2.97Å
118Q96.3Very high96.9Very high59 Ų5937.2 Ų37.228%0.27617%0.173SC..Hα-helixtrans-62.3-46.2175.3-62.8-177.41600111.5F112 H114 K115 V120 F121 W122F112-Q118 HydrophobicContact CD1-CG 4.23Å; F112-Q118 HydrophobicContact CE1-CG 4.1Å; F112-Q118 HydrophobicContact CE2-CG 4.37Å; F112-Q118 HydrophobicContact CG-CG 4.47Å; F112-Q118 HydrophobicContact CZ-CG 4.18Å; F112-Q118 WeakPolarHBondContact O-CG 3.39Å; F112-Q118 PolarHBondContact O-NE2 3.42Å; H114-Q118 PolarHBondContact O-N 2.91Å; K115-Q118 PolarHBondContact O-N 2.78Å; Q118-V120 PolarHBondContact O-N 3.09Å; Q118-F121 PolarHBondContact O-N 3.29Å; Q118-W122 HydrophobicContact CB-CE3 4.25Å; Q118-W122 HydrophobicContact CB-CH2 4.23Å; Q118-W122 HydrophobicContact CB-CZ2 4.49Å; Q118-W122 HydrophobicContact CB-CZ3 4.1Å; Q118-W122 WeakPolarHBondContact O-CB 3.42Å; Q118-W122 PolarHBondContact O-N 3.5Å
119Y96.2Very high96.9Very high116 Ų11634 Ų3446%0.45516%0.157SC..Hα-helixtrans-52.4-54177.7178.4-87.3000111.2K115 H123 P146K115-Y119 WeakPolarHBondContact O-CB 3.44Å; K115-Y119 PolarHBondContact O-N 3.11Å; Y119-H123 VanDerWaalsContact O-CB 3.24Å; Y119-H123 WeakPolarHBondContact O-CB 3.45Å; Y119-H123 PolarHBondContact O-N 3.44Å; Y119-P146 HydrophobicContact CD1-CG 4.36Å; Y119-P146 HydrophobicContact CD2-CB 4.28Å; Y119-P146 HydrophobicContact CD2-CG 3.47Å; Y119-P146 VanDerWaalsContact CD2-CG 3.47Å; Y119-P146 HydrophobicContact CE1-CG 4.21Å; Y119-P146 HydrophobicContact CE2-CG 3.32Å; Y119-P146 HydrophobicContact CG-CG 4Å
120V97.6Very high96.8Very high0 Ų032.4 Ų32.40%015%0.15CC..Hα-helixtrans-66.9-40.1-179.4171.10000111.8V86 I87 L94 D116 G117 Q118 H123 S124 P235V86-V120 HydrophobicContact CG1-CG1 4.48Å; I87-V120 HydrophobicContact CB-CB 4.35Å; I87-V120 HydrophobicContact CB-CG1 4.16Å; I87-V120 HydrophobicContact CB-CG2 4.29Å; I87-V120 HydrophobicContact CD1-CG1 4.16Å; I87-V120 HydrophobicContact CG1-CG1 4.25Å; I87-V120 HydrophobicContact CG1-CG2 4.08Å; I87-V120 HydrophobicContact CG2-CG2 4.31Å; L94-V120 HydrophobicContact CD1-CG2 4.07Å; D116-V120 WeakPolarHBondContact O-CG2 3.5Å; D116-V120 PolarHBondContact O-N 3.03Å; D116-V120 VanDerWaalsContact O-N 3.08Å; G117-V120 PolarHBondContact O-N 3.22Å; Q118-V120 PolarHBondContact O-N 3.09Å; V120-H123 PolarHBondContact O-N 2.99Å; V120-S124 PolarHBondContact O-N 3.11Å; V120-S124 PolarHBondContact O-OG 3.2Å; V120-P235 HydrophobicContact CG2-CG 4.11Å
121F98.1Very high96.8Very high2 Ų231.3 Ų31.31%0.00915%0.145CC..Hα-helixtrans-62.3-46.4179.7-169.7-83.9000112.2V86 F112 G117 Q118 S124 S125 V237 I243 S272 P274V86-F121 HydrophobicContact CG1-CB 4.09Å; V86-F121 HydrophobicContact CG1-CD2 4.33Å; V86-F121 HydrophobicContact CG2-CD2 4.33Å; F112-F121 HydrophobicContact CD2-CB 3.77Å; F112-F121 AromaticContact CD2-CD1 3.81Å; F112-F121 HydrophobicContact CD2-CD1 3.81Å; F112-F121 AromaticContact CD2-CD2 3.85Å; F112-F121 HydrophobicContact CD2-CD2 3.85Å; F112-F121 HydrophobicContact CD2-CE1 4.32Å; F112-F121 HydrophobicContact CD2-CE2 4.36Å; F112-F121 AromaticContact CD2-CG 3.53Å; F112-F121 HydrophobicContact CD2-CG 3.53Å; F112-F121 HydrophobicContact CE2-CB 3.97Å; F112-F121 AromaticContact CE2-CD1 3.48Å; F112-F121 HydrophobicContact CE2-CD1 3.48Å; F112-F121 VanDerWaalsContact CE2-CD1 3.48Å; F112-F121 HydrophobicContact CE2-CD2 4.38Å; F112-F121 HydrophobicContact CE2-CE1 4Å; F112-F121 AromaticContact CE2-CG 3.69Å; F112-F121 HydrophobicContact CE2-CG 3.69Å; G117-F121 WeakPolarHBondContact O-CB 3.43Å; G117-F121 PolarHBondContact O-N 2.97Å; Q118-F121 PolarHBondContact O-N 3.29Å; F121-S124 PolarHBondContact O-N 2.59Å; F121-S125 PolarHBondContact O-N 2.68Å; F121-S125 PolarHBondContact O-OG 3.44Å; F121-V237 HydrophobicContact CD2-CG1 4.07Å; F121-I243 HydrophobicContact CE1-CG1 4.22Å; F121-I243 HydrophobicContact CE1-CG2 4.3Å; F121-I243 HydrophobicContact CE2-CG1 4.41Å; F121-I243 HydrophobicContact CZ-CB 4.24Å; F121-I243 HydrophobicContact CZ-CG1 3.98Å; F121-I243 HydrophobicContact CZ-CG2 4.3Å; F121-S272 VanDerWaalsContact CE1-OG 3.31Å; F121-S272 WeakPolarHBondContact CE1-OG 3.27Å; F121-P274 HydrophobicContact CE2-CB 4.03Å; F121-P274 HydrophobicContact CZ-CB 4.25Å
122W98.1Very high96.7Very high21 Ų2128.3 Ų28.38%0.0813%0.129CC..Hα-helixtrans-71.5-33.9177.5-68.4-26.8000112.3F112 Q118 S125 A126 P146 I147 E148 G150 F151 S272F112-W122 AromaticContact CE2-NE1 3.94Å; F112-W122 HydrophobicContact CZ-CZ2 4.15Å; F112-W122 AromaticContact CZ-NE1 3.92Å; Q118-W122 HydrophobicContact CB-CE3 4.25Å; Q118-W122 HydrophobicContact CB-CH2 4.23Å; Q118-W122 HydrophobicContact CB-CZ2 4.49Å; Q118-W122 HydrophobicContact CB-CZ3 4.1Å; Q118-W122 WeakPolarHBondContact O-CB 3.42Å; Q118-W122 PolarHBondContact O-N 3.5Å; W122-S125 CarbonylContact O-C 3.53Å; W122-S125 WeakPolarHBondContact O-CA 3.43Å; W122-S125 WeakPolarHBondContact O-CB 3.44Å; W122-S125 PolarHBondContact O-N 2.99Å; W122-S125 VanDerWaalsContact O-N 3.1Å; W122-A126 PolarHBondContact O-N 3.33Å; W122-P146 HydrophobicContact CB-CB 3.89Å; W122-I147 VanDerWaalsContact CE3-O 3.22Å; W122-I147 VanDerWaalsContact CZ3-O 3.25Å; W122-I147 WeakPolarHBondContact CZ3-O 3.45Å; W122-E148 VanDerWaalsContact CH2-O 3.31Å; W122-E148 WeakPolarHBondContact CH2-O 3.33Å; W122-E148 VanDerWaalsContact CZ3-O 3.23Å; W122-E148 WeakPolarHBondContact CZ3-O 3.44Å; W122-G150 WeakPolarHBondContact CB-O 3.47Å; W122-F151 HydrophobicContact CB-CB 4.26Å; W122-F151 HydrophobicContact CB-CD1 3.97Å; W122-F151 HydrophobicContact CG-CD1 4.24Å; W122-S272 PolarHBondContact NE1-O 3.21Å
123H97.7Very high96.6Very high22 Ų2227.9 Ų27.910%0.10213%0.127CC..Hα-helixtrans-60.5-46.1171.2-174.6-153.5000111.9Y119 V120 S125 A126 H127 P146 C232 H236Y119-H123 VanDerWaalsContact O-CB 3.24Å; Y119-H123 WeakPolarHBondContact O-CB 3.45Å; Y119-H123 PolarHBondContact O-N 3.44Å; V120-H123 PolarHBondContact O-N 2.99Å; H123-S125 PolarHBondContact O-N 3.04Å; H123-A126 WeakPolarHBondContact O-CB 3.41Å; H123-A126 PolarHBondContact O-N 3.32Å; H123-H127 AromaticContact NE2-NE2 3.94Å; H123-H127 PolarHBondContact O-CD2 3.07Å; H123-H127 PolarHBondContact O-N 3.05Å; H123-P146 HydrophobicContact CB-CB 4.44Å; H123-P146 HydrophobicContact CB-CG 4.06Å; H123-C232 PolarHBondContact CE1-SG 3.21Å; H123-C232 PolarHBondContact NE2-SG 3.42Å; H123-H236 AromaticContact CD2-CE1 3.91Å; H123-H236 AromaticContact CE1-CE1 3.58Å; H123-H236 AromaticContact CE1-NE2 3.85Å; H123-H236 AromaticContact CG-CE1 3.68Å; H123-H236 AromaticContact ND1-CE1 3.45Å; H123-H236 PolarHBondContact ND1-CE1 2.95Å; H123-H236 AromaticContact ND1-ND1 3.99Å; H123-H236 AromaticContact NE2-CE1 3.86Å
124S98.2Very high96.5Very high0 Ų023.5 Ų23.50%010%0.104CC..Hα-helixtrans-60.8-34171.3-71.10000113.4V120 F121 A126 H127 V128 H236 V237V120-S124 PolarHBondContact O-N 3.11Å; V120-S124 PolarHBondContact O-OG 3.2Å; F121-S124 PolarHBondContact O-N 2.59Å; S124-A126 VanDerWaalsContact C-N 3.35Å; S124-H127 WeakPolarHBondContact O-CB 3.4Å; S124-H127 PolarHBondContact O-N 3.44Å; S124-V128 PolarHBondContact O-N 3.36Å; S124-H236 VanDerWaalsContact CA-ND1 3.35Å; S124-H236 WeakPolarHBondContact CA-ND1 3.29Å; S124-H236 PolarHBondContact N-ND1 3.39Å; S124-H236 VanDerWaalsContact OG-CA 3.3Å; S124-H236 WeakPolarHBondContact OG-CA 3.2Å; S124-H236 WeakPolarHBondContact OG-CB 3.29Å; S124-H236 PolarHBondContact OG-ND1 2.87Å; S124-V237 PolarHBondContact OG-N 3.05Å
125S98.4Very high96.3Very high0 Ų023.4 Ų23.40%010%0.101CC..Hα-helixtrans-72-31.6177.7-55.20000112.3F121 W122 H123 H127 V128 L129 F151 I243 S272F121-S125 PolarHBondContact O-N 2.68Å; F121-S125 PolarHBondContact O-OG 3.44Å; W122-S125 CarbonylContact O-C 3.53Å; W122-S125 WeakPolarHBondContact O-CA 3.43Å; W122-S125 WeakPolarHBondContact O-CB 3.44Å; W122-S125 PolarHBondContact O-N 2.99Å; W122-S125 VanDerWaalsContact O-N 3.1Å; H123-S125 PolarHBondContact O-N 3.04Å; S125-H127 VanDerWaalsContact C-N 3.31Å; S125-H127 PolarHBondContact O-N 3.33Å; S125-V128 PolarHBondContact O-N 3.15Å; S125-L129 PolarHBondContact O-N 2.91Å; S125-F151 VanDerWaalsContact CB-CZ 3.43Å; S125-F151 WeakPolarHBondContact O-CE2 3.49Å; S125-I243 WeakPolarHBondContact OG-CD1 3.43Å; S125-S272 WeakPolarHBondContact CB-OG 3.48Å; S125-S272 PolarHBondContact OG-OG 3.38Å
126A98Very high96.1Very high0 Ų016.2 Ų16.20%07%0.07CC..Hα-helixtrans-59.4-43.3169.800000110.7W122 H123 S124 V128 L129 G130 G144 F151 Y153W122-A126 PolarHBondContact O-N 3.33Å; H123-A126 WeakPolarHBondContact O-CB 3.41Å; H123-A126 PolarHBondContact O-N 3.32Å; S124-A126 VanDerWaalsContact C-N 3.35Å; A126-V128 PolarHBondContact O-N 3.1Å; A126-L129 CarbonylContact O-C 3.48Å; A126-L129 WeakPolarHBondContact O-CA 3.49Å; A126-L129 WeakPolarHBondContact O-CB 3.35Å; A126-L129 PolarHBondContact O-N 3.4Å; A126-L129 VanDerWaalsContact O-N 3.09Å; A126-G130 PolarHBondContact O-N 2.88Å; A126-G144 WeakPolarHBondContact CB-O 3.39Å; A126-F151 HydrophobicContact CB-CB 4.05Å; A126-F151 HydrophobicContact CB-CD2 3.92Å; A126-F151 HydrophobicContact CB-CG 4.23Å; A126-Y153 HydrophobicContact CB-CD2 3.99Å; A126-Y153 WeakPolarHBondContact O-CD2 3.31Å
127H98Very high95.8Very high1 Ų114.8 Ų14.81%0.0056%0.061CC..Hα-helixtrans-60.3-42.4175.5-80.2-118.4000112.8H123 S124 S125 L129 G130 E131 F187 L228 D230 C232 H236H123-H127 AromaticContact NE2-NE2 3.94Å; H123-H127 PolarHBondContact O-CD2 3.07Å; H123-H127 PolarHBondContact O-N 3.05Å; S124-H127 WeakPolarHBondContact O-CB 3.4Å; S124-H127 PolarHBondContact O-N 3.44Å; S125-H127 VanDerWaalsContact C-N 3.31Å; S125-H127 PolarHBondContact O-N 3.33Å; H127-L129 VanDerWaalsContact C-N 3.27Å; H127-L129 PolarHBondContact O-N 3.35Å; H127-G130 PolarHBondContact O-N 3.13Å; H127-G130 VanDerWaalsContact O-N 3.14Å; H127-E131 PolarHBondContact O-N 3.43Å; H127-F187 HydrophobicContact CB-CE1 3.8Å; H127-F187 HydrophobicContact CB-CZ 4.25Å; H127-L228 HydrophobicContact CB-CD2 3.94Å; H127-L228 WeakPolarHBondContact O-CD2 3.45Å; H127-D230 IonicContact CE1-OD2 3.09Å; H127-D230 IonicContact NE2-OD2 2.79Å; H127-C232 PolarHBondContact NE2-SG 3.19Å; H127-C232 VanDerWaalsContact NE2-SG 3.45Å; H127-H236 AromaticContact CD2-CE1 3.27Å; H127-H236 PolarHBondContact CD2-CE1 3.41Å; H127-H236 AromaticContact CD2-NE2 3.76Å; H127-H236 AromaticContact CE1-CE1 3.81Å; H127-H236 AromaticContact CE1-NE2 3.49Å; H127-H236 PolarHBondContact CE1-NE2 2.83Å; H127-H236 AromaticContact CG-CE1 3.89Å; H127-H236 AromaticContact NE2-CE1 3.21Å; H127-H236 PolarHBondContact NE2-CE1 2.98Å; H127-H236 AromaticContact NE2-NE2 3.25Å; H127-H236 PolarHBondContact NE2-NE2 3.48Å
128V98.3Very high95.3Very high0 Ų016.4 Ų16.40%07%0.072CC..Hα-helixtrans-58.1-42.2173.6172.80000111.3S124 S125 A126 A132 C177 I180 T240 I243 L246S124-V128 PolarHBondContact O-N 3.36Å; S125-V128 PolarHBondContact O-N 3.15Å; A126-V128 PolarHBondContact O-N 3.1Å; V128-A132 PolarHBondContact O-N 3.48Å; V128-A132 VanDerWaalsContact O-N 3.12Å; V128-C177 HydrophobicContact CG1-CB 3.89Å; V128-I180 HydrophobicContact CB-CG2 4.47Å; V128-I180 HydrophobicContact CG1-CB 4.14Å; V128-I180 HydrophobicContact CG1-CG2 3.9Å; V128-I180 HydrophobicContact CG2-CG2 4.23Å; V128-T240 HydrophobicContact CG2-CG2 3.75Å; V128-I243 HydrophobicContact CG2-CD1 3.73Å; V128-L246 HydrophobicContact CG1-CD1 4.42Å
129L97.6Very high94.9Very high1 Ų113.6 Ų13.61%0.0056%0.059CC..Hα-helixtrans-65.6-43.5174.9177.961.3000111.7S125 A126 H127 E131 A132 L133 F151 V173 V248 V268S125-L129 PolarHBondContact O-N 2.91Å; A126-L129 CarbonylContact O-C 3.48Å; A126-L129 WeakPolarHBondContact O-CA 3.49Å; A126-L129 WeakPolarHBondContact O-CB 3.35Å; A126-L129 PolarHBondContact O-N 3.4Å; A126-L129 VanDerWaalsContact O-N 3.09Å; H127-L129 VanDerWaalsContact C-N 3.27Å; H127-L129 PolarHBondContact O-N 3.35Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3Å; L129-A132 WeakPolarHBondContact O-CB 3.39Å; L129-A132 PolarHBondContact O-N 3.01Å; L129-A132 VanDerWaalsContact O-N 3.11Å; L129-L133 HydrophobicContact CD1-CD2 4.4Å; L129-L133 HydrophobicContact CD1-CG 4.23Å; L129-L133 HydrophobicContact CG-CD1 4.3Å; L129-L133 HydrophobicContact CG-CG 4.39Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.32Å; L129-L133 PolarHBondContact O-N 2.9Å; L129-F151 HydrophobicContact CB-CE2 3.95Å; L129-F151 HydrophobicContact CD2-CD2 4.15Å; L129-F151 HydrophobicContact CD2-CE2 3.87Å; L129-V173 HydrophobicContact CD1-CG1 3.59Å; L129-V248 HydrophobicContact CD1-CG2 4.37Å; L129-V268 HydrophobicContact CD1-CG1 3.99Å; L129-V268 HydrophobicContact CD2-CB 4.14Å; L129-V268 HydrophobicContact CD2-CG1 4.08Å; L129-V268 WeakPolarHBondContact CD2-O 3.17Å
130G96.4Very high94.7Very high0 Ų09.2 Ų9.20%04%0.043CC..Hα-helixtrans-57.4-44.9177.300000112.2A126 H127 A132 L133 E134A126-G130 PolarHBondContact O-N 2.88Å; H127-G130 PolarHBondContact O-N 3.13Å; H127-G130 VanDerWaalsContact O-N 3.14Å; G130-A132 PolarHBondContact O-N 3.05Å; G130-L133 PolarHBondContact O-N 3.38Å; G130-E134 PolarHBondContact O-N 2.9Å
131E96.3Very high94.6Very high1 Ų19.2 Ų9.21%0.0054%0.043CC..Hα-helixtrans-61.3-44.6174.1-175.5-174.4160.900111.7H127 L129 L133 E134 R135 I180 Q185 P227 L228H127-E131 PolarHBondContact O-N 3.43Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3Å; E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 PolarHBondContact O-N 3.34Å; E131-E134 PolarHBondContact O-N 2.87Å; E131-R135 WeakPolarHBondContact O-CG 3.43Å; E131-R135 PolarHBondContact O-N 3.45Å; E131-R135 IonicContact OE1-CZ 3.85Å; E131-R135 IonicContact OE1-NE 3.34Å; E131-R135 PolarHBondContact OE1-NE 2.85Å; E131-R135 VanDerWaalsContact OE1-NE 3.08Å; E131-R135 IonicContact OE1-NH2 3.55Å; E131-R135 PolarHBondContact OE1-NH2 3.01Å; E131-I180 HydrophobicContact CB-CD1 3.92Å; E131-I180 HydrophobicContact CG-CD1 3.76Å; E131-I180 HydrophobicContact CG-CG1 4.46Å; E131-I180 WeakPolarHBondContact OE2-CG2 3.33Å; E131-Q185 PolarHBondContact OE1-NE2 3.49Å; E131-Q185 PolarHBondContact OE2-OE1 3.48Å; E131-P227 HydrophobicContact CG-CG 4.02Å; E131-P227 WeakPolarHBondContact OE1-CD 3.24Å; E131-P227 VanDerWaalsContact OE1-CG 3.3Å; E131-P227 WeakPolarHBondContact OE1-CG 3.39Å; E131-L228 HydrophobicContact CB-CB 3.89Å; E131-L228 HydrophobicContact CB-CD2 4.18Å; E131-L228 HydrophobicContact CG-CB 4.16Å
132A95.1Very high94.4Very high0 Ų09.2 Ų9.20%04%0.043CC..Hα-helixtrans-60.2-39.4176.700000111.6V128 L129 G130 R135 C136 V173 V176 C177 I180V128-A132 PolarHBondContact O-N 3.48Å; V128-A132 VanDerWaalsContact O-N 3.12Å; L129-A132 WeakPolarHBondContact O-CB 3.39Å; L129-A132 PolarHBondContact O-N 3.01Å; L129-A132 VanDerWaalsContact O-N 3.11Å; G130-A132 PolarHBondContact O-N 3.05Å; A132-R135 PolarHBondContact O-N 3.15Å; A132-C136 VanDerWaalsContact O-CB 3.29Å; A132-C136 WeakPolarHBondContact O-CB 3.3Å; A132-C136 PolarHBondContact O-N 3.34Å; A132-C136 PolarHBondContact O-SG 3.01Å; A132-V173 HydrophobicContact CB-CG1 4.12Å; A132-V176 HydrophobicContact CB-CB 4.1Å; A132-V176 HydrophobicContact CB-CG1 3.71Å; A132-C177 VanDerWaalsContact CB-SG 3.5Å; A132-I180 HydrophobicContact CB-CD1 4.06Å
133L93.3Very high94.1Very high0 Ų011.6 Ų11.60%05%0.052CC..Hα-helixtrans-68.5-40.1177.2-65.7-178.4000112.8L129 G130 E131 R135 C136 Y137 L141 M155 L165 V173 V268L129-L133 HydrophobicContact CD1-CD2 4.4Å; L129-L133 HydrophobicContact CD1-CG 4.23Å; L129-L133 HydrophobicContact CG-CD1 4.3Å; L129-L133 HydrophobicContact CG-CG 4.39Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.32Å; L129-L133 PolarHBondContact O-N 2.9Å; G130-L133 PolarHBondContact O-N 3.38Å; E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 PolarHBondContact O-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.35Å; L133-C136 PolarHBondContact O-N 2.92Å; L133-Y137 HydrophobicContact CD2-CD2 4.34Å; L133-Y137 PolarHBondContact O-N 3.46Å; L133-L141 HydrophobicContact CB-CD2 4.18Å; L133-M155 HydrophobicContact CB-SD 3.84Å; L133-M155 HydrophobicContact CD1-CB 4.44Å; L133-M155 HydrophobicContact CD1-CE 4.39Å; L133-M155 HydrophobicContact CD1-CG 4.48Å; L133-M155 HydrophobicContact CD1-SD 4.15Å; L133-M155 HydrophobicContact CD2-CE 3.79Å; L133-M155 HydrophobicContact CD2-SD 4.15Å; L133-M155 HydrophobicContact CG-CE 4.47Å; L133-M155 HydrophobicContact CG-SD 4.25Å; L133-L165 HydrophobicContact CD2-CD1 4.02Å; L133-V173 HydrophobicContact CD2-CG1 4.02Å; L133-V173 HydrophobicContact CD2-CG2 4.37Å; L133-V268 HydrophobicContact CD1-CB 4.33Å; L133-V268 HydrophobicContact CD1-CG2 4.15Å; L133-V268 HydrophobicContact CD2-CG2 3.96Å
134E92.6Very high93.9Very high2 Ų211 Ų111%0.0095%0.053CC..Hα-helixtrans-61.5-43.5171.7-74.9-174.1159.900111.2F24 R28 G130 E131 S138 L141F24-E134 HydrophobicContact CE2-CG 4.48Å; R28-E134 IonicContact CZ-OE1 2.93Å; R28-E134 IonicContact CZ-OE2 2.85Å; R28-E134 IonicContact NH1-OE1 3.08Å; R28-E134 PolarHBondContact NH1-OE1 2.77Å; R28-E134 IonicContact NH1-OE2 3.75Å; R28-E134 VanDerWaalsContact NH2-CD 3.29Å; R28-E134 IonicContact NH2-OE1 3.15Å; R28-E134 PolarHBondContact NH2-OE1 2.87Å; R28-E134 VanDerWaalsContact NH2-OE1 3.14Å; R28-E134 IonicContact NH2-OE2 3.05Å; R28-E134 PolarHBondContact NH2-OE2 2.79Å; G130-E134 PolarHBondContact O-N 2.9Å; E131-E134 PolarHBondContact O-N 2.87Å; E134-S138 VanDerWaalsContact O-CA 3.27Å; E134-S138 WeakPolarHBondContact O-CA 3.46Å; E134-S138 PolarHBondContact O-N 3.49Å; E134-L141 HydrophobicContact CG-CD1 3.8Å; E134-L141 HydrophobicContact CG-CD2 4.32Å; E134-L141 HydrophobicContact CG-CG 3.8Å
135R90.7Very high93.7Very high67 Ų6713 Ų1325%0.2537%0.066SC..Hα-helixtrans-67.5-36.2178.2-71.2-172.7-173.1-1585.4113P19 E131 A132 L133 E183P19-R135 WeakPolarHBondContact CD-O 3.22Å; P19-R135 VanDerWaalsContact CG-O 3.29Å; P19-R135 WeakPolarHBondContact CG-O 3.33Å; E131-R135 WeakPolarHBondContact O-CG 3.43Å; E131-R135 PolarHBondContact O-N 3.45Å; E131-R135 IonicContact OE1-CZ 3.85Å; E131-R135 IonicContact OE1-NE 3.34Å; E131-R135 PolarHBondContact OE1-NE 2.85Å; E131-R135 VanDerWaalsContact OE1-NE 3.08Å; E131-R135 IonicContact OE1-NH2 3.55Å; E131-R135 PolarHBondContact OE1-NH2 3.01Å; A132-R135 PolarHBondContact O-N 3.15Å; L133-R135 VanDerWaalsContact C-N 3.35Å; R135-E183 IonicContact NH1-OE1 3.93Å; R135-E183 IonicContact NH2-OE1 2.69Å; R135-E183 IonicContact NH2-OE2 2.63Å
136C89.5Confident93.6Very high3 Ų313.8 Ų13.82%0.027%0.071CC..Hα-helixtrans-84.7-35.5-177-71.30000113.3L13 P19 A132 L133L13-C136 HydrophobicContact CD1-CB 4.32Å; L13-C136 WeakPolarHBondContact CD2-O 3.31Å; P19-C136 WeakPolarHBondContact CG-O 3.42Å; A132-C136 VanDerWaalsContact O-CB 3.29Å; A132-C136 WeakPolarHBondContact O-CB 3.3Å; A132-C136 PolarHBondContact O-N 3.34Å; A132-C136 PolarHBondContact O-SG 3.01Å; L133-C136 PolarHBondContact O-N 2.92Å
137Y88.2Confident93.2Very high15 Ų1516.9 Ų16.96%0.0599%0.087CC..Hα-helixtrans-129.2-2.6-167.4-65.2-84000114.6L13 L133 G139 M155 L165 D169 V173L13-Y137 HydrophobicContact CD1-CD1 4.21Å; L13-Y137 HydrophobicContact CD1-CD2 4.47Å; L13-Y137 HydrophobicContact CD1-CE1 3.43Å; L13-Y137 VanDerWaalsContact CD1-CE1 3.43Å; L13-Y137 HydrophobicContact CD1-CE2 3.71Å; L13-Y137 WeakPolarHBondContact CD1-OH 3.18Å; L133-Y137 HydrophobicContact CD2-CD2 4.34Å; L133-Y137 PolarHBondContact O-N 3.46Å; Y137-G139 PolarHBondContact O-N 2.66Å; Y137-G139 VanDerWaalsContact O-N 3.11Å; Y137-M155 HydrophobicContact CD2-CE 3.83Å; Y137-M155 HydrophobicContact CD2-SD 4.29Å; Y137-M155 HydrophobicContact CE2-CE 4.31Å; Y137-M155 HydrophobicContact CG-CE 4.06Å; Y137-M155 HydrophobicContact CG-SD 4.32Å; Y137-L165 HydrophobicContact CD2-CD1 4.19Å; Y137-L165 HydrophobicContact CE2-CD1 3.39Å; Y137-L165 HydrophobicContact CE2-CG 4.16Å; Y137-L165 WeakPolarHBondContact OH-CG 3.35Å; Y137-D169 WeakPolarHBondContact OH-CB 3.4Å; Y137-D169 PolarHBondContact OH-OD2 3.4Å; Y137-V173 HydrophobicContact CE2-CG2 4.01Å
138S87.5Confident92.4Very high35 Ų3523.6 Ų23.625%0.24512%0.118CC..  trans51.332.3-170.2-58.30000112.2E134E134-S138 VanDerWaalsContact O-CA 3.27Å; E134-S138 WeakPolarHBondContact O-CA 3.46Å; E134-S138 PolarHBondContact O-N 3.49Å
139G85.9Confident91.7Very high0 Ų029.3 Ų29.30%015%0.145CC..  trans-71.3145.5-173.200000112.6Y137 L141 W156Y137-G139 PolarHBondContact O-N 2.66Å; Y137-G139 VanDerWaalsContact O-N 3.11Å; G139-L141 PolarHBondContact O-N 2.63Å; G139-W156 CarbonylContact C-O 3.49Å; G139-W156 WeakPolarHBondContact CA-O 3.47Å
140H92.7Very high91.6Very high23 Ų2329.3 Ų29.311%0.10615%0.145CC..EExtended strand (participates in β ladder)trans-78.7103168.9-67.8-170.5000108.8C142 M155 W156 Y203 F206H140-C142 PolarHBondContact O-SG 3.02Å; H140-M155 WeakPolarHBondContact O-CA 3.31Å; H140-W156 HydrophobicContact CB-CB 4.33Å; H140-W156 HydrophobicContact CB-CE3 4.13Å; H140-W156 AromaticContact CE1-CZ3 3.85Å; H140-W156 AromaticContact CG-CE3 3.88Å; H140-W156 PolarHBondContact N-O 3.07Å; H140-W156 AromaticContact ND1-CE3 3.53Å; H140-W156 AromaticContact ND1-CZ3 3.65Å; H140-W156 PolarHBondContact O-N 3.19Å; H140-Y203 PolarHBondContact CE1-O 3.15Å; H140-Y203 AromaticContact NE2-CD2 3.92Å; H140-F206 HydrophobicContact CB-CD2 4.18Å
141L95Very high91.6Very high1 Ų129.3 Ų29.31%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-62.1136.6177.6-66.7-172.7000111.9L133 E134 G139 Y153 M155 N204 K207 L228L133-L141 HydrophobicContact CB-CD2 4.18Å; E134-L141 HydrophobicContact CG-CD1 3.8Å; E134-L141 HydrophobicContact CG-CD2 4.32Å; E134-L141 HydrophobicContact CG-CG 3.8Å; G139-L141 PolarHBondContact O-N 2.63Å; L141-Y153 HydrophobicContact CB-CD1 4.46Å; L141-Y153 HydrophobicContact CB-CE1 3.61Å; L141-Y153 HydrophobicContact CD1-CE1 4.12Å; L141-Y153 HydrophobicContact CD2-CD1 3.83Å; L141-Y153 HydrophobicContact CD2-CE1 3.76Å; L141-Y153 HydrophobicContact CG-CE1 4.02Å; L141-M155 HydrophobicContact CD2-CB 4.26Å; L141-N204 PolarHBondContact N-ND2 2.78Å; L141-N204 PolarHBondContact O-ND2 3.17Å; L141-K207 WeakPolarHBondContact O-CE 3.39Å; L141-L228 HydrophobicContact CD1-CD1 3.54Å
142C94.7Very high91.6Very high1 Ų131 Ų311%0.00715%0.151CC..  trans-114.6-108.9-177.5-67.10000110.2H140 D154 F206 K207 W256 L265H140-C142 PolarHBondContact O-SG 3.02Å; C142-D154 HydrophobicContact CB-CB 3.74Å; C142-D154 WeakPolarHBondContact CB-O 3.46Å; C142-D154 PolarHBondContact N-O 3.21Å; C142-F206 VanDerWaalsContact SG-CB 3.58Å; C142-F206 WeakPolarHBondContact SG-CG 3.5Å; C142-K207 PolarHBondContact O-NZ 2.72Å; C142-W256 HydrophobicContact CB-CZ3 3.88Å; C142-L265 HydrophobicContact CB-CD1 4.47Å
143Y92.8Very high91.7Very high71 Ų7131 Ų3128%0.27815%0.151SC..  trans-97.3132.4177.6-67.1-68.8000111.1D154 I210 W256Y143-D154 PolarHBondContact O-N 3Å; Y143-I210 HydrophobicContact CD1-CD1 4.23Å; Y143-I210 HydrophobicContact CE1-CD1 3.72Å; Y143-I210 HydrophobicContact CE1-CG1 4.07Å; Y143-I210 HydrophobicContact CE2-CD1 4.5Å; Y143-W256 HydrophobicContact CD2-CZ3 4.14Å; Y143-W256 HydrophobicContact CE2-CE3 4.32Å; Y143-W256 AromaticContact CE2-CH2 3.84Å; Y143-W256 HydrophobicContact CE2-CH2 3.84Å; Y143-W256 HydrophobicContact CE2-CZ2 4.42Å; Y143-W256 AromaticContact CE2-CZ3 3.76Å; Y143-W256 HydrophobicContact CE2-CZ3 3.76Å
144G93.7Very high91.8Very high11 Ų1131.1 Ų31.111%0.11315%0.152CC..  trans-129.557.2176.700000114.6A126 Y152A126-G144 WeakPolarHBondContact CB-O 3.39Å; G144-Y152 CarbonylContact C-O 3.59Å; G144-Y152 WeakPolarHBondContact CA-O 3.42Å
145P93.9Very high91.8Very high41 Ų4131 Ų3127%0.26615%0.151SC..  trans-81.4154.8-174.235.3-35.3000112.6Y152P145-Y152 VanDerWaalsContact CD-CE2 3.45Å; P145-Y152 VanDerWaalsContact CD-CZ 3.43Å; P145-Y152 HydrophobicContact CG-CD1 4.2Å; P145-Y152 HydrophobicContact CG-CE1 3.47Å; P145-Y152 VanDerWaalsContact CG-CE1 3.47Å; P145-Y152 HydrophobicContact CG-CE2 3.9Å; P145-Y152 WeakPolarHBondContact CG-OH 3.25Å; P145-Y152 PolarHBondContact O-N 3.32Å
146P95.1Very high91.8Very high17 Ų1730.9 Ų30.911%0.1115%0.151CC..EExtended strand (participates in β ladder)trans-66.5151.5158.332.7-35.7000110.5Y119 W122 H123 G150Y119-P146 HydrophobicContact CD1-CG 4.36Å; Y119-P146 HydrophobicContact CD2-CB 4.28Å; Y119-P146 HydrophobicContact CD2-CG 3.47Å; Y119-P146 VanDerWaalsContact CD2-CG 3.47Å; Y119-P146 HydrophobicContact CE1-CG 4.21Å; Y119-P146 HydrophobicContact CE2-CG 3.32Å; Y119-P146 HydrophobicContact CG-CG 4Å; W122-P146 HydrophobicContact CB-CB 3.89Å; H123-P146 HydrophobicContact CB-CB 4.44Å; H123-P146 HydrophobicContact CB-CG 4.06Å; P146-G150 WeakPolarHBondContact CA-O 3.21Å
147I90.6Very high91.6Very high65 Ų6532 Ų3233%0.33316%0.158SC..EExtended strand (participates in β ladder)trans-130.9169.517458.4172.5000109.2W122 E149 G150 Y152 Y269W122-I147 VanDerWaalsContact CE3-O 3.22Å; W122-I147 VanDerWaalsContact CZ3-O 3.25Å; W122-I147 WeakPolarHBondContact CZ3-O 3.45Å; I147-E149 PolarHBondContact O-N 3.44Å; I147-G150 PolarHBondContact N-O 3.04Å; I147-G150 PolarHBondContact O-N 3.41Å; I147-Y152 HydrophobicContact CG2-CD1 3.78Å; I147-Y152 HydrophobicContact CG2-CE1 3.81Å; I147-Y269 HydrophobicContact CD1-CD1 4.17Å; I147-Y269 HydrophobicContact CD1-CE1 4.42Å
148E81.5Confident91Very high141 Ų14133.3 Ų33.366%0.65917%0.168SC*.THydrogen-bonded Turntrans-55.5-29.2-174.7-168.4173.2-166.900113.9W122 R526W122-E148 VanDerWaalsContact CH2-O 3.31Å; W122-E148 WeakPolarHBondContact CH2-O 3.33Å; W122-E148 VanDerWaalsContact CZ3-O 3.23Å; W122-E148 WeakPolarHBondContact CZ3-O 3.44Å; E148-R526 IonicContact OE1-NH1 3.63Å; E148-R526 PolarHBondContact OE1-NH1 3.28Å
149E83.3Confident89.8Confident121 Ų12138.2 Ų38.257%0.56519%0.191SC*.THydrogen-bonded Turntrans-119.633.4-179.1-60.2-169.8152.300113.5I147I147-E149 PolarHBondContact O-N 3.44Å
150G94.6Very high88.3Confident0 Ų046.7 Ų46.70%023%0.231CC..EExtended strand (participates in β ladder)trans134.1-128.8176.600000112.6W122 P146 I147W122-G150 WeakPolarHBondContact CB-O 3.47Å; P146-G150 WeakPolarHBondContact CA-O 3.21Å; I147-G150 PolarHBondContact N-O 3.04Å; I147-G150 PolarHBondContact O-N 3.41Å
151F97.4Very high86.3Confident1 Ų153.1 Ų53.10%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-153.6164.4-178.554.1-83.9000110.7W122 S125 A126 L129 L246 Y269 G270W122-F151 HydrophobicContact CB-CB 4.26Å; W122-F151 HydrophobicContact CB-CD1 3.97Å; W122-F151 HydrophobicContact CG-CD1 4.24Å; S125-F151 VanDerWaalsContact CB-CZ 3.43Å; S125-F151 WeakPolarHBondContact O-CE2 3.49Å; A126-F151 HydrophobicContact CB-CB 4.05Å; A126-F151 HydrophobicContact CB-CD2 3.92Å; A126-F151 HydrophobicContact CB-CG 4.23Å; L129-F151 HydrophobicContact CB-CE2 3.95Å; L129-F151 HydrophobicContact CD2-CD2 4.15Å; L129-F151 HydrophobicContact CD2-CE2 3.87Å; F151-L246 HydrophobicContact CZ-CD1 3.99Å; F151-L246 HydrophobicContact CZ-CG 4.37Å; F151-Y269 WeakPolarHBondContact O-CA 3.35Å; F151-G270 WeakPolarHBondContact CD1-O 3.46Å; F151-G270 VanDerWaalsContact CE1-C 3.5Å; F151-G270 PolarHBondContact N-O 3.38Å; F151-G270 PolarHBondContact O-N 3.24Å
152Y96.4Very high84.3Confident35 Ų3556.6 Ų56.614%0.13728%0.277CS..EExtended strand (participates in β ladder)trans-135165.9164.670.7-99.7000110.6G144 P145 I147 D154 R267 V268 Y269G144-Y152 CarbonylContact C-O 3.59Å; G144-Y152 WeakPolarHBondContact CA-O 3.42Å; P145-Y152 VanDerWaalsContact CD-CE2 3.45Å; P145-Y152 VanDerWaalsContact CD-CZ 3.43Å; P145-Y152 HydrophobicContact CG-CD1 4.2Å; P145-Y152 HydrophobicContact CG-CE1 3.47Å; P145-Y152 VanDerWaalsContact CG-CE1 3.47Å; P145-Y152 HydrophobicContact CG-CE2 3.9Å; P145-Y152 WeakPolarHBondContact CG-OH 3.25Å; P145-Y152 PolarHBondContact O-N 3.32Å; I147-Y152 HydrophobicContact CG2-CD1 3.78Å; I147-Y152 HydrophobicContact CG2-CE1 3.81Å; Y152-D154 WeakPolarHBondContact CE2-OD2 3.46Å; Y152-R267 HydrophobicContact CD2-CG 3.66Å; Y152-R267 HydrophobicContact CE2-CG 4.45Å; Y152-R267 VanDerWaalsContact CE2-NE 3.31Å; Y152-R267 HydrophobicContact CG-CG 3.88Å; Y152-R267 PolarHBondContact OH-NH2 2.84Å; Y152-V268 CarbonylContact C-O 3.58Å; Y152-V268 WeakPolarHBondContact CA-O 3.35Å; Y152-V268 WeakPolarHBondContact CB-O 3.33Å; Y152-Y269 HydrophobicContact CD1-CE1 4.35Å; Y152-Y269 HydrophobicContact CG-CE1 4.45Å
153Y96.4Very high82.4Confident1 Ų160.3 Ų60.30%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-135.9126.7166.8-141.2-60.8000110.2A126 L141 K207 D230 V268A126-Y153 HydrophobicContact CB-CD2 3.99Å; A126-Y153 WeakPolarHBondContact O-CD2 3.31Å; L141-Y153 HydrophobicContact CB-CD1 4.46Å; L141-Y153 HydrophobicContact CB-CE1 3.61Å; L141-Y153 HydrophobicContact CD1-CE1 4.12Å; L141-Y153 HydrophobicContact CD2-CD1 3.83Å; L141-Y153 HydrophobicContact CD2-CE1 3.76Å; L141-Y153 HydrophobicContact CG-CE1 4.02Å; Y153-K207 PolarHBondContact OH-NZ 3.26Å; Y153-D230 VanDerWaalsContact OH-CG 3.25Å; Y153-D230 PolarHBondContact OH-OD1 2.79Å; Y153-D230 PolarHBondContact OH-OD2 2.89Å; Y153-V268 PolarHBondContact N-O 3.25Å; Y153-V268 PolarHBondContact O-N 3.2Å
154D94.7Very high81.1Confident2 Ų258.5 Ų58.51%0.01131%0.306CS..EExtended strand (participates in β ladder)trans-87.2132.3172.8-72.3-28000110.5C142 Y143 Y152 S254 L265 Q266 R267C142-D154 HydrophobicContact CB-CB 3.74Å; C142-D154 WeakPolarHBondContact CB-O 3.46Å; C142-D154 PolarHBondContact N-O 3.21Å; Y143-D154 PolarHBondContact O-N 3Å; Y152-D154 WeakPolarHBondContact CE2-OD2 3.46Å; D154-S254 PolarHBondContact OD1-OG 3.04Å; D154-L265 HydrophobicContact CB-CD1 4.13Å; D154-Q266 CarbonylContact C-O 3.5Å; D154-Q266 WeakPolarHBondContact CA-O 3.42Å; D154-R267 WeakPolarHBondContact OD1-CA 3.29Å; D154-R267 WeakPolarHBondContact OD1-CB 3.48Å; D154-R267 WeakPolarHBondContact OD1-CG 3.43Å; D154-R267 IonicContact OD1-CZ 3.19Å; D154-R267 IonicContact OD1-NE 3.07Å; D154-R267 PolarHBondContact OD1-NE 3.33Å; D154-R267 IonicContact OD1-NH2 3.31Å; D154-R267 IonicContact OD2-CZ 3.56Å; D154-R267 IonicContact OD2-NE 3.78Å; D154-R267 PolarHBondContact OD2-NE 2.88Å; D154-R267 IonicContact OD2-NH2 3.33Å; D154-R267 PolarHBondContact OD2-NH2 3.01Å
155M93Very high80.4Confident0 Ų058.4 Ų58.40%030%0.303CS..EExtended strand (participates in β ladder)trans-129.8147.7168.479.1179.3150.200111.1L133 Y137 H140 L141 V157 L165 Q266L133-M155 HydrophobicContact CB-SD 3.84Å; L133-M155 HydrophobicContact CD1-CB 4.44Å; L133-M155 HydrophobicContact CD1-CE 4.39Å; L133-M155 HydrophobicContact CD1-CG 4.48Å; L133-M155 HydrophobicContact CD1-SD 4.15Å; L133-M155 HydrophobicContact CD2-CE 3.79Å; L133-M155 HydrophobicContact CD2-SD 4.15Å; L133-M155 HydrophobicContact CG-CE 4.47Å; L133-M155 HydrophobicContact CG-SD 4.25Å; Y137-M155 HydrophobicContact CD2-CE 3.83Å; Y137-M155 HydrophobicContact CD2-SD 4.29Å; Y137-M155 HydrophobicContact CE2-CE 4.31Å; Y137-M155 HydrophobicContact CG-CE 4.06Å; Y137-M155 HydrophobicContact CG-SD 4.32Å; H140-M155 WeakPolarHBondContact O-CA 3.31Å; L141-M155 HydrophobicContact CD2-CB 4.26Å; M155-V157 HydrophobicContact CE-CG2 4.22Å; M155-V157 HydrophobicContact CG-CG2 4.1Å; M155-V157 HydrophobicContact SD-CG2 3.93Å; M155-L165 HydrophobicContact CE-CD1 3.64Å; M155-Q266 HydrophobicContact CE-CB 4.04Å; M155-Q266 HydrophobicContact CG-CB 4.07Å; M155-Q266 PolarHBondContact N-O 2.89Å; M155-Q266 PolarHBondContact O-N 3.32Å
156W91.7Very high79.8Confident65 Ų6561 Ų6125%0.24631%0.307CS..EExtended strand (participates in β ladder)trans-101.6133.1163.4-178.681000109.4G139 H140 P158 F206 L265G139-W156 CarbonylContact C-O 3.49Å; G139-W156 WeakPolarHBondContact CA-O 3.47Å; H140-W156 HydrophobicContact CB-CB 4.33Å; H140-W156 HydrophobicContact CB-CE3 4.13Å; H140-W156 AromaticContact CE1-CZ3 3.85Å; H140-W156 AromaticContact CG-CE3 3.88Å; H140-W156 PolarHBondContact N-O 3.07Å; H140-W156 AromaticContact ND1-CE3 3.53Å; H140-W156 AromaticContact ND1-CZ3 3.65Å; H140-W156 PolarHBondContact O-N 3.19Å; W156-P158 HydrophobicContact CE3-CB 4.42Å; W156-P158 HydrophobicContact CE3-CG 3.89Å; W156-P158 HydrophobicContact CH2-CB 4.06Å; W156-P158 HydrophobicContact CH2-CG 4.35Å; W156-P158 HydrophobicContact CZ3-CB 3.76Å; W156-P158 HydrophobicContact CZ3-CG 3.54Å; W156-F206 HydrophobicContact CB-CD2 4Å; W156-F206 HydrophobicContact CB-CE2 3.26Å; W156-F206 HydrophobicContact CB-CZ 3.69Å; W156-F206 AromaticContact CD1-CZ 3.8Å; W156-F206 AromaticContact CD2-CE2 3.63Å; W156-F206 HydrophobicContact CD2-CE2 3.63Å; W156-F206 HydrophobicContact CD2-CZ 4.04Å; W156-F206 AromaticContact CE3-CE2 3.87Å; W156-F206 HydrophobicContact CE3-CE2 3.87Å; W156-F206 AromaticContact CG-CE2 3.38Å; W156-F206 HydrophobicContact CG-CE2 3.38Å; W156-F206 AromaticContact CG-CZ 3.58Å; W156-F206 HydrophobicContact CG-CZ 3.58Å; W156-L265 HydrophobicContact CB-CD2 3.83Å; W156-L265 HydrophobicContact CG-CD2 4.42Å
157V85Confident79Confident27 Ų2764.4 Ų64.416%0.16433%0.33CS..  trans-105.2115.3179.2-1770000108.7M155M155-V157 HydrophobicContact CE-CG2 4.22Å; M155-V157 HydrophobicContact CG-CG2 4.1Å; M155-V157 HydrophobicContact SD-CG2 3.93Å
158P74.5Confident78.7Confident41 Ų4167.1 Ų67.127%0.26634%0.341SS..THydrogen-bonded Turntrans-59146.8176.4-18.727.3000112.3W156 Q160W156-P158 HydrophobicContact CE3-CB 4.42Å; W156-P158 HydrophobicContact CE3-CG 3.89Å; W156-P158 HydrophobicContact CH2-CB 4.06Å; W156-P158 HydrophobicContact CH2-CG 4.35Å; W156-P158 HydrophobicContact CZ3-CB 3.76Å; W156-P158 HydrophobicContact CZ3-CG 3.54Å; P158-Q160 PolarHBondContact O-N 3.38Å
159N62.1Low78.9Confident138 Ų13860.8 Ų60.874%0.73831%0.312SS*.THydrogen-bonded Turntrans69.97.6171-64.8-27.5000119.7Q161N159-Q161 PolarHBondContact O-N 3.38Å
160Q55.9Low79.4Confident179 Ų17956 Ų5684%0.83629%0.29SS*.SBendtrans46.89.6171.9-64.8-167.6-2.900117.4P158 H162P158-Q160 PolarHBondContact O-N 3.38Å; Q160-H162 PolarHBondContact O-N 2.96Å
161Q50.1Low79.3Confident157 Ų15759.3 Ų59.373%0.73431%0.313SS*.  trans-70.7-19.4-177.7-76-175.20.900112N159N159-Q161 PolarHBondContact O-N 3.38Å
162H52.7Low79Confident75 Ų7560.2 Ų60.235%0.34732%0.317SS..SBendtrans-92.2115.1163.5-60-68.6000107.6Q160 G164Q160-H162 PolarHBondContact O-N 2.96Å; H162-G164 PolarHBondContact O-N 3.19Å; H162-G164 VanDerWaalsContact O-N 3.14Å
163S54.3Low78.9Confident79 Ų7958.5 Ų58.555%0.55231%0.311SS*.PPolyproline II helixtrans-49.1124.6151.844.50000105.6
164G67.1Low78.9Confident33 Ų3360.1 Ų60.134%0.3432%0.318SS..PPolyproline II helixtrans-48.1168.9-167.500000114.6H162 R166H162-G164 PolarHBondContact O-N 3.19Å; H162-G164 VanDerWaalsContact O-N 3.14Å; G164-R166 WeakPolarHBondContact O-CG 3.41Å; G164-R166 PolarHBondContact O-N 3.18Å; G164-R166 VanDerWaalsContact O-N 3.08Å
165L78.3Confident79Confident9 Ų962.9 Ų62.95%0.04733%0.333CS..PPolyproline II helixtrans-48.5117.7-171.3-156.8142000111.7L133 Y137 M155 D169 L170 V173 C251 V268L133-L165 HydrophobicContact CD2-CD1 4.02Å; Y137-L165 HydrophobicContact CD2-CD1 4.19Å; Y137-L165 HydrophobicContact CE2-CD1 3.39Å; Y137-L165 HydrophobicContact CE2-CG 4.16Å; Y137-L165 WeakPolarHBondContact OH-CG 3.35Å; M155-L165 HydrophobicContact CE-CD1 3.64Å; L165-D169 HydrophobicContact CD2-CB 4.36Å; L165-D169 HydrophobicContact CG-CB 4.32Å; L165-L170 HydrophobicContact CD2-CD2 3.38Å; L165-L170 HydrophobicContact CD2-CG 4.09Å; L165-V173 HydrophobicContact CD1-CG2 4.3Å; L165-C251 HydrophobicContact CB-CB 4.41Å; L165-C251 HydrophobicContact CD2-CB 3.78Å; L165-C251 PolarHBondContact O-SG 3.45Å; L165-V268 HydrophobicContact CD1-CG2 3.7Å; L165-V268 HydrophobicContact CD2-CG2 4.42Å
166R80.6Confident79.1Confident94 Ų9463.5 Ų63.536%0.35534%0.337SS..PPolyproline II helixtrans-91.9157.7-177.2-56.7170-67.1170.18.6110.4G164 E168 D169G164-R166 WeakPolarHBondContact O-CG 3.41Å; G164-R166 PolarHBondContact O-N 3.18Å; G164-R166 VanDerWaalsContact O-N 3.08Å; R166-E168 WeakPolarHBondContact CB-OE2 3.36Å; R166-E168 PolarHBondContact O-N 3.31Å; R166-E168 VanDerWaalsContact O-N 3.1Å; R166-D169 WeakPolarHBondContact CB-OD2 3.29Å; R166-D169 IonicContact CZ-OD1 3.7Å; R166-D169 PolarHBondContact N-OD2 3.26Å; R166-D169 IonicContact NE-OD1 3.21Å; R166-D169 IonicContact NE-OD2 2.93Å; R166-D169 PolarHBondContact NE-OD2 2.88Å; R166-D169 IonicContact NH2-OD1 3.7Å; R166-D169 PolarHBondContact NH2-OD1 3.42Å; R166-D169 IonicContact NH2-OD2 3.75Å; R166-D169 WeakPolarHBondContact O-CB 3.23Å; R166-D169 PolarHBondContact O-N 3.46Å
167P79.3Confident79.4Confident90 Ų9060.4 Ų60.458%0.58433%0.325SS*.G310 helixtrans-52.8-32.4176-27.936.6000113.8D169 L170P167-D169 VanDerWaalsContact C-N 3.29Å; P167-D169 PolarHBondContact O-N 3.25Å; P167-L170 WeakPolarHBondContact O-CB 3.36Å; P167-L170 WeakPolarHBondContact O-CG 3.45Å; P167-L170 PolarHBondContact O-N 3.2Å
168E83.6Confident80Confident122 Ų12261.9 Ų61.957%0.5733%0.33SS*.G310 helixtrans-71.2-23.8178.2-54.276.1-154.800113R166 L170 S171R166-E168 WeakPolarHBondContact CB-OE2 3.36Å; R166-E168 PolarHBondContact O-N 3.31Å; R166-E168 VanDerWaalsContact O-N 3.1Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-S171 PolarHBondContact O-OG 3.1Å
169D86.6Confident81.1Confident8 Ų862.7 Ų62.74%0.04334%0.337CS..G310 helixtrans-80.1-17.1179.3-52-42.6000111.6Y137 L165 R166 P167 S171 I172 V173Y137-D169 WeakPolarHBondContact OH-CB 3.4Å; Y137-D169 PolarHBondContact OH-OD2 3.4Å; L165-D169 HydrophobicContact CD2-CB 4.36Å; L165-D169 HydrophobicContact CG-CB 4.32Å; R166-D169 WeakPolarHBondContact CB-OD2 3.29Å; R166-D169 IonicContact CZ-OD1 3.7Å; R166-D169 PolarHBondContact N-OD2 3.26Å; R166-D169 IonicContact NE-OD1 3.21Å; R166-D169 IonicContact NE-OD2 2.93Å; R166-D169 PolarHBondContact NE-OD2 2.88Å; R166-D169 IonicContact NH2-OD1 3.7Å; R166-D169 PolarHBondContact NH2-OD1 3.42Å; R166-D169 IonicContact NH2-OD2 3.75Å; R166-D169 WeakPolarHBondContact O-CB 3.23Å; R166-D169 PolarHBondContact O-N 3.46Å; P167-D169 VanDerWaalsContact C-N 3.29Å; P167-D169 PolarHBondContact O-N 3.25Å; D169-S171 VanDerWaalsContact C-N 3.29Å; D169-S171 PolarHBondContact O-N 2.86Å; D169-I172 WeakPolarHBondContact O-CB 3.42Å; D169-I172 PolarHBondContact O-N 3.09Å; D169-I172 VanDerWaalsContact O-N 3.07Å; D169-V173 PolarHBondContact O-N 3.49Å; D169-V173 VanDerWaalsContact O-N 3.14Å
170L92.4Very high82.8Confident21 Ų2156.1 Ų56.111%0.1130%0.302CS..Hα-helixtrans-58.9-38.2-178.3-63.2173.2000112.5L165 P167 E168 I172 V173 E174 V248 C251 V268L165-L170 HydrophobicContact CD2-CD2 3.38Å; L165-L170 HydrophobicContact CD2-CG 4.09Å; P167-L170 WeakPolarHBondContact O-CB 3.36Å; P167-L170 WeakPolarHBondContact O-CG 3.45Å; P167-L170 PolarHBondContact O-N 3.2Å; E168-L170 VanDerWaalsContact C-N 3.32Å; L170-I172 VanDerWaalsContact C-N 3.31Å; L170-I172 PolarHBondContact O-N 2.99Å; L170-V173 PolarHBondContact O-N 3.33Å; L170-E174 WeakPolarHBondContact O-CB 3.37Å; L170-E174 PolarHBondContact O-N 3.27Å; L170-V248 HydrophobicContact CB-CG1 4.26Å; L170-V248 HydrophobicContact CD2-CG1 3.71Å; L170-C251 HydrophobicContact CD2-CB 4Å; L170-V268 HydrophobicContact CD2-CG1 4.33Å
171S92.9Very high84.7Confident69 Ų6948.1 Ų48.148%0.48327%0.265SS..Hα-helixtrans-67.1-33.5178.1560000112.5E168 D169 E174 N175E168-S171 PolarHBondContact O-OG 3.1Å; D169-S171 VanDerWaalsContact C-N 3.29Å; D169-S171 PolarHBondContact O-N 2.86Å; S171-E174 PolarHBondContact O-N 3.13Å; S171-N175 WeakPolarHBondContact O-CB 3.13Å; S171-N175 VanDerWaalsContact O-CG 3.24Å; S171-N175 PolarHBondContact O-N 3.35Å; S171-N175 PolarHBondContact O-ND2 2.98Å
172I92.3Very high87Confident19 Ų1948.4 Ų48.410%0.09726%0.264CS..Hα-helixtrans-67.5-47.6177.1-59.1175.1000109.3L13 D169 L170 E174 N175 V176L13-I172 HydrophobicContact CB-CD1 3.7Å; L13-I172 VanDerWaalsContact O-CD1 3.23Å; L13-I172 WeakPolarHBondContact O-CD1 3.43Å; D169-I172 WeakPolarHBondContact O-CB 3.42Å; D169-I172 PolarHBondContact O-N 3.09Å; D169-I172 VanDerWaalsContact O-N 3.07Å; L170-I172 VanDerWaalsContact C-N 3.31Å; L170-I172 PolarHBondContact O-N 2.99Å; I172-E174 VanDerWaalsContact C-N 3.33Å; I172-E174 PolarHBondContact O-N 3.46Å; I172-N175 PolarHBondContact O-N 2.96Å; I172-V176 WeakPolarHBondContact O-CG2 3.35Å; I172-V176 PolarHBondContact O-N 3.5Å
173V94.3Very high89.1Confident0 Ų049.4 Ų49.40%027%0.269CS..Hα-helixtrans-60.9-42.1176.9178.80000111.2L129 A132 L133 Y137 L165 D169 L170 N175 V176 C177 V248L129-V173 HydrophobicContact CD1-CG1 3.59Å; A132-V173 HydrophobicContact CB-CG1 4.12Å; L133-V173 HydrophobicContact CD2-CG1 4.02Å; L133-V173 HydrophobicContact CD2-CG2 4.37Å; Y137-V173 HydrophobicContact CE2-CG2 4.01Å; L165-V173 HydrophobicContact CD1-CG2 4.3Å; D169-V173 PolarHBondContact O-N 3.49Å; D169-V173 VanDerWaalsContact O-N 3.14Å; L170-V173 PolarHBondContact O-N 3.33Å; V173-N175 PolarHBondContact O-N 3.47Å; V173-V176 PolarHBondContact O-N 3.26Å; V173-C177 PolarHBondContact O-N 2.99Å; V173-C177 PolarHBondContact O-SG 3.36Å; V173-V248 HydrophobicContact CG1-CG2 4.38Å
174E96.7Very high91.2Very high34 Ų3449.9 Ų49.916%0.15927%0.265CS..Hα-helixtrans-59.6-43.8175.9-173171.8128.100111.8L170 S171 I172 V176 C177 H178 L246 S247 V248L170-E174 WeakPolarHBondContact O-CB 3.37Å; L170-E174 PolarHBondContact O-N 3.27Å; S171-E174 PolarHBondContact O-N 3.13Å; I172-E174 VanDerWaalsContact C-N 3.33Å; I172-E174 PolarHBondContact O-N 3.46Å; E174-V176 PolarHBondContact O-N 3.31Å; E174-C177 WeakPolarHBondContact O-CB 3.32Å; E174-C177 PolarHBondContact O-N 2.87Å; E174-H178 PolarHBondContact O-CD2 3.08Å; E174-H178 PolarHBondContact O-N 2.88Å; E174-H178 IonicContact OE1-CE1 2.99Å; E174-H178 IonicContact OE1-NE2 2.9Å; E174-L246 HydrophobicContact CG-CD2 4.35Å; E174-S247 WeakPolarHBondContact OE2-CA 3.27Å; E174-S247 PolarHBondContact OE2-OG 2.92Å; E174-V248 HydrophobicContact CB-CB 4.09Å; E174-V248 HydrophobicContact CB-CG2 3.76Å; E174-V248 HydrophobicContact CG-CG2 4.26Å; E174-V248 PolarHBondContact OE2-N 3.36Å
175N95.9Very high92.7Very high60 Ų6048.8 Ų48.832%0.32125%0.251SS..Hα-helixtrans-66.4-35.8178.7-72.6-21.7000112.8E15 S171 I172 V173 H178 S179E15-N175 PolarHBondContact OE1-ND2 3.05Å; S171-N175 WeakPolarHBondContact O-CB 3.13Å; S171-N175 VanDerWaalsContact O-CG 3.24Å; S171-N175 PolarHBondContact O-N 3.35Å; S171-N175 PolarHBondContact O-ND2 2.98Å; I172-N175 PolarHBondContact O-N 2.96Å; V173-N175 PolarHBondContact O-N 3.47Å; N175-H178 PolarHBondContact O-N 3.39Å; N175-S179 PolarHBondContact O-N 3.23Å; N175-S179 PolarHBondContact O-OG 2.82Å
176V95.6Very high93.6Very high14 Ų1451.6 Ų51.69%0.08527%0.27CS..Hα-helixtrans-65.1-44171.5176.60000110.6L18 A132 I172 V173 E174 H178 S179 I180L18-V176 HydrophobicContact CD1-CG2 3.96Å; L18-V176 HydrophobicContact CD2-CG2 4.22Å; A132-V176 HydrophobicContact CB-CB 4.1Å; A132-V176 HydrophobicContact CB-CG1 3.71Å; I172-V176 WeakPolarHBondContact O-CG2 3.35Å; I172-V176 PolarHBondContact O-N 3.5Å; V173-V176 PolarHBondContact O-N 3.26Å; E174-V176 PolarHBondContact O-N 3.31Å; V176-H178 VanDerWaalsContact C-N 3.33Å; V176-H178 PolarHBondContact O-N 2.58Å; V176-S179 WeakPolarHBondContact O-CB 3.49Å; V176-S179 PolarHBondContact O-N 3.28Å; V176-S179 VanDerWaalsContact O-N 3.08Å; V176-I180 HydrophobicContact CG1-CD1 3.91Å; V176-I180 WeakPolarHBondContact O-CG1 3.23Å; V176-I180 PolarHBondContact O-N 2.82Å
177C97.7Very high94.4Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-57.7-43.9174.4-65.50000111.9V128 A132 V173 E174 S179 I180 C181 L246V128-C177 HydrophobicContact CG1-CB 3.89Å; A132-C177 VanDerWaalsContact CB-SG 3.5Å; V173-C177 PolarHBondContact O-N 2.99Å; V173-C177 PolarHBondContact O-SG 3.36Å; E174-C177 WeakPolarHBondContact O-CB 3.32Å; E174-C177 PolarHBondContact O-N 2.87Å; C177-S179 VanDerWaalsContact C-N 3.27Å; C177-S179 PolarHBondContact O-N 3.04Å; C177-I180 PolarHBondContact O-N 2.87Å; C177-C181 PolarHBondContact O-N 2.95Å; C177-C181 PolarHBondContact O-SG 2.79Å; C177-L246 HydrophobicContact CB-CD1 4.24Å; C177-L246 HydrophobicContact CB-CD2 3.74Å
178H97.5Very high95.3Very high58 Ų5846.2 Ų46.227%0.26924%0.241SC..Hα-helixtrans-63-35.3176.4-69.1172.9000112.3E174 N175 V176 C181 K182 L246E174-H178 PolarHBondContact O-CD2 3.08Å; E174-H178 PolarHBondContact O-N 2.88Å; E174-H178 IonicContact OE1-CE1 2.99Å; E174-H178 IonicContact OE1-NE2 2.9Å; N175-H178 PolarHBondContact O-N 3.39Å; V176-H178 VanDerWaalsContact C-N 3.33Å; V176-H178 PolarHBondContact O-N 2.58Å; H178-C181 PolarHBondContact O-N 2.83Å; H178-K182 VanDerWaalsContact O-CG 3.31Å; H178-K182 WeakPolarHBondContact O-CG 3.46Å; H178-K182 PolarHBondContact O-N 3.21Å; H178-K182 VanDerWaalsContact O-N 3.14Å; H178-L246 PolarHBondContact NE2-O 2.74Å
179S96.8Very high95.9Very high58 Ų5842.4 Ų42.441%0.40622%0.221SC..Hα-helixtrans-67.1-45.6176.9-56.90000110.7N175 V176 C177 C181 K182 E183N175-S179 PolarHBondContact O-N 3.23Å; N175-S179 PolarHBondContact O-OG 2.82Å; V176-S179 WeakPolarHBondContact O-CB 3.49Å; V176-S179 PolarHBondContact O-N 3.28Å; V176-S179 VanDerWaalsContact O-N 3.08Å; C177-S179 VanDerWaalsContact C-N 3.27Å; C177-S179 PolarHBondContact O-N 3.04Å; S179-C181 VanDerWaalsContact C-N 3.33Å; S179-C181 PolarHBondContact O-N 3.47Å; S179-K182 WeakPolarHBondContact O-CB 3.3Å; S179-K182 PolarHBondContact O-N 2.64Å; S179-K182 VanDerWaalsContact O-N 3.12Å; S179-E183 WeakPolarHBondContact O-CG 3.33Å; S179-E183 PolarHBondContact O-N 2.99Å
180I97.7Very high96.4Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-59.3-41.5174.3-66.8161.7000111.6V128 E131 A132 V176 C177 K182 E183 T240V128-I180 HydrophobicContact CB-CG2 4.47Å; V128-I180 HydrophobicContact CG1-CB 4.14Å; V128-I180 HydrophobicContact CG1-CG2 3.9Å; V128-I180 HydrophobicContact CG2-CG2 4.23Å; E131-I180 HydrophobicContact CB-CD1 3.92Å; E131-I180 HydrophobicContact CG-CD1 3.76Å; E131-I180 HydrophobicContact CG-CG1 4.46Å; E131-I180 WeakPolarHBondContact OE2-CG2 3.33Å; A132-I180 HydrophobicContact CB-CD1 4.06Å; V176-I180 HydrophobicContact CG1-CD1 3.91Å; V176-I180 WeakPolarHBondContact O-CG1 3.23Å; V176-I180 PolarHBondContact O-N 2.82Å; C177-I180 PolarHBondContact O-N 2.87Å; I180-K182 VanDerWaalsContact C-N 3.32Å; I180-K182 PolarHBondContact O-N 3.32Å; I180-E183 PolarHBondContact O-N 2.95Å; I180-T240 HydrophobicContact CG2-CG2 4.02Å; I180-T240 PolarHBondContact O-OG1 3.04Å
181C97.7Very high96.5Very high10 Ų1045.6 Ų45.67%0.06824%0.235CC..Hα-helixtrans-63.2-38.1176.7-65.40000112C177 H178 S179 E183 N184 G241C177-C181 PolarHBondContact O-N 2.95Å; C177-C181 PolarHBondContact O-SG 2.79Å; H178-C181 PolarHBondContact O-N 2.83Å; S179-C181 VanDerWaalsContact C-N 3.33Å; S179-C181 PolarHBondContact O-N 3.47Å; C181-E183 VanDerWaalsContact C-N 3.29Å; C181-E183 PolarHBondContact O-N 3.42Å; C181-N184 PolarHBondContact O-N 3.34Å; C181-G241 WeakPolarHBondContact O-CA 3.49Å; C181-G241 PolarHBondContact O-N 3.28Å
182K97.3Very high96.6Very high163 Ų16342.5 Ų42.571%0.70921%0.213SC*.Hα-helixtrans-68.9-26.2177.8-71.9168.9-175.3171.80113.2H178 S179 I180 N184H178-K182 VanDerWaalsContact O-CG 3.31Å; H178-K182 WeakPolarHBondContact O-CG 3.46Å; H178-K182 PolarHBondContact O-N 3.21Å; H178-K182 VanDerWaalsContact O-N 3.14Å; S179-K182 WeakPolarHBondContact O-CB 3.3Å; S179-K182 PolarHBondContact O-N 2.64Å; S179-K182 VanDerWaalsContact O-N 3.12Å; I180-K182 VanDerWaalsContact C-N 3.32Å; I180-K182 PolarHBondContact O-N 3.32Å; K182-N184 PolarHBondContact O-N 2.84Å; K182-N184 PolarHBondContact O-ND2 2.94Å
183E97.6Very high96.8Very high97 Ų9747.7 Ų47.745%0.45324%0.235SC..THydrogen-bonded Turntrans-69.7-13.4177.6-70.6171.9-155.900112.9R135 S179 I180 C181 Q185R135-E183 IonicContact NH1-OE1 3.93Å; R135-E183 IonicContact NH2-OE1 2.69Å; R135-E183 IonicContact NH2-OE2 2.63Å; S179-E183 WeakPolarHBondContact O-CG 3.33Å; S179-E183 PolarHBondContact O-N 2.99Å; I180-E183 PolarHBondContact O-N 2.95Å; C181-E183 VanDerWaalsContact C-N 3.29Å; C181-E183 PolarHBondContact O-N 3.42Å; E183-Q185 HydrophobicContact CB-CG 3.83Å; E183-Q185 PolarHBondContact O-N 3.29Å; E183-Q185 PolarHBondContact OE2-NE2 3.36Å
184N97.3Very high96.8Very high88 Ų8850.5 Ų50.547%0.47125%0.247SC..THydrogen-bonded Turntrans51.739.8-178.6-63-64000113.4C181 K182 H239 G241C181-N184 PolarHBondContact O-N 3.34Å; K182-N184 PolarHBondContact O-N 2.84Å; K182-N184 PolarHBondContact O-ND2 2.94Å; N184-H239 PolarHBondContact OD1-CE1 3.48Å; N184-H239 PolarHBondContact OD1-ND1 3.01Å; N184-G241 WeakPolarHBondContact OD1-CA 3.24Å
185Q98.2Very high96.8Very high11 Ų1155.3 Ų55.35%0.05127%0.27CS..PPolyproline II helixtrans-62.7126.5-177.8-56.7172.5-3.900109.8E131 E183 C225 G226 H239 T240E131-Q185 PolarHBondContact OE1-NE2 3.49Å; E131-Q185 PolarHBondContact OE2-OE1 3.48Å; E183-Q185 HydrophobicContact CB-CG 3.83Å; E183-Q185 PolarHBondContact O-N 3.29Å; E183-Q185 PolarHBondContact OE2-NE2 3.36Å; Q185-C225 VanDerWaalsContact OE1-C 3.22Å; Q185-C225 PolarHBondContact OE1-O 2.81Å; Q185-G226 VanDerWaalsContact CD-CA 3.49Å; Q185-G226 VanDerWaalsContact OE1-CA 3.31Å; Q185-H239 CarbonylContact O-C 3.51Å; Q185-H239 WeakPolarHBondContact O-CA 3.32Å; Q185-H239 VanDerWaalsContact O-CB 3.26Å; Q185-H239 WeakPolarHBondContact O-CB 3.39Å; Q185-T240 HydrophobicContact CB-CG2 3.91Å; Q185-T240 PolarHBondContact N-OG1 3.34Å; Q185-T240 PolarHBondContact O-N 2.92Å
186P97.8Very high96.8Very high67 Ų6753.9 Ų53.944%0.43526%0.262SS..BIsolated β-bridgetrans-69.3144.6179.428.6-34.1000110.8E188 R224P186-E188 HydrophobicContact CB-CG 4.39Å; P186-E188 HydrophobicContact CG-CG 4.36Å; P186-R224 VanDerWaalsContact O-O 3.14Å
187F98.1Very high96.8Very high19 Ų1953.2 Ų53.28%0.08326%0.258CS..EExtended strand (participates in β ladder)trans-86116.1165.5-75.8-89.6000109H127 Y223 R224 C225 H236 V237 R238 T240H127-F187 HydrophobicContact CB-CE1 3.8Å; H127-F187 HydrophobicContact CB-CZ 4.25Å; F187-Y223 HydrophobicContact CB-CD1 4.44Å; F187-R224 CarbonylContact C-O 3.58Å; F187-R224 WeakPolarHBondContact CA-O 3.03Å; F187-C225 HydrophobicContact CD1-CB 3.8Å; F187-C225 HydrophobicContact CE1-CB 3.68Å; F187-C225 HydrophobicContact CE2-CB 4.48Å; F187-C225 HydrophobicContact CG-CB 4.26Å; F187-C225 HydrophobicContact CZ-CB 4.04Å; F187-H236 HydrophobicContact CB-CB 3.86Å; F187-H236 HydrophobicContact CD1-CB 3.61Å; F187-H236 AromaticContact CD1-CG 3.66Å; F187-H236 HydrophobicContact CD2-CB 4.28Å; F187-H236 HydrophobicContact CE1-CB 4.2Å; F187-H236 AromaticContact CE1-CG 3.98Å; F187-H236 HydrophobicContact CG-CB 3.65Å; F187-V237 WeakPolarHBondContact CB-O 3.24Å; F187-V237 HydrophobicContact CD2-CG2 4Å; F187-V237 WeakPolarHBondContact CD2-O 3.24Å; F187-V237 HydrophobicContact CE2-CG2 3.75Å; F187-V237 WeakPolarHBondContact CG-O 3.46Å; F187-R238 PolarHBondContact N-O 2.73Å; F187-R238 VanDerWaalsContact N-O 3.1Å; F187-T240 HydrophobicContact CE2-CG2 3.95Å; F187-T240 HydrophobicContact CZ-CG2 4.21Å
188E97.1Very high96.7Very high52 Ų5255.5 Ų55.524%0.24327%0.27CS..EExtended strand (participates in β ladder)trans-111.9127.9-178.4-58.4-176.289.200109.8W32 P186 Y223 R224W32-E188 HydrophobicContact CH2-CB 4.37Å; W32-E188 VanDerWaalsContact CH2-O 3.29Å; W32-E188 WeakPolarHBondContact CH2-O 3.43Å; W32-E188 HydrophobicContact CZ2-CB 3.74Å; P186-E188 HydrophobicContact CB-CG 4.39Å; P186-E188 HydrophobicContact CG-CG 4.36Å; E188-Y223 CarbonylContact O-C 3.59Å; E188-Y223 VanDerWaalsContact O-CA 3.28Å; E188-Y223 WeakPolarHBondContact O-CA 3.44Å; E188-R224 HydrophobicContact CB-CB 4.44Å; E188-R224 PolarHBondContact N-O 2.84Å; E188-R224 PolarHBondContact O-N 3.14Å; E188-R224 IonicContact OE2-NH1 3.78Å; E188-R224 PolarHBondContact OE2-NH1 2.89Å
189R96.4Very high96.7Very high43 Ų4357.8 Ų57.816%0.16228%0.279CS..EExtended strand (participates in β ladder)trans-91.7141.6178-176-175.8178.5-83.12.4110.8E191 T221 Y223R189-E191 IonicContact NH2-OE2 2.81Å; R189-T221 VanDerWaalsContact CZ-CG2 3.49Å; R189-Y223 HydrophobicContact CB-CD1 4.19Å; R189-Y223 HydrophobicContact CB-CE1 3.61Å; R189-Y223 HydrophobicContact CB-CE2 4.28Å; R189-Y223 WeakPolarHBondContact CD-OH 3.46Å; R189-Y223 HydrophobicContact CG-CE1 4.15Å; R189-Y223 HydrophobicContact CG-CE2 3.92Å
190L96.6Very high96.7Very high2 Ų255 Ų551%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-141.1139.1165.4-172.762.1000110.6W32 L35 K36 Y39 M192 T221 V222W32-L190 HydrophobicContact CE3-CD2 4.25Å; W32-L190 HydrophobicContact CH2-CB 3.61Å; W32-L190 HydrophobicContact CZ2-CB 4.34Å; W32-L190 HydrophobicContact CZ3-CB 3.72Å; W32-L190 HydrophobicContact CZ3-CD2 4.24Å; L35-L190 HydrophobicContact CB-CD2 3.71Å; K36-L190 HydrophobicContact CD-CD1 4.35Å; Y39-L190 HydrophobicContact CD1-CD1 4.07Å; Y39-L190 HydrophobicContact CD2-CD1 4.08Å; Y39-L190 HydrophobicContact CG-CD1 3.58Å; L190-M192 HydrophobicContact CB-CG 4.47Å; L190-M192 HydrophobicContact CD2-CG 3.77Å; L190-M192 HydrophobicContact CD2-SD 3.97Å; L190-M192 HydrophobicContact CG-CG 3.85Å; L190-T221 CarbonylContact O-C 3.58Å; L190-T221 WeakPolarHBondContact O-CA 3.42Å; L190-V222 PolarHBondContact N-O 2.95Å; L190-V222 PolarHBondContact O-N 3.44Å
191E95Very high96.6Very high93 Ų9355 Ų5544%0.43526%0.26SS..EExtended strand (participates in β ladder)trans-92.7124.2167.9-172.4172.5149.600109.1R189 T219 T220R189-E191 IonicContact NH2-OE2 2.81Å; E191-T219 HydrophobicContact CG-CG2 4.43Å; E191-T219 WeakPolarHBondContact OE1-CB 3.39Å; E191-T219 PolarHBondContact OE1-OG1 2.97Å; E191-T220 WeakPolarHBondContact CA-O 3.07Å
192M95.6Very high96.5Very high5 Ų557.9 Ų57.93%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-125.1145.5-172.4-71.1-173.952.200111.3L35 L190 D196 L197 M200 T219 T220 V222L35-M192 HydrophobicContact CD1-CE 3.34Å; L35-M192 HydrophobicContact CD1-CG 4.3Å; L35-M192 HydrophobicContact CD1-SD 4Å; L190-M192 HydrophobicContact CB-CG 4.47Å; L190-M192 HydrophobicContact CD2-CG 3.77Å; L190-M192 HydrophobicContact CD2-SD 3.97Å; L190-M192 HydrophobicContact CG-CG 3.85Å; M192-D196 HydrophobicContact CE-CB 3.83Å; M192-L197 HydrophobicContact CB-CD2 3.84Å; M192-L197 HydrophobicContact CB-CG 4.11Å; M192-L197 HydrophobicContact CE-CD2 4.15Å; M192-L197 HydrophobicContact SD-CD2 4.35Å; M192-M200 HydrophobicContact CE-CE 3.65Å; M192-M200 HydrophobicContact CE-SD 3.93Å; M192-M200 HydrophobicContact SD-CE 3.93Å; M192-M200 HydrophobicContact SD-SD 4.14Å; M192-T219 CarbonylContact O-C 3.59Å; M192-T219 WeakPolarHBondContact O-CA 3.37Å; M192-T219 WeakPolarHBondContact O-CB 3.36Å; M192-T220 PolarHBondContact N-O 3.35Å; M192-T220 PolarHBondContact O-N 3.24Å; M192-V222 HydrophobicContact CB-CG2 4.14Å; M192-V222 HydrophobicContact CG-CG2 4.1Å; M192-V222 HydrophobicContact SD-CB 4.07Å; M192-V222 HydrophobicContact SD-CG1 4.39Å; M192-V222 HydrophobicContact SD-CG2 3.71Å
193K96Very high96.3Very high128 Ų12852.6 Ų52.656%0.55726%0.26SS*.EExtended strand (participates in β ladder)trans-71.3147.7174.3-65.2176.5-178.7175.80110.9E195 D196 L197 T219K193-E195 PolarHBondContact O-N 3.27Å; K193-E195 VanDerWaalsContact O-N 3.14Å; K193-D196 PolarHBondContact O-N 2.85Å; K193-L197 WeakPolarHBondContact O-CG 3.35Å; K193-L197 PolarHBondContact O-N 3.01Å; K193-L197 VanDerWaalsContact O-N 3.08Å; K193-T219 HydrophobicContact CG-CG2 4.07Å
194K95Very high96.1Very high58 Ų5848 Ų4825%0.25224%0.239SC..Hα-helixtrans-50.6-39.8177.2-164.8166.6-175.8161.40113.3D196 L197 L198 I211 I215 P218K194-D196 PolarHBondContact O-N 3.47Å; K194-L197 PolarHBondContact O-N 3.15Å; K194-L198 HydrophobicContact CG-CD1 4.48Å; K194-L198 WeakPolarHBondContact O-CG 3.26Å; K194-L198 PolarHBondContact O-N 3.34Å; K194-I211 HydrophobicContact CD-CG2 4.27Å; K194-I211 WeakPolarHBondContact CE-O 3.34Å; K194-I211 HydrophobicContact CG-CG2 3.64Å; K194-I211 PolarHBondContact NZ-O 3.23Å; K194-I215 PolarHBondContact NZ-O 2.82Å; K194-P218 PolarHBondContact N-O 2.88Å
195E95.6Very high96Very high135 Ų13547.1 Ų47.163%0.63123%0.232SC*.Hα-helixtrans-62.5-41177.4-65176.6-16700113.4K193 K199K193-E195 PolarHBondContact O-N 3.27Å; K193-E195 VanDerWaalsContact O-N 3.14Å; E195-K199 WeakPolarHBondContact O-CG 3.45Å; E195-K199 PolarHBondContact O-N 2.9Å
196D96Very high95.8Very high30 Ų3046.6 Ų46.616%0.1623%0.229CC..Hα-helixtrans-76.7-31-179.2-63.2-41.6000111.5L35 M192 K193 K194 K199 M200L35-D196 HydrophobicContact CD1-CB 4.02Å; M192-D196 HydrophobicContact CE-CB 3.83Å; K193-D196 PolarHBondContact O-N 2.85Å; K194-D196 PolarHBondContact O-N 3.47Å; D196-K199 PolarHBondContact O-N 3.31Å; D196-K199 IonicContact OD1-NZ 3.6Å; D196-K199 PolarHBondContact OD1-NZ 3.34Å; D196-M200 VanDerWaalsContact O-CB 3.26Å; D196-M200 WeakPolarHBondContact O-CB 3.45Å; D196-M200 PolarHBondContact O-N 2.93Å
197L95.9Very high95.7Very high1 Ų143.7 Ų43.71%0.00521%0.21CC..Hα-helixtrans-62.3-46.7170.7-63.3169.7000111.8M192 K193 K194 K199 M200 F201 I211 T220 V222 L231M192-L197 HydrophobicContact CB-CD2 3.84Å; M192-L197 HydrophobicContact CB-CG 4.11Å; M192-L197 HydrophobicContact CE-CD2 4.15Å; M192-L197 HydrophobicContact SD-CD2 4.35Å; K193-L197 WeakPolarHBondContact O-CG 3.35Å; K193-L197 PolarHBondContact O-N 3.01Å; K193-L197 VanDerWaalsContact O-N 3.08Å; K194-L197 PolarHBondContact O-N 3.15Å; L197-K199 VanDerWaalsContact C-N 3.29Å; L197-K199 PolarHBondContact O-N 2.89Å; L197-M200 PolarHBondContact O-N 3.48Å; L197-M200 VanDerWaalsContact O-N 3.13Å; L197-F201 HydrophobicContact CD2-CE2 4.31Å; L197-F201 WeakPolarHBondContact O-CD2 3.42Å; L197-F201 PolarHBondContact O-N 3.42Å; L197-I211 HydrophobicContact CB-CD1 3.74Å; L197-I211 HydrophobicContact CB-CG1 4.41Å; L197-T220 HydrophobicContact CD1-CG2 3.29Å; L197-T220 HydrophobicContact CD2-CG2 4.37Å; L197-T220 HydrophobicContact CG-CG2 4.45Å; L197-V222 HydrophobicContact CD2-CG2 3.2Å; L197-L231 HydrophobicContact CD1-CD1 4.11Å; L197-L231 HydrophobicContact CD2-CD1 4.04Å
198L96.3Very high95.6Very high47 Ų4743.8 Ų43.825%0.24621%0.213CC..Hα-helixtrans-64-35.3178.4-70.6170.8000111.7K194 A202 C208 I211 H212K194-L198 HydrophobicContact CG-CD1 4.48Å; K194-L198 WeakPolarHBondContact O-CG 3.26Å; K194-L198 PolarHBondContact O-N 3.34Å; L198-A202 WeakPolarHBondContact O-CA 3.17Å; L198-A202 WeakPolarHBondContact O-CB 3.36Å; L198-A202 PolarHBondContact O-N 3.35Å; L198-A202 VanDerWaalsContact O-N 3.14Å; L198-C208 HydrophobicContact CD2-CB 4.32Å; L198-I211 HydrophobicContact CD2-CB 4.18Å; L198-I211 HydrophobicContact CD2-CD1 4.32Å; L198-I211 HydrophobicContact CD2-CG2 3.85Å; L198-I211 HydrophobicContact CG-CG2 4.02Å; L198-H212 WeakPolarHBondContact CD2-NE2 3.47Å
199K96.4Very high95.5Very high106 Ų10644.3 Ų44.346%0.46121%0.213SC..Hα-helixtrans-67-39.9171.3-68.8169.1-161.9156.90112.3H27 L31 E195 D196 L197H27-K199 PolarHBondContact NE2-O 3.07Å; L31-K199 HydrophobicContact CD1-CB 4.32Å; E195-K199 WeakPolarHBondContact O-CG 3.45Å; E195-K199 PolarHBondContact O-N 2.9Å; D196-K199 PolarHBondContact O-N 3.31Å; D196-K199 IonicContact OD1-NZ 3.6Å; D196-K199 PolarHBondContact OD1-NZ 3.34Å; L197-K199 VanDerWaalsContact C-N 3.29Å; L197-K199 PolarHBondContact O-N 2.89Å
200M96.2Very high95.4Very high0 Ų043.1 Ų43.10%021%0.209CC..Hα-helixtrans-70-42.5-177.8-179.3173.7-82.500112.3R28 L31 W32 M192 D196 L197 I229R28-M200 HydrophobicContact CB-CG 4.2Å; R28-M200 HydrophobicContact CG-CG 3.75Å; L31-M200 HydrophobicContact CB-CE 3.83Å; L31-M200 HydrophobicContact CD1-CB 4.08Å; W32-M200 HydrophobicContact CB-CE 4.35Å; M192-M200 HydrophobicContact CE-CE 3.65Å; M192-M200 HydrophobicContact CE-SD 3.93Å; M192-M200 HydrophobicContact SD-CE 3.93Å; M192-M200 HydrophobicContact SD-SD 4.14Å; D196-M200 VanDerWaalsContact O-CB 3.26Å; D196-M200 WeakPolarHBondContact O-CB 3.45Å; D196-M200 PolarHBondContact O-N 2.93Å; L197-M200 PolarHBondContact O-N 3.48Å; L197-M200 VanDerWaalsContact O-N 3.13Å; M200-I229 HydrophobicContact CE-CG2 4.21Å; M200-I229 HydrophobicContact SD-CG2 3.51Å; M200-I229 VanDerWaalsContact SD-CG2 3.51Å
201F96.1Very high95.3Very high1 Ų143 Ų430%0.00421%0.209CC..SBendtrans-100.516-176.9-65.4-71.2000113.7L197 Y203 N204 K207 C208 I211 I229 L231L197-F201 HydrophobicContact CD2-CE2 4.31Å; L197-F201 WeakPolarHBondContact O-CD2 3.42Å; L197-F201 PolarHBondContact O-N 3.42Å; F201-Y203 HydrophobicContact CD1-CE1 4.33Å; F201-Y203 PolarHBondContact O-N 3.22Å; F201-N204 CarbonylContact O-C 3.51Å; F201-N204 WeakPolarHBondContact O-CA 3.44Å; F201-N204 PolarHBondContact O-N 2.97Å; F201-K207 HydrophobicContact CB-CB 3.88Å; F201-K207 HydrophobicContact CD1-CB 4.08Å; F201-K207 HydrophobicContact CD1-CG 4.06Å; F201-K207 HydrophobicContact CE1-CG 4.49Å; F201-K207 HydrophobicContact CG-CB 3.95Å; F201-K207 HydrophobicContact CG-CG 4.43Å; F201-C208 PolarHBondContact O-SG 2.95Å; F201-I211 HydrophobicContact CB-CD1 4.48Å; F201-I211 HydrophobicContact CD2-CD1 4.08Å; F201-I229 WeakPolarHBondContact CE1-O 3.29Å; F201-L231 HydrophobicContact CE2-CB 4.04Å; F201-L231 HydrophobicContact CZ-CB 4.2Å
202A95.4Very high95.3Very high70 Ų7044 Ų4458%0.57921%0.213SC*.THydrogen-bonded Turntrans-53.2-28.7-17700000114.3L198L198-A202 WeakPolarHBondContact O-CA 3.17Å; L198-A202 WeakPolarHBondContact O-CB 3.36Å; L198-A202 PolarHBondContact O-N 3.35Å; L198-A202 VanDerWaalsContact O-N 3.14Å
203Y93.1Very high95.1Very high51 Ų5149 Ų4920%0.224%0.236CC..THydrogen-bonded Turntrans-73.9-24.6176.275.2-82.2000113.6F24 R28 H140 F201F24-Y203 HydrophobicContact CB-CD1 3.54Å; F24-Y203 HydrophobicContact CB-CD2 3.82Å; F24-Y203 HydrophobicContact CB-CE1 3.75Å; F24-Y203 HydrophobicContact CB-CE2 4Å; F24-Y203 HydrophobicContact CB-CG 3.57Å; F24-Y203 AromaticContact CD1-CD2 3.39Å; F24-Y203 HydrophobicContact CD1-CD2 3.39Å; F24-Y203 AromaticContact CD1-CE2 3.48Å; F24-Y203 HydrophobicContact CD1-CE2 3.48Å; F24-Y203 VanDerWaalsContact CD1-CE2 3.48Å; F24-Y203 HydrophobicContact CD1-CG 4.02Å; F24-Y203 HydrophobicContact CD2-CD2 4.13Å; F24-Y203 AromaticContact CD2-CE1 3.95Å; F24-Y203 HydrophobicContact CD2-CE1 3.95Å; F24-Y203 AromaticContact CD2-CE2 3.47Å; F24-Y203 HydrophobicContact CD2-CE2 3.47Å; F24-Y203 VanDerWaalsContact CD2-CE2 3.47Å; F24-Y203 AromaticContact CD2-CZ 3.36Å; F24-Y203 WeakPolarHBondContact CD2-OH 3.33Å; F24-Y203 AromaticContact CE1-CD2 3.87Å; F24-Y203 HydrophobicContact CE1-CD2 3.87Å; F24-Y203 AromaticContact CE1-CE2 3.65Å; F24-Y203 HydrophobicContact CE1-CE2 3.65Å; F24-Y203 AromaticContact CE2-CE2 3.67Å; F24-Y203 HydrophobicContact CE2-CE2 3.67Å; F24-Y203 AromaticContact CE2-CZ 3.79Å; F24-Y203 HydrophobicContact CG-CD1 4.06Å; F24-Y203 AromaticContact CG-CD2 3.54Å; F24-Y203 HydrophobicContact CG-CD2 3.54Å; F24-Y203 AromaticContact CG-CE1 3.95Å; F24-Y203 HydrophobicContact CG-CE1 3.95Å; F24-Y203 AromaticContact CG-CE2 3.38Å; F24-Y203 HydrophobicContact CG-CE2 3.38Å; F24-Y203 AromaticContact CG-CG 3.87Å; F24-Y203 HydrophobicContact CG-CG 3.87Å; F24-Y203 AromaticContact CG-CZ 3.6Å; F24-Y203 HydrophobicContact CZ-CD2 4.43Å; F24-Y203 AromaticContact CZ-CE2 3.74Å; F24-Y203 HydrophobicContact CZ-CE2 3.74Å; R28-Y203 HydrophobicContact CG-CE1 4.33Å; R28-Y203 PolarHBondContact NH1-OH 2.93Å; R28-Y203 VanDerWaalsContact NH1-OH 3.09Å; H140-Y203 PolarHBondContact CE1-O 3.15Å; H140-Y203 AromaticContact NE2-CD2 3.92Å; F201-Y203 HydrophobicContact CD1-CE1 4.33Å; F201-Y203 PolarHBondContact O-N 3.22Å
204N94.8Very high94.8Very high1 Ų148.5 Ų48.51%0.00523%0.234CC..  trans-108.794.5-172.4-174.2-24.8000110.2L141 F201 F206 K207 C208L141-N204 PolarHBondContact N-ND2 2.78Å; L141-N204 PolarHBondContact O-ND2 3.17Å; F201-N204 CarbonylContact O-C 3.51Å; F201-N204 WeakPolarHBondContact O-CA 3.44Å; F201-N204 PolarHBondContact O-N 2.97Å; N204-F206 PolarHBondContact O-N 3.39Å; N204-F206 VanDerWaalsContact O-N 3.16Å; N204-F206 WeakPolarHBondContact OD1-CB 3.38Å; N204-F206 PolarHBondContact OD1-N 3.18Å; N204-F206 VanDerWaalsContact OD1-N 3.12Å; N204-K207 HydrophobicContact CB-CB 4.28Å; N204-K207 HydrophobicContact CB-CG 4.3Å; N204-K207 WeakPolarHBondContact ND2-CG 3.31Å; N204-K207 PolarHBondContact O-N 3.24Å; N204-K207 PolarHBondContact OD1-N 2.87Å; N204-C208 PolarHBondContact O-N 2.98Å; N204-C208 VanDerWaalsContact O-N 3.1Å
205E93.9Very high94.6Very high69 Ų6946.3 Ų46.332%0.32223%0.225SC..Hα-helixtrans-54.9-34.1-179.764.2178.9154.900113.5C208 R209E205-C208 WeakPolarHBondContact O-CB 3.3Å; E205-C208 PolarHBondContact O-N 3.26Å; E205-R209 VanDerWaalsContact O-CG 3.27Å; E205-R209 WeakPolarHBondContact O-CG 3.38Å; E205-R209 PolarHBondContact O-N 3Å; E205-R209 IonicContact OE2-CZ 2.73Å; E205-R209 IonicContact OE2-NH2 3.22Å; E205-R209 PolarHBondContact OE2-NH2 3.43Å
206F94.9Very high94.4Very high0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-69.6-43.8-177.7-60.6-77.2000111.7H140 C142 W156 N204 C208 R209 I210 W256 E263 L265H140-F206 HydrophobicContact CB-CD2 4.18Å; C142-F206 VanDerWaalsContact SG-CB 3.58Å; C142-F206 WeakPolarHBondContact SG-CG 3.5Å; W156-F206 HydrophobicContact CB-CD2 4Å; W156-F206 HydrophobicContact CB-CE2 3.26Å; W156-F206 HydrophobicContact CB-CZ 3.69Å; W156-F206 AromaticContact CD1-CZ 3.8Å; W156-F206 AromaticContact CD2-CE2 3.63Å; W156-F206 HydrophobicContact CD2-CE2 3.63Å; W156-F206 HydrophobicContact CD2-CZ 4.04Å; W156-F206 AromaticContact CE3-CE2 3.87Å; W156-F206 HydrophobicContact CE3-CE2 3.87Å; W156-F206 AromaticContact CG-CE2 3.38Å; W156-F206 HydrophobicContact CG-CE2 3.38Å; W156-F206 AromaticContact CG-CZ 3.58Å; W156-F206 HydrophobicContact CG-CZ 3.58Å; N204-F206 PolarHBondContact O-N 3.39Å; N204-F206 VanDerWaalsContact O-N 3.16Å; N204-F206 WeakPolarHBondContact OD1-CB 3.38Å; N204-F206 PolarHBondContact OD1-N 3.18Å; N204-F206 VanDerWaalsContact OD1-N 3.12Å; F206-C208 VanDerWaalsContact C-N 3.34Å; F206-R209 PolarHBondContact O-N 3.23Å; F206-I210 WeakPolarHBondContact O-CG1 3.44Å; F206-I210 PolarHBondContact O-N 3.49Å; F206-W256 HydrophobicContact CB-CE3 4.35Å; F206-W256 HydrophobicContact CB-CH2 3.68Å; F206-W256 HydrophobicContact CB-CZ2 4.49Å; F206-W256 HydrophobicContact CB-CZ3 3.61Å; F206-W256 AromaticContact CD1-CD2 3.6Å; F206-W256 HydrophobicContact CD1-CD2 3.6Å; F206-W256 AromaticContact CD1-CE3 3.24Å; F206-W256 HydrophobicContact CD1-CE3 3.24Å; F206-W256 HydrophobicContact CD1-CG 4.31Å; F206-W256 AromaticContact CD1-CH2 3.91Å; F206-W256 HydrophobicContact CD1-CH2 3.91Å; F206-W256 HydrophobicContact CD1-CZ2 4.23Å; F206-W256 AromaticContact CD1-CZ3 3.42Å; F206-W256 HydrophobicContact CD1-CZ3 3.42Å; F206-W256 VanDerWaalsContact CD1-CZ3 3.42Å; F206-W256 HydrophobicContact CE1-CB 4.44Å; F206-W256 HydrophobicContact CE1-CD2 4.02Å; F206-W256 AromaticContact CE1-CE3 3.86Å; F206-W256 HydrophobicContact CE1-CE3 3.86Å; F206-W256 HydrophobicContact CE1-CG 4.28Å; F206-W256 HydrophobicContact CE1-CZ3 4.44Å; F206-W256 HydrophobicContact CG-CE3 4.14Å; F206-W256 HydrophobicContact CG-CH2 4.29Å; F206-W256 AromaticContact CG-CZ3 3.89Å; F206-W256 HydrophobicContact CG-CZ3 3.89Å; F206-E263 HydrophobicContact CE1-CB 4.01Å; F206-E263 HydrophobicContact CE1-CG 4.2Å; F206-E263 HydrophobicContact CZ-CB 3.94Å; F206-E263 HydrophobicContact CZ-CG 4.06Å; F206-L265 HydrophobicContact CE1-CD2 3.98Å; F206-L265 HydrophobicContact CZ-CD2 4.04Å
207K95.3Very high94.3Very high6 Ų648.5 Ų48.53%0.02624%0.244CC..Hα-helixtrans-65.2-39.5173.7-67.3-64.8-167-176.60111.1L141 C142 Y153 F201 N204 I210 I211 D230 L231L141-K207 WeakPolarHBondContact O-CE 3.39Å; C142-K207 PolarHBondContact O-NZ 2.72Å; Y153-K207 PolarHBondContact OH-NZ 3.26Å; F201-K207 HydrophobicContact CB-CB 3.88Å; F201-K207 HydrophobicContact CD1-CB 4.08Å; F201-K207 HydrophobicContact CD1-CG 4.06Å; F201-K207 HydrophobicContact CE1-CG 4.49Å; F201-K207 HydrophobicContact CG-CB 3.95Å; F201-K207 HydrophobicContact CG-CG 4.43Å; N204-K207 HydrophobicContact CB-CB 4.28Å; N204-K207 HydrophobicContact CB-CG 4.3Å; N204-K207 WeakPolarHBondContact ND2-CG 3.31Å; N204-K207 PolarHBondContact O-N 3.24Å; N204-K207 PolarHBondContact OD1-N 2.87Å; K207-I210 HydrophobicContact CD-CD1 4.31Å; K207-I210 PolarHBondContact O-N 3.3Å; K207-I211 WeakPolarHBondContact O-CD1 3.49Å; K207-I211 WeakPolarHBondContact O-CG1 3.45Å; K207-I211 PolarHBondContact O-N 3Å; K207-D230 WeakPolarHBondContact CE-OD1 3.47Å; K207-D230 IonicContact NZ-OD1 3.1Å; K207-D230 PolarHBondContact NZ-OD1 3.06Å; K207-D230 IonicContact NZ-OD2 3.55Å; K207-L231 HydrophobicContact CD-CB 4.22Å; K207-L231 HydrophobicContact CD-CD2 4.47Å
208C96.2Very high94.2Very high22 Ų2253.6 Ų53.615%0.14928%0.277CS..Hα-helixtrans-59.5-45.2173.5-720000112.3L198 F201 N204 E205 F206 I211 H212L198-C208 HydrophobicContact CD2-CB 4.32Å; F201-C208 PolarHBondContact O-SG 2.95Å; N204-C208 PolarHBondContact O-N 2.98Å; N204-C208 VanDerWaalsContact O-N 3.1Å; E205-C208 WeakPolarHBondContact O-CB 3.3Å; E205-C208 PolarHBondContact O-N 3.26Å; F206-C208 VanDerWaalsContact C-N 3.34Å; C208-I211 PolarHBondContact O-N 3.36Å; C208-H212 PolarHBondContact O-CD2 3.28Å; C208-H212 PolarHBondContact O-N 2.92Å
209R95Very high94.1Very high62 Ų6253.4 Ų53.423%0.23428%0.278CS..Hα-helixtrans-58.8-48.4174.4-69.4171.6-158.6-168.45.5111.4E205 F206 I211 H212 E213 W256 E263E205-R209 VanDerWaalsContact O-CG 3.27Å; E205-R209 WeakPolarHBondContact O-CG 3.38Å; E205-R209 PolarHBondContact O-N 3Å; E205-R209 IonicContact OE2-CZ 2.73Å; E205-R209 IonicContact OE2-NH2 3.22Å; E205-R209 PolarHBondContact OE2-NH2 3.43Å; F206-R209 PolarHBondContact O-N 3.23Å; R209-I211 VanDerWaalsContact C-N 3.31Å; R209-I211 PolarHBondContact O-N 2.87Å; R209-H212 PolarHBondContact O-N 3.01Å; R209-H212 VanDerWaalsContact O-N 3.12Å; R209-E213 WeakPolarHBondContact O-CB 3.32Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 2.93Å; R209-W256 HydrophobicContact CB-CZ2 4.18Å; R209-E263 IonicContact CZ-OE1 3.93Å; R209-E263 VanDerWaalsContact CZ-OE1 3.22Å; R209-E263 VanDerWaalsContact NH1-CD 3.3Å; R209-E263 IonicContact NH1-OE1 3.53Å; R209-E263 PolarHBondContact NH1-OE1 3.23Å; R209-E263 IonicContact NH1-OE2 2.63Å; R209-E263 PolarHBondContact NH1-OE2 3.22Å; R209-E263 VanDerWaalsContact NH1-OE2 3.15Å; R209-E263 IonicContact NH2-OE1 3.44Å; R209-E263 PolarHBondContact NH2-OE1 3.35Å
210I93.7Very high94Very high18 Ų1849.1 Ų49.19%0.09226%0.26CS..Hα-helixtrans-55.9-45.6175.6-67.7163.5000111.3Y143 F206 K207 H212 E213 K214 L231 W256Y143-I210 HydrophobicContact CD1-CD1 4.23Å; Y143-I210 HydrophobicContact CE1-CD1 3.72Å; Y143-I210 HydrophobicContact CE1-CG1 4.07Å; Y143-I210 HydrophobicContact CE2-CD1 4.5Å; F206-I210 WeakPolarHBondContact O-CG1 3.44Å; F206-I210 PolarHBondContact O-N 3.49Å; K207-I210 HydrophobicContact CD-CD1 4.31Å; K207-I210 PolarHBondContact O-N 3.3Å; I210-H212 VanDerWaalsContact C-N 3.34Å; I210-H212 PolarHBondContact O-N 3.38Å; I210-E213 PolarHBondContact O-N 2.95Å; I210-K214 HydrophobicContact CG2-CB 4.35Å; I210-K214 WeakPolarHBondContact O-CB 3.41Å; I210-K214 PolarHBondContact O-N 2.91Å; I210-L231 HydrophobicContact CB-CD2 4.34Å; I210-L231 HydrophobicContact CG2-CD2 3.77Å; I210-W256 HydrophobicContact CD1-CH2 3.82Å; I210-W256 HydrophobicContact CG1-CH2 3.8Å; I210-W256 HydrophobicContact CG1-CZ2 4.28Å
211I94.9Very high93.9Very high0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-62.2-42.4178.8-68159.1000111K194 L197 L198 F201 K207 C208 R209 I215 L231K194-I211 HydrophobicContact CD-CG2 4.27Å; K194-I211 WeakPolarHBondContact CE-O 3.34Å; K194-I211 HydrophobicContact CG-CG2 3.64Å; K194-I211 PolarHBondContact NZ-O 3.23Å; L197-I211 HydrophobicContact CB-CD1 3.74Å; L197-I211 HydrophobicContact CB-CG1 4.41Å; L198-I211 HydrophobicContact CD2-CB 4.18Å; L198-I211 HydrophobicContact CD2-CD1 4.32Å; L198-I211 HydrophobicContact CD2-CG2 3.85Å; L198-I211 HydrophobicContact CG-CG2 4.02Å; F201-I211 HydrophobicContact CB-CD1 4.48Å; F201-I211 HydrophobicContact CD2-CD1 4.08Å; K207-I211 WeakPolarHBondContact O-CD1 3.49Å; K207-I211 WeakPolarHBondContact O-CG1 3.45Å; K207-I211 PolarHBondContact O-N 3Å; C208-I211 PolarHBondContact O-N 3.36Å; R209-I211 VanDerWaalsContact C-N 3.31Å; R209-I211 PolarHBondContact O-N 2.87Å; I211-I215 HydrophobicContact CG1-CD1 4.22Å; I211-I215 WeakPolarHBondContact O-CB 3.48Å; I211-L231 HydrophobicContact CD1-CD2 4.23Å; I211-L231 HydrophobicContact CG1-CD1 4.28Å; I211-L231 HydrophobicContact CG1-CD2 3.56Å
212H94.6Very high94Very high115 Ų11549.7 Ų49.753%0.53226%0.264SS..Hα-helixtrans-69-44.5179.5-77.3-60.3000112.6L198 C208 R209 I210L198-H212 WeakPolarHBondContact CD2-NE2 3.47Å; C208-H212 PolarHBondContact O-CD2 3.28Å; C208-H212 PolarHBondContact O-N 2.92Å; R209-H212 PolarHBondContact O-N 3.01Å; R209-H212 VanDerWaalsContact O-N 3.12Å; I210-H212 VanDerWaalsContact C-N 3.34Å; I210-H212 PolarHBondContact O-N 3.38Å
213E92.6Very high94.1Very high109 Ų10946.5 Ų46.551%0.50924%0.237SC..Hα-helixtrans-94.9-30.5-165.3-64.6168.2-17300114.1R209 I210R209-E213 WeakPolarHBondContact O-CB 3.32Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 2.93Å; I210-E213 PolarHBondContact O-N 2.95Å
214K89Confident94.3Very high118 Ų11846.4 Ų46.451%0.51324%0.236SC..Hα-helixtrans-113.2-7.3-171.6-56.1-65.4-177.4-175.90114.1I210I210-K214 HydrophobicContact CG2-CB 4.35Å; I210-K214 WeakPolarHBondContact O-CB 3.41Å; I210-K214 PolarHBondContact O-N 2.91Å
215I90.8Very high94.3Very high11 Ų1146.4 Ų46.46%0.05624%0.236CC..  trans-112.5103.7179.9-51.3-171.4000109.4K194 I211 T220 L231K194-I215 PolarHBondContact NZ-O 2.82Å; I211-I215 HydrophobicContact CG1-CD1 4.22Å; I211-I215 WeakPolarHBondContact O-CB 3.48Å; I215-T220 HydrophobicContact CD1-CG2 3.67Å; I215-L231 HydrophobicContact CD1-CD1 3.89Å; I215-L231 HydrophobicContact CD1-CD2 4.11Å; I215-L231 HydrophobicContact CD1-CG 4.41Å
216D91.8Very high94.4Very high146 Ų14643.8 Ų43.878%0.78123%0.228SC*.  trans-92.7-12.2179.358.2-14.5000113.2
217T92.5Very high94.4Very high65 Ų6544.9 Ų44.940%0.39924%0.235SC..SBendtrans-89.8152.6176.152.80000112.8T219T217-T219 WeakPolarHBondContact CB-O 3.06Å; T217-T219 PolarHBondContact O-N 2.79Å; T217-T219 PolarHBondContact OG1-O 2.82Å
218P94.1Very high94.5Very high108 Ų10844.6 Ų44.670%0.70123%0.234SC*.SBendtrans-63.6-27.8176.7-23.334000114.1K194K194-P218 PolarHBondContact N-O 2.88Å
219T94.4Very high94.5Very high43 Ų4343.5 Ų43.526%0.26423%0.227SC..EExtended strand (participates in β ladder)trans-126.5155.9178.655.50000110.4E191 M192 K193 T217E191-T219 HydrophobicContact CG-CG2 4.43Å; E191-T219 WeakPolarHBondContact OE1-CB 3.39Å; E191-T219 PolarHBondContact OE1-OG1 2.97Å; M192-T219 CarbonylContact O-C 3.59Å; M192-T219 WeakPolarHBondContact O-CA 3.37Å; M192-T219 WeakPolarHBondContact O-CB 3.36Å; K193-T219 HydrophobicContact CG-CG2 4.07Å; T217-T219 WeakPolarHBondContact CB-O 3.06Å; T217-T219 PolarHBondContact O-N 2.79Å; T217-T219 PolarHBondContact OG1-O 2.82Å
220T94.5Very high94.6Very high16 Ų1640.8 Ų40.810%0.09822%0.217CC..EExtended strand (participates in β ladder)trans-145.6173.9167.8-1600000109.2E191 M192 L197 I215 L231E191-T220 WeakPolarHBondContact CA-O 3.07Å; M192-T220 PolarHBondContact N-O 3.35Å; M192-T220 PolarHBondContact O-N 3.24Å; L197-T220 HydrophobicContact CD1-CG2 3.29Å; L197-T220 HydrophobicContact CD2-CG2 4.37Å; L197-T220 HydrophobicContact CG-CG2 4.45Å; I215-T220 HydrophobicContact CD1-CG2 3.67Å; T220-L231 HydrophobicContact CG2-CD1 3.44Å; T220-L231 VanDerWaalsContact CG2-CD1 3.44Å
221T95Very high94.6Very high14 Ų1441 Ų419%0.08622%0.218CC..EExtended strand (participates in β ladder)trans-91.1149.2178.852.20000112.7R189 L190 C232 R233R189-T221 VanDerWaalsContact CZ-CG2 3.49Å; L190-T221 CarbonylContact O-C 3.58Å; L190-T221 WeakPolarHBondContact O-CA 3.42Å; T221-C232 CarbonylContact C-O 3.58Å; T221-C232 VanDerWaalsContact C-O 3.23Å; T221-C232 WeakPolarHBondContact CB-O 3.25Å; T221-C232 PolarHBondContact O-N 3.41Å; T221-C232 PolarHBondContact OG1-O 3.34Å; T221-R233 WeakPolarHBondContact OG1-CA 3.43Å; T221-R233 PolarHBondContact OG1-O 3.47Å
222V96.5Very high94.6Very high0 Ų041.4 Ų41.40%022%0.221CC..EExtended strand (participates in β ladder)trans-131.4143.5173.5-175.40000107W32 L190 M192 L197 I229 D230W32-V222 HydrophobicContact CE3-CG1 4.46Å; W32-V222 HydrophobicContact CZ3-CB 4.23Å; W32-V222 HydrophobicContact CZ3-CG1 3.92Å; L190-V222 PolarHBondContact N-O 2.95Å; L190-V222 PolarHBondContact O-N 3.44Å; M192-V222 HydrophobicContact CB-CG2 4.14Å; M192-V222 HydrophobicContact CG-CG2 4.1Å; M192-V222 HydrophobicContact SD-CB 4.07Å; M192-V222 HydrophobicContact SD-CG1 4.39Å; M192-V222 HydrophobicContact SD-CG2 3.71Å; L197-V222 HydrophobicContact CD2-CG2 3.2Å; V222-I229 HydrophobicContact CG1-CG2 3.45Å; V222-I229 VanDerWaalsContact CG1-CG2 3.45Å; V222-D230 WeakPolarHBondContact CA-O 3.43Å; V222-D230 VanDerWaalsContact CG1-O 3.26Å; V222-D230 WeakPolarHBondContact CG1-O 3.41Å
223Y97.5Very high94.5Very high2 Ų244.6 Ų44.61%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-118.7144172.9-81.7-100.1000111.4D96 F187 E188 R189 I229 D230 C232 H236D96-Y223 VanDerWaalsContact OD1-CE1 3.32Å; D96-Y223 WeakPolarHBondContact OD1-CE1 3.43Å; D96-Y223 PolarHBondContact OD1-OH 3.29Å; D96-Y223 PolarHBondContact OD2-OH 3.41Å; F187-Y223 HydrophobicContact CB-CD1 4.44Å; E188-Y223 CarbonylContact O-C 3.59Å; E188-Y223 VanDerWaalsContact O-CA 3.28Å; E188-Y223 WeakPolarHBondContact O-CA 3.44Å; R189-Y223 HydrophobicContact CB-CD1 4.19Å; R189-Y223 HydrophobicContact CB-CE1 3.61Å; R189-Y223 HydrophobicContact CB-CE2 4.28Å; R189-Y223 WeakPolarHBondContact CD-OH 3.46Å; R189-Y223 HydrophobicContact CG-CE1 4.15Å; R189-Y223 HydrophobicContact CG-CE2 3.92Å; Y223-I229 WeakPolarHBondContact O-CA 3.24Å; Y223-D230 PolarHBondContact N-O 2.86Å; Y223-D230 PolarHBondContact O-N 2.88Å; Y223-C232 HydrophobicContact CD2-CB 4.25Å; Y223-H236 HydrophobicContact CD1-CB 4.46Å; Y223-H236 AromaticContact CD1-CD2 3.45Å; Y223-H236 VanDerWaalsContact CD1-CD2 3.45Å; Y223-H236 WeakPolarHBondContact CD1-CD2 2.97Å; Y223-H236 AromaticContact CD2-CD2 3.83Å; Y223-H236 HydrophobicContact CE1-CB 4.39Å; Y223-H236 AromaticContact CE1-CD2 3.78Å; Y223-H236 AromaticContact CG-CD2 3.45Å; Y223-H236 VanDerWaalsContact CG-CD2 3.45Å; Y223-H236 AromaticContact CG-NE2 4Å
224R97.5Very high94.4Very high50 Ų5040 Ų4019%0.18921%0.21CC..EExtended strand (participates in β ladder)trans-113.1134.7170.1-178.9177178.5-111.22110.4E29 W32 P186 F187 E188 G226 L228 I229E29-R224 IonicContact OE1-NH2 3.14Å; W32-R224 HydrophobicContact CD2-CB 4.03Å; W32-R224 HydrophobicContact CE3-CB 4.15Å; W32-R224 HydrophobicContact CH2-CB 3.58Å; W32-R224 HydrophobicContact CZ2-CB 3.44Å; W32-R224 VanDerWaalsContact CZ2-CB 3.44Å; W32-R224 HydrophobicContact CZ2-CG 4.42Å; W32-R224 HydrophobicContact CZ3-CB 3.93Å; W32-R224 VanDerWaalsContact NE1-CD 3.29Å; P186-R224 VanDerWaalsContact O-O 3.14Å; F187-R224 CarbonylContact C-O 3.58Å; F187-R224 WeakPolarHBondContact CA-O 3.03Å; E188-R224 HydrophobicContact CB-CB 4.44Å; E188-R224 PolarHBondContact N-O 2.84Å; E188-R224 PolarHBondContact O-N 3.14Å; E188-R224 IonicContact OE2-NH1 3.78Å; E188-R224 PolarHBondContact OE2-NH1 2.89Å; R224-G226 WeakPolarHBondContact CG-O 3.28Å; R224-G226 VanDerWaalsContact CZ-O 3.28Å; R224-G226 PolarHBondContact NE-O 2.89Å; R224-G226 PolarHBondContact NH2-O 3.13Å; R224-L228 CarbonylContact C-O 3.54Å; R224-L228 VanDerWaalsContact CA-O 3.25Å; R224-L228 WeakPolarHBondContact CA-O 2.97Å; R224-I229 HydrophobicContact CB-CG1 4.02Å; R224-I229 HydrophobicContact CG-CG1 3.79Å
225C96.6Very high94.8Very high0 Ų034.9 Ų34.90%019%0.189CC..EExtended strand (participates in β ladder)trans-135.9113.2161.358.70000108.3Q185 F187 L228 T240Q185-C225 VanDerWaalsContact OE1-C 3.22Å; Q185-C225 PolarHBondContact OE1-O 2.81Å; F187-C225 HydrophobicContact CD1-CB 3.8Å; F187-C225 HydrophobicContact CE1-CB 3.68Å; F187-C225 HydrophobicContact CE2-CB 4.48Å; F187-C225 HydrophobicContact CG-CB 4.26Å; F187-C225 HydrophobicContact CZ-CB 4.04Å; C225-L228 PolarHBondContact N-O 2.8Å; C225-L228 WeakPolarHBondContact O-CB 3.47Å; C225-L228 PolarHBondContact O-N 3.22Å; C225-T240 HydrophobicContact CB-CG2 4.37Å
226G95.7Very high95.1Very high15 Ų1534.5 Ų34.516%0.15519%0.187CC..THydrogen-bonded Turntrans57.9-129.8-173.200000112.1Q185 R224 L228Q185-G226 VanDerWaalsContact CD-CA 3.49Å; Q185-G226 VanDerWaalsContact OE1-CA 3.31Å; R224-G226 WeakPolarHBondContact CG-O 3.28Å; R224-G226 VanDerWaalsContact CZ-O 3.28Å; R224-G226 PolarHBondContact NE-O 2.89Å; R224-G226 PolarHBondContact NH2-O 3.13Å; G226-L228 VanDerWaalsContact C-N 3.32Å
227P95.1Very high95.4Very high22 Ų2227.7 Ų27.714%0.14315%0.15CC..THydrogen-bonded Turntrans-77.3-14.4176.832.9-34.9000113.6I25 E131 I229I25-P227 HydrophobicContact CG2-CB 3.85Å; E131-P227 HydrophobicContact CG-CG 4.02Å; E131-P227 WeakPolarHBondContact OE1-CD 3.24Å; E131-P227 VanDerWaalsContact OE1-CG 3.3Å; E131-P227 WeakPolarHBondContact OE1-CG 3.39Å; P227-I229 PolarHBondContact O-N 2.92Å
228L96.5Very high95.6Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-77.7126.2178.5178.168.3000109.7H127 E131 L141 R224 C225 G226 D230H127-L228 HydrophobicContact CB-CD2 3.94Å; H127-L228 WeakPolarHBondContact O-CD2 3.45Å; E131-L228 HydrophobicContact CB-CB 3.89Å; E131-L228 HydrophobicContact CB-CD2 4.18Å; E131-L228 HydrophobicContact CG-CB 4.16Å; L141-L228 HydrophobicContact CD1-CD1 3.54Å; R224-L228 CarbonylContact C-O 3.54Å; R224-L228 VanDerWaalsContact CA-O 3.25Å; R224-L228 WeakPolarHBondContact CA-O 2.97Å; C225-L228 PolarHBondContact N-O 2.8Å; C225-L228 WeakPolarHBondContact O-CB 3.47Å; C225-L228 PolarHBondContact O-N 3.22Å; G226-L228 VanDerWaalsContact C-N 3.32Å; L228-D230 HydrophobicContact CD1-CB 4.33Å; L228-D230 HydrophobicContact CD2-CB 4.47Å; L228-D230 HydrophobicContact CG-CB 4.26Å
229I96.9Very high95.7Very high0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-124.6119.6168.2-64.6160000106.9R28 E29 W32 M200 F201 V222 Y223 R224 P227R28-I229 VanDerWaalsContact C-CD1 3.5Å; R28-I229 HydrophobicContact CB-CB 4.34Å; R28-I229 HydrophobicContact CB-CD1 3.65Å; R28-I229 PolarHBondContact NH1-O 2.65Å; R28-I229 WeakPolarHBondContact O-CD1 3.45Å; E29-I229 HydrophobicContact CG-CD1 4.37Å; W32-I229 HydrophobicContact CB-CD1 3.6Å; W32-I229 HydrophobicContact CD2-CD1 4.35Å; W32-I229 HydrophobicContact CD2-CG1 4.44Å; W32-I229 HydrophobicContact CE3-CD1 4.41Å; W32-I229 HydrophobicContact CE3-CG1 4.24Å; W32-I229 HydrophobicContact CE3-CG2 3.87Å; W32-I229 HydrophobicContact CG-CD1 4.03Å; W32-I229 HydrophobicContact CZ3-CG2 4.28Å; M200-I229 HydrophobicContact CE-CG2 4.21Å; M200-I229 HydrophobicContact SD-CG2 3.51Å; M200-I229 VanDerWaalsContact SD-CG2 3.51Å; F201-I229 WeakPolarHBondContact CE1-O 3.29Å; V222-I229 HydrophobicContact CG1-CG2 3.45Å; V222-I229 VanDerWaalsContact CG1-CG2 3.45Å; Y223-I229 WeakPolarHBondContact O-CA 3.24Å; R224-I229 HydrophobicContact CB-CG1 4.02Å; R224-I229 HydrophobicContact CG-CG1 3.79Å; P227-I229 PolarHBondContact O-N 2.92Å
230D95.6Very high95.9Very high5 Ų522.7 Ų22.73%0.02711%0.108CC..EExtended strand (participates in β ladder)trans-134.1140.8-168.5-16623.3000113.2H127 Y153 K207 V222 Y223 L228 C232H127-D230 IonicContact CE1-OD2 3.09Å; H127-D230 IonicContact NE2-OD2 2.79Å; Y153-D230 VanDerWaalsContact OH-CG 3.25Å; Y153-D230 PolarHBondContact OH-OD1 2.79Å; Y153-D230 PolarHBondContact OH-OD2 2.89Å; K207-D230 WeakPolarHBondContact CE-OD1 3.47Å; K207-D230 IonicContact NZ-OD1 3.1Å; K207-D230 PolarHBondContact NZ-OD1 3.06Å; K207-D230 IonicContact NZ-OD2 3.55Å; V222-D230 WeakPolarHBondContact CA-O 3.43Å; V222-D230 VanDerWaalsContact CG1-O 3.26Å; V222-D230 WeakPolarHBondContact CG1-O 3.41Å; Y223-D230 PolarHBondContact N-O 2.86Å; Y223-D230 PolarHBondContact O-N 2.88Å; L228-D230 HydrophobicContact CD1-CB 4.33Å; L228-D230 HydrophobicContact CD2-CB 4.47Å; L228-D230 HydrophobicContact CG-CB 4.26Å; D230-C232 PolarHBondContact O-N 3.2Å; D230-C232 VanDerWaalsContact O-N 3.17Å
231L94.2Very high96.1Very high21 Ų2122.7 Ų22.711%0.1111%0.111CC..EExtended strand (participates in β ladder)trans-71.8104.6176.917971.9000108.9L197 F201 K207 I210 I211 I215 T220L197-L231 HydrophobicContact CD1-CD1 4.11Å; L197-L231 HydrophobicContact CD2-CD1 4.04Å; F201-L231 HydrophobicContact CE2-CB 4.04Å; F201-L231 HydrophobicContact CZ-CB 4.2Å; K207-L231 HydrophobicContact CD-CB 4.22Å; K207-L231 HydrophobicContact CD-CD2 4.47Å; I210-L231 HydrophobicContact CB-CD2 4.34Å; I210-L231 HydrophobicContact CG2-CD2 3.77Å; I211-L231 HydrophobicContact CD1-CD2 4.23Å; I211-L231 HydrophobicContact CG1-CD1 4.28Å; I211-L231 HydrophobicContact CG1-CD2 3.56Å; I215-L231 HydrophobicContact CD1-CD1 3.89Å; I215-L231 HydrophobicContact CD1-CD2 4.11Å; I215-L231 HydrophobicContact CD1-CG 4.41Å; T220-L231 HydrophobicContact CG2-CD1 3.44Å; T220-L231 VanDerWaalsContact CG2-CD1 3.44Å
232C94.4Very high96.1Very high9 Ų923.1 Ų23.16%0.06111%0.114CC..  trans-152.2132.6-166.3177.90000111.7H123 H127 T221 Y223 D230 G234 H236H123-C232 PolarHBondContact CE1-SG 3.21Å; H123-C232 PolarHBondContact NE2-SG 3.42Å; H127-C232 PolarHBondContact NE2-SG 3.19Å; H127-C232 VanDerWaalsContact NE2-SG 3.45Å; T221-C232 CarbonylContact C-O 3.58Å; T221-C232 VanDerWaalsContact C-O 3.23Å; T221-C232 WeakPolarHBondContact CB-O 3.25Å; T221-C232 PolarHBondContact O-N 3.41Å; T221-C232 PolarHBondContact OG1-O 3.34Å; Y223-C232 HydrophobicContact CD2-CB 4.25Å; D230-C232 PolarHBondContact O-N 3.2Å; D230-C232 VanDerWaalsContact O-N 3.17Å; C232-G234 PolarHBondContact O-N 3.36Å; C232-G234 PolarHBondContact SG-N 3.18Å; C232-H236 PolarHBondContact SG-NE2 3.39Å
233R92.5Very high96.2Very high182 Ų18223.3 Ų23.369%0.68712%0.115SC*.  trans-70-21.2175.8-70.6-170.4179.6-165.30.1113.5T221T221-R233 WeakPolarHBondContact OG1-CA 3.43Å; T221-R233 PolarHBondContact OG1-O 3.47Å
234G92.2Very high96.2Very high13 Ų1330.1 Ų30.113%0.13415%0.145CC..  trans61-159.4-173.500000112.4C232C232-G234 PolarHBondContact O-N 3.36Å; C232-G234 PolarHBondContact SG-N 3.18Å
235P96Very high96.2Very high10 Ų1028.1 Ų28.17%0.06514%0.139CC..  cis-76.3179.3-8.734.3-37.3000112.6I87 L94 D96 V120I87-P235 HydrophobicContact CD1-CB 3.54Å; I87-P235 HydrophobicContact CD1-CG 3.34Å; I87-P235 HydrophobicContact CG1-CB 4.47Å; I87-P235 HydrophobicContact CG1-CG 3.74Å; L94-P235 HydrophobicContact CB-CG 3.67Å; D96-P235 HydrophobicContact CB-CB 4.46Å; D96-P235 WeakPolarHBondContact OD1-CA 3.47Å; D96-P235 VanDerWaalsContact OD1-CB 3.24Å; D96-P235 WeakPolarHBondContact OD1-CB 2.91Å; V120-P235 HydrophobicContact CG2-CG 4.11Å
236H97.6Very high96.3Very high3 Ų328.3 Ų28.31%0.01414%0.14CC..  trans-130.6164.6178.5-73.1-68.5000113.2D96 H123 S124 H127 F187 Y223 C232D96-H236 PolarHBondContact OD1-N 3.47Å; D96-H236 VanDerWaalsContact OD1-N 3.09Å; H123-H236 AromaticContact CD2-CE1 3.91Å; H123-H236 AromaticContact CE1-CE1 3.58Å; H123-H236 AromaticContact CE1-NE2 3.85Å; H123-H236 AromaticContact CG-CE1 3.68Å; H123-H236 AromaticContact ND1-CE1 3.45Å; H123-H236 PolarHBondContact ND1-CE1 2.95Å; H123-H236 AromaticContact ND1-ND1 3.99Å; H123-H236 AromaticContact NE2-CE1 3.86Å; S124-H236 VanDerWaalsContact CA-ND1 3.35Å; S124-H236 WeakPolarHBondContact CA-ND1 3.29Å; S124-H236 PolarHBondContact N-ND1 3.39Å; S124-H236 VanDerWaalsContact OG-CA 3.3Å; S124-H236 WeakPolarHBondContact OG-CA 3.2Å; S124-H236 WeakPolarHBondContact OG-CB 3.29Å; S124-H236 PolarHBondContact OG-ND1 2.87Å; H127-H236 AromaticContact CD2-CE1 3.27Å; H127-H236 PolarHBondContact CD2-CE1 3.41Å; H127-H236 AromaticContact CD2-NE2 3.76Å; H127-H236 AromaticContact CE1-CE1 3.81Å; H127-H236 AromaticContact CE1-NE2 3.49Å; H127-H236 PolarHBondContact CE1-NE2 2.83Å; H127-H236 AromaticContact CG-CE1 3.89Å; H127-H236 AromaticContact NE2-CE1 3.21Å; H127-H236 PolarHBondContact NE2-CE1 2.98Å; H127-H236 AromaticContact NE2-NE2 3.25Å; H127-H236 PolarHBondContact NE2-NE2 3.48Å; F187-H236 HydrophobicContact CB-CB 3.86Å; F187-H236 HydrophobicContact CD1-CB 3.61Å; F187-H236 AromaticContact CD1-CG 3.66Å; F187-H236 HydrophobicContact CD2-CB 4.28Å; F187-H236 HydrophobicContact CE1-CB 4.2Å; F187-H236 AromaticContact CE1-CG 3.98Å; F187-H236 HydrophobicContact CG-CB 3.65Å; Y223-H236 HydrophobicContact CD1-CB 4.46Å; Y223-H236 AromaticContact CD1-CD2 3.45Å; Y223-H236 VanDerWaalsContact CD1-CD2 3.45Å; Y223-H236 WeakPolarHBondContact CD1-CD2 2.97Å; Y223-H236 AromaticContact CD2-CD2 3.83Å; Y223-H236 HydrophobicContact CE1-CB 4.39Å; Y223-H236 AromaticContact CE1-CD2 3.78Å; Y223-H236 AromaticContact CG-CD2 3.45Å; Y223-H236 VanDerWaalsContact CG-CD2 3.45Å; Y223-H236 AromaticContact CG-NE2 4Å; C232-H236 PolarHBondContact SG-NE2 3.39Å
237V97.3Very high96.3Very high3 Ų328.1 Ų28.12%0.01814%0.136CC..  trans-61.1161.1167.5-53.50000111V86 F121 S124 F187 H239 C242V86-V237 HydrophobicContact CG1-CG1 3.96Å; F121-V237 HydrophobicContact CD2-CG1 4.07Å; S124-V237 PolarHBondContact OG-N 3.05Å; F187-V237 WeakPolarHBondContact CB-O 3.24Å; F187-V237 HydrophobicContact CD2-CG2 4Å; F187-V237 WeakPolarHBondContact CD2-O 3.24Å; F187-V237 HydrophobicContact CE2-CG2 3.75Å; F187-V237 WeakPolarHBondContact CG-O 3.46Å; V237-H239 PolarHBondContact O-N 3.06Å; V237-C242 HydrophobicContact CB-CB 4.1Å; V237-C242 HydrophobicContact CG2-CB 3.95Å
238R96.8Very high96.4Very high61 Ų6127.6 Ų27.623%0.2313%0.133CC..SBendtrans-56.8-45.7-174.5-69.4176.9-86.4159.6-3.2114.6M71 A82 E83 L97 L98 F187M71-R238 HydrophobicContact CE-CG 4.33Å; A82-R238 PolarHBondContact O-NH2 2.72Å; E83-R238 PolarHBondContact O-NH2 3.3Å; L97-R238 HydrophobicContact CB-CG 4.31Å; L97-R238 HydrophobicContact CD1-CG 4.27Å; L98-R238 HydrophobicContact CD1-CG 4.41Å; L98-R238 HydrophobicContact CG-CG 4.32Å; F187-R238 PolarHBondContact N-O 2.73Å; F187-R238 VanDerWaalsContact N-O 3.1Å
239H97.6Very high96.2Very high51 Ų5130.4 Ų30.424%0.23615%0.149CC..BIsolated β-bridgetrans-158159.7-177.860.790.3000110.2N184 Q185 V237 G241 C242N184-H239 PolarHBondContact OD1-CE1 3.48Å; N184-H239 PolarHBondContact OD1-ND1 3.01Å; Q185-H239 CarbonylContact O-C 3.51Å; Q185-H239 WeakPolarHBondContact O-CA 3.32Å; Q185-H239 VanDerWaalsContact O-CB 3.26Å; Q185-H239 WeakPolarHBondContact O-CB 3.39Å; V237-H239 PolarHBondContact O-N 3.06Å; H239-G241 WeakPolarHBondContact ND1-CA 3.28Å; H239-G241 PolarHBondContact ND1-N 3.03Å; H239-G241 PolarHBondContact O-N 3.05Å; H239-G241 VanDerWaalsContact O-N 3.14Å; H239-C242 VanDerWaalsContact O-CB 3.29Å; H239-C242 WeakPolarHBondContact O-CB 3.46Å; H239-C242 PolarHBondContact O-N 3.13Å; H239-C242 PolarHBondContact O-SG 3.23Å; H239-C242 VanDerWaalsContact O-SG 3.37Å
240T98.2Very high95.9Very high0 Ų035.7 Ų35.70%017%0.173CC..G310 helixtrans-56.5-32.6-176.259.60000113.3V128 I180 Q185 F187 C225 C242 I243V128-T240 HydrophobicContact CG2-CG2 3.75Å; I180-T240 HydrophobicContact CG2-CG2 4.02Å; I180-T240 PolarHBondContact O-OG1 3.04Å; Q185-T240 HydrophobicContact CB-CG2 3.91Å; Q185-T240 PolarHBondContact N-OG1 3.34Å; Q185-T240 PolarHBondContact O-N 2.92Å; F187-T240 HydrophobicContact CE2-CG2 3.95Å; F187-T240 HydrophobicContact CZ-CG2 4.21Å; C225-T240 HydrophobicContact CB-CG2 4.37Å; T240-C242 PolarHBondContact O-N 2.91Å; T240-C242 VanDerWaalsContact O-N 3.13Å; T240-I243 VanDerWaalsContact O-CB 3.31Å; T240-I243 WeakPolarHBondContact O-CB 3.37Å; T240-I243 PolarHBondContact O-N 2.75Å
241G97.4Very high95.6Very high16 Ų1637 Ų3717%0.16518%0.181CC..G310 helixtrans-68.4-4.9175.800000116.3C181 N184 H239 I243C181-G241 WeakPolarHBondContact O-CA 3.49Å; C181-G241 PolarHBondContact O-N 3.28Å; N184-G241 WeakPolarHBondContact OD1-CA 3.24Å; H239-G241 WeakPolarHBondContact ND1-CA 3.28Å; H239-G241 PolarHBondContact ND1-N 3.03Å; H239-G241 PolarHBondContact O-N 3.05Å; H239-G241 VanDerWaalsContact O-N 3.14Å; G241-I243 PolarHBondContact O-N 3.48Å
242C96.8Very high95.2Very high22 Ų2237.9 Ų37.915%0.14919%0.189CC..G310 helixtrans-64.2-24.4163.4-65.80000111.4V237 H239 T240 K244V237-C242 HydrophobicContact CB-CB 4.1Å; V237-C242 HydrophobicContact CG2-CB 3.95Å; H239-C242 VanDerWaalsContact O-CB 3.29Å; H239-C242 WeakPolarHBondContact O-CB 3.46Å; H239-C242 PolarHBondContact O-N 3.13Å; H239-C242 PolarHBondContact O-SG 3.23Å; H239-C242 VanDerWaalsContact O-SG 3.37Å; T240-C242 PolarHBondContact O-N 2.91Å; T240-C242 VanDerWaalsContact O-N 3.13Å; C242-K244 PolarHBondContact O-N 3.19Å
243I97.8Very high94.8Very high4 Ų440.8 Ų40.82%0.02121%0.21CC..  trans-88.488.1177.9-54.9159.2000108.6F121 S125 V128 T240 G241 L246F121-I243 HydrophobicContact CE1-CG1 4.22Å; F121-I243 HydrophobicContact CE1-CG2 4.3Å; F121-I243 HydrophobicContact CE2-CG1 4.41Å; F121-I243 HydrophobicContact CZ-CB 4.24Å; F121-I243 HydrophobicContact CZ-CG1 3.98Å; F121-I243 HydrophobicContact CZ-CG2 4.3Å; S125-I243 WeakPolarHBondContact OG-CD1 3.43Å; V128-I243 HydrophobicContact CG2-CD1 3.73Å; T240-I243 VanDerWaalsContact O-CB 3.31Å; T240-I243 WeakPolarHBondContact O-CB 3.37Å; T240-I243 PolarHBondContact O-N 2.75Å; G241-I243 PolarHBondContact O-N 3.48Å; I243-L246 HydrophobicContact CG2-CB 4.19Å; I243-L246 HydrophobicContact CG2-CD1 4.24Å
244K97.3Very high94.4Very high146 Ų14632.9 Ų32.964%0.63518%0.182SC*.  trans-83.4-20.1-173.5-58.1-166.9-166.5162.80114C242 F273 P274C242-K244 PolarHBondContact O-N 3.19Å; K244-F273 PolarHBondContact N-O 3.32Å; K244-P274 WeakPolarHBondContact CB-O 3.32Å; K244-P274 WeakPolarHBondContact CD-O 3.35Å; K244-P274 VanDerWaalsContact CG-O 3.3Å; K244-P274 WeakPolarHBondContact CG-O 3.32Å
245A97.6Very high94.1Very high8 Ų836.8 Ų36.87%0.06619%0.194CC..EExtended strand (participates in β ladder)trans-141.8126.6179.400000109.3S272 F273 L279A245-S272 CarbonylContact O-C 3.5Å; A245-S272 WeakPolarHBondContact O-CA 3.22Å; A245-S272 WeakPolarHBondContact O-CB 3.43Å; A245-F273 HydrophobicContact CB-CB 4.49Å; A245-F273 PolarHBondContact N-O 2.9Å; A245-F273 VanDerWaalsContact N-O 3.14Å; A245-F273 PolarHBondContact O-N 3.22Å; A245-L279 HydrophobicContact CB-CB 3.75Å; A245-L279 HydrophobicContact CB-CD2 3.79Å; A245-L279 HydrophobicContact CB-CG 4.4Å
246L97.7Very high93.8Very high3 Ų336.4 Ų36.42%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-141.4140.9-178.7179.6150.4000108.7V128 F151 E174 C177 H178 I243 V248 V271V128-L246 HydrophobicContact CG1-CD1 4.42Å; F151-L246 HydrophobicContact CZ-CD1 3.99Å; F151-L246 HydrophobicContact CZ-CG 4.37Å; E174-L246 HydrophobicContact CG-CD2 4.35Å; C177-L246 HydrophobicContact CB-CD1 4.24Å; C177-L246 HydrophobicContact CB-CD2 3.74Å; H178-L246 PolarHBondContact NE2-O 2.74Å; I243-L246 HydrophobicContact CG2-CB 4.19Å; I243-L246 HydrophobicContact CG2-CD1 4.24Å; L246-V248 HydrophobicContact CD2-CG2 4.05Å; L246-V271 CarbonylContact C-O 3.5Å; L246-V271 WeakPolarHBondContact CA-O 3.15Å
247S97.4Very high93.2Very high12 Ų1240 Ų408%0.08421%0.208CC..EExtended strand (participates in β ladder)trans-133.5133.4169.8-158.60000110.7E174 G270 V271E174-S247 WeakPolarHBondContact OE2-CA 3.27Å; E174-S247 PolarHBondContact OE2-OG 2.92Å; S247-G270 CarbonylContact O-C 3.45Å; S247-G270 WeakPolarHBondContact O-CA 3.41Å; S247-V271 PolarHBondContact N-O 3.47Å; S247-V271 PolarHBondContact O-N 3.48Å
248V96.6Very high92.2Very high11 Ų1142.7 Ų42.77%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-87.6119.2171.4-179.50000107.2L129 L170 V173 E174 L246 V268 Y269L129-V248 HydrophobicContact CD1-CG2 4.37Å; L170-V248 HydrophobicContact CB-CG1 4.26Å; L170-V248 HydrophobicContact CD2-CG1 3.71Å; V173-V248 HydrophobicContact CG1-CG2 4.38Å; E174-V248 HydrophobicContact CB-CB 4.09Å; E174-V248 HydrophobicContact CB-CG2 3.76Å; E174-V248 HydrophobicContact CG-CG2 4.26Å; E174-V248 PolarHBondContact OE2-N 3.36Å; L246-V248 HydrophobicContact CD2-CG2 4.05Å; V248-V268 HydrophobicContact CG1-CG1 3.57Å; V248-Y269 CarbonylContact C-O 3.54Å; V248-Y269 WeakPolarHBondContact CA-O 3.29Å
249T92.1Very high91.3Very high58 Ų5845.6 Ų45.636%0.35625%0.248SC..EExtended strand (participates in β ladder)trans-100.1-40.6-160.856.40000113.7Y269 V271 W282T249-Y269 PolarHBondContact N-O 2.88Å; T249-Y269 WeakPolarHBondContact OG1-CB 3.16Å; T249-Y269 PolarHBondContact OG1-O 2.86Å; T249-V271 HydrophobicContact CG2-CG1 4.06Å; T249-W282 HydrophobicContact CG2-CH2 3.63Å; T249-W282 HydrophobicContact CG2-CZ2 4.36Å; T249-W282 HydrophobicContact CG2-CZ3 4.41Å
250K90.3Very high90.2Very high112 Ų11247.8 Ų47.849%0.48727%0.265SS..EExtended strand (participates in β ladder)trans-161.8164.6179.263.9-177.3-178.3-176.80111.2Y269K250-Y269 HydrophobicContact CD-CD2 4.12Å; K250-Y269 HydrophobicContact CD-CE2 4.41Å; K250-Y269 HydrophobicContact CD-CG 4.4Å; K250-Y269 HydrophobicContact CG-CD2 3.48Å; K250-Y269 VanDerWaalsContact CG-CD2 3.48Å; K250-Y269 HydrophobicContact CG-CE2 4.16Å; K250-Y269 HydrophobicContact CG-CG 3.81Å; K250-Y269 PolarHBondContact O-N 2.75Å
251C89.1Confident89.5Confident31 Ų3154.3 Ų54.321%0.20930%0.3CS..EExtended strand (participates in β ladder)trans-120.6153164.255.40000110.6L165 L170 R267L165-C251 HydrophobicContact CB-CB 4.41Å; L165-C251 HydrophobicContact CD2-CB 3.78Å; L165-C251 PolarHBondContact O-SG 3.45Å; L170-C251 HydrophobicContact CD2-CB 4Å; C251-R267 CarbonylContact C-O 3.38Å; C251-R267 VanDerWaalsContact CA-O 3.23Å; C251-R267 WeakPolarHBondContact CA-O 3.09Å
252S87.3Confident89Confident40 Ų4054.6 Ų54.628%0.2830%0.3SS..EExtended strand (participates in β ladder)trans-147.4156.2171.867.10000111.1R267 Y269S252-R267 PolarHBondContact N-O 2.95Å; S252-R267 PolarHBondContact O-N 2.64Å; S252-Y269 WeakPolarHBondContact OG-CE2 3.14Å
253S85.1Confident88.7Confident70 Ų7056 Ų5649%0.4931%0.305SS..EExtended strand (participates in β ladder)trans-73141164-166.80000110T264S253-T264 WeakPolarHBondContact OG-CG2 3.12Å
254S84.9Confident88.2Confident16 Ų1659.1 Ų59.111%0.11232%0.324CS..EExtended strand (participates in β ladder)trans-137.9175.5168.971.40000110.1D154 T264 L265D154-S254 PolarHBondContact OD1-OG 3.04Å; S254-T264 CarbonylContact O-C 3.58Å; S254-T264 WeakPolarHBondContact O-CA 3.22Å; S254-L265 PolarHBondContact N-O 2.84Å; S254-L265 PolarHBondContact O-N 2.75Å
255Y86Confident87.9Confident95 Ų9552.2 Ų52.237%0.37329%0.294SS..EExtended strand (participates in β ladder)trans-121.5148.1178.4-58.7-82000110.5E257 G258 R259 T260Y255-E257 PolarHBondContact O-N 3.1Å; Y255-G258 PolarHBondContact O-N 2.84Å; Y255-R259 WeakPolarHBondContact CB-O 3.5Å; Y255-T260 HydrophobicContact CD2-CG2 4.21Å; Y255-T260 HydrophobicContact CE2-CG2 4.06Å
256W89.4Confident87.6Confident2 Ų253.6 Ų53.61%0.00830%0.299CS..G310 helixtrans-54.7121.8174.2-177.2-105.9000110.8C142 Y143 F206 R209 I210 G258 R259 A262 E263 L265C142-W256 HydrophobicContact CB-CZ3 3.88Å; Y143-W256 HydrophobicContact CD2-CZ3 4.14Å; Y143-W256 HydrophobicContact CE2-CE3 4.32Å; Y143-W256 AromaticContact CE2-CH2 3.84Å; Y143-W256 HydrophobicContact CE2-CH2 3.84Å; Y143-W256 HydrophobicContact CE2-CZ2 4.42Å; Y143-W256 AromaticContact CE2-CZ3 3.76Å; Y143-W256 HydrophobicContact CE2-CZ3 3.76Å; F206-W256 HydrophobicContact CB-CE3 4.35Å; F206-W256 HydrophobicContact CB-CH2 3.68Å; F206-W256 HydrophobicContact CB-CZ2 4.49Å; F206-W256 HydrophobicContact CB-CZ3 3.61Å; F206-W256 AromaticContact CD1-CD2 3.6Å; F206-W256 HydrophobicContact CD1-CD2 3.6Å; F206-W256 AromaticContact CD1-CE3 3.24Å; F206-W256 HydrophobicContact CD1-CE3 3.24Å; F206-W256 HydrophobicContact CD1-CG 4.31Å; F206-W256 AromaticContact CD1-CH2 3.91Å; F206-W256 HydrophobicContact CD1-CH2 3.91Å; F206-W256 HydrophobicContact CD1-CZ2 4.23Å; F206-W256 AromaticContact CD1-CZ3 3.42Å; F206-W256 HydrophobicContact CD1-CZ3 3.42Å; F206-W256 VanDerWaalsContact CD1-CZ3 3.42Å; F206-W256 HydrophobicContact CE1-CB 4.44Å; F206-W256 HydrophobicContact CE1-CD2 4.02Å; F206-W256 AromaticContact CE1-CE3 3.86Å; F206-W256 HydrophobicContact CE1-CE3 3.86Å; F206-W256 HydrophobicContact CE1-CG 4.28Å; F206-W256 HydrophobicContact CE1-CZ3 4.44Å; F206-W256 HydrophobicContact CG-CE3 4.14Å; F206-W256 HydrophobicContact CG-CH2 4.29Å; F206-W256 AromaticContact CG-CZ3 3.89Å; F206-W256 HydrophobicContact CG-CZ3 3.89Å; R209-W256 HydrophobicContact CB-CZ2 4.18Å; I210-W256 HydrophobicContact CD1-CH2 3.82Å; I210-W256 HydrophobicContact CG1-CH2 3.8Å; I210-W256 HydrophobicContact CG1-CZ2 4.28Å; W256-G258 PolarHBondContact O-N 3.03Å; W256-R259 PolarHBondContact O-N 2.73Å; W256-R259 VanDerWaalsContact O-N 3.08Å; W256-A262 HydrophobicContact CB-CB 3.97Å; W256-E263 PolarHBondContact N-O 2.8Å; W256-L265 HydrophobicContact CB-CD1 4.45Å; W256-L265 HydrophobicContact CE3-CD1 4Å
257E84Confident87.3Confident78 Ų7855.9 Ų55.936%0.36431%0.307SS..G310 helixtrans54.121.3-174.8-58.7-176.7129.100115Y255 R259Y255-E257 PolarHBondContact O-N 3.1Å; E257-R259 PolarHBondContact O-N 3.23Å; E257-R259 IonicContact OE2-CZ 3.8Å; E257-R259 IonicContact OE2-NE 2.81Å; E257-R259 IonicContact OE2-NH2 3.4Å; E257-R259 PolarHBondContact OE2-NH2 2.9Å
258G77Confident87.2Confident61 Ų6155.3 Ų55.363%0.62930%0.304SS*.G310 helixtrans74.48.8-177.600000114.9Y255 W256Y255-G258 PolarHBondContact O-N 2.84Å; W256-G258 PolarHBondContact O-N 3.03Å
259R76.7Confident87.1Confident121 Ų12156.5 Ų56.546%0.45731%0.307SS..  trans-87.4115.5-178.9-73.9-169.3-73.2174.5-8.8111.8Y255 W256 E257 D261 A262Y255-R259 WeakPolarHBondContact CB-O 3.5Å; W256-R259 PolarHBondContact O-N 2.73Å; W256-R259 VanDerWaalsContact O-N 3.08Å; E257-R259 PolarHBondContact O-N 3.23Å; E257-R259 IonicContact OE2-CZ 3.8Å; E257-R259 IonicContact OE2-NE 2.81Å; E257-R259 IonicContact OE2-NH2 3.4Å; E257-R259 PolarHBondContact OE2-NH2 2.9Å; R259-D261 WeakPolarHBondContact CB-OD1 3.19Å; R259-D261 PolarHBondContact O-N 2.95Å; R259-D261 VanDerWaalsContact O-N 3.15Å; R259-A262 HydrophobicContact CB-CB 3.83Å; R259-A262 WeakPolarHBondContact O-CB 3.46Å; R259-A262 PolarHBondContact O-N 3.17Å
260T76.2Confident87.3Confident98 Ų9853.9 Ų53.960%0.60129%0.292SS*.THydrogen-bonded Turntrans-64.8-19.3-17552.20000114.8Y255Y255-T260 HydrophobicContact CD2-CG2 4.21Å; Y255-T260 HydrophobicContact CE2-CG2 4.06Å
261D82.2Confident87.6Confident137 Ų13748.6 Ų48.673%0.73327%0.269SS*.THydrogen-bonded Turntrans-88.7-7.2174.662.4-37.9000113.4R259R259-D261 WeakPolarHBondContact CB-OD1 3.19Å; R259-D261 PolarHBondContact O-N 2.95Å; R259-D261 VanDerWaalsContact O-N 3.15Å
262A87.9Confident88.1Confident21 Ų2147.1 Ų47.117%0.17426%0.259CS..SBendtrans-90.5-179.2177.400000112.5W256 R259 T264W256-A262 HydrophobicContact CB-CB 3.97Å; R259-A262 HydrophobicContact CB-CB 3.83Å; R259-A262 WeakPolarHBondContact O-CB 3.46Å; R259-A262 PolarHBondContact O-N 3.17Å; A262-T264 PolarHBondContact O-N 3.17Å
263E89.5Confident88.6Confident53 Ų5346.1 Ų46.125%0.24825%0.25CC..  trans-60.5135.5-177-58.886.316700111.9F206 R209 W256F206-E263 HydrophobicContact CE1-CB 4.01Å; F206-E263 HydrophobicContact CE1-CG 4.2Å; F206-E263 HydrophobicContact CZ-CB 3.94Å; F206-E263 HydrophobicContact CZ-CG 4.06Å; R209-E263 IonicContact CZ-OE1 3.93Å; R209-E263 VanDerWaalsContact CZ-OE1 3.22Å; R209-E263 VanDerWaalsContact NH1-CD 3.3Å; R209-E263 IonicContact NH1-OE1 3.53Å; R209-E263 PolarHBondContact NH1-OE1 3.23Å; R209-E263 IonicContact NH1-OE2 2.63Å; R209-E263 PolarHBondContact NH1-OE2 3.22Å; R209-E263 VanDerWaalsContact NH1-OE2 3.15Å; R209-E263 IonicContact NH2-OE1 3.44Å; R209-E263 PolarHBondContact NH2-OE1 3.35Å; W256-E263 PolarHBondContact N-O 2.8Å
264T88.7Confident89.1Confident68 Ų6844.2 Ų44.242%0.41724%0.236SC..EExtended strand (participates in β ladder)trans-78.7128174.4-56.60000110.3S253 S254 A262S253-T264 WeakPolarHBondContact OG-CG2 3.12Å; S254-T264 CarbonylContact O-C 3.58Å; S254-T264 WeakPolarHBondContact O-CA 3.22Å; A262-T264 PolarHBondContact O-N 3.17Å
265L90.8Very high89.6Confident2 Ų245.6 Ų45.61%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-111.1155.9-179.9-48176.7000110.7C142 D154 W156 F206 S254 W256C142-L265 HydrophobicContact CB-CD1 4.47Å; D154-L265 HydrophobicContact CB-CD1 4.13Å; W156-L265 HydrophobicContact CB-CD2 3.83Å; W156-L265 HydrophobicContact CG-CD2 4.42Å; F206-L265 HydrophobicContact CE1-CD2 3.98Å; F206-L265 HydrophobicContact CZ-CD2 4.04Å; S254-L265 PolarHBondContact N-O 2.84Å; S254-L265 PolarHBondContact O-N 2.75Å; W256-L265 HydrophobicContact CB-CD1 4.45Å; W256-L265 HydrophobicContact CE3-CD1 4Å
266Q90.2Very high90.1Very high36 Ų3645.2 Ų45.217%0.16825%0.251CS..EExtended strand (participates in β ladder)trans-98.2118.2167.8-65.9-62.3-44.800109.1D154 M155D154-Q266 CarbonylContact C-O 3.5Å; D154-Q266 WeakPolarHBondContact CA-O 3.42Å; M155-Q266 HydrophobicContact CE-CB 4.04Å; M155-Q266 HydrophobicContact CG-CB 4.07Å; M155-Q266 PolarHBondContact N-O 2.89Å; M155-Q266 PolarHBondContact O-N 3.32Å
267R92.3Very high90.5Very high51 Ų5152 Ų5219%0.19228%0.28CS..EExtended strand (participates in β ladder)trans-99.5124.1174.9-173.9167-73.3-173.6-2.7110Y152 D154 C251 S252 Y269Y152-R267 HydrophobicContact CD2-CG 3.66Å; Y152-R267 HydrophobicContact CE2-CG 4.45Å; Y152-R267 VanDerWaalsContact CE2-NE 3.31Å; Y152-R267 HydrophobicContact CG-CG 3.88Å; Y152-R267 PolarHBondContact OH-NH2 2.84Å; D154-R267 WeakPolarHBondContact OD1-CA 3.29Å; D154-R267 WeakPolarHBondContact OD1-CB 3.48Å; D154-R267 WeakPolarHBondContact OD1-CG 3.43Å; D154-R267 IonicContact OD1-CZ 3.19Å; D154-R267 IonicContact OD1-NE 3.07Å; D154-R267 PolarHBondContact OD1-NE 3.33Å; D154-R267 IonicContact OD1-NH2 3.31Å; D154-R267 IonicContact OD2-CZ 3.56Å; D154-R267 IonicContact OD2-NE 3.78Å; D154-R267 PolarHBondContact OD2-NE 2.88Å; D154-R267 IonicContact OD2-NH2 3.33Å; D154-R267 PolarHBondContact OD2-NH2 3.01Å; C251-R267 CarbonylContact C-O 3.38Å; C251-R267 VanDerWaalsContact CA-O 3.23Å; C251-R267 WeakPolarHBondContact CA-O 3.09Å; S252-R267 PolarHBondContact N-O 2.95Å; S252-R267 PolarHBondContact O-N 2.64Å; R267-Y269 HydrophobicContact CB-CE2 4.17Å; R267-Y269 WeakPolarHBondContact CD-OH 3.15Å; R267-Y269 HydrophobicContact CG-CD2 4.12Å; R267-Y269 HydrophobicContact CG-CE1 4.4Å; R267-Y269 HydrophobicContact CG-CE2 3.55Å
268V94.2Very high91Very high0 Ų051.6 Ų51.60%028%0.275CS..EExtended strand (participates in β ladder)trans-113.8131175.2-173.90000109.3L129 L133 Y152 Y153 L165 L170 V248L129-V268 HydrophobicContact CD1-CG1 3.99Å; L129-V268 HydrophobicContact CD2-CB 4.14Å; L129-V268 HydrophobicContact CD2-CG1 4.08Å; L129-V268 WeakPolarHBondContact CD2-O 3.17Å; L133-V268 HydrophobicContact CD1-CB 4.33Å; L133-V268 HydrophobicContact CD1-CG2 4.15Å; L133-V268 HydrophobicContact CD2-CG2 3.96Å; Y152-V268 CarbonylContact C-O 3.58Å; Y152-V268 WeakPolarHBondContact CA-O 3.35Å; Y152-V268 WeakPolarHBondContact CB-O 3.33Å; Y153-V268 PolarHBondContact N-O 3.25Å; Y153-V268 PolarHBondContact O-N 3.2Å; L165-V268 HydrophobicContact CD1-CG2 3.7Å; L165-V268 HydrophobicContact CD2-CG2 4.42Å; L170-V268 HydrophobicContact CD2-CG1 4.33Å; V248-V268 HydrophobicContact CG1-CG1 3.57Å
269Y95.4Very high91.9Very high37 Ų3749.6 Ų49.615%0.14525%0.25CS..EExtended strand (participates in β ladder)trans-105.7147.3-177.2-62.4-103000110.6I147 F151 Y152 V248 T249 K250 S252 R267I147-Y269 HydrophobicContact CD1-CD1 4.17Å; I147-Y269 HydrophobicContact CD1-CE1 4.42Å; F151-Y269 WeakPolarHBondContact O-CA 3.35Å; Y152-Y269 HydrophobicContact CD1-CE1 4.35Å; Y152-Y269 HydrophobicContact CG-CE1 4.45Å; V248-Y269 CarbonylContact C-O 3.54Å; V248-Y269 WeakPolarHBondContact CA-O 3.29Å; T249-Y269 PolarHBondContact N-O 2.88Å; T249-Y269 WeakPolarHBondContact OG1-CB 3.16Å; T249-Y269 PolarHBondContact OG1-O 2.86Å; K250-Y269 HydrophobicContact CD-CD2 4.12Å; K250-Y269 HydrophobicContact CD-CE2 4.41Å; K250-Y269 HydrophobicContact CD-CG 4.4Å; K250-Y269 HydrophobicContact CG-CD2 3.48Å; K250-Y269 VanDerWaalsContact CG-CD2 3.48Å; K250-Y269 HydrophobicContact CG-CE2 4.16Å; K250-Y269 HydrophobicContact CG-CG 3.81Å; K250-Y269 PolarHBondContact O-N 2.75Å; S252-Y269 WeakPolarHBondContact OG-CE2 3.14Å; R267-Y269 HydrophobicContact CB-CE2 4.17Å; R267-Y269 WeakPolarHBondContact CD-OH 3.15Å; R267-Y269 HydrophobicContact CG-CD2 4.12Å; R267-Y269 HydrophobicContact CG-CE1 4.4Å; R267-Y269 HydrophobicContact CG-CE2 3.55Å
270G96.7Very high92.9Very high3 Ų351.6 Ų51.63%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-146.2162174.700000112.3F151 S247F151-G270 WeakPolarHBondContact CD1-O 3.46Å; F151-G270 VanDerWaalsContact CE1-C 3.5Å; F151-G270 PolarHBondContact N-O 3.38Å; F151-G270 PolarHBondContact O-N 3.24Å; S247-G270 CarbonylContact O-C 3.45Å; S247-G270 WeakPolarHBondContact O-CA 3.41Å
271V97.2Very high93.7Very high1 Ų151.6 Ų51.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-133147.5168.971.70000108.5L246 S247 T249 F273 L279 W282L246-V271 CarbonylContact C-O 3.5Å; L246-V271 WeakPolarHBondContact CA-O 3.15Å; S247-V271 PolarHBondContact N-O 3.47Å; S247-V271 PolarHBondContact O-N 3.48Å; T249-V271 HydrophobicContact CG2-CG1 4.06Å; V271-F273 HydrophobicContact CG1-CE2 4.19Å; V271-F273 HydrophobicContact CG2-CE2 3.67Å; V271-F273 HydrophobicContact CG2-CZ 3.69Å; V271-L279 HydrophobicContact CG1-CD1 4.21Å; V271-W282 HydrophobicContact CB-CZ2 4.23Å; V271-W282 HydrophobicContact CG1-CD2 3.98Å; V271-W282 HydrophobicContact CG1-CE3 3.85Å; V271-W282 HydrophobicContact CG1-CH2 3.59Å; V271-W282 HydrophobicContact CG1-CZ2 3.69Å; V271-W282 HydrophobicContact CG1-CZ3 3.65Å
272S98.1Very high94.1Very high0 Ų047.8 Ų47.80%023%0.231CC..EExtended strand (participates in β ladder)trans-148.9158.2-178.564.10000112.1F121 W122 S125 A245F121-S272 VanDerWaalsContact CE1-OG 3.31Å; F121-S272 WeakPolarHBondContact CE1-OG 3.27Å; W122-S272 PolarHBondContact NE1-O 3.21Å; S125-S272 WeakPolarHBondContact CB-OG 3.48Å; S125-S272 PolarHBondContact OG-OG 3.38Å; A245-S272 CarbonylContact O-C 3.5Å; A245-S272 WeakPolarHBondContact O-CA 3.22Å; A245-S272 WeakPolarHBondContact O-CB 3.43Å
273F97.6Very high94.4Very high19 Ų1950.6 Ų50.68%0.08324%0.239CC..EExtended strand (participates in β ladder)trans-144.4153.7-174.8-61.3-79.6000111.9F112 K244 A245 V271 D275 R278 L279 W282F112-F273 AromaticContact CE1-CD1 3.91Å; F112-F273 HydrophobicContact CE1-CD1 3.91Å; F112-F273 HydrophobicContact CE1-CE1 4.3Å; F112-F273 AromaticContact CZ-CD1 3.67Å; F112-F273 HydrophobicContact CZ-CD1 3.67Å; F112-F273 HydrophobicContact CZ-CE1 4.08Å; K244-F273 PolarHBondContact N-O 3.32Å; A245-F273 HydrophobicContact CB-CB 4.49Å; A245-F273 PolarHBondContact N-O 2.9Å; A245-F273 VanDerWaalsContact N-O 3.14Å; A245-F273 PolarHBondContact O-N 3.22Å; V271-F273 HydrophobicContact CG1-CE2 4.19Å; V271-F273 HydrophobicContact CG2-CE2 3.67Å; V271-F273 HydrophobicContact CG2-CZ 3.69Å; F273-D275 PolarHBondContact O-N 2.93Å; F273-R278 HydrophobicContact CB-CB 3.86Å; F273-R278 HydrophobicContact CD1-CB 3.73Å; F273-R278 HydrophobicContact CE1-CB 4.43Å; F273-R278 HydrophobicContact CG-CB 3.76Å; F273-L279 HydrophobicContact CD2-CB 3.8Å; F273-L279 HydrophobicContact CD2-CD1 3.89Å; F273-L279 HydrophobicContact CD2-CG 4.45Å; F273-L279 HydrophobicContact CE2-CB 4.41Å; F273-L279 HydrophobicContact CE2-CD1 3.88Å; F273-W282 HydrophobicContact CE2-CB 3.81Å; F273-W282 HydrophobicContact CE2-CD2 4.31Å; F273-W282 AromaticContact CE2-CG 3.87Å; F273-W282 HydrophobicContact CE2-CG 3.87Å; F273-W282 HydrophobicContact CZ-CB 3.77Å; F273-W282 AromaticContact CZ-CD1 3.79Å; F273-W282 HydrophobicContact CZ-CD2 4.5Å; F273-W282 AromaticContact CZ-CG 3.73Å; F273-W282 HydrophobicContact CZ-CG 3.73Å
274P96.8Very high94.5Very high30 Ų3053.1 Ų53.120%0.19525%0.25CS..SBendtrans-71.3-8177.530.2-37.6000113.4F112 F121 K244F112-P274 HydrophobicContact CB-CG 3.87Å; F112-P274 HydrophobicContact CD1-CG 4.29Å; F112-P274 HydrophobicContact CD2-CG 4.19Å; F112-P274 HydrophobicContact CG-CG 3.85Å; F121-P274 HydrophobicContact CE2-CB 4.03Å; F121-P274 HydrophobicContact CZ-CB 4.25Å; K244-P274 WeakPolarHBondContact CB-O 3.32Å; K244-P274 WeakPolarHBondContact CD-O 3.35Å; K244-P274 VanDerWaalsContact CG-O 3.3Å; K244-P274 WeakPolarHBondContact CG-O 3.32Å
275D95.3Very high94.5Very high45 Ų4553.9 Ų53.924%0.24125%0.251CS..SBendtrans-149.7153.5177.769.280.5000112.8F273 K277 R278F273-D275 PolarHBondContact O-N 2.93Å; D275-K277 VanDerWaalsContact C-N 3.31Å; D275-K277 PolarHBondContact O-N 3.48Å; D275-K277 WeakPolarHBondContact OD1-CA 3.18Å; D275-K277 VanDerWaalsContact OD1-CB 3.3Å; D275-K277 WeakPolarHBondContact OD1-CB 3.34Å; D275-K277 PolarHBondContact OD1-N 3.02Å; D275-R278 PolarHBondContact OD1-N 3.23Å; D275-R278 WeakPolarHBondContact OD2-CD 3.35Å; D275-R278 WeakPolarHBondContact OD2-CG 3.35Å; D275-R278 IonicContact OD2-NE 3.63Å; D275-R278 PolarHBondContact OD2-NE 2.97Å
276P96.5Very high94.3Very high87 Ų8757.3 Ų57.357%0.56527%0.267SS*.Hα-helixtrans-68.5-22.2179.3-22.534.6000115.3L279 K280P276-L279 PolarHBondContact O-N 3.26Å; P276-K280 PolarHBondContact O-N 3.16Å
277K97.4Very high94.3Very high143 Ų14361 Ų6162%0.62228%0.284SS*.Hα-helixtrans-67.9-45.3-177.9177.4-176.7168.3-175.30109.8D275 L279 K280 E281D275-K277 VanDerWaalsContact C-N 3.31Å; D275-K277 PolarHBondContact O-N 3.48Å; D275-K277 WeakPolarHBondContact OD1-CA 3.18Å; D275-K277 VanDerWaalsContact OD1-CB 3.3Å; D275-K277 WeakPolarHBondContact OD1-CB 3.34Å; D275-K277 PolarHBondContact OD1-N 3.02Å; K277-L279 VanDerWaalsContact C-N 3.34Å; K277-L279 PolarHBondContact O-N 2.74Å; K277-K280 WeakPolarHBondContact O-CB 3.31Å; K277-K280 PolarHBondContact O-N 3.34Å; K277-K280 VanDerWaalsContact O-N 3.14Å; K277-E281 WeakPolarHBondContact CE-OE1 3.41Å; K277-E281 IonicContact NZ-OE1 2.6Å; K277-E281 WeakPolarHBondContact O-CG 3.23Å; K277-E281 PolarHBondContact O-N 3.39Å
278R95.1Very high94.1Very high70 Ų7060.9 Ų60.926%0.26429%0.286SS..Hα-helixtrans-59.7-41.3174.6-70.1178.1-171.1-130.4-2112.5D113 F273 D275 K280 E281 W282D113-R278 IonicContact OD1-CZ 3.15Å; D113-R278 VanDerWaalsContact OD1-CZ 3.23Å; D113-R278 IonicContact OD1-NH1 3.78Å; D113-R278 PolarHBondContact OD1-NH1 2.94Å; D113-R278 IonicContact OD1-NH2 2.79Å; D113-R278 PolarHBondContact OD1-NH2 3.31Å; D113-R278 IonicContact OD2-NH2 2.73Å; D113-R278 PolarHBondContact OD2-NH2 2.99Å; F273-R278 HydrophobicContact CB-CB 3.86Å; F273-R278 HydrophobicContact CD1-CB 3.73Å; F273-R278 HydrophobicContact CE1-CB 4.43Å; F273-R278 HydrophobicContact CG-CB 3.76Å; D275-R278 PolarHBondContact OD1-N 3.23Å; D275-R278 WeakPolarHBondContact OD2-CD 3.35Å; D275-R278 WeakPolarHBondContact OD2-CG 3.35Å; D275-R278 IonicContact OD2-NE 3.63Å; D275-R278 PolarHBondContact OD2-NE 2.97Å; R278-K280 VanDerWaalsContact C-N 3.33Å; R278-K280 PolarHBondContact O-N 3.44Å; R278-E281 PolarHBondContact O-N 2.93Å; R278-W282 VanDerWaalsContact O-CB 3.28Å; R278-W282 WeakPolarHBondContact O-CB 3.49Å; R278-W282 PolarHBondContact O-N 2.97Å
279L95.9Very high93.7Very high19 Ų1961.4 Ų61.410%0.09929%0.29CS..Hα-helixtrans-63.9-40175.6-177.761.2000111.6A245 V271 F273 P276 K277 W282 K283A245-L279 HydrophobicContact CB-CB 3.75Å; A245-L279 HydrophobicContact CB-CD2 3.79Å; A245-L279 HydrophobicContact CB-CG 4.4Å; V271-L279 HydrophobicContact CG1-CD1 4.21Å; F273-L279 HydrophobicContact CD2-CB 3.8Å; F273-L279 HydrophobicContact CD2-CD1 3.89Å; F273-L279 HydrophobicContact CD2-CG 4.45Å; F273-L279 HydrophobicContact CE2-CB 4.41Å; F273-L279 HydrophobicContact CE2-CD1 3.88Å; P276-L279 PolarHBondContact O-N 3.26Å; K277-L279 VanDerWaalsContact C-N 3.34Å; K277-L279 PolarHBondContact O-N 2.74Å; L279-W282 HydrophobicContact CD1-CE3 3.94Å; L279-W282 HydrophobicContact CD1-CZ3 4.48Å; L279-W282 PolarHBondContact O-N 3.04Å; L279-K283 HydrophobicContact CD1-CG 4.39Å; L279-K283 HydrophobicContact CG-CD 4.46Å; L279-K283 WeakPolarHBondContact O-CB 3.23Å; L279-K283 WeakPolarHBondContact O-CG 3.48Å; L279-K283 PolarHBondContact O-N 3.32Å
280K96.3Very high93.4Very high164 Ų16462.2 Ų62.271%0.71331%0.305SS*.Hα-helixtrans-64.6-43.7176.5-173.6180179.4-179.10111.8P276 K277 R278 K283 H284P276-K280 PolarHBondContact O-N 3.16Å; K277-K280 WeakPolarHBondContact O-CB 3.31Å; K277-K280 PolarHBondContact O-N 3.34Å; K277-K280 VanDerWaalsContact O-N 3.14Å; R278-K280 VanDerWaalsContact C-N 3.33Å; R278-K280 PolarHBondContact O-N 3.44Å; K280-K283 PolarHBondContact O-N 3.17Å; K280-H284 WeakPolarHBondContact O-CB 2.96Å; K280-H284 PolarHBondContact O-N 3.16Å
281E93.7Very high93.1Very high98 Ų9867.1 Ų67.146%0.45833%0.326SS..Hα-helixtrans-62.9-45.4175-72.6172.4-176.500111.2K277 R278 K283 H284 I285K277-E281 WeakPolarHBondContact CE-OE1 3.41Å; K277-E281 IonicContact NZ-OE1 2.6Å; K277-E281 WeakPolarHBondContact O-CG 3.23Å; K277-E281 PolarHBondContact O-N 3.39Å; R278-E281 PolarHBondContact O-N 2.93Å; E281-K283 PolarHBondContact O-N 3.07Å; E281-H284 WeakPolarHBondContact O-CB 3.18Å; E281-H284 PolarHBondContact O-N 2.92Å; E281-I285 WeakPolarHBondContact O-CG1 3.35Å; E281-I285 PolarHBondContact O-N 3.1Å
282W91.6Very high92.9Very high57 Ų5770.8 Ų70.822%0.21634%0.339CS..Hα-helixtrans-58.7-48.1174.6179.188.3000111.4T249 V271 F273 R278 L279 H284 I285 Q286T249-W282 HydrophobicContact CG2-CH2 3.63Å; T249-W282 HydrophobicContact CG2-CZ2 4.36Å; T249-W282 HydrophobicContact CG2-CZ3 4.41Å; V271-W282 HydrophobicContact CB-CZ2 4.23Å; V271-W282 HydrophobicContact CG1-CD2 3.98Å; V271-W282 HydrophobicContact CG1-CE3 3.85Å; V271-W282 HydrophobicContact CG1-CH2 3.59Å; V271-W282 HydrophobicContact CG1-CZ2 3.69Å; V271-W282 HydrophobicContact CG1-CZ3 3.65Å; F273-W282 HydrophobicContact CE2-CB 3.81Å; F273-W282 HydrophobicContact CE2-CD2 4.31Å; F273-W282 AromaticContact CE2-CG 3.87Å; F273-W282 HydrophobicContact CE2-CG 3.87Å; F273-W282 HydrophobicContact CZ-CB 3.77Å; F273-W282 AromaticContact CZ-CD1 3.79Å; F273-W282 HydrophobicContact CZ-CD2 4.5Å; F273-W282 AromaticContact CZ-CG 3.73Å; F273-W282 HydrophobicContact CZ-CG 3.73Å; R278-W282 VanDerWaalsContact O-CB 3.28Å; R278-W282 WeakPolarHBondContact O-CB 3.49Å; R278-W282 PolarHBondContact O-N 2.97Å; L279-W282 HydrophobicContact CD1-CE3 3.94Å; L279-W282 HydrophobicContact CD1-CZ3 4.48Å; L279-W282 PolarHBondContact O-N 3.04Å; W282-H284 VanDerWaalsContact C-N 3.32Å; W282-H284 PolarHBondContact O-N 3.41Å; W282-I285 PolarHBondContact O-N 3.49Å; W282-I285 VanDerWaalsContact O-N 3.15Å; W282-Q286 HydrophobicContact CD2-CG 3.87Å; W282-Q286 HydrophobicContact CE3-CG 4.03Å; W282-Q286 HydrophobicContact CH2-CG 3.73Å; W282-Q286 HydrophobicContact CZ2-CG 3.57Å; W282-Q286 HydrophobicContact CZ3-CG 3.96Å; W282-Q286 WeakPolarHBondContact O-CG 3.49Å; W282-Q286 PolarHBondContact O-N 2.81Å
283K93.1Very high92.6Very high80 Ų8072 Ų7235%0.34835%0.346SS..Hα-helixtrans-58.8-42.5176.2-76.8-174.3177.3-172.70111.8L279 K280 E281 I285 Q286 E287L279-K283 HydrophobicContact CD1-CG 4.39Å; L279-K283 HydrophobicContact CG-CD 4.46Å; L279-K283 WeakPolarHBondContact O-CB 3.23Å; L279-K283 WeakPolarHBondContact O-CG 3.48Å; L279-K283 PolarHBondContact O-N 3.32Å; K280-K283 PolarHBondContact O-N 3.17Å; E281-K283 PolarHBondContact O-N 3.07Å; K283-I285 PolarHBondContact O-N 3Å; K283-Q286 PolarHBondContact O-N 2.92Å; K283-E287 WeakPolarHBondContact O-CG 3.3Å; K283-E287 PolarHBondContact O-N 3.35Å
284H91.9Very high92.5Very high105 Ų10571.2 Ų71.249%0.48634%0.342SS..Hα-helixtrans-62.2-42.2176.1-176.955.3000112.3K280 E281 W282 E287 E288K280-H284 WeakPolarHBondContact O-CB 2.96Å; K280-H284 PolarHBondContact O-N 3.16Å; E281-H284 WeakPolarHBondContact O-CB 3.18Å; E281-H284 PolarHBondContact O-N 2.92Å; W282-H284 VanDerWaalsContact C-N 3.32Å; W282-H284 PolarHBondContact O-N 3.41Å; H284-E287 PolarHBondContact O-N 2.79Å; H284-E288 WeakPolarHBondContact O-CG 3.42Å; H284-E288 PolarHBondContact O-N 2.83Å
285I87.9Confident92.4Very high85 Ų8575.7 Ų75.744%0.43636%0.355SS..Hα-helixtrans-63-41.8174.8-67.3165.5000110.8E281 W282 K283 E288 A289E281-I285 WeakPolarHBondContact O-CG1 3.35Å; E281-I285 PolarHBondContact O-N 3.1Å; W282-I285 PolarHBondContact O-N 3.49Å; W282-I285 VanDerWaalsContact O-N 3.15Å; K283-I285 PolarHBondContact O-N 3Å; I285-E288 PolarHBondContact O-N 3.19Å; I285-A289 VanDerWaalsContact O-CB 3.3Å; I285-A289 WeakPolarHBondContact O-CB 3.29Å; I285-A289 PolarHBondContact O-N 2.9Å
286Q87.3Confident92.4Very high73 Ų7377.9 Ų77.934%0.34136%0.363SS..Hα-helixtrans-63.7-40175.9-65.3-54.7-43.500112.3W282 K283 A289 A290W282-Q286 HydrophobicContact CD2-CG 3.87Å; W282-Q286 HydrophobicContact CE3-CG 4.03Å; W282-Q286 HydrophobicContact CH2-CG 3.73Å; W282-Q286 HydrophobicContact CZ2-CG 3.57Å; W282-Q286 HydrophobicContact CZ3-CG 3.96Å; W282-Q286 WeakPolarHBondContact O-CG 3.49Å; W282-Q286 PolarHBondContact O-N 2.81Å; K283-Q286 PolarHBondContact O-N 2.92Å; Q286-A289 PolarHBondContact O-N 2.87Å; Q286-A290 WeakPolarHBondContact O-CB 3.33Å; Q286-A290 PolarHBondContact O-N 2.96Å
287E89.9Confident92.3Very high113 Ų11374.4 Ų74.453%0.52834%0.339SS..Hα-helixtrans-63.4-43.7174.3-73.9172.3-172.100111.8K283 H284 A289 A290 K291K283-E287 WeakPolarHBondContact O-CG 3.3Å; K283-E287 PolarHBondContact O-N 3.35Å; H284-E287 PolarHBondContact O-N 2.79Å; E287-A289 VanDerWaalsContact C-N 3.33Å; E287-A290 PolarHBondContact O-N 3.09Å; E287-K291 WeakPolarHBondContact O-CG 3.38Å; E287-K291 PolarHBondContact O-N 3.05Å; E287-K291 VanDerWaalsContact O-N 3.07Å
288E88.7Confident92.3Very high49 Ų4967.6 Ų67.623%0.22931%0.309CS..Hα-helixtrans-65.9-35.7175-74.3-59.1117.700112.2H284 I285 K291 R292H284-E288 WeakPolarHBondContact O-CG 3.42Å; H284-E288 PolarHBondContact O-N 2.83Å; I285-E288 PolarHBondContact O-N 3.19Å; E288-K291 PolarHBondContact O-N 3.4Å; E288-K291 IonicContact OE1-NZ 2.72Å; E288-K291 PolarHBondContact OE1-NZ 3.14Å; E288-R292 WeakPolarHBondContact O-CG 3.49Å; E288-R292 PolarHBondContact O-N 3.26Å; E288-R292 IonicContact OE2-CZ 3.3Å; E288-R292 IonicContact OE2-NH1 3.08Å; E288-R292 PolarHBondContact OE2-NH1 3.1Å
289A85.7Confident92.3Very high11 Ų1168.7 Ų68.79%0.09132%0.324CS..Hα-helixtrans-65.6-44.7173.800000111.8I285 Q286 E287 K291 R292 D293 L523I285-A289 VanDerWaalsContact O-CB 3.3Å; I285-A289 WeakPolarHBondContact O-CB 3.29Å; I285-A289 PolarHBondContact O-N 2.9Å; Q286-A289 PolarHBondContact O-N 2.87Å; E287-A289 VanDerWaalsContact C-N 3.33Å; A289-K291 VanDerWaalsContact C-N 3.27Å; A289-K291 PolarHBondContact O-N 3.11Å; A289-R292 CarbonylContact O-C 3.59Å; A289-R292 PolarHBondContact O-N 2.96Å; A289-D293 PolarHBondContact O-N 3.4Å; A289-L523 VanDerWaalsContact CA-CD1 3.49Å; A289-L523 HydrophobicContact CB-CD1 3.62Å; A289-L523 HydrophobicContact CB-CD2 4Å; A289-L523 HydrophobicContact CB-CG 4.3Å
290A88.1Confident92.3Very high55 Ų5573.4 Ų73.446%0.45535%0.345SS..Hα-helixtrans-64.1-30.7177.200000112.8Q286 E287 R292Q286-A290 WeakPolarHBondContact O-CB 3.33Å; Q286-A290 PolarHBondContact O-N 2.96Å; E287-A290 PolarHBondContact O-N 3.09Å; A290-R292 VanDerWaalsContact C-N 3.31Å
291K90.9Very high92.3Very high106 Ų10666.4 Ų66.446%0.46132%0.315SS..Hα-helixtrans-69.5-29.9171.8-71.2171.9-165.8167.80112.7E287 E288 A289E287-K291 WeakPolarHBondContact O-CG 3.38Å; E287-K291 PolarHBondContact O-N 3.05Å; E287-K291 VanDerWaalsContact O-N 3.07Å; E288-K291 PolarHBondContact O-N 3.4Å; E288-K291 IonicContact OE1-NZ 2.72Å; E288-K291 PolarHBondContact OE1-NZ 3.14Å; A289-K291 VanDerWaalsContact C-N 3.27Å; A289-K291 PolarHBondContact O-N 3.11Å
292R92.5Very high92.5Very high78 Ų7868.7 Ų68.729%0.29432%0.324SS..Hα-helixtrans-91.7-13.3-177.7-73-179.6166.281.4-1113.8E288 A289 A290 H294 L297 L523 E608E288-R292 WeakPolarHBondContact O-CG 3.49Å; E288-R292 PolarHBondContact O-N 3.26Å; E288-R292 IonicContact OE2-CZ 3.3Å; E288-R292 IonicContact OE2-NH1 3.08Å; E288-R292 PolarHBondContact OE2-NH1 3.1Å; A289-R292 CarbonylContact O-C 3.59Å; A289-R292 PolarHBondContact O-N 2.96Å; A290-R292 VanDerWaalsContact C-N 3.31Å; R292-H294 PolarHBondContact O-N 2.9Å; R292-L297 VanDerWaalsContact O-CD1 3.31Å; R292-L297 WeakPolarHBondContact O-CD1 3.4Å; R292-L523 HydrophobicContact CB-CD1 4.17Å; R292-E608 WeakPolarHBondContact CD-O 3.39Å; R292-E608 WeakPolarHBondContact O-CA 3.42Å; R292-E608 WeakPolarHBondContact O-CG 3.32Å
293D92.2Very high92.8Very high25 Ų2566 Ų6613%0.13431%0.313CS..  trans-45.4120.9-179.3-171.2-33.4000112.2A289 R295 K296 L297A289-D293 PolarHBondContact O-N 3.4Å; D293-R295 PolarHBondContact O-N 3.46Å; D293-R295 VanDerWaalsContact O-N 3.14Å; D293-R295 VanDerWaalsContact OD1-CB 3.22Å; D293-R295 WeakPolarHBondContact OD1-CB 3.43Å; D293-R295 WeakPolarHBondContact OD1-CG 3.38Å; D293-R295 IonicContact OD1-CZ 3.55Å; D293-R295 PolarHBondContact OD1-N 3.43Å; D293-R295 IonicContact OD1-NE 2.65Å; D293-R295 PolarHBondContact OD1-NE 2.86Å; D293-R295 IonicContact OD1-NH2 3.01Å; D293-R295 IonicContact OD2-CZ 3.55Å; D293-R295 VanDerWaalsContact OD2-CZ 3.25Å; D293-R295 IonicContact OD2-NE 3.14Å; D293-R295 PolarHBondContact OD2-NE 2.9Å; D293-R295 VanDerWaalsContact OD2-NE 3.07Å; D293-R295 IonicContact OD2-NH2 3.3Å; D293-R295 PolarHBondContact OD2-NH2 3.12Å; D293-K296 HydrophobicContact CB-CB 4.37Å; D293-K296 WeakPolarHBondContact O-CB 2.98Å; D293-K296 PolarHBondContact O-N 3.5Å; D293-L297 PolarHBondContact O-N 3.2Å
294H94.9Very high93Very high3 Ų362.4 Ų62.41%0.01430%0.298CS..Hα-helixtrans-60.4-26.7-177.368.6-78.3000112.6R292 K296 G298 F304 G422 L423 A604 T607 E608R292-H294 PolarHBondContact O-N 2.9Å; H294-K296 VanDerWaalsContact C-N 3.31Å; H294-G298 VanDerWaalsContact O-CA 3.25Å; H294-G298 WeakPolarHBondContact O-CA 3.47Å; H294-G298 PolarHBondContact O-N 3.1Å; H294-F304 AromaticContact CD2-CZ 3.86Å; H294-F304 VanDerWaalsContact O-CZ 3.25Å; H294-F304 WeakPolarHBondContact O-CZ 3.15Å; H294-G422 WeakPolarHBondContact NE2-CA 3.45Å; H294-L423 PolarHBondContact NE2-N 3.33Å; H294-A604 HydrophobicContact CB-CB 4.14Å; H294-T607 HydrophobicContact CB-CG2 3.98Å; H294-E608 HydrophobicContact CB-CG 4.05Å; H294-E608 IonicContact CE1-OE1 2.79Å; H294-E608 IonicContact CG-OE1 3.45Å; H294-E608 PolarHBondContact N-OE1 3.08Å; H294-E608 VanDerWaalsContact N-OE1 3.08Å; H294-E608 IonicContact ND1-OE1 3.46Å; H294-E608 PolarHBondContact ND1-OE1 2.87Å
295R94.7Very high93.3Very high124 Ų12461.2 Ų61.247%0.46829%0.291SS..Hα-helixtrans-67.9-35.5177.5-58.8171.1-69.7-174.30.8111D293 V299D293-R295 PolarHBondContact O-N 3.46Å; D293-R295 VanDerWaalsContact O-N 3.14Å; D293-R295 VanDerWaalsContact OD1-CB 3.22Å; D293-R295 WeakPolarHBondContact OD1-CB 3.43Å; D293-R295 WeakPolarHBondContact OD1-CG 3.38Å; D293-R295 IonicContact OD1-CZ 3.55Å; D293-R295 PolarHBondContact OD1-N 3.43Å; D293-R295 IonicContact OD1-NE 2.65Å; D293-R295 PolarHBondContact OD1-NE 2.86Å; D293-R295 IonicContact OD1-NH2 3.01Å; D293-R295 IonicContact OD2-CZ 3.55Å; D293-R295 VanDerWaalsContact OD2-CZ 3.25Å; D293-R295 IonicContact OD2-NE 3.14Å; D293-R295 PolarHBondContact OD2-NE 2.9Å; D293-R295 VanDerWaalsContact OD2-NE 3.07Å; D293-R295 IonicContact OD2-NH2 3.3Å; D293-R295 PolarHBondContact OD2-NH2 3.12Å; R295-V299 WeakPolarHBondContact O-CG2 3.37Å
296K95.2Very high93.7Very high90 Ų9060.8 Ų60.839%0.39129%0.286SS..Hα-helixtrans-76.7-56.8175.1178.8-176.3173-177.10110.5D293 H294 G298 V299 E300D293-K296 HydrophobicContact CB-CB 4.37Å; D293-K296 WeakPolarHBondContact O-CB 2.98Å; D293-K296 PolarHBondContact O-N 3.5Å; H294-K296 VanDerWaalsContact C-N 3.31Å; K296-G298 VanDerWaalsContact C-N 3.28Å; K296-G298 PolarHBondContact O-N 3.17Å; K296-V299 PolarHBondContact O-N 3.03Å; K296-V299 VanDerWaalsContact O-N 3.14Å; K296-E300 WeakPolarHBondContact CE-OE1 3.28Å; K296-E300 HydrophobicContact CG-CG 4.44Å; K296-E300 IonicContact NZ-OE1 2.65Å; K296-E300 WeakPolarHBondContact O-CG 3.32Å; K296-E300 PolarHBondContact O-N 2.9Å
297L95.5Very high94.1Very high14 Ų1461 Ų617%0.07329%0.287CS..Hα-helixtrans-62.2-36.7-177.6-70.5-176000112.1R292 D293 V299 E300 Q301 T607 G611R292-L297 VanDerWaalsContact O-CD1 3.31Å; R292-L297 WeakPolarHBondContact O-CD1 3.4Å; D293-L297 PolarHBondContact O-N 3.2Å; L297-V299 VanDerWaalsContact C-N 3.3Å; L297-V299 PolarHBondContact O-N 2.9Å; L297-E300 PolarHBondContact O-N 2.93Å; L297-Q301 WeakPolarHBondContact O-CB 3.09Å; L297-Q301 WeakPolarHBondContact O-CG 3.29Å; L297-Q301 PolarHBondContact O-N 3.05Å; L297-T607 HydrophobicContact CB-CG2 3.71Å; L297-T607 HydrophobicContact CD1-CG2 4Å; L297-G611 VanDerWaalsContact CD1-C 3.45Å
298G97Very high94.2Very high0 Ų063.5 Ų63.50%030%0.299CS..Hα-helixtrans-59.5-38.8176.400000112.7H294 K296 K302 L303H294-G298 VanDerWaalsContact O-CA 3.25Å; H294-G298 WeakPolarHBondContact O-CA 3.47Å; H294-G298 PolarHBondContact O-N 3.1Å; K296-G298 VanDerWaalsContact C-N 3.28Å; K296-G298 PolarHBondContact O-N 3.17Å; G298-K302 CarbonylContact O-C 3.58Å; G298-K302 PolarHBondContact O-N 2.93Å; G298-L303 PolarHBondContact O-N 2.94Å
299V95.7Very high94.5Very high94 Ų9468.2 Ų68.257%0.5733%0.325SS*.Hα-helixtrans-74.8-49.1174.7174.80000111R295 K296 L297 Q301 K302R295-V299 WeakPolarHBondContact O-CG2 3.37Å; K296-V299 PolarHBondContact O-N 3.03Å; K296-V299 VanDerWaalsContact O-N 3.14Å; L297-V299 VanDerWaalsContact C-N 3.3Å; L297-V299 PolarHBondContact O-N 2.9Å; V299-Q301 VanDerWaalsContact C-N 3.26Å; V299-Q301 PolarHBondContact O-N 3.11Å; V299-K302 PolarHBondContact O-N 2.81Å
300E95.3Very high95Very high117 Ų11769.8 Ų69.855%0.54734%0.336SS..Hα-helixtrans-58-39.6-179.4-72.3179170.100112.1K296 L297 K302K296-E300 WeakPolarHBondContact CE-OE1 3.28Å; K296-E300 HydrophobicContact CG-CG 4.44Å; K296-E300 IonicContact NZ-OE1 2.65Å; K296-E300 WeakPolarHBondContact O-CG 3.32Å; K296-E300 PolarHBondContact O-N 2.9Å; L297-E300 PolarHBondContact O-N 2.93Å; E300-K302 VanDerWaalsContact C-N 3.35Å
301Q96.5Very high95.1Very high18 Ų1870.3 Ų70.38%0.08433%0.334CS..THydrogen-bonded Turntrans-89.22.4177.9-64.1-167.61.200113.8L297 V299 L303 G612 R621L297-Q301 WeakPolarHBondContact O-CB 3.09Å; L297-Q301 WeakPolarHBondContact O-CG 3.29Å; L297-Q301 PolarHBondContact O-N 3.05Å; V299-Q301 VanDerWaalsContact C-N 3.26Å; V299-Q301 PolarHBondContact O-N 3.11Å; Q301-L303 VanDerWaalsContact C-N 3.27Å; Q301-L303 HydrophobicContact CB-CD1 4.27Å; Q301-L303 HydrophobicContact CB-CD2 3.92Å; Q301-L303 HydrophobicContact CB-CG 3.76Å; Q301-L303 PolarHBondContact O-N 2.83Å; Q301-G612 PolarHBondContact NE2-O 3.36Å; Q301-R621 PolarHBondContact O-NH1 2.83Å; Q301-R621 PolarHBondContact O-NH2 3.41Å
302K97.3Very high95.2Very high145 Ų14565.6 Ų65.663%0.6332%0.316SS*.THydrogen-bonded Turntrans52.544.3-178.4-53.4-179.2-178.8-1780112.3G298 V299 E300 L317G298-K302 CarbonylContact O-C 3.58Å; G298-K302 PolarHBondContact O-N 2.93Å; V299-K302 PolarHBondContact O-N 2.81Å; E300-K302 VanDerWaalsContact C-N 3.35Å; K302-L317 HydrophobicContact CB-CD1 4.08Å; K302-L317 VanDerWaalsContact O-CB 3.28Å; K302-L317 WeakPolarHBondContact O-CB 3.49Å
303L98.2Very high95.4Very high0 Ų063 Ų630%031%0.31CS..  trans-82.9-46177-53.6-175.4000110.6G298 Q301 L317 A319 G320 I323 W614 P620G298-L303 PolarHBondContact O-N 2.94Å; Q301-L303 VanDerWaalsContact C-N 3.27Å; Q301-L303 HydrophobicContact CB-CD1 4.27Å; Q301-L303 HydrophobicContact CB-CD2 3.92Å; Q301-L303 HydrophobicContact CB-CG 3.76Å; Q301-L303 PolarHBondContact O-N 2.83Å; L303-L317 PolarHBondContact O-N 3.03Å; L303-A319 HydrophobicContact CD2-CB 3.73Å; L303-G320 WeakPolarHBondContact O-CA 3.46Å; L303-G320 PolarHBondContact O-N 2.87Å; L303-I323 HydrophobicContact CD1-CD1 4.1Å; L303-I323 HydrophobicContact CD2-CD1 3.89Å; L303-W614 HydrophobicContact CD1-CZ2 3.77Å; L303-P620 HydrophobicContact CD2-CG 4.31Å
304F98.3Very high95.7Very high5 Ų562.6 Ų62.62%0.02231%0.309CS..EExtended strand (participates in β ladder)trans-159.5168.2-176.362.9-96.1000113H294 F306 C314 F315 F316 L423H294-F304 AromaticContact CD2-CZ 3.86Å; H294-F304 VanDerWaalsContact O-CZ 3.25Å; H294-F304 WeakPolarHBondContact O-CZ 3.15Å; F304-F306 HydrophobicContact CD2-CD2 4.44Å; F304-F306 HydrophobicContact CD2-CE2 4.08Å; F304-F306 HydrophobicContact CE2-CE2 4.05Å; F304-C314 WeakPolarHBondContact CB-SG 3.45Å; F304-F315 CarbonylContact C-O 3.55Å; F304-F315 WeakPolarHBondContact CA-O 3.29Å; F304-F315 VanDerWaalsContact CB-O 3.25Å; F304-F315 WeakPolarHBondContact CB-O 3.26Å; F304-F316 HydrophobicContact CB-CD1 4.08Å; F304-F316 HydrophobicContact CB-CE1 4.41Å; F304-L423 HydrophobicContact CD1-CD1 3.7Å; F304-L423 HydrophobicContact CD1-CG 4.37Å; F304-L423 HydrophobicContact CD2-CG 4.41Å; F304-L423 HydrophobicContact CE1-CD1 3.37Å; F304-L423 HydrophobicContact CE1-CG 4.02Å; F304-L423 HydrophobicContact CE2-CD1 4.32Å; F304-L423 HydrophobicContact CE2-CG 4.06Å; F304-L423 HydrophobicContact CG-CD1 4.32Å; F304-L423 HydrophobicContact CZ-CD1 3.73Å; F304-L423 HydrophobicContact CZ-CG 3.87Å
305F97.4Very high95.8Very high80 Ų8066.6 Ų66.635%0.35133%0.326SS..EExtended strand (participates in β ladder)trans-147.5168.3168.871.8-80.3000111.1H307 F315 L317F305-H307 HydrophobicContact CE2-CB 4.1Å; F305-F315 HydrophobicContact CD1-CB 3.62Å; F305-F315 HydrophobicContact CD1-CG 4.49Å; F305-F315 HydrophobicContact CD2-CB 4.32Å; F305-F315 HydrophobicContact CD2-CD2 4.41Å; F305-F315 HydrophobicContact CD2-CG 4.48Å; F305-F315 HydrophobicContact CE1-CB 3.27Å; F305-F315 HydrophobicContact CE1-CD1 4.29Å; F305-F315 AromaticContact CE1-CG 3.88Å; F305-F315 HydrophobicContact CE1-CG 3.88Å; F305-F315 HydrophobicContact CE2-CB 4.03Å; F305-F315 HydrophobicContact CE2-CD1 4.38Å; F305-F315 AromaticContact CE2-CD2 3.97Å; F305-F315 HydrophobicContact CE2-CD2 3.97Å; F305-F315 AromaticContact CE2-CG 3.87Å; F305-F315 HydrophobicContact CE2-CG 3.87Å; F305-F315 HydrophobicContact CG-CB 4.14Å; F305-F315 HydrophobicContact CZ-CB 3.5Å; F305-F315 VanDerWaalsContact CZ-CB 3.5Å; F305-F315 AromaticContact CZ-CD1 3.77Å; F305-F315 HydrophobicContact CZ-CD1 3.77Å; F305-F315 HydrophobicContact CZ-CD2 4.11Å; F305-F315 AromaticContact CZ-CG 3.53Å; F305-F315 HydrophobicContact CZ-CG 3.53Å; F305-F315 PolarHBondContact N-O 2.99Å; F305-F315 PolarHBondContact O-N 2.85Å; F305-L317 HydrophobicContact CD1-CD1 4.39Å; F305-L317 HydrophobicContact CD1-CD2 4.1Å; F305-L317 HydrophobicContact CD1-CG 4.15Å; F305-L317 HydrophobicContact CE1-CD2 3.94Å; F305-L317 HydrophobicContact CE1-CG 4.46Å
306F96Very high96Very high76 Ų7662.9 Ų62.933%0.33331%0.313SS..EExtended strand (participates in β ladder)trans-117146171.4-73.6-91.5000109.6F304 S313 C314 G422 L423 V426F304-F306 HydrophobicContact CD2-CD2 4.44Å; F304-F306 HydrophobicContact CD2-CE2 4.08Å; F304-F306 HydrophobicContact CE2-CE2 4.05Å; F306-S313 WeakPolarHBondContact CD1-O 3.37Å; F306-C314 HydrophobicContact CD1-CB 4.47Å; F306-C314 HydrophobicContact CE1-CB 3.75Å; F306-C314 HydrophobicContact CE2-CB 4.35Å; F306-C314 HydrophobicContact CZ-CB 3.68Å; F306-G422 WeakPolarHBondContact CZ-O 3.16Å; F306-L423 HydrophobicContact CE2-CD2 4.41Å; F306-L423 HydrophobicContact CZ-CD2 4.07Å; F306-V426 HydrophobicContact CE1-CG1 4.04Å; F306-V426 HydrophobicContact CZ-CG1 3.95Å
307H95.6Very high96.2Very high78 Ų7861.3 Ų61.336%0.36131%0.309SS..  trans-126.6141.5-179.7-161.8-87.4000110.8F305 L309 S310 F315F305-H307 HydrophobicContact CE2-CB 4.1Å; H307-L309 WeakPolarHBondContact ND1-CB 3.4Å; H307-L309 PolarHBondContact ND1-N 3.12Å; H307-L309 PolarHBondContact O-N 2.96Å; H307-S310 CarbonylContact O-C 3.6Å; H307-S310 VanDerWaalsContact O-C 3.22Å; H307-S310 PolarHBondContact O-N 3.34Å; H307-F315 HydrophobicContact CB-CD2 4.21Å; H307-F315 HydrophobicContact CB-CE2 3.61Å; H307-F315 HydrophobicContact CB-CZ 4.17Å
308E92.8Very high96.3Very high165 Ų16566 Ų6677%0.77134%0.341SS*.THydrogen-bonded Turntrans-62.1-26.1-177.163.9-177.5-179.800113.9S310 P311E308-S310 PolarHBondContact O-N 3Å; E308-P311 WeakPolarHBondContact O-CD 3.42Å
309L95.6Very high96.4Very high149 Ų14966.7 Ų66.778%0.7835%0.346SS*.THydrogen-bonded Turntrans-72.9-12.3175.2-61.2177.9000113.6H307H307-L309 WeakPolarHBondContact ND1-CB 3.4Å; H307-L309 PolarHBondContact ND1-N 3.12Å; H307-L309 PolarHBondContact O-N 2.96Å
310S95.1Very high96.5Very high44 Ų4462.3 Ų62.331%0.30832%0.32SS..SBendtrans-141.268.9171.3-156.50000109.8H307 E308 G312 S313H307-S310 CarbonylContact O-C 3.6Å; H307-S310 VanDerWaalsContact O-C 3.22Å; H307-S310 PolarHBondContact O-N 3.34Å; E308-S310 PolarHBondContact O-N 3Å; S310-G312 PolarHBondContact O-N 3.37Å; S310-S313 WeakPolarHBondContact O-CB 3.47Å; S310-S313 PolarHBondContact O-N 3.47Å; S310-S313 VanDerWaalsContact OG-CB 3.22Å; S310-S313 WeakPolarHBondContact OG-CB 3.48Å; S310-S313 PolarHBondContact OG-OG 3.46Å
311P90.9Very high96.6Very high65 Ų6558.1 Ų58.142%0.42231%0.305SS..THydrogen-bonded Turntrans-67.7128.1-169.726-29.9000110.9E308 S313 R427E308-P311 WeakPolarHBondContact O-CD 3.42Å; P311-S313 VanDerWaalsContact C-N 3.28Å; P311-R427 WeakPolarHBondContact O-CD 3.25Å; P311-R427 PolarHBondContact O-NH1 3.28Å
312G93Very high96.7Very high8 Ų859.2 Ų59.28%0.08231%0.31CS..THydrogen-bonded Turntrans80.14.6-174.400000114.4S310 V426 R427S310-G312 PolarHBondContact O-N 3.37Å; G312-V426 CarbonylContact O-C 3.23Å; G312-V426 WeakPolarHBondContact O-CA 3.48Å; G312-V426 VanDerWaalsContact O-CB 3.26Å; G312-V426 WeakPolarHBondContact O-CB 3.17Å; G312-R427 PolarHBondContact O-N 2.89Å
313S96.3Very high96.8Very high23 Ų2352.3 Ų52.316%0.16128%0.28CS..  trans-108.3122.2173-56.80000109.8F306 S310 P311F306-S313 WeakPolarHBondContact CD1-O 3.37Å; S310-S313 WeakPolarHBondContact O-CB 3.47Å; S310-S313 PolarHBondContact O-N 3.47Å; S310-S313 VanDerWaalsContact OG-CB 3.22Å; S310-S313 WeakPolarHBondContact OG-CB 3.48Å; S310-S313 PolarHBondContact OG-OG 3.46Å; P311-S313 VanDerWaalsContact C-N 3.28Å
314C97.9Very high96.8Very high17 Ų1753.1 Ų53.112%0.11528%0.283CS..EExtended strand (participates in β ladder)trans-81.9138.7-176-1740000112.2F304 F306 F316 L423F304-C314 WeakPolarHBondContact CB-SG 3.45Å; F306-C314 HydrophobicContact CD1-CB 4.47Å; F306-C314 HydrophobicContact CE1-CB 3.75Å; F306-C314 HydrophobicContact CE2-CB 4.35Å; F306-C314 HydrophobicContact CZ-CB 3.68Å; C314-F316 HydrophobicContact CB-CE2 4.09Å; C314-L423 HydrophobicContact CB-CD2 3.68Å; C314-L423 WeakPolarHBondContact SG-CD2 3.41Å
315F98.2Very high96.8Very high86 Ų8657.7 Ų57.738%0.37731%0.308SS..EExtended strand (participates in β ladder)trans-99.2108.8167.9-67.8-103.6000109.5F304 F305 H307F304-F315 CarbonylContact C-O 3.55Å; F304-F315 WeakPolarHBondContact CA-O 3.29Å; F304-F315 VanDerWaalsContact CB-O 3.25Å; F304-F315 WeakPolarHBondContact CB-O 3.26Å; F305-F315 HydrophobicContact CD1-CB 3.62Å; F305-F315 HydrophobicContact CD1-CG 4.49Å; F305-F315 HydrophobicContact CD2-CB 4.32Å; F305-F315 HydrophobicContact CD2-CD2 4.41Å; F305-F315 HydrophobicContact CD2-CG 4.48Å; F305-F315 HydrophobicContact CE1-CB 3.27Å; F305-F315 HydrophobicContact CE1-CD1 4.29Å; F305-F315 AromaticContact CE1-CG 3.88Å; F305-F315 HydrophobicContact CE1-CG 3.88Å; F305-F315 HydrophobicContact CE2-CB 4.03Å; F305-F315 HydrophobicContact CE2-CD1 4.38Å; F305-F315 AromaticContact CE2-CD2 3.97Å; F305-F315 HydrophobicContact CE2-CD2 3.97Å; F305-F315 AromaticContact CE2-CG 3.87Å; F305-F315 HydrophobicContact CE2-CG 3.87Å; F305-F315 HydrophobicContact CG-CB 4.14Å; F305-F315 HydrophobicContact CZ-CB 3.5Å; F305-F315 VanDerWaalsContact CZ-CB 3.5Å; F305-F315 AromaticContact CZ-CD1 3.77Å; F305-F315 HydrophobicContact CZ-CD1 3.77Å; F305-F315 HydrophobicContact CZ-CD2 4.11Å; F305-F315 AromaticContact CZ-CG 3.53Å; F305-F315 HydrophobicContact CZ-CG 3.53Å; F305-F315 PolarHBondContact N-O 2.99Å; F305-F315 PolarHBondContact O-N 2.85Å; H307-F315 HydrophobicContact CB-CD2 4.21Å; H307-F315 HydrophobicContact CB-CE2 3.61Å; H307-F315 HydrophobicContact CB-CZ 4.17Å
316F98.4Very high96.9Very high46 Ų4655.3 Ų55.320%0.20230%0.3CS..EExtended strand (participates in β ladder)trans-82.4120.8173.5-71.4-81.5000110.9F304 C314 Y324 L423 E600 I603F304-F316 HydrophobicContact CB-CD1 4.08Å; F304-F316 HydrophobicContact CB-CE1 4.41Å; C314-F316 HydrophobicContact CB-CE2 4.09Å; F316-Y324 HydrophobicContact CD2-CD2 4.06Å; F316-Y324 HydrophobicContact CD2-CE2 4.33Å; F316-Y324 HydrophobicContact CE1-CD2 4.27Å; F316-Y324 AromaticContact CE2-CD2 3.73Å; F316-Y324 HydrophobicContact CE2-CD2 3.73Å; F316-Y324 AromaticContact CE2-CE2 3.85Å; F316-Y324 HydrophobicContact CE2-CE2 3.85Å; F316-Y324 HydrophobicContact CG-CD2 4.46Å; F316-Y324 AromaticContact CZ-CD2 3.84Å; F316-Y324 HydrophobicContact CZ-CD2 3.84Å; F316-Y324 HydrophobicContact CZ-CE2 4.26Å; F316-L423 HydrophobicContact CE1-CD1 4.22Å; F316-L423 HydrophobicContact CE1-CD2 4.37Å; F316-L423 HydrophobicContact CZ-CD1 4.32Å; F316-L423 HydrophobicContact CZ-CD2 3.84Å; F316-E600 HydrophobicContact CE2-CG 4.07Å; F316-E600 HydrophobicContact CZ-CG 4Å; F316-I603 HydrophobicContact CE1-CD1 3.77Å; F316-I603 HydrophobicContact CZ-CD1 4.07Å
317L98.4Very high97Very high58 Ų5851.7 Ų51.730%0.30428%0.284SS..  trans-79.7169.5172.9-66.3175.3000110.1K302 L303 F305 A319 G320 A321K302-L317 HydrophobicContact CB-CD1 4.08Å; K302-L317 VanDerWaalsContact O-CB 3.28Å; K302-L317 WeakPolarHBondContact O-CB 3.49Å; L303-L317 PolarHBondContact O-N 3.03Å; F305-L317 HydrophobicContact CD1-CD1 4.39Å; F305-L317 HydrophobicContact CD1-CD2 4.1Å; F305-L317 HydrophobicContact CD1-CG 4.15Å; F305-L317 HydrophobicContact CE1-CD2 3.94Å; F305-L317 HydrophobicContact CE1-CG 4.46Å; L317-A319 VanDerWaalsContact C-N 3.27Å; L317-A319 PolarHBondContact O-N 3.24Å; L317-G320 CarbonylContact O-C 3.6Å; L317-G320 WeakPolarHBondContact O-CA 3.16Å; L317-G320 PolarHBondContact O-N 2.88Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.15Å
318P98.2Very high97.1Very high113 Ų11348.6 Ų48.673%0.73427%0.271SS*.Hα-helixtrans-50.1-40.6-173.3-31.836.8000115.4H322P318-H322 PolarHBondContact O-N 3.44Å
319A98.2Very high97.3Very high14 Ų1444.5 Ų44.512%0.11626%0.26CS..Hα-helixtrans-68.8-40.6177.200000112.7L303 L317 I323 P620L303-A319 HydrophobicContact CD2-CB 3.73Å; L317-A319 VanDerWaalsContact C-N 3.27Å; L317-A319 PolarHBondContact O-N 3.24Å; A319-I323 PolarHBondContact O-N 2.9Å; A319-P620 HydrophobicContact CB-CB 3.7Å; A319-P620 HydrophobicContact CB-CG 3.96Å; A319-P620 WeakPolarHBondContact O-CB 3.49Å
320G98.4Very high97.5Very high1 Ų137.8 Ų37.81%0.0123%0.225CC..Hα-helixtrans-70.4-36.8175.100000112.5L303 L317 H322 I323 Y324L303-G320 WeakPolarHBondContact O-CA 3.46Å; L303-G320 PolarHBondContact O-N 2.87Å; L317-G320 CarbonylContact O-C 3.6Å; L317-G320 WeakPolarHBondContact O-CA 3.16Å; L317-G320 PolarHBondContact O-N 2.88Å; G320-H322 VanDerWaalsContact C-N 3.32Å; G320-H322 PolarHBondContact O-N 2.57Å; G320-I323 PolarHBondContact O-N 2.86Å; G320-Y324 WeakPolarHBondContact O-CB 3.4Å; G320-Y324 PolarHBondContact O-N 2.8Å
321A98.5Very high97.6Very high30 Ų3035.8 Ų35.825%0.24821%0.211CC..Hα-helixtrans-64.1-36.8175.500000111.9L317 Y324 N325L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.15Å; A321-Y324 PolarHBondContact O-N 2.9Å; A321-N325 VanDerWaalsContact O-CB 3.31Å; A321-N325 WeakPolarHBondContact O-CB 3.13Å; A321-N325 VanDerWaalsContact O-CG 3.24Å; A321-N325 PolarHBondContact O-N 3.05Å; A321-N325 PolarHBondContact O-ND2 2.98Å
322H98.4Very high98Very high41 Ų4137.4 Ų37.419%0.1921%0.208CC..Hα-helixtrans-59.2-52.8171.5177.378.3000111.1P318 G320 Y324 N325 T326 S619 P620 M649P318-H322 PolarHBondContact O-N 3.44Å; G320-H322 VanDerWaalsContact C-N 3.32Å; G320-H322 PolarHBondContact O-N 2.57Å; H322-Y324 VanDerWaalsContact C-N 3.33Å; H322-Y324 PolarHBondContact O-N 3.49Å; H322-N325 PolarHBondContact O-N 2.85Å; H322-T326 WeakPolarHBondContact O-CB 3.4Å; H322-T326 PolarHBondContact O-N 2.73Å; H322-T326 PolarHBondContact O-OG1 2.79Å; H322-S619 PolarHBondContact NE2-O 2.68Å; H322-P620 HydrophobicContact CB-CB 4.23Å; H322-M649 HydrophobicContact CB-CE 4.44Å; H322-M649 WeakPolarHBondContact CE1-CG 3.45Å; H322-M649 PolarHBondContact ND1-SD 3.09Å; H322-M649 VanDerWaalsContact ND1-SD 3.44Å
323I98.6Very high98.2Very high0 Ų038.9 Ų38.90%022%0.218CC..Hα-helixtrans-57.1-48.5178.3-64.8159.8000110.6L303 A319 G320 N325 T326 L327 I603 W614 L618 P620L303-I323 HydrophobicContact CD1-CD1 4.1Å; L303-I323 HydrophobicContact CD2-CD1 3.89Å; A319-I323 PolarHBondContact O-N 2.9Å; G320-I323 PolarHBondContact O-N 2.86Å; I323-N325 PolarHBondContact O-N 3.02Å; I323-T326 PolarHBondContact O-N 3.16Å; I323-L327 HydrophobicContact CG2-CD1 3.95Å; I323-L327 HydrophobicContact CG2-CG 4.46Å; I323-L327 WeakPolarHBondContact O-CG 3.34Å; I323-L327 PolarHBondContact O-N 3.44Å; I323-I603 HydrophobicContact CG2-CD1 4.32Å; I323-I603 HydrophobicContact CG2-CG1 3.99Å; I323-W614 HydrophobicContact CD1-CD2 3.9Å; I323-W614 VanDerWaalsContact CD1-CE2 3.5Å; I323-W614 HydrophobicContact CD1-CE3 4.24Å; I323-W614 HydrophobicContact CD1-CH2 3.9Å; I323-W614 HydrophobicContact CD1-CZ2 3.52Å; I323-W614 HydrophobicContact CD1-CZ3 4.24Å; I323-W614 HydrophobicContact CG1-CD2 4.43Å; I323-W614 HydrophobicContact CG1-CE3 4.45Å; I323-W614 HydrophobicContact CG2-CE3 4.45Å; I323-W614 HydrophobicContact CG2-CH2 4.01Å; I323-W614 HydrophobicContact CG2-CZ3 3.86Å; I323-L618 WeakPolarHBondContact CG1-O 3.35Å; I323-L618 HydrophobicContact CG2-CD1 4.05Å; I323-L618 HydrophobicContact CG2-CD2 4.39Å; I323-L618 HydrophobicContact CG2-CG 4.11Å; I323-P620 HydrophobicContact CD1-CG 3.96Å; I323-P620 HydrophobicContact CG1-CG 4.19Å
324Y98.7Very high98.3Very high17 Ų1738 Ų387%0.06721%0.211CC..Hα-helixtrans-55.6-52.7179-172.2-72.3000111.7F316 G320 A321 H322 T326 L327 V328 R428 Q430 V599 I603F316-Y324 HydrophobicContact CD2-CD2 4.06Å; F316-Y324 HydrophobicContact CD2-CE2 4.33Å; F316-Y324 HydrophobicContact CE1-CD2 4.27Å; F316-Y324 AromaticContact CE2-CD2 3.73Å; F316-Y324 HydrophobicContact CE2-CD2 3.73Å; F316-Y324 AromaticContact CE2-CE2 3.85Å; F316-Y324 HydrophobicContact CE2-CE2 3.85Å; F316-Y324 HydrophobicContact CG-CD2 4.46Å; F316-Y324 AromaticContact CZ-CD2 3.84Å; F316-Y324 HydrophobicContact CZ-CD2 3.84Å; F316-Y324 HydrophobicContact CZ-CE2 4.26Å; G320-Y324 WeakPolarHBondContact O-CB 3.4Å; G320-Y324 PolarHBondContact O-N 2.8Å; A321-Y324 PolarHBondContact O-N 2.9Å; H322-Y324 VanDerWaalsContact C-N 3.33Å; H322-Y324 PolarHBondContact O-N 3.49Å; Y324-T326 VanDerWaalsContact C-N 3.35Å; Y324-T326 PolarHBondContact O-N 3.22Å; Y324-L327 PolarHBondContact O-N 2.7Å; Y324-V328 HydrophobicContact CD1-CG2 3.89Å; Y324-V328 HydrophobicContact CE1-CG2 3.74Å; Y324-V328 WeakPolarHBondContact O-CG2 3.33Å; Y324-V328 PolarHBondContact O-N 2.97Å; Y324-R428 PolarHBondContact OH-NH1 3.39Å; Y324-R428 VanDerWaalsContact OH-NH1 3.16Å; Y324-Q430 WeakPolarHBondContact OH-CB 3.32Å; Y324-Q430 VanDerWaalsContact OH-CD 3.3Å; Y324-Q430 PolarHBondContact OH-OE1 3.45Å; Y324-V599 HydrophobicContact CD1-CG1 4.14Å; Y324-V599 HydrophobicContact CD2-CB 4.21Å; Y324-V599 HydrophobicContact CD2-CG1 3.43Å; Y324-V599 VanDerWaalsContact CD2-CG1 3.43Å; Y324-V599 HydrophobicContact CE1-CG1 4.26Å; Y324-V599 HydrophobicContact CE2-CB 3.85Å; Y324-V599 HydrophobicContact CE2-CG1 3.59Å; Y324-V599 HydrophobicContact CG-CG1 3.74Å; Y324-I603 HydrophobicContact CD2-CD1 3.93Å; Y324-I603 HydrophobicContact CG-CD1 4.37Å
325N98.4Very high98.3Very high101 Ų10137.3 Ų37.354%0.5421%0.206SC..Hα-helixtrans-69.1-34.9-177.1-70.4-26.1000112A321 H322 I323 V328 S329A321-N325 VanDerWaalsContact O-CB 3.31Å; A321-N325 WeakPolarHBondContact O-CB 3.13Å; A321-N325 VanDerWaalsContact O-CG 3.24Å; A321-N325 PolarHBondContact O-N 3.05Å; A321-N325 PolarHBondContact O-ND2 2.98Å; H322-N325 PolarHBondContact O-N 2.85Å; I323-N325 PolarHBondContact O-N 3.02Å; N325-V328 PolarHBondContact O-N 3.23Å; N325-S329 VanDerWaalsContact O-CB 3.23Å; N325-S329 WeakPolarHBondContact O-CB 2.76Å; N325-S329 PolarHBondContact O-N 3.47Å
326T98.4Very high98.3Very high30 Ų3042.6 Ų42.618%0.18422%0.223CC..Hα-helixtrans-64.7-42.5174.4-61.20000111.1H322 I323 Y324 S329 F330 W617 L618H322-T326 WeakPolarHBondContact O-CB 3.4Å; H322-T326 PolarHBondContact O-N 2.73Å; H322-T326 PolarHBondContact O-OG1 2.79Å; I323-T326 PolarHBondContact O-N 3.16Å; Y324-T326 VanDerWaalsContact C-N 3.35Å; Y324-T326 PolarHBondContact O-N 3.22Å; T326-S329 PolarHBondContact O-N 3Å; T326-F330 VanDerWaalsContact O-CB 3.3Å; T326-F330 WeakPolarHBondContact O-CB 3.34Å; T326-F330 PolarHBondContact O-N 3.21Å; T326-W617 HydrophobicContact CG2-CE3 3.81Å; T326-W617 HydrophobicContact CG2-CZ3 3.84Å; T326-W617 WeakPolarHBondContact CG2-O 3.41Å; T326-L618 HydrophobicContact CG2-CD1 3.75Å
327L98.4Very high98.3Very high0 Ų046.5 Ų46.50%024%0.24CC..Hα-helixtrans-63.3-46174.2-72.4169.7000112.1I323 Y324 F330 I331 F461 V599 I602 I603 L606 W617 L618I323-L327 HydrophobicContact CG2-CD1 3.95Å; I323-L327 HydrophobicContact CG2-CG 4.46Å; I323-L327 WeakPolarHBondContact O-CG 3.34Å; I323-L327 PolarHBondContact O-N 3.44Å; Y324-L327 PolarHBondContact O-N 2.7Å; L327-F330 PolarHBondContact O-N 3.1Å; L327-I331 WeakPolarHBondContact O-CG2 3.22Å; L327-I331 PolarHBondContact O-N 3.04Å; L327-F461 HydrophobicContact CD2-CE1 3.77Å; L327-F461 HydrophobicContact CD2-CZ 3.65Å; L327-V599 HydrophobicContact CD1-CG1 4.48Å; L327-I602 HydrophobicContact CD1-CG2 4.03Å; L327-I603 HydrophobicContact CD1-CD1 4.2Å; L327-I603 HydrophobicContact CD1-CG1 3.49Å; L327-I603 VanDerWaalsContact CD1-CG1 3.49Å; L327-L606 HydrophobicContact CD1-CD1 4.18Å; L327-L606 HydrophobicContact CD2-CD1 3.9Å; L327-W617 HydrophobicContact CD2-CH2 4.43Å; L327-L618 HydrophobicContact CD2-CD1 3.94Å; L327-L618 HydrophobicContact CD2-CD2 4.21Å; L327-L618 HydrophobicContact CG-CD1 3.79Å
328V98.4Very high98.2Very high13 Ų1346.5 Ų46.58%0.07924%0.236CC..Hα-helixtrans-62.1-44.5177.7170.90000111Y324 N325 I331 R332 V599Y324-V328 HydrophobicContact CD1-CG2 3.89Å; Y324-V328 HydrophobicContact CE1-CG2 3.74Å; Y324-V328 WeakPolarHBondContact O-CG2 3.33Å; Y324-V328 PolarHBondContact O-N 2.97Å; N325-V328 PolarHBondContact O-N 3.23Å; V328-I331 WeakPolarHBondContact O-CG2 3.3Å; V328-I331 PolarHBondContact O-N 3.22Å; V328-R332 HydrophobicContact CG1-CG 4.29Å; V328-R332 VanDerWaalsContact O-CB 3.28Å; V328-R332 WeakPolarHBondContact O-CB 3.31Å; V328-R332 WeakPolarHBondContact O-CD 3.35Å; V328-R332 WeakPolarHBondContact O-CG 3.27Å; V328-R332 PolarHBondContact O-N 3.01Å; V328-V599 HydrophobicContact CG2-CG1 4.3Å; V328-V599 HydrophobicContact CG2-CG2 3.84Å
329S98Very high98.2Very high79 Ų7943.3 Ų43.355%0.55222%0.223SC*.Hα-helixtrans-62.1-46176.3-1780000111.7N325 T326 S333N325-S329 VanDerWaalsContact O-CB 3.23Å; N325-S329 WeakPolarHBondContact O-CB 2.76Å; N325-S329 PolarHBondContact O-N 3.47Å; T326-S329 PolarHBondContact O-N 3Å; S329-S333 WeakPolarHBondContact O-CB 2.97Å; S329-S333 PolarHBondContact O-N 3.47Å
330F98.2Very high98.2Very high8 Ų842.9 Ų42.94%0.03522%0.219CC..Hα-helixtrans-56.4-55.9175.9163.9-122.2000111.1T326 L327 R332 S333 E334 Y456 V457 V460 F461 W617T326-F330 VanDerWaalsContact O-CB 3.3Å; T326-F330 WeakPolarHBondContact O-CB 3.34Å; T326-F330 PolarHBondContact O-N 3.21Å; L327-F330 PolarHBondContact O-N 3.1Å; F330-R332 PolarHBondContact O-N 3.48Å; F330-S333 PolarHBondContact O-N 3.4Å; F330-S333 PolarHBondContact O-OG 3.3Å; F330-E334 HydrophobicContact CD2-CG 4.03Å; F330-E334 HydrophobicContact CE2-CG 3.65Å; F330-E334 HydrophobicContact CZ-CG 4.24Å; F330-E334 WeakPolarHBondContact O-CG 3.26Å; F330-E334 PolarHBondContact O-N 3.07Å; F330-Y456 HydrophobicContact CE2-CE1 4.14Å; F330-Y456 HydrophobicContact CZ-CE1 4.32Å; F330-V457 HydrophobicContact CE1-CG1 4.02Å; F330-V457 HydrophobicContact CE1-CG2 4.5Å; F330-V457 HydrophobicContact CZ-CG1 4.43Å; F330-V457 HydrophobicContact CZ-CG2 4.28Å; F330-V460 HydrophobicContact CE1-CG1 4.48Å; F330-V460 HydrophobicContact CE2-CG1 4.45Å; F330-V460 HydrophobicContact CZ-CB 4.13Å; F330-V460 HydrophobicContact CZ-CG1 3.99Å; F330-V460 HydrophobicContact CZ-CG2 4.16Å; F330-F461 HydrophobicContact CD1-CZ 4.08Å; F330-F461 HydrophobicContact CE1-CE1 4.23Å; F330-F461 HydrophobicContact CE1-CE2 4.31Å; F330-F461 AromaticContact CE1-CZ 3.73Å; F330-F461 HydrophobicContact CE1-CZ 3.73Å; F330-W617 HydrophobicContact CB-CH2 4.49Å; F330-W617 HydrophobicContact CB-CZ3 4.14Å; F330-W617 HydrophobicContact CD1-CH2 4.07Å; F330-W617 HydrophobicContact CG-CH2 4.23Å; F330-W617 HydrophobicContact CG-CZ3 4.3Å
331I98Very high98.2Very high1 Ų148.4 Ų48.41%0.00524%0.244CC..Hα-helixtrans-65.5-42-174.6-165.159.4000111.3L327 V328 S333 E334 Y335 F408 D432 F453 V457 I595 L596L327-I331 WeakPolarHBondContact O-CG2 3.22Å; L327-I331 PolarHBondContact O-N 3.04Å; V328-I331 WeakPolarHBondContact O-CG2 3.3Å; V328-I331 PolarHBondContact O-N 3.22Å; I331-S333 VanDerWaalsContact C-N 3.31Å; I331-S333 PolarHBondContact O-N 3.37Å; I331-E334 WeakPolarHBondContact O-CA 3.43Å; I331-E334 PolarHBondContact O-N 3.48Å; I331-Y335 HydrophobicContact CD1-CD2 4.08Å; I331-Y335 HydrophobicContact CD1-CE2 3.85Å; I331-Y335 HydrophobicContact CG1-CD2 3.75Å; I331-Y335 HydrophobicContact CG1-CE2 3.59Å; I331-Y335 VanDerWaalsContact O-CD2 3.31Å; I331-Y335 WeakPolarHBondContact O-CD2 3.38Å; I331-Y335 PolarHBondContact O-N 3.19Å; I331-F408 HydrophobicContact CG2-CE1 3.82Å; I331-D432 HydrophobicContact CG1-CB 3.88Å; I331-D432 HydrophobicContact CG2-CB 4.26Å; I331-F453 HydrophobicContact CD1-CE2 4.01Å; I331-F453 HydrophobicContact CD1-CZ 3.78Å; I331-V457 HydrophobicContact CD1-CG1 4.49Å; I331-V457 HydrophobicContact CD1-CG2 3.96Å; I331-I595 HydrophobicContact CD1-CB 4.23Å; I331-I595 HydrophobicContact CD1-CG2 4.33Å; I331-L596 HydrophobicContact CB-CD1 3.89Å; I331-L596 HydrophobicContact CB-CG 4.41Å; I331-L596 HydrophobicContact CD1-CD2 4.46Å; I331-L596 HydrophobicContact CD1-CG 4.27Å; I331-L596 HydrophobicContact CG1-CD1 4.04Å; I331-L596 HydrophobicContact CG1-CG 4.06Å; I331-L596 HydrophobicContact CG2-CD1 3.91Å
332R98.2Very high98.2Very high100 Ų10051.3 Ų51.338%0.37725%0.253SS..Hα-helixtrans-55.7-44.2174.6-74.6173.468.7161.70.5112.4V328 F330 E334 Y335 W336 E342 F408V328-R332 HydrophobicContact CG1-CG 4.29Å; V328-R332 VanDerWaalsContact O-CB 3.28Å; V328-R332 WeakPolarHBondContact O-CB 3.31Å; V328-R332 WeakPolarHBondContact O-CD 3.35Å; V328-R332 WeakPolarHBondContact O-CG 3.27Å; V328-R332 PolarHBondContact O-N 3.01Å; F330-R332 PolarHBondContact O-N 3.48Å; R332-E334 PolarHBondContact O-N 3.05Å; R332-Y335 PolarHBondContact O-N 3.43Å; R332-W336 PolarHBondContact O-N 2.88Å; R332-E342 IonicContact CZ-OE1 3.35Å; R332-E342 IonicContact CZ-OE2 2.81Å; R332-E342 IonicContact NE-OE1 3.7Å; R332-E342 PolarHBondContact NE-OE1 3.42Å; R332-E342 IonicContact NE-OE2 2.79Å; R332-E342 PolarHBondContact NE-OE2 2.85Å; R332-E342 IonicContact NH1-OE2 3.92Å; R332-E342 IonicContact NH2-OE1 3.23Å; R332-E342 PolarHBondContact NH2-OE1 2.93Å; R332-E342 VanDerWaalsContact NH2-OE1 3.11Å; R332-E342 IonicContact NH2-OE2 2.71Å; R332-E342 PolarHBondContact NH2-OE2 3.44Å; R332-F408 HydrophobicContact CB-CE2 4.49Å; R332-F408 HydrophobicContact CB-CZ 4.34Å; R332-F408 HydrophobicContact CG-CD1 4.07Å; R332-F408 HydrophobicContact CG-CD2 3.8Å; R332-F408 HydrophobicContact CG-CE1 3.77Å; R332-F408 HydrophobicContact CG-CE2 3.5Å; R332-F408 HydrophobicContact CG-CG 4.09Å; R332-F408 HydrophobicContact CG-CZ 3.48Å; R332-F408 VanDerWaalsContact CG-CZ 3.48Å
333S98Very high98.2Very high39 Ų3950.3 Ų50.327%0.27325%0.25SC..Hα-helixtrans-61-34.1176.780.90000112.6S329 F330 I331 K337S329-S333 WeakPolarHBondContact O-CB 2.97Å; S329-S333 PolarHBondContact O-N 3.47Å; F330-S333 PolarHBondContact O-N 3.4Å; F330-S333 PolarHBondContact O-OG 3.3Å; I331-S333 VanDerWaalsContact C-N 3.31Å; I331-S333 PolarHBondContact O-N 3.37Å; S333-K337 VanDerWaalsContact O-CG 3.32Å; S333-K337 WeakPolarHBondContact O-CG 3.14Å; S333-K337 PolarHBondContact O-N 2.8Å
334E98.2Very high98.1Very high4 Ų458.1 Ų58.12%0.01929%0.29CS..Hα-helixtrans-79.4-31.4179.1-63.9-54.5142.300112.7F330 I331 R332 K337 R338 F453 Y456 R717F330-E334 HydrophobicContact CD2-CG 4.03Å; F330-E334 HydrophobicContact CE2-CG 3.65Å; F330-E334 HydrophobicContact CZ-CG 4.24Å; F330-E334 WeakPolarHBondContact O-CG 3.26Å; F330-E334 PolarHBondContact O-N 3.07Å; I331-E334 WeakPolarHBondContact O-CA 3.43Å; I331-E334 PolarHBondContact O-N 3.48Å; R332-E334 PolarHBondContact O-N 3.05Å; E334-K337 IonicContact OE1-NZ 2.91Å; E334-K337 PolarHBondContact OE1-NZ 2.91Å; E334-K337 IonicContact OE2-NZ 3.2Å; E334-R338 WeakPolarHBondContact O-CD 3.25Å; E334-R338 WeakPolarHBondContact O-CG 3.48Å; E334-R338 PolarHBondContact O-NH1 2.72Å; E334-R338 IonicContact OE2-CZ 3.49Å; E334-R338 IonicContact OE2-NH1 3.68Å; E334-R338 PolarHBondContact OE2-NH1 3.41Å; E334-R338 IonicContact OE2-NH2 3.73Å; E334-F453 HydrophobicContact CB-CE2 3.47Å; E334-F453 VanDerWaalsContact CB-CE2 3.47Å; E334-F453 HydrophobicContact CB-CZ 3.66Å; E334-F453 HydrophobicContact CG-CE2 4.44Å; E334-Y456 HydrophobicContact CG-CD1 4.36Å; E334-Y456 HydrophobicContact CG-CE1 3.84Å; E334-Y456 VanDerWaalsContact OE2-CE1 3.26Å; E334-Y456 WeakPolarHBondContact OE2-CE1 3.31Å; E334-R717 IonicContact OE1-CZ 2.84Å; E334-R717 IonicContact OE1-NH1 3.45Å; E334-R717 PolarHBondContact OE1-NH1 3.49Å; E334-R717 IonicContact OE1-NH2 3.8Å
335Y98.2Very high98.1Very high2 Ų257.8 Ų57.81%0.00829%0.289CS..Hα-helixtrans-65-45.7169.2-90.8-92.3000111.4I331 R332 K337 R338 G339 F340 A406 F408 D432 A434 F453 R593 I595I331-Y335 HydrophobicContact CD1-CD2 4.08Å; I331-Y335 HydrophobicContact CD1-CE2 3.85Å; I331-Y335 HydrophobicContact CG1-CD2 3.75Å; I331-Y335 HydrophobicContact CG1-CE2 3.59Å; I331-Y335 VanDerWaalsContact O-CD2 3.31Å; I331-Y335 WeakPolarHBondContact O-CD2 3.38Å; I331-Y335 PolarHBondContact O-N 3.19Å; R332-Y335 PolarHBondContact O-N 3.43Å; Y335-K337 PolarHBondContact O-N 3.28Å; Y335-R338 CarbonylContact O-C 3.52Å; Y335-R338 PolarHBondContact O-N 3.05Å; Y335-G339 PolarHBondContact O-N 2.82Å; Y335-F340 HydrophobicContact CD1-CB 3.79Å; Y335-F340 AromaticContact CD1-CD1 3.63Å; Y335-F340 HydrophobicContact CD1-CD1 3.63Å; Y335-F340 AromaticContact CD1-CD2 3.64Å; Y335-F340 HydrophobicContact CD1-CD2 3.64Å; Y335-F340 HydrophobicContact CD1-CE1 4.09Å; Y335-F340 HydrophobicContact CD1-CE2 4.07Å; Y335-F340 AromaticContact CD1-CG 3.41Å; Y335-F340 HydrophobicContact CD1-CG 3.41Å; Y335-F340 VanDerWaalsContact CD1-CG 3.41Å; Y335-F340 HydrophobicContact CD1-CZ 4.28Å; Y335-F340 AromaticContact CE1-CD1 3.87Å; Y335-F340 HydrophobicContact CE1-CD1 3.87Å; Y335-F340 HydrophobicContact CE1-CD2 4.26Å; Y335-F340 AromaticContact CE1-CE1 3.89Å; Y335-F340 HydrophobicContact CE1-CE1 3.89Å; Y335-F340 HydrophobicContact CE1-CE2 4.26Å; Y335-F340 HydrophobicContact CE1-CG 4.08Å; Y335-F340 HydrophobicContact CE1-CZ 4.08Å; Y335-F340 HydrophobicContact CG-CB 4.47Å; Y335-F340 HydrophobicContact CG-CD2 4.46Å; Y335-F340 HydrophobicContact CG-CG 4.4Å; Y335-F340 PolarHBondContact O-N 2.93Å; Y335-A406 HydrophobicContact CD1-CB 3.83Å; Y335-A406 HydrophobicContact CE1-CB 4.33Å; Y335-A406 HydrophobicContact CG-CB 4.44Å; Y335-F408 HydrophobicContact CD2-CE1 4.48Å; Y335-F408 HydrophobicContact CD2-CZ 4Å; Y335-F408 HydrophobicContact CE2-CZ 4.47Å; Y335-F408 HydrophobicContact CG-CZ 4.14Å; Y335-D432 HydrophobicContact CE2-CB 4.02Å; Y335-D432 WeakPolarHBondContact CE2-OD2 3.31Å; Y335-D432 PolarHBondContact OH-O 2.64Å; Y335-D432 PolarHBondContact OH-OD2 2.83Å; Y335-A434 HydrophobicContact CD1-CB 4.24Å; Y335-A434 HydrophobicContact CE1-CB 3.36Å; Y335-F453 HydrophobicContact CD1-CE1 4.23Å; Y335-F453 AromaticContact CD2-CE1 3.75Å; Y335-F453 HydrophobicContact CD2-CE1 3.75Å; Y335-F453 AromaticContact CD2-CZ 3.61Å; Y335-F453 HydrophobicContact CD2-CZ 3.61Å; Y335-F453 HydrophobicContact CE1-CE1 4.17Å; Y335-F453 AromaticContact CE2-CE1 3.76Å; Y335-F453 HydrophobicContact CE2-CE1 3.76Å; Y335-F453 AromaticContact CE2-CZ 3.77Å; Y335-F453 HydrophobicContact CE2-CZ 3.77Å; Y335-F453 HydrophobicContact CG-CE1 4.01Å; Y335-F453 HydrophobicContact CG-CZ 4.21Å; Y335-F453 AromaticContact CZ-CE1 3.99Å; Y335-R593 PolarHBondContact OH-NE 2.77Å; Y335-R593 PolarHBondContact OH-NH2 3.09Å; Y335-I595 HydrophobicContact CE2-CG1 4.47Å
336W98.2Very high98.1Very high198 Ų19856.7 Ų56.775%0.7529%0.288SS*.Hα-helixtrans-56.2-48.5176.6173.9-103.6000112.4R332 R338 G339R332-W336 PolarHBondContact O-N 2.88Å; W336-R338 PolarHBondContact O-N 2.99Å; W336-G339 PolarHBondContact O-N 3.04Å
337K98Very high98Very high127 Ų12758.6 Ų58.655%0.55230%0.297SS*.THydrogen-bonded Turntrans-57.6-21.5177-71.9170.5-172.3174.30113.8S333 E334 Y335S333-K337 VanDerWaalsContact O-CG 3.32Å; S333-K337 WeakPolarHBondContact O-CG 3.14Å; S333-K337 PolarHBondContact O-N 2.8Å; E334-K337 IonicContact OE1-NZ 2.91Å; E334-K337 PolarHBondContact OE1-NZ 2.91Å; E334-K337 IonicContact OE2-NZ 3.2Å; Y335-K337 PolarHBondContact O-N 3.28Å
338R97.7Very high98Very high59 Ų5962.6 Ų62.622%0.22332%0.318CS..THydrogen-bonded Turntrans-105.614.9-176.9-67.7169.5177.978.7-4.1112.7E334 Y335 W336 F340 F453E334-R338 WeakPolarHBondContact O-CD 3.25Å; E334-R338 WeakPolarHBondContact O-CG 3.48Å; E334-R338 PolarHBondContact O-NH1 2.72Å; E334-R338 IonicContact OE2-CZ 3.49Å; E334-R338 IonicContact OE2-NH1 3.68Å; E334-R338 PolarHBondContact OE2-NH1 3.41Å; E334-R338 IonicContact OE2-NH2 3.73Å; Y335-R338 CarbonylContact O-C 3.52Å; Y335-R338 PolarHBondContact O-N 3.05Å; W336-R338 PolarHBondContact O-N 2.99Å; R338-F340 HydrophobicContact CB-CD2 4.06Å; R338-F340 HydrophobicContact CB-CE2 4.14Å; R338-F340 PolarHBondContact O-N 2.98Å; R338-F453 VanDerWaalsContact CZ-CD2 3.42Å
339G97.6Very high97.9Very high45 Ų4563.3 Ų63.346%0.46432%0.319SS..THydrogen-bonded Turntrans77.218.2171.300000114.9Y335 W336Y335-G339 PolarHBondContact O-N 2.82Å; W336-G339 PolarHBondContact O-N 3.04Å
340F98.2Very high97.9Very high6 Ų661.6 Ų61.63%0.02630%0.304CS..PPolyproline II helixtrans-78.2139.9170.9-71.4-103.1000110.8Y335 R338 R404 A406 A434 I436Y335-F340 HydrophobicContact CD1-CB 3.79Å; Y335-F340 AromaticContact CD1-CD1 3.63Å; Y335-F340 HydrophobicContact CD1-CD1 3.63Å; Y335-F340 AromaticContact CD1-CD2 3.64Å; Y335-F340 HydrophobicContact CD1-CD2 3.64Å; Y335-F340 HydrophobicContact CD1-CE1 4.09Å; Y335-F340 HydrophobicContact CD1-CE2 4.07Å; Y335-F340 AromaticContact CD1-CG 3.41Å; Y335-F340 HydrophobicContact CD1-CG 3.41Å; Y335-F340 VanDerWaalsContact CD1-CG 3.41Å; Y335-F340 HydrophobicContact CD1-CZ 4.28Å; Y335-F340 AromaticContact CE1-CD1 3.87Å; Y335-F340 HydrophobicContact CE1-CD1 3.87Å; Y335-F340 HydrophobicContact CE1-CD2 4.26Å; Y335-F340 AromaticContact CE1-CE1 3.89Å; Y335-F340 HydrophobicContact CE1-CE1 3.89Å; Y335-F340 HydrophobicContact CE1-CE2 4.26Å; Y335-F340 HydrophobicContact CE1-CG 4.08Å; Y335-F340 HydrophobicContact CE1-CZ 4.08Å; Y335-F340 HydrophobicContact CG-CB 4.47Å; Y335-F340 HydrophobicContact CG-CD2 4.46Å; Y335-F340 HydrophobicContact CG-CG 4.4Å; Y335-F340 PolarHBondContact O-N 2.93Å; R338-F340 HydrophobicContact CB-CD2 4.06Å; R338-F340 HydrophobicContact CB-CE2 4.14Å; R338-F340 PolarHBondContact O-N 2.98Å; F340-R404 HydrophobicContact CB-CB 4.36Å; F340-R404 HydrophobicContact CD1-CB 3.61Å; F340-R404 HydrophobicContact CD1-CG 4.48Å; F340-R404 HydrophobicContact CD2-CB 4.48Å; F340-R404 HydrophobicContact CE1-CB 3.95Å; F340-R404 HydrophobicContact CE1-CG 4.39Å; F340-R404 HydrophobicContact CG-CB 3.89Å; F340-A406 HydrophobicContact CB-CB 4.09Å; F340-A406 HydrophobicContact CD1-CB 4.29Å; F340-A434 HydrophobicContact CD1-CB 3.88Å; F340-A434 HydrophobicContact CE1-CB 3.64Å; F340-I436 HydrophobicContact CE1-CD1 4.25Å; F340-I436 HydrophobicContact CE1-CG1 3.88Å; F340-I436 HydrophobicContact CZ-CD1 3.86Å; F340-I436 HydrophobicContact CZ-CG1 4.01Å
341Q97.8Very high97.9Very high116 Ų11661.9 Ų61.954%0.54231%0.307SS..EExtended strand (participates in β ladder)trans-102.5126.9173.6-60.8-176.516.500109.1R404 F405 A406Q341-R404 PolarHBondContact N-O 2.87Å; Q341-F405 WeakPolarHBondContact O-CA 3.37Å; Q341-A406 PolarHBondContact O-N 2.68Å
342E98.1Very high97.9Very high91 Ų9163.8 Ų63.843%0.42532%0.322SS..EExtended strand (participates in β ladder)trans-72.5133.9177.3-65.5-168.8-159.300111R332 A406 F408R332-E342 IonicContact CZ-OE1 3.35Å; R332-E342 IonicContact CZ-OE2 2.81Å; R332-E342 IonicContact NE-OE1 3.7Å; R332-E342 PolarHBondContact NE-OE1 3.42Å; R332-E342 IonicContact NE-OE2 2.79Å; R332-E342 PolarHBondContact NE-OE2 2.85Å; R332-E342 IonicContact NH1-OE2 3.92Å; R332-E342 IonicContact NH2-OE1 3.23Å; R332-E342 PolarHBondContact NH2-OE1 2.93Å; R332-E342 VanDerWaalsContact NH2-OE1 3.11Å; R332-E342 IonicContact NH2-OE2 2.71Å; R332-E342 PolarHBondContact NH2-OE2 3.44Å; E342-A406 CarbonylContact C-O 3.56Å; E342-A406 VanDerWaalsContact CA-O 3.29Å; E342-A406 WeakPolarHBondContact CA-O 3.23Å; E342-F408 HydrophobicContact CG-CD2 4.41Å; E342-F408 HydrophobicContact CG-CE2 4.06Å
343V98.3Very high97.9Very high21 Ų2159.6 Ų59.613%0.12731%0.307CS..  trans-126.1159.8174.6-61.80000110.2H387 M390 F405 A406 D407V343-H387 WeakPolarHBondContact CG2-NE2 3.42Å; V343-M390 HydrophobicContact CB-CE 3.74Å; V343-M390 HydrophobicContact CB-SD 4Å; V343-M390 HydrophobicContact CG1-CE 3.61Å; V343-M390 HydrophobicContact CG1-SD 4.32Å; V343-M390 HydrophobicContact CG2-CE 4.47Å; V343-M390 HydrophobicContact CG2-SD 4.13Å; V343-F405 HydrophobicContact CG1-CB 4.33Å; V343-F405 HydrophobicContact CG1-CD1 3.63Å; V343-F405 HydrophobicContact CG1-CE1 4.04Å; V343-F405 HydrophobicContact CG1-CG 3.97Å; V343-F405 HydrophobicContact CG2-CB 3.99Å; V343-F405 HydrophobicContact CG2-CG 4.33Å; V343-A406 PolarHBondContact N-O 3.5Å; V343-D407 HydrophobicContact CG2-CB 4.03Å
344I97.8Very high97.8Very high164 Ų16457.8 Ų57.884%0.84130%0.295SS*.  trans-126114.1177-58.6175.7000107.8
345T97.8Very high97.8Very high9 Ų961.6 Ų61.66%0.05531%0.313CS..  trans-102.4150.8176.564.50000112.4Y349 K380 N383 M390 D407T345-Y349 WeakPolarHBondContact CB-OH 3.43Å; T345-K380 PolarHBondContact O-NZ 3.21Å; T345-K380 PolarHBondContact OG1-NZ 2.95Å; T345-N383 PolarHBondContact OG1-OD1 2.86Å; T345-M390 HydrophobicContact CG2-SD 3.75Å; T345-D407 VanDerWaalsContact CB-OD2 3.31Å; T345-D407 WeakPolarHBondContact CB-OD2 2.97Å; T345-D407 VanDerWaalsContact CG2-OD2 3.25Å; T345-D407 WeakPolarHBondContact CG2-OD2 3.19Å; T345-D407 PolarHBondContact N-OD2 3.08Å; T345-D407 PolarHBondContact OG1-OD2 3.2Å
346P97.7Very high97.8Very high78 Ų7865.4 Ų65.451%0.50633%0.331SS..  trans-53.5158.6173.4-28.232.7000114.6Y349 K380P346-Y349 HydrophobicContact CB-CE1 4.17Å; P346-Y349 HydrophobicContact CB-CE2 4.3Å; P346-Y349 VanDerWaalsContact CD-OH 3.24Å; P346-Y349 WeakPolarHBondContact CD-OH 3.16Å; P346-Y349 HydrophobicContact CG-CE1 4.29Å; P346-Y349 WeakPolarHBondContact O-CE2 3.28Å; P346-Y349 PolarHBondContact O-OH 3.21Å; P346-K380 VanDerWaalsContact O-CD 3.24Å; P346-K380 WeakPolarHBondContact O-CD 3.05Å; P346-K380 VanDerWaalsContact O-CE 3.29Å; P346-K380 WeakPolarHBondContact O-CE 3.42Å
347N97.3Very high97.7Very high70 Ų7056 Ų5637%0.37430%0.295SS..SBendtrans-94-23.6178.6-70.9-31.4000114.2L379 K380N347-L379 CarbonylContact O-C 3.59Å; N347-L379 VanDerWaalsContact O-CA 3.3Å; N347-L379 WeakPolarHBondContact O-CA 3.34Å; N347-K380 PolarHBondContact O-N 3.11Å; N347-K380 VanDerWaalsContact OD1-CE 3.29Å; N347-K380 WeakPolarHBondContact OD1-CE 3.4Å
348I97.5Very high97.6Very high85 Ų8550 Ų5044%0.43627%0.269SS..EExtended strand (participates in β ladder)trans-123130.6-175.4-61.3170.2000107.9I370 F377 G378 L379I348-I370 HydrophobicContact CD1-CD1 4.28Å; I348-F377 HydrophobicContact CG2-CB 3.89Å; I348-F377 HydrophobicContact CG2-CD1 3.95Å; I348-F377 HydrophobicContact CG2-CG 4.33Å; I348-G378 WeakPolarHBondContact CA-O 3.39Å; I348-L379 HydrophobicContact CD1-CD2 4.37Å; I348-L379 HydrophobicContact CG1-CD2 3.69Å
349Y98Very high97.4Very high27 Ų2747.1 Ų47.111%0.10626%0.258CS..EExtended strand (participates in β ladder)trans-130.2153.9177.4-65.3-88.3000111.3T345 P346 L353 W354 F377 G378 K380 L389T345-Y349 WeakPolarHBondContact CB-OH 3.43Å; P346-Y349 HydrophobicContact CB-CE1 4.17Å; P346-Y349 HydrophobicContact CB-CE2 4.3Å; P346-Y349 VanDerWaalsContact CD-OH 3.24Å; P346-Y349 WeakPolarHBondContact CD-OH 3.16Å; P346-Y349 HydrophobicContact CG-CE1 4.29Å; P346-Y349 WeakPolarHBondContact O-CE2 3.28Å; P346-Y349 PolarHBondContact O-OH 3.21Å; Y349-L353 HydrophobicContact CD1-CD2 3.34Å; Y349-L353 HydrophobicContact CD2-CD2 4.04Å; Y349-L353 HydrophobicContact CE1-CD2 3.83Å; Y349-L353 HydrophobicContact CE2-CD2 4.46Å; Y349-L353 HydrophobicContact CG-CD2 3.44Å; Y349-L353 VanDerWaalsContact CG-CD2 3.44Å; Y349-W354 AromaticContact CD2-CH2 3.85Å; Y349-W354 HydrophobicContact CD2-CH2 3.85Å; Y349-W354 AromaticContact CD2-CZ2 3.7Å; Y349-W354 HydrophobicContact CD2-CZ2 3.7Å; Y349-W354 HydrophobicContact CE2-CH2 4.43Å; Y349-W354 HydrophobicContact CG-CH2 4.43Å; Y349-W354 HydrophobicContact CG-CZ2 4.11Å; Y349-F377 VanDerWaalsContact C-CD1 3.41Å; Y349-F377 CarbonylContact O-C 3.48Å; Y349-F377 WeakPolarHBondContact O-CA 3.05Å; Y349-F377 WeakPolarHBondContact O-CB 3.4Å; Y349-F377 WeakPolarHBondContact O-CD1 3.27Å; Y349-G378 PolarHBondContact N-O 3.17Å; Y349-G378 PolarHBondContact O-N 2.95Å; Y349-K380 HydrophobicContact CD2-CB 4.12Å; Y349-K380 HydrophobicContact CE2-CB 3.99Å; Y349-K380 HydrophobicContact CE2-CD 4.28Å; Y349-L389 HydrophobicContact CE1-CD1 4.41Å
350N97.9Very high97.3Very high43 Ų4348 Ų4823%0.2325%0.247CC..EExtended strand (participates in β ladder)trans-64.9144.5168.6-171.9-77.5000110.2A352 L353 Q375 F377N350-A352 PolarHBondContact O-N 2.76Å; N350-A352 VanDerWaalsContact O-N 3.11Å; N350-A352 VanDerWaalsContact OD1-CB 3.26Å; N350-A352 WeakPolarHBondContact OD1-CB 3.17Å; N350-A352 PolarHBondContact OD1-N 3.21Å; N350-L353 WeakPolarHBondContact O-CB 3.45Å; N350-L353 PolarHBondContact O-N 2.97Å; N350-Q375 PolarHBondContact ND2-OE1 3.25Å; N350-F377 HydrophobicContact CB-CD1 4.16Å; N350-F377 HydrophobicContact CB-CE1 3.85Å; N350-F377 HydrophobicContact CB-CZ 4.2Å
351S97.1Very high97.1Very high14 Ų1452.9 Ų52.910%0.09827%0.27CS..Hα-helixtrans-53.5-28.817845.40000114.1L353 W354 E355 T376S351-L353 PolarHBondContact O-N 3.27Å; S351-L353 VanDerWaalsContact O-N 3.11Å; S351-W354 WeakPolarHBondContact O-CA 3.48Å; S351-W354 WeakPolarHBondContact O-CB 3.38Å; S351-W354 PolarHBondContact O-N 3.06Å; S351-E355 PolarHBondContact O-N 3.35Å; S351-T376 WeakPolarHBondContact CB-O 3.33Å; S351-T376 PolarHBondContact N-O 3.32Å; S351-T376 PolarHBondContact OG-O 2.8Å
352A97.6Very high96.8Very high41 Ų4150.9 Ų50.934%0.33926%0.261SS..Hα-helixtrans-52.6-33.2174.400000113.4N350 E355 Q356N350-A352 PolarHBondContact O-N 2.76Å; N350-A352 VanDerWaalsContact O-N 3.11Å; N350-A352 VanDerWaalsContact OD1-CB 3.26Å; N350-A352 WeakPolarHBondContact OD1-CB 3.17Å; N350-A352 PolarHBondContact OD1-N 3.21Å; A352-E355 PolarHBondContact O-N 3.43Å; A352-Q356 VanDerWaalsContact O-CB 3.29Å; A352-Q356 WeakPolarHBondContact O-CB 3.38Å; A352-Q356 PolarHBondContact O-N 3.49Å
353L98.3Very high96.5Very high12 Ų1248.5 Ų48.56%0.06325%0.248CC..Hα-helixtrans-65.3-40.6175.6-178.963.2000112Y349 N350 S351 S357 P385 L389 F542Y349-L353 HydrophobicContact CD1-CD2 3.34Å; Y349-L353 HydrophobicContact CD2-CD2 4.04Å; Y349-L353 HydrophobicContact CE1-CD2 3.83Å; Y349-L353 HydrophobicContact CE2-CD2 4.46Å; Y349-L353 HydrophobicContact CG-CD2 3.44Å; Y349-L353 VanDerWaalsContact CG-CD2 3.44Å; N350-L353 WeakPolarHBondContact O-CB 3.45Å; N350-L353 PolarHBondContact O-N 2.97Å; S351-L353 PolarHBondContact O-N 3.27Å; S351-L353 VanDerWaalsContact O-N 3.11Å; L353-S357 WeakPolarHBondContact O-CB 3.37Å; L353-S357 PolarHBondContact O-N 3.02Å; L353-S357 PolarHBondContact O-OG 3.44Å; L353-P385 HydrophobicContact CD1-CB 3.89Å; L353-P385 HydrophobicContact CD2-CB 4.06Å; L353-P385 HydrophobicContact CG-CB 3.85Å; L353-L389 HydrophobicContact CD1-CD1 3.83Å; L353-L389 HydrophobicContact CD1-CD2 4.15Å; L353-L389 HydrophobicContact CD1-CG 3.97Å; L353-L389 HydrophobicContact CD2-CD1 4.32Å; L353-F542 HydrophobicContact CD1-CE1 3.58Å; L353-F542 HydrophobicContact CD1-CZ 3.62Å
354W97.5Very high96.2Very high1 Ų148.6 Ų48.60%0.00425%0.25CC..Hα-helixtrans-74.7-34.2-180-47129.2000111Y349 S351 S357 G358 H359 W360 L367 K380 P385Y349-W354 AromaticContact CD2-CH2 3.85Å; Y349-W354 HydrophobicContact CD2-CH2 3.85Å; Y349-W354 AromaticContact CD2-CZ2 3.7Å; Y349-W354 HydrophobicContact CD2-CZ2 3.7Å; Y349-W354 HydrophobicContact CE2-CH2 4.43Å; Y349-W354 HydrophobicContact CG-CH2 4.43Å; Y349-W354 HydrophobicContact CG-CZ2 4.11Å; S351-W354 WeakPolarHBondContact O-CA 3.48Å; S351-W354 WeakPolarHBondContact O-CB 3.38Å; S351-W354 PolarHBondContact O-N 3.06Å; W354-S357 WeakPolarHBondContact CA-OG 3.48Å; W354-S357 PolarHBondContact O-OG 3.46Å; W354-G358 CarbonylContact O-C 3.53Å; W354-G358 PolarHBondContact O-N 3.06Å; W354-G358 VanDerWaalsContact O-N 3.1Å; W354-H359 HydrophobicContact CB-CB 4.33Å; W354-H359 PolarHBondContact O-N 2.91Å; W354-W360 HydrophobicContact CB-CB 4.16Å; W354-W360 HydrophobicContact CB-CE3 4.26Å; W354-W360 PolarHBondContact O-N 3.17Å; W354-L367 HydrophobicContact CB-CD1 4.3Å; W354-L367 HydrophobicContact CD2-CD2 4.41Å; W354-L367 HydrophobicContact CG-CD1 4.1Å; W354-L367 HydrophobicContact CG-CD2 4.48Å; W354-K380 HydrophobicContact CH2-CB 3.82Å; W354-K380 HydrophobicContact CZ2-CB 4.19Å; W354-P385 HydrophobicContact CE3-CB 4.45Å; W354-P385 HydrophobicContact CE3-CG 4.11Å; W354-P385 HydrophobicContact CZ3-CB 4.06Å; W354-P385 HydrophobicContact CZ3-CG 3.71Å
355E97Very high95.9Very high85 Ų8547.7 Ų47.740%0.39724%0.242SC..Hα-helixtrans-64.9-47.9172-67.9172.8175.100111.2S351 A352 S357 G358 W360S351-E355 PolarHBondContact O-N 3.35Å; A352-E355 PolarHBondContact O-N 3.43Å; E355-S357 VanDerWaalsContact C-N 3.33Å; E355-S357 PolarHBondContact O-N 2.95Å; E355-G358 PolarHBondContact O-N 3.35Å; E355-W360 HydrophobicContact CB-CB 4.37Å; E355-W360 HydrophobicContact CG-CB 3.79Å; E355-W360 HydrophobicContact CG-CD2 4.28Å; E355-W360 HydrophobicContact CG-CG 3.76Å
356Q97.6Very high95.6Very high82 Ų8249.3 Ų49.338%0.38325%0.249SC..Hα-helixtrans-58.6-46.1177.4-178.3174.19.800110.9A352 G358 R541 F542A352-Q356 VanDerWaalsContact O-CB 3.29Å; A352-Q356 WeakPolarHBondContact O-CB 3.38Å; A352-Q356 PolarHBondContact O-N 3.49Å; Q356-G358 VanDerWaalsContact C-N 3.3Å; Q356-G358 PolarHBondContact O-N 3.3Å; Q356-R541 WeakPolarHBondContact CG-O 3.1Å; Q356-R541 PolarHBondContact NE2-O 2.93Å; Q356-R541 VanDerWaalsContact NE2-O 3.13Å; Q356-R541 VanDerWaalsContact O-CB 3.32Å; Q356-R541 WeakPolarHBondContact O-CB 3.41Å; Q356-R541 WeakPolarHBondContact O-CD 3.33Å; Q356-R541 PolarHBondContact O-NE 3.34Å; Q356-R541 VanDerWaalsContact O-NE 3.1Å; Q356-F542 HydrophobicContact CG-CD1 4.37Å; Q356-F542 HydrophobicContact CG-CE1 4.16Å; Q356-F542 HydrophobicContact CG-CZ 4.26Å
357S96.9Very high95.5Very high0 Ų045.8 Ų45.80%023%0.226CC..Hα-helixtrans-75.6-10.9-179.461.80000114.9L353 W354 E355 H359 L538L353-S357 WeakPolarHBondContact O-CB 3.37Å; L353-S357 PolarHBondContact O-N 3.02Å; L353-S357 PolarHBondContact O-OG 3.44Å; W354-S357 WeakPolarHBondContact CA-OG 3.48Å; W354-S357 PolarHBondContact O-OG 3.46Å; E355-S357 VanDerWaalsContact C-N 3.33Å; E355-S357 PolarHBondContact O-N 2.95Å; S357-H359 VanDerWaalsContact C-N 3.28Å; S357-H359 WeakPolarHBondContact CB-ND1 3.28Å; S357-H359 PolarHBondContact O-N 3.24Å; S357-H359 PolarHBondContact OG-ND1 3.06Å; S357-L538 WeakPolarHBondContact O-CD2 3.45Å
358G95.2Very high95.4Very high0 Ų045.3 Ų45.30%022%0.22CC..THydrogen-bonded Turntrans85.9-11.6-173.100000115.2W354 E355 Q356 W360 Q361 H362W354-G358 CarbonylContact O-C 3.53Å; W354-G358 PolarHBondContact O-N 3.06Å; W354-G358 VanDerWaalsContact O-N 3.1Å; E355-G358 PolarHBondContact O-N 3.35Å; Q356-G358 VanDerWaalsContact C-N 3.3Å; Q356-G358 PolarHBondContact O-N 3.3Å; G358-W360 PolarHBondContact O-N 3.36Å; G358-Q361 VanDerWaalsContact C-OE1 3.29Å; G358-Q361 VanDerWaalsContact CA-OE1 3.25Å; G358-Q361 PolarHBondContact O-N 3.21Å; G358-Q361 PolarHBondContact O-OE1 3.17Å; G358-Q361 VanDerWaalsContact O-OE1 3.11Å; G358-H362 PolarHBondContact O-CD2 3.12Å; G358-H362 VanDerWaalsContact O-CD2 3.29Å; G358-H362 PolarHBondContact O-N 2.96Å
359H95Very high95.3Very high0 Ų046.3 Ų46.30%022%0.222CC..Hα-helixtrans-64.3-23.1-179.8-7185.3000112.7W354 S357 Y363 S364 M382 F510 Y511W354-H359 HydrophobicContact CB-CB 4.33Å; W354-H359 PolarHBondContact O-N 2.91Å; S357-H359 VanDerWaalsContact C-N 3.28Å; S357-H359 WeakPolarHBondContact CB-ND1 3.28Å; S357-H359 PolarHBondContact O-N 3.24Å; S357-H359 PolarHBondContact OG-ND1 3.06Å; H359-Y363 CarbonylContact O-C 3.5Å; H359-Y363 WeakPolarHBondContact O-CA 3.37Å; H359-Y363 WeakPolarHBondContact O-CB 3.19Å; H359-Y363 PolarHBondContact O-N 3.35Å; H359-S364 PolarHBondContact O-N 2.85Å; H359-M382 VanDerWaalsContact CD2-CE 3.4Å; H359-M382 WeakPolarHBondContact CD2-CE 3.49Å; H359-M382 PolarHBondContact CD2-SD 3.29Å; H359-M382 PolarHBondContact NE2-SD 3.46Å; H359-F510 HydrophobicContact CB-CZ 4.47Å; H359-F510 AromaticContact CD2-CE1 3.65Å; H359-F510 AromaticContact CD2-CZ 3.45Å; H359-F510 VanDerWaalsContact CD2-CZ 3.45Å; H359-F510 WeakPolarHBondContact CD2-CZ 2.91Å; H359-F510 AromaticContact CE1-CZ 3.79Å; H359-F510 AromaticContact CG-CZ 3.79Å; H359-F510 AromaticContact ND1-CZ 3.99Å; H359-F510 AromaticContact NE2-CE1 3.7Å; H359-F510 AromaticContact NE2-CZ 3.44Å; H359-F510 WeakPolarHBondContact NE2-CZ 3.46Å; H359-Y511 AromaticContact NE2-CD1 4Å; H359-Y511 AromaticContact NE2-CE1 3.56Å
360W95.3Very high95.3Very high63 Ų6348 Ų4824%0.23923%0.232CC..Hα-helixtrans-64.3-46.6175-171.2-101.6000111.6W354 E355 G358 S364 L367 K369 T376W354-W360 HydrophobicContact CB-CB 4.16Å; W354-W360 HydrophobicContact CB-CE3 4.26Å; W354-W360 PolarHBondContact O-N 3.17Å; E355-W360 HydrophobicContact CB-CB 4.37Å; E355-W360 HydrophobicContact CG-CB 3.79Å; E355-W360 HydrophobicContact CG-CD2 4.28Å; E355-W360 HydrophobicContact CG-CG 3.76Å; G358-W360 PolarHBondContact O-N 3.36Å; W360-S364 WeakPolarHBondContact O-CB 3.19Å; W360-S364 PolarHBondContact O-N 2.92Å; W360-S364 PolarHBondContact O-OG 2.92Å; W360-L367 HydrophobicContact CE3-CD1 4.41Å; W360-K369 HydrophobicContact CH2-CD 4.2Å; W360-T376 HydrophobicContact CH2-CG2 3.98Å; W360-T376 HydrophobicContact CZ3-CG2 4.46Å
361Q93.6Very high95.2Very high109 Ų10952.3 Ų52.351%0.50926%0.255SS..Hα-helixtrans-71.8-35.1-176.8-63.478.15.600112G358G358-Q361 VanDerWaalsContact C-OE1 3.29Å; G358-Q361 VanDerWaalsContact CA-OE1 3.25Å; G358-Q361 PolarHBondContact O-N 3.21Å; G358-Q361 PolarHBondContact O-OE1 3.17Å; G358-Q361 VanDerWaalsContact O-OE1 3.11Å
362H91Very high95.2Very high73 Ų7354.5 Ų54.534%0.33827%0.267SS..Hα-helixtrans-102.2-14.9-174-64.8-87000114.6G358 K475 F510G358-H362 PolarHBondContact O-CD2 3.12Å; G358-H362 VanDerWaalsContact O-CD2 3.29Å; G358-H362 PolarHBondContact O-N 2.96Å; H362-K475 PolarHBondContact CE1-O 3.2Å; H362-K475 PolarHBondContact ND1-O 2.98Å; H362-F510 HydrophobicContact CB-CB 4.35Å; H362-F510 HydrophobicContact CB-CD1 3.71Å; H362-F510 HydrophobicContact CB-CD2 3.79Å; H362-F510 HydrophobicContact CB-CE1 3.86Å; H362-F510 HydrophobicContact CB-CE2 3.95Å; H362-F510 HydrophobicContact CB-CG 3.68Å; H362-F510 HydrophobicContact CB-CZ 3.97Å; H362-F510 AromaticContact CD2-CD2 3.42Å; H362-F510 VanDerWaalsContact CD2-CD2 3.42Å; H362-F510 WeakPolarHBondContact CD2-CD2 3.4Å; H362-F510 AromaticContact CD2-CE2 3.66Å; H362-F510 AromaticContact CG-CD2 3.49Å; H362-F510 VanDerWaalsContact CG-CD2 3.49Å; H362-F510 AromaticContact CG-CE2 3.93Å; H362-F510 AromaticContact CG-CG 3.68Å; H362-F510 AromaticContact NE2-CD2 3.97Å
363Y91.6Very high95Very high41 Ų4161 Ų6116%0.16129%0.291CS..Hα-helixtrans-142.60.8-168.2-156.5-101.3000115.1H359 E365 H366 P381 M382 R413H359-Y363 CarbonylContact O-C 3.5Å; H359-Y363 WeakPolarHBondContact O-CA 3.37Å; H359-Y363 WeakPolarHBondContact O-CB 3.19Å; H359-Y363 PolarHBondContact O-N 3.35Å; Y363-E365 PolarHBondContact O-N 3.23Å; Y363-E365 VanDerWaalsContact O-N 3.11Å; Y363-H366 HydrophobicContact CD1-CB 4.03Å; Y363-H366 HydrophobicContact CD2-CB 4.5Å; Y363-H366 HydrophobicContact CE1-CB 3.56Å; Y363-H366 HydrophobicContact CE2-CB 4.09Å; Y363-H366 AromaticContact CE2-CD2 3.79Å; Y363-H366 HydrophobicContact CG-CB 4.46Å; Y363-H366 PolarHBondContact O-N 2.89Å; Y363-P381 HydrophobicContact CD1-CB 4.31Å; Y363-P381 HydrophobicContact CD1-CG 4.19Å; Y363-P381 HydrophobicContact CE1-CB 3.72Å; Y363-P381 HydrophobicContact CE1-CG 4.1Å; Y363-M382 HydrophobicContact CD1-CE 3.86Å; Y363-M382 HydrophobicContact CE1-CE 3.96Å; Y363-M382 HydrophobicContact CG-CE 4.35Å; Y363-R413 HydrophobicContact CE1-CG 4.44Å; Y363-R413 WeakPolarHBondContact OH-CD 3.33Å; Y363-R413 WeakPolarHBondContact OH-CG 3.28Å
364S92.9Very high94.9Very high24 Ų2470.9 Ų70.917%0.16833%0.333CS..G310 helixtrans-64.4-17.8-174.663.20000115.8H359 W360 H366 L367 K369H359-S364 PolarHBondContact O-N 2.85Å; W360-S364 WeakPolarHBondContact O-CB 3.19Å; W360-S364 PolarHBondContact O-N 2.92Å; W360-S364 PolarHBondContact O-OG 2.92Å; S364-H366 PolarHBondContact O-N 3.27Å; S364-L367 PolarHBondContact O-N 3.32Å; S364-K369 WeakPolarHBondContact O-CE 3.29Å; S364-K369 PolarHBondContact O-NZ 2.92Å
365E90.2Very high94.8Very high145 Ų14575.3 Ų75.368%0.67835%0.354SS*.G310 helixtrans-66.9-28.5173.2-61.5-178177.600112Y363Y363-E365 PolarHBondContact O-N 3.23Å; Y363-E365 VanDerWaalsContact O-N 3.11Å
366H92.5Very high94.9Very high42 Ų4273.3 Ų73.319%0.19435%0.348CS..G310 helixtrans-99.17.2180-60-55.4000113.4Y363 S364 N414 F416Y363-H366 HydrophobicContact CD1-CB 4.03Å; Y363-H366 HydrophobicContact CD2-CB 4.5Å; Y363-H366 HydrophobicContact CE1-CB 3.56Å; Y363-H366 HydrophobicContact CE2-CB 4.09Å; Y363-H366 AromaticContact CE2-CD2 3.79Å; Y363-H366 HydrophobicContact CG-CB 4.46Å; Y363-H366 PolarHBondContact O-N 2.89Å; S364-H366 PolarHBondContact O-N 3.27Å; H366-N414 WeakPolarHBondContact O-CB 3.26Å; H366-N414 PolarHBondContact O-N 3.34Å; H366-F416 AromaticContact CE1-CE2 3.64Å
367L94.6Very high94.9Very high5 Ų571.8 Ų71.83%0.02634%0.34CS..SBendtrans-89.8131.7174.9-86.3155.3000110.2W354 W360 S364 K369 P381W354-L367 HydrophobicContact CB-CD1 4.3Å; W354-L367 HydrophobicContact CD2-CD2 4.41Å; W354-L367 HydrophobicContact CG-CD1 4.1Å; W354-L367 HydrophobicContact CG-CD2 4.48Å; W360-L367 HydrophobicContact CE3-CD1 4.41Å; S364-L367 PolarHBondContact O-N 3.32Å; L367-K369 PolarHBondContact O-N 3.33Å; L367-P381 HydrophobicContact CD2-CG 3.68Å; L367-P381 HydrophobicContact CG-CG 4.29Å
368F96.2Very high94.8Very high59 Ų5971.9 Ų71.926%0.25934%0.341SS..PPolyproline II helixtrans-73.3116.5164-74.9-77.5000109G378 L379 H412 N414 R427F368-G378 CarbonylContact O-C 3.57Å; F368-G378 WeakPolarHBondContact O-CA 3.5Å; F368-L379 HydrophobicContact CB-CB 4.22Å; F368-L379 HydrophobicContact CB-CD1 3.91Å; F368-L379 HydrophobicContact CB-CG 4.32Å; F368-L379 HydrophobicContact CD2-CD1 4.22Å; F368-L379 HydrophobicContact CG-CD1 4.2Å; F368-L379 PolarHBondContact O-N 3.25Å; F368-L379 VanDerWaalsContact O-N 3.11Å; F368-H412 HydrophobicContact CD2-CB 3.78Å; F368-H412 HydrophobicContact CE2-CB 4.02Å; F368-N414 HydrophobicContact CD1-CB 4.16Å; F368-N414 HydrophobicContact CD2-CB 4.11Å; F368-N414 HydrophobicContact CE1-CB 4.19Å; F368-N414 HydrophobicContact CE2-CB 4.16Å; F368-N414 HydrophobicContact CG-CB 4.16Å; F368-N414 HydrophobicContact CZ-CB 4.24Å; F368-R427 HydrophobicContact CE2-CB 4.21Å; F368-R427 HydrophobicContact CZ-CB 4.08Å; F368-R427 HydrophobicContact CZ-CG 4.4Å
369K96Very high94.9Very high106 Ų10673.5 Ų73.546%0.46135%0.349SS..EExtended strand (participates in β ladder)trans-100141-176.9-60.2172.7-169.9175.70110.4W360 S364 L367 T376 F377W360-K369 HydrophobicContact CH2-CD 4.2Å; S364-K369 WeakPolarHBondContact O-CE 3.29Å; S364-K369 PolarHBondContact O-NZ 2.92Å; L367-K369 PolarHBondContact O-N 3.33Å; K369-T376 HydrophobicContact CB-CG2 4.18Å; K369-T376 HydrophobicContact CG-CG2 4.38Å; K369-F377 CarbonylContact C-O 3.5Å; K369-F377 WeakPolarHBondContact CA-O 3.38Å
370I96.3Very high95Very high64 Ų6473.6 Ų73.633%0.32835%0.35SS..EExtended strand (participates in β ladder)trans-133.6123.9-179.8-51171.9000107.3I348 V372 F377 L379I348-I370 HydrophobicContact CD1-CD1 4.28Å; I370-V372 HydrophobicContact CG2-CG2 3.85Å; I370-F377 PolarHBondContact N-O 3.29Å; I370-F377 PolarHBondContact O-N 3.42Å; I370-L379 HydrophobicContact CD1-CG 4.45Å
371D97.2Very high95.1Very high133 Ų13370.6 Ų70.671%0.71134%0.338SS*.EExtended strand (participates in β ladder)trans-86.4118.1174.6-64.6-41.7000109.9T376D371-T376 PolarHBondContact OD1-OG1 3.17Å
372V95.9Very high95.2Very high59 Ų5966.3 Ų66.336%0.35832%0.319SS..EExtended strand (participates in β ladder)trans-128.8118.7179.3-176.20000107.8I370 K374 Q375 F377I370-V372 HydrophobicContact CG2-CG2 3.85Å; V372-K374 VanDerWaalsContact C-N 3.28Å; V372-K374 PolarHBondContact O-N 2.94Å; V372-Q375 PolarHBondContact N-O 3.47Å; V372-Q375 PolarHBondContact O-N 3.11Å; V372-Q375 VanDerWaalsContact O-O 3.08Å; V372-F377 HydrophobicContact CB-CD2 3.72Å; V372-F377 HydrophobicContact CB-CE2 3.92Å; V372-F377 HydrophobicContact CG1-CE2 4.47Å; V372-F377 HydrophobicContact CG2-CD2 4.02Å; V372-F377 HydrophobicContact CG2-CG 4.43Å
373E94.8Very high95.5Very high178 Ų17862.9 Ų62.983%0.83230%0.303SS*.THydrogen-bonded Turntrans51.742.7175-60.1-178.7-179.100114.2Q375E373-Q375 PolarHBondContact O-N 2.84Å
374K94.5Very high95.7Very high220 Ų22061 Ų6196%0.95730%0.296SS*.THydrogen-bonded Turntrans65.913.4-177.3-49174.3179.1176.10114.8V372V372-K374 VanDerWaalsContact C-N 3.28Å; V372-K374 PolarHBondContact O-N 2.94Å
375Q97Very high96Very high93 Ų9359.9 Ų59.944%0.43529%0.288SS..EExtended strand (participates in β ladder)trans-113.1147.8170.4-60.4-179.323.200109.7N350 V372 E373 F377N350-Q375 PolarHBondContact ND2-OE1 3.25Å; V372-Q375 PolarHBondContact N-O 3.47Å; V372-Q375 PolarHBondContact O-N 3.11Å; V372-Q375 VanDerWaalsContact O-O 3.08Å; E373-Q375 PolarHBondContact O-N 2.84Å; Q375-F377 HydrophobicContact CB-CD2 4.31Å; Q375-F377 HydrophobicContact CB-CE2 3.85Å
376T97.6Very high96.3Very high43 Ų4353.1 Ų53.126%0.26426%0.257SS..EExtended strand (participates in β ladder)trans-91.8121.9175.6-57.40000109.8S351 W360 K369 D371S351-T376 WeakPolarHBondContact CB-O 3.33Å; S351-T376 PolarHBondContact N-O 3.32Å; S351-T376 PolarHBondContact OG-O 2.8Å; W360-T376 HydrophobicContact CH2-CG2 3.98Å; W360-T376 HydrophobicContact CZ3-CG2 4.46Å; K369-T376 HydrophobicContact CB-CG2 4.18Å; K369-T376 HydrophobicContact CG-CG2 4.38Å; D371-T376 PolarHBondContact OD1-OG1 3.17Å
377F97.7Very high96.6Very high50 Ų5051.1 Ų51.122%0.21925%0.248CC..EExtended strand (participates in β ladder)trans-107.2170.1170.1-73.9-104.5000109.9I348 Y349 N350 K369 I370 V372 Q375I348-F377 HydrophobicContact CG2-CB 3.89Å; I348-F377 HydrophobicContact CG2-CD1 3.95Å; I348-F377 HydrophobicContact CG2-CG 4.33Å; Y349-F377 VanDerWaalsContact C-CD1 3.41Å; Y349-F377 CarbonylContact O-C 3.48Å; Y349-F377 WeakPolarHBondContact O-CA 3.05Å; Y349-F377 WeakPolarHBondContact O-CB 3.4Å; Y349-F377 WeakPolarHBondContact O-CD1 3.27Å; N350-F377 HydrophobicContact CB-CD1 4.16Å; N350-F377 HydrophobicContact CB-CE1 3.85Å; N350-F377 HydrophobicContact CB-CZ 4.2Å; K369-F377 CarbonylContact C-O 3.5Å; K369-F377 WeakPolarHBondContact CA-O 3.38Å; I370-F377 PolarHBondContact N-O 3.29Å; I370-F377 PolarHBondContact O-N 3.42Å; V372-F377 HydrophobicContact CB-CD2 3.72Å; V372-F377 HydrophobicContact CB-CE2 3.92Å; V372-F377 HydrophobicContact CG1-CE2 4.47Å; V372-F377 HydrophobicContact CG2-CD2 4.02Å; V372-F377 HydrophobicContact CG2-CG 4.43Å; Q375-F377 HydrophobicContact CB-CD2 4.31Å; Q375-F377 HydrophobicContact CB-CE2 3.85Å
378G96.2Very high96.8Very high2 Ų250.9 Ų50.92%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-155.2157.916900000113.9I348 Y349 F368I348-G378 WeakPolarHBondContact CA-O 3.39Å; Y349-G378 PolarHBondContact N-O 3.17Å; Y349-G378 PolarHBondContact O-N 2.95Å; F368-G378 CarbonylContact O-C 3.57Å; F368-G378 WeakPolarHBondContact O-CA 3.5Å
379L97.4Very high96.9Very high35 Ų3551.8 Ų51.818%0.18325%0.254CS..EExtended strand (participates in β ladder)trans-69.9140.3171.5-67.3166.4000109.8N347 I348 F368 I370 P381 H412N347-L379 CarbonylContact O-C 3.59Å; N347-L379 VanDerWaalsContact O-CA 3.3Å; N347-L379 WeakPolarHBondContact O-CA 3.34Å; I348-L379 HydrophobicContact CD1-CD2 4.37Å; I348-L379 HydrophobicContact CG1-CD2 3.69Å; F368-L379 HydrophobicContact CB-CB 4.22Å; F368-L379 HydrophobicContact CB-CD1 3.91Å; F368-L379 HydrophobicContact CB-CG 4.32Å; F368-L379 HydrophobicContact CD2-CD1 4.22Å; F368-L379 HydrophobicContact CG-CD1 4.2Å; F368-L379 PolarHBondContact O-N 3.25Å; F368-L379 VanDerWaalsContact O-N 3.11Å; I370-L379 HydrophobicContact CD1-CG 4.45Å; L379-P381 WeakPolarHBondContact O-CD 3.34Å; L379-H412 HydrophobicContact CB-CB 3.76Å; L379-H412 HydrophobicContact CD1-CB 3.97Å; L379-H412 HydrophobicContact CG-CB 4.46Å
380K97.2Very high97Very high1 Ų149.9 Ų49.90%0.00425%0.247CC..  trans-65.2125.7179.862.7168.4173.2177.60112.1T345 P346 N347 Y349 W354 N383 D407 V410 L411 H412T345-K380 PolarHBondContact O-NZ 3.21Å; T345-K380 PolarHBondContact OG1-NZ 2.95Å; P346-K380 VanDerWaalsContact O-CD 3.24Å; P346-K380 WeakPolarHBondContact O-CD 3.05Å; P346-K380 VanDerWaalsContact O-CE 3.29Å; P346-K380 WeakPolarHBondContact O-CE 3.42Å; N347-K380 PolarHBondContact O-N 3.11Å; N347-K380 VanDerWaalsContact OD1-CE 3.29Å; N347-K380 WeakPolarHBondContact OD1-CE 3.4Å; Y349-K380 HydrophobicContact CD2-CB 4.12Å; Y349-K380 HydrophobicContact CE2-CB 3.99Å; Y349-K380 HydrophobicContact CE2-CD 4.28Å; W354-K380 HydrophobicContact CH2-CB 3.82Å; W354-K380 HydrophobicContact CZ2-CB 4.19Å; K380-N383 WeakPolarHBondContact CD-OD1 3.24Å; K380-N383 WeakPolarHBondContact CE-OD1 3.4Å; K380-N383 PolarHBondContact NZ-OD1 3.29Å; K380-D407 IonicContact NZ-OD2 3.25Å; K380-V410 WeakPolarHBondContact CE-O 3.35Å; K380-L411 HydrophobicContact CD-CD2 3.79Å; K380-L411 HydrophobicContact CG-CD2 3.87Å; K380-H412 PolarHBondContact O-N 3.21Å
381P96.5Very high97.1Very high0 Ų046.9 Ų46.90%023%0.232CC..SBendtrans-90.2-9.1173.734.2-34.1000113.8Y363 L367 L379 H412 R413Y363-P381 HydrophobicContact CD1-CB 4.31Å; Y363-P381 HydrophobicContact CD1-CG 4.19Å; Y363-P381 HydrophobicContact CE1-CB 3.72Å; Y363-P381 HydrophobicContact CE1-CG 4.1Å; L367-P381 HydrophobicContact CD2-CG 3.68Å; L367-P381 HydrophobicContact CG-CG 4.29Å; L379-P381 WeakPolarHBondContact O-CD 3.34Å; P381-H412 WeakPolarHBondContact CA-O 3.03Å; P381-H412 WeakPolarHBondContact CB-O 3.31Å; P381-R413 HydrophobicContact CB-CG 3.87Å; P381-R413 PolarHBondContact O-NE 2.76Å; P381-R413 PolarHBondContact O-NH2 2.88Å
382M95.5Very high97.1Very high20 Ų2043.3 Ų43.310%0.09922%0.221CC..  trans-164.7160.2-178.158.6-155.590.600110.3H359 Y363H359-M382 VanDerWaalsContact CD2-CE 3.4Å; H359-M382 WeakPolarHBondContact CD2-CE 3.49Å; H359-M382 PolarHBondContact CD2-SD 3.29Å; H359-M382 PolarHBondContact NE2-SD 3.46Å; Y363-M382 HydrophobicContact CD1-CE 3.86Å; Y363-M382 HydrophobicContact CE1-CE 3.96Å; Y363-M382 HydrophobicContact CG-CE 4.35Å
383N97.1Very high97.2Very high1 Ų148.3 Ų48.31%0.00524%0.238CC..SBendtrans-91.6-14.8-178.3-59.1-62.5000114.2T345 K380 G386 H387 D407 D433T345-N383 PolarHBondContact OG1-OD1 2.86Å; K380-N383 WeakPolarHBondContact CD-OD1 3.24Å; K380-N383 WeakPolarHBondContact CE-OD1 3.4Å; K380-N383 PolarHBondContact NZ-OD1 3.29Å; N383-G386 PolarHBondContact O-N 2.81Å; N383-H387 PolarHBondContact O-N 3.11Å; N383-H387 VanDerWaalsContact O-N 3.08Å; N383-D407 HydrophobicContact CB-CB 4.29Å; N383-D407 PolarHBondContact OD1-OD2 3.2Å; N383-D433 VanDerWaalsContact CB-OD2 3.25Å; N383-D433 WeakPolarHBondContact CB-OD2 3.28Å; N383-D433 PolarHBondContact N-OD2 2.8Å; N383-D433 WeakPolarHBondContact ND2-CB 3.25Å; N383-D433 PolarHBondContact ND2-OD2 2.85Å
384C96.9Very high97.1Very high2 Ų245.5 Ų45.51%0.01422%0.224CC..Hα-helixtrans-49.9-45-17168.50000115.3G386 H387 C388 H435 L538C384-G386 PolarHBondContact O-N 3.24Å; C384-H387 PolarHBondContact O-N 3.46Å; C384-C388 PolarHBondContact O-N 3.5Å; C384-C388 VanDerWaalsContact O-N 3.13Å; C384-C388 PolarHBondContact O-SG 3.24Å; C384-H435 VanDerWaalsContact CA-NE2 3.28Å; C384-H435 WeakPolarHBondContact CA-NE2 3.44Å; C384-H435 WeakPolarHBondContact CB-NE2 3.29Å; C384-L538 HydrophobicContact CB-CD1 3.96Å
385P98Very high97Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-74.7-31.1-176.4-21.542000111.3L353 W354 C388 L389 F542L353-P385 HydrophobicContact CD1-CB 3.89Å; L353-P385 HydrophobicContact CD2-CB 4.06Å; L353-P385 HydrophobicContact CG-CB 3.85Å; W354-P385 HydrophobicContact CE3-CB 4.45Å; W354-P385 HydrophobicContact CE3-CG 4.11Å; W354-P385 HydrophobicContact CZ3-CB 4.06Å; W354-P385 HydrophobicContact CZ3-CG 3.71Å; P385-C388 WeakPolarHBondContact O-CB 3.22Å; P385-C388 PolarHBondContact O-N 2.9Å; P385-L389 PolarHBondContact O-N 2.97Å; P385-F542 HydrophobicContact CB-CE2 4.3Å; P385-F542 HydrophobicContact CB-CZ 3.84Å
386G97.8Very high97Very high3 Ų339.7 Ų39.73%0.03120%0.203CC..Hα-helixtrans-63.7-40.7172.600000112.1N383 C384 C388 L389 M390N383-G386 PolarHBondContact O-N 2.81Å; C384-G386 PolarHBondContact O-N 3.24Å; G386-C388 VanDerWaalsContact C-N 3.32Å; G386-C388 PolarHBondContact O-N 3.07Å; G386-L389 WeakPolarHBondContact O-CB 3.44Å; G386-L389 PolarHBondContact O-N 2.84Å; G386-M390 WeakPolarHBondContact O-CG 3.47Å; G386-M390 PolarHBondContact O-N 2.61Å; G386-M390 VanDerWaalsContact O-N 3.1Å
387H98.4Very high96.9Very high0 Ų039.2 Ų39.20%020%0.201CC..Hα-helixtrans-65.9-33.8174.3-66.2168.4000112.9V343 N383 C384 L389 M390 Y391 F405 D407 H435 F437V343-H387 WeakPolarHBondContact CG2-NE2 3.42Å; N383-H387 PolarHBondContact O-N 3.11Å; N383-H387 VanDerWaalsContact O-N 3.08Å; C384-H387 PolarHBondContact O-N 3.46Å; H387-L389 VanDerWaalsContact C-N 3.34Å; H387-M390 PolarHBondContact O-N 2.93Å; H387-Y391 PolarHBondContact O-N 2.97Å; H387-F405 HydrophobicContact CB-CD2 4.28Å; H387-D407 VanDerWaalsContact NE2-CB 3.29Å; H387-D407 WeakPolarHBondContact NE2-CB 3.48Å; H387-D407 IonicContact NE2-OD2 2.7Å; H387-H435 HydrophobicContact CB-CB 4.49Å; H387-H435 AromaticContact CE1-ND1 3.36Å; H387-H435 PolarHBondContact CE1-ND1 3Å; H387-H435 AromaticContact ND1-CE1 3.66Å; H387-H435 AromaticContact ND1-CG 3.22Å; H387-H435 AromaticContact ND1-ND1 2.88Å; H387-H435 PolarHBondContact ND1-ND1 3.32Å; H387-F437 HydrophobicContact CB-CE2 4.24Å; H387-F437 HydrophobicContact CB-CZ 3.98Å
388C98.7Very high96.7Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-62.4-42.1173.4-63.80000111.5C384 P385 G386 M390 Y391 A392 F542 L544C384-C388 PolarHBondContact O-N 3.5Å; C384-C388 VanDerWaalsContact O-N 3.13Å; C384-C388 PolarHBondContact O-SG 3.24Å; P385-C388 WeakPolarHBondContact O-CB 3.22Å; P385-C388 PolarHBondContact O-N 2.9Å; G386-C388 VanDerWaalsContact C-N 3.32Å; G386-C388 PolarHBondContact O-N 3.07Å; C388-M390 VanDerWaalsContact C-N 3.33Å; C388-M390 PolarHBondContact O-N 2.95Å; C388-Y391 PolarHBondContact O-N 3.49Å; C388-A392 WeakPolarHBondContact O-CB 3.22Å; C388-A392 PolarHBondContact O-N 2.87Å; C388-F542 HydrophobicContact CB-CB 4.02Å; C388-F542 HydrophobicContact CB-CD1 3.71Å; C388-F542 HydrophobicContact CB-CD2 3.62Å; C388-F542 HydrophobicContact CB-CE1 4.06Å; C388-F542 HydrophobicContact CB-CE2 3.96Å; C388-F542 HydrophobicContact CB-CG 3.49Å; C388-F542 VanDerWaalsContact CB-CG 3.49Å; C388-F542 HydrophobicContact CB-CZ 4.19Å; C388-L544 HydrophobicContact CB-CD1 4.21Å; C388-L544 HydrophobicContact CB-CD2 4.39Å
389L98.5Very high96.6Very high77 Ų7745.3 Ų45.340%0.40323%0.227SC..Hα-helixtrans-61.4-40.9173.8-63179.5000112.1Y349 L353 P385 G386 H387 A392 K393 F542Y349-L389 HydrophobicContact CE1-CD1 4.41Å; L353-L389 HydrophobicContact CD1-CD1 3.83Å; L353-L389 HydrophobicContact CD1-CD2 4.15Å; L353-L389 HydrophobicContact CD1-CG 3.97Å; L353-L389 HydrophobicContact CD2-CD1 4.32Å; P385-L389 PolarHBondContact O-N 2.97Å; G386-L389 WeakPolarHBondContact O-CB 3.44Å; G386-L389 PolarHBondContact O-N 2.84Å; H387-L389 VanDerWaalsContact C-N 3.34Å; L389-A392 PolarHBondContact O-N 2.84Å; L389-K393 PolarHBondContact O-N 2.93Å; L389-K393 VanDerWaalsContact O-N 3.1Å; L389-F542 HydrophobicContact CD2-CD1 4.21Å; L389-F542 HydrophobicContact CD2-CE1 3.92Å; L389-F542 HydrophobicContact CG-CE1 4.35Å
390M98.1Very high96.5Very high66 Ų6647.8 Ų47.833%0.32524%0.238SC..Hα-helixtrans-66.4-40.2176.5-66.8-17570.800112.3V343 T345 G386 H387 C388 K393 R396 F405V343-M390 HydrophobicContact CB-CE 3.74Å; V343-M390 HydrophobicContact CB-SD 4Å; V343-M390 HydrophobicContact CG1-CE 3.61Å; V343-M390 HydrophobicContact CG1-SD 4.32Å; V343-M390 HydrophobicContact CG2-CE 4.47Å; V343-M390 HydrophobicContact CG2-SD 4.13Å; T345-M390 HydrophobicContact CG2-SD 3.75Å; G386-M390 WeakPolarHBondContact O-CG 3.47Å; G386-M390 PolarHBondContact O-N 2.61Å; G386-M390 VanDerWaalsContact O-N 3.1Å; H387-M390 PolarHBondContact O-N 2.93Å; C388-M390 VanDerWaalsContact C-N 3.33Å; C388-M390 PolarHBondContact O-N 2.95Å; M390-K393 PolarHBondContact O-N 3.43Å; M390-R396 PolarHBondContact O-NH2 2.88Å; M390-F405 HydrophobicContact CB-CE2 4.04Å
391Y98.4Very high96.5Very high1 Ų148.2 Ų48.20%0.00424%0.24CC..Hα-helixtrans-60.8-51.1174.2-173.4-82.3000110.4H387 C388 K393 R396 L401 L403 F437 L544 P588H387-Y391 PolarHBondContact O-N 2.97Å; C388-Y391 PolarHBondContact O-N 3.49Å; Y391-K393 PolarHBondContact O-N 3.33Å; Y391-R396 HydrophobicContact CD1-CG 4.02Å; Y391-R396 HydrophobicContact CD2-CG 4.4Å; Y391-R396 HydrophobicContact CE1-CB 4.18Å; Y391-R396 HydrophobicContact CE1-CG 3.57Å; Y391-R396 HydrophobicContact CE2-CG 3.97Å; Y391-R396 HydrophobicContact CG-CG 4.43Å; Y391-R396 PolarHBondContact O-NE 3.05Å; Y391-R396 PolarHBondContact O-NH2 2.97Å; Y391-L401 HydrophobicContact CE2-CD2 4.06Å; Y391-L403 HydrophobicContact CD2-CD2 3.96Å; Y391-L403 HydrophobicContact CE2-CD2 4.27Å; Y391-F437 HydrophobicContact CD2-CB 3.74Å; Y391-F437 AromaticContact CD2-CD1 3.37Å; Y391-F437 HydrophobicContact CD2-CD1 3.37Å; Y391-F437 AromaticContact CD2-CD2 3.83Å; Y391-F437 HydrophobicContact CD2-CD2 3.83Å; Y391-F437 AromaticContact CD2-CE1 3.88Å; Y391-F437 HydrophobicContact CD2-CE1 3.88Å; Y391-F437 HydrophobicContact CD2-CE2 4.29Å; Y391-F437 AromaticContact CD2-CG 3.35Å; Y391-F437 HydrophobicContact CD2-CG 3.35Å; Y391-F437 HydrophobicContact CD2-CZ 4.31Å; Y391-F437 HydrophobicContact CE2-CB 3.5Å; Y391-F437 AromaticContact CE2-CD1 3.81Å; Y391-F437 HydrophobicContact CE2-CD1 3.81Å; Y391-F437 HydrophobicContact CE2-CD2 4.46Å; Y391-F437 AromaticContact CE2-CG 3.68Å; Y391-F437 HydrophobicContact CE2-CG 3.68Å; Y391-F437 AromaticContact CG-CD1 3.83Å; Y391-F437 HydrophobicContact CG-CD1 3.83Å; Y391-F437 AromaticContact CG-CE1 3.94Å; Y391-F437 HydrophobicContact CG-CE1 3.94Å; Y391-F437 HydrophobicContact CG-CG 4.24Å; Y391-F437 HydrophobicContact CG-CZ 4.43Å; Y391-L544 HydrophobicContact CD1-CB 3.93Å; Y391-L544 HydrophobicContact CD1-CD1 4.16Å; Y391-L544 HydrophobicContact CD1-CD2 3.93Å; Y391-L544 HydrophobicContact CD1-CG 4.22Å; Y391-L544 HydrophobicContact CE1-CB 3.96Å; Y391-L544 HydrophobicContact CG-CD1 4.4Å; Y391-P588 HydrophobicContact CE1-CG 3.97Å; Y391-P588 HydrophobicContact CE2-CG 4.42Å
392A97.4Very high96.6Very high58 Ų5849.6 Ų49.648%0.47925%0.249SC..Hα-helixtrans-66-16.2-177.600000114.4C388 L389 E394 L544C388-A392 WeakPolarHBondContact O-CB 3.22Å; C388-A392 PolarHBondContact O-N 2.87Å; L389-A392 PolarHBondContact O-N 2.84Å; A392-E394 VanDerWaalsContact C-N 3.31Å; A392-E394 PolarHBondContact O-N 3.06Å; A392-L544 HydrophobicContact CB-CD2 3.81Å
393K96.9Very high96.7Very high165 Ų16549.3 Ų49.372%0.71725%0.248SC*.THydrogen-bonded Turntrans-67.8-29.8-178178.157.5-1711690113.5L389 M390 Y391L389-K393 PolarHBondContact O-N 2.93Å; L389-K393 VanDerWaalsContact O-N 3.1Å; M390-K393 PolarHBondContact O-N 3.43Å; Y391-K393 PolarHBondContact O-N 3.33Å
394E93.5Very high96.8Very high118 Ų11851.7 Ų51.755%0.55126%0.257SS*.SBendtrans-114.7154.3-178.7-60.3-65.7155.800110.4A392 R396A392-E394 VanDerWaalsContact C-N 3.31Å; A392-E394 PolarHBondContact O-N 3.06Å; E394-R396 PolarHBondContact O-N 2.87Å
395I93.4Very high96.9Very high160 Ų16052.1 Ų52.182%0.82126%0.259SS*.  trans-73.3124.1167.8-61.3172000107.6
396R95.8Very high96.9Very high31 Ų3152.1 Ų52.112%0.11726%0.259CS..EExtended strand (participates in β ladder)trans-101.1142.5-175-55.9-59.1-175.9178.2-5.6111.8M390 Y391 E394 E400 Y546 A547M390-R396 PolarHBondContact O-NH2 2.88Å; Y391-R396 HydrophobicContact CD1-CG 4.02Å; Y391-R396 HydrophobicContact CD2-CG 4.4Å; Y391-R396 HydrophobicContact CE1-CB 4.18Å; Y391-R396 HydrophobicContact CE1-CG 3.57Å; Y391-R396 HydrophobicContact CE2-CG 3.97Å; Y391-R396 HydrophobicContact CG-CG 4.43Å; Y391-R396 PolarHBondContact O-NE 3.05Å; Y391-R396 PolarHBondContact O-NH2 2.97Å; E394-R396 PolarHBondContact O-N 2.87Å; R396-E400 WeakPolarHBondContact CD-OE2 3.35Å; R396-E400 IonicContact NH1-OE2 3.04Å; R396-E400 PolarHBondContact NH1-OE2 2.86Å; R396-Y546 CarbonylContact O-C 3.55Å; R396-Y546 WeakPolarHBondContact O-CA 3.13Å; R396-A547 PolarHBondContact O-N 3.32Å
397S95.2Very high96.9Very high33 Ų3352.1 Ų52.123%0.23126%0.258CS..EExtended strand (participates in β ladder)trans-108.2147.1170.8178.40000110.7K399 E400S397-K399 PolarHBondContact O-N 2.99Å; S397-K399 PolarHBondContact OG-N 3.26Å; S397-E400 WeakPolarHBondContact O-CB 3.37Å; S397-E400 PolarHBondContact O-N 2.63Å
398H94.3Very high96.8Very high32 Ų3253.2 Ų53.215%0.14826%0.263CS..G310 helixtrans-54.7-22.3171.771.6-76.9000113.3E400 L401 R439 Y546 A547 E549H398-E400 VanDerWaalsContact C-N 3.3Å; H398-L401 PolarHBondContact O-N 2.98Å; H398-R439 PolarHBondContact O-NH1 3.01Å; H398-R439 VanDerWaalsContact O-NH1 3.12Å; H398-Y546 HydrophobicContact CB-CD2 3.65Å; H398-Y546 HydrophobicContact CB-CE2 3.75Å; H398-A547 PolarHBondContact N-O 2.65Å; H398-A547 PolarHBondContact ND1-O 2.84Å; H398-E549 WeakPolarHBondContact CE1-CG 3.24Å; H398-E549 VanDerWaalsContact NE2-CG 3.33Å; H398-E549 WeakPolarHBondContact NE2-CG 3.03Å; H398-E549 IonicContact NE2-OE1 2.68Å
399K94.7Very high96.6Very high148 Ų14854 Ų5464%0.64327%0.271SS*.G310 helixtrans-70.9-22.3177.2-62-175.3175.7174.90113.5S397 L401 E549S397-K399 PolarHBondContact O-N 2.99Å; S397-K399 PolarHBondContact OG-N 3.26Å; K399-L401 VanDerWaalsContact C-N 3.3Å; K399-E549 WeakPolarHBondContact CE-OE1 3.3Å; K399-E549 IonicContact NZ-OE1 3.92Å; K399-E549 PolarHBondContact NZ-OE1 2.98Å; K399-E549 VanDerWaalsContact NZ-OE1 3.08Å
400E95Very high96.5Very high87 Ų8751.6 Ų51.641%0.40726%0.26SS..G310 helixtrans-81.9-13175.8-65.6172.3-152.100112.2R396 S397 H398 P402 L403R396-E400 WeakPolarHBondContact CD-OE2 3.35Å; R396-E400 IonicContact NH1-OE2 3.04Å; R396-E400 PolarHBondContact NH1-OE2 2.86Å; S397-E400 WeakPolarHBondContact O-CB 3.37Å; S397-E400 PolarHBondContact O-N 2.63Å; H398-E400 VanDerWaalsContact C-N 3.3Å; E400-P402 CarbonylContact O-C 3.43Å; E400-L403 PolarHBondContact O-N 2.69Å
401L97.4Very high96.5Very high10 Ų1048.5 Ų48.55%0.05224%0.244CC..PPolyproline II helixtrans-92.7134.4-175.2-54.1-176.3000111.1Y391 H398 K399 L403 F437 R439 Q442 Y546Y391-L401 HydrophobicContact CE2-CD2 4.06Å; H398-L401 PolarHBondContact O-N 2.98Å; K399-L401 VanDerWaalsContact C-N 3.3Å; L401-L403 HydrophobicContact CD2-CB 4.03Å; L401-F437 HydrophobicContact CD2-CB 4.33Å; L401-F437 WeakPolarHBondContact CD2-O 3.42Å; L401-R439 HydrophobicContact CB-CG 4.27Å; L401-R439 HydrophobicContact CD1-CG 3.83Å; L401-Q442 PolarHBondContact O-NE2 3.34Å; L401-Y546 HydrophobicContact CD1-CD1 3.49Å; L401-Y546 VanDerWaalsContact CD1-CD1 3.49Å; L401-Y546 HydrophobicContact CD1-CD2 4.19Å; L401-Y546 HydrophobicContact CD1-CE1 3.74Å; L401-Y546 HydrophobicContact CD1-CE2 4.41Å; L401-Y546 HydrophobicContact CD1-CG 3.73Å
402P98.1Very high96.5Very high29 Ų2950.1 Ų50.119%0.18825%0.252CS..SBendcis-82.4128.69.831.5-34.6000113.8E400 R404 I436 F437 C438 E446E400-P402 CarbonylContact O-C 3.43Å; P402-R404 VanDerWaalsContact CG-CZ 3.42Å; P402-R404 PolarHBondContact O-NH1 3.03Å; P402-I436 HydrophobicContact CB-CG2 3.81Å; P402-F437 CarbonylContact C-O 3.5Å; P402-F437 VanDerWaalsContact CA-O 3.3Å; P402-F437 WeakPolarHBondContact CA-O 3.44Å; P402-C438 HydrophobicContact CB-CB 3.95Å; P402-E446 HydrophobicContact CB-CG 4.42Å
403L98.2Very high96.4Very high15 Ų1550.4 Ų50.48%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-92.8121.8174.7178.865.4000109.3Y391 E400 L401 F405 I436 F437Y391-L403 HydrophobicContact CD2-CD2 3.96Å; Y391-L403 HydrophobicContact CE2-CD2 4.27Å; E400-L403 PolarHBondContact O-N 2.69Å; L401-L403 HydrophobicContact CD2-CB 4.03Å; L403-F405 HydrophobicContact CD1-CE1 3.92Å; L403-F405 HydrophobicContact CD1-CZ 4.32Å; L403-F405 HydrophobicContact CD2-CE1 4.08Å; L403-F405 HydrophobicContact CD2-CE2 4.14Å; L403-F405 HydrophobicContact CD2-CZ 3.62Å; L403-F405 HydrophobicContact CG-CE1 3.98Å; L403-F405 HydrophobicContact CG-CZ 4.03Å; L403-I436 CarbonylContact O-C 3.59Å; L403-I436 WeakPolarHBondContact O-CA 3.28Å; L403-F437 HydrophobicContact CB-CB 4.35Å; L403-F437 PolarHBondContact N-O 3.08Å; L403-F437 PolarHBondContact O-N 3.03Å
404R98.5Very high96.3Very high50 Ų5045.2 Ų45.219%0.18922%0.221CC..EExtended strand (participates in β ladder)trans-117.5108-170.2-61.3-170.6-172.384.3-9.5111.4F340 Q341 P402 I436 E446F340-R404 HydrophobicContact CB-CB 4.36Å; F340-R404 HydrophobicContact CD1-CB 3.61Å; F340-R404 HydrophobicContact CD1-CG 4.48Å; F340-R404 HydrophobicContact CD2-CB 4.48Å; F340-R404 HydrophobicContact CE1-CB 3.95Å; F340-R404 HydrophobicContact CE1-CG 4.39Å; F340-R404 HydrophobicContact CG-CB 3.89Å; Q341-R404 PolarHBondContact N-O 2.87Å; P402-R404 VanDerWaalsContact CG-CZ 3.42Å; P402-R404 PolarHBondContact O-NH1 3.03Å; R404-I436 HydrophobicContact CG-CB 4.43Å; R404-I436 HydrophobicContact CG-CG1 4.07Å; R404-I436 HydrophobicContact CG-CG2 3.96Å; R404-E446 IonicContact CZ-OE1 3.01Å; R404-E446 IonicContact CZ-OE2 2.8Å; R404-E446 IonicContact NE-OE1 3.73Å; R404-E446 IonicContact NE-OE2 3.92Å; R404-E446 PolarHBondContact NE-OE2 2.95Å; R404-E446 IonicContact NH2-OE1 2.71Å; R404-E446 PolarHBondContact NH2-OE1 3.34Å; R404-E446 IonicContact NH2-OE2 3.35Å; R404-E446 PolarHBondContact NH2-OE2 3.43Å
405F98.5Very high96.2Very high12 Ų1240.3 Ų40.35%0.05320%0.198CC..EExtended strand (participates in β ladder)trans-99.3136.5173.1-65.8-29.5000111.1Q341 V343 H387 M390 L403 A434 H435 F437Q341-F405 WeakPolarHBondContact O-CA 3.37Å; V343-F405 HydrophobicContact CG1-CB 4.33Å; V343-F405 HydrophobicContact CG1-CD1 3.63Å; V343-F405 HydrophobicContact CG1-CE1 4.04Å; V343-F405 HydrophobicContact CG1-CG 3.97Å; V343-F405 HydrophobicContact CG2-CB 3.99Å; V343-F405 HydrophobicContact CG2-CG 4.33Å; H387-F405 HydrophobicContact CB-CD2 4.28Å; M390-F405 HydrophobicContact CB-CE2 4.04Å; L403-F405 HydrophobicContact CD1-CE1 3.92Å; L403-F405 HydrophobicContact CD1-CZ 4.32Å; L403-F405 HydrophobicContact CD2-CE1 4.08Å; L403-F405 HydrophobicContact CD2-CE2 4.14Å; L403-F405 HydrophobicContact CD2-CZ 3.62Å; L403-F405 HydrophobicContact CG-CE1 3.98Å; L403-F405 HydrophobicContact CG-CZ 4.03Å; F405-A434 CarbonylContact O-C 3.51Å; F405-A434 WeakPolarHBondContact O-CA 3.18Å; F405-A434 VanDerWaalsContact O-CB 3.25Å; F405-A434 WeakPolarHBondContact O-CB 3.21Å; F405-H435 PolarHBondContact N-O 2.94Å; F405-H435 PolarHBondContact O-N 2.99Å; F405-F437 HydrophobicContact CD2-CD2 4.41Å; F405-F437 AromaticContact CD2-CE2 3.74Å; F405-F437 HydrophobicContact CD2-CE2 3.74Å; F405-F437 HydrophobicContact CE2-CE2 4.07Å
406A98.3Very high95.7Very high0 Ų038.4 Ų38.40%018%0.184CC..EExtended strand (participates in β ladder)trans-119.6130.2167.800000109.5Y335 F340 Q341 E342 V343 F408 A434Y335-A406 HydrophobicContact CD1-CB 3.83Å; Y335-A406 HydrophobicContact CE1-CB 4.33Å; Y335-A406 HydrophobicContact CG-CB 4.44Å; F340-A406 HydrophobicContact CB-CB 4.09Å; F340-A406 HydrophobicContact CD1-CB 4.29Å; Q341-A406 PolarHBondContact O-N 2.68Å; E342-A406 CarbonylContact C-O 3.56Å; E342-A406 VanDerWaalsContact CA-O 3.29Å; E342-A406 WeakPolarHBondContact CA-O 3.23Å; V343-A406 PolarHBondContact N-O 3.5Å; A406-F408 HydrophobicContact CB-CE2 3.82Å; A406-F408 HydrophobicContact CB-CZ 4.22Å; A406-A434 HydrophobicContact CB-CB 4.24Å
407D97.9Very high95Very high3 Ų341 Ų412%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-129113179.3-171.8-23.4000109.3V343 T345 K380 N383 H387 G409 D433V343-D407 HydrophobicContact CG2-CB 4.03Å; T345-D407 VanDerWaalsContact CB-OD2 3.31Å; T345-D407 WeakPolarHBondContact CB-OD2 2.97Å; T345-D407 VanDerWaalsContact CG2-OD2 3.25Å; T345-D407 WeakPolarHBondContact CG2-OD2 3.19Å; T345-D407 PolarHBondContact N-OD2 3.08Å; T345-D407 PolarHBondContact OG1-OD2 3.2Å; K380-D407 IonicContact NZ-OD2 3.25Å; N383-D407 HydrophobicContact CB-CB 4.29Å; N383-D407 PolarHBondContact OD1-OD2 3.2Å; H387-D407 VanDerWaalsContact NE2-CB 3.29Å; H387-D407 WeakPolarHBondContact NE2-CB 3.48Å; H387-D407 IonicContact NE2-OD2 2.7Å; D407-G409 VanDerWaalsContact C-N 3.26Å; D407-G409 PolarHBondContact O-N 2.79Å; D407-G409 VanDerWaalsContact OD1-CA 3.27Å; D407-G409 WeakPolarHBondContact OD1-CA 3.44Å; D407-G409 PolarHBondContact OD1-N 2.76Å; D407-D433 PolarHBondContact N-O 2.84Å
408F96.8Very high94Very high22 Ų2243.5 Ų43.510%0.09624%0.237CC..  trans-94.926.5178.5-59.5-84.7000111.5I331 R332 Y335 E342 A406 Q430 D432I331-F408 HydrophobicContact CG2-CE1 3.82Å; R332-F408 HydrophobicContact CB-CE2 4.49Å; R332-F408 HydrophobicContact CB-CZ 4.34Å; R332-F408 HydrophobicContact CG-CD1 4.07Å; R332-F408 HydrophobicContact CG-CD2 3.8Å; R332-F408 HydrophobicContact CG-CE1 3.77Å; R332-F408 HydrophobicContact CG-CE2 3.5Å; R332-F408 HydrophobicContact CG-CG 4.09Å; R332-F408 HydrophobicContact CG-CZ 3.48Å; R332-F408 VanDerWaalsContact CG-CZ 3.48Å; Y335-F408 HydrophobicContact CD2-CE1 4.48Å; Y335-F408 HydrophobicContact CD2-CZ 4Å; Y335-F408 HydrophobicContact CE2-CZ 4.47Å; Y335-F408 HydrophobicContact CG-CZ 4.14Å; E342-F408 HydrophobicContact CG-CD2 4.41Å; E342-F408 HydrophobicContact CG-CE2 4.06Å; A406-F408 HydrophobicContact CB-CE2 3.82Å; A406-F408 HydrophobicContact CB-CZ 4.22Å; F408-Q430 WeakPolarHBondContact O-CG 3.11Å; F408-Q430 PolarHBondContact O-NE2 3.41Å; F408-D432 HydrophobicContact CD1-CB 4.22Å; F408-D432 HydrophobicContact CE1-CB 3.72Å
409G94.4Very high93.3Very high17 Ų1743.5 Ų43.518%0.17524%0.243CC..  trans-71161.9179.500000113.4D407D407-G409 VanDerWaalsContact C-N 3.26Å; D407-G409 PolarHBondContact O-N 2.79Å; D407-G409 VanDerWaalsContact OD1-CA 3.27Å; D407-G409 WeakPolarHBondContact OD1-CA 3.44Å; D407-G409 PolarHBondContact OD1-N 2.76Å
410V96.8Very high92.9Very high27 Ų2738.7 Ų38.716%0.16422%0.224CC..EExtended strand (participates in β ladder)trans-76136.3176.563.30000110.8K380 R428K380-V410 WeakPolarHBondContact CE-O 3.35Å; V410-R428 HydrophobicContact CG2-CG 3.62Å; V410-R428 VanDerWaalsContact CG2-NE 3.32Å
411L97.9Very high92.7Very high0 Ų036.6 Ų36.60%022%0.219CC..EExtended strand (participates in β ladder)trans-115.7150.7176.7-60.8-177.7000110.4K380 F429 Q431K380-L411 HydrophobicContact CD-CD2 3.79Å; K380-L411 HydrophobicContact CG-CD2 3.87Å; L411-F429 HydrophobicContact CB-CD2 4.19Å; L411-F429 HydrophobicContact CB-CE1 4.16Å; L411-F429 HydrophobicContact CB-CE2 3.62Å; L411-F429 HydrophobicContact CB-CZ 3.57Å; L411-F429 HydrophobicContact CD1-CE2 3.75Å; L411-F429 HydrophobicContact CD1-CZ 4.22Å; L411-F429 HydrophobicContact CG-CE2 4.28Å; L411-F429 PolarHBondContact N-O 3.33Å; L411-F429 PolarHBondContact O-N 2.75Å; L411-Q431 HydrophobicContact CD1-CB 4.24Å; L411-Q431 HydrophobicContact CD1-CG 3.95Å
412H97.9Very high92.5Very high36 Ų3636.8 Ų36.817%0.16722%0.224CC..EExtended strand (participates in β ladder)trans-131.7123.3180-60.383000111.8F368 L379 K380 P381 R427F368-H412 HydrophobicContact CD2-CB 3.78Å; F368-H412 HydrophobicContact CE2-CB 4.02Å; L379-H412 HydrophobicContact CB-CB 3.76Å; L379-H412 HydrophobicContact CD1-CB 3.97Å; L379-H412 HydrophobicContact CG-CB 4.46Å; K380-H412 PolarHBondContact O-N 3.21Å; P381-H412 WeakPolarHBondContact CA-O 3.03Å; P381-H412 WeakPolarHBondContact CB-O 3.31Å; H412-R427 CarbonylContact C-O 3.54Å; H412-R427 WeakPolarHBondContact CA-O 3.46Å
413R96Very high92.4Very high64 Ų6435.4 Ų35.424%0.24222%0.215CC..  trans-122.5126.6174.6-68.3173.8-177.7169.813.7109Y363 P381 E415 R427 F429Y363-R413 HydrophobicContact CE1-CG 4.44Å; Y363-R413 WeakPolarHBondContact OH-CD 3.33Å; Y363-R413 WeakPolarHBondContact OH-CG 3.28Å; P381-R413 HydrophobicContact CB-CG 3.87Å; P381-R413 PolarHBondContact O-NE 2.76Å; P381-R413 PolarHBondContact O-NH2 2.88Å; R413-E415 HydrophobicContact CB-CG 4.16Å; R413-E415 PolarHBondContact O-N 2.82Å; R413-R427 PolarHBondContact N-O 3.18Å; R413-R427 VanDerWaalsContact O-CA 3.26Å; R413-R427 WeakPolarHBondContact O-CA 3.43Å; R413-R427 WeakPolarHBondContact O-CB 3.18Å; R413-R427 WeakPolarHBondContact O-CG 3.27Å; R413-F429 HydrophobicContact CB-CE1 4.08Å; R413-F429 VanDerWaalsContact CD-CZ 3.5Å; R413-F429 HydrophobicContact CG-CE1 3.75Å; R413-F429 HydrophobicContact CG-CZ 3.85Å
414N94.4Very high92.1Very high55 Ų5536 Ų3629%0.29422%0.219SC..  trans-76.468.2175.8-172.831.3000110.1H366 F368H366-N414 WeakPolarHBondContact O-CB 3.26Å; H366-N414 PolarHBondContact O-N 3.34Å; F368-N414 HydrophobicContact CD1-CB 4.16Å; F368-N414 HydrophobicContact CD2-CB 4.11Å; F368-N414 HydrophobicContact CE1-CB 4.19Å; F368-N414 HydrophobicContact CE2-CB 4.16Å; F368-N414 HydrophobicContact CG-CB 4.16Å; F368-N414 HydrophobicContact CZ-CB 4.24Å
415E89.9Confident91.9Very high15 Ų1538.7 Ų38.77%0.0723%0.229CC..  trans-67.5138.7175.6-67-69.5168.400110.2R413 S417 L420 R425 R427R413-E415 HydrophobicContact CB-CG 4.16Å; R413-E415 PolarHBondContact O-N 2.82Å; E415-S417 PolarHBondContact O-N 2.95Å; E415-L420 HydrophobicContact CB-CD2 3.76Å; E415-R425 HydrophobicContact CG-CG 4.42Å; E415-R425 IonicContact OE1-NE 3.77Å; E415-R425 IonicContact OE1-NH2 2.64Å; E415-R425 IonicContact OE2-CZ 3.85Å; E415-R425 IonicContact OE2-NE 3.58Å; E415-R425 PolarHBondContact OE2-NE 2.98Å; E415-R425 IonicContact OE2-NH2 3.68Å; E415-R425 PolarHBondContact OE2-NH2 3.28Å; E415-R427 HydrophobicContact CB-CG 4.23Å; E415-R427 VanDerWaalsContact O-CZ 3.31Å; E415-R427 PolarHBondContact O-NE 3.29Å; E415-R427 PolarHBondContact O-NH2 3.36Å
416F83.3Confident91.8Very high120 Ų12038.5 Ų38.553%0.52623%0.229SC..  trans-59.1139.4174.7-63.8-68.8000110.5H366 G418 A419 L420H366-F416 AromaticContact CE1-CE2 3.64Å; F416-G418 PolarHBondContact O-N 2.86Å; F416-G418 VanDerWaalsContact O-N 3.12Å; F416-A419 HydrophobicContact CB-CB 4.48Å; F416-A419 WeakPolarHBondContact O-CB 3.41Å; F416-A419 PolarHBondContact O-N 3.36Å; F416-L420 PolarHBondContact O-N 2.8Å
417S81.1Confident91.7Very high86 Ų8639.9 Ų39.960%0.60123%0.234SC*.G310 helixtrans-56-35.7-175.5-57.70000112.7E415 A419 L420 R427E415-S417 PolarHBondContact O-N 2.95Å; S417-A419 VanDerWaalsContact C-N 3.28Å; S417-A419 PolarHBondContact O-N 2.94Å; S417-L420 PolarHBondContact O-N 3.35Å; S417-R427 PolarHBondContact OG-NH2 2.75Å
418G74.4Confident91.7Very high85 Ų8542.7 Ų42.788%0.87625%0.245SC*.G310 helixtrans-72.1-15.1177.100000115.1F416F416-G418 PolarHBondContact O-N 2.86Å; F416-G418 VanDerWaalsContact O-N 3.12Å
419A79.1Confident91.7Very high33 Ų3342.1 Ų42.127%0.27324%0.242SC..G310 helixtrans-90.9-13.9176.300000112.9F416 S417 R425F416-A419 HydrophobicContact CB-CB 4.48Å; F416-A419 WeakPolarHBondContact O-CB 3.41Å; F416-A419 PolarHBondContact O-N 3.36Å; S417-A419 VanDerWaalsContact C-N 3.28Å; S417-A419 PolarHBondContact O-N 2.94Å; A419-R425 VanDerWaalsContact O-CD 3.27Å; A419-R425 WeakPolarHBondContact O-CD 3.44Å
420L87.4Confident91.8Very high46 Ų4642.6 Ų42.624%0.24124%0.24CC..  trans-66.5135179.8-59.3175.8000110.7E415 F416 S417 R427E415-L420 HydrophobicContact CB-CD2 3.76Å; F416-L420 PolarHBondContact O-N 2.8Å; S417-L420 PolarHBondContact O-N 3.35Å; L420-R427 HydrophobicContact CD2-CG 3.83Å
421S89.7Confident91.8Very high43 Ų4342.5 Ų42.530%0.30124%0.238SC..BIsolated β-bridgetrans-14993.8-177.8-176.50000111.3L423 T424 R425S421-L423 PolarHBondContact O-N 2.87Å; S421-T424 PolarHBondContact O-N 3.01Å; S421-T424 PolarHBondContact O-OG1 2.86Å; S421-R425 PolarHBondContact N-O 3.37Å; S421-R425 VanDerWaalsContact N-O 3.08Å; S421-R425 PolarHBondContact O-N 3.24Å
422G93.5Very high91.7Very high15 Ų1542.5 Ų42.516%0.15524%0.238CC..THydrogen-bonded Turntrans48.9-129.1-179.200000111.7H294 F306 V426H294-G422 WeakPolarHBondContact NE2-CA 3.45Å; F306-G422 WeakPolarHBondContact CZ-O 3.16Å; G422-V426 WeakPolarHBondContact O-CG1 3.3Å
423L96.5Very high91.6Very high0 Ų041.4 Ų41.40%023%0.233CC..THydrogen-bonded Turntrans-88.6-10.8174.8-67.8179.3000114.1H294 F304 F306 C314 F316 S421 E600 R601 I603 A604H294-L423 PolarHBondContact NE2-N 3.33Å; F304-L423 HydrophobicContact CD1-CD1 3.7Å; F304-L423 HydrophobicContact CD1-CG 4.37Å; F304-L423 HydrophobicContact CD2-CG 4.41Å; F304-L423 HydrophobicContact CE1-CD1 3.37Å; F304-L423 HydrophobicContact CE1-CG 4.02Å; F304-L423 HydrophobicContact CE2-CD1 4.32Å; F304-L423 HydrophobicContact CE2-CG 4.06Å; F304-L423 HydrophobicContact CG-CD1 4.32Å; F304-L423 HydrophobicContact CZ-CD1 3.73Å; F304-L423 HydrophobicContact CZ-CG 3.87Å; F306-L423 HydrophobicContact CE2-CD2 4.41Å; F306-L423 HydrophobicContact CZ-CD2 4.07Å; C314-L423 HydrophobicContact CB-CD2 3.68Å; C314-L423 WeakPolarHBondContact SG-CD2 3.41Å; F316-L423 HydrophobicContact CE1-CD1 4.22Å; F316-L423 HydrophobicContact CE1-CD2 4.37Å; F316-L423 HydrophobicContact CZ-CD1 4.32Å; F316-L423 HydrophobicContact CZ-CD2 3.84Å; S421-L423 PolarHBondContact O-N 2.87Å; L423-E600 HydrophobicContact CB-CB 4.26Å; L423-E600 WeakPolarHBondContact CB-O 3.2Å; L423-E600 HydrophobicContact CD2-CB 4.08Å; L423-E600 HydrophobicContact CD2-CG 4.12Å; L423-E600 CarbonylContact O-C 3.47Å; L423-R601 PolarHBondContact O-N 2.87Å; L423-I603 HydrophobicContact CD1-CB 4.1Å; L423-I603 HydrophobicContact CD1-CG2 3.66Å; L423-A604 HydrophobicContact CB-CB 3.88Å
424T92.7Very high91.6Very high27 Ų2738.4 Ų38.417%0.16622%0.222CC..THydrogen-bonded Turntrans-72-29.9-177.661.70000112.9S421 R601 A604S421-T424 PolarHBondContact O-N 3.01Å; S421-T424 PolarHBondContact O-OG1 2.86Å; T424-R601 PolarHBondContact O-NE 2.96Å; T424-R601 PolarHBondContact O-NH2 3.13Å; T424-A604 HydrophobicContact CG2-CB 3.74Å
425R93Very high91.8Very high107 Ų10735.9 Ų35.940%0.40421%0.208SC..BIsolated β-bridgetrans-145.5113.8176-168.8157.9-176.6164.64.4110.3E415 A419 S421E415-R425 HydrophobicContact CG-CG 4.42Å; E415-R425 IonicContact OE1-NE 3.77Å; E415-R425 IonicContact OE1-NH2 2.64Å; E415-R425 IonicContact OE2-CZ 3.85Å; E415-R425 IonicContact OE2-NE 3.58Å; E415-R425 PolarHBondContact OE2-NE 2.98Å; E415-R425 IonicContact OE2-NH2 3.68Å; E415-R425 PolarHBondContact OE2-NH2 3.28Å; A419-R425 VanDerWaalsContact O-CD 3.27Å; A419-R425 WeakPolarHBondContact O-CD 3.44Å; S421-R425 PolarHBondContact N-O 3.37Å; S421-R425 VanDerWaalsContact N-O 3.08Å; S421-R425 PolarHBondContact O-N 3.24Å
426V96.4Very high92.3Very high8 Ų835.2 Ų35.25%0.04821%0.205CC..  trans-136.5163.2-170.4-70.30000110F306 G312 G422 R428 F429 E600F306-V426 HydrophobicContact CE1-CG1 4.04Å; F306-V426 HydrophobicContact CZ-CG1 3.95Å; G312-V426 CarbonylContact O-C 3.23Å; G312-V426 WeakPolarHBondContact O-CA 3.48Å; G312-V426 VanDerWaalsContact O-CB 3.26Å; G312-V426 WeakPolarHBondContact O-CB 3.17Å; G422-V426 WeakPolarHBondContact O-CG1 3.3Å; V426-R428 VanDerWaalsContact CG2-O 3.27Å; V426-R428 WeakPolarHBondContact CG2-O 3.47Å; V426-F429 HydrophobicContact CG2-CB 3.67Å; V426-F429 HydrophobicContact CG2-CD1 4.15Å; V426-F429 HydrophobicContact CG2-CG 4.26Å; V426-E600 HydrophobicContact CG2-CB 4.33Å; V426-E600 HydrophobicContact CG2-CG 4.33Å
427R96.6Very high93Very high29 Ų2929.5 Ų29.511%0.10918%0.18CC..SBendtrans-88.9-31.7176.2-63.9-166.9178.2145.6-11.6113.3P311 G312 F368 H412 R413 E415 S417 L420P311-R427 WeakPolarHBondContact O-CD 3.25Å; P311-R427 PolarHBondContact O-NH1 3.28Å; G312-R427 PolarHBondContact O-N 2.89Å; F368-R427 HydrophobicContact CE2-CB 4.21Å; F368-R427 HydrophobicContact CZ-CB 4.08Å; F368-R427 HydrophobicContact CZ-CG 4.4Å; H412-R427 CarbonylContact C-O 3.54Å; H412-R427 WeakPolarHBondContact CA-O 3.46Å; R413-R427 PolarHBondContact N-O 3.18Å; R413-R427 VanDerWaalsContact O-CA 3.26Å; R413-R427 WeakPolarHBondContact O-CA 3.43Å; R413-R427 WeakPolarHBondContact O-CB 3.18Å; R413-R427 WeakPolarHBondContact O-CG 3.27Å; E415-R427 HydrophobicContact CB-CG 4.23Å; E415-R427 VanDerWaalsContact O-CZ 3.31Å; E415-R427 PolarHBondContact O-NE 3.29Å; E415-R427 PolarHBondContact O-NH2 3.36Å; S417-R427 PolarHBondContact OG-NH2 2.75Å; L420-R427 HydrophobicContact CD2-CG 3.83Å
428R97.4Very high93.8Very high62 Ų6225.4 Ų25.423%0.23415%0.151CC..EExtended strand (participates in β ladder)trans-112.9128.5173.1178.1-85.8178.2-153.5-2.4108.6Y324 V410 V426 E600Y324-R428 PolarHBondContact OH-NH1 3.39Å; Y324-R428 VanDerWaalsContact OH-NH1 3.16Å; V410-R428 HydrophobicContact CG2-CG 3.62Å; V410-R428 VanDerWaalsContact CG2-NE 3.32Å; V426-R428 VanDerWaalsContact CG2-O 3.27Å; V426-R428 WeakPolarHBondContact CG2-O 3.47Å; R428-E600 IonicContact CZ-OE1 3.66Å; R428-E600 IonicContact NH1-OE1 2.82Å; R428-E600 PolarHBondContact NH1-OE1 2.91Å
429F97.8Very high94.9Very high10 Ų1023.9 Ų23.94%0.04412%0.119CC..EExtended strand (participates in β ladder)trans-153.8167.1176.655.3-77.5000111.8L411 R413 V426 Q431 E600L411-F429 HydrophobicContact CB-CD2 4.19Å; L411-F429 HydrophobicContact CB-CE1 4.16Å; L411-F429 HydrophobicContact CB-CE2 3.62Å; L411-F429 HydrophobicContact CB-CZ 3.57Å; L411-F429 HydrophobicContact CD1-CE2 3.75Å; L411-F429 HydrophobicContact CD1-CZ 4.22Å; L411-F429 HydrophobicContact CG-CE2 4.28Å; L411-F429 PolarHBondContact N-O 3.33Å; L411-F429 PolarHBondContact O-N 2.75Å; R413-F429 HydrophobicContact CB-CE1 4.08Å; R413-F429 VanDerWaalsContact CD-CZ 3.5Å; R413-F429 HydrophobicContact CG-CE1 3.75Å; R413-F429 HydrophobicContact CG-CZ 3.85Å; V426-F429 HydrophobicContact CG2-CB 3.67Å; V426-F429 HydrophobicContact CG2-CD1 4.15Å; V426-F429 HydrophobicContact CG2-CG 4.26Å; F429-Q431 HydrophobicContact CD2-CG 3.55Å; F429-Q431 HydrophobicContact CE2-CG 3.53Å; F429-Q431 VanDerWaalsContact CE2-OE1 3.32Å; F429-E600 VanDerWaalsContact CA-CD 3.48Å; F429-E600 WeakPolarHBondContact CA-OE1 3.25Å; F429-E600 WeakPolarHBondContact CA-OE2 3.09Å; F429-E600 HydrophobicContact CB-CG 4.37Å; F429-E600 VanDerWaalsContact CB-OE2 3.23Å; F429-E600 WeakPolarHBondContact CB-OE2 3.26Å
430Q96.9Very high95.6Very high26 Ų2626.6 Ų26.612%0.12113%0.126CC..EExtended strand (participates in β ladder)trans-119.7134.6170.8-173.1174.3-34.800109Y324 F408 S598 V599 E600Y324-Q430 WeakPolarHBondContact OH-CB 3.32Å; Y324-Q430 VanDerWaalsContact OH-CD 3.3Å; Y324-Q430 PolarHBondContact OH-OE1 3.45Å; F408-Q430 WeakPolarHBondContact O-CG 3.11Å; F408-Q430 PolarHBondContact O-NE2 3.41Å; Q430-S598 CarbonylContact O-C 3.52Å; Q430-S598 VanDerWaalsContact O-CA 3.25Å; Q430-S598 WeakPolarHBondContact O-CA 3.05Å; Q430-S598 WeakPolarHBondContact O-CB 3.34Å; Q430-V599 HydrophobicContact CB-CG2 4.35Å; Q430-V599 PolarHBondContact O-N 3.11Å; Q430-E600 PolarHBondContact N-OE2 3.17Å
431Q95.3Very high95.9Very high25 Ų2529.8 Ų29.812%0.11714%0.144CC..BIsolated β-bridgetrans-111.6152.6176-64.1-161.4-103.700109.9L411 F429 D433 G597L411-Q431 HydrophobicContact CD1-CB 4.24Å; L411-Q431 HydrophobicContact CD1-CG 3.95Å; F429-Q431 HydrophobicContact CD2-CG 3.55Å; F429-Q431 HydrophobicContact CE2-CG 3.53Å; F429-Q431 VanDerWaalsContact CE2-OE1 3.32Å; Q431-D433 HydrophobicContact CB-CB 3.96Å; Q431-D433 PolarHBondContact O-N 2.71Å; Q431-G597 VanDerWaalsContact CA-O 3.29Å; Q431-G597 WeakPolarHBondContact CA-O 2.91Å; Q431-G597 WeakPolarHBondContact CB-O 3.38Å; Q431-G597 WeakPolarHBondContact CG-O 3.49Å; Q431-G597 PolarHBondContact NE2-O 3.01Å
432D95.9Very high96.3Very high1 Ų128.9 Ų28.91%0.00514%0.135CC..  trans-80.552.8164.270.2-59.1000110I331 Y335 F408 I595 L596 G597I331-D432 HydrophobicContact CG1-CB 3.88Å; I331-D432 HydrophobicContact CG2-CB 4.26Å; Y335-D432 HydrophobicContact CE2-CB 4.02Å; Y335-D432 WeakPolarHBondContact CE2-OD2 3.31Å; Y335-D432 PolarHBondContact OH-O 2.64Å; Y335-D432 PolarHBondContact OH-OD2 2.83Å; F408-D432 HydrophobicContact CD1-CB 4.22Å; F408-D432 HydrophobicContact CE1-CB 3.72Å; D432-I595 PolarHBondContact OD1-N 3.41Å; D432-I595 WeakPolarHBondContact OD2-CA 3.17Å; D432-I595 VanDerWaalsContact OD2-CB 3.23Å; D432-I595 WeakPolarHBondContact OD2-CB 3.44Å; D432-I595 PolarHBondContact OD2-N 2.85Å; D432-L596 WeakPolarHBondContact OD1-CB 3.43Å; D432-L596 PolarHBondContact OD1-N 3.35Å; D432-L596 PolarHBondContact OD2-N 2.77Å; D432-G597 PolarHBondContact OD1-N 2.97Å
433D95.6Very high96.4Very high13 Ų1328.3 Ų28.37%0.0713%0.128CC..EExtended strand (participates in β ladder)trans-75131.6-167.6-166.615.2000110.7N383 D407 Q431 H435N383-D433 VanDerWaalsContact CB-OD2 3.25Å; N383-D433 WeakPolarHBondContact CB-OD2 3.28Å; N383-D433 PolarHBondContact N-OD2 2.8Å; N383-D433 WeakPolarHBondContact ND2-CB 3.25Å; N383-D433 PolarHBondContact ND2-OD2 2.85Å; D407-D433 PolarHBondContact N-O 2.84Å; Q431-D433 HydrophobicContact CB-CB 3.96Å; Q431-D433 PolarHBondContact O-N 2.71Å; D433-H435 IonicContact OD1-CE1 2.67Å; D433-H435 PolarHBondContact OD1-CE1 3.27Å; D433-H435 IonicContact OD1-ND1 3.36Å; D433-H435 IonicContact OD2-CE1 3.68Å
434A97.9Very high96.3Very high0 Ų031.9 Ų31.90%014%0.144CC..EExtended strand (participates in β ladder)trans-148150.1-176.900000112.7Y335 F340 F405 A406 R593Y335-A434 HydrophobicContact CD1-CB 4.24Å; Y335-A434 HydrophobicContact CE1-CB 3.36Å; F340-A434 HydrophobicContact CD1-CB 3.88Å; F340-A434 HydrophobicContact CE1-CB 3.64Å; F405-A434 CarbonylContact O-C 3.51Å; F405-A434 WeakPolarHBondContact O-CA 3.18Å; F405-A434 VanDerWaalsContact O-CB 3.25Å; F405-A434 WeakPolarHBondContact O-CB 3.21Å; A406-A434 HydrophobicContact CB-CB 4.24Å; A434-R593 HydrophobicContact CB-CG 4.12Å; A434-R593 PolarHBondContact N-O 3.31Å; A434-R593 WeakPolarHBondContact O-CG 3.42Å; A434-R593 PolarHBondContact O-N 3.49Å
435H98.5Very high96.5Very high2 Ų235.7 Ų35.71%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-136.1123.9-171.4-65.270.5000109.5C384 H387 F405 D433 F437 I590 I591 H592C384-H435 VanDerWaalsContact CA-NE2 3.28Å; C384-H435 WeakPolarHBondContact CA-NE2 3.44Å; C384-H435 WeakPolarHBondContact CB-NE2 3.29Å; H387-H435 HydrophobicContact CB-CB 4.49Å; H387-H435 AromaticContact CE1-ND1 3.36Å; H387-H435 PolarHBondContact CE1-ND1 3Å; H387-H435 AromaticContact ND1-CE1 3.66Å; H387-H435 AromaticContact ND1-CG 3.22Å; H387-H435 AromaticContact ND1-ND1 2.88Å; H387-H435 PolarHBondContact ND1-ND1 3.32Å; F405-H435 PolarHBondContact N-O 2.94Å; F405-H435 PolarHBondContact O-N 2.99Å; D433-H435 IonicContact OD1-CE1 2.67Å; D433-H435 PolarHBondContact OD1-CE1 3.27Å; D433-H435 IonicContact OD1-ND1 3.36Å; D433-H435 IonicContact OD2-CE1 3.68Å; H435-F437 HydrophobicContact CB-CE2 4.22Å; H435-I590 HydrophobicContact CB-CG2 4.26Å; H435-I591 WeakPolarHBondContact CA-O 3.31Å; H435-H592 AromaticContact CD2-CE1 3.57Å; H435-H592 AromaticContact CD2-CG 3.92Å; H435-H592 AromaticContact CD2-ND1 3.04Å; H435-H592 PolarHBondContact CD2-ND1 2.85Å; H435-H592 AromaticContact NE2-CE1 3.7Å; H435-H592 AromaticContact NE2-CG 3.92Å; H435-H592 AromaticContact NE2-ND1 2.91Å; H435-H592 PolarHBondContact NE2-ND1 3.2Å
436I98.6Very high96.7Very high1 Ų131.3 Ų31.31%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-107.6111.8178.9-50.5175.1000107.6F340 P402 L403 R404 C438 E446 I590 I591F340-I436 HydrophobicContact CE1-CD1 4.25Å; F340-I436 HydrophobicContact CE1-CG1 3.88Å; F340-I436 HydrophobicContact CZ-CD1 3.86Å; F340-I436 HydrophobicContact CZ-CG1 4.01Å; P402-I436 HydrophobicContact CB-CG2 3.81Å; L403-I436 CarbonylContact O-C 3.59Å; L403-I436 WeakPolarHBondContact O-CA 3.28Å; R404-I436 HydrophobicContact CG-CB 4.43Å; R404-I436 HydrophobicContact CG-CG1 4.07Å; R404-I436 HydrophobicContact CG-CG2 3.96Å; I436-C438 HydrophobicContact CG2-CB 4.18Å; I436-E446 HydrophobicContact CD1-CB 4.43Å; I436-E446 HydrophobicContact CG2-CG 4.09Å; I436-I590 CarbonylContact O-C 3.59Å; I436-I590 WeakPolarHBondContact O-CA 3.27Å; I436-I591 HydrophobicContact CB-CB 4.19Å; I436-I591 PolarHBondContact N-O 3.27Å; I436-I591 PolarHBondContact O-N 3.17Å
437F98.6Very high96.7Very high0 Ų031 Ų310%015%0.145CC..EExtended strand (participates in β ladder)trans-86.7115169.3-57.6-96.5000107.2H387 Y391 L401 P402 L403 F405 H435 L544 P588 V589 I590H387-F437 HydrophobicContact CB-CE2 4.24Å; H387-F437 HydrophobicContact CB-CZ 3.98Å; Y391-F437 HydrophobicContact CD2-CB 3.74Å; Y391-F437 AromaticContact CD2-CD1 3.37Å; Y391-F437 HydrophobicContact CD2-CD1 3.37Å; Y391-F437 AromaticContact CD2-CD2 3.83Å; Y391-F437 HydrophobicContact CD2-CD2 3.83Å; Y391-F437 AromaticContact CD2-CE1 3.88Å; Y391-F437 HydrophobicContact CD2-CE1 3.88Å; Y391-F437 HydrophobicContact CD2-CE2 4.29Å; Y391-F437 AromaticContact CD2-CG 3.35Å; Y391-F437 HydrophobicContact CD2-CG 3.35Å; Y391-F437 HydrophobicContact CD2-CZ 4.31Å; Y391-F437 HydrophobicContact CE2-CB 3.5Å; Y391-F437 AromaticContact CE2-CD1 3.81Å; Y391-F437 HydrophobicContact CE2-CD1 3.81Å; Y391-F437 HydrophobicContact CE2-CD2 4.46Å; Y391-F437 AromaticContact CE2-CG 3.68Å; Y391-F437 HydrophobicContact CE2-CG 3.68Å; Y391-F437 AromaticContact CG-CD1 3.83Å; Y391-F437 HydrophobicContact CG-CD1 3.83Å; Y391-F437 AromaticContact CG-CE1 3.94Å; Y391-F437 HydrophobicContact CG-CE1 3.94Å; Y391-F437 HydrophobicContact CG-CG 4.24Å; Y391-F437 HydrophobicContact CG-CZ 4.43Å; L401-F437 HydrophobicContact CD2-CB 4.33Å; L401-F437 WeakPolarHBondContact CD2-O 3.42Å; P402-F437 CarbonylContact C-O 3.5Å; P402-F437 VanDerWaalsContact CA-O 3.3Å; P402-F437 WeakPolarHBondContact CA-O 3.44Å; L403-F437 HydrophobicContact CB-CB 4.35Å; L403-F437 PolarHBondContact N-O 3.08Å; L403-F437 PolarHBondContact O-N 3.03Å; F405-F437 HydrophobicContact CD2-CD2 4.41Å; F405-F437 AromaticContact CD2-CE2 3.74Å; F405-F437 HydrophobicContact CD2-CE2 3.74Å; F405-F437 HydrophobicContact CE2-CE2 4.07Å; H435-F437 HydrophobicContact CB-CE2 4.22Å; F437-L544 HydrophobicContact CD1-CD1 4.17Å; F437-L544 HydrophobicContact CE1-CD1 3.72Å; F437-P588 HydrophobicContact CB-CB 4.43Å; F437-V589 WeakPolarHBondContact CA-O 3.36Å; F437-I590 HydrophobicContact CD1-CD1 4.06Å; F437-I590 HydrophobicContact CD1-CG1 3.68Å; F437-I590 HydrophobicContact CE1-CD1 3.54Å; F437-I590 HydrophobicContact CE1-CG1 3.69Å; F437-I590 HydrophobicContact CZ-CD1 4.31Å
438C98.2Very high96.6Very high0 Ų034 Ų340%016%0.159CC..EExtended strand (participates in β ladder)trans-136.4166.5-175.163.40000111.1P402 I436 Q442 E446 P588 V589P402-C438 HydrophobicContact CB-CB 3.95Å; I436-C438 HydrophobicContact CG2-CB 4.18Å; C438-Q442 HydrophobicContact CB-CB 4.04Å; C438-E446 HydrophobicContact CB-CG 4.48Å; C438-P588 CarbonylContact O-C 3.58Å; C438-P588 WeakPolarHBondContact O-CA 3.39Å; C438-V589 PolarHBondContact N-O 3.27Å; C438-V589 PolarHBondContact O-N 2.96Å
439R96.4Very high96.6Very high53 Ų5333.2 Ų33.220%0.216%0.163CC..  trans-80.2160.5168.5-56.8-167.7-55.6-88-2.6110.3H398 L401 D441 Q442 Y546H398-R439 PolarHBondContact O-NH1 3.01Å; H398-R439 VanDerWaalsContact O-NH1 3.12Å; L401-R439 HydrophobicContact CB-CG 4.27Å; L401-R439 HydrophobicContact CD1-CG 3.83Å; R439-D441 VanDerWaalsContact C-N 3.26Å; R439-D441 WeakPolarHBondContact CB-OD1 3.35Å; R439-D441 IonicContact CZ-OD1 3.88Å; R439-D441 IonicContact CZ-OD2 2.79Å; R439-D441 IonicContact NE-OD1 3.61Å; R439-D441 PolarHBondContact NE-OD1 2.81Å; R439-D441 IonicContact NE-OD2 4Å; R439-D441 PolarHBondContact NE-OD2 2.84Å; R439-D441 IonicContact NH2-OD1 3.08Å; R439-D441 IonicContact NH2-OD2 3.87Å; R439-D441 PolarHBondContact NH2-OD2 2.82Å; R439-D441 PolarHBondContact O-N 3.21Å; R439-Q442 HydrophobicContact CB-CG 4.25Å; R439-Q442 WeakPolarHBondContact O-CB 3.38Å; R439-Q442 PolarHBondContact O-N 2.88Å; R439-Y546 HydrophobicContact CG-CE1 4.33Å; R439-Y546 HydrophobicContact CG-CE2 4.14Å; R439-Y546 WeakPolarHBondContact CG-OH 3.46Å
440E94Very high96.5Very high91 Ų9132.7 Ų32.743%0.42516%0.161SC..G310 helixtrans-58.9-36.1179.4-71.1-170.5-155.400113.2Q442 I443 F536 V589E440-Q442 PolarHBondContact O-N 2.9Å; E440-I443 HydrophobicContact CB-CD1 4.36Å; E440-I443 HydrophobicContact CG-CD1 4.45Å; E440-I443 WeakPolarHBondContact O-CG1 3.22Å; E440-I443 PolarHBondContact O-N 3.35Å; E440-F536 HydrophobicContact CG-CE1 4.24Å; E440-V589 HydrophobicContact CG-CG2 3.65Å
441D94.9Very high96.5Very high113 Ų11331.5 Ų31.560%0.60416%0.155SC*.G310 helixtrans-67-16.8177.362.2-59000113.6R439R439-D441 VanDerWaalsContact C-N 3.26Å; R439-D441 WeakPolarHBondContact CB-OD1 3.35Å; R439-D441 IonicContact CZ-OD1 3.88Å; R439-D441 IonicContact CZ-OD2 2.79Å; R439-D441 IonicContact NE-OD1 3.61Å; R439-D441 PolarHBondContact NE-OD1 2.81Å; R439-D441 IonicContact NE-OD2 4Å; R439-D441 PolarHBondContact NE-OD2 2.84Å; R439-D441 IonicContact NH2-OD1 3.08Å; R439-D441 IonicContact NH2-OD2 3.87Å; R439-D441 PolarHBondContact NH2-OD2 2.82Å; R439-D441 PolarHBondContact O-N 3.21Å
442Q97Very high96.5Very high24 Ų2433.9 Ų33.911%0.11217%0.169CC..G310 helixtrans-94.7-9.3-177.5-62.1176.3-41.200113.2L401 C438 R439 E440 K444 D445 E446L401-Q442 PolarHBondContact O-NE2 3.34Å; C438-Q442 HydrophobicContact CB-CB 4.04Å; R439-Q442 HydrophobicContact CB-CG 4.25Å; R439-Q442 WeakPolarHBondContact O-CB 3.38Å; R439-Q442 PolarHBondContact O-N 2.88Å; E440-Q442 PolarHBondContact O-N 2.9Å; Q442-K444 PolarHBondContact O-N 3.35Å; Q442-D445 PolarHBondContact O-N 2.82Å; Q442-E446 WeakPolarHBondContact O-CG 3.32Å; Q442-E446 PolarHBondContact O-N 3.45Å; Q442-E446 VanDerWaalsContact O-N 3.08Å
443I95.9Very high96.5Very high2 Ų233.9 Ų33.91%0.0117%0.168CC..Hα-helixtrans-58.2-48.7-171.5-68.6169.4000111.7E440 D445 E446 I447 L534 F536 V589E440-I443 HydrophobicContact CB-CD1 4.36Å; E440-I443 HydrophobicContact CG-CD1 4.45Å; E440-I443 WeakPolarHBondContact O-CG1 3.22Å; E440-I443 PolarHBondContact O-N 3.35Å; I443-D445 PolarHBondContact O-N 3.24Å; I443-E446 PolarHBondContact O-N 2.96Å; I443-I447 HydrophobicContact CG2-CG1 4.05Å; I443-I447 VanDerWaalsContact O-CG1 3.26Å; I443-I447 WeakPolarHBondContact O-CG1 3.49Å; I443-I447 PolarHBondContact O-N 3.25Å; I443-L534 HydrophobicContact CD1-CD1 4.14Å; I443-L534 HydrophobicContact CG1-CD1 4.26Å; I443-L534 HydrophobicContact CG2-CD1 3.82Å; I443-L534 HydrophobicContact CG2-CD2 4.13Å; I443-F536 HydrophobicContact CD1-CZ 4.05Å; I443-V589 HydrophobicContact CD1-CB 4.12Å; I443-V589 HydrophobicContact CD1-CG1 3.94Å; I443-V589 HydrophobicContact CD1-CG2 4.04Å; I443-V589 HydrophobicContact CG1-CG1 4.47Å
444K95Very high96.5Very high76 Ų7633.3 Ų33.333%0.3317%0.165SC..Hα-helixtrans-59.9-45.7-176.5-66.7-170.5175.6-171.80112.1Q442 I447 K448 E492Q442-K444 PolarHBondContact O-N 3.35Å; K444-I447 PolarHBondContact O-N 2.69Å; K444-K448 WeakPolarHBondContact O-CB 3.46Å; K444-K448 PolarHBondContact O-N 3.29Å; K444-E492 WeakPolarHBondContact CE-OE2 3.23Å; K444-E492 IonicContact NZ-OE2 2.82Å; K444-E492 PolarHBondContact NZ-OE2 2.93Å
445D96.1Very high96.3Very high107 Ų10739.5 Ų39.557%0.57219%0.189SC*.Hα-helixtrans-63.8-41.3178.5-73.8-25.8000111.8Q442 I443 K448 S449Q442-D445 PolarHBondContact O-N 2.82Å; I443-D445 PolarHBondContact O-N 3.24Å; D445-K448 PolarHBondContact O-N 2.87Å; D445-S449 WeakPolarHBondContact O-CB 3.47Å; D445-S449 PolarHBondContact O-N 2.93Å
446E97.2Very high96.2Very high15 Ų1543.7 Ų43.77%0.0721%0.205CC..Hα-helixtrans-69.9-39.5177.7-67-53.9125.600112.5P402 R404 I436 C438 Q442 I443 S449 C450 I591P402-E446 HydrophobicContact CB-CG 4.42Å; R404-E446 IonicContact CZ-OE1 3.01Å; R404-E446 IonicContact CZ-OE2 2.8Å; R404-E446 IonicContact NE-OE1 3.73Å; R404-E446 IonicContact NE-OE2 3.92Å; R404-E446 PolarHBondContact NE-OE2 2.95Å; R404-E446 IonicContact NH2-OE1 2.71Å; R404-E446 PolarHBondContact NH2-OE1 3.34Å; R404-E446 IonicContact NH2-OE2 3.35Å; R404-E446 PolarHBondContact NH2-OE2 3.43Å; I436-E446 HydrophobicContact CD1-CB 4.43Å; I436-E446 HydrophobicContact CG2-CG 4.09Å; C438-E446 HydrophobicContact CB-CG 4.48Å; Q442-E446 WeakPolarHBondContact O-CG 3.32Å; Q442-E446 PolarHBondContact O-N 3.45Å; Q442-E446 VanDerWaalsContact O-N 3.08Å; I443-E446 PolarHBondContact O-N 2.96Å; E446-S449 PolarHBondContact O-N 3.18Å; E446-C450 WeakPolarHBondContact O-CB 2.98Å; E446-C450 PolarHBondContact O-N 3.3Å; E446-C450 PolarHBondContact O-SG 2.83Å; E446-I591 HydrophobicContact CB-CD1 3.41Å; E446-I591 VanDerWaalsContact CB-CD1 3.41Å; E446-I591 HydrophobicContact CG-CD1 4.32Å
447I96Very high96.2Very high0 Ų043.7 Ų43.70%021%0.205CC..Hα-helixtrans-62.5-45.3174.6-65-63.9000110.4I443 K444 C450 L451 L490 I515 I532 I591I443-I447 HydrophobicContact CG2-CG1 4.05Å; I443-I447 VanDerWaalsContact O-CG1 3.26Å; I443-I447 WeakPolarHBondContact O-CG1 3.49Å; I443-I447 PolarHBondContact O-N 3.25Å; K444-I447 PolarHBondContact O-N 2.69Å; I447-C450 WeakPolarHBondContact O-CB 3.46Å; I447-C450 PolarHBondContact O-N 3.07Å; I447-L451 HydrophobicContact CG2-CD1 4.14Å; I447-L451 WeakPolarHBondContact O-CG 3.45Å; I447-L451 PolarHBondContact O-N 2.98Å; I447-L490 HydrophobicContact CD1-CD2 3.69Å; I447-L490 HydrophobicContact CG1-CD2 4.13Å; I447-I515 HydrophobicContact CG2-CD1 3.87Å; I447-I532 HydrophobicContact CD1-CG2 3.42Å; I447-I532 VanDerWaalsContact CD1-CG2 3.42Å; I447-I591 HydrophobicContact CD1-CD1 4.06Å; I447-I591 HydrophobicContact CD1-CG1 4.33Å; I447-I591 HydrophobicContact CD1-CG2 4.02Å; I447-I591 HydrophobicContact CG1-CD1 4.29Å
448K96Very high96Very high93 Ų9343.7 Ų43.740%0.40421%0.205SC..Hα-helixtrans-58.6-48.2174.9-179.6177.4-178.8178.30111.9K444 D445 C450 L451 D452 V497K444-K448 WeakPolarHBondContact O-CB 3.46Å; K444-K448 PolarHBondContact O-N 3.29Å; D445-K448 PolarHBondContact O-N 2.87Å; K448-C450 VanDerWaalsContact C-N 3.26Å; K448-C450 PolarHBondContact O-N 3.35Å; K448-L451 PolarHBondContact O-N 3Å; K448-L451 VanDerWaalsContact O-N 3.12Å; K448-D452 PolarHBondContact O-N 3.39Å; K448-V497 HydrophobicContact CB-CG2 4.16Å; K448-V497 HydrophobicContact CG-CG2 4.17Å
449S96.5Very high95.8Very high45 Ų4546 Ų4632%0.31523%0.229SC..Hα-helixtrans-58.1-37.8175.5-178.50000112.2D445 E446 F453D445-S449 WeakPolarHBondContact O-CB 3.47Å; D445-S449 PolarHBondContact O-N 2.93Å; E446-S449 PolarHBondContact O-N 3.18Å; S449-F453 WeakPolarHBondContact O-CB 3.46Å; S449-F453 PolarHBondContact O-N 2.94Å
450C96.9Very high95.8Very high0 Ų044.5 Ų44.50%023%0.225CC..Hα-helixtrans-66-42.9174.8-67.40000112.5E446 I447 K448 F453 L454 I532 R593E446-C450 WeakPolarHBondContact O-CB 2.98Å; E446-C450 PolarHBondContact O-N 3.3Å; E446-C450 PolarHBondContact O-SG 2.83Å; I447-C450 WeakPolarHBondContact O-CB 3.46Å; I447-C450 PolarHBondContact O-N 3.07Å; K448-C450 VanDerWaalsContact C-N 3.26Å; K448-C450 PolarHBondContact O-N 3.35Å; C450-F453 PolarHBondContact O-N 2.81Å; C450-L454 WeakPolarHBondContact O-CG 3.01Å; C450-L454 PolarHBondContact O-N 2.71Å; C450-I532 HydrophobicContact CB-CD1 3.53Å; C450-I532 HydrophobicContact CB-CG1 4.08Å; C450-R593 PolarHBondContact SG-NH1 2.95Å
451L95.4Very high95.9Very high0 Ų040.2 Ų40.20%021%0.206CC..Hα-helixtrans-66.2-39.1176.9-67.9169.1000112.1I447 K448 F453 L454 R455 L467 L494 V497 I532I447-L451 HydrophobicContact CG2-CD1 4.14Å; I447-L451 WeakPolarHBondContact O-CG 3.45Å; I447-L451 PolarHBondContact O-N 2.98Å; K448-L451 PolarHBondContact O-N 3Å; K448-L451 VanDerWaalsContact O-N 3.12Å; L451-F453 VanDerWaalsContact C-N 3.33Å; L451-F453 PolarHBondContact O-N 3.14Å; L451-L454 HydrophobicContact CD2-CD1 4.07Å; L451-L454 WeakPolarHBondContact O-CB 3.34Å; L451-L454 PolarHBondContact O-N 2.94Å; L451-R455 WeakPolarHBondContact O-CG 3.37Å; L451-R455 PolarHBondContact O-N 3.14Å; L451-L467 HydrophobicContact CD2-CD1 4.11Å; L451-L467 HydrophobicContact CD2-CD2 4.02Å; L451-L494 HydrophobicContact CD1-CD2 4.39Å; L451-V497 HydrophobicContact CD1-CB 4.2Å; L451-V497 HydrophobicContact CD1-CG1 4.1Å; L451-V497 HydrophobicContact CD1-CG2 3.75Å; L451-I532 HydrophobicContact CD2-CD1 3.91Å; L451-I532 HydrophobicContact CG-CD1 4.13Å
452D95.2Very high95.8Very high76 Ų7637.4 Ų37.441%0.40620%0.203SC..Hα-helixtrans-65.8-36.9174-74.5-24.1000111.9K448 R455 Y456K448-D452 PolarHBondContact O-N 3.39Å; D452-R455 PolarHBondContact O-N 3.48Å; D452-Y456 PolarHBondContact O-N 3.1Å; D452-Y456 VanDerWaalsContact O-N 3.09Å
453F97Very high95.6Very high1 Ų137.3 Ų37.30%0.00420%0.202CC..Hα-helixtrans-64.3-44.7172.7-168.6177.6000111.3I331 E334 Y335 R338 S449 C450 L451 R455 Y456 V457 R593 I595I331-F453 HydrophobicContact CD1-CE2 4.01Å; I331-F453 HydrophobicContact CD1-CZ 3.78Å; E334-F453 HydrophobicContact CB-CE2 3.47Å; E334-F453 VanDerWaalsContact CB-CE2 3.47Å; E334-F453 HydrophobicContact CB-CZ 3.66Å; E334-F453 HydrophobicContact CG-CE2 4.44Å; Y335-F453 HydrophobicContact CD1-CE1 4.23Å; Y335-F453 AromaticContact CD2-CE1 3.75Å; Y335-F453 HydrophobicContact CD2-CE1 3.75Å; Y335-F453 AromaticContact CD2-CZ 3.61Å; Y335-F453 HydrophobicContact CD2-CZ 3.61Å; Y335-F453 HydrophobicContact CE1-CE1 4.17Å; Y335-F453 AromaticContact CE2-CE1 3.76Å; Y335-F453 HydrophobicContact CE2-CE1 3.76Å; Y335-F453 AromaticContact CE2-CZ 3.77Å; Y335-F453 HydrophobicContact CE2-CZ 3.77Å; Y335-F453 HydrophobicContact CG-CE1 4.01Å; Y335-F453 HydrophobicContact CG-CZ 4.21Å; Y335-F453 AromaticContact CZ-CE1 3.99Å; R338-F453 VanDerWaalsContact CZ-CD2 3.42Å; S449-F453 WeakPolarHBondContact O-CB 3.46Å; S449-F453 PolarHBondContact O-N 2.94Å; C450-F453 PolarHBondContact O-N 2.81Å; L451-F453 VanDerWaalsContact C-N 3.33Å; L451-F453 PolarHBondContact O-N 3.14Å; F453-R455 VanDerWaalsContact C-N 3.35Å; F453-R455 PolarHBondContact O-N 3.15Å; F453-Y456 PolarHBondContact O-N 3.49Å; F453-V457 HydrophobicContact CD2-CG2 3.6Å; F453-V457 HydrophobicContact CE2-CG2 3.31Å; F453-V457 HydrophobicContact CZ-CG2 4.4Å; F453-V457 PolarHBondContact O-N 3.24Å; F453-R593 VanDerWaalsContact CD1-NH1 3.33Å; F453-I595 HydrophobicContact CB-CD1 4.49Å; F453-I595 HydrophobicContact CD1-CD1 4.38Å; F453-I595 HydrophobicContact CD1-CG1 4.26Å; F453-I595 HydrophobicContact CE1-CG1 4.23Å; F453-I595 HydrophobicContact CG-CD1 4.31Å; F453-I595 HydrophobicContact CG-CG1 4.41Å; F453-I595 HydrophobicContact CZ-CG1 4.39Å
454L95.1Very high95.4Very high0 Ų041.1 Ų41.10%023%0.229CC..Hα-helixtrans-55.3-49.2174-76.8161.8000111.9C450 L451 Y456 V457 Y458 I517 A530 I532 I595C450-L454 WeakPolarHBondContact O-CG 3.01Å; C450-L454 PolarHBondContact O-N 2.71Å; L451-L454 HydrophobicContact CD2-CD1 4.07Å; L451-L454 WeakPolarHBondContact O-CB 3.34Å; L451-L454 PolarHBondContact O-N 2.94Å; L454-Y456 VanDerWaalsContact C-N 3.29Å; L454-Y456 PolarHBondContact O-N 2.94Å; L454-V457 PolarHBondContact O-N 2.81Å; L454-Y458 HydrophobicContact CD2-CE2 3.99Å; L454-Y458 WeakPolarHBondContact O-CB 3.46Å; L454-Y458 PolarHBondContact O-N 3.33Å; L454-I517 HydrophobicContact CD1-CD1 3.81Å; L454-I517 HydrophobicContact CD1-CG1 3.87Å; L454-A530 HydrophobicContact CD2-CB 3.26Å; L454-I532 HydrophobicContact CD1-CD1 3.67Å; L454-I532 HydrophobicContact CD1-CG1 4.26Å; L454-I595 HydrophobicContact CD2-CB 4.43Å; L454-I595 HydrophobicContact CD2-CD1 3.54Å; L454-I595 HydrophobicContact CD2-CG2 4Å; L454-I595 HydrophobicContact CG-CD1 3.55Å
455R94.1Very high95.2Very high131 Ų13139.6 Ų39.649%0.49422%0.223SC..Hα-helixtrans-56.2-43.3177.8-73.2178.672.4162.83.7112.4L451 D452 F453 G459 F465L451-R455 WeakPolarHBondContact O-CG 3.37Å; L451-R455 PolarHBondContact O-N 3.14Å; D452-R455 PolarHBondContact O-N 3.48Å; F453-R455 VanDerWaalsContact C-N 3.35Å; F453-R455 PolarHBondContact O-N 3.15Å; R455-G459 PolarHBondContact O-N 3.4Å; R455-F465 HydrophobicContact CB-CE1 4.44Å; R455-F465 HydrophobicContact CG-CE1 3.71Å; R455-F465 HydrophobicContact CG-CZ 3.52Å
456Y96.8Very high95.1Very high90 Ų9038.2 Ų38.235%0.35321%0.212SC..Hα-helixtrans-63.5-52.9177.9177.8-96.3000111.8F330 E334 D452 F453 L454 G459 V460 R717F330-Y456 HydrophobicContact CE2-CE1 4.14Å; F330-Y456 HydrophobicContact CZ-CE1 4.32Å; E334-Y456 HydrophobicContact CG-CD1 4.36Å; E334-Y456 HydrophobicContact CG-CE1 3.84Å; E334-Y456 VanDerWaalsContact OE2-CE1 3.26Å; E334-Y456 WeakPolarHBondContact OE2-CE1 3.31Å; D452-Y456 PolarHBondContact O-N 3.1Å; D452-Y456 VanDerWaalsContact O-N 3.09Å; F453-Y456 PolarHBondContact O-N 3.49Å; L454-Y456 VanDerWaalsContact C-N 3.29Å; L454-Y456 PolarHBondContact O-N 2.94Å; Y456-G459 PolarHBondContact O-N 2.85Å; Y456-V460 HydrophobicContact CE1-CG2 4.1Å; Y456-V460 HydrophobicContact CE2-CG2 4.46Å; Y456-V460 WeakPolarHBondContact O-CG2 3.26Å; Y456-V460 PolarHBondContact O-N 3.32Å; Y456-R717 PolarHBondContact OH-NH1 3.26Å
457V97.3Very high95.1Very high0 Ų037.7 Ų37.70%021%0.21CC..Hα-helixtrans-65.6-45.5-174.6172.10000111.6F330 I331 F453 L454 G459 V460 F461 I595 L596F330-V457 HydrophobicContact CE1-CG1 4.02Å; F330-V457 HydrophobicContact CE1-CG2 4.5Å; F330-V457 HydrophobicContact CZ-CG1 4.43Å; F330-V457 HydrophobicContact CZ-CG2 4.28Å; I331-V457 HydrophobicContact CD1-CG1 4.49Å; I331-V457 HydrophobicContact CD1-CG2 3.96Å; F453-V457 HydrophobicContact CD2-CG2 3.6Å; F453-V457 HydrophobicContact CE2-CG2 3.31Å; F453-V457 HydrophobicContact CZ-CG2 4.4Å; F453-V457 PolarHBondContact O-N 3.24Å; L454-V457 PolarHBondContact O-N 2.81Å; V457-G459 VanDerWaalsContact C-N 3.34Å; V457-V460 WeakPolarHBondContact O-CB 3.48Å; V457-V460 PolarHBondContact O-N 3.44Å; V457-F461 HydrophobicContact CG1-CD2 4.12Å; V457-F461 HydrophobicContact CG1-CE2 3.57Å; V457-F461 HydrophobicContact CG1-CZ 4.36Å; V457-F461 WeakPolarHBondContact O-CD2 3.26Å; V457-F461 PolarHBondContact O-N 2.96Å; V457-I595 HydrophobicContact CB-CG2 3.63Å; V457-I595 HydrophobicContact CG1-CG2 3.67Å; V457-I595 HydrophobicContact CG2-CG2 3.82Å; V457-L596 HydrophobicContact CG1-CD2 3.87Å
458Y95.2Very high95.1Very high0 Ų038.8 Ų38.80%022%0.215CC..Hα-helixtrans-70.5-31.5177.9-69.6-11.4000112.4L454 V460 F461 G462 F463 F465 I517 I519 C529 A530 I595L454-Y458 HydrophobicContact CD2-CE2 3.99Å; L454-Y458 WeakPolarHBondContact O-CB 3.46Å; L454-Y458 PolarHBondContact O-N 3.33Å; Y458-V460 VanDerWaalsContact C-N 3.34Å; Y458-V460 PolarHBondContact O-N 3.07Å; Y458-F461 HydrophobicContact CD1-CD2 4.31Å; Y458-F461 CarbonylContact O-C 3.59Å; Y458-F461 PolarHBondContact O-N 3.01Å; Y458-F461 VanDerWaalsContact O-N 3.15Å; Y458-G462 PolarHBondContact O-N 3.35Å; Y458-F463 HydrophobicContact CG-CB 4.48Å; Y458-F463 PolarHBondContact O-N 2.98Å; Y458-F465 HydrophobicContact CD2-CB 4.09Å; Y458-F465 AromaticContact CD2-CD1 3.77Å; Y458-F465 HydrophobicContact CD2-CD1 3.77Å; Y458-F465 HydrophobicContact CD2-CG 4.16Å; Y458-F465 HydrophobicContact CE2-CB 4.37Å; Y458-I517 HydrophobicContact CE2-CG2 3.75Å; Y458-I519 HydrophobicContact CD2-CG2 3.61Å; Y458-I519 HydrophobicContact CE1-CG2 4.37Å; Y458-I519 HydrophobicContact CE2-CG2 3.34Å; Y458-I519 HydrophobicContact CG-CG2 4.22Å; Y458-C529 WeakPolarHBondContact OH-CB 3.36Å; Y458-A530 HydrophobicContact CE2-CB 4.45Å; Y458-A530 WeakPolarHBondContact OH-CB 3.33Å; Y458-A530 PolarHBondContact OH-N 3.47Å; Y458-I595 VanDerWaalsContact CE1-O 3.32Å; Y458-I595 WeakPolarHBondContact CE1-O 3.31Å; Y458-I595 VanDerWaalsContact CZ-O 3.32Å; Y458-I595 PolarHBondContact OH-O 2.7Å
459G94.6Very high95.1Very high49 Ų4934.6 Ų34.651%0.50520%0.197SC..Hα-helixtrans-59.3-41.9169.600000112.9R455 Y456 V457 F461 G462R455-G459 PolarHBondContact O-N 3.4Å; Y456-G459 PolarHBondContact O-N 2.85Å; V457-G459 VanDerWaalsContact C-N 3.34Å; G459-F461 VanDerWaalsContact C-N 3.25Å; G459-F461 PolarHBondContact O-N 3.48Å; G459-G462 PolarHBondContact O-N 2.83Å; G459-G462 VanDerWaalsContact O-N 3.07Å
460V96.7Very high95.1Very high21 Ų2132.5 Ų32.513%0.12718%0.182CC..Hα-helixtrans-61.1-34174.9170.80000112F330 Y456 V457 Y458 W617 R717F330-V460 HydrophobicContact CE1-CG1 4.48Å; F330-V460 HydrophobicContact CE2-CG1 4.45Å; F330-V460 HydrophobicContact CZ-CB 4.13Å; F330-V460 HydrophobicContact CZ-CG1 3.99Å; F330-V460 HydrophobicContact CZ-CG2 4.16Å; Y456-V460 HydrophobicContact CE1-CG2 4.1Å; Y456-V460 HydrophobicContact CE2-CG2 4.46Å; Y456-V460 WeakPolarHBondContact O-CG2 3.26Å; Y456-V460 PolarHBondContact O-N 3.32Å; V457-V460 WeakPolarHBondContact O-CB 3.48Å; V457-V460 PolarHBondContact O-N 3.44Å; Y458-V460 VanDerWaalsContact C-N 3.34Å; Y458-V460 PolarHBondContact O-N 3.07Å; V460-W617 HydrophobicContact CG1-CZ2 3.9Å; V460-R717 HydrophobicContact CG1-CB 4.09Å
461F95.4Very high95.1Very high2 Ų233.5 Ų33.51%0.00919%0.188CC..Hα-helixtrans-86.4-5176.3-59.4-44.6000114.3L327 F330 V457 Y458 G459 F463 L596 I602 L606 Y610 W617L327-F461 HydrophobicContact CD2-CE1 3.77Å; L327-F461 HydrophobicContact CD2-CZ 3.65Å; F330-F461 HydrophobicContact CD1-CZ 4.08Å; F330-F461 HydrophobicContact CE1-CE1 4.23Å; F330-F461 HydrophobicContact CE1-CE2 4.31Å; F330-F461 AromaticContact CE1-CZ 3.73Å; F330-F461 HydrophobicContact CE1-CZ 3.73Å; V457-F461 HydrophobicContact CG1-CD2 4.12Å; V457-F461 HydrophobicContact CG1-CE2 3.57Å; V457-F461 HydrophobicContact CG1-CZ 4.36Å; V457-F461 WeakPolarHBondContact O-CD2 3.26Å; V457-F461 PolarHBondContact O-N 2.96Å; Y458-F461 HydrophobicContact CD1-CD2 4.31Å; Y458-F461 CarbonylContact O-C 3.59Å; Y458-F461 PolarHBondContact O-N 3.01Å; Y458-F461 VanDerWaalsContact O-N 3.15Å; G459-F461 VanDerWaalsContact C-N 3.25Å; G459-F461 PolarHBondContact O-N 3.48Å; F461-F463 VanDerWaalsContact C-N 3.32Å; F461-F463 HydrophobicContact CB-CD2 3.55Å; F461-F463 HydrophobicContact CB-CE2 3.71Å; F461-F463 HydrophobicContact CB-CG 4.27Å; F461-F463 HydrophobicContact CD2-CD2 4.32Å; F461-F463 HydrophobicContact CD2-CE2 4.43Å; F461-F463 HydrophobicContact CG-CD2 4.37Å; F461-F463 HydrophobicContact CG-CE2 4.34Å; F461-L596 HydrophobicContact CE2-CD2 3.67Å; F461-L596 HydrophobicContact CZ-CD2 4.07Å; F461-I602 HydrophobicContact CE2-CG1 4.37Å; F461-L606 HydrophobicContact CB-CD2 3.97Å; F461-L606 HydrophobicContact CD1-CD1 4.31Å; F461-L606 HydrophobicContact CD1-CD2 3.81Å; F461-L606 HydrophobicContact CE1-CD1 4.1Å; F461-L606 HydrophobicContact CE1-CD2 4.42Å; F461-L606 HydrophobicContact CG-CD2 3.86Å; F461-L606 HydrophobicContact CZ-CD1 4.42Å; F461-Y610 PolarHBondContact O-OH 2.89Å; F461-W617 HydrophobicContact CD1-CZ2 4.12Å; F461-W617 AromaticContact CE1-CH2 3.76Å; F461-W617 HydrophobicContact CE1-CH2 3.76Å; F461-W617 AromaticContact CE1-CZ2 3.74Å; F461-W617 HydrophobicContact CE1-CZ2 3.74Å
462G93.1Very high95.1Very high53 Ų5335.5 Ų35.555%0.54620%0.195SC..THydrogen-bonded Turntrans73.221.7-175.100000114Y458 G459Y458-G462 PolarHBondContact O-N 3.35Å; G459-G462 PolarHBondContact O-N 2.83Å; G459-G462 VanDerWaalsContact O-N 3.07Å
463F92.7Very high95Very high22 Ų2233 Ų3310%0.09618%0.183CC..  trans-92.2140.4177.3-64.5-42.8000112.5Y458 F461 I519 I602 I605 L606 S609Y458-F463 HydrophobicContact CG-CB 4.48Å; Y458-F463 PolarHBondContact O-N 2.98Å; F461-F463 VanDerWaalsContact C-N 3.32Å; F461-F463 HydrophobicContact CB-CD2 3.55Å; F461-F463 HydrophobicContact CB-CE2 3.71Å; F461-F463 HydrophobicContact CB-CG 4.27Å; F461-F463 HydrophobicContact CD2-CD2 4.32Å; F461-F463 HydrophobicContact CD2-CE2 4.43Å; F461-F463 HydrophobicContact CG-CD2 4.37Å; F461-F463 HydrophobicContact CG-CE2 4.34Å; F463-I519 HydrophobicContact CB-CG2 4.3Å; F463-I519 HydrophobicContact CD2-CD1 3.89Å; F463-I519 HydrophobicContact CE2-CD1 3.99Å; F463-I519 HydrophobicContact CG-CD1 4.4Å; F463-I602 HydrophobicContact CE2-CD1 4.24Å; F463-I605 HydrophobicContact CE1-CG2 4.43Å; F463-I605 HydrophobicContact CE2-CG2 4.27Å; F463-I605 HydrophobicContact CZ-CG2 3.81Å; F463-L606 HydrophobicContact CE2-CD2 3.62Å; F463-L606 HydrophobicContact CE2-CG 4.44Å; F463-L606 HydrophobicContact CZ-CD2 3.75Å; F463-S609 WeakPolarHBondContact CE1-OG 3.16Å
464S90.3Very high94.7Very high82 Ų8242.3 Ų42.357%0.57323%0.227SC*.  trans-95.6160.1158.3610000109.3
465F92.5Very high94.4Very high45 Ų4550.3 Ų50.320%0.19726%0.262CS..EExtended strand (participates in β ladder)trans-139.7152.2-179.561.8-92.5000112.3R455 Y458 L467 L499 I517 N518 I519R455-F465 HydrophobicContact CB-CE1 4.44Å; R455-F465 HydrophobicContact CG-CE1 3.71Å; R455-F465 HydrophobicContact CG-CZ 3.52Å; Y458-F465 HydrophobicContact CD2-CB 4.09Å; Y458-F465 AromaticContact CD2-CD1 3.77Å; Y458-F465 HydrophobicContact CD2-CD1 3.77Å; Y458-F465 HydrophobicContact CD2-CG 4.16Å; Y458-F465 HydrophobicContact CE2-CB 4.37Å; F465-L467 HydrophobicContact CD2-CD2 3.69Å; F465-L467 HydrophobicContact CD2-CG 4.02Å; F465-L467 HydrophobicContact CE2-CD1 4.22Å; F465-L467 HydrophobicContact CE2-CD2 3.68Å; F465-L467 HydrophobicContact CE2-CG 3.9Å; F465-L499 HydrophobicContact CE2-CD1 4.39Å; F465-L499 HydrophobicContact CZ-CD1 4.43Å; F465-I517 HydrophobicContact CB-CG2 3.65Å; F465-I517 HydrophobicContact CD2-CG2 3.82Å; F465-I517 HydrophobicContact CG-CG2 3.88Å; F465-N518 CarbonylContact C-O 3.59Å; F465-N518 VanDerWaalsContact CA-O 3.22Å; F465-N518 WeakPolarHBondContact CA-O 3.35Å; F465-I519 HydrophobicContact CB-CG2 4.08Å
466E93.6Very high94.3Very high77 Ų7747.7 Ų47.736%0.3625%0.252SS..EExtended strand (participates in β ladder)trans-107.7141.5171.8-64178.1155.900109Y468 N518 R526E466-Y468 HydrophobicContact CB-CD2 4.4Å; E466-Y468 HydrophobicContact CB-CE2 3.59Å; E466-Y468 PolarHBondContact OE2-OH 2.88Å; E466-N518 PolarHBondContact N-O 2.7Å; E466-N518 PolarHBondContact O-N 2.97Å; E466-R526 IonicContact OE1-NH2 3.77Å; E466-R526 PolarHBondContact OE1-NH2 3.31Å; E466-R526 IonicContact OE2-CZ 2.74Å; E466-R526 IonicContact OE2-NE 3.6Å; E466-R526 PolarHBondContact OE2-NE 2.96Å; E466-R526 VanDerWaalsContact OE2-NE 3.1Å; E466-R526 IonicContact OE2-NH2 2.75Å; E466-R526 PolarHBondContact OE2-NH2 3.04Å
467L96Very high94.1Very high5 Ų544.3 Ų44.33%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-106132.4179.4-62.1177.7000110.3L451 F465 L494 L499 W501 E502 I515 I517L451-L467 HydrophobicContact CD2-CD1 4.11Å; L451-L467 HydrophobicContact CD2-CD2 4.02Å; F465-L467 HydrophobicContact CD2-CD2 3.69Å; F465-L467 HydrophobicContact CD2-CG 4.02Å; F465-L467 HydrophobicContact CE2-CD1 4.22Å; F465-L467 HydrophobicContact CE2-CD2 3.68Å; F465-L467 HydrophobicContact CE2-CG 3.9Å; L467-L494 HydrophobicContact CD1-CD2 3.93Å; L467-L499 HydrophobicContact CD1-CB 3.78Å; L467-L499 HydrophobicContact CD1-CD1 3.88Å; L467-L499 HydrophobicContact CD1-CG 4.49Å; L467-W501 HydrophobicContact CB-CB 3.83Å; L467-W501 CarbonylContact O-C 3.22Å; L467-W501 WeakPolarHBondContact O-CA 3.32Å; L467-W501 WeakPolarHBondContact O-CB 3.46Å; L467-E502 PolarHBondContact O-N 2.9Å; L467-I515 HydrophobicContact CB-CG2 4.44Å; L467-I515 HydrophobicContact CD2-CG2 3.97Å; L467-I517 HydrophobicContact CD2-CB 4.43Å; L467-I517 HydrophobicContact CD2-CG1 3.61Å; L467-I517 HydrophobicContact CD2-CG2 4.29Å
468Y96.1Very high93.9Very high23 Ų2345.9 Ų45.99%0.0926%0.257CS..EExtended strand (participates in β ladder)trans-124.6127.1176.1-64.6-94.9000110.2E466 S470 E502 N504 I515 D516 N518E466-Y468 HydrophobicContact CB-CD2 4.4Å; E466-Y468 HydrophobicContact CB-CE2 3.59Å; E466-Y468 PolarHBondContact OE2-OH 2.88Å; Y468-S470 PolarHBondContact O-N 3.46Å; Y468-E502 CarbonylContact C-O 3.57Å; Y468-E502 VanDerWaalsContact CA-O 3.22Å; Y468-E502 WeakPolarHBondContact CA-O 3.46Å; Y468-E502 HydrophobicContact CD1-CB 3.89Å; Y468-E502 HydrophobicContact CE1-CB 3.91Å; Y468-N504 HydrophobicContact CD1-CB 4.39Å; Y468-I515 CarbonylContact O-C 3.56Å; Y468-I515 VanDerWaalsContact O-CA 3.32Å; Y468-I515 WeakPolarHBondContact O-CA 3.43Å; Y468-D516 PolarHBondContact N-O 3.25Å; Y468-D516 PolarHBondContact O-N 2.86Å; Y468-N518 HydrophobicContact CD2-CB 4.43Å; Y468-N518 HydrophobicContact CE2-CB 4.03Å; Y468-N518 VanDerWaalsContact CE2-ND2 3.28Å; Y468-N518 WeakPolarHBondContact CE2-ND2 3.37Å
469L97.2Very high93.8Very high5 Ų552.1 Ų52.13%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-86.4105.2171.8178.260.6000109T471 L490 K491 L494 W501 E502 L503 N504L469-T471 HydrophobicContact CG-CG2 4.46Å; L469-L490 HydrophobicContact CD1-CB 3.76Å; L469-L490 HydrophobicContact CD1-CD1 4.16Å; L469-K491 HydrophobicContact CD2-CB 3.83Å; L469-K491 HydrophobicContact CD2-CG 4.24Å; L469-L494 HydrophobicContact CB-CD1 3.92Å; L469-L494 HydrophobicContact CD1-CD1 4.22Å; L469-L494 HydrophobicContact CG-CD1 4.44Å; L469-W501 HydrophobicContact CB-CE3 3.76Å; L469-W501 HydrophobicContact CB-CZ3 3.78Å; L469-W501 HydrophobicContact CD2-CH2 4.09Å; L469-W501 HydrophobicContact CD2-CZ3 3.92Å; L469-E502 PolarHBondContact N-O 2.82Å; L469-L503 HydrophobicContact CB-CD1 4.38Å; L469-L503 HydrophobicContact CD2-CD1 4.23Å; L469-L503 HydrophobicContact CG-CD1 4.32Å; L469-N504 PolarHBondContact O-N 3.42Å
470S97Very high93.8Very high0 Ų053.5 Ų53.50%028%0.28CS..EExtended strand (participates in β ladder)trans-96.2113.2-179-61.50000111.1Y468 N504 P513 K514 D516Y468-S470 PolarHBondContact O-N 3.46Å; S470-N504 VanDerWaalsContact CA-O 3.27Å; S470-N504 WeakPolarHBondContact CA-O 3.37Å; S470-N504 PolarHBondContact OG-ND2 3.38Å; S470-N504 VanDerWaalsContact OG-ND2 3.15Å; S470-P513 WeakPolarHBondContact O-CA 3.46Å; S470-K514 PolarHBondContact N-O 2.94Å; S470-K514 PolarHBondContact O-N 3.04Å; S470-D516 WeakPolarHBondContact CB-OD2 3.3Å; S470-D516 PolarHBondContact OG-OD2 2.79Å
471T96.1Very high93.7Very high21 Ų2157.8 Ų57.813%0.12930%0.299CS..  trans-93.4176.2-173.865.10000112.4L469 E487 L503 P505 G506 D507 G508L469-T471 HydrophobicContact CG-CG2 4.46Å; T471-E487 VanDerWaalsContact CB-OE1 3.29Å; T471-E487 WeakPolarHBondContact CB-OE1 3.4Å; T471-E487 HydrophobicContact CG2-CG 4.25Å; T471-L503 HydrophobicContact CG2-CD1 3.85Å; T471-P505 WeakPolarHBondContact OG1-CA 3.35Å; T471-G506 CarbonylContact O-C 3.52Å; T471-G506 PolarHBondContact O-N 2.8Å; T471-G506 PolarHBondContact OG1-N 3.39Å; T471-D507 PolarHBondContact O-N 3.4Å; T471-G508 WeakPolarHBondContact O-CA 3.01Å; T471-G508 PolarHBondContact O-N 2.88Å
472R95.4Very high93.6Very high42 Ų4259 Ų5916%0.15831%0.305CS..  trans-49.1130.6-172.474.6-159.175.1-173.611.7114.4Y476 I480 W483 D484 E487 G506R472-Y476 HydrophobicContact CB-CD1 4.47Å; R472-Y476 HydrophobicContact CB-CG 4.38Å; R472-Y476 HydrophobicContact CG-CD1 4.41Å; R472-I480 VanDerWaalsContact NH1-CG1 3.26Å; R472-I480 PolarHBondContact NH1-O 3.2Å; R472-W483 HydrophobicContact CB-CD2 3.75Å; R472-W483 HydrophobicContact CB-CE3 3.38Å; R472-W483 HydrophobicContact CB-CG 4.41Å; R472-W483 HydrophobicContact CB-CH2 3.92Å; R472-W483 HydrophobicContact CB-CZ2 4.31Å; R472-W483 HydrophobicContact CB-CZ3 3.46Å; R472-W483 VanDerWaalsContact CB-CZ3 3.46Å; R472-W483 VanDerWaalsContact CZ-CB 3.47Å; R472-D484 IonicContact CZ-OD1 3.88Å; R472-D484 IonicContact NH1-OD1 3.92Å; R472-D484 PolarHBondContact NH1-OD1 3.16Å; R472-D484 IonicContact NH2-OD1 2.65Å; R472-D484 PolarHBondContact NH2-OD1 2.87Å; R472-E487 WeakPolarHBondContact CB-OE1 3.43Å; R472-E487 IonicContact CZ-OE1 3.79Å; R472-E487 IonicContact CZ-OE2 2.82Å; R472-E487 PolarHBondContact N-OE1 2.65Å; R472-E487 IonicContact NE-OE1 2.71Å; R472-E487 PolarHBondContact NE-OE1 3.41Å; R472-E487 IonicContact NE-OE2 3.64Å; R472-E487 IonicContact NH2-OE1 2.89Å; R472-E487 PolarHBondContact NH2-OE1 3.49Å; R472-E487 IonicContact NH2-OE2 3.03Å; R472-E487 PolarHBondContact NH2-OE2 3.3Å; R472-G506 WeakPolarHBondContact O-CA 3.28Å
473P93.5Very high93.7Very high23 Ų2356.7 Ų56.715%0.14928%0.28CS..  trans-74.3167.6171.832.4-36000111.5K475 Y476 G506P473-K475 VanDerWaalsContact C-N 3.28Å; P473-K475 PolarHBondContact O-N 3.12Å; P473-Y476 WeakPolarHBondContact O-CB 3.22Å; P473-Y476 VanDerWaalsContact O-CD1 3.29Å; P473-Y476 WeakPolarHBondContact O-CD1 3.41Å; P473-Y476 PolarHBondContact O-N 3.26Å; P473-G506 WeakPolarHBondContact CA-O 3.27Å; P473-G506 WeakPolarHBondContact CB-O 3.45Å
474E90.4Very high93.9Very high197 Ų19759.5 Ų59.592%0.92130%0.296SS*.THydrogen-bonded Turntrans-58.8-37.1177.5-67.6-176.9170.400113.2Y476E474-Y476 PolarHBondContact O-N 3.38Å
475K88.8Confident94Very high169 Ų16961.9 Ų61.974%0.73529%0.292SS*.THydrogen-bonded Turntrans-98.240.9179.2-61.9-177.5-179.5178.30112.2H362 P473H362-K475 PolarHBondContact CE1-O 3.2Å; H362-K475 PolarHBondContact ND1-O 2.98Å; P473-K475 VanDerWaalsContact C-N 3.28Å; P473-K475 PolarHBondContact O-N 3.12Å
476Y92.2Very high94.1Very high75 Ų7559.8 Ų59.829%0.29428%0.284SS..  trans-65.8159.3175.273.8-86.8000111.5R472 P473 E474 G478 W483R472-Y476 HydrophobicContact CB-CD1 4.47Å; R472-Y476 HydrophobicContact CB-CG 4.38Å; R472-Y476 HydrophobicContact CG-CD1 4.41Å; P473-Y476 WeakPolarHBondContact O-CB 3.22Å; P473-Y476 VanDerWaalsContact O-CD1 3.29Å; P473-Y476 WeakPolarHBondContact O-CD1 3.41Å; P473-Y476 PolarHBondContact O-N 3.26Å; E474-Y476 PolarHBondContact O-N 3.38Å; Y476-G478 VanDerWaalsContact CE2-O 3.28Å; Y476-G478 WeakPolarHBondContact CE2-O 3.41Å; Y476-W483 AromaticContact CD2-CD1 3.46Å; Y476-W483 VanDerWaalsContact CD2-CD1 3.46Å; Y476-W483 HydrophobicContact CD2-CG 4.24Å; Y476-W483 AromaticContact CD2-NE1 3.33Å; Y476-W483 VanDerWaalsContact CD2-NE1 3.33Å; Y476-W483 AromaticContact CE2-CD1 3.86Å
477M92.7Very high94.3Very high19 Ų1957.6 Ų57.69%0.09427%0.274CS..  trans-112.5154.5174.364158.1-65.900112.3W483 F510 Q537 R541M477-W483 PolarHBondContact O-NE1 3.41Å; M477-F510 HydrophobicContact CG-CD2 3.86Å; M477-F510 HydrophobicContact CG-CE2 4.42Å; M477-F510 WeakPolarHBondContact CG-O 3.33Å; M477-F510 PolarHBondContact N-O 2.86Å; M477-F510 HydrophobicContact SD-CD2 3.89Å; M477-F510 HydrophobicContact SD-CE2 3.84Å; M477-Q537 HydrophobicContact CE-CB 3.68Å; M477-Q537 HydrophobicContact CE-CG 3.95Å; M477-Q537 HydrophobicContact CG-CG 4.2Å; M477-Q537 PolarHBondContact O-NE2 3.09Å; M477-Q537 HydrophobicContact SD-CB 4.08Å; M477-Q537 HydrophobicContact SD-CG 4.29Å; M477-R541 HydrophobicContact CE-CG 4.26Å; M477-R541 PolarHBondContact SD-NH1 3.4Å
478G92.3Very high94.2Very high34 Ų3463.6 Ų63.635%0.35130%0.299SS..SBendtrans75.9-176.118000000114.5Y476Y476-G478 VanDerWaalsContact CE2-O 3.28Å; Y476-G478 WeakPolarHBondContact CE2-O 3.41Å
479E94Very high94.1Very high130 Ų13064.3 Ų64.361%0.60730%0.304SS*.  trans-73.2145.7-170-58.1-52.413700114E481 M482 W483E479-E481 VanDerWaalsContact C-N 3.32Å; E479-E481 PolarHBondContact O-N 3.08Å; E479-M482 WeakPolarHBondContact O-CB 3.45Å; E479-M482 PolarHBondContact O-N 3.5Å; E479-W483 PolarHBondContact O-N 3.05Å
480I94.2Very high94Very high78 Ų7864.1 Ų64.140%0.430%0.302SS..Hα-helixtrans-64.9-35.5-176.9-161.2167.3000112.3R472 M482 W483 D484R472-I480 VanDerWaalsContact NH1-CG1 3.26Å; R472-I480 PolarHBondContact NH1-O 3.2Å; I480-M482 VanDerWaalsContact C-N 3.26Å; I480-M482 PolarHBondContact O-N 2.95Å; I480-W483 WeakPolarHBondContact O-CB 3.49Å; I480-W483 PolarHBondContact O-N 3.19Å; I480-D484 VanDerWaalsContact O-CG 3.29Å; I480-D484 PolarHBondContact O-N 2.86Å
481E95.1Very high94Very high112 Ų11268.3 Ų68.352%0.52332%0.321SS..Hα-helixtrans-68.1-28.3179.2-59.683.3176.800111.8E479 R485E479-E481 VanDerWaalsContact C-N 3.32Å; E479-E481 PolarHBondContact O-N 3.08Å; E481-R485 VanDerWaalsContact O-CG 3.31Å; E481-R485 WeakPolarHBondContact O-CG 3.47Å; E481-R485 PolarHBondContact O-N 3.4Å; E481-R485 PolarHBondContact O-NE 3.23Å
482M92.6Very high93.9Very high28 Ų2870.5 Ų70.514%0.13833%0.33CS..Hα-helixtrans-71.9-40.5174.8-168.7157.475.200111E479 I480 R485 A486 F536 Q537E479-M482 WeakPolarHBondContact O-CB 3.45Å; E479-M482 PolarHBondContact O-N 3.5Å; I480-M482 VanDerWaalsContact C-N 3.26Å; I480-M482 PolarHBondContact O-N 2.95Å; M482-R485 PolarHBondContact O-N 2.82Å; M482-A486 WeakPolarHBondContact O-CB 3.26Å; M482-A486 PolarHBondContact O-N 3.18Å; M482-F536 HydrophobicContact CE-CB 3.8Å; M482-F536 HydrophobicContact CG-CB 3.74Å; M482-F536 HydrophobicContact CG-CG 4.09Å; M482-F536 HydrophobicContact SD-CB 3.42Å; M482-F536 WeakPolarHBondContact SD-CB 3.42Å; M482-F536 HydrophobicContact SD-CG 4.25Å; M482-Q537 HydrophobicContact CE-CG 4.04Å; M482-Q537 VanDerWaalsContact CE-OE1 3.28Å
483W95.4Very high93.9Very high4 Ų468.6 Ų68.62%0.01532%0.323CS..Hα-helixtrans-63.5-44.1172.8-86.296.1000112.8R472 Y476 M477 E479 I480 R485 A486 E487 A509 F510 G512 P513R472-W483 HydrophobicContact CB-CD2 3.75Å; R472-W483 HydrophobicContact CB-CE3 3.38Å; R472-W483 HydrophobicContact CB-CG 4.41Å; R472-W483 HydrophobicContact CB-CH2 3.92Å; R472-W483 HydrophobicContact CB-CZ2 4.31Å; R472-W483 HydrophobicContact CB-CZ3 3.46Å; R472-W483 VanDerWaalsContact CB-CZ3 3.46Å; R472-W483 VanDerWaalsContact CZ-CB 3.47Å; Y476-W483 AromaticContact CD2-CD1 3.46Å; Y476-W483 VanDerWaalsContact CD2-CD1 3.46Å; Y476-W483 HydrophobicContact CD2-CG 4.24Å; Y476-W483 AromaticContact CD2-NE1 3.33Å; Y476-W483 VanDerWaalsContact CD2-NE1 3.33Å; Y476-W483 AromaticContact CE2-CD1 3.86Å; M477-W483 PolarHBondContact O-NE1 3.41Å; E479-W483 PolarHBondContact O-N 3.05Å; I480-W483 WeakPolarHBondContact O-CB 3.49Å; I480-W483 PolarHBondContact O-N 3.19Å; W483-R485 VanDerWaalsContact C-N 3.26Å; W483-R485 PolarHBondContact O-N 3.28Å; W483-A486 PolarHBondContact O-N 2.93Å; W483-E487 HydrophobicContact CE3-CG 4.38Å; W483-E487 WeakPolarHBondContact O-CB 3.1Å; W483-E487 WeakPolarHBondContact O-CG 3.43Å; W483-E487 PolarHBondContact O-N 3.02Å; W483-A509 WeakPolarHBondContact CH2-O 2.87Å; W483-F510 WeakPolarHBondContact CZ2-O 3.48Å; W483-G512 WeakPolarHBondContact CH2-O 3.5Å; W483-G512 VanDerWaalsContact CZ2-N 3.35Å; W483-P513 HydrophobicContact CE3-CB 4.35Å; W483-P513 HydrophobicContact CE3-CG 4.32Å; W483-P513 HydrophobicContact CZ3-CB 3.88Å; W483-P513 HydrophobicContact CZ3-CG 4.18Å
484D96.2Very high93.9Very high80 Ų8067.5 Ų67.543%0.42832%0.316SS..Hα-helixtrans-56.6-42.7175.6-68.9-15.4000111.4R472 I480 K488R472-D484 IonicContact CZ-OD1 3.88Å; R472-D484 IonicContact NH1-OD1 3.92Å; R472-D484 PolarHBondContact NH1-OD1 3.16Å; R472-D484 IonicContact NH2-OD1 2.65Å; R472-D484 PolarHBondContact NH2-OD1 2.87Å; I480-D484 VanDerWaalsContact O-CG 3.29Å; I480-D484 PolarHBondContact O-N 2.86Å; D484-K488 WeakPolarHBondContact O-CB 2.94Å; D484-K488 PolarHBondContact O-N 3.02Å; D484-K488 VanDerWaalsContact O-N 3.09Å
485R93.6Very high94.1Very high132 Ų13261.8 Ų61.850%0.49829%0.291SS..Hα-helixtrans-66.6-45.9176.4-73.2-174.6-66.6163.80.9112.3E481 M482 W483 K488 Q489E481-R485 VanDerWaalsContact O-CG 3.31Å; E481-R485 WeakPolarHBondContact O-CG 3.47Å; E481-R485 PolarHBondContact O-N 3.4Å; E481-R485 PolarHBondContact O-NE 3.23Å; M482-R485 PolarHBondContact O-N 2.82Å; W483-R485 VanDerWaalsContact C-N 3.26Å; W483-R485 PolarHBondContact O-N 3.28Å; R485-K488 PolarHBondContact O-N 3.48Å; R485-Q489 WeakPolarHBondContact O-CG 3.31Å; R485-Q489 PolarHBondContact O-N 2.9Å
486A94.3Very high94.2Very high2 Ų259.5 Ų59.52%0.01728%0.283CS..Hα-helixtrans-64-45.8-179.700000112.4M482 W483 K488 Q489 L490 P513 L534 F536M482-A486 WeakPolarHBondContact O-CB 3.26Å; M482-A486 PolarHBondContact O-N 3.18Å; W483-A486 PolarHBondContact O-N 2.93Å; A486-K488 VanDerWaalsContact C-N 3.35Å; A486-K488 PolarHBondContact O-N 3.2Å; A486-Q489 PolarHBondContact O-N 3.38Å; A486-L490 PolarHBondContact O-N 2.98Å; A486-P513 HydrophobicContact CB-CG 3.66Å; A486-L534 HydrophobicContact CB-CD2 4.28Å; A486-F536 HydrophobicContact CB-CD2 3.79Å; A486-F536 HydrophobicContact CB-CE2 3.53Å
487E96.4Very high94.1Very high31 Ų3157.5 Ų57.515%0.14528%0.279CS..Hα-helixtrans-63-42.2177.3-73.9177.6-171.300111.4T471 R472 W483 Q489 L490 K491 P513T471-E487 VanDerWaalsContact CB-OE1 3.29Å; T471-E487 WeakPolarHBondContact CB-OE1 3.4Å; T471-E487 HydrophobicContact CG2-CG 4.25Å; R472-E487 WeakPolarHBondContact CB-OE1 3.43Å; R472-E487 IonicContact CZ-OE1 3.79Å; R472-E487 IonicContact CZ-OE2 2.82Å; R472-E487 PolarHBondContact N-OE1 2.65Å; R472-E487 IonicContact NE-OE1 2.71Å; R472-E487 PolarHBondContact NE-OE1 3.41Å; R472-E487 IonicContact NE-OE2 3.64Å; R472-E487 IonicContact NH2-OE1 2.89Å; R472-E487 PolarHBondContact NH2-OE1 3.49Å; R472-E487 IonicContact NH2-OE2 3.03Å; R472-E487 PolarHBondContact NH2-OE2 3.3Å; W483-E487 HydrophobicContact CE3-CG 4.38Å; W483-E487 WeakPolarHBondContact O-CB 3.1Å; W483-E487 WeakPolarHBondContact O-CG 3.43Å; W483-E487 PolarHBondContact O-N 3.02Å; E487-Q489 PolarHBondContact O-N 3.25Å; E487-L490 PolarHBondContact O-N 3.45Å; E487-K491 WeakPolarHBondContact O-CB 3.34Å; E487-K491 PolarHBondContact O-N 3.45Å; E487-P513 HydrophobicContact CG-CB 3.77Å; E487-P513 HydrophobicContact CG-CG 3.99Å
488K95.5Very high93.8Very high131 Ų13159.7 Ų59.757%0.5731%0.306SS*.Hα-helixtrans-59.7-45.5174.6-179.5178.7172.7-178.20111.7D484 R485 A486 K491 E492D484-K488 WeakPolarHBondContact O-CB 2.94Å; D484-K488 PolarHBondContact O-N 3.02Å; D484-K488 VanDerWaalsContact O-N 3.09Å; R485-K488 PolarHBondContact O-N 3.48Å; A486-K488 VanDerWaalsContact C-N 3.35Å; A486-K488 PolarHBondContact O-N 3.2Å; K488-K491 PolarHBondContact O-N 3.02Å; K488-E492 WeakPolarHBondContact CE-OE1 3.35Å; K488-E492 HydrophobicContact CG-CG 4.49Å; K488-E492 IonicContact NZ-OE1 3.36Å; K488-E492 WeakPolarHBondContact O-CG 3.22Å; K488-E492 PolarHBondContact O-N 3.17Å
489Q94Very high93.7Very high38 Ų3860.1 Ų60.118%0.17830%0.3CS..Hα-helixtrans-64.8-42.1-180-77.2-178.8-11.200113R485 A486 E487 S493 L534R485-Q489 WeakPolarHBondContact O-CG 3.31Å; R485-Q489 PolarHBondContact O-N 2.9Å; A486-Q489 PolarHBondContact O-N 3.38Å; E487-Q489 PolarHBondContact O-N 3.25Å; Q489-S493 WeakPolarHBondContact O-CB 3.23Å; Q489-S493 PolarHBondContact O-N 2.98Å; Q489-S493 PolarHBondContact O-OG 3.29Å; Q489-L534 HydrophobicContact CB-CD2 4.11Å
490L95Very high93.7Very high0 Ų061.8 Ų61.80%031%0.305CS..Hα-helixtrans-64.3-43.4174.5-75.9-175.3000111.7I447 L469 A486 E487 S493 L494 P513 I515 L534I447-L490 HydrophobicContact CD1-CD2 3.69Å; I447-L490 HydrophobicContact CG1-CD2 4.13Å; L469-L490 HydrophobicContact CD1-CB 3.76Å; L469-L490 HydrophobicContact CD1-CD1 4.16Å; A486-L490 PolarHBondContact O-N 2.98Å; E487-L490 PolarHBondContact O-N 3.45Å; L490-S493 PolarHBondContact O-N 2.9Å; L490-L494 WeakPolarHBondContact O-CG 3.17Å; L490-L494 PolarHBondContact O-N 3.33Å; L490-P513 HydrophobicContact CD1-CB 3.88Å; L490-P513 HydrophobicContact CD1-CG 3.79Å; L490-I515 HydrophobicContact CD1-CG1 4.48Å; L490-I515 HydrophobicContact CD2-CD1 4.06Å; L490-I515 HydrophobicContact CD2-CG1 4.27Å; L490-L534 HydrophobicContact CD1-CB 4.01Å; L490-L534 HydrophobicContact CD2-CB 4Å; L490-L534 HydrophobicContact CD2-CD2 4.24Å; L490-L534 HydrophobicContact CG-CB 3.97Å; L490-L534 HydrophobicContact CG-CD2 4.02Å
491K95.9Very high93.8Very high89 Ų8960.8 Ų60.839%0.38730%0.296SS..Hα-helixtrans-58-50.1176-172.9-173.1178.3-61.10111.7L469 E487 K488 S493 L494 D495 W501L469-K491 HydrophobicContact CD2-CB 3.83Å; L469-K491 HydrophobicContact CD2-CG 4.24Å; E487-K491 WeakPolarHBondContact O-CB 3.34Å; E487-K491 PolarHBondContact O-N 3.45Å; K488-K491 PolarHBondContact O-N 3.02Å; K491-S493 VanDerWaalsContact C-N 3.3Å; K491-S493 PolarHBondContact O-N 3.34Å; K491-L494 PolarHBondContact O-N 2.95Å; K491-D495 IonicContact NZ-OD2 3.04Å; K491-D495 PolarHBondContact NZ-OD2 3.34Å; K491-D495 VanDerWaalsContact O-CG 3.25Å; K491-D495 PolarHBondContact O-N 3.21Å; K491-W501 HydrophobicContact CD-CH2 4.31Å; K491-W501 HydrophobicContact CD-CZ2 4.39Å; K491-W501 HydrophobicContact CG-CH2 3.9Å; K491-W501 HydrophobicContact CG-CZ2 3.7Å
492E95.1Very high93.8Very high67 Ų6758.8 Ų58.831%0.31329%0.287SS..Hα-helixtrans-61.3-39.8178.4-73.7179.7-171.300112K444 K488 D495 E496K444-E492 WeakPolarHBondContact CE-OE2 3.23Å; K444-E492 IonicContact NZ-OE2 2.82Å; K444-E492 PolarHBondContact NZ-OE2 2.93Å; K488-E492 WeakPolarHBondContact CE-OE1 3.35Å; K488-E492 HydrophobicContact CG-CG 4.49Å; K488-E492 IonicContact NZ-OE1 3.36Å; K488-E492 WeakPolarHBondContact O-CG 3.22Å; K488-E492 PolarHBondContact O-N 3.17Å; E492-D495 PolarHBondContact O-N 3.03Å; E492-E496 WeakPolarHBondContact O-CB 3.44Å; E492-E496 PolarHBondContact O-N 3.43Å
493S94.4Very high93.9Very high2 Ų262.3 Ų62.31%0.01431%0.306CS..Hα-helixtrans-63.8-42.4177-55.90000111.8Q489 L490 K491 V497Q489-S493 WeakPolarHBondContact O-CB 3.23Å; Q489-S493 PolarHBondContact O-N 2.98Å; Q489-S493 PolarHBondContact O-OG 3.29Å; L490-S493 PolarHBondContact O-N 2.9Å; K491-S493 VanDerWaalsContact C-N 3.3Å; K491-S493 PolarHBondContact O-N 3.34Å; S493-V497 WeakPolarHBondContact O-CG2 3.35Å; S493-V497 PolarHBondContact O-N 3.37Å
494L94.3Very high93.8Very high0 Ų064.8 Ų64.80%032%0.319CS..Hα-helixtrans-63.7-45.3175.7-76.8170.7000112L451 L467 L469 L490 K491 E496 V497 G498 W501 I515L451-L494 HydrophobicContact CD1-CD2 4.39Å; L467-L494 HydrophobicContact CD1-CD2 3.93Å; L469-L494 HydrophobicContact CB-CD1 3.92Å; L469-L494 HydrophobicContact CD1-CD1 4.22Å; L469-L494 HydrophobicContact CG-CD1 4.44Å; L490-L494 WeakPolarHBondContact O-CG 3.17Å; L490-L494 PolarHBondContact O-N 3.33Å; K491-L494 PolarHBondContact O-N 2.95Å; L494-E496 VanDerWaalsContact C-N 3.33Å; L494-E496 PolarHBondContact O-N 3.45Å; L494-V497 PolarHBondContact O-N 2.98Å; L494-G498 PolarHBondContact O-N 2.85Å; L494-W501 HydrophobicContact CB-CD2 4.49Å; L494-W501 HydrophobicContact CB-CG 4.13Å; L494-W501 HydrophobicContact CD1-CB 4.33Å; L494-W501 HydrophobicContact CD1-CD2 4.02Å; L494-W501 HydrophobicContact CD1-CE3 4.4Å; L494-W501 HydrophobicContact CD1-CG 3.98Å; L494-W501 HydrophobicContact CD2-CB 4.49Å; L494-W501 HydrophobicContact CG-CG 4.48Å; L494-I515 HydrophobicContact CD1-CD1 4.4Å; L494-I515 HydrophobicContact CD1-CG1 4.16Å; L494-I515 HydrophobicContact CD2-CD1 3.8Å; L494-I515 HydrophobicContact CD2-CG1 4.22Å; L494-I515 HydrophobicContact CD2-CG2 4.12Å; L494-I515 HydrophobicContact CG-CD1 3.97Å; L494-I515 HydrophobicContact CG-CG1 4.28Å
495D94.3Very high93.7Very high77 Ų7765.3 Ų65.341%0.41233%0.327SS..Hα-helixtrans-62.9-39.6179.4-70.1-21.3000111.6K491 E492 G498 W501K491-D495 IonicContact NZ-OD2 3.04Å; K491-D495 PolarHBondContact NZ-OD2 3.34Å; K491-D495 VanDerWaalsContact O-CG 3.25Å; K491-D495 PolarHBondContact O-N 3.21Å; E492-D495 PolarHBondContact O-N 3.03Å; D495-G498 PolarHBondContact O-N 3.37Å; D495-W501 WeakPolarHBondContact OD1-CZ2 3.3Å; D495-W501 PolarHBondContact OD1-NE1 3.43Å
496E91.6Very high93.7Very high121 Ų12160.8 Ų60.857%0.56532%0.321SS*.Hα-helixtrans-68.7-36.5-179.8-173.7174.8163.400113.2E492 L494 G498E492-E496 WeakPolarHBondContact O-CB 3.44Å; E492-E496 PolarHBondContact O-N 3.43Å; L494-E496 VanDerWaalsContact C-N 3.33Å; L494-E496 PolarHBondContact O-N 3.45Å; E496-G498 PolarHBondContact O-N 2.82Å
497V89.7Confident93.6Very high33 Ų3364.1 Ų64.120%0.234%0.339CS..Hα-helixtrans-69-20.1177.6-178.70000110.9K448 L451 S493 L494 L499K448-V497 HydrophobicContact CB-CG2 4.16Å; K448-V497 HydrophobicContact CG-CG2 4.17Å; L451-V497 HydrophobicContact CD1-CB 4.2Å; L451-V497 HydrophobicContact CD1-CG1 4.1Å; L451-V497 HydrophobicContact CD1-CG2 3.75Å; S493-V497 WeakPolarHBondContact O-CG2 3.35Å; S493-V497 PolarHBondContact O-N 3.37Å; L494-V497 PolarHBondContact O-N 2.98Å; V497-L499 VanDerWaalsContact C-N 3.28Å; V497-L499 HydrophobicContact CG1-CD1 3.79Å; V497-L499 HydrophobicContact CG1-CG 3.92Å; V497-L499 PolarHBondContact O-N 3.46Å
498G86.9Confident93.5Very high64 Ų6463 Ų6366%0.6634%0.337SS*.THydrogen-bonded Turntrans73.216.9175.200000114.3L494 D495 E496L494-G498 PolarHBondContact O-N 2.85Å; D495-G498 PolarHBondContact O-N 3.37Å; E496-G498 PolarHBondContact O-N 2.82Å
499L89.3Confident93.3Very high43 Ų4357.7 Ų57.723%0.22532%0.317CS..  trans-86143.1173.1-67.3172.4000110.1F465 L467 V497 W501F465-L499 HydrophobicContact CE2-CD1 4.39Å; F465-L499 HydrophobicContact CZ-CD1 4.43Å; L467-L499 HydrophobicContact CD1-CB 3.78Å; L467-L499 HydrophobicContact CD1-CD1 3.88Å; L467-L499 HydrophobicContact CD1-CG 4.49Å; V497-L499 VanDerWaalsContact C-N 3.28Å; V497-L499 HydrophobicContact CG1-CD1 3.79Å; V497-L499 HydrophobicContact CG1-CG 3.92Å; V497-L499 PolarHBondContact O-N 3.46Å; L499-W501 PolarHBondContact O-N 3.24Å
500K94Very high93.3Very high166 Ų16657.2 Ų57.272%0.72231%0.314SS*.  trans-65.4131.2174.2-174.5-173172.6-158.70109.7E502K500-E502 IonicContact NZ-OE1 3.98Å; K500-E502 PolarHBondContact NZ-OE1 2.9Å
501W95.5Very high93.2Very high56 Ų5658.3 Ų58.321%0.21232%0.318CS..EExtended strand (participates in β ladder)trans-137.2158.2174.364.2-91.3000111.3L467 L469 K491 L494 D495 L499 L503L467-W501 HydrophobicContact CB-CB 3.83Å; L467-W501 CarbonylContact O-C 3.22Å; L467-W501 WeakPolarHBondContact O-CA 3.32Å; L467-W501 WeakPolarHBondContact O-CB 3.46Å; L469-W501 HydrophobicContact CB-CE3 3.76Å; L469-W501 HydrophobicContact CB-CZ3 3.78Å; L469-W501 HydrophobicContact CD2-CH2 4.09Å; L469-W501 HydrophobicContact CD2-CZ3 3.92Å; K491-W501 HydrophobicContact CD-CH2 4.31Å; K491-W501 HydrophobicContact CD-CZ2 4.39Å; K491-W501 HydrophobicContact CG-CH2 3.9Å; K491-W501 HydrophobicContact CG-CZ2 3.7Å; L494-W501 HydrophobicContact CB-CD2 4.49Å; L494-W501 HydrophobicContact CB-CG 4.13Å; L494-W501 HydrophobicContact CD1-CB 4.33Å; L494-W501 HydrophobicContact CD1-CD2 4.02Å; L494-W501 HydrophobicContact CD1-CE3 4.4Å; L494-W501 HydrophobicContact CD1-CG 3.98Å; L494-W501 HydrophobicContact CD2-CB 4.49Å; L494-W501 HydrophobicContact CG-CG 4.48Å; D495-W501 WeakPolarHBondContact OD1-CZ2 3.3Å; D495-W501 PolarHBondContact OD1-NE1 3.43Å; L499-W501 PolarHBondContact O-N 3.24Å; W501-L503 HydrophobicContact CZ3-CB 4.31Å; W501-L503 HydrophobicContact CZ3-CD1 4.28Å
502E95.5Very high93.2Very high70 Ų7054.1 Ų54.133%0.32730%0.301SS..EExtended strand (participates in β ladder)trans-122.4150.9176.8-64.2-174.8-172.600110.6L467 Y468 L469 K500L467-E502 PolarHBondContact O-N 2.9Å; Y468-E502 CarbonylContact C-O 3.57Å; Y468-E502 VanDerWaalsContact CA-O 3.22Å; Y468-E502 WeakPolarHBondContact CA-O 3.46Å; Y468-E502 HydrophobicContact CD1-CB 3.89Å; Y468-E502 HydrophobicContact CE1-CB 3.91Å; L469-E502 PolarHBondContact N-O 2.82Å; K500-E502 IonicContact NZ-OE1 3.98Å; K500-E502 PolarHBondContact NZ-OE1 2.9Å
503L95.3Very high93.3Very high102 Ų10251 Ų5153%0.53429%0.286SS..EExtended strand (participates in β ladder)trans-81.3134177.8-169.872.6000110L469 T471 W501L469-L503 HydrophobicContact CB-CD1 4.38Å; L469-L503 HydrophobicContact CD2-CD1 4.23Å; L469-L503 HydrophobicContact CG-CD1 4.32Å; T471-L503 HydrophobicContact CG2-CD1 3.85Å; W501-L503 HydrophobicContact CZ3-CB 4.31Å; W501-L503 HydrophobicContact CZ3-CD1 4.28Å
504N93.8Very high93.4Very high56 Ų5651.7 Ų51.730%0.29929%0.289SS..EExtended strand (participates in β ladder)trans-124.777.6176-174.532.2000110.5Y468 L469 S470 G506 D507Y468-N504 HydrophobicContact CD1-CB 4.39Å; L469-N504 PolarHBondContact O-N 3.42Å; S470-N504 VanDerWaalsContact CA-O 3.27Å; S470-N504 WeakPolarHBondContact CA-O 3.37Å; S470-N504 PolarHBondContact OG-ND2 3.38Å; S470-N504 VanDerWaalsContact OG-ND2 3.15Å; N504-G506 PolarHBondContact O-N 2.87Å; N504-D507 VanDerWaalsContact ND2-CB 3.31Å; N504-D507 WeakPolarHBondContact ND2-CB 3.5Å; N504-D507 PolarHBondContact ND2-OD2 3.33Å
505P94.1Very high93.5Very high91 Ų9151.7 Ų51.759%0.59129%0.289SS*.THydrogen-bonded Turntrans-66138-168.227.3-34.3000112.6T471 D507T471-P505 WeakPolarHBondContact OG1-CA 3.35Å; P505-D507 VanDerWaalsContact C-N 3.34Å; P505-D507 PolarHBondContact O-N 2.98Å
506G92.9Very high93.6Very high37 Ų3748.1 Ų48.138%0.38127%0.27SS..THydrogen-bonded Turntrans84.6-2172.200000116T471 R472 P473 N504T471-G506 CarbonylContact O-C 3.52Å; T471-G506 PolarHBondContact O-N 2.8Å; T471-G506 PolarHBondContact OG1-N 3.39Å; R472-G506 WeakPolarHBondContact O-CA 3.28Å; P473-G506 WeakPolarHBondContact CA-O 3.27Å; P473-G506 WeakPolarHBondContact CB-O 3.45Å; N504-G506 PolarHBondContact O-N 2.87Å
507D92.1Very high93.8Very high72 Ų7242.4 Ų42.439%0.38524%0.243SC..  trans-96.91.4-177-164.457.2000113.9T471 N504 P505 K514T471-D507 PolarHBondContact O-N 3.4Å; N504-D507 VanDerWaalsContact ND2-CB 3.31Å; N504-D507 WeakPolarHBondContact ND2-CB 3.5Å; N504-D507 PolarHBondContact ND2-OD2 3.33Å; P505-D507 VanDerWaalsContact C-N 3.34Å; P505-D507 PolarHBondContact O-N 2.98Å; D507-K514 WeakPolarHBondContact O-CE 3.37Å; D507-K514 PolarHBondContact O-NZ 2.91Å; D507-K514 IonicContact OD2-NZ 3.83Å; D507-K514 PolarHBondContact OD2-NZ 3.39Å
508G93.4Very high93.9Very high9 Ų942.2 Ų42.29%0.09324%0.241CC..SBendtrans-56.7161.517800000114.1T471T471-G508 WeakPolarHBondContact O-CA 3.01Å; T471-G508 PolarHBondContact O-N 2.88Å
509A92.8Very high94Very high18 Ų1839.2 Ų39.215%0.14921%0.21CC..BIsolated β-bridgetrans-67.1150.3171.500000109.6W483 Y511 G512W483-A509 WeakPolarHBondContact CH2-O 2.87Å; A509-Y511 HydrophobicContact CB-CD1 4.26Å; A509-Y511 HydrophobicContact CB-CE1 4.03Å; A509-Y511 HydrophobicContact CB-CE2 4.32Å; A509-Y511 PolarHBondContact O-N 3.14Å; A509-G512 PolarHBondContact N-O 3.03Å; A509-G512 PolarHBondContact O-N 2.95Å; A509-G512 VanDerWaalsContact O-O 3.07Å
510F93.6Very high93.7Very high29 Ų2941 Ų4113%0.12722%0.218CC..THydrogen-bonded Turntrans-58.9-22.5-177.468.7-91.1000113.4H359 H362 M477 W483H359-F510 HydrophobicContact CB-CZ 4.47Å; H359-F510 AromaticContact CD2-CE1 3.65Å; H359-F510 AromaticContact CD2-CZ 3.45Å; H359-F510 VanDerWaalsContact CD2-CZ 3.45Å; H359-F510 WeakPolarHBondContact CD2-CZ 2.91Å; H359-F510 AromaticContact CE1-CZ 3.79Å; H359-F510 AromaticContact CG-CZ 3.79Å; H359-F510 AromaticContact ND1-CZ 3.99Å; H359-F510 AromaticContact NE2-CE1 3.7Å; H359-F510 AromaticContact NE2-CZ 3.44Å; H359-F510 WeakPolarHBondContact NE2-CZ 3.46Å; H362-F510 HydrophobicContact CB-CB 4.35Å; H362-F510 HydrophobicContact CB-CD1 3.71Å; H362-F510 HydrophobicContact CB-CD2 3.79Å; H362-F510 HydrophobicContact CB-CE1 3.86Å; H362-F510 HydrophobicContact CB-CE2 3.95Å; H362-F510 HydrophobicContact CB-CG 3.68Å; H362-F510 HydrophobicContact CB-CZ 3.97Å; H362-F510 AromaticContact CD2-CD2 3.42Å; H362-F510 VanDerWaalsContact CD2-CD2 3.42Å; H362-F510 WeakPolarHBondContact CD2-CD2 3.4Å; H362-F510 AromaticContact CD2-CE2 3.66Å; H362-F510 AromaticContact CG-CD2 3.49Å; H362-F510 VanDerWaalsContact CG-CD2 3.49Å; H362-F510 AromaticContact CG-CE2 3.93Å; H362-F510 AromaticContact CG-CG 3.68Å; H362-F510 AromaticContact NE2-CD2 3.97Å; M477-F510 HydrophobicContact CG-CD2 3.86Å; M477-F510 HydrophobicContact CG-CE2 4.42Å; M477-F510 WeakPolarHBondContact CG-O 3.33Å; M477-F510 PolarHBondContact N-O 2.86Å; M477-F510 HydrophobicContact SD-CD2 3.89Å; M477-F510 HydrophobicContact SD-CE2 3.84Å; W483-F510 WeakPolarHBondContact CZ2-O 3.48Å
511Y93.5Very high92.8Very high22 Ų2233.3 Ų33.39%0.08619%0.185CC..THydrogen-bonded Turntrans-103.2-2.1179.657.8-95.5000115.2H359 A509 Q533 D535 Q537 H592H359-Y511 AromaticContact NE2-CD1 4Å; H359-Y511 AromaticContact NE2-CE1 3.56Å; A509-Y511 HydrophobicContact CB-CD1 4.26Å; A509-Y511 HydrophobicContact CB-CE1 4.03Å; A509-Y511 HydrophobicContact CB-CE2 4.32Å; A509-Y511 PolarHBondContact O-N 3.14Å; Y511-Q533 PolarHBondContact OH-OE1 3.1Å; Y511-Q533 VanDerWaalsContact OH-OE1 3.13Å; Y511-D535 HydrophobicContact CD2-CB 3.95Å; Y511-D535 HydrophobicContact CE2-CB 4.27Å; Y511-Q537 WeakPolarHBondContact O-CG 3.39Å; Y511-H592 AromaticContact CE2-CD2 3.92Å; Y511-H592 AromaticContact CE2-NE2 3.68Å
512G95.1Very high91.6Very high2 Ų233.9 Ų33.92%0.02120%0.201CC..BIsolated β-bridgetrans177.2156.8177.700000115W483 A509 L534W483-G512 WeakPolarHBondContact CH2-O 3.5Å; W483-G512 VanDerWaalsContact CZ2-N 3.35Å; A509-G512 PolarHBondContact N-O 3.03Å; A509-G512 PolarHBondContact O-N 2.95Å; A509-G512 VanDerWaalsContact O-O 3.07Å; G512-L534 WeakPolarHBondContact CA-O 3.28Å
513P97.3Very high90.4Very high1 Ų131.7 Ų31.71%0.00619%0.192CC..  trans-71.5158.4175.932.1-35.6000110.6S470 W483 A486 E487 L490 Q533 L534S470-P513 WeakPolarHBondContact O-CA 3.46Å; W483-P513 HydrophobicContact CE3-CB 4.35Å; W483-P513 HydrophobicContact CE3-CG 4.32Å; W483-P513 HydrophobicContact CZ3-CB 3.88Å; W483-P513 HydrophobicContact CZ3-CG 4.18Å; A486-P513 HydrophobicContact CB-CG 3.66Å; E487-P513 HydrophobicContact CG-CB 3.77Å; E487-P513 HydrophobicContact CG-CG 3.99Å; L490-P513 HydrophobicContact CD1-CB 3.88Å; L490-P513 HydrophobicContact CD1-CG 3.79Å; P513-Q533 WeakPolarHBondContact O-CA 3.48Å; P513-L534 WeakPolarHBondContact CD-O 3.34Å; P513-L534 PolarHBondContact O-N 3.31Å
514K96.8Very high89.4Confident16 Ų1636.7 Ų36.77%0.0720%0.203CC..EExtended strand (participates in β ladder)trans-139.9153.5-177.765.3-177.3169.71440112.6S470 D507 D516 I532 Q533S470-K514 PolarHBondContact N-O 2.94Å; S470-K514 PolarHBondContact O-N 3.04Å; D507-K514 WeakPolarHBondContact O-CE 3.37Å; D507-K514 PolarHBondContact O-NZ 2.91Å; D507-K514 IonicContact OD2-NZ 3.83Å; D507-K514 PolarHBondContact OD2-NZ 3.39Å; K514-D516 VanDerWaalsContact CD-OD1 3.26Å; K514-D516 WeakPolarHBondContact CD-OD1 3.44Å; K514-D516 WeakPolarHBondContact CE-OD1 3.33Å; K514-D516 WeakPolarHBondContact CE-OD2 3.48Å; K514-D516 VanDerWaalsContact NZ-CG 3.32Å; K514-D516 IonicContact NZ-OD1 3.49Å; K514-D516 PolarHBondContact NZ-OD1 2.82Å; K514-D516 VanDerWaalsContact NZ-OD1 3.09Å; K514-D516 IonicContact NZ-OD2 3.99Å; K514-D516 PolarHBondContact NZ-OD2 3.03Å; K514-I532 CarbonylContact C-O 3.58Å; K514-I532 VanDerWaalsContact CA-O 3.24Å; K514-I532 WeakPolarHBondContact CA-O 3.47Å; K514-I532 WeakPolarHBondContact CB-O 3.14Å; K514-Q533 HydrophobicContact CB-CB 3.97Å; K514-Q533 HydrophobicContact CB-CG 3.69Å
515I97Very high88.6Confident0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-92.5112.7161.5-54.4168.5000106I447 L467 Y468 L490 L494 I517 T531 I532I447-I515 HydrophobicContact CG2-CD1 3.87Å; L467-I515 HydrophobicContact CB-CG2 4.44Å; L467-I515 HydrophobicContact CD2-CG2 3.97Å; Y468-I515 CarbonylContact O-C 3.56Å; Y468-I515 VanDerWaalsContact O-CA 3.32Å; Y468-I515 WeakPolarHBondContact O-CA 3.43Å; L490-I515 HydrophobicContact CD1-CG1 4.48Å; L490-I515 HydrophobicContact CD2-CD1 4.06Å; L490-I515 HydrophobicContact CD2-CG1 4.27Å; L494-I515 HydrophobicContact CD1-CD1 4.4Å; L494-I515 HydrophobicContact CD1-CG1 4.16Å; L494-I515 HydrophobicContact CD2-CD1 3.8Å; L494-I515 HydrophobicContact CD2-CG1 4.22Å; L494-I515 HydrophobicContact CD2-CG2 4.12Å; L494-I515 HydrophobicContact CG-CD1 3.97Å; L494-I515 HydrophobicContact CG-CG1 4.28Å; I515-I517 HydrophobicContact CG2-CD1 4.25Å; I515-I517 HydrophobicContact CG2-CG1 4.31Å; I515-I517 VanDerWaalsContact O-CD1 3.28Å; I515-I517 WeakPolarHBondContact O-CD1 3.29Å; I515-T531 WeakPolarHBondContact O-CA 3.27Å; I515-I532 HydrophobicContact CB-CB 4.3Å; I515-I532 HydrophobicContact CD1-CB 4.47Å; I515-I532 PolarHBondContact N-O 3.36Å; I515-I532 PolarHBondContact O-N 3.08Å
516D95.3Very high88.2Confident3 Ų338 Ų382%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-87.7133.5170.1-72.8-49.6000110.1Y468 S470 K514 Q528Y468-D516 PolarHBondContact N-O 3.25Å; Y468-D516 PolarHBondContact O-N 2.86Å; S470-D516 WeakPolarHBondContact CB-OD2 3.3Å; S470-D516 PolarHBondContact OG-OD2 2.79Å; K514-D516 VanDerWaalsContact CD-OD1 3.26Å; K514-D516 WeakPolarHBondContact CD-OD1 3.44Å; K514-D516 WeakPolarHBondContact CE-OD1 3.33Å; K514-D516 WeakPolarHBondContact CE-OD2 3.48Å; K514-D516 VanDerWaalsContact NZ-CG 3.32Å; K514-D516 IonicContact NZ-OD1 3.49Å; K514-D516 PolarHBondContact NZ-OD1 2.82Å; K514-D516 VanDerWaalsContact NZ-OD1 3.09Å; K514-D516 IonicContact NZ-OD2 3.99Å; K514-D516 PolarHBondContact NZ-OD2 3.03Å; D516-Q528 HydrophobicContact CB-CG 4.44Å; D516-Q528 PolarHBondContact OD1-NE2 2.82Å
517I95.2Very high87.8Confident0 Ų037.8 Ų37.80%018%0.181CC..EExtended strand (participates in β ladder)trans-115.6109.7-178.5-55.697.2000108.5L454 Y458 F465 L467 I515 C529 A530 I532L454-I517 HydrophobicContact CD1-CD1 3.81Å; L454-I517 HydrophobicContact CD1-CG1 3.87Å; Y458-I517 HydrophobicContact CE2-CG2 3.75Å; F465-I517 HydrophobicContact CB-CG2 3.65Å; F465-I517 HydrophobicContact CD2-CG2 3.82Å; F465-I517 HydrophobicContact CG-CG2 3.88Å; L467-I517 HydrophobicContact CD2-CB 4.43Å; L467-I517 HydrophobicContact CD2-CG1 3.61Å; L467-I517 HydrophobicContact CD2-CG2 4.29Å; I515-I517 HydrophobicContact CG2-CD1 4.25Å; I515-I517 HydrophobicContact CG2-CG1 4.31Å; I515-I517 VanDerWaalsContact O-CD1 3.28Å; I515-I517 WeakPolarHBondContact O-CD1 3.29Å; I517-C529 PolarHBondContact O-N 2.88Å; I517-A530 HydrophobicContact CB-CB 3.92Å; I517-A530 HydrophobicContact CD1-CB 3.89Å; I517-A530 WeakPolarHBondContact CD1-O 3.38Å; I517-A530 HydrophobicContact CG1-CB 4.33Å; I517-A530 HydrophobicContact CG2-CB 4.45Å; I517-A530 PolarHBondContact N-O 2.75Å; I517-I532 HydrophobicContact CD1-CG1 4.27Å
518N92.1Very high87.5Confident29 Ų2938.2 Ų38.216%0.15518%0.181CC..EExtended strand (participates in β ladder)trans-97.2123.3179-70.6-9.7000109.1F465 E466 Y468 H527 Q528F465-N518 CarbonylContact C-O 3.59Å; F465-N518 VanDerWaalsContact CA-O 3.22Å; F465-N518 WeakPolarHBondContact CA-O 3.35Å; E466-N518 PolarHBondContact N-O 2.7Å; E466-N518 PolarHBondContact O-N 2.97Å; Y468-N518 HydrophobicContact CD2-CB 4.43Å; Y468-N518 HydrophobicContact CE2-CB 4.03Å; Y468-N518 VanDerWaalsContact CE2-ND2 3.28Å; Y468-N518 WeakPolarHBondContact CE2-ND2 3.37Å; N518-H527 WeakPolarHBondContact CA-O 3.17Å; N518-Q528 VanDerWaalsContact OD1-CA 3.31Å; N518-Q528 WeakPolarHBondContact OD1-CA 3.24Å; N518-Q528 WeakPolarHBondContact OD1-CB 3.49Å
519I90.1Very high87.3Confident1 Ų138.2 Ų38.21%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-97.1144.6167.960.1176.6000109.5Y458 F463 F465 H527 C529 I602 I605Y458-I519 HydrophobicContact CD2-CG2 3.61Å; Y458-I519 HydrophobicContact CE1-CG2 4.37Å; Y458-I519 HydrophobicContact CE2-CG2 3.34Å; Y458-I519 HydrophobicContact CG-CG2 4.22Å; F463-I519 HydrophobicContact CB-CG2 4.3Å; F463-I519 HydrophobicContact CD2-CD1 3.89Å; F463-I519 HydrophobicContact CE2-CD1 3.99Å; F463-I519 HydrophobicContact CG-CD1 4.4Å; F465-I519 HydrophobicContact CB-CG2 4.08Å; I519-H527 HydrophobicContact CG1-CB 4.24Å; I519-H527 PolarHBondContact N-O 3.22Å; I519-H527 PolarHBondContact O-N 2.96Å; I519-C529 HydrophobicContact CD1-CB 4.21Å; I519-C529 VanDerWaalsContact CD1-SG 3.51Å; I519-C529 HydrophobicContact CG1-CB 4.32Å; I519-C529 VanDerWaalsContact CG1-SG 3.58Å; I519-I602 HydrophobicContact CD1-CD1 4.13Å; I519-I605 HydrophobicContact CD1-CD1 4.06Å; I519-I605 HydrophobicContact CD1-CG2 3.83Å
520M81.7Confident87.3Confident81 Ų8137.4 Ų37.440%0.39917%0.173SC..EExtended strand (participates in β ladder)trans-99.8125.1174.2-168.8174.668.600108.8R524 R525M520-R524 HydrophobicContact CE-CG 4.14Å; M520-R524 VanDerWaalsContact CG-CA 3.42Å; M520-R524 HydrophobicContact CG-CB 4.25Å; M520-R524 HydrophobicContact SD-CB 3.74Å; M520-R524 HydrophobicContact SD-CG 3.9Å; M520-R525 WeakPolarHBondContact CA-O 3.43Å
521D76.2Confident87.4Confident5 Ų537 Ų373%0.02717%0.173CC..  trans-75.7175.517568.419000111.9L523 R524 R525 H527 I605D521-L523 PolarHBondContact O-N 3.13Å; D521-L523 VanDerWaalsContact OD1-C 3.23Å; D521-L523 VanDerWaalsContact OD1-CA 3.26Å; D521-L523 WeakPolarHBondContact OD1-CA 3.25Å; D521-L523 WeakPolarHBondContact OD1-CB 3.35Å; D521-L523 PolarHBondContact OD1-N 3.31Å; D521-R524 PolarHBondContact O-N 3.45Å; D521-R524 PolarHBondContact OD1-N 2.74Å; D521-R525 PolarHBondContact N-O 3.32Å; D521-R525 PolarHBondContact OD1-N 3.43Å; D521-R525 IonicContact OD1-NE 3.11Å; D521-R525 WeakPolarHBondContact OD2-CB 3.38Å; D521-R525 IonicContact OD2-CZ 3.53Å; D521-R525 IonicContact OD2-NE 3.32Å; D521-R525 PolarHBondContact OD2-NE 2.89Å; D521-R525 IonicContact OD2-NH2 3.96Å; D521-R525 PolarHBondContact OD2-NH2 2.97Å; D521-H527 IonicContact OD2-CD2 2.65Å; D521-H527 IonicContact OD2-NE2 2.96Å; D521-H527 PolarHBondContact OD2-NE2 3.45Å; D521-I605 HydrophobicContact CB-CG2 4.4Å
522A70.1Confident87.6Confident67 Ų6736 Ų3655%0.55417%0.169SC*.THydrogen-bonded Turntrans-60.4-12.717800000114.1
523L70.8Confident87.7Confident25 Ų2537.2 Ų37.213%0.13117%0.174CC..THydrogen-bonded Turntrans-103.67.8-180-61.7162.2000112.4A289 R292 D521 R525A289-L523 VanDerWaalsContact CA-CD1 3.49Å; A289-L523 HydrophobicContact CB-CD1 3.62Å; A289-L523 HydrophobicContact CB-CD2 4Å; A289-L523 HydrophobicContact CB-CG 4.3Å; R292-L523 HydrophobicContact CB-CD1 4.17Å; D521-L523 PolarHBondContact O-N 3.13Å; D521-L523 VanDerWaalsContact OD1-C 3.23Å; D521-L523 VanDerWaalsContact OD1-CA 3.26Å; D521-L523 WeakPolarHBondContact OD1-CA 3.25Å; D521-L523 WeakPolarHBondContact OD1-CB 3.35Å; D521-L523 PolarHBondContact OD1-N 3.31Å; L523-R525 VanDerWaalsContact C-N 3.28Å; L523-R525 PolarHBondContact O-N 2.71Å
524R72.6Confident87.7Confident206 Ų20637.2 Ų37.278%0.77717%0.174SC*.  trans66.719.3-177.8-56-172.1179.1-180-0.4115.7M520 D521M520-R524 HydrophobicContact CE-CG 4.14Å; M520-R524 VanDerWaalsContact CG-CA 3.42Å; M520-R524 HydrophobicContact CG-CB 4.25Å; M520-R524 HydrophobicContact SD-CB 3.74Å; M520-R524 HydrophobicContact SD-CG 3.9Å; D521-R524 PolarHBondContact O-N 3.45Å; D521-R524 PolarHBondContact OD1-N 2.74Å
525R78Confident87.6Confident69 Ų6936.4 Ų36.426%0.2617%0.171SC..  trans-84.6140.5173-57.9173.8-63.4172.55109.8M520 D521 L523 E608M520-R525 WeakPolarHBondContact CA-O 3.43Å; D521-R525 PolarHBondContact N-O 3.32Å; D521-R525 PolarHBondContact OD1-N 3.43Å; D521-R525 IonicContact OD1-NE 3.11Å; D521-R525 WeakPolarHBondContact OD2-CB 3.38Å; D521-R525 IonicContact OD2-CZ 3.53Å; D521-R525 IonicContact OD2-NE 3.32Å; D521-R525 PolarHBondContact OD2-NE 2.89Å; D521-R525 IonicContact OD2-NH2 3.96Å; D521-R525 PolarHBondContact OD2-NH2 2.97Å; L523-R525 VanDerWaalsContact C-N 3.28Å; L523-R525 PolarHBondContact O-N 2.71Å; R525-E608 IonicContact CZ-OE2 3.52Å; R525-E608 IonicContact NH1-OE2 3.51Å; R525-E608 VanDerWaalsContact NH2-CD 3.27Å; R525-E608 IonicContact NH2-OE1 2.78Å; R525-E608 IonicContact NH2-OE2 2.96Å; R525-E608 PolarHBondContact NH2-OE2 2.98Å
526R84.7Confident87.5Confident106 Ų10637.4 Ų37.440%0.418%0.175SC..EExtended strand (participates in β ladder)trans-87.3126.7177.9-70.8174.2165.7153.3-8.1110.2E148 E466E148-R526 IonicContact OE1-NH1 3.63Å; E148-R526 PolarHBondContact OE1-NH1 3.28Å; E466-R526 IonicContact OE1-NH2 3.77Å; E466-R526 PolarHBondContact OE1-NH2 3.31Å; E466-R526 IonicContact OE2-CZ 2.74Å; E466-R526 IonicContact OE2-NE 3.6Å; E466-R526 PolarHBondContact OE2-NE 2.96Å; E466-R526 VanDerWaalsContact OE2-NE 3.1Å; E466-R526 IonicContact OE2-NH2 2.75Å; E466-R526 PolarHBondContact OE2-NH2 3.04Å
527H85.5Confident87.5Confident32 Ų3237.8 Ų37.815%0.14818%0.176CC..EExtended strand (participates in β ladder)trans-122.3119.1172.7-62.4-91.3000109.6N518 I519 D521 C529 I605N518-H527 WeakPolarHBondContact CA-O 3.17Å; I519-H527 HydrophobicContact CG1-CB 4.24Å; I519-H527 PolarHBondContact N-O 3.22Å; I519-H527 PolarHBondContact O-N 2.96Å; D521-H527 IonicContact OD2-CD2 2.65Å; D521-H527 IonicContact OD2-NE2 2.96Å; D521-H527 PolarHBondContact OD2-NE2 3.45Å; H527-C529 PolarHBondContact O-N 2.91Å; H527-I605 HydrophobicContact CB-CD1 3.52Å; H527-I605 HydrophobicContact CB-CG1 4.3Å
528Q86.3Confident87.6Confident82 Ų8237.8 Ų37.838%0.38318%0.176SC..EExtended strand (participates in β ladder)trans-71.6111.2167.2-172.8-165.3-0.800108.8D516 N518 R601D516-Q528 HydrophobicContact CB-CG 4.44Å; D516-Q528 PolarHBondContact OD1-NE2 2.82Å; N518-Q528 VanDerWaalsContact OD1-CA 3.31Å; N518-Q528 WeakPolarHBondContact OD1-CA 3.24Å; N518-Q528 WeakPolarHBondContact OD1-CB 3.49Å; Q528-R601 PolarHBondContact O-NH1 3.09Å
529C88.4Confident87.9Confident9 Ų936.4 Ų36.46%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-114.1-67.5-175.8-65.40000111.2Y458 I517 I519 H527 G597 I605Y458-C529 WeakPolarHBondContact OH-CB 3.36Å; I517-C529 PolarHBondContact O-N 2.88Å; I519-C529 HydrophobicContact CD1-CB 4.21Å; I519-C529 VanDerWaalsContact CD1-SG 3.51Å; I519-C529 HydrophobicContact CG1-CB 4.32Å; I519-C529 VanDerWaalsContact CG1-SG 3.58Å; H527-C529 PolarHBondContact O-N 2.91Å; C529-G597 WeakPolarHBondContact O-CA 3.3Å; C529-I605 WeakPolarHBondContact SG-CD1 3.48Å
530A93.9Very high88.2Confident0 Ų037.9 Ų37.90%018%0.178CC..EExtended strand (participates in β ladder)trans-84.9157.6177.300000112.4L454 Y458 I517 A594 I595L454-A530 HydrophobicContact CD2-CB 3.26Å; Y458-A530 HydrophobicContact CE2-CB 4.45Å; Y458-A530 WeakPolarHBondContact OH-CB 3.33Å; Y458-A530 PolarHBondContact OH-N 3.47Å; I517-A530 HydrophobicContact CB-CB 3.92Å; I517-A530 HydrophobicContact CD1-CB 3.89Å; I517-A530 WeakPolarHBondContact CD1-O 3.38Å; I517-A530 HydrophobicContact CG1-CB 4.33Å; I517-A530 HydrophobicContact CG2-CB 4.45Å; I517-A530 PolarHBondContact N-O 2.75Å; A530-A594 WeakPolarHBondContact CA-O 3.2Å; A530-A594 WeakPolarHBondContact CB-O 3.35Å; A530-I595 WeakPolarHBondContact CB-O 3.31Å
531T94.9Very high88.9Confident22 Ų2237.5 Ų37.514%0.13517%0.172CC..EExtended strand (participates in β ladder)trans-145.3145.9173.7-167.60000109I515 Q533 R593 A594I515-T531 WeakPolarHBondContact O-CA 3.27Å; T531-Q533 HydrophobicContact CG2-CG 4.13Å; T531-Q533 WeakPolarHBondContact OG1-CG 3.36Å; T531-Q533 PolarHBondContact OG1-NE2 2.85Å; T531-Q533 VanDerWaalsContact OG1-NE2 3.1Å; T531-R593 VanDerWaalsContact O-CA 3.29Å; T531-R593 WeakPolarHBondContact O-CA 3.15Å; T531-A594 PolarHBondContact N-O 3.43Å; T531-A594 PolarHBondContact O-N 3.32Å
532I97.1Very high89.9Confident1 Ų137.9 Ų37.91%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-126.7119.3166.2-56.9165.5000106.5I447 C450 L451 L454 K514 I515 I517 I591 H592I447-I532 HydrophobicContact CD1-CG2 3.42Å; I447-I532 VanDerWaalsContact CD1-CG2 3.42Å; C450-I532 HydrophobicContact CB-CD1 3.53Å; C450-I532 HydrophobicContact CB-CG1 4.08Å; L451-I532 HydrophobicContact CD2-CD1 3.91Å; L451-I532 HydrophobicContact CG-CD1 4.13Å; L454-I532 HydrophobicContact CD1-CD1 3.67Å; L454-I532 HydrophobicContact CD1-CG1 4.26Å; K514-I532 CarbonylContact C-O 3.58Å; K514-I532 VanDerWaalsContact CA-O 3.24Å; K514-I532 WeakPolarHBondContact CA-O 3.47Å; K514-I532 WeakPolarHBondContact CB-O 3.14Å; I515-I532 HydrophobicContact CB-CB 4.3Å; I515-I532 HydrophobicContact CD1-CB 4.47Å; I515-I532 PolarHBondContact N-O 3.36Å; I515-I532 PolarHBondContact O-N 3.08Å; I517-I532 HydrophobicContact CD1-CG1 4.27Å; I532-I591 HydrophobicContact CG2-CG2 3.66Å; I532-H592 CarbonylContact C-O 3.58Å; I532-H592 WeakPolarHBondContact CA-O 3.34Å
533Q96.9Very high91.2Very high27 Ų2739.8 Ų39.813%0.12618%0.175CC..EExtended strand (participates in β ladder)trans-122.2139.5-174.5-33.4-173.6-14.600109.6Y511 P513 K514 T531 I591 H592Y511-Q533 PolarHBondContact OH-OE1 3.1Å; Y511-Q533 VanDerWaalsContact OH-OE1 3.13Å; P513-Q533 WeakPolarHBondContact O-CA 3.48Å; K514-Q533 HydrophobicContact CB-CB 3.97Å; K514-Q533 HydrophobicContact CB-CG 3.69Å; T531-Q533 HydrophobicContact CG2-CG 4.13Å; T531-Q533 WeakPolarHBondContact OG1-CG 3.36Å; T531-Q533 PolarHBondContact OG1-NE2 2.85Å; T531-Q533 VanDerWaalsContact OG1-NE2 3.1Å; Q533-I591 CarbonylContact O-C 3.54Å; Q533-I591 WeakPolarHBondContact O-CA 3.5Å; Q533-H592 HydrophobicContact CB-CB 3.99Å; Q533-H592 HydrophobicContact CG-CB 4.17Å; Q533-H592 PolarHBondContact N-O 3.3Å; Q533-H592 PolarHBondContact O-N 3.34Å
534L97.2Very high92.4Very high0 Ų038.7 Ų38.70%017%0.169CC..EExtended strand (participates in β ladder)trans-108.4116.6-179.1-170.266.7000109.7I443 A486 Q489 L490 G512 P513 F536 V589 I591I443-L534 HydrophobicContact CD1-CD1 4.14Å; I443-L534 HydrophobicContact CG1-CD1 4.26Å; I443-L534 HydrophobicContact CG2-CD1 3.82Å; I443-L534 HydrophobicContact CG2-CD2 4.13Å; A486-L534 HydrophobicContact CB-CD2 4.28Å; Q489-L534 HydrophobicContact CB-CD2 4.11Å; L490-L534 HydrophobicContact CD1-CB 4.01Å; L490-L534 HydrophobicContact CD2-CB 4Å; L490-L534 HydrophobicContact CD2-CD2 4.24Å; L490-L534 HydrophobicContact CG-CB 3.97Å; L490-L534 HydrophobicContact CG-CD2 4.02Å; G512-L534 WeakPolarHBondContact CA-O 3.28Å; P513-L534 WeakPolarHBondContact CD-O 3.34Å; P513-L534 PolarHBondContact O-N 3.31Å; L534-F536 HydrophobicContact CD2-CE2 3.71Å; L534-F536 HydrophobicContact CD2-CZ 4.29Å; L534-F536 HydrophobicContact CG-CD2 4.4Å; L534-F536 HydrophobicContact CG-CE2 3.7Å; L534-F536 HydrophobicContact CG-CZ 4.46Å; L534-V589 HydrophobicContact CD1-CG1 3.6Å; L534-V589 HydrophobicContact CG-CG1 4.2Å; L534-I591 HydrophobicContact CD1-CG1 3.76Å
535D96.6Very high93.6Very high0 Ų030.9 Ų30.90%015%0.146CC..EExtended strand (participates in β ladder)trans-124.3119.4-169.917427.5000112.1Y511 Q537 L538 I590 H592Y511-D535 HydrophobicContact CD2-CB 3.95Å; Y511-D535 HydrophobicContact CE2-CB 4.27Å; D535-Q537 WeakPolarHBondContact OD1-CA 3.45Å; D535-Q537 WeakPolarHBondContact OD1-CB 3.48Å; D535-Q537 PolarHBondContact OD1-N 3.28Å; D535-L538 PolarHBondContact OD1-N 3.21Å; D535-L538 WeakPolarHBondContact OD2-CB 3.16Å; D535-L538 VanDerWaalsContact OD2-CD1 3.24Å; D535-L538 WeakPolarHBondContact OD2-CD1 3.3Å; D535-L538 WeakPolarHBondContact OD2-CG 3.37Å; D535-L538 PolarHBondContact OD2-N 2.9Å; D535-I590 HydrophobicContact CB-CB 4.27Å; D535-I590 PolarHBondContact N-O 3.39Å; D535-I590 PolarHBondContact O-N 2.93Å; D535-H592 VanDerWaalsContact CB-CD2 3.43Å; D535-H592 WeakPolarHBondContact CB-CD2 3.42Å; D535-H592 WeakPolarHBondContact CB-NE2 3.39Å; D535-H592 IonicContact OD2-CE1 3.5Å; D535-H592 IonicContact OD2-NE2 3.62Å; D535-H592 PolarHBondContact OD2-NE2 2.9Å
536F94.5Very high94.5Very high20 Ų2028.5 Ų28.59%0.08814%0.137CC..SBendtrans-105.3-13172.3-66.2-99.1000112.2E440 I443 M482 A486 L534 V540 V589E440-F536 HydrophobicContact CG-CE1 4.24Å; I443-F536 HydrophobicContact CD1-CZ 4.05Å; M482-F536 HydrophobicContact CE-CB 3.8Å; M482-F536 HydrophobicContact CG-CB 3.74Å; M482-F536 HydrophobicContact CG-CG 4.09Å; M482-F536 HydrophobicContact SD-CB 3.42Å; M482-F536 WeakPolarHBondContact SD-CB 3.42Å; M482-F536 HydrophobicContact SD-CG 4.25Å; A486-F536 HydrophobicContact CB-CD2 3.79Å; A486-F536 HydrophobicContact CB-CE2 3.53Å; L534-F536 HydrophobicContact CD2-CE2 3.71Å; L534-F536 HydrophobicContact CD2-CZ 4.29Å; L534-F536 HydrophobicContact CG-CD2 4.4Å; L534-F536 HydrophobicContact CG-CE2 3.7Å; L534-F536 HydrophobicContact CG-CZ 4.46Å; F536-V540 WeakPolarHBondContact O-CG2 3.33Å; F536-V589 HydrophobicContact CD1-CG1 4.18Å; F536-V589 HydrophobicContact CD1-CG2 3.68Å; F536-V589 HydrophobicContact CD2-CG1 4.21Å; F536-V589 HydrophobicContact CE1-CB 4.29Å; F536-V589 HydrophobicContact CE1-CG1 3.95Å; F536-V589 HydrophobicContact CE1-CG2 3.31Å; F536-V589 HydrophobicContact CE2-CG1 3.96Å; F536-V589 HydrophobicContact CG-CG1 4.31Å; F536-V589 HydrophobicContact CZ-CG1 3.81Å; F536-V589 HydrophobicContact CZ-CG2 3.92Å
537Q95.1Very high94.9Very high11 Ų1125.3 Ų25.35%0.05113%0.133CC..Hα-helixtrans-79.7-49.5-172.6-58.5-66.9-1400112M477 M482 Y511 D535 V540 R541M477-Q537 HydrophobicContact CE-CB 3.68Å; M477-Q537 HydrophobicContact CE-CG 3.95Å; M477-Q537 HydrophobicContact CG-CG 4.2Å; M477-Q537 PolarHBondContact O-NE2 3.09Å; M477-Q537 HydrophobicContact SD-CB 4.08Å; M477-Q537 HydrophobicContact SD-CG 4.29Å; M482-Q537 HydrophobicContact CE-CG 4.04Å; M482-Q537 VanDerWaalsContact CE-OE1 3.28Å; Y511-Q537 WeakPolarHBondContact O-CG 3.39Å; D535-Q537 WeakPolarHBondContact OD1-CA 3.45Å; D535-Q537 WeakPolarHBondContact OD1-CB 3.48Å; D535-Q537 PolarHBondContact OD1-N 3.28Å; Q537-V540 WeakPolarHBondContact O-CB 3.46Å; Q537-V540 PolarHBondContact O-N 2.93Å; Q537-R541 WeakPolarHBondContact O-CG 3.28Å; Q537-R541 PolarHBondContact O-N 2.62Å
538L97.1Very high94.9Very high0 Ų025.6 Ų25.60%014%0.139CC..Hα-helixtrans-62.2-39179.8-58.6-179.1000112.2S357 C384 D535 V540 R541 F542 I590S357-L538 WeakPolarHBondContact O-CD2 3.45Å; C384-L538 HydrophobicContact CB-CD1 3.96Å; D535-L538 PolarHBondContact OD1-N 3.21Å; D535-L538 WeakPolarHBondContact OD2-CB 3.16Å; D535-L538 VanDerWaalsContact OD2-CD1 3.24Å; D535-L538 WeakPolarHBondContact OD2-CD1 3.3Å; D535-L538 WeakPolarHBondContact OD2-CG 3.37Å; D535-L538 PolarHBondContact OD2-N 2.9Å; L538-V540 PolarHBondContact O-N 3Å; L538-R541 PolarHBondContact O-N 2.91Å; L538-F542 HydrophobicContact CB-CD2 4.25Å; L538-F542 HydrophobicContact CD2-CE2 4.2Å; L538-F542 WeakPolarHBondContact O-CB 3.41Å; L538-F542 WeakPolarHBondContact O-CD2 3.26Å; L538-F542 PolarHBondContact O-N 3.35Å; L538-I590 HydrophobicContact CB-CD1 4.14Å
539P97.6Very high94Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-52.7-39169.9-31.238.3000114.3N543 L544 R587 P588 I590P539-N543 CarbonylContact O-C 3.5Å; P539-N543 WeakPolarHBondContact O-CA 3.32Å; P539-N543 PolarHBondContact O-N 3.29Å; P539-L544 HydrophobicContact CB-CB 4.41Å; P539-L544 HydrophobicContact CB-CD1 4.5Å; P539-L544 PolarHBondContact O-N 3.35Å; P539-R587 HydrophobicContact CB-CG 3.6Å; P539-R587 PolarHBondContact O-NH1 2.9Å; P539-P588 WeakPolarHBondContact CB-O 3.36Å; P539-P588 VanDerWaalsContact CG-O 3.22Å; P539-P588 WeakPolarHBondContact CG-O 3.22Å; P539-I590 HydrophobicContact CG-CD1 3.81Å; P539-I590 HydrophobicContact CG-CG1 3.73Å
540V96.1Very high92.3Very high33 Ų3331.3 Ų31.320%0.217%0.17CC..Hα-helixtrans-71.3-50.1176.8174.40000110.4F536 Q537 L538 F542 N543F536-V540 WeakPolarHBondContact O-CG2 3.33Å; Q537-V540 WeakPolarHBondContact O-CB 3.46Å; Q537-V540 PolarHBondContact O-N 2.93Å; L538-V540 PolarHBondContact O-N 3Å; V540-F542 VanDerWaalsContact C-N 3.3Å; V540-F542 PolarHBondContact O-N 2.78Å; V540-N543 PolarHBondContact O-N 2.81Å
541R96.5Very high89.9Confident72 Ų7237.9 Ų37.927%0.27221%0.205SC..Hα-helixtrans-64.9-30.9-176.3-67.1-162.9112.5134.310.3114.2Q356 M477 Q537 L538Q356-R541 WeakPolarHBondContact CG-O 3.1Å; Q356-R541 PolarHBondContact NE2-O 2.93Å; Q356-R541 VanDerWaalsContact NE2-O 3.13Å; Q356-R541 VanDerWaalsContact O-CB 3.32Å; Q356-R541 WeakPolarHBondContact O-CB 3.41Å; Q356-R541 WeakPolarHBondContact O-CD 3.33Å; Q356-R541 PolarHBondContact O-NE 3.34Å; Q356-R541 VanDerWaalsContact O-NE 3.1Å; M477-R541 HydrophobicContact CE-CG 4.26Å; M477-R541 PolarHBondContact SD-NH1 3.4Å; Q537-R541 WeakPolarHBondContact O-CG 3.28Å; Q537-R541 PolarHBondContact O-N 2.62Å; L538-R541 PolarHBondContact O-N 2.91Å
542F97.9Very high87Confident13 Ų1343.6 Ų43.66%0.05723%0.234CC..THydrogen-bonded Turntrans-93.52174.3-74.7-89.4000113.4L353 Q356 P385 C388 L389 L538 V540 L544L353-F542 HydrophobicContact CD1-CE1 3.58Å; L353-F542 HydrophobicContact CD1-CZ 3.62Å; Q356-F542 HydrophobicContact CG-CD1 4.37Å; Q356-F542 HydrophobicContact CG-CE1 4.16Å; Q356-F542 HydrophobicContact CG-CZ 4.26Å; P385-F542 HydrophobicContact CB-CE2 4.3Å; P385-F542 HydrophobicContact CB-CZ 3.84Å; C388-F542 HydrophobicContact CB-CB 4.02Å; C388-F542 HydrophobicContact CB-CD1 3.71Å; C388-F542 HydrophobicContact CB-CD2 3.62Å; C388-F542 HydrophobicContact CB-CE1 4.06Å; C388-F542 HydrophobicContact CB-CE2 3.96Å; C388-F542 HydrophobicContact CB-CG 3.49Å; C388-F542 VanDerWaalsContact CB-CG 3.49Å; C388-F542 HydrophobicContact CB-CZ 4.19Å; L389-F542 HydrophobicContact CD2-CD1 4.21Å; L389-F542 HydrophobicContact CD2-CE1 3.92Å; L389-F542 HydrophobicContact CG-CE1 4.35Å; L538-F542 HydrophobicContact CB-CD2 4.25Å; L538-F542 HydrophobicContact CD2-CE2 4.2Å; L538-F542 WeakPolarHBondContact O-CB 3.41Å; L538-F542 WeakPolarHBondContact O-CD2 3.26Å; L538-F542 PolarHBondContact O-N 3.35Å; V540-F542 VanDerWaalsContact C-N 3.3Å; V540-F542 PolarHBondContact O-N 2.78Å; F542-L544 HydrophobicContact CB-CD1 4.47Å; F542-L544 HydrophobicContact CB-CD2 3.53Å; F542-L544 HydrophobicContact CB-CG 3.76Å; F542-L544 PolarHBondContact O-N 3.14Å
543N96.6Very high84.2Confident108 Ų10849.4 Ų49.458%0.57827%0.272SS*.THydrogen-bonded Turntrans48.842.1-174.6-166.731.1000113.1P539 V540 R587P539-N543 CarbonylContact O-C 3.5Å; P539-N543 WeakPolarHBondContact O-CA 3.32Å; P539-N543 PolarHBondContact O-N 3.29Å; V540-N543 PolarHBondContact O-N 2.81Å; N543-R587 PolarHBondContact OD1-NH1 2.85Å; N543-R587 PolarHBondContact OD1-NH2 3.24Å
544L97.9Very high81.3Confident1 Ų153.7 Ų53.71%0.00531%0.305CS..  trans-69.4132.8-179.3-53.8-173.1000109.9C388 Y391 A392 F437 P539 F542 R587 P588 I590C388-L544 HydrophobicContact CB-CD1 4.21Å; C388-L544 HydrophobicContact CB-CD2 4.39Å; Y391-L544 HydrophobicContact CD1-CB 3.93Å; Y391-L544 HydrophobicContact CD1-CD1 4.16Å; Y391-L544 HydrophobicContact CD1-CD2 3.93Å; Y391-L544 HydrophobicContact CD1-CG 4.22Å; Y391-L544 HydrophobicContact CE1-CB 3.96Å; Y391-L544 HydrophobicContact CG-CD1 4.4Å; A392-L544 HydrophobicContact CB-CD2 3.81Å; F437-L544 HydrophobicContact CD1-CD1 4.17Å; F437-L544 HydrophobicContact CE1-CD1 3.72Å; P539-L544 HydrophobicContact CB-CB 4.41Å; P539-L544 HydrophobicContact CB-CD1 4.5Å; P539-L544 PolarHBondContact O-N 3.35Å; F542-L544 HydrophobicContact CB-CD1 4.47Å; F542-L544 HydrophobicContact CB-CD2 3.53Å; F542-L544 HydrophobicContact CB-CG 3.76Å; F542-L544 PolarHBondContact O-N 3.14Å; L544-R587 WeakPolarHBondContact O-CG 3.4Å; L544-R587 PolarHBondContact O-NH1 3.39Å; L544-P588 HydrophobicContact CB-CG 3.86Å; L544-P588 VanDerWaalsContact O-CD 3.29Å; L544-P588 WeakPolarHBondContact O-CD 3.22Å; L544-I590 HydrophobicContact CD1-CD1 4.19Å
545S96.8Very high78.1Confident42 Ų4256.1 Ų56.129%0.29433%0.33SS..  trans-145.7161.4178.4590000112.5H586S545-H586 CarbonylContact C-O 3.43Å; S545-H586 WeakPolarHBondContact CA-O 3.41Å; S545-H586 WeakPolarHBondContact CB-O 3.13Å
546Y96.7Very high75.2Confident20 Ų2061.7 Ų61.78%0.07837%0.369CS..EExtended strand (participates in β ladder)trans-137.6153.2171.863.7-93.3000111.2R396 H398 L401 R439 T585 H586 R587 P588R396-Y546 CarbonylContact O-C 3.55Å; R396-Y546 WeakPolarHBondContact O-CA 3.13Å; H398-Y546 HydrophobicContact CB-CD2 3.65Å; H398-Y546 HydrophobicContact CB-CE2 3.75Å; L401-Y546 HydrophobicContact CD1-CD1 3.49Å; L401-Y546 VanDerWaalsContact CD1-CD1 3.49Å; L401-Y546 HydrophobicContact CD1-CD2 4.19Å; L401-Y546 HydrophobicContact CD1-CE1 3.74Å; L401-Y546 HydrophobicContact CD1-CE2 4.41Å; L401-Y546 HydrophobicContact CD1-CG 3.73Å; R439-Y546 HydrophobicContact CG-CE1 4.33Å; R439-Y546 HydrophobicContact CG-CE2 4.14Å; R439-Y546 WeakPolarHBondContact CG-OH 3.46Å; Y546-T585 WeakPolarHBondContact O-CA 3.12Å; Y546-H586 HydrophobicContact CD1-CB 4.44Å; Y546-H586 WeakPolarHBondContact CD1-O 3.42Å; Y546-H586 HydrophobicContact CD2-CB 4.19Å; Y546-H586 HydrophobicContact CE1-CB 3.87Å; Y546-H586 HydrophobicContact CE2-CB 3.58Å; Y546-H586 PolarHBondContact N-O 3.44Å; Y546-H586 PolarHBondContact O-N 2.82Å; Y546-H586 WeakPolarHBondContact OH-CB 3.42Å; Y546-R587 VanDerWaalsContact CE1-C 3.46Å; Y546-R587 WeakPolarHBondContact CE1-O 3.49Å; Y546-P588 HydrophobicContact CD1-CB 4.15Å; Y546-P588 HydrophobicContact CE1-CB 4.25Å
547A93.1Very high71.9Confident39 Ų3968 Ų6832%0.32240%0.404SS..EExtended strand (participates in β ladder)trans-84.2138.6178.700000113.2R396 H398 N584R396-A547 PolarHBondContact O-N 3.32Å; H398-A547 PolarHBondContact N-O 2.65Å; H398-A547 PolarHBondContact ND1-O 2.84Å; A547-N584 WeakPolarHBondContact CA-O 3.34Å
548S85Confident68.8Low37 Ų3775 Ų7526%0.25944%0.441SS..  trans-83.5166.2171.6141.20000112T550 N584S548-T550 PolarHBondContact O-N 2.9Å; S548-T550 PolarHBondContact OG-N 2.87Å; S548-T550 PolarHBondContact OG-OG1 3.12Å; S548-T550 VanDerWaalsContact OG-OG1 3.07Å; S548-N584 PolarHBondContact N-O 3.49Å
549E68.4Low65.5Low140 Ų14081.5 Ų81.565%0.65448%0.476SS*.SBendtrans-64.8-8.7177.9-74.1-160.5135.400115.3H398 K399 D551H398-E549 WeakPolarHBondContact CE1-CG 3.24Å; H398-E549 VanDerWaalsContact NE2-CG 3.33Å; H398-E549 WeakPolarHBondContact NE2-CG 3.03Å; H398-E549 IonicContact NE2-OE1 2.68Å; K399-E549 WeakPolarHBondContact CE-OE1 3.3Å; K399-E549 IonicContact NZ-OE1 3.92Å; K399-E549 PolarHBondContact NZ-OE1 2.98Å; K399-E549 VanDerWaalsContact NZ-OE1 3.08Å; E549-D551 PolarHBondContact O-N 2.74Å; E549-D551 VanDerWaalsContact O-N 3.13Å
550T51.7Low62.2Low71 Ų7188 Ų8844%0.43652%0.52SS..SBendtrans-69.8112.6178.3390000111.3S548 N584S548-T550 PolarHBondContact O-N 2.9Å; S548-T550 PolarHBondContact OG-N 2.87Å; S548-T550 PolarHBondContact OG-OG1 3.12Å; S548-T550 VanDerWaalsContact OG-OG1 3.07Å; T550-N584 WeakPolarHBondContact CB-OD1 3.42Å; T550-N584 PolarHBondContact O-ND2 3.49Å; T550-N584 VanDerWaalsContact OG1-CG 3.25Å; T550-N584 PolarHBondContact OG1-OD1 3.33Å
551D43.2Very low59Low139 Ų13992.8 Ų92.874%0.74355%0.545SS*.  trans78.598.7176.1-60.7-27.5000119E549E549-D551 PolarHBondContact O-N 2.74Å; E549-D551 VanDerWaalsContact O-N 3.13Å
552N35.7Very low55.5Low141 Ų14195.8 Ų95.875%0.75457%0.566SS**  trans-50.3126.4145.5-73.6-46000109.3S554N552-S554 PolarHBondContact O-N 2.66Å
553P38.4Very low52.2Low123 Ų123101.6 Ų101.680%0.79960%0.602SS**  trans-76.969.2165.332-31.3000109G555P553-G555 PolarHBondContact O-N 2.84Å; P553-G555 VanDerWaalsContact O-N 3.12Å
554S36.1Very low48.8Very low118 Ų118100 Ų10083%0.82560%0.599SS**  trans-79.367.3149.754.10000107.2N552N552-S554 PolarHBondContact O-N 2.66Å
555G28.6Very low45.5Very low50 Ų50107.4 Ų107.452%0.51564%0.639SS.*  trans-164.185.5-17500000106.9P553 D557P553-G555 PolarHBondContact O-N 2.84Å; P553-G555 VanDerWaalsContact O-N 3.12Å; G555-D557 PolarHBondContact O-N 2.98Å
556S35.2Very low42Very low117 Ų117110.2 Ų110.282%0.81866%0.655SS**  trans-62.283.9170.852.90000109.4
557D26.9Very low38.8Very low152 Ų152115.5 Ų115.581%0.81369%0.689SS**  trans-143.891.6161.7-85.7-36000108.4G555 N559G555-D557 PolarHBondContact O-N 2.98Å; D557-N559 VanDerWaalsContact C-N 3.25Å; D557-N559 PolarHBondContact O-N 3.18Å
558N30.1Very low35.6Very low158 Ų158120.3 Ų120.385%0.84571%0.709SS**  trans-59.983.4167.6-87.3-25.6000109.9
559N27.9Very low32.9Very low138 Ų138122.2 Ų122.274%0.73873%0.727SS**  trans-138.315.9169.5-122.50000115.9D557 N561D557-N559 VanDerWaalsContact C-N 3.25Å; D557-N559 PolarHBondContact O-N 3.18Å; N559-N561 VanDerWaalsContact C-N 3.33Å
560C28.2Very low31.1Very low135 Ų135123.4 Ų123.491%0.91274%0.737SS**  trans-99.142.7162.4-67.40000111.7
561N27.4Very low29.9Very low135 Ų135123.9 Ų123.972%0.72274%0.743SS**  trans-119.167164.8-84.8-22.1000107.7N559N559-N561 VanDerWaalsContact C-N 3.33Å
562N24.4Very low29.2Very low134 Ų134124 Ų12472%0.71774%0.743SS**  trans-163.635.3167.3-95.8-20.2000112.9S564N562-S564 PolarHBondContact O-N 2.96Å
563V28.2Very low29Very low135 Ų135126.6 Ų126.682%0.81875%0.751SS**  trans-92.279.6144-172.60000105.2N565V563-N565 PolarHBondContact O-N 3.15Å
564S25.4Very low28.5Very low74 Ų74129 Ų12952%0.51775%0.751SS.*  trans-49.3111.9163.3-32.80000106.1N562 T566N562-S564 PolarHBondContact O-N 2.96Å; S564-T566 PolarHBondContact O-N 2.65Å; S564-T566 PolarHBondContact O-OG1 3.42Å
565N27.9Very low28.4Very low157 Ų157131.4 Ų131.484%0.8475%0.749SS**  trans-65.665.2157.4-83.7-24.5000107.2V563 T567V563-N565 PolarHBondContact O-N 3.15Å; N565-T567 VanDerWaalsContact C-N 3.32Å; N565-T567 PolarHBondContact O-N 3.47Å
566T24.4Very low28.8Very low101 Ų101132.9 Ų132.962%0.6275%0.75SS**  trans-67.9100.71654.30000104.9S564 N568S564-T566 PolarHBondContact O-N 2.65Å; S564-T566 PolarHBondContact O-OG1 3.42Å; T566-N568 PolarHBondContact O-N 3.27Å
567T28.1Very low28.6Very low132 Ų132131.5 Ų131.581%0.8174%0.736SS**  trans-43.993.7153.844.10000108.4N565N565-T567 VanDerWaalsContact C-N 3.32Å; N565-T567 PolarHBondContact O-N 3.47Å
568N26.2Very low29.3Very low139 Ų139131.1 Ų131.174%0.74373%0.734SS**  trans-149.1112168.8-93.2-23.3000109.6T566T566-N568 PolarHBondContact O-N 3.27Å
569A28.1Very low29.8Very low77 Ų77130.9 Ų130.964%0.63673%0.728SS**  trans66.794.9146.600000117.8S571A569-S571 VanDerWaalsContact C-N 3.26Å; A569-S571 PolarHBondContact O-N 3.17Å
570I31.5Very low30.2Very low166 Ų166133.4 Ų133.485%0.85174%0.735SS**  -31.692.8128.1-57.8159.6000109.7
571S26.8Very low31.1Very low80 Ų80129.7 Ų129.756%0.55971%0.708SS**  trans-174.1135.8156.851.50000109.8A569A569-S571 VanDerWaalsContact C-N 3.26Å; A569-S571 PolarHBondContact O-N 3.17Å
572N28.5Very low32.4Very low142 Ų142129.5 Ų129.576%0.75971%0.707SS**  trans95100.2169-53.8-21.5000115.9H574N572-H574 PolarHBondContact O-N 2.86Å
573H30.4Very low34.4Very low196 Ų196131.3 Ų131.391%0.90772%0.716SS**  trans-47.695.8157.1-65.2-76000110.9
574H28.8Very low36.9Very low173 Ų173127.5 Ų127.580%0.80169%0.691SS**  trans-119.7123.4154.8-93.4-55.4000107.5N572N572-H574 PolarHBondContact O-N 2.86Å
575E32.8Very low39.9Very low169 Ų169125.8 Ų125.879%0.7968%0.677SS**  trans-55.5128.4163.5-78.8178.8154.500107.9T577E575-T577 VanDerWaalsContact C-N 3.3Å; E575-T577 PolarHBondContact O-N 2.97Å
576P36.8Very low43Very low81 Ų81122.3 Ų122.353%0.52666%0.656SS.*  trans-6498.4173.524.2-29.3000107.5
577T32.3Very low46.4Very low88 Ų88120.3 Ų120.354%0.5464%0.637SS.*  trans-57.4152.3167.465.10000108.3E575 H579E575-T577 VanDerWaalsContact C-N 3.3Å; E575-T577 PolarHBondContact O-N 2.97Å; T577-H579 PolarHBondContact O-N 2.78Å; T577-H579 PolarHBondContact OG1-CD2 3.47Å; T577-H579 PolarHBondContact OG1-NE2 3Å
578N41.2Very low49.7Very low144 Ų144114.1 Ų114.177%0.7760%0.599SS**  trans-60.568.4170.5-85.1-31.2000110.1Q580N578-Q580 PolarHBondContact O-N 3.13Å
579H39.3Very low53.1Low152 Ų152107.6 Ų107.670%0.70456%0.564SS**  trans-63.7122.7168.2-80.4-65.7000106.3T577 T581T577-H579 PolarHBondContact O-N 2.78Å; T577-H579 PolarHBondContact OG1-CD2 3.47Å; T577-H579 PolarHBondContact OG1-NE2 3Å; H579-T581 PolarHBondContact O-N 2.77Å
580Q38.3Very low56.5Low191 Ų191103.9 Ų103.989%0.89353%0.534SS*.  trans-36.2103.4167-94.3164.1-28.700108.9N578 D582N578-Q580 PolarHBondContact O-N 3.13Å; Q580-D582 PolarHBondContact O-N 2.72Å
581T45.9Very low59.7Low57 Ų5796 Ų9635%0.3549%0.493SS..  trans-53.8136.4159.644.40000106H579 L583 T585H579-T581 PolarHBondContact O-N 2.77Å; T581-L583 PolarHBondContact O-N 3.25Å; T581-T585 WeakPolarHBondContact CB-O 3.5Å; T581-T585 VanDerWaalsContact CB-OG1 3.29Å; T581-T585 WeakPolarHBondContact CB-OG1 3.43Å; T581-T585 PolarHBondContact OG1-O 2.89Å
582D56Low63Low131 Ų13192.4 Ų92.470%0.70147%0.468SS*.  trans-43.6142.1173.1-72.6-41.3000109Q580 N584 T585Q580-D582 PolarHBondContact O-N 2.72Å; D582-N584 PolarHBondContact O-N 3.21Å; D582-T585 PolarHBondContact N-OG1 3.45Å; D582-T585 PolarHBondContact O-N 2.83Å; D582-T585 PolarHBondContact O-OG1 3.1Å
583L64.6Low66.3Low173 Ų17385.8 Ų85.891%0.90643%0.432SS*.THydrogen-bonded Turntrans-48.5-18.9-170.9-80.1159000114.9T581T581-L583 PolarHBondContact O-N 3.25Å
584N82.4Confident69.4Low55 Ų5576.5 Ų76.529%0.29439%0.39SS..THydrogen-bonded Turntrans-103.54.7179.7-67.2-9.9000115.3A547 S548 T550 D582A547-N584 WeakPolarHBondContact CA-O 3.34Å; S548-N584 PolarHBondContact N-O 3.49Å; T550-N584 WeakPolarHBondContact CB-OD1 3.42Å; T550-N584 PolarHBondContact O-ND2 3.49Å; T550-N584 VanDerWaalsContact OG1-CG 3.25Å; T550-N584 PolarHBondContact OG1-OD1 3.33Å; D582-N584 PolarHBondContact O-N 3.21Å
585T86.6Confident72.6Confident37 Ų3768.3 Ų68.323%0.22735%0.352CS..EExtended strand (participates in β ladder)trans-115132.3-177.457.20000112Y546 T581 D582Y546-T585 WeakPolarHBondContact O-CA 3.12Å; T581-T585 WeakPolarHBondContact CB-O 3.5Å; T581-T585 VanDerWaalsContact CB-OG1 3.29Å; T581-T585 WeakPolarHBondContact CB-OG1 3.43Å; T581-T585 PolarHBondContact OG1-O 2.89Å; D582-T585 PolarHBondContact N-OG1 3.45Å; D582-T585 PolarHBondContact O-N 2.83Å; D582-T585 PolarHBondContact O-OG1 3.1Å
586H94Very high75.6Confident85 Ų8560.3 Ų60.339%0.39431%0.314SS..EExtended strand (participates in β ladder)trans-123.7160.7-177.7-65.377.1000110.2S545 Y546S545-H586 CarbonylContact C-O 3.43Å; S545-H586 WeakPolarHBondContact CA-O 3.41Å; S545-H586 WeakPolarHBondContact CB-O 3.13Å; Y546-H586 HydrophobicContact CD1-CB 4.44Å; Y546-H586 WeakPolarHBondContact CD1-O 3.42Å; Y546-H586 HydrophobicContact CD2-CB 4.19Å; Y546-H586 HydrophobicContact CE1-CB 3.87Å; Y546-H586 HydrophobicContact CE2-CB 3.58Å; Y546-H586 PolarHBondContact N-O 3.44Å; Y546-H586 PolarHBondContact O-N 2.82Å; Y546-H586 WeakPolarHBondContact OH-CB 3.42Å
587R96.1Very high78.3Confident59 Ų5956.6 Ų56.622%0.22329%0.291CS..  trans-101132.8-177.7-168165.9-51.9-62.35.7110.7P539 N543 L544 Y546P539-R587 HydrophobicContact CB-CG 3.6Å; P539-R587 PolarHBondContact O-NH1 2.9Å; N543-R587 PolarHBondContact OD1-NH1 2.85Å; N543-R587 PolarHBondContact OD1-NH2 3.24Å; L544-R587 WeakPolarHBondContact O-CG 3.4Å; L544-R587 PolarHBondContact O-NH1 3.39Å; Y546-R587 VanDerWaalsContact CE1-C 3.46Å; Y546-R587 WeakPolarHBondContact CE1-O 3.49Å
588P97.7Very high81.3Confident2 Ų252.9 Ų52.91%0.01327%0.269CS..  trans-74.9163.9173.634.6-36.5000110.7Y391 F437 C438 P539 L544 Y546Y391-P588 HydrophobicContact CE1-CG 3.97Å; Y391-P588 HydrophobicContact CE2-CG 4.42Å; F437-P588 HydrophobicContact CB-CB 4.43Å; C438-P588 CarbonylContact O-C 3.58Å; C438-P588 WeakPolarHBondContact O-CA 3.39Å; P539-P588 WeakPolarHBondContact CB-O 3.36Å; P539-P588 VanDerWaalsContact CG-O 3.22Å; P539-P588 WeakPolarHBondContact CG-O 3.22Å; L544-P588 HydrophobicContact CB-CG 3.86Å; L544-P588 VanDerWaalsContact O-CD 3.29Å; L544-P588 WeakPolarHBondContact O-CD 3.22Å; Y546-P588 HydrophobicContact CD1-CB 4.15Å; Y546-P588 HydrophobicContact CE1-CB 4.25Å
589V97.5Very high84Confident1 Ų146.1 Ų46.11%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-108.1144.8165.9-174.50000108.4F437 C438 E440 I443 L534 F536F437-V589 WeakPolarHBondContact CA-O 3.36Å; C438-V589 PolarHBondContact N-O 3.27Å; C438-V589 PolarHBondContact O-N 2.96Å; E440-V589 HydrophobicContact CG-CG2 3.65Å; I443-V589 HydrophobicContact CD1-CB 4.12Å; I443-V589 HydrophobicContact CD1-CG1 3.94Å; I443-V589 HydrophobicContact CD1-CG2 4.04Å; I443-V589 HydrophobicContact CG1-CG1 4.47Å; L534-V589 HydrophobicContact CD1-CG1 3.6Å; L534-V589 HydrophobicContact CG-CG1 4.2Å; F536-V589 HydrophobicContact CD1-CG1 4.18Å; F536-V589 HydrophobicContact CD1-CG2 3.68Å; F536-V589 HydrophobicContact CD2-CG1 4.21Å; F536-V589 HydrophobicContact CE1-CB 4.29Å; F536-V589 HydrophobicContact CE1-CG1 3.95Å; F536-V589 HydrophobicContact CE1-CG2 3.31Å; F536-V589 HydrophobicContact CE2-CG1 3.96Å; F536-V589 HydrophobicContact CG-CG1 4.31Å; F536-V589 HydrophobicContact CZ-CG1 3.81Å; F536-V589 HydrophobicContact CZ-CG2 3.92Å
590I98.4Very high86.7Confident0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-104.8128.3178-56.6173.4000109.1H435 I436 F437 D535 L538 P539 L544H435-I590 HydrophobicContact CB-CG2 4.26Å; I436-I590 CarbonylContact O-C 3.59Å; I436-I590 WeakPolarHBondContact O-CA 3.27Å; F437-I590 HydrophobicContact CD1-CD1 4.06Å; F437-I590 HydrophobicContact CD1-CG1 3.68Å; F437-I590 HydrophobicContact CE1-CD1 3.54Å; F437-I590 HydrophobicContact CE1-CG1 3.69Å; F437-I590 HydrophobicContact CZ-CD1 4.31Å; D535-I590 HydrophobicContact CB-CB 4.27Å; D535-I590 PolarHBondContact N-O 3.39Å; D535-I590 PolarHBondContact O-N 2.93Å; L538-I590 HydrophobicContact CB-CD1 4.14Å; P539-I590 HydrophobicContact CG-CD1 3.81Å; P539-I590 HydrophobicContact CG-CG1 3.73Å; L544-I590 HydrophobicContact CD1-CD1 4.19Å
591I98.3Very high89.4Confident0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-101.6110164.3-60.2167.2000107.6H435 I436 E446 I447 I532 Q533 L534H435-I591 WeakPolarHBondContact CA-O 3.31Å; I436-I591 HydrophobicContact CB-CB 4.19Å; I436-I591 PolarHBondContact N-O 3.27Å; I436-I591 PolarHBondContact O-N 3.17Å; E446-I591 HydrophobicContact CB-CD1 3.41Å; E446-I591 VanDerWaalsContact CB-CD1 3.41Å; E446-I591 HydrophobicContact CG-CD1 4.32Å; I447-I591 HydrophobicContact CD1-CD1 4.06Å; I447-I591 HydrophobicContact CD1-CG1 4.33Å; I447-I591 HydrophobicContact CD1-CG2 4.02Å; I447-I591 HydrophobicContact CG1-CD1 4.29Å; I532-I591 HydrophobicContact CG2-CG2 3.66Å; Q533-I591 CarbonylContact O-C 3.54Å; Q533-I591 WeakPolarHBondContact O-CA 3.5Å; L534-I591 HydrophobicContact CD1-CG1 3.76Å
592H98Very high91.8Very high5 Ų530.8 Ų30.82%0.02315%0.154CC..EExtended strand (participates in β ladder)trans-83.7139.1172.7-53-96.2000109.3H435 Y511 I532 Q533 D535H435-H592 AromaticContact CD2-CE1 3.57Å; H435-H592 AromaticContact CD2-CG 3.92Å; H435-H592 AromaticContact CD2-ND1 3.04Å; H435-H592 PolarHBondContact CD2-ND1 2.85Å; H435-H592 AromaticContact NE2-CE1 3.7Å; H435-H592 AromaticContact NE2-CG 3.92Å; H435-H592 AromaticContact NE2-ND1 2.91Å; H435-H592 PolarHBondContact NE2-ND1 3.2Å; Y511-H592 AromaticContact CE2-CD2 3.92Å; Y511-H592 AromaticContact CE2-NE2 3.68Å; I532-H592 CarbonylContact C-O 3.58Å; I532-H592 WeakPolarHBondContact CA-O 3.34Å; Q533-H592 HydrophobicContact CB-CB 3.99Å; Q533-H592 HydrophobicContact CG-CB 4.17Å; Q533-H592 PolarHBondContact N-O 3.3Å; Q533-H592 PolarHBondContact O-N 3.34Å; D535-H592 VanDerWaalsContact CB-CD2 3.43Å; D535-H592 WeakPolarHBondContact CB-CD2 3.42Å; D535-H592 WeakPolarHBondContact CB-NE2 3.39Å; D535-H592 IonicContact OD2-CE1 3.5Å; D535-H592 IonicContact OD2-NE2 3.62Å; D535-H592 PolarHBondContact OD2-NE2 2.9Å
593R96.6Very high93.8Very high2 Ų224.6 Ų24.61%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-156.1147.7179.448162.4-73.6159.6-4.1113.7Y335 A434 C450 F453 T531Y335-R593 PolarHBondContact OH-NE 2.77Å; Y335-R593 PolarHBondContact OH-NH2 3.09Å; A434-R593 HydrophobicContact CB-CG 4.12Å; A434-R593 PolarHBondContact N-O 3.31Å; A434-R593 WeakPolarHBondContact O-CG 3.42Å; A434-R593 PolarHBondContact O-N 3.49Å; C450-R593 PolarHBondContact SG-NH1 2.95Å; F453-R593 VanDerWaalsContact CD1-NH1 3.33Å; T531-R593 VanDerWaalsContact O-CA 3.29Å; T531-R593 WeakPolarHBondContact O-CA 3.15Å
594A96.5Very high95.2Very high2 Ų216.3 Ų16.32%0.0178%0.077CC..EExtended strand (participates in β ladder)trans-141.4136.6164.600000108.2A530 T531A530-A594 WeakPolarHBondContact CA-O 3.2Å; A530-A594 WeakPolarHBondContact CB-O 3.35Å; T531-A594 PolarHBondContact N-O 3.43Å; T531-A594 PolarHBondContact O-N 3.32Å
595I96Very high95.8Very high1 Ų113.7 Ų13.71%0.0056%0.063CC..SBendtrans-98.2-45-176.8-57.4-65.2000111.2I331 Y335 D432 F453 L454 V457 Y458 A530 G597I331-I595 HydrophobicContact CD1-CB 4.23Å; I331-I595 HydrophobicContact CD1-CG2 4.33Å; Y335-I595 HydrophobicContact CE2-CG1 4.47Å; D432-I595 PolarHBondContact OD1-N 3.41Å; D432-I595 WeakPolarHBondContact OD2-CA 3.17Å; D432-I595 VanDerWaalsContact OD2-CB 3.23Å; D432-I595 WeakPolarHBondContact OD2-CB 3.44Å; D432-I595 PolarHBondContact OD2-N 2.85Å; F453-I595 HydrophobicContact CB-CD1 4.49Å; F453-I595 HydrophobicContact CD1-CD1 4.38Å; F453-I595 HydrophobicContact CD1-CG1 4.26Å; F453-I595 HydrophobicContact CE1-CG1 4.23Å; F453-I595 HydrophobicContact CG-CD1 4.31Å; F453-I595 HydrophobicContact CG-CG1 4.41Å; F453-I595 HydrophobicContact CZ-CG1 4.39Å; L454-I595 HydrophobicContact CD2-CB 4.43Å; L454-I595 HydrophobicContact CD2-CD1 3.54Å; L454-I595 HydrophobicContact CD2-CG2 4Å; L454-I595 HydrophobicContact CG-CD1 3.55Å; V457-I595 HydrophobicContact CB-CG2 3.63Å; V457-I595 HydrophobicContact CG1-CG2 3.67Å; V457-I595 HydrophobicContact CG2-CG2 3.82Å; Y458-I595 VanDerWaalsContact CE1-O 3.32Å; Y458-I595 WeakPolarHBondContact CE1-O 3.31Å; Y458-I595 VanDerWaalsContact CZ-O 3.32Å; Y458-I595 PolarHBondContact OH-O 2.7Å; A530-I595 WeakPolarHBondContact CB-O 3.31Å; I595-G597 VanDerWaalsContact C-N 3.3Å
596L95.1Very high96.3Very high0 Ų012 Ų120%05%0.053CC..SBendtrans-78-27.4172.2-56.4-177.4000110.2I331 D432 V457 F461 S598 I602I331-L596 HydrophobicContact CB-CD1 3.89Å; I331-L596 HydrophobicContact CB-CG 4.41Å; I331-L596 HydrophobicContact CD1-CD2 4.46Å; I331-L596 HydrophobicContact CD1-CG 4.27Å; I331-L596 HydrophobicContact CG1-CD1 4.04Å; I331-L596 HydrophobicContact CG1-CG 4.06Å; I331-L596 HydrophobicContact CG2-CD1 3.91Å; D432-L596 WeakPolarHBondContact OD1-CB 3.43Å; D432-L596 PolarHBondContact OD1-N 3.35Å; D432-L596 PolarHBondContact OD2-N 2.77Å; V457-L596 HydrophobicContact CG1-CD2 3.87Å; F461-L596 HydrophobicContact CE2-CD2 3.67Å; F461-L596 HydrophobicContact CZ-CD2 4.07Å; L596-S598 PolarHBondContact O-N 2.86Å; L596-I602 HydrophobicContact CB-CB 4.37Å; L596-I602 HydrophobicContact CB-CG2 4.14Å; L596-I602 HydrophobicContact CD1-CG2 4.36Å; L596-I602 HydrophobicContact CD2-CG1 4.31Å
597G92.9Very high96.3Very high3 Ų37.9 Ų7.93%0.0313%0.034CC..SBendtrans85.5-103.4-165.700000108Q431 D432 C529 I595Q431-G597 VanDerWaalsContact CA-O 3.29Å; Q431-G597 WeakPolarHBondContact CA-O 2.91Å; Q431-G597 WeakPolarHBondContact CB-O 3.38Å; Q431-G597 WeakPolarHBondContact CG-O 3.49Å; Q431-G597 PolarHBondContact NE2-O 3.01Å; D432-G597 PolarHBondContact OD1-N 2.97Å; C529-G597 WeakPolarHBondContact O-CA 3.3Å; I595-G597 VanDerWaalsContact C-N 3.3Å
598S95.6Very high96.2Very high11 Ų115.4 Ų5.48%0.0773%0.025CC..BIsolated β-bridgetrans-111.5148.316569.60000111.3Q430 L596 E600 R601 I602Q430-S598 CarbonylContact O-C 3.52Å; Q430-S598 VanDerWaalsContact O-CA 3.25Å; Q430-S598 WeakPolarHBondContact O-CA 3.05Å; Q430-S598 WeakPolarHBondContact O-CB 3.34Å; L596-S598 PolarHBondContact O-N 2.86Å; S598-E600 PolarHBondContact O-N 3.29Å; S598-R601 PolarHBondContact O-N 2.88Å; S598-R601 WeakPolarHBondContact OG-CB 3.35Å; S598-R601 PolarHBondContact OG-N 3.1Å; S598-I602 PolarHBondContact O-N 3.24Å
599V97.5Very high96Very high2 Ų26.2 Ų6.21%0.0123%0.03CC..Hα-helixtrans-60.2-39.5176.2-176.30000109.9Y324 L327 V328 Q430 I602 I603Y324-V599 HydrophobicContact CD1-CG1 4.14Å; Y324-V599 HydrophobicContact CD2-CB 4.21Å; Y324-V599 HydrophobicContact CD2-CG1 3.43Å; Y324-V599 VanDerWaalsContact CD2-CG1 3.43Å; Y324-V599 HydrophobicContact CE1-CG1 4.26Å; Y324-V599 HydrophobicContact CE2-CB 3.85Å; Y324-V599 HydrophobicContact CE2-CG1 3.59Å; Y324-V599 HydrophobicContact CG-CG1 3.74Å; L327-V599 HydrophobicContact CD1-CG1 4.48Å; V328-V599 HydrophobicContact CG2-CG1 4.3Å; V328-V599 HydrophobicContact CG2-CG2 3.84Å; Q430-V599 HydrophobicContact CB-CG2 4.35Å; Q430-V599 PolarHBondContact O-N 3.11Å; V599-I602 VanDerWaalsContact O-CG2 3.32Å; V599-I602 WeakPolarHBondContact O-CG2 3.35Å; V599-I603 HydrophobicContact CG1-CD1 3.91Å; V599-I603 HydrophobicContact CG1-CG1 4.47Å; V599-I603 WeakPolarHBondContact O-CB 3.44Å; V599-I603 WeakPolarHBondContact O-CD1 3.47Å; V599-I603 WeakPolarHBondContact O-CG1 3.35Å; V599-I603 PolarHBondContact O-N 3.33Å
600E97.4Very high95.8Very high1 Ų18 Ų81%0.0054%0.037CC..Hα-helixtrans-57.7-52.6173.9-69.776.5-175.800111.8F316 L423 V426 R428 F429 Q430 S598 I602 I603 A604F316-E600 HydrophobicContact CE2-CG 4.07Å; F316-E600 HydrophobicContact CZ-CG 4Å; L423-E600 HydrophobicContact CB-CB 4.26Å; L423-E600 WeakPolarHBondContact CB-O 3.2Å; L423-E600 HydrophobicContact CD2-CB 4.08Å; L423-E600 HydrophobicContact CD2-CG 4.12Å; L423-E600 CarbonylContact O-C 3.47Å; V426-E600 HydrophobicContact CG2-CB 4.33Å; V426-E600 HydrophobicContact CG2-CG 4.33Å; R428-E600 IonicContact CZ-OE1 3.66Å; R428-E600 IonicContact NH1-OE1 2.82Å; R428-E600 PolarHBondContact NH1-OE1 2.91Å; F429-E600 VanDerWaalsContact CA-CD 3.48Å; F429-E600 WeakPolarHBondContact CA-OE1 3.25Å; F429-E600 WeakPolarHBondContact CA-OE2 3.09Å; F429-E600 HydrophobicContact CB-CG 4.37Å; F429-E600 VanDerWaalsContact CB-OE2 3.23Å; F429-E600 WeakPolarHBondContact CB-OE2 3.26Å; Q430-E600 PolarHBondContact N-OE2 3.17Å; S598-E600 PolarHBondContact O-N 3.29Å; E600-I602 PolarHBondContact O-N 3.14Å; E600-I603 PolarHBondContact O-N 3.04Å; E600-A604 PolarHBondContact O-N 3.27Å
601R94.9Very high95.6Very high76 Ų769 Ų929%0.2875%0.048SC..Hα-helixtrans-63.9-44.4-176.8179.8175.5-66.4175.32.3111.2L423 T424 Q528 S598 I603 A604 I605L423-R601 PolarHBondContact O-N 2.87Å; T424-R601 PolarHBondContact O-NE 2.96Å; T424-R601 PolarHBondContact O-NH2 3.13Å; Q528-R601 PolarHBondContact O-NH1 3.09Å; S598-R601 PolarHBondContact O-N 2.88Å; S598-R601 WeakPolarHBondContact OG-CB 3.35Å; S598-R601 PolarHBondContact OG-N 3.1Å; R601-I603 VanDerWaalsContact C-N 3.3Å; R601-I603 PolarHBondContact O-N 3.12Å; R601-A604 WeakPolarHBondContact O-CB 3.49Å; R601-A604 PolarHBondContact O-N 3.37Å; R601-I605 HydrophobicContact CG-CD1 3.84Å; R601-I605 WeakPolarHBondContact O-CG1 3.34Å; R601-I605 PolarHBondContact O-N 2.79Å; R601-I605 VanDerWaalsContact O-N 3.07Å
602I96.1Very high95.3Very high0 Ų09 Ų90%05%0.048CC..Hα-helixtrans-66.7-33.8178.8-161.865.4000111.4L327 F461 F463 I519 L596 S598 V599 E600 A604 I605 L606L327-I602 HydrophobicContact CD1-CG2 4.03Å; F461-I602 HydrophobicContact CE2-CG1 4.37Å; F463-I602 HydrophobicContact CE2-CD1 4.24Å; I519-I602 HydrophobicContact CD1-CD1 4.13Å; L596-I602 HydrophobicContact CB-CB 4.37Å; L596-I602 HydrophobicContact CB-CG2 4.14Å; L596-I602 HydrophobicContact CD1-CG2 4.36Å; L596-I602 HydrophobicContact CD2-CG1 4.31Å; S598-I602 PolarHBondContact O-N 3.24Å; V599-I602 VanDerWaalsContact O-CG2 3.32Å; V599-I602 WeakPolarHBondContact O-CG2 3.35Å; E600-I602 PolarHBondContact O-N 3.14Å; I602-A604 PolarHBondContact O-N 3.27Å; I602-I605 PolarHBondContact O-N 3.01Å; I602-L606 HydrophobicContact CG1-CD1 3.95Å; I602-L606 HydrophobicContact CG1-CG 4.15Å; I602-L606 WeakPolarHBondContact O-CB 3.34Å; I602-L606 WeakPolarHBondContact O-CG 3.5Å; I602-L606 PolarHBondContact O-N 3.1Å
603I97.1Very high95.2Very high1 Ų113.4 Ų13.41%0.0057%0.067CC..Hα-helixtrans-61.7-43.7172.4-71.9168.8000110.9F316 I323 Y324 L327 L423 V599 E600 R601 I605 T607 W614F316-I603 HydrophobicContact CE1-CD1 3.77Å; F316-I603 HydrophobicContact CZ-CD1 4.07Å; I323-I603 HydrophobicContact CG2-CD1 4.32Å; I323-I603 HydrophobicContact CG2-CG1 3.99Å; Y324-I603 HydrophobicContact CD2-CD1 3.93Å; Y324-I603 HydrophobicContact CG-CD1 4.37Å; L327-I603 HydrophobicContact CD1-CD1 4.2Å; L327-I603 HydrophobicContact CD1-CG1 3.49Å; L327-I603 VanDerWaalsContact CD1-CG1 3.49Å; L423-I603 HydrophobicContact CD1-CB 4.1Å; L423-I603 HydrophobicContact CD1-CG2 3.66Å; V599-I603 HydrophobicContact CG1-CD1 3.91Å; V599-I603 HydrophobicContact CG1-CG1 4.47Å; V599-I603 WeakPolarHBondContact O-CB 3.44Å; V599-I603 WeakPolarHBondContact O-CD1 3.47Å; V599-I603 WeakPolarHBondContact O-CG1 3.35Å; V599-I603 PolarHBondContact O-N 3.33Å; E600-I603 PolarHBondContact O-N 3.04Å; R601-I603 VanDerWaalsContact C-N 3.3Å; R601-I603 PolarHBondContact O-N 3.12Å; I603-I605 PolarHBondContact O-N 2.96Å; I603-T607 VanDerWaalsContact O-CB 3.28Å; I603-T607 WeakPolarHBondContact O-CB 3.17Å; I603-T607 PolarHBondContact O-N 3.38Å; I603-T607 PolarHBondContact O-OG1 3.26Å; I603-W614 HydrophobicContact CG2-CH2 4.46Å
604A95.1Very high95.3Very high0 Ų013.5 Ų13.50%07%0.068CC..Hα-helixtrans-55.4-52.1174.100000111.4H294 L423 T424 E600 R601 I602 L606 T607 E608H294-A604 HydrophobicContact CB-CB 4.14Å; L423-A604 HydrophobicContact CB-CB 3.88Å; T424-A604 HydrophobicContact CG2-CB 3.74Å; E600-A604 PolarHBondContact O-N 3.27Å; R601-A604 WeakPolarHBondContact O-CB 3.49Å; R601-A604 PolarHBondContact O-N 3.37Å; I602-A604 PolarHBondContact O-N 3.27Å; A604-L606 PolarHBondContact O-N 2.94Å; A604-T607 WeakPolarHBondContact O-CB 3.45Å; A604-T607 PolarHBondContact O-N 2.93Å; A604-E608 PolarHBondContact O-N 3.41Å
605I94.7Very high95.4Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-66.9-40-174.6-63165.5000111.3F463 I519 D521 H527 C529 R601 I602 I603 E608 S609F463-I605 HydrophobicContact CE1-CG2 4.43Å; F463-I605 HydrophobicContact CE2-CG2 4.27Å; F463-I605 HydrophobicContact CZ-CG2 3.81Å; I519-I605 HydrophobicContact CD1-CD1 4.06Å; I519-I605 HydrophobicContact CD1-CG2 3.83Å; D521-I605 HydrophobicContact CB-CG2 4.4Å; H527-I605 HydrophobicContact CB-CD1 3.52Å; H527-I605 HydrophobicContact CB-CG1 4.3Å; C529-I605 WeakPolarHBondContact SG-CD1 3.48Å; R601-I605 HydrophobicContact CG-CD1 3.84Å; R601-I605 WeakPolarHBondContact O-CG1 3.34Å; R601-I605 PolarHBondContact O-N 2.79Å; R601-I605 VanDerWaalsContact O-N 3.07Å; I602-I605 PolarHBondContact O-N 3.01Å; I603-I605 PolarHBondContact O-N 2.96Å; I605-E608 PolarHBondContact O-N 2.97Å; I605-S609 WeakPolarHBondContact O-CB 3.45Å; I605-S609 PolarHBondContact O-N 2.92Å; I605-S609 PolarHBondContact O-OG 3Å
606L95.9Very high95.5Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-67.3-40.7175.3-68.4170.4000111.7L327 F461 F463 I602 A604 E608 S609 Y610 W614 L618L327-L606 HydrophobicContact CD1-CD1 4.18Å; L327-L606 HydrophobicContact CD2-CD1 3.9Å; F461-L606 HydrophobicContact CB-CD2 3.97Å; F461-L606 HydrophobicContact CD1-CD1 4.31Å; F461-L606 HydrophobicContact CD1-CD2 3.81Å; F461-L606 HydrophobicContact CE1-CD1 4.1Å; F461-L606 HydrophobicContact CE1-CD2 4.42Å; F461-L606 HydrophobicContact CG-CD2 3.86Å; F461-L606 HydrophobicContact CZ-CD1 4.42Å; F463-L606 HydrophobicContact CE2-CD2 3.62Å; F463-L606 HydrophobicContact CE2-CG 4.44Å; F463-L606 HydrophobicContact CZ-CD2 3.75Å; I602-L606 HydrophobicContact CG1-CD1 3.95Å; I602-L606 HydrophobicContact CG1-CG 4.15Å; I602-L606 WeakPolarHBondContact O-CB 3.34Å; I602-L606 WeakPolarHBondContact O-CG 3.5Å; I602-L606 PolarHBondContact O-N 3.1Å; A604-L606 PolarHBondContact O-N 2.94Å; L606-E608 VanDerWaalsContact C-N 3.3Å; L606-E608 PolarHBondContact O-N 3.47Å; L606-S609 PolarHBondContact O-N 3.32Å; L606-Y610 HydrophobicContact CB-CD2 4.21Å; L606-Y610 HydrophobicContact CB-CE2 4.03Å; L606-Y610 HydrophobicContact CD2-CE2 3.62Å; L606-Y610 HydrophobicContact CG-CE2 4.36Å; L606-Y610 WeakPolarHBondContact O-CB 3.39Å; L606-Y610 VanDerWaalsContact O-CD2 3.23Å; L606-Y610 WeakPolarHBondContact O-CD2 3.2Å; L606-Y610 PolarHBondContact O-N 3.26Å; L606-W614 HydrophobicContact CB-CH2 4.16Å; L606-W614 HydrophobicContact CB-CZ3 3.8Å; L606-L618 HydrophobicContact CD1-CD2 4.06Å
607T95.5Very high95.6Very high0 Ų014.4 Ų14.40%07%0.071CC..Hα-helixtrans-57.8-46.8175.5-57.20000110.4H294 L297 I603 A604 G611 G612 W614H294-T607 HydrophobicContact CB-CG2 3.98Å; L297-T607 HydrophobicContact CB-CG2 3.71Å; L297-T607 HydrophobicContact CD1-CG2 4Å; I603-T607 VanDerWaalsContact O-CB 3.28Å; I603-T607 WeakPolarHBondContact O-CB 3.17Å; I603-T607 PolarHBondContact O-N 3.38Å; I603-T607 PolarHBondContact O-OG1 3.26Å; A604-T607 WeakPolarHBondContact O-CB 3.45Å; A604-T607 PolarHBondContact O-N 2.93Å; T607-G611 CarbonylContact O-C 3.54Å; T607-G611 WeakPolarHBondContact O-CA 3.04Å; T607-G611 PolarHBondContact O-N 2.78Å; T607-G612 PolarHBondContact O-N 2.73Å; T607-W614 HydrophobicContact CG2-CZ2 4.28Å; T607-W614 VanDerWaalsContact OG1-CH2 3.28Å; T607-W614 WeakPolarHBondContact OG1-CH2 3.08Å; T607-W614 WeakPolarHBondContact OG1-CZ2 3.18Å
608E93.4Very high95.9Very high6 Ų614.3 Ų14.33%0.0287%0.07CC..Hα-helixtrans-69.5-44.3179.9-77.6169.2175.100112.2R292 H294 R525 A604 I605 L606 G611R292-E608 WeakPolarHBondContact CD-O 3.39Å; R292-E608 WeakPolarHBondContact O-CA 3.42Å; R292-E608 WeakPolarHBondContact O-CG 3.32Å; H294-E608 HydrophobicContact CB-CG 4.05Å; H294-E608 IonicContact CE1-OE1 2.79Å; H294-E608 IonicContact CG-OE1 3.45Å; H294-E608 PolarHBondContact N-OE1 3.08Å; H294-E608 VanDerWaalsContact N-OE1 3.08Å; H294-E608 IonicContact ND1-OE1 3.46Å; H294-E608 PolarHBondContact ND1-OE1 2.87Å; R525-E608 IonicContact CZ-OE2 3.52Å; R525-E608 IonicContact NH1-OE2 3.51Å; R525-E608 VanDerWaalsContact NH2-CD 3.27Å; R525-E608 IonicContact NH2-OE1 2.78Å; R525-E608 IonicContact NH2-OE2 2.96Å; R525-E608 PolarHBondContact NH2-OE2 2.98Å; A604-E608 PolarHBondContact O-N 3.41Å; I605-E608 PolarHBondContact O-N 2.97Å; L606-E608 VanDerWaalsContact C-N 3.3Å; L606-E608 PolarHBondContact O-N 3.47Å; E608-G611 PolarHBondContact O-N 3.1Å; E608-G611 VanDerWaalsContact O-N 3.17Å
609S93.1Very high96Very high19 Ų1913.8 Ų13.813%0.1337%0.066CC..Hα-helixtrans-66.9-41.2-177.6-60.80000112.2F463 I605 L606 G611F463-S609 WeakPolarHBondContact CE1-OG 3.16Å; I605-S609 WeakPolarHBondContact O-CB 3.45Å; I605-S609 PolarHBondContact O-N 2.92Å; I605-S609 PolarHBondContact O-OG 3Å; L606-S609 PolarHBondContact O-N 3.32Å; S609-G611 VanDerWaalsContact C-N 3.3Å
610Y94.3Very high96Very high38 Ų3814.2 Ų14.215%0.1497%0.069CC..THydrogen-bonded Turntrans-83.5-5.5175.4-56.3-36.3000113.1F461 L606 G612 K613 W614 P615 L719F461-Y610 PolarHBondContact O-OH 2.89Å; L606-Y610 HydrophobicContact CB-CD2 4.21Å; L606-Y610 HydrophobicContact CB-CE2 4.03Å; L606-Y610 HydrophobicContact CD2-CE2 3.62Å; L606-Y610 HydrophobicContact CG-CE2 4.36Å; L606-Y610 WeakPolarHBondContact O-CB 3.39Å; L606-Y610 VanDerWaalsContact O-CD2 3.23Å; L606-Y610 WeakPolarHBondContact O-CD2 3.2Å; L606-Y610 PolarHBondContact O-N 3.26Å; Y610-G612 PolarHBondContact O-N 3.34Å; Y610-K613 VanDerWaalsContact O-CB 3.29Å; Y610-K613 WeakPolarHBondContact O-CB 3.2Å; Y610-K613 PolarHBondContact O-N 2.9Å; Y610-W614 HydrophobicContact CD2-CE3 4.1Å; Y610-W614 HydrophobicContact CD2-CZ3 4.37Å; Y610-P615 HydrophobicContact CD2-CG 4.44Å; Y610-P615 VanDerWaalsContact CE2-CD 3.47Å; Y610-P615 HydrophobicContact CE2-CG 3.87Å; Y610-L719 HydrophobicContact CE1-CD2 4.28Å
611G92.8Very high96Very high23 Ų2316.4 Ų16.424%0.2378%0.077CC..THydrogen-bonded Turntrans54.635.3-172.900000112.6L297 T607 E608 S609 K613L297-G611 VanDerWaalsContact CD1-C 3.45Å; T607-G611 CarbonylContact O-C 3.54Å; T607-G611 WeakPolarHBondContact O-CA 3.04Å; T607-G611 PolarHBondContact O-N 2.78Å; E608-G611 PolarHBondContact O-N 3.1Å; E608-G611 VanDerWaalsContact O-N 3.17Å; S609-G611 VanDerWaalsContact C-N 3.3Å; G611-K613 PolarHBondContact O-N 3.22Å
612G93.5Very high96.2Very high0 Ų013.2 Ų13.20%07%0.066CC..THydrogen-bonded Turntrans744.4-17600000115.4Q301 T607 Y610 W614Q301-G612 PolarHBondContact NE2-O 3.36Å; T607-G612 PolarHBondContact O-N 2.73Å; Y610-G612 PolarHBondContact O-N 3.34Å; G612-W614 VanDerWaalsContact O-CD1 3.29Å; G612-W614 PolarHBondContact O-N 3.18Å
613K95.7Very high96.3Very high96 Ų9613.2 Ų13.242%0.4177%0.066SC..  trans-90.172.4175.3-66.3-170.5175-169.20110.9Y610 G611Y610-K613 VanDerWaalsContact O-CB 3.29Å; Y610-K613 WeakPolarHBondContact O-CB 3.2Å; Y610-K613 PolarHBondContact O-N 2.9Å; G611-K613 PolarHBondContact O-N 3.22Å
614W97.8Very high96.4Very high4 Ų413.6 Ų13.62%0.0157%0.068CC..  trans-57.5138.5-173.9-61.294.4000113L303 I323 I603 L606 T607 Y610 G612 L618 N673 R693L303-W614 HydrophobicContact CD1-CZ2 3.77Å; I323-W614 HydrophobicContact CD1-CD2 3.9Å; I323-W614 VanDerWaalsContact CD1-CE2 3.5Å; I323-W614 HydrophobicContact CD1-CE3 4.24Å; I323-W614 HydrophobicContact CD1-CH2 3.9Å; I323-W614 HydrophobicContact CD1-CZ2 3.52Å; I323-W614 HydrophobicContact CD1-CZ3 4.24Å; I323-W614 HydrophobicContact CG1-CD2 4.43Å; I323-W614 HydrophobicContact CG1-CE3 4.45Å; I323-W614 HydrophobicContact CG2-CE3 4.45Å; I323-W614 HydrophobicContact CG2-CH2 4.01Å; I323-W614 HydrophobicContact CG2-CZ3 3.86Å; I603-W614 HydrophobicContact CG2-CH2 4.46Å; L606-W614 HydrophobicContact CB-CH2 4.16Å; L606-W614 HydrophobicContact CB-CZ3 3.8Å; T607-W614 HydrophobicContact CG2-CZ2 4.28Å; T607-W614 VanDerWaalsContact OG1-CH2 3.28Å; T607-W614 WeakPolarHBondContact OG1-CH2 3.08Å; T607-W614 WeakPolarHBondContact OG1-CZ2 3.18Å; Y610-W614 HydrophobicContact CD2-CE3 4.1Å; Y610-W614 HydrophobicContact CD2-CZ3 4.37Å; G612-W614 VanDerWaalsContact O-CD1 3.29Å; G612-W614 PolarHBondContact O-N 3.18Å; W614-L618 HydrophobicContact CE3-CD2 3.64Å; W614-L618 HydrophobicContact CE3-CG 3.98Å; W614-L618 HydrophobicContact CZ3-CD2 3.69Å; W614-L618 HydrophobicContact CZ3-CG 4.31Å; W614-N673 PolarHBondContact O-ND2 3.12Å; W614-R693 PolarHBondContact O-NH2 3.16Å
615P97.9Very high96.6Very high5 Ų513.6 Ų13.63%0.0327%0.068CC..  trans-65.2150.5172.328.6-34.4000109.8Y610 W617 L618 S619 L719Y610-P615 HydrophobicContact CD2-CG 4.44Å; Y610-P615 VanDerWaalsContact CE2-CD 3.47Å; Y610-P615 HydrophobicContact CE2-CG 3.87Å; P615-W617 VanDerWaalsContact C-N 3.29Å; P615-W617 PolarHBondContact O-N 3.45Å; P615-W617 VanDerWaalsContact O-N 3.15Å; P615-L618 HydrophobicContact CG-CB 4.02Å; P615-L618 PolarHBondContact O-N 3.28Å; P615-S619 WeakPolarHBondContact O-CB 3.41Å; P615-S619 PolarHBondContact O-N 3.15Å; P615-L719 HydrophobicContact CB-CD2 3.9Å; P615-L719 HydrophobicContact CG-CD2 4.03Å
616F98.5Very high96.7Very high0 Ų013.6 Ų13.60%07%0.068CC..THydrogen-bonded Turntrans-51.7-44.9-169.2-179.8-101.7000113.4L618 S619 Q622 V623 F648 N673 F674 F710 L713 A714 A721F616-L618 PolarHBondContact O-N 2.63Å; F616-S619 PolarHBondContact O-N 2.79Å; F616-Q622 HydrophobicContact CD2-CB 4.02Å; F616-Q622 HydrophobicContact CD2-CG 3.88Å; F616-Q622 HydrophobicContact CE2-CB 3.56Å; F616-Q622 HydrophobicContact CE2-CG 3.76Å; F616-Q622 HydrophobicContact CG-CG 4.44Å; F616-Q622 HydrophobicContact CZ-CB 4.17Å; F616-Q622 HydrophobicContact CZ-CG 4.18Å; F616-Q622 VanDerWaalsContact O-CG 3.24Å; F616-Q622 WeakPolarHBondContact O-CG 3.37Å; F616-Q622 PolarHBondContact O-NE2 2.84Å; F616-V623 HydrophobicContact CE2-CG2 4.44Å; F616-F648 HydrophobicContact CE1-CD1 4.17Å; F616-F648 AromaticContact CE1-CE1 3.95Å; F616-F648 HydrophobicContact CE1-CE1 3.95Å; F616-F648 AromaticContact CZ-CD1 3.9Å; F616-F648 HydrophobicContact CZ-CD1 3.9Å; F616-F648 HydrophobicContact CZ-CE1 4.05Å; F616-N673 HydrophobicContact CD2-CB 3.89Å; F616-F674 AromaticContact CD2-CD2 3.78Å; F616-F674 HydrophobicContact CD2-CD2 3.78Å; F616-F674 AromaticContact CD2-CE2 3.62Å; F616-F674 HydrophobicContact CD2-CE2 3.62Å; F616-F674 AromaticContact CE2-CD2 3.7Å; F616-F674 HydrophobicContact CE2-CD2 3.7Å; F616-F674 AromaticContact CE2-CE2 3.83Å; F616-F674 HydrophobicContact CE2-CE2 3.83Å; F616-F674 HydrophobicContact CG-CE2 4.33Å; F616-F710 HydrophobicContact CE1-CB 3.95Å; F616-F710 HydrophobicContact CE1-CD1 4.48Å; F616-F710 HydrophobicContact CE1-CG 4.27Å; F616-F710 WeakPolarHBondContact CE1-O 3.36Å; F616-F710 HydrophobicContact CE2-CD1 4.2Å; F616-F710 HydrophobicContact CE2-CD2 4.49Å; F616-F710 HydrophobicContact CE2-CE1 4.39Å; F616-F710 HydrophobicContact CE2-CG 4.25Å; F616-F710 HydrophobicContact CZ-CB 3.67Å; F616-F710 AromaticContact CZ-CD1 3.84Å; F616-F710 HydrophobicContact CZ-CD1 3.84Å; F616-F710 AromaticContact CZ-CD2 3.98Å; F616-F710 HydrophobicContact CZ-CD2 3.98Å; F616-F710 HydrophobicContact CZ-CE1 4.46Å; F616-F710 AromaticContact CZ-CG 3.56Å; F616-F710 HydrophobicContact CZ-CG 3.56Å; F616-L713 HydrophobicContact CD1-CB 3.96Å; F616-L713 HydrophobicContact CE1-CB 4.32Å; F616-A714 HydrophobicContact CD1-CB 4.38Å; F616-A714 HydrophobicContact CE1-CB 4.19Å; F616-A721 HydrophobicContact CB-CB 3.41Å; F616-A721 VanDerWaalsContact CB-CB 3.41Å; F616-A721 HydrophobicContact CG-CB 4.25Å
617W98Very high96.8Very high18 Ų1813.6 Ų13.67%0.0687%0.068CC..THydrogen-bonded Turntrans-65.8-22.3-177.774.3-91.2000114.4T326 L327 F330 V460 F461 P615 R717T326-W617 HydrophobicContact CG2-CE3 3.81Å; T326-W617 HydrophobicContact CG2-CZ3 3.84Å; T326-W617 WeakPolarHBondContact CG2-O 3.41Å; L327-W617 HydrophobicContact CD2-CH2 4.43Å; F330-W617 HydrophobicContact CB-CH2 4.49Å; F330-W617 HydrophobicContact CB-CZ3 4.14Å; F330-W617 HydrophobicContact CD1-CH2 4.07Å; F330-W617 HydrophobicContact CG-CH2 4.23Å; F330-W617 HydrophobicContact CG-CZ3 4.3Å; V460-W617 HydrophobicContact CG1-CZ2 3.9Å; F461-W617 HydrophobicContact CD1-CZ2 4.12Å; F461-W617 AromaticContact CE1-CH2 3.76Å; F461-W617 HydrophobicContact CE1-CH2 3.76Å; F461-W617 AromaticContact CE1-CZ2 3.74Å; F461-W617 HydrophobicContact CE1-CZ2 3.74Å; P615-W617 VanDerWaalsContact C-N 3.29Å; P615-W617 PolarHBondContact O-N 3.45Å; P615-W617 VanDerWaalsContact O-N 3.15Å; W617-R717 HydrophobicContact CD2-CB 4.28Å; W617-R717 HydrophobicContact CD2-CG 4.3Å; W617-R717 HydrophobicContact CG-CB 4.13Å; W617-R717 HydrophobicContact CG-CG 4.33Å; W617-R717 PolarHBondContact NE1-O 3.29Å
618L98Very high96.9Very high0 Ų016.5 Ų16.50%09%0.085CC..THydrogen-bonded Turntrans-107.3-14.7-177.9-167.160.6000113I323 T326 L327 L606 W614 P615 F616I323-L618 WeakPolarHBondContact CG1-O 3.35Å; I323-L618 HydrophobicContact CG2-CD1 4.05Å; I323-L618 HydrophobicContact CG2-CD2 4.39Å; I323-L618 HydrophobicContact CG2-CG 4.11Å; T326-L618 HydrophobicContact CG2-CD1 3.75Å; L327-L618 HydrophobicContact CD2-CD1 3.94Å; L327-L618 HydrophobicContact CD2-CD2 4.21Å; L327-L618 HydrophobicContact CG-CD1 3.79Å; L606-L618 HydrophobicContact CD1-CD2 4.06Å; W614-L618 HydrophobicContact CE3-CD2 3.64Å; W614-L618 HydrophobicContact CE3-CG 3.98Å; W614-L618 HydrophobicContact CZ3-CD2 3.69Å; W614-L618 HydrophobicContact CZ3-CG 4.31Å; P615-L618 HydrophobicContact CG-CB 4.02Å; P615-L618 PolarHBondContact O-N 3.28Å; F616-L618 PolarHBondContact O-N 2.63Å
619S98.4Very high97Very high1 Ų119.6 Ų19.61%0.00711%0.105CC..  trans-68.2128.2-170179.90000112.3H322 P615 F616 R621 Q622 N673H322-S619 PolarHBondContact NE2-O 2.68Å; P615-S619 WeakPolarHBondContact O-CB 3.41Å; P615-S619 PolarHBondContact O-N 3.15Å; F616-S619 PolarHBondContact O-N 2.79Å; S619-R621 PolarHBondContact O-N 3.02Å; S619-R621 VanDerWaalsContact O-N 3.16Å; S619-R621 VanDerWaalsContact OG-C 3.29Å; S619-R621 PolarHBondContact OG-N 3.05Å; S619-R621 VanDerWaalsContact OG-N 3.16Å; S619-R621 PolarHBondContact OG-O 3.4Å; S619-Q622 WeakPolarHBondContact O-CG 3.35Å; S619-N673 WeakPolarHBondContact CB-OD1 3.19Å; S619-N673 PolarHBondContact OG-OD1 3.37Å
620P97.8Very high97.1Very high11 Ų1121.8 Ų21.87%0.07112%0.12CC..THydrogen-bonded Turntrans-73.7-1.5171.132.2-35000113L303 A319 H322 I323L303-P620 HydrophobicContact CD2-CG 4.31Å; A319-P620 HydrophobicContact CB-CB 3.7Å; A319-P620 HydrophobicContact CB-CG 3.96Å; A319-P620 WeakPolarHBondContact O-CB 3.49Å; H322-P620 HydrophobicContact CB-CB 4.23Å; I323-P620 HydrophobicContact CD1-CG 3.96Å; I323-P620 HydrophobicContact CG1-CG 4.19Å
621R97.7Very high97.2Very high46 Ų4624 Ų2417%0.17415%0.146CC..THydrogen-bonded Turntrans-13761.1-175.9-65.9-178.3-179.1946109Q301 S619 L670 N672 N673Q301-R621 PolarHBondContact O-NH1 2.83Å; Q301-R621 PolarHBondContact O-NH2 3.41Å; S619-R621 PolarHBondContact O-N 3.02Å; S619-R621 VanDerWaalsContact O-N 3.16Å; S619-R621 VanDerWaalsContact OG-C 3.29Å; S619-R621 PolarHBondContact OG-N 3.05Å; S619-R621 VanDerWaalsContact OG-N 3.16Å; S619-R621 PolarHBondContact OG-O 3.4Å; R621-L670 WeakPolarHBondContact CD-O 3.43Å; R621-N672 WeakPolarHBondContact O-CA 3.44Å; R621-N673 PolarHBondContact O-N 2.96Å; R621-N673 VanDerWaalsContact O-N 3.17Å; R621-N673 PolarHBondContact O-OD1 3.26Å
622Q98.5Very high97.4Very high9 Ų923 Ų234%0.04214%0.135CC..  trans-63.8-47.5-179.6-75.4170.6-35.700111.4F616 S619 M649 N673 F674F616-Q622 HydrophobicContact CD2-CB 4.02Å; F616-Q622 HydrophobicContact CD2-CG 3.88Å; F616-Q622 HydrophobicContact CE2-CB 3.56Å; F616-Q622 HydrophobicContact CE2-CG 3.76Å; F616-Q622 HydrophobicContact CG-CG 4.44Å; F616-Q622 HydrophobicContact CZ-CB 4.17Å; F616-Q622 HydrophobicContact CZ-CG 4.18Å; F616-Q622 VanDerWaalsContact O-CG 3.24Å; F616-Q622 WeakPolarHBondContact O-CG 3.37Å; F616-Q622 PolarHBondContact O-NE2 2.84Å; S619-Q622 WeakPolarHBondContact O-CG 3.35Å; Q622-M649 HydrophobicContact CB-CB 4.23Å; Q622-M649 WeakPolarHBondContact CB-O 3.01Å; Q622-M649 HydrophobicContact CG-CB 4.28Å; Q622-M649 PolarHBondContact N-O 2.95Å; Q622-N673 WeakPolarHBondContact O-CB 3.46Å; Q622-N673 PolarHBondContact O-N 3.1Å; Q622-F674 PolarHBondContact O-N 3.43Å
623V98.7Very high97.6Very high0 Ų024.4 Ų24.40%014%0.143CC..EExtended strand (participates in β ladder)trans-137136.1-169.2-167.90000112.7F616 L643 M649 V650 S651 N672 F674 L676 F710F616-V623 HydrophobicContact CE2-CG2 4.44Å; V623-L643 HydrophobicContact CG1-CD1 4.06Å; V623-M649 PolarHBondContact N-O 3.26Å; V623-V650 HydrophobicContact CB-CB 4.07Å; V623-V650 HydrophobicContact CB-CG2 3.91Å; V623-V650 HydrophobicContact CG1-CG2 4.09Å; V623-V650 WeakPolarHBondContact O-CA 3.35Å; V623-S651 PolarHBondContact O-N 2.65Å; V623-N672 PolarHBondContact O-ND2 3Å; V623-F674 CarbonylContact C-O 3.6Å; V623-F674 WeakPolarHBondContact CA-O 3.48Å; V623-L676 HydrophobicContact CG1-CD1 3.5Å; V623-L676 HydrophobicContact CG1-CG 3.62Å; V623-F710 HydrophobicContact CG1-CE2 4.43Å; V623-F710 HydrophobicContact CG2-CD2 4.09Å; V623-F710 HydrophobicContact CG2-CE2 3.42Å; V623-F710 VanDerWaalsContact CG2-CE2 3.42Å; V623-F710 HydrophobicContact CG2-CZ 4.02Å
624L98.7Very high97.8Very high9 Ų928 Ų285%0.04716%0.161CC..EExtended strand (participates in β ladder)trans-117.7120.3165.9176.466.4000110V626 S651 D653 G667 N672 F674 I675 L676L624-V626 HydrophobicContact CD2-CG2 3.86Å; L624-V626 HydrophobicContact CG-CG2 3.78Å; L624-S651 CarbonylContact C-O 3.57Å; L624-S651 WeakPolarHBondContact CA-O 3.33Å; L624-S651 WeakPolarHBondContact CD1-OG 3.43Å; L624-D653 HydrophobicContact CD1-CB 4.21Å; L624-G667 VanDerWaalsContact CD2-CA 3.43Å; L624-N672 HydrophobicContact CB-CB 4.24Å; L624-F674 PolarHBondContact N-O 3.28Å; L624-I675 CarbonylContact O-C 3.56Å; L624-I675 VanDerWaalsContact O-CA 3.3Å; L624-I675 WeakPolarHBondContact O-CA 3.31Å; L624-L676 PolarHBondContact O-N 3.47Å
625V98.8Very high97.8Very high0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-90.3132.3172.6-170.10000109.7A636 V639 K640 L643 V650 S651 V652 D653 L676 V678V625-A636 HydrophobicContact CG1-CB 3.84Å; V625-V639 HydrophobicContact CG1-CB 4.4Å; V625-V639 HydrophobicContact CG1-CG1 4.25Å; V625-V639 HydrophobicContact CG2-CG1 4.03Å; V625-K640 HydrophobicContact CG2-CB 4.16Å; V625-L643 HydrophobicContact CG2-CD1 4.31Å; V625-V650 HydrophobicContact CG2-CG2 3.81Å; V625-S651 PolarHBondContact N-O 3.43Å; V625-V652 HydrophobicContact CB-CB 4.35Å; V625-V652 HydrophobicContact CB-CG2 4.14Å; V625-V652 WeakPolarHBondContact O-CA 3.39Å; V625-V652 WeakPolarHBondContact O-CG2 3.47Å; V625-D653 PolarHBondContact O-N 3.39Å; V625-L676 CarbonylContact C-O 3.56Å; V625-L676 WeakPolarHBondContact CA-O 3.08Å; V625-L676 HydrophobicContact CG2-CB 4.47Å; V625-V678 HydrophobicContact CG1-CG1 4.43Å; V625-V678 HydrophobicContact CG1-CG2 4.35Å
626V98.3Very high97.8Very high0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-131104.7-173.6-178.90000110.4L624 L660 K663 I675 L676 V677 V678L624-V626 HydrophobicContact CD2-CG2 3.86Å; L624-V626 HydrophobicContact CG-CG2 3.78Å; V626-L660 HydrophobicContact CG1-CD1 3.56Å; V626-K663 HydrophobicContact CG1-CB 3.52Å; V626-K663 HydrophobicContact CG1-CD 3.72Å; V626-K663 HydrophobicContact CG1-CG 4.27Å; V626-K663 HydrophobicContact CG2-CB 4.25Å; V626-I675 HydrophobicContact CG2-CG2 3.75Å; V626-L676 PolarHBondContact N-O 3.49Å; V626-V677 HydrophobicContact CB-CG2 4.39Å; V626-V677 VanDerWaalsContact O-CA 3.31Å; V626-V677 WeakPolarHBondContact O-CA 3.46Å; V626-V678 PolarHBondContact O-N 3.5Å
627P98.3Very high97.8Very high0 Ų032.5 Ų32.50%018%0.182CC..EExtended strand (participates in β ladder)trans-69.2137.4170.124.7-28000111.2C632 D633 A636 D653 T654 V678P627-C632 HydrophobicContact CB-CB 3.84Å; P627-D633 WeakPolarHBondContact CB-OD1 3.06Å; P627-D633 WeakPolarHBondContact CG-OD1 3.42Å; P627-A636 HydrophobicContact CB-CB 3.96Å; P627-A636 HydrophobicContact CG-CB 3.92Å; P627-D653 WeakPolarHBondContact CD-O 3.45Å; P627-T654 HydrophobicContact CG-CG2 4.23Å; P627-V678 WeakPolarHBondContact CA-O 3.4Å; P627-V678 HydrophobicContact CB-CG2 4.16Å
628V97.2Very high97.9Very high61 Ų6135 Ų3537%0.3720%0.197SC..SBendtrans-67.1-40178175.80000111L660 V677 V678V628-L660 HydrophobicContact CG1-CD2 4.32Å; V628-L660 HydrophobicContact CG2-CD1 4.47Å; V628-L660 HydrophobicContact CG2-CD2 4.21Å; V628-V677 HydrophobicContact CG2-CG1 3.52Å; V628-V678 WeakPolarHBondContact CG2-O 3.26Å; V628-V678 PolarHBondContact N-O 2.78Å
629V95.4Very high97.9Very high72 Ų7235 Ų3544%0.43620%0.197SC..SBendtrans-140.9159.7176.9-69.30000109.8A631 C632V629-A631 HydrophobicContact CG2-CB 4.16Å; V629-A631 PolarHBondContact O-N 2.83Å; V629-A631 VanDerWaalsContact O-N 3.14Å; V629-C632 WeakPolarHBondContact O-CB 3.23Å; V629-C632 PolarHBondContact O-N 2.97Å
630S95.3Very high97.9Very high64 Ų6437.1 Ų37.145%0.44821%0.206SC..G310 helixtrans-61.4-23.2-177.9-65.20000114.5C632 D633S630-C632 PolarHBondContact O-N 2.9Å; S630-C632 VanDerWaalsContact O-N 3.14Å; S630-D633 WeakPolarHBondContact CA-OD2 3.22Å; S630-D633 WeakPolarHBondContact CB-OD2 3.5Å; S630-D633 VanDerWaalsContact O-CB 3.32Å; S630-D633 WeakPolarHBondContact O-CB 3.12Å; S630-D633 VanDerWaalsContact O-CG 3.23Å; S630-D633 PolarHBondContact O-N 2.91Å; S630-D633 VanDerWaalsContact O-N 3.09Å
631A96.4Very high97.9Very high85 Ų8539.6 Ų39.670%0.70222%0.219SC*.G310 helixtrans-62.3-17.1171.600000113.2V629V629-A631 HydrophobicContact CG2-CB 4.16Å; V629-A631 PolarHBondContact O-N 2.83Å; V629-A631 VanDerWaalsContact O-N 3.14Å
632C97.1Very high98Very high1 Ų141 Ų411%0.00722%0.224CC..G310 helixtrans-96.80.4177.5-53.30000113.4P627 V629 S630 E634 Y635 A636 I683P627-C632 HydrophobicContact CB-CB 3.84Å; V629-C632 WeakPolarHBondContact O-CB 3.23Å; V629-C632 PolarHBondContact O-N 2.97Å; S630-C632 PolarHBondContact O-N 2.9Å; S630-C632 VanDerWaalsContact O-N 3.14Å; C632-E634 PolarHBondContact O-N 2.6Å; C632-Y635 PolarHBondContact O-N 2.79Å; C632-A636 PolarHBondContact O-N 2.9Å; C632-I683 HydrophobicContact CB-CD1 3.76Å; C632-I683 VanDerWaalsContact SG-CD1 3.58Å
633D98Very high98Very high31 Ų3140.6 Ų40.617%0.16622%0.222CC..Hα-helixtrans-62.7-40.3-172.5-72.6-16.6000112.2P627 S630 Y635 A636 I637 T654P627-D633 WeakPolarHBondContact CB-OD1 3.06Å; P627-D633 WeakPolarHBondContact CG-OD1 3.42Å; S630-D633 WeakPolarHBondContact CA-OD2 3.22Å; S630-D633 WeakPolarHBondContact CB-OD2 3.5Å; S630-D633 VanDerWaalsContact O-CB 3.32Å; S630-D633 WeakPolarHBondContact O-CB 3.12Å; S630-D633 VanDerWaalsContact O-CG 3.23Å; S630-D633 PolarHBondContact O-N 2.91Å; S630-D633 VanDerWaalsContact O-N 3.09Å; D633-Y635 PolarHBondContact O-N 2.91Å; D633-A636 WeakPolarHBondContact O-CB 3.29Å; D633-A636 PolarHBondContact O-N 3.01Å; D633-I637 VanDerWaalsContact O-CG1 3.29Å; D633-I637 WeakPolarHBondContact O-CG1 3.47Å; D633-I637 PolarHBondContact O-N 2.57Å; D633-T654 HydrophobicContact CB-CG2 3.99Å
634E98.2Very high98Very high170 Ų17045.4 Ų45.479%0.79425%0.245SC*.Hα-helixtrans-61.3-45.3179.1-68-173.1166.200111.9C632 I637 D638C632-E634 PolarHBondContact O-N 2.6Å; E634-I637 PolarHBondContact O-N 3.4Å; E634-D638 PolarHBondContact O-N 2.9Å
635Y98.5Very high98Very high30 Ų3051.2 Ų51.212%0.11828%0.276CS..Hα-helixtrans-68-37.3176.1-178.3-110000112.1C632 D633 I637 D638 V639 V678 I683 G686 T687 V703C632-Y635 PolarHBondContact O-N 2.79Å; D633-Y635 PolarHBondContact O-N 2.91Å; Y635-I637 VanDerWaalsContact C-N 3.27Å; Y635-I637 PolarHBondContact O-N 2.82Å; Y635-D638 WeakPolarHBondContact O-CB 3.35Å; Y635-D638 PolarHBondContact O-N 2.85Å; Y635-V639 HydrophobicContact CD1-CG2 4.13Å; Y635-V639 HydrophobicContact CD2-CG2 4.42Å; Y635-V639 HydrophobicContact CE1-CG2 3.73Å; Y635-V639 HydrophobicContact CE2-CG2 4.03Å; Y635-V639 HydrophobicContact CG-CG2 4.46Å; Y635-V639 VanDerWaalsContact O-CG2 3.32Å; Y635-V639 WeakPolarHBondContact O-CG2 3.31Å; Y635-V639 PolarHBondContact O-N 2.88Å; Y635-V678 HydrophobicContact CD1-CB 3.91Å; Y635-V678 HydrophobicContact CD1-CG1 4.02Å; Y635-V678 HydrophobicContact CD1-CG2 4.25Å; Y635-V678 HydrophobicContact CE1-CB 4.1Å; Y635-V678 HydrophobicContact CE1-CG1 3.81Å; Y635-I683 HydrophobicContact CD1-CB 4.37Å; Y635-I683 HydrophobicContact CD1-CD1 4.49Å; Y635-I683 HydrophobicContact CD1-CG1 3.44Å; Y635-I683 VanDerWaalsContact CD1-CG1 3.44Å; Y635-I683 HydrophobicContact CD2-CG1 4.42Å; Y635-I683 HydrophobicContact CE1-CG1 4.15Å; Y635-I683 HydrophobicContact CG-CB 4.43Å; Y635-I683 HydrophobicContact CG-CG1 3.6Å; Y635-G686 VanDerWaalsContact OH-CA 3.32Å; Y635-G686 WeakPolarHBondContact OH-CA 3.39Å; Y635-T687 WeakPolarHBondContact CE1-O 3.5Å; Y635-T687 PolarHBondContact OH-N 3.26Å; Y635-T687 PolarHBondContact OH-O 3.32Å; Y635-V703 WeakPolarHBondContact OH-CG2 3.47Å
636A98.6Very high97.9Very high0 Ų052.4 Ų52.40%029%0.286CS..Hα-helixtrans-60.3-38.9173.600000112.1V625 P627 C632 D633 K640 V652 V678V625-A636 HydrophobicContact CG1-CB 3.84Å; P627-A636 HydrophobicContact CB-CB 3.96Å; P627-A636 HydrophobicContact CG-CB 3.92Å; C632-A636 PolarHBondContact O-N 2.9Å; D633-A636 WeakPolarHBondContact O-CB 3.29Å; D633-A636 PolarHBondContact O-N 3.01Å; A636-K640 WeakPolarHBondContact O-CB 3.16Å; A636-K640 PolarHBondContact O-N 2.97Å; A636-V652 HydrophobicContact CB-CG2 3.83Å; A636-V678 HydrophobicContact CB-CG2 3.68Å
637I98.7Very high97.9Very high74 Ų7455.5 Ų55.538%0.37932%0.318SS..Hα-helixtrans-68.9-41.8175.2-68.2163.8000110.9D633 E634 Y635 K640 N641 V652D633-I637 VanDerWaalsContact O-CG1 3.29Å; D633-I637 WeakPolarHBondContact O-CG1 3.47Å; D633-I637 PolarHBondContact O-N 2.57Å; E634-I637 PolarHBondContact O-N 3.4Å; Y635-I637 VanDerWaalsContact C-N 3.27Å; Y635-I637 PolarHBondContact O-N 2.82Å; I637-K640 PolarHBondContact O-N 2.94Å; I637-N641 VanDerWaalsContact O-CG 3.26Å; I637-N641 PolarHBondContact O-N 3.41Å; I637-N641 PolarHBondContact O-ND2 2.93Å; I637-V652 HydrophobicContact CG1-CG1 4.42Å
638D98.5Very high97.9Very high70 Ų7056 Ų5637%0.37432%0.32SS..Hα-helixtrans-57.3-52.2173.6177.568.7000111.6E634 Y635 K640 N641 R642E634-D638 PolarHBondContact O-N 2.9Å; Y635-D638 WeakPolarHBondContact O-CB 3.35Å; Y635-D638 PolarHBondContact O-N 2.85Å; D638-K640 VanDerWaalsContact C-N 3.3Å; D638-K640 PolarHBondContact O-N 2.79Å; D638-N641 PolarHBondContact O-N 3.14Å; D638-R642 WeakPolarHBondContact O-CG 3.27Å; D638-R642 PolarHBondContact O-N 3.12Å; D638-R642 WeakPolarHBondContact OD2-CD 3.43Å; D638-R642 IonicContact OD2-NH1 3.18Å
639V98.7Very high98Very high0 Ų056.5 Ų56.50%032%0.319CS..Hα-helixtrans-56.9-45176.7171.10000110.8V625 Y635 N641 R642 L643 L676 V688 V703V625-V639 HydrophobicContact CG1-CB 4.4Å; V625-V639 HydrophobicContact CG1-CG1 4.25Å; V625-V639 HydrophobicContact CG2-CG1 4.03Å; Y635-V639 HydrophobicContact CD1-CG2 4.13Å; Y635-V639 HydrophobicContact CD2-CG2 4.42Å; Y635-V639 HydrophobicContact CE1-CG2 3.73Å; Y635-V639 HydrophobicContact CE2-CG2 4.03Å; Y635-V639 HydrophobicContact CG-CG2 4.46Å; Y635-V639 VanDerWaalsContact O-CG2 3.32Å; Y635-V639 WeakPolarHBondContact O-CG2 3.31Å; Y635-V639 PolarHBondContact O-N 2.88Å; V639-N641 VanDerWaalsContact C-N 3.32Å; V639-N641 PolarHBondContact O-N 3.36Å; V639-R642 PolarHBondContact O-N 3.18Å; V639-L643 HydrophobicContact CG1-CD1 3.86Å; V639-L643 WeakPolarHBondContact O-CB 3.37Å; V639-L643 WeakPolarHBondContact O-CD1 3.15Å; V639-L643 WeakPolarHBondContact O-CG 3.21Å; V639-L643 PolarHBondContact O-N 3.11Å; V639-L676 HydrophobicContact CG1-CD1 4.46Å; V639-V688 HydrophobicContact CG1-CG1 3.83Å; V639-V688 HydrophobicContact CG2-CG1 4.13Å; V639-V703 HydrophobicContact CG2-CG2 3.88Å
640K98.7Very high98.1Very high46 Ų4654 Ų5420%0.230%0.304CS..Hα-helixtrans-60.1-40.5175.4174.2-90.9146.8-169.40111.6V625 A636 I637 D638 H644 V650 V652V625-K640 HydrophobicContact CG2-CB 4.16Å; A636-K640 WeakPolarHBondContact O-CB 3.16Å; A636-K640 PolarHBondContact O-N 2.97Å; I637-K640 PolarHBondContact O-N 2.94Å; D638-K640 VanDerWaalsContact C-N 3.3Å; D638-K640 PolarHBondContact O-N 2.79Å; K640-H644 VanDerWaalsContact O-CB 3.26Å; K640-H644 WeakPolarHBondContact O-CB 3.49Å; K640-H644 PolarHBondContact O-N 3.1Å; K640-V650 HydrophobicContact CB-CG2 4.14Å; K640-V650 HydrophobicContact CG-CB 4.47Å; K640-V650 HydrophobicContact CG-CG1 4Å; K640-V650 HydrophobicContact CG-CG2 3.85Å; K640-V650 WeakPolarHBondContact O-CG1 3.42Å; K640-V652 HydrophobicContact CB-CB 4.29Å; K640-V652 HydrophobicContact CG-CB 4.33Å; K640-V652 HydrophobicContact CG-CG1 4.44Å
641N98.7Very high98.2Very high64 Ų6453.4 Ų53.434%0.34230%0.3SS..Hα-helixtrans-70.3-43.5179.9-70.7-23.6000111.5I637 D638 V639 L643 H644 D645I637-N641 VanDerWaalsContact O-CG 3.26Å; I637-N641 PolarHBondContact O-N 3.41Å; I637-N641 PolarHBondContact O-ND2 2.93Å; D638-N641 PolarHBondContact O-N 3.14Å; V639-N641 VanDerWaalsContact C-N 3.32Å; V639-N641 PolarHBondContact O-N 3.36Å; N641-L643 VanDerWaalsContact C-N 3.34Å; N641-L643 PolarHBondContact O-N 2.91Å; N641-H644 WeakPolarHBondContact O-CB 3.47Å; N641-H644 PolarHBondContact O-N 2.93Å; N641-H644 VanDerWaalsContact O-N 3.13Å; N641-D645 WeakPolarHBondContact O-CB 3.34Å; N641-D645 PolarHBondContact O-N 3.25Å
642R98.7Very high98.3Very high74 Ų7451.5 Ų51.528%0.27928%0.279SS..Hα-helixtrans-59.6-42.4176.2-69.1167.764.6-178.93.9112.7D638 V639 A646 E704 I707D638-R642 WeakPolarHBondContact O-CG 3.27Å; D638-R642 PolarHBondContact O-N 3.12Å; D638-R642 WeakPolarHBondContact OD2-CD 3.43Å; D638-R642 IonicContact OD2-NH1 3.18Å; V639-R642 PolarHBondContact O-N 3.18Å; R642-A646 WeakPolarHBondContact O-CB 3.47Å; R642-A646 PolarHBondContact O-N 3.03Å; R642-E704 IonicContact CZ-OE1 3.07Å; R642-E704 IonicContact NE-OE1 2.98Å; R642-E704 PolarHBondContact NE-OE1 3.31Å; R642-E704 IonicContact NH2-OE1 3.85Å; R642-E704 PolarHBondContact NH2-OE1 2.88Å; R642-I707 HydrophobicContact CB-CD1 4.24Å
643L98.7Very high98.4Very high1 Ų152.2 Ų52.21%0.00528%0.283CS..Hα-helixtrans-66.5-40174.7-75.5163000112.3V623 V625 V639 N641 A646 G647 F648 V650 L676 I707 F710V623-L643 HydrophobicContact CG1-CD1 4.06Å; V625-L643 HydrophobicContact CG2-CD1 4.31Å; V639-L643 HydrophobicContact CG1-CD1 3.86Å; V639-L643 WeakPolarHBondContact O-CB 3.37Å; V639-L643 WeakPolarHBondContact O-CD1 3.15Å; V639-L643 WeakPolarHBondContact O-CG 3.21Å; V639-L643 PolarHBondContact O-N 3.11Å; N641-L643 VanDerWaalsContact C-N 3.34Å; N641-L643 PolarHBondContact O-N 2.91Å; L643-A646 PolarHBondContact O-N 3.31Å; L643-G647 PolarHBondContact O-N 2.81Å; L643-F648 HydrophobicContact CD2-CD2 4.24Å; L643-F648 WeakPolarHBondContact O-CB 3.26Å; L643-F648 WeakPolarHBondContact O-CD2 3.42Å; L643-F648 PolarHBondContact O-N 3.39Å; L643-F648 VanDerWaalsContact O-N 3.1Å; L643-V650 HydrophobicContact CB-CB 4.2Å; L643-V650 HydrophobicContact CB-CG1 3.88Å; L643-V650 HydrophobicContact CB-CG2 4.27Å; L643-V650 HydrophobicContact CD1-CG2 4.07Å; L643-L676 HydrophobicContact CD1-CD1 3.59Å; L643-I707 HydrophobicContact CD2-CG1 3.73Å; L643-I707 HydrophobicContact CG-CG1 4.4Å; L643-F710 HydrophobicContact CD2-CD2 3.78Å; L643-F710 HydrophobicContact CD2-CE2 3.88Å
644H98.5Very high98.3Very high101 Ų10153.1 Ų53.147%0.46829%0.29SS..Hα-helixtrans-64.3-45.4176.9176.3-86.8000111.5K640 N641 A646 G647 V650K640-H644 VanDerWaalsContact O-CB 3.26Å; K640-H644 WeakPolarHBondContact O-CB 3.49Å; K640-H644 PolarHBondContact O-N 3.1Å; N641-H644 WeakPolarHBondContact O-CB 3.47Å; N641-H644 PolarHBondContact O-N 2.93Å; N641-H644 VanDerWaalsContact O-N 3.13Å; H644-A646 PolarHBondContact O-N 3.34Å; H644-G647 WeakPolarHBondContact O-CA 3.44Å; H644-G647 PolarHBondContact O-N 3.16Å; H644-V650 HydrophobicContact CB-CG1 3.73Å
645D98.4Very high98.2Very high131 Ų13147.8 Ų47.870%0.70127%0.267SS*.Hα-helixtrans-67.9-24.5178.8-64.5-13000111.8N641 G647N641-D645 WeakPolarHBondContact O-CB 3.34Å; N641-D645 PolarHBondContact O-N 3.25Å; D645-G647 PolarHBondContact O-N 3.43Å
646A98.2Very high97.9Very high26 Ų2651.4 Ų51.422%0.21529%0.294CS..THydrogen-bonded Turntrans-75.9-2.2168.500000114.2R642 L643 H644 F648 I707R642-A646 WeakPolarHBondContact O-CB 3.47Å; R642-A646 PolarHBondContact O-N 3.03Å; L643-A646 PolarHBondContact O-N 3.31Å; H644-A646 PolarHBondContact O-N 3.34Å; A646-F648 HydrophobicContact CB-CD2 3.9Å; A646-F648 HydrophobicContact CB-CE2 3.85Å; A646-I707 HydrophobicContact CB-CG1 4.5Å; A646-I707 HydrophobicContact CB-CG2 3.73Å
647G97.5Very high97.7Very high65 Ų6554.8 Ų54.867%0.6733%0.329SS*.THydrogen-bonded Turntrans95.513.9174.800000115.5L643 H644 D645L643-G647 PolarHBondContact O-N 2.81Å; H644-G647 WeakPolarHBondContact O-CA 3.44Å; H644-G647 PolarHBondContact O-N 3.16Å; D645-G647 PolarHBondContact O-N 3.43Å
648F98.4Very high97.5Very high11 Ų1156 Ų565%0.04833%0.328CS..  trans-98.1150-177.5-58.9-67.3000114F616 L643 A646 V650 I707 F710 R711 A714F616-F648 HydrophobicContact CE1-CD1 4.17Å; F616-F648 AromaticContact CE1-CE1 3.95Å; F616-F648 HydrophobicContact CE1-CE1 3.95Å; F616-F648 AromaticContact CZ-CD1 3.9Å; F616-F648 HydrophobicContact CZ-CD1 3.9Å; F616-F648 HydrophobicContact CZ-CE1 4.05Å; L643-F648 HydrophobicContact CD2-CD2 4.24Å; L643-F648 WeakPolarHBondContact O-CB 3.26Å; L643-F648 WeakPolarHBondContact O-CD2 3.42Å; L643-F648 PolarHBondContact O-N 3.39Å; L643-F648 VanDerWaalsContact O-N 3.1Å; A646-F648 HydrophobicContact CB-CD2 3.9Å; A646-F648 HydrophobicContact CB-CE2 3.85Å; F648-V650 PolarHBondContact O-N 3.47Å; F648-I707 HydrophobicContact CE2-CG2 4.39Å; F648-F710 HydrophobicContact CD1-CB 4.29Å; F648-F710 HydrophobicContact CD2-CB 4.36Å; F648-F710 HydrophobicContact CD2-CD2 4.41Å; F648-F710 HydrophobicContact CE1-CB 3.66Å; F648-F710 HydrophobicContact CE2-CB 3.73Å; F648-F710 HydrophobicContact CE2-CD2 4.49Å; F648-F710 VanDerWaalsContact CZ-C 3.5Å; F648-F710 HydrophobicContact CZ-CB 3.35Å; F648-R711 HydrophobicContact CE2-CG 4.38Å; F648-R711 HydrophobicContact CZ-CG 3.87Å; F648-A714 HydrophobicContact CE1-CB 4.33Å
649M98.3Very high97.4Very high70 Ų7057.2 Ų57.235%0.34534%0.339SS..  trans-77.995.8173-63.6-57.3-65.900110.5H322 Q622 V623H322-M649 HydrophobicContact CB-CE 4.44Å; H322-M649 WeakPolarHBondContact CE1-CG 3.45Å; H322-M649 PolarHBondContact ND1-SD 3.09Å; H322-M649 VanDerWaalsContact ND1-SD 3.44Å; Q622-M649 HydrophobicContact CB-CB 4.23Å; Q622-M649 WeakPolarHBondContact CB-O 3.01Å; Q622-M649 HydrophobicContact CG-CB 4.28Å; Q622-M649 PolarHBondContact N-O 2.95Å; V623-M649 PolarHBondContact N-O 3.26Å
650V98.4Very high97.2Very high20 Ų2059.5 Ų59.512%0.12135%0.351CS..EExtended strand (participates in β ladder)trans-126.4135.6-174.357.50000112.6V623 V625 K640 L643 H644 F648V623-V650 HydrophobicContact CB-CB 4.07Å; V623-V650 HydrophobicContact CB-CG2 3.91Å; V623-V650 HydrophobicContact CG1-CG2 4.09Å; V623-V650 WeakPolarHBondContact O-CA 3.35Å; V625-V650 HydrophobicContact CG2-CG2 3.81Å; K640-V650 HydrophobicContact CB-CG2 4.14Å; K640-V650 HydrophobicContact CG-CB 4.47Å; K640-V650 HydrophobicContact CG-CG1 4Å; K640-V650 HydrophobicContact CG-CG2 3.85Å; K640-V650 WeakPolarHBondContact O-CG1 3.42Å; L643-V650 HydrophobicContact CB-CB 4.2Å; L643-V650 HydrophobicContact CB-CG1 3.88Å; L643-V650 HydrophobicContact CB-CG2 4.27Å; L643-V650 HydrophobicContact CD1-CG2 4.07Å; H644-V650 HydrophobicContact CB-CG1 3.73Å; F648-V650 PolarHBondContact O-N 3.47Å
651S98Very high97Very high51 Ų5163.3 Ų63.336%0.35737%0.373SS..EExtended strand (participates in β ladder)trans-120.9163.117256.70000110.9V623 L624 V625V623-S651 PolarHBondContact O-N 2.65Å; L624-S651 CarbonylContact C-O 3.57Å; L624-S651 WeakPolarHBondContact CA-O 3.33Å; L624-S651 WeakPolarHBondContact CD1-OG 3.43Å; V625-S651 PolarHBondContact N-O 3.43Å
652V98.4Very high96.9Very high45 Ų4565.1 Ų65.127%0.27338%0.378SS..EExtended strand (participates in β ladder)trans-129.2140.5174.563.60000109.9V625 A636 I637 K640 T654V625-V652 HydrophobicContact CB-CB 4.35Å; V625-V652 HydrophobicContact CB-CG2 4.14Å; V625-V652 WeakPolarHBondContact O-CA 3.39Å; V625-V652 WeakPolarHBondContact O-CG2 3.47Å; A636-V652 HydrophobicContact CB-CG2 3.83Å; I637-V652 HydrophobicContact CG1-CG1 4.42Å; K640-V652 HydrophobicContact CB-CB 4.29Å; K640-V652 HydrophobicContact CG-CB 4.33Å; K640-V652 HydrophobicContact CG-CG1 4.44Å; V652-T654 HydrophobicContact CG2-CG2 3.86Å
653D98.1Very high96.8Very high16 Ų1662 Ų629%0.08637%0.366CS..  trans-111.391.5174-169.1-16.6000111L624 V625 P627 D655 R658 K663L624-D653 HydrophobicContact CD1-CB 4.21Å; V625-D653 PolarHBondContact O-N 3.39Å; P627-D653 WeakPolarHBondContact CD-O 3.45Å; D653-D655 VanDerWaalsContact OD1-CB 3.28Å; D653-D655 WeakPolarHBondContact OD1-CB 3.38Å; D653-D655 PolarHBondContact OD1-N 3.42Å; D653-D655 VanDerWaalsContact OD1-N 3.12Å; D653-R658 IonicContact OD1-NH1 2.66Å; D653-R658 PolarHBondContact OD1-NH1 3.23Å; D653-R658 IonicContact OD2-CZ 3.81Å; D653-R658 IonicContact OD2-NH1 3.71Å; D653-R658 PolarHBondContact OD2-NH1 2.91Å; D653-K663 HydrophobicContact CB-CB 4.5Å; D653-K663 HydrophobicContact CB-CD 4.32Å; D653-K663 HydrophobicContact CB-CG 4.34Å; D653-K663 WeakPolarHBondContact O-CD 3.35Å; D653-K663 VanDerWaalsContact O-CE 3.31Å; D653-K663 WeakPolarHBondContact O-CE 3.25Å; D653-K663 PolarHBondContact O-NZ 3.29Å
654T97.3Very high96.8Very high51 Ų5162.3 Ų62.331%0.31337%0.368SS..  trans-92.89.9176.855.80000113.3P627 D633 V652 P656P627-T654 HydrophobicContact CG-CG2 4.23Å; D633-T654 HydrophobicContact CB-CG2 3.99Å; V652-T654 HydrophobicContact CG2-CG2 3.86Å; T654-P656 VanDerWaalsContact O-CD 3.24Å; T654-P656 WeakPolarHBondContact O-CD 3.11Å; T654-P656 VanDerWaalsContact O-N 3.1Å
655D96.2Very high96.7Very high57 Ų5763.8 Ų63.831%0.30537%0.37SS..  trans-62.7114.1-176.6-174.3-20.5000110.7D653 G657 R658 K663D653-D655 VanDerWaalsContact OD1-CB 3.28Å; D653-D655 WeakPolarHBondContact OD1-CB 3.38Å; D653-D655 PolarHBondContact OD1-N 3.42Å; D653-D655 VanDerWaalsContact OD1-N 3.12Å; D655-G657 PolarHBondContact O-N 3.33Å; D655-G657 WeakPolarHBondContact OD1-CA 3.29Å; D655-G657 PolarHBondContact OD1-N 3.19Å; D655-R658 HydrophobicContact CB-CG 4.18Å; D655-R658 PolarHBondContact O-N 3.39Å; D655-R658 IonicContact OD2-CZ 2.59Å; D655-R658 IonicContact OD2-NE 3.72Å; D655-R658 PolarHBondContact OD2-NE 3.46Å; D655-R658 IonicContact OD2-NH1 3.84Å; D655-R658 IonicContact OD2-NH2 3.96Å; D655-R658 PolarHBondContact OD2-NH2 3.04Å; D655-K663 WeakPolarHBondContact O-CE 3.1Å; D655-K663 PolarHBondContact O-NZ 3.4Å
656P92.1Very high96.5Very high107 Ų10759 Ų5970%0.69534%0.344SS*.THydrogen-bonded Turntrans-71.5-17.7-177.630.3-35.4000112.5T654 R658T654-P656 VanDerWaalsContact O-CD 3.24Å; T654-P656 WeakPolarHBondContact O-CD 3.11Å; T654-P656 VanDerWaalsContact O-N 3.1Å; P656-R658 PolarHBondContact O-N 2.96Å
657G93.4Very high96.4Very high71 Ų7157.7 Ų57.773%0.73233%0.334SS*.THydrogen-bonded Turntrans-75.6-6.6175.900000113.8D655D655-G657 PolarHBondContact O-N 3.33Å; D655-G657 WeakPolarHBondContact OD1-CA 3.29Å; D655-G657 PolarHBondContact OD1-N 3.19Å
658R94.8Very high96.4Very high98 Ų9856.3 Ų56.337%0.3731%0.31SS..SBendtrans-110.7129-178.9-62.9179.9-163.9147.116111.2D653 D655 P656 K662 K663D653-R658 IonicContact OD1-NH1 2.66Å; D653-R658 PolarHBondContact OD1-NH1 3.23Å; D653-R658 IonicContact OD2-CZ 3.81Å; D653-R658 IonicContact OD2-NH1 3.71Å; D653-R658 PolarHBondContact OD2-NH1 2.91Å; D655-R658 HydrophobicContact CB-CG 4.18Å; D655-R658 PolarHBondContact O-N 3.39Å; D655-R658 IonicContact OD2-CZ 2.59Å; D655-R658 IonicContact OD2-NE 3.72Å; D655-R658 PolarHBondContact OD2-NE 3.46Å; D655-R658 IonicContact OD2-NH1 3.84Å; D655-R658 IonicContact OD2-NH2 3.96Å; D655-R658 PolarHBondContact OD2-NH2 3.04Å; P656-R658 PolarHBondContact O-N 2.96Å; R658-K662 HydrophobicContact CB-CB 4.33Å; R658-K662 HydrophobicContact CB-CG 4.25Å; R658-K662 HydrophobicContact CG-CG 4.26Å; R658-K663 HydrophobicContact CB-CG 3.77Å; R658-K663 WeakPolarHBondContact O-CE 3.3Å
659T95.1Very high96.2Very high96 Ų9660.6 Ų60.659%0.58933%0.332SS*.  trans-64155.3169.866.20000111N661 K662 K663T659-N661 PolarHBondContact O-N 3.44Å; T659-K662 WeakPolarHBondContact O-CA 3.45Å; T659-K662 WeakPolarHBondContact O-CB 3.28Å; T659-K662 PolarHBondContact O-N 3.46Å; T659-K662 WeakPolarHBondContact OG1-CB 3.36Å; T659-K662 PolarHBondContact OG1-N 3.49Å; T659-K663 PolarHBondContact O-N 2.92Å
660L94.8Very high96Very high49 Ų4961.3 Ų61.326%0.25734%0.337SS..Hα-helixtrans-48.4-47.8173.7174.561.6000112.1V626 V628 K662 K663 I664 V677V626-L660 HydrophobicContact CG1-CD1 3.56Å; V628-L660 HydrophobicContact CG1-CD2 4.32Å; V628-L660 HydrophobicContact CG2-CD1 4.47Å; V628-L660 HydrophobicContact CG2-CD2 4.21Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.47Å; L660-K663 PolarHBondContact O-N 3.3Å; L660-I664 HydrophobicContact CD1-CD1 3.94Å; L660-I664 HydrophobicContact CD1-CG1 4.21Å; L660-I664 HydrophobicContact CG-CD1 3.94Å; L660-I664 WeakPolarHBondContact O-CG1 3.26Å; L660-I664 PolarHBondContact O-N 3.46Å; L660-V677 HydrophobicContact CD1-CG1 3.92Å; L660-V677 HydrophobicContact CD1-CG2 4.34Å
661N95.5Very high95.8Very high126 Ų12662.4 Ų62.467%0.67434%0.341SS*.Hα-helixtrans-60.7-37.3178.1-70.9-20.5000112.4T659 R665T659-N661 PolarHBondContact O-N 3.44Å; N661-R665 VanDerWaalsContact O-CB 3.23Å; N661-R665 WeakPolarHBondContact O-CB 3.33Å; N661-R665 PolarHBondContact O-N 3.07Å
662K96.5Very high95.9Very high102 Ų10260 Ų6044%0.44332%0.324SS..Hα-helixtrans-68.9-40.4176.3-176.761.8178.3-179.80111.6R658 T659 L660 R665 N666R658-K662 HydrophobicContact CB-CB 4.33Å; R658-K662 HydrophobicContact CB-CG 4.25Å; R658-K662 HydrophobicContact CG-CG 4.26Å; T659-K662 WeakPolarHBondContact O-CA 3.45Å; T659-K662 WeakPolarHBondContact O-CB 3.28Å; T659-K662 PolarHBondContact O-N 3.46Å; T659-K662 WeakPolarHBondContact OG1-CB 3.36Å; T659-K662 PolarHBondContact OG1-N 3.49Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.47Å; K662-R665 PolarHBondContact O-N 3.37Å; K662-N666 WeakPolarHBondContact CE-OD1 3.46Å; K662-N666 WeakPolarHBondContact O-CB 3.42Å; K662-N666 PolarHBondContact O-N 3.3Å; K662-N666 PolarHBondContact O-OD1 3.14Å
663K97.2Very high95.9Very high7 Ų757.9 Ų57.93%0.0331%0.311CS..Hα-helixtrans-63.7-46.7175.9-63.4-178.5178-1710111.6V626 D653 D655 R658 T659 L660 R665 N666 G667V626-K663 HydrophobicContact CG1-CB 3.52Å; V626-K663 HydrophobicContact CG1-CD 3.72Å; V626-K663 HydrophobicContact CG1-CG 4.27Å; V626-K663 HydrophobicContact CG2-CB 4.25Å; D653-K663 HydrophobicContact CB-CB 4.5Å; D653-K663 HydrophobicContact CB-CD 4.32Å; D653-K663 HydrophobicContact CB-CG 4.34Å; D653-K663 WeakPolarHBondContact O-CD 3.35Å; D653-K663 VanDerWaalsContact O-CE 3.31Å; D653-K663 WeakPolarHBondContact O-CE 3.25Å; D653-K663 PolarHBondContact O-NZ 3.29Å; D655-K663 WeakPolarHBondContact O-CE 3.1Å; D655-K663 PolarHBondContact O-NZ 3.4Å; R658-K663 HydrophobicContact CB-CG 3.77Å; R658-K663 WeakPolarHBondContact O-CE 3.3Å; T659-K663 PolarHBondContact O-N 2.92Å; L660-K663 PolarHBondContact O-N 3.3Å; K663-R665 PolarHBondContact O-N 3.44Å; K663-N666 WeakPolarHBondContact O-CB 3.42Å; K663-N666 PolarHBondContact O-N 3.31Å; K663-G667 PolarHBondContact O-N 3.41Å
664I96.8Very high95.9Very high8 Ų857.1 Ų57.14%0.04131%0.307CS..Hα-helixtrans-57.5-50.2173.2-66.7169.4000109.8L660 N666 G667 Q668 I675 V677L660-I664 HydrophobicContact CD1-CD1 3.94Å; L660-I664 HydrophobicContact CD1-CG1 4.21Å; L660-I664 HydrophobicContact CG-CD1 3.94Å; L660-I664 WeakPolarHBondContact O-CG1 3.26Å; L660-I664 PolarHBondContact O-N 3.46Å; I664-N666 VanDerWaalsContact C-N 3.28Å; I664-N666 PolarHBondContact O-N 3.14Å; I664-G667 WeakPolarHBondContact O-CA 3.36Å; I664-G667 PolarHBondContact O-N 3.49Å; I664-Q668 WeakPolarHBondContact O-CG 3.15Å; I664-Q668 PolarHBondContact O-N 2.9Å; I664-I675 HydrophobicContact CG1-CG2 4.39Å; I664-I675 HydrophobicContact CG2-CD1 4.21Å; I664-I675 WeakPolarHBondContact O-CD1 3.38Å; I664-V677 HydrophobicContact CD1-CG2 4.1Å; I664-V677 HydrophobicContact CG1-CG2 4.24Å
665R96.7Very high96Very high133 Ų13354.7 Ų54.750%0.50229%0.292SS..Hα-helixtrans-58.2-39.1178.6-177.260.5174.6-175.30.7112.5N661 K662 K663 Q668 L669N661-R665 VanDerWaalsContact O-CB 3.23Å; N661-R665 WeakPolarHBondContact O-CB 3.33Å; N661-R665 PolarHBondContact O-N 3.07Å; K662-R665 PolarHBondContact O-N 3.37Å; K663-R665 PolarHBondContact O-N 3.44Å; R665-Q668 PolarHBondContact O-N 3.4Å; R665-L669 HydrophobicContact CG-CD1 4.24Å; R665-L669 HydrophobicContact CG-CG 4.5Å; R665-L669 WeakPolarHBondContact O-CG 3.49Å; R665-L669 PolarHBondContact O-N 3.14Å
666N95.6Very high96.1Very high29 Ų2952 Ų5216%0.15528%0.278CS..Hα-helixtrans-62.8-43.2175.6-72.2-9.5000111.3K662 K663 I664 Q668 L669 L670K662-N666 WeakPolarHBondContact CE-OD1 3.46Å; K662-N666 WeakPolarHBondContact O-CB 3.42Å; K662-N666 PolarHBondContact O-N 3.3Å; K662-N666 PolarHBondContact O-OD1 3.14Å; K663-N666 WeakPolarHBondContact O-CB 3.42Å; K663-N666 PolarHBondContact O-N 3.31Å; I664-N666 VanDerWaalsContact C-N 3.28Å; I664-N666 PolarHBondContact O-N 3.14Å; N666-Q668 VanDerWaalsContact C-N 3.32Å; N666-Q668 PolarHBondContact O-N 2.87Å; N666-L669 PolarHBondContact O-N 3.14Å; N666-L670 WeakPolarHBondContact O-CB 3.34Å; N666-L670 WeakPolarHBondContact O-CG 3.5Å; N666-L670 PolarHBondContact O-N 3.18Å
667G96.4Very high96.4Very high0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-58.5-42.2173.200000112.9L624 K663 I664 L670 Q671 N672L624-G667 VanDerWaalsContact CD2-CA 3.43Å; K663-G667 PolarHBondContact O-N 3.41Å; I664-G667 WeakPolarHBondContact O-CA 3.36Å; I664-G667 PolarHBondContact O-N 3.49Å; G667-L670 PolarHBondContact O-N 3.06Å; G667-Q671 PolarHBondContact O-N 3.13Å; G667-N672 PolarHBondContact O-N 2.97Å; G667-N672 PolarHBondContact O-OD1 3.5Å
668Q96.2Very high96.6Very high36 Ų3643.9 Ų43.917%0.16821%0.212CC..Hα-helixtrans-63.8-44.1175.2-56.6-168.7-79.400112.1I664 R665 N666 L670 Q671 I675 R693I664-Q668 WeakPolarHBondContact O-CG 3.15Å; I664-Q668 PolarHBondContact O-N 2.9Å; R665-Q668 PolarHBondContact O-N 3.4Å; N666-Q668 VanDerWaalsContact C-N 3.32Å; N666-Q668 PolarHBondContact O-N 2.87Å; Q668-L670 VanDerWaalsContact C-N 3.34Å; Q668-L670 PolarHBondContact O-N 3.42Å; Q668-Q671 PolarHBondContact O-N 3.32Å; Q668-Q671 PolarHBondContact O-NE2 2.8Å; Q668-I675 HydrophobicContact CG-CD1 4Å; Q668-R693 VanDerWaalsContact CG-O 3.27Å; Q668-R693 WeakPolarHBondContact CG-O 3.42Å; Q668-R693 PolarHBondContact NE2-O 2.9Å
669L93.8Very high96.7Very high100 Ų10039.5 Ų39.552%0.52420%0.198SC..Hα-helixtrans-64.6-39.6179.6-72.6172.7000111.8R665 N666 Q671R665-L669 HydrophobicContact CG-CD1 4.24Å; R665-L669 HydrophobicContact CG-CG 4.5Å; R665-L669 WeakPolarHBondContact O-CG 3.49Å; R665-L669 PolarHBondContact O-N 3.14Å; N666-L669 PolarHBondContact O-N 3.14Å; L669-Q671 PolarHBondContact O-N 2.99Å; L669-Q671 PolarHBondContact O-NE2 3.43Å
670L94Very high96.8Very high85 Ų8541.8 Ų41.845%0.44520%0.202SC..THydrogen-bonded Turntrans-73.9-1.2174.4-68.9175.7000113.3R621 N666 G667 Q668 N672R621-L670 WeakPolarHBondContact CD-O 3.43Å; N666-L670 WeakPolarHBondContact O-CB 3.34Å; N666-L670 WeakPolarHBondContact O-CG 3.5Å; N666-L670 PolarHBondContact O-N 3.18Å; G667-L670 PolarHBondContact O-N 3.06Å; Q668-L670 VanDerWaalsContact C-N 3.34Å; Q668-L670 PolarHBondContact O-N 3.42Å; L670-N672 VanDerWaalsContact C-N 3.3Å; L670-N672 PolarHBondContact O-N 3.38Å
671Q96Very high97Very high44 Ų4445.5 Ų45.521%0.20622%0.216CC..THydrogen-bonded Turntrans61.132.6-179.7-52.1-56.9-48.300114G667 Q668 L669 N673 R693G667-Q671 PolarHBondContact O-N 3.13Å; Q668-Q671 PolarHBondContact O-N 3.32Å; Q668-Q671 PolarHBondContact O-NE2 2.8Å; L669-Q671 PolarHBondContact O-N 2.99Å; L669-Q671 PolarHBondContact O-NE2 3.43Å; Q671-N673 PolarHBondContact O-N 3.32Å; Q671-R693 PolarHBondContact O-NE 3.38Å; Q671-R693 PolarHBondContact O-NH2 3.08Å
672N98.3Very high97.1Very high1 Ų140.5 Ų40.51%0.00519%0.188CC..  trans-57.5131.5171.9-74.385.4000110.4R621 V623 L624 G667 L670 I675 R693R621-N672 WeakPolarHBondContact O-CA 3.44Å; V623-N672 PolarHBondContact O-ND2 3Å; L624-N672 HydrophobicContact CB-CB 4.24Å; G667-N672 PolarHBondContact O-N 2.97Å; G667-N672 PolarHBondContact O-OD1 3.5Å; L670-N672 VanDerWaalsContact C-N 3.3Å; L670-N672 PolarHBondContact O-N 3.38Å; N672-I675 HydrophobicContact CB-CG1 4.43Å; N672-R693 WeakPolarHBondContact O-CA 3.31Å; N672-R693 VanDerWaalsContact O-CB 3.23Å; N672-R693 WeakPolarHBondContact O-CB 3.48Å
673N98.5Very high97.2Very high0 Ų038.7 Ų38.70%018%0.183CC..SBendtrans-63.9-46.9179.5-63.289.3000110.9W614 F616 S619 R621 Q622 Q671 T692 R693 E722W614-N673 PolarHBondContact O-ND2 3.12Å; F616-N673 HydrophobicContact CD2-CB 3.89Å; S619-N673 WeakPolarHBondContact CB-OD1 3.19Å; S619-N673 PolarHBondContact OG-OD1 3.37Å; R621-N673 PolarHBondContact O-N 2.96Å; R621-N673 VanDerWaalsContact O-N 3.17Å; R621-N673 PolarHBondContact O-OD1 3.26Å; Q622-N673 WeakPolarHBondContact O-CB 3.46Å; Q622-N673 PolarHBondContact O-N 3.1Å; Q671-N673 PolarHBondContact O-N 3.32Å; N673-T692 CarbonylContact O-C 3.45Å; N673-T692 WeakPolarHBondContact O-CA 3.17Å; N673-R693 PolarHBondContact ND2-NH2 3.14Å; N673-R693 PolarHBondContact O-N 3.44Å; N673-E722 HydrophobicContact CB-CG 4.49Å; N673-E722 PolarHBondContact ND2-OE1 2.89Å; N673-E722 WeakPolarHBondContact O-CG 3.46Å
674F98.7Very high97.2Very high0 Ų042.3 Ų42.30%021%0.214CC..EExtended strand (participates in β ladder)trans-124.7142.4177.5-61.6-80.6000112.2F616 Q622 V623 L624 V690 R691 T692 F710 L713 E722 F725F616-F674 AromaticContact CD2-CD2 3.78Å; F616-F674 HydrophobicContact CD2-CD2 3.78Å; F616-F674 AromaticContact CD2-CE2 3.62Å; F616-F674 HydrophobicContact CD2-CE2 3.62Å; F616-F674 AromaticContact CE2-CD2 3.7Å; F616-F674 HydrophobicContact CE2-CD2 3.7Å; F616-F674 AromaticContact CE2-CE2 3.83Å; F616-F674 HydrophobicContact CE2-CE2 3.83Å; F616-F674 HydrophobicContact CG-CE2 4.33Å; Q622-F674 PolarHBondContact O-N 3.43Å; V623-F674 CarbonylContact C-O 3.6Å; V623-F674 WeakPolarHBondContact CA-O 3.48Å; L624-F674 PolarHBondContact N-O 3.28Å; F674-V690 HydrophobicContact CD1-CG1 3.94Å; F674-R691 CarbonylContact C-O 3.53Å; F674-R691 VanDerWaalsContact CA-O 3.29Å; F674-R691 WeakPolarHBondContact CA-O 3.41Å; F674-T692 HydrophobicContact CE1-CG2 4.44Å; F674-F710 HydrophobicContact CB-CE1 4.42Å; F674-F710 HydrophobicContact CB-CZ 3.92Å; F674-F710 HydrophobicContact CD1-CE1 4.24Å; F674-F710 HydrophobicContact CD1-CZ 4.5Å; F674-F710 HydrophobicContact CD2-CD1 4.32Å; F674-F710 AromaticContact CD2-CE1 3.43Å; F674-F710 HydrophobicContact CD2-CE1 3.43Å; F674-F710 VanDerWaalsContact CD2-CE1 3.43Å; F674-F710 AromaticContact CD2-CZ 3.69Å; F674-F710 HydrophobicContact CD2-CZ 3.69Å; F674-F710 HydrophobicContact CE1-CE1 4.4Å; F674-F710 HydrophobicContact CE2-CD1 4.21Å; F674-F710 AromaticContact CE2-CE1 3.62Å; F674-F710 HydrophobicContact CE2-CE1 3.62Å; F674-F710 HydrophobicContact CE2-CZ 4.35Å; F674-F710 AromaticContact CG-CE1 3.77Å; F674-F710 HydrophobicContact CG-CE1 3.77Å; F674-F710 AromaticContact CG-CZ 3.78Å; F674-F710 HydrophobicContact CG-CZ 3.78Å; F674-F710 HydrophobicContact CZ-CE1 4.11Å; F674-L713 HydrophobicContact CE2-CD1 4.26Å; F674-L713 HydrophobicContact CZ-CD1 4.07Å; F674-E722 HydrophobicContact CZ-CG 4.38Å; F674-F725 HydrophobicContact CE1-CB 3.65Å; F674-F725 HydrophobicContact CE1-CD1 4.43Å; F674-F725 AromaticContact CE1-CD2 3.92Å; F674-F725 HydrophobicContact CE1-CD2 3.92Å; F674-F725 AromaticContact CE1-CG 3.73Å; F674-F725 HydrophobicContact CE1-CG 3.73Å; F674-F725 HydrophobicContact CZ-CB 3.72Å; F674-F725 AromaticContact CZ-CD2 3.98Å; F674-F725 HydrophobicContact CZ-CD2 3.98Å; F674-F725 HydrophobicContact CZ-CG 4.05Å
675I98.6Very high97.2Very high0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-120.5116.5173.4-55.7167.8000107.1L624 V626 I664 Q668 N672 R691L624-I675 CarbonylContact O-C 3.56Å; L624-I675 VanDerWaalsContact O-CA 3.3Å; L624-I675 WeakPolarHBondContact O-CA 3.31Å; V626-I675 HydrophobicContact CG2-CG2 3.75Å; I664-I675 HydrophobicContact CG1-CG2 4.39Å; I664-I675 HydrophobicContact CG2-CD1 4.21Å; I664-I675 WeakPolarHBondContact O-CD1 3.38Å; Q668-I675 HydrophobicContact CG-CD1 4Å; N672-I675 HydrophobicContact CB-CG1 4.43Å; I675-R691 HydrophobicContact CB-CB 4.31Å; I675-R691 PolarHBondContact N-O 3.5Å; I675-R691 WeakPolarHBondContact O-CB 3.33Å; I675-R691 PolarHBondContact O-N 3.31Å
676L98.6Very high97.2Very high1 Ų141.5 Ų41.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-102.3109-176.9-55.8-174.8000109.2V623 L624 V625 V626 V639 L643 V688 N689 V690 V706V623-L676 HydrophobicContact CG1-CD1 3.5Å; V623-L676 HydrophobicContact CG1-CG 3.62Å; L624-L676 PolarHBondContact O-N 3.47Å; V625-L676 CarbonylContact C-O 3.56Å; V625-L676 WeakPolarHBondContact CA-O 3.08Å; V625-L676 HydrophobicContact CG2-CB 4.47Å; V626-L676 PolarHBondContact N-O 3.49Å; V639-L676 HydrophobicContact CG1-CD1 4.46Å; L643-L676 HydrophobicContact CD1-CD1 3.59Å; L676-V688 HydrophobicContact CB-CB 4.19Å; L676-V688 HydrophobicContact CB-CG1 4.41Å; L676-V688 HydrophobicContact CB-CG2 4.48Å; L676-V688 HydrophobicContact CD1-CG2 4.25Å; L676-V688 HydrophobicContact CD2-CG2 4.07Å; L676-V688 HydrophobicContact CG-CG2 4.5Å; L676-N689 WeakPolarHBondContact CA-O 3.43Å; L676-V690 HydrophobicContact CD2-CB 4.17Å; L676-V690 HydrophobicContact CD2-CG1 4.02Å; L676-V690 HydrophobicContact CD2-CG2 3.84Å; L676-V706 HydrophobicContact CD1-CG1 4.38Å
677V98.3Very high97.3Very high6 Ų640.6 Ų40.64%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-91.3134.1179178.60000109.6V626 V628 L660 I664 N689V626-V677 HydrophobicContact CB-CG2 4.39Å; V626-V677 VanDerWaalsContact O-CA 3.31Å; V626-V677 WeakPolarHBondContact O-CA 3.46Å; V628-V677 HydrophobicContact CG2-CG1 3.52Å; L660-V677 HydrophobicContact CD1-CG1 3.92Å; L660-V677 HydrophobicContact CD1-CG2 4.34Å; I664-V677 HydrophobicContact CD1-CG2 4.1Å; I664-V677 HydrophobicContact CG1-CG2 4.24Å; V677-N689 HydrophobicContact CB-CB 4.24Å; V677-N689 PolarHBondContact N-O 3.23Å; V677-N689 WeakPolarHBondContact O-CB 3.31Å; V677-N689 PolarHBondContact O-N 2.96Å
678V98.4Very high97.4Very high0 Ų040.6 Ų40.60%022%0.223CC..EExtended strand (participates in β ladder)trans-127.1120.8178.8-62.30000111.6V625 V626 P627 V628 Y635 A636 E682 V688V625-V678 HydrophobicContact CG1-CG1 4.43Å; V625-V678 HydrophobicContact CG1-CG2 4.35Å; V626-V678 PolarHBondContact O-N 3.5Å; P627-V678 WeakPolarHBondContact CA-O 3.4Å; P627-V678 HydrophobicContact CB-CG2 4.16Å; V628-V678 WeakPolarHBondContact CG2-O 3.26Å; V628-V678 PolarHBondContact N-O 2.78Å; Y635-V678 HydrophobicContact CD1-CB 3.91Å; Y635-V678 HydrophobicContact CD1-CG1 4.02Å; Y635-V678 HydrophobicContact CD1-CG2 4.25Å; Y635-V678 HydrophobicContact CE1-CB 4.1Å; Y635-V678 HydrophobicContact CE1-CG1 3.81Å; A636-V678 HydrophobicContact CB-CG2 3.68Å; V678-E682 HydrophobicContact CB-CB 4.41Å; V678-V688 HydrophobicContact CG1-CB 4.27Å; V678-V688 HydrophobicContact CG1-CG1 3.7Å
679G97.5Very high97.5Very high7 Ų740.2 Ų40.27%0.07222%0.222CC..  trans-118.7-170.6169.700000111.7K681 E682 I683G679-K681 VanDerWaalsContact C-N 3.25Å; G679-K681 PolarHBondContact O-N 3.46Å; G679-E682 WeakPolarHBondContact CA-OE2 3.43Å; G679-E682 PolarHBondContact N-OE2 2.84Å; G679-E682 PolarHBondContact O-N 3.38Å; G679-E682 VanDerWaalsContact O-N 3.15Å; G679-I683 VanDerWaalsContact O-CG1 3.31Å; G679-I683 WeakPolarHBondContact O-CG1 3.43Å; G679-I683 PolarHBondContact O-N 2.94Å
680E97.4Very high97.8Very high144 Ų14435.4 Ų35.467%0.67320%0.197SC*.Hα-helixtrans-58.1-37.1179.5-65.5178.8177.700113I683 A684E680-I683 PolarHBondContact O-N 3.5Å; E680-A684 PolarHBondContact O-N 3.14Å
681K97.3Very high98Very high127 Ų12733.8 Ų33.855%0.55218%0.184SC*.Hα-helixtrans-62.3-46.9176.5-170.8-166.6-177.6-152.50111.2G679 I683 A684 N685 E700G679-K681 VanDerWaalsContact C-N 3.25Å; G679-K681 PolarHBondContact O-N 3.46Å; K681-I683 VanDerWaalsContact C-N 3.32Å; K681-I683 PolarHBondContact O-N 3.09Å; K681-A684 PolarHBondContact O-N 2.81Å; K681-N685 PolarHBondContact O-N 2.71Å; K681-N685 PolarHBondContact O-ND2 3.11Å; K681-E700 WeakPolarHBondContact CE-OE2 3.39Å; K681-E700 IonicContact NZ-OE2 3.93Å; K681-E700 PolarHBondContact NZ-OE2 3.34Å
682E98.2Very high98Very high20 Ų2032 Ų329%0.09318%0.176CC..Hα-helixtrans-66.4-35.6179.8-73.672.6-145.100112.2V678 G679 N685 G686 T687V678-E682 HydrophobicContact CB-CB 4.41Å; G679-E682 WeakPolarHBondContact CA-OE2 3.43Å; G679-E682 PolarHBondContact N-OE2 2.84Å; G679-E682 PolarHBondContact O-N 3.38Å; G679-E682 VanDerWaalsContact O-N 3.15Å; E682-N685 PolarHBondContact O-N 3.27Å; E682-G686 PolarHBondContact O-N 2.99Å; E682-T687 VanDerWaalsContact CA-OG1 3.3Å; E682-T687 WeakPolarHBondContact CA-OG1 3.37Å; E682-T687 WeakPolarHBondContact CB-O 3.49Å; E682-T687 PolarHBondContact O-N 3.06Å; E682-T687 PolarHBondContact O-OG1 3.49Å
683I98Very high97.8Very high64 Ų6432.7 Ų32.733%0.32818%0.179SC..Hα-helixtrans-62.1-50.5173.4-66.5166.9000110.5C632 Y635 G679 E680 K681 N685 G686C632-I683 HydrophobicContact CB-CD1 3.76Å; C632-I683 VanDerWaalsContact SG-CD1 3.58Å; Y635-I683 HydrophobicContact CD1-CB 4.37Å; Y635-I683 HydrophobicContact CD1-CD1 4.49Å; Y635-I683 HydrophobicContact CD1-CG1 3.44Å; Y635-I683 VanDerWaalsContact CD1-CG1 3.44Å; Y635-I683 HydrophobicContact CD2-CG1 4.42Å; Y635-I683 HydrophobicContact CE1-CG1 4.15Å; Y635-I683 HydrophobicContact CG-CB 4.43Å; Y635-I683 HydrophobicContact CG-CG1 3.6Å; G679-I683 VanDerWaalsContact O-CG1 3.31Å; G679-I683 WeakPolarHBondContact O-CG1 3.43Å; G679-I683 PolarHBondContact O-N 2.94Å; E680-I683 PolarHBondContact O-N 3.5Å; K681-I683 VanDerWaalsContact C-N 3.32Å; K681-I683 PolarHBondContact O-N 3.09Å; I683-N685 PolarHBondContact O-N 2.75Å; I683-G686 PolarHBondContact O-N 2.94Å
684A97.1Very high97.6Very high83 Ų8338.1 Ų38.169%0.68621%0.208SC*.Hα-helixtrans-60.6-30.6-177.800000112.8E680 K681E680-A684 PolarHBondContact O-N 3.14Å; K681-A684 PolarHBondContact O-N 2.81Å
685N97.3Very high97.2Very high94 Ų9441.1 Ų41.150%0.50322%0.224SC..Hα-helixtrans-98.7-8-177.1-65.3-20.9000114.1K681 E682 I683 T687 E700K681-N685 PolarHBondContact O-N 2.71Å; K681-N685 PolarHBondContact O-ND2 3.11Å; E682-N685 PolarHBondContact O-N 3.27Å; I683-N685 PolarHBondContact O-N 2.75Å; N685-T687 VanDerWaalsContact C-N 3.31Å; N685-T687 HydrophobicContact CB-CG2 3.7Å; N685-E700 WeakPolarHBondContact CB-OE1 3.38Å; N685-E700 PolarHBondContact ND2-OE1 2.86Å
686G97.1Very high97.1Very high31 Ų3147.2 Ų47.232%0.3225%0.251SS..THydrogen-bonded Turntrans64.835.1-172.100000113.1Y635 E682 I683 V703Y635-G686 VanDerWaalsContact OH-CA 3.32Å; Y635-G686 WeakPolarHBondContact OH-CA 3.39Å; E682-G686 PolarHBondContact O-N 2.99Å; I683-G686 PolarHBondContact O-N 2.94Å; G686-V703 PolarHBondContact O-N 3.08Å
687T98.6Very high97Very high10 Ų1050.7 Ų50.76%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-118179.7-174.459.10000111.8Y635 E682 N685 E700 H701 P702Y635-T687 WeakPolarHBondContact CE1-O 3.5Å; Y635-T687 PolarHBondContact OH-N 3.26Å; Y635-T687 PolarHBondContact OH-O 3.32Å; E682-T687 VanDerWaalsContact CA-OG1 3.3Å; E682-T687 WeakPolarHBondContact CA-OG1 3.37Å; E682-T687 WeakPolarHBondContact CB-O 3.49Å; E682-T687 PolarHBondContact O-N 3.06Å; E682-T687 PolarHBondContact O-OG1 3.49Å; N685-T687 VanDerWaalsContact C-N 3.31Å; N685-T687 HydrophobicContact CB-CG2 3.7Å; T687-E700 VanDerWaalsContact CB-CG 3.49Å; T687-E700 HydrophobicContact CG2-CG 3.93Å; T687-E700 VanDerWaalsContact OG1-CD 3.32Å; T687-E700 VanDerWaalsContact OG1-CG 3.22Å; T687-E700 WeakPolarHBondContact OG1-CG 3.3Å; T687-E700 PolarHBondContact OG1-OE1 3.46Å; T687-H701 CarbonylContact C-O 3.54Å; T687-H701 WeakPolarHBondContact CA-O 3.29Å; T687-H701 VanDerWaalsContact CB-O 3.23Å; T687-H701 WeakPolarHBondContact CB-O 3.12Å; T687-P702 HydrophobicContact CG2-CG 4.43Å
688V98.6Very high96.8Very high0 Ų052.2 Ų52.20%028%0.278CS..EExtended strand (participates in β ladder)trans-140.8149.4169.8-640000109.4V639 L676 V678 V690 E700 H701 V703 V706V639-V688 HydrophobicContact CG1-CG1 3.83Å; V639-V688 HydrophobicContact CG2-CG1 4.13Å; L676-V688 HydrophobicContact CB-CB 4.19Å; L676-V688 HydrophobicContact CB-CG1 4.41Å; L676-V688 HydrophobicContact CB-CG2 4.48Å; L676-V688 HydrophobicContact CD1-CG2 4.25Å; L676-V688 HydrophobicContact CD2-CG2 4.07Å; L676-V688 HydrophobicContact CG-CG2 4.5Å; V678-V688 HydrophobicContact CG1-CB 4.27Å; V678-V688 HydrophobicContact CG1-CG1 3.7Å; V688-V690 HydrophobicContact CG2-CG2 3.99Å; V688-E700 CarbonylContact O-C 3.44Å; V688-E700 WeakPolarHBondContact O-CA 3.42Å; V688-H701 PolarHBondContact N-O 3.18Å; V688-H701 PolarHBondContact O-N 2.93Å; V688-V703 HydrophobicContact CG1-CG2 3.91Å; V688-V706 HydrophobicContact CG2-CG2 3.72Å
689N98.3Very high96.7Very high27 Ų2753.3 Ų53.314%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-89.2111.2169.5-170.7-89.4000110L676 V677 G699L676-N689 WeakPolarHBondContact CA-O 3.43Å; V677-N689 HydrophobicContact CB-CB 4.24Å; V677-N689 PolarHBondContact N-O 3.23Å; V677-N689 WeakPolarHBondContact O-CB 3.31Å; V677-N689 PolarHBondContact O-N 2.96Å; N689-G699 CarbonylContact C-O 3.48Å; N689-G699 WeakPolarHBondContact CA-O 3.14Å
690V98.4Very high96.7Very high0 Ų055.7 Ų55.70%030%0.299CS..EExtended strand (participates in β ladder)trans-86.2132-172.8-175.20000110.9F674 L676 V688 H698 G699 H701 V706 F725F674-V690 HydrophobicContact CD1-CG1 3.94Å; L676-V690 HydrophobicContact CD2-CB 4.17Å; L676-V690 HydrophobicContact CD2-CG1 4.02Å; L676-V690 HydrophobicContact CD2-CG2 3.84Å; V688-V690 HydrophobicContact CG2-CG2 3.99Å; V690-H698 HydrophobicContact CB-CB 4.19Å; V690-H698 HydrophobicContact CG1-CB 4.35Å; V690-H698 PolarHBondContact O-N 2.94Å; V690-G699 PolarHBondContact N-O 3.37Å; V690-H701 HydrophobicContact CG2-CB 4.13Å; V690-V706 HydrophobicContact CG2-CG2 3.91Å; V690-F725 HydrophobicContact CB-CE1 4.07Å; V690-F725 HydrophobicContact CB-CZ 4.36Å; V690-F725 HydrophobicContact CG1-CD1 4.11Å; V690-F725 HydrophobicContact CG1-CE1 3.67Å; V690-F725 HydrophobicContact CG1-CZ 3.92Å; V690-F725 HydrophobicContact CG2-CE1 4.05Å; V690-F725 HydrophobicContact CG2-CZ 3.92Å
691R98Very high96.8Very high50 Ų5051 Ų5119%0.18928%0.277CS..EExtended strand (participates in β ladder)trans-131.6146173.7-54176.9175.6-114.7-4.3110.3F674 I675 N695 K696 V697F674-R691 CarbonylContact C-O 3.53Å; F674-R691 VanDerWaalsContact CA-O 3.29Å; F674-R691 WeakPolarHBondContact CA-O 3.41Å; I675-R691 HydrophobicContact CB-CB 4.31Å; I675-R691 PolarHBondContact N-O 3.5Å; I675-R691 WeakPolarHBondContact O-CB 3.33Å; I675-R691 PolarHBondContact O-N 3.31Å; R691-N695 PolarHBondContact NH1-OD1 2.76Å; R691-N695 VanDerWaalsContact NH1-OD1 3.11Å; R691-K696 CarbonylContact C-O 3.51Å; R691-K696 VanDerWaalsContact CA-O 3.3Å; R691-K696 WeakPolarHBondContact CA-O 3.42Å; R691-V697 HydrophobicContact CG-CG2 4.24Å
692T97.3Very high96.8Very high6 Ų648.1 Ų48.14%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-84.1169.1172.469.80000111.6N673 F674 D694 N695 K696 H698 E722N673-T692 CarbonylContact O-C 3.45Å; N673-T692 WeakPolarHBondContact O-CA 3.17Å; F674-T692 HydrophobicContact CE1-CG2 4.44Å; T692-D694 PolarHBondContact O-N 2.92Å; T692-N695 WeakPolarHBondContact O-CA 3.46Å; T692-N695 PolarHBondContact O-N 3.03Å; T692-K696 HydrophobicContact CG2-CB 4.3Å; T692-K696 PolarHBondContact N-O 3.26Å; T692-K696 WeakPolarHBondContact OG1-CB 3.47Å; T692-K696 PolarHBondContact OG1-N 2.63Å; T692-H698 WeakPolarHBondContact CG2-NE2 3.42Å; T692-E722 HydrophobicContact CG2-CB 3.88Å; T692-E722 HydrophobicContact CG2-CG 4.37Å
693R94.7Very high96.8Very high17 Ų1747.3 Ų47.36%0.06427%0.268CS..THydrogen-bonded Turntrans-45.8-41.2170.6-176.2-176.8-73.7152.3-11.2113.8W614 Q668 Q671 N672 N673 N695 E722W614-R693 PolarHBondContact O-NH2 3.16Å; Q668-R693 VanDerWaalsContact CG-O 3.27Å; Q668-R693 WeakPolarHBondContact CG-O 3.42Å; Q668-R693 PolarHBondContact NE2-O 2.9Å; Q671-R693 PolarHBondContact O-NE 3.38Å; Q671-R693 PolarHBondContact O-NH2 3.08Å; N672-R693 WeakPolarHBondContact O-CA 3.31Å; N672-R693 VanDerWaalsContact O-CB 3.23Å; N672-R693 WeakPolarHBondContact O-CB 3.48Å; N673-R693 PolarHBondContact ND2-NH2 3.14Å; N673-R693 PolarHBondContact O-N 3.44Å; R693-N695 PolarHBondContact O-N 2.88Å; R693-E722 IonicContact CZ-OE1 3.56Å; R693-E722 VanDerWaalsContact CZ-OE1 3.31Å; R693-E722 IonicContact NE-OE1 3.43Å; R693-E722 IonicContact NH1-OE1 3.54Å; R693-E722 PolarHBondContact NH1-OE1 2.94Å; R693-E722 IonicContact NH2-OE1 2.74Å
694D93.3Very high96.8Very high113 Ų11349.2 Ų49.260%0.60428%0.275SS*.THydrogen-bonded Turntrans-87.413.1-179.7-63.9-37.5000113T692 K696T692-D694 PolarHBondContact O-N 2.92Å; D694-K696 VanDerWaalsContact C-N 3.29Å; D694-K696 PolarHBondContact O-N 3.08Å
695N90.9Very high96.9Very high64 Ų6450 Ų5034%0.34227%0.265SS..  trans6328.1178.9-170.348.6000114.1R691 T692 R693R691-N695 PolarHBondContact NH1-OD1 2.76Å; R691-N695 VanDerWaalsContact NH1-OD1 3.11Å; T692-N695 WeakPolarHBondContact O-CA 3.46Å; T692-N695 PolarHBondContact O-N 3.03Å; R693-N695 PolarHBondContact O-N 2.88Å
696K95.8Very high97Very high127 Ų12745.5 Ų45.555%0.55224%0.241SC*.  trans-72.5125.5163.9-172.8-176.8173.4-165.20108.4R691 T692 D694R691-K696 CarbonylContact C-O 3.51Å; R691-K696 VanDerWaalsContact CA-O 3.3Å; R691-K696 WeakPolarHBondContact CA-O 3.42Å; T692-K696 HydrophobicContact CG2-CB 4.3Å; T692-K696 PolarHBondContact N-O 3.26Å; T692-K696 WeakPolarHBondContact OG1-CB 3.47Å; T692-K696 PolarHBondContact OG1-N 2.63Å; D694-K696 VanDerWaalsContact C-N 3.29Å; D694-K696 PolarHBondContact O-N 3.08Å
697V96Very high97Very high74 Ų7444.2 Ų44.245%0.44823%0.227SC..EExtended strand (participates in β ladder)trans-91.1121.7-177.3-176.40000109.4R691R691-V697 HydrophobicContact CG-CG2 4.24Å
698H95.4Very high97Very high38 Ų3847.8 Ų47.818%0.17624%0.243CC..EExtended strand (participates in β ladder)trans-971.4177.4-74.6-127.6000112.4V690 T692 H701 E722 F725V690-H698 HydrophobicContact CB-CB 4.19Å; V690-H698 HydrophobicContact CG1-CB 4.35Å; V690-H698 PolarHBondContact O-N 2.94Å; T692-H698 WeakPolarHBondContact CG2-NE2 3.42Å; H698-H701 PolarHBondContact O-NE2 2.97Å; H698-E722 PolarHBondContact CE1-O 3.07Å; H698-F725 HydrophobicContact CB-CD1 4.2Å; H698-F725 HydrophobicContact CB-CE1 4.26Å; H698-F725 PolarHBondContact CE1-OXT 3.2Å; H698-F725 AromaticContact ND1-CD1 3.6Å; H698-F725 PolarHBondContact ND1-OXT 3.15Å
699G96Very high97Very high24 Ų2450.7 Ų50.725%0.24725%0.253CS..EExtended strand (participates in β ladder)trans85.7-164.1174.500000113.2N689 V690 H701N689-G699 CarbonylContact C-O 3.48Å; N689-G699 WeakPolarHBondContact CA-O 3.14Å; V690-G699 PolarHBondContact N-O 3.37Å; G699-H701 PolarHBondContact O-CD2 3.12Å
700E98Very high97Very high57 Ų5749.4 Ų49.427%0.26625%0.247SC..EExtended strand (participates in β ladder)trans-88.9128.5-176-175.1-179.1171.600111.1K681 N685 T687 V688K681-E700 WeakPolarHBondContact CE-OE2 3.39Å; K681-E700 IonicContact NZ-OE2 3.93Å; K681-E700 PolarHBondContact NZ-OE2 3.34Å; N685-E700 WeakPolarHBondContact CB-OE1 3.38Å; N685-E700 PolarHBondContact ND2-OE1 2.86Å; T687-E700 VanDerWaalsContact CB-CG 3.49Å; T687-E700 HydrophobicContact CG2-CG 3.93Å; T687-E700 VanDerWaalsContact OG1-CD 3.32Å; T687-E700 VanDerWaalsContact OG1-CG 3.22Å; T687-E700 WeakPolarHBondContact OG1-CG 3.3Å; T687-E700 PolarHBondContact OG1-OE1 3.46Å; V688-E700 CarbonylContact O-C 3.44Å; V688-E700 WeakPolarHBondContact O-CA 3.42Å
701H98.5Very high97Very high44 Ų4454.7 Ų54.720%0.20427%0.267CS..EExtended strand (participates in β ladder)trans-134.4141.6-179.5-69.8-92000111.2T687 V688 V690 H698 G699 H705 V706T687-H701 CarbonylContact C-O 3.54Å; T687-H701 WeakPolarHBondContact CA-O 3.29Å; T687-H701 VanDerWaalsContact CB-O 3.23Å; T687-H701 WeakPolarHBondContact CB-O 3.12Å; V688-H701 PolarHBondContact N-O 3.18Å; V688-H701 PolarHBondContact O-N 2.93Å; V690-H701 HydrophobicContact CG2-CB 4.13Å; H698-H701 PolarHBondContact O-NE2 2.97Å; G699-H701 PolarHBondContact O-CD2 3.12Å; H701-H705 AromaticContact ND1-CD2 3.69Å; H701-V706 HydrophobicContact CB-CG2 3.61Å
702P98.4Very high97Very high68 Ų6856.5 Ų56.544%0.44228%0.277SS..EExtended strand (participates in β ladder)trans-57.1139.7171.1-23.734000111.8T687 E704 H705 V706T687-P702 HydrophobicContact CG2-CG 4.43Å; P702-E704 VanDerWaalsContact C-N 3.26Å; P702-E704 PolarHBondContact O-N 3.05Å; P702-H705 HydrophobicContact CB-CB 4.09Å; P702-H705 HydrophobicContact CG-CB 4.35Å; P702-H705 WeakPolarHBondContact O-CB 3.47Å; P702-H705 PolarHBondContact O-N 3.05Å; P702-V706 PolarHBondContact O-N 3.21Å
703V98.4Very high97Very high3 Ų356.2 Ų56.22%0.01828%0.276CS..Hα-helixtrans-55.6-42.2-177.9176.10000111.8Y635 V639 G686 V688 H705 V706 I707Y635-V703 WeakPolarHBondContact OH-CG2 3.47Å; V639-V703 HydrophobicContact CG2-CG2 3.88Å; G686-V703 PolarHBondContact O-N 3.08Å; V688-V703 HydrophobicContact CG1-CG2 3.91Å; V703-H705 VanDerWaalsContact C-N 3.34Å; V703-H705 PolarHBondContact O-N 2.68Å; V703-V706 WeakPolarHBondContact O-CB 3.15Å; V703-V706 PolarHBondContact O-N 2.92Å; V703-I707 HydrophobicContact CG1-CD1 4.04Å; V703-I707 WeakPolarHBondContact O-CG1 3.4Å; V703-I707 PolarHBondContact O-N 3.3Å
704E98Very high97.2Very high103 Ų10356.8 Ų56.848%0.48128%0.284SS..Hα-helixtrans-65.5-35.5177.7-67-54.5134.600113R642 P702 V706 I707 E708R642-E704 IonicContact CZ-OE1 3.07Å; R642-E704 IonicContact NE-OE1 2.98Å; R642-E704 PolarHBondContact NE-OE1 3.31Å; R642-E704 IonicContact NH2-OE1 3.85Å; R642-E704 PolarHBondContact NH2-OE1 2.88Å; P702-E704 VanDerWaalsContact C-N 3.26Å; P702-E704 PolarHBondContact O-N 3.05Å; E704-V706 VanDerWaalsContact C-N 3.35Å; E704-I707 PolarHBondContact O-N 3.06Å; E704-E708 PolarHBondContact O-N 3.19Å
705H98.3Very high97.3Very high99 Ų9955.1 Ų55.146%0.45829%0.285SS..Hα-helixtrans-64.9-42.2174.6-179.187.4000110.9H701 P702 V703 E708 R709H701-H705 AromaticContact ND1-CD2 3.69Å; P702-H705 HydrophobicContact CB-CB 4.09Å; P702-H705 HydrophobicContact CG-CB 4.35Å; P702-H705 WeakPolarHBondContact O-CB 3.47Å; P702-H705 PolarHBondContact O-N 3.05Å; V703-H705 VanDerWaalsContact C-N 3.34Å; V703-H705 PolarHBondContact O-N 2.68Å; H705-E708 PolarHBondContact O-N 3.32Å; H705-R709 WeakPolarHBondContact O-CB 3.46Å; H705-R709 PolarHBondContact O-N 3.39Å
706V98.5Very high97.6Very high1 Ų155.2 Ų55.21%0.00629%0.292CS..Hα-helixtrans-62.3-44.9176.5176.70000111.1L676 V688 V690 H701 P702 V703 E704 E708 R709 F710 F725L676-V706 HydrophobicContact CD1-CG1 4.38Å; V688-V706 HydrophobicContact CG2-CG2 3.72Å; V690-V706 HydrophobicContact CG2-CG2 3.91Å; H701-V706 HydrophobicContact CB-CG2 3.61Å; P702-V706 PolarHBondContact O-N 3.21Å; V703-V706 WeakPolarHBondContact O-CB 3.15Å; V703-V706 PolarHBondContact O-N 2.92Å; E704-V706 VanDerWaalsContact C-N 3.35Å; V706-E708 VanDerWaalsContact C-N 3.34Å; V706-E708 PolarHBondContact O-N 3.21Å; V706-R709 PolarHBondContact O-N 2.86Å; V706-F710 HydrophobicContact CG1-CD1 4.35Å; V706-F710 HydrophobicContact CG1-CD2 3.92Å; V706-F710 HydrophobicContact CG1-CE1 3.94Å; V706-F710 HydrophobicContact CG1-CE2 3.42Å; V706-F710 VanDerWaalsContact CG1-CE2 3.42Å; V706-F710 HydrophobicContact CG1-CG 4.36Å; V706-F710 HydrophobicContact CG1-CZ 3.45Å; V706-F710 VanDerWaalsContact CG1-CZ 3.45Å; V706-F710 WeakPolarHBondContact O-CB 3.23Å; V706-F710 VanDerWaalsContact O-CG 3.27Å; V706-F710 WeakPolarHBondContact O-CG 3.3Å; V706-F710 PolarHBondContact O-N 3.41Å; V706-F725 HydrophobicContact CG1-CE2 4.4Å; V706-F725 HydrophobicContact CG2-CZ 4.25Å
707I98.7Very high97.7Very high4 Ų451.7 Ų51.72%0.02128%0.275CS..Hα-helixtrans-57.7-47.3176.2-72.3167.7000110.6R642 L643 A646 F648 V703 E704 F710 R711R642-I707 HydrophobicContact CB-CD1 4.24Å; L643-I707 HydrophobicContact CD2-CG1 3.73Å; L643-I707 HydrophobicContact CG-CG1 4.4Å; A646-I707 HydrophobicContact CB-CG1 4.5Å; A646-I707 HydrophobicContact CB-CG2 3.73Å; F648-I707 HydrophobicContact CE2-CG2 4.39Å; V703-I707 HydrophobicContact CG1-CD1 4.04Å; V703-I707 WeakPolarHBondContact O-CG1 3.4Å; V703-I707 PolarHBondContact O-N 3.3Å; E704-I707 PolarHBondContact O-N 3.06Å; I707-F710 PolarHBondContact O-N 3.45Å; I707-R711 VanDerWaalsContact CG2-CZ 3.45Å; I707-R711 WeakPolarHBondContact O-CG 3.44Å; I707-R711 PolarHBondContact O-N 2.91Å
708E98.4Very high97.7Very high84 Ų8449.1 Ų49.139%0.39326%0.259SS..Hα-helixtrans-65.4-41.3180-174.552.6-149.400112.1E704 H705 V706 F710 R711 Q712E704-E708 PolarHBondContact O-N 3.19Å; H705-E708 PolarHBondContact O-N 3.32Å; V706-E708 VanDerWaalsContact C-N 3.34Å; V706-E708 PolarHBondContact O-N 3.21Å; E708-F710 VanDerWaalsContact C-N 3.33Å; E708-F710 PolarHBondContact O-N 3.48Å; E708-R711 WeakPolarHBondContact O-CB 3.33Å; E708-R711 PolarHBondContact O-N 3.08Å; E708-R711 IonicContact OE2-NH1 2.86Å; E708-R711 PolarHBondContact OE2-NH1 3.25Å; E708-Q712 WeakPolarHBondContact O-CG 3.38Å; E708-Q712 PolarHBondContact O-N 3.27Å; E708-Q712 VanDerWaalsContact O-N 3.13Å
709R98Very high97.7Very high61 Ų6150 Ų5023%0.2327%0.265CS..Hα-helixtrans-62-42.4175-166.968.6-175130.62.6111.4H705 V706 R711 Q712 L713 E724 F725H705-R709 WeakPolarHBondContact O-CB 3.46Å; H705-R709 PolarHBondContact O-N 3.39Å; V706-R709 PolarHBondContact O-N 2.86Å; R709-R711 VanDerWaalsContact C-N 3.33Å; R709-R711 PolarHBondContact O-N 2.89Å; R709-Q712 WeakPolarHBondContact O-CB 3.27Å; R709-Q712 PolarHBondContact O-N 3.02Å; R709-L713 HydrophobicContact CG-CD1 4.35Å; R709-L713 WeakPolarHBondContact O-CG 3.23Å; R709-L713 PolarHBondContact O-N 3.42Å; R709-E724 PolarHBondContact NH2-O 3.26Å; R709-F725 HydrophobicContact CB-CD2 4.17Å; R709-F725 HydrophobicContact CB-CE2 3.79Å; R709-F725 HydrophobicContact CG-CD2 3.48Å; R709-F725 VanDerWaalsContact CG-CD2 3.48Å; R709-F725 HydrophobicContact CG-CE2 3.59Å; R709-F725 HydrophobicContact CG-CG 4.23Å; R709-F725 HydrophobicContact CG-CZ 4.4Å
710F98.6Very high97.7Very high0 Ų053.6 Ų53.60%028%0.275CS..Hα-helixtrans-63.3-36.2175.9-71.8-7.8000112.7F616 V623 L643 F648 F674 V706 I707 E708 Q712 L713 A714 F725F616-F710 HydrophobicContact CE1-CB 3.95Å; F616-F710 HydrophobicContact CE1-CD1 4.48Å; F616-F710 HydrophobicContact CE1-CG 4.27Å; F616-F710 WeakPolarHBondContact CE1-O 3.36Å; F616-F710 HydrophobicContact CE2-CD1 4.2Å; F616-F710 HydrophobicContact CE2-CD2 4.49Å; F616-F710 HydrophobicContact CE2-CE1 4.39Å; F616-F710 HydrophobicContact CE2-CG 4.25Å; F616-F710 HydrophobicContact CZ-CB 3.67Å; F616-F710 AromaticContact CZ-CD1 3.84Å; F616-F710 HydrophobicContact CZ-CD1 3.84Å; F616-F710 AromaticContact CZ-CD2 3.98Å; F616-F710 HydrophobicContact CZ-CD2 3.98Å; F616-F710 HydrophobicContact CZ-CE1 4.46Å; F616-F710 AromaticContact CZ-CG 3.56Å; F616-F710 HydrophobicContact CZ-CG 3.56Å; V623-F710 HydrophobicContact CG1-CE2 4.43Å; V623-F710 HydrophobicContact CG2-CD2 4.09Å; V623-F710 HydrophobicContact CG2-CE2 3.42Å; V623-F710 VanDerWaalsContact CG2-CE2 3.42Å; V623-F710 HydrophobicContact CG2-CZ 4.02Å; L643-F710 HydrophobicContact CD2-CD2 3.78Å; L643-F710 HydrophobicContact CD2-CE2 3.88Å; F648-F710 HydrophobicContact CD1-CB 4.29Å; F648-F710 HydrophobicContact CD2-CB 4.36Å; F648-F710 HydrophobicContact CD2-CD2 4.41Å; F648-F710 HydrophobicContact CE1-CB 3.66Å; F648-F710 HydrophobicContact CE2-CB 3.73Å; F648-F710 HydrophobicContact CE2-CD2 4.49Å; F648-F710 VanDerWaalsContact CZ-C 3.5Å; F648-F710 HydrophobicContact CZ-CB 3.35Å; F674-F710 HydrophobicContact CB-CE1 4.42Å; F674-F710 HydrophobicContact CB-CZ 3.92Å; F674-F710 HydrophobicContact CD1-CE1 4.24Å; F674-F710 HydrophobicContact CD1-CZ 4.5Å; F674-F710 HydrophobicContact CD2-CD1 4.32Å; F674-F710 AromaticContact CD2-CE1 3.43Å; F674-F710 HydrophobicContact CD2-CE1 3.43Å; F674-F710 VanDerWaalsContact CD2-CE1 3.43Å; F674-F710 AromaticContact CD2-CZ 3.69Å; F674-F710 HydrophobicContact CD2-CZ 3.69Å; F674-F710 HydrophobicContact CE1-CE1 4.4Å; F674-F710 HydrophobicContact CE2-CD1 4.21Å; F674-F710 AromaticContact CE2-CE1 3.62Å; F674-F710 HydrophobicContact CE2-CE1 3.62Å; F674-F710 HydrophobicContact CE2-CZ 4.35Å; F674-F710 AromaticContact CG-CE1 3.77Å; F674-F710 HydrophobicContact CG-CE1 3.77Å; F674-F710 AromaticContact CG-CZ 3.78Å; F674-F710 HydrophobicContact CG-CZ 3.78Å; F674-F710 HydrophobicContact CZ-CE1 4.11Å; V706-F710 HydrophobicContact CG1-CD1 4.35Å; V706-F710 HydrophobicContact CG1-CD2 3.92Å; V706-F710 HydrophobicContact CG1-CE1 3.94Å; V706-F710 HydrophobicContact CG1-CE2 3.42Å; V706-F710 VanDerWaalsContact CG1-CE2 3.42Å; V706-F710 HydrophobicContact CG1-CG 4.36Å; V706-F710 HydrophobicContact CG1-CZ 3.45Å; V706-F710 VanDerWaalsContact CG1-CZ 3.45Å; V706-F710 WeakPolarHBondContact O-CB 3.23Å; V706-F710 VanDerWaalsContact O-CG 3.27Å; V706-F710 WeakPolarHBondContact O-CG 3.3Å; V706-F710 PolarHBondContact O-N 3.41Å; I707-F710 PolarHBondContact O-N 3.45Å; E708-F710 VanDerWaalsContact C-N 3.33Å; E708-F710 PolarHBondContact O-N 3.48Å; F710-Q712 VanDerWaalsContact C-N 3.34Å; F710-Q712 PolarHBondContact O-N 3.26Å; F710-L713 HydrophobicContact CD1-CD1 4.29Å; F710-L713 PolarHBondContact O-N 2.97Å; F710-A714 WeakPolarHBondContact O-CB 3.29Å; F710-A714 PolarHBondContact O-N 3.45Å; F710-F725 HydrophobicContact CD1-CD2 4.12Å; F710-F725 HydrophobicContact CD1-CE2 4.01Å; F710-F725 AromaticContact CE1-CD2 3.77Å; F710-F725 HydrophobicContact CE1-CD2 3.77Å; F710-F725 AromaticContact CE1-CE2 3.62Å; F710-F725 HydrophobicContact CE1-CE2 3.62Å; F710-F725 HydrophobicContact CZ-CE2 4.5Å
711R98.3Very high97.6Very high112 Ų11250.9 Ų50.942%0.42326%0.263SS..Hα-helixtrans-61.9-43.7173.8-72-178.6-173.4125.72.1111.3F648 I707 E708 R709 A714 A715F648-R711 HydrophobicContact CE2-CG 4.38Å; F648-R711 HydrophobicContact CZ-CG 3.87Å; I707-R711 VanDerWaalsContact CG2-CZ 3.45Å; I707-R711 WeakPolarHBondContact O-CG 3.44Å; I707-R711 PolarHBondContact O-N 2.91Å; E708-R711 WeakPolarHBondContact O-CB 3.33Å; E708-R711 PolarHBondContact O-N 3.08Å; E708-R711 IonicContact OE2-NH1 2.86Å; E708-R711 PolarHBondContact OE2-NH1 3.25Å; R709-R711 VanDerWaalsContact C-N 3.33Å; R709-R711 PolarHBondContact O-N 2.89Å; R711-A714 PolarHBondContact O-N 3.02Å; R711-A715 VanDerWaalsContact O-CB 3.26Å; R711-A715 WeakPolarHBondContact O-CB 3.43Å; R711-A715 PolarHBondContact O-N 3.05Å
712Q98.1Very high97.5Very high87 Ų8749.6 Ų49.641%0.40726%0.257SS..Hα-helixtrans-62.3-45.4177.4-661695.700111.7E708 R709 F710 A715 S716E708-Q712 WeakPolarHBondContact O-CG 3.38Å; E708-Q712 PolarHBondContact O-N 3.27Å; E708-Q712 VanDerWaalsContact O-N 3.13Å; R709-Q712 WeakPolarHBondContact O-CB 3.27Å; R709-Q712 PolarHBondContact O-N 3.02Å; F710-Q712 VanDerWaalsContact C-N 3.34Å; F710-Q712 PolarHBondContact O-N 3.26Å; Q712-A715 PolarHBondContact O-N 3.01Å; Q712-S716 WeakPolarHBondContact O-CB 3.48Å; Q712-S716 PolarHBondContact O-N 3.39Å; Q712-S716 PolarHBondContact O-OG 3.5Å
713L98.1Very high97.3Very high1 Ų151.5 Ų51.51%0.00526%0.26CS..Hα-helixtrans-65.2-39.5178.4-66173.5000112.5F616 F674 R709 F710 S716 R717 T718 A721 E724 F725F616-L713 HydrophobicContact CD1-CB 3.96Å; F616-L713 HydrophobicContact CE1-CB 4.32Å; F674-L713 HydrophobicContact CE2-CD1 4.26Å; F674-L713 HydrophobicContact CZ-CD1 4.07Å; R709-L713 HydrophobicContact CG-CD1 4.35Å; R709-L713 WeakPolarHBondContact O-CG 3.23Å; R709-L713 PolarHBondContact O-N 3.42Å; F710-L713 HydrophobicContact CD1-CD1 4.29Å; F710-L713 PolarHBondContact O-N 2.97Å; L713-S716 PolarHBondContact O-OG 2.96Å; L713-R717 PolarHBondContact O-N 3.49Å; L713-T718 HydrophobicContact CD2-CG2 4.02Å; L713-A721 HydrophobicContact CB-CB 4.4Å; L713-A721 HydrophobicContact CD1-CB 4.27Å; L713-A721 HydrophobicContact CD2-CB 4.26Å; L713-E724 HydrophobicContact CD2-CB 3.9Å; L713-F725 HydrophobicContact CD1-CB 4.17Å; L713-F725 HydrophobicContact CD1-CD2 4.01Å
714A97.1Very high97.2Very high29 Ų2955.6 Ų55.624%0.2428%0.279CS..Hα-helixtrans-67.5-40.8175.500000111.9F616 F648 F710 R711 R717F616-A714 HydrophobicContact CD1-CB 4.38Å; F616-A714 HydrophobicContact CE1-CB 4.19Å; F648-A714 HydrophobicContact CE1-CB 4.33Å; F710-A714 WeakPolarHBondContact O-CB 3.29Å; F710-A714 PolarHBondContact O-N 3.45Å; R711-A714 PolarHBondContact O-N 3.02Å; A714-R717 PolarHBondContact O-N 3.17Å
715A96.4Very high97Very high77 Ų7752.4 Ų52.464%0.63626%0.263SS*.Hα-helixtrans-70.5-36.7179.700000113R711 Q712 R717R711-A715 VanDerWaalsContact O-CB 3.26Å; R711-A715 WeakPolarHBondContact O-CB 3.43Å; R711-A715 PolarHBondContact O-N 3.05Å; Q712-A715 PolarHBondContact O-N 3.01Å; A715-R717 PolarHBondContact O-N 2.67Å
716S96.8Very high97Very high67 Ų6750.1 Ų50.147%0.46925%0.254SS..Hα-helixtrans-71-20.6177.171.70000112.9Q712 L713 T718Q712-S716 WeakPolarHBondContact O-CB 3.48Å; Q712-S716 PolarHBondContact O-N 3.39Å; Q712-S716 PolarHBondContact O-OG 3.5Å; L713-S716 PolarHBondContact O-OG 2.96Å; S716-T718 PolarHBondContact O-N 3.28Å; S716-T718 PolarHBondContact OG-N 2.98Å
717R97.1Very high96.9Very high52 Ų5252.7 Ų52.720%0.19627%0.267CS..THydrogen-bonded Turntrans56.129-176.1-55.4167.3-175.1160.6-8.7112.2E334 Y456 V460 W617 L713 A714 A715E334-R717 IonicContact OE1-CZ 2.84Å; E334-R717 IonicContact OE1-NH1 3.45Å; E334-R717 PolarHBondContact OE1-NH1 3.49Å; E334-R717 IonicContact OE1-NH2 3.8Å; Y456-R717 PolarHBondContact OH-NH1 3.26Å; V460-R717 HydrophobicContact CG1-CB 4.09Å; W617-R717 HydrophobicContact CD2-CB 4.28Å; W617-R717 HydrophobicContact CD2-CG 4.3Å; W617-R717 HydrophobicContact CG-CB 4.13Å; W617-R717 HydrophobicContact CG-CG 4.33Å; W617-R717 PolarHBondContact NE1-O 3.29Å; L713-R717 PolarHBondContact O-N 3.49Å; A714-R717 PolarHBondContact O-N 3.17Å; A715-R717 PolarHBondContact O-N 2.67Å
718T96.5Very high96.8Very high21 Ų2155.4 Ų55.413%0.12928%0.28CS..  trans-61.1145.7179.9-177.20000111.6L713 S716 E720 A721 E724L713-T718 HydrophobicContact CD2-CG2 4.02Å; S716-T718 PolarHBondContact O-N 3.28Å; S716-T718 PolarHBondContact OG-N 2.98Å; T718-E720 VanDerWaalsContact C-N 3.34Å; T718-E720 PolarHBondContact OG1-N 2.9Å; T718-E720 VanDerWaalsContact OG1-N 3.11Å; T718-A721 HydrophobicContact CG2-CB 3.85Å; T718-E724 VanDerWaalsContact CB-OE1 3.31Å; T718-E724 WeakPolarHBondContact CB-OE1 3.21Å; T718-E724 PolarHBondContact OG1-OE1 2.96Å
719L96.1Very high96.7Very high57 Ų5753.7 Ų53.730%0.29827%0.274SS..SBendtrans-83.3-14.3172.2-59.9-179.3000112.3Y610 P615Y610-L719 HydrophobicContact CE1-CD2 4.28Å; P615-L719 HydrophobicContact CB-CD2 3.9Å; P615-L719 HydrophobicContact CG-CD2 4.03Å
720E95.3Very high96.6Very high99 Ų9953.3 Ų53.346%0.46328%0.276SS..  trans-11839.7-171.6-59-64.8145.300111.5T718 E722 Q723 E724T718-E720 VanDerWaalsContact C-N 3.34Å; T718-E720 PolarHBondContact OG1-N 2.9Å; T718-E720 VanDerWaalsContact OG1-N 3.11Å; E720-E722 VanDerWaalsContact C-N 3.27Å; E720-E722 PolarHBondContact O-N 3.46Å; E720-Q723 HydrophobicContact CB-CB 4.34Å; E720-Q723 PolarHBondContact O-N 3.29Å; E720-Q723 PolarHBondContact O-OE1 3.37Å; E720-Q723 PolarHBondContact OE2-NE2 3.13Å; E720-Q723 PolarHBondContact OE2-OE1 3.11Å; E720-E724 PolarHBondContact O-N 3.19Å
721A96.9Very high96.5Very high0 Ų056.8 Ų56.80%030%0.295CS..Hα-helixtrans-58.6-37.7-17300000113F616 L713 T718 Q723 E724 F725F616-A721 HydrophobicContact CB-CB 3.41Å; F616-A721 VanDerWaalsContact CB-CB 3.41Å; F616-A721 HydrophobicContact CG-CB 4.25Å; L713-A721 HydrophobicContact CB-CB 4.4Å; L713-A721 HydrophobicContact CD1-CB 4.27Å; L713-A721 HydrophobicContact CD2-CB 4.26Å; T718-A721 HydrophobicContact CG2-CB 3.85Å; A721-Q723 VanDerWaalsContact C-N 3.32Å; A721-Q723 PolarHBondContact O-N 2.95Å; A721-E724 PolarHBondContact O-N 3.16Å; A721-F725 WeakPolarHBondContact O-CB 3.45Å; A721-F725 PolarHBondContact O-N 3.12Å
722E96.3Very high96.4Very high16 Ų1652.9 Ų52.98%0.07529%0.286CS..Hα-helixtrans-65.6-31.2177.2-67.994.5143.800113.4N673 F674 T692 R693 H698 E720N673-E722 HydrophobicContact CB-CG 4.49Å; N673-E722 PolarHBondContact ND2-OE1 2.89Å; N673-E722 WeakPolarHBondContact O-CG 3.46Å; F674-E722 HydrophobicContact CZ-CG 4.38Å; T692-E722 HydrophobicContact CG2-CB 3.88Å; T692-E722 HydrophobicContact CG2-CG 4.37Å; R693-E722 IonicContact CZ-OE1 3.56Å; R693-E722 VanDerWaalsContact CZ-OE1 3.31Å; R693-E722 IonicContact NE-OE1 3.43Å; R693-E722 IonicContact NH1-OE1 3.54Å; R693-E722 PolarHBondContact NH1-OE1 2.94Å; R693-E722 IonicContact NH2-OE1 2.74Å; H698-E722 PolarHBondContact CE1-O 3.07Å; E720-E722 VanDerWaalsContact C-N 3.27Å; E720-E722 PolarHBondContact O-N 3.46Å
723Q94.6Very high96.2Very high109 Ų10950.2 Ų50.251%0.50928%0.276SS..Hα-helixtrans-82.2-36.8177.9-67.478.4-9.900111.2E720 A721E720-Q723 HydrophobicContact CB-CB 4.34Å; E720-Q723 PolarHBondContact O-N 3.29Å; E720-Q723 PolarHBondContact O-OE1 3.37Å; E720-Q723 PolarHBondContact OE2-NE2 3.13Å; E720-Q723 PolarHBondContact OE2-OE1 3.11Å; A721-Q723 VanDerWaalsContact C-N 3.32Å; A721-Q723 PolarHBondContact O-N 2.95Å
724E95.4Very high96.1Very high89 Ų8954.3 Ų54.342%0.41630%0.299SS..Hα-helixtrans-75.7-30.4179.8-74.3-177.2-149.200113.3R709 L713 T718 E720 A721R709-E724 PolarHBondContact NH2-O 3.26Å; L713-E724 HydrophobicContact CD2-CB 3.9Å; T718-E724 VanDerWaalsContact CB-OE1 3.31Å; T718-E724 WeakPolarHBondContact CB-OE1 3.21Å; T718-E724 PolarHBondContact OG1-OE1 2.96Å; E720-E724 PolarHBondContact O-N 3.19Å; A721-E724 PolarHBondContact O-N 3.16Å
725F94.4Very high96Very high36 Ų3656.6 Ų56.616%0.15830%0.304CS..  trans-53.50177.6-174.9-79.7000111.6F674 V690 H698 V706 R709 F710 L713 A721F674-F725 HydrophobicContact CE1-CB 3.65Å; F674-F725 HydrophobicContact CE1-CD1 4.43Å; F674-F725 AromaticContact CE1-CD2 3.92Å; F674-F725 HydrophobicContact CE1-CD2 3.92Å; F674-F725 AromaticContact CE1-CG 3.73Å; F674-F725 HydrophobicContact CE1-CG 3.73Å; F674-F725 HydrophobicContact CZ-CB 3.72Å; F674-F725 AromaticContact CZ-CD2 3.98Å; F674-F725 HydrophobicContact CZ-CD2 3.98Å; F674-F725 HydrophobicContact CZ-CG 4.05Å; V690-F725 HydrophobicContact CB-CE1 4.07Å; V690-F725 HydrophobicContact CB-CZ 4.36Å; V690-F725 HydrophobicContact CG1-CD1 4.11Å; V690-F725 HydrophobicContact CG1-CE1 3.67Å; V690-F725 HydrophobicContact CG1-CZ 3.92Å; V690-F725 HydrophobicContact CG2-CE1 4.05Å; V690-F725 HydrophobicContact CG2-CZ 3.92Å; H698-F725 HydrophobicContact CB-CD1 4.2Å; H698-F725 HydrophobicContact CB-CE1 4.26Å; H698-F725 PolarHBondContact CE1-OXT 3.2Å; H698-F725 AromaticContact ND1-CD1 3.6Å; H698-F725 PolarHBondContact ND1-OXT 3.15Å; V706-F725 HydrophobicContact CG1-CE2 4.4Å; V706-F725 HydrophobicContact CG2-CZ 4.25Å; R709-F725 HydrophobicContact CB-CD2 4.17Å; R709-F725 HydrophobicContact CB-CE2 3.79Å; R709-F725 HydrophobicContact CG-CD2 3.48Å; R709-F725 VanDerWaalsContact CG-CD2 3.48Å; R709-F725 HydrophobicContact CG-CE2 3.59Å; R709-F725 HydrophobicContact CG-CG 4.23Å; R709-F725 HydrophobicContact CG-CZ 4.4Å; F710-F725 HydrophobicContact CD1-CD2 4.12Å; F710-F725 HydrophobicContact CD1-CE2 4.01Å; F710-F725 AromaticContact CE1-CD2 3.77Å; F710-F725 HydrophobicContact CE1-CD2 3.77Å; F710-F725 AromaticContact CE1-CE2 3.62Å; F710-F725 HydrophobicContact CE1-CE2 3.62Å; F710-F725 HydrophobicContact CZ-CE2 4.5Å; L713-F725 HydrophobicContact CD1-CB 4.17Å; L713-F725 HydrophobicContact CD1-CD2 4.01Å; A721-F725 WeakPolarHBondContact O-CB 3.45Å; A721-F725 PolarHBondContact O-N 3.12Å

Retrieved 725 of 725 residues in 323.8 ms (Link to these results)

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